| 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 | 60.8 | Low | 69.1 | Low | 75 Ų | 75 | 93.3 Ų | 93.3 | 37% | 0.369 | 47% | 0.471 | S | S | . | . | 0 | -69.2 | 0 | -59.6 | -61.6 | -102.9 | 0 | 0 | 111.4 | I3 A4 S5 Q102 L103 F106 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.18Å; M1-A4 WeakPolarHBondContact O-CA 3.41Å; M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.04Å; M1-S5 PolarHBondContact O-N 3.1Å; M1-Q102 HydrophobicContact CE-CB 3.85Å; M1-L103 HydrophobicContact CE-CD2 4.41Å; M1-L103 HydrophobicContact SD-CD2 4.13Å; M1-F106 HydrophobicContact CB-CZ 4.25Å; M1-F106 HydrophobicContact CE-CD2 4.3Å; M1-F106 HydrophobicContact CE-CE2 3.28Å; M1-F106 HydrophobicContact CE-CZ 3.79Å; M1-F106 HydrophobicContact SD-CD2 4.48Å; M1-F106 HydrophobicContact SD-CE2 3.58Å; M1-F106 VanDerWaalsContact SD-CE2 3.58Å; M1-F106 HydrophobicContact SD-CZ 3.67Å | |||
| 2 | L | 70.1 | Confident | 70.1 | Confident | 151 Ų | 151 | 86.4 Ų | 86.4 | 79% | 0.791 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34 | 178.9 | -81.5 | 162 | 0 | 0 | 0 | 115.2 | S5 | L2-S5 PolarHBondContact O-OG 2.82Š|
| 3 | I | 67.5 | Low | 71 | Confident | 69 Ų | 69 | 89.7 Ų | 89.7 | 35% | 0.354 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -35.8 | 174.7 | -60.1 | 171.8 | 0 | 0 | 0 | 110.4 | M1 S5 K6 D11 F12 A15 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.18Å; I3-S5 VanDerWaalsContact C-N 3.3Å; I3-S5 PolarHBondContact O-N 2.97Å; I3-K6 WeakPolarHBondContact O-CB 3.5Å; I3-K6 PolarHBondContact O-N 3.03Å; I3-D11 HydrophobicContact CG2-CB 3.95Å; I3-F12 HydrophobicContact CG2-CB 4.22Å; I3-A15 HydrophobicContact CD1-CB 3.61Å |
| 4 | A | 61.6 | Low | 71.9 | Confident | 4 Ų | 4 | 91 Ų | 91 | 3% | 0.033 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -64.7 | -33.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 K6 Q7 F12 V57 F106 | M1-A4 WeakPolarHBondContact O-CA 3.41Å; M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.04Å; A4-K6 PolarHBondContact O-N 2.86Å; A4-Q7 PolarHBondContact O-N 3.15Å; A4-F12 HydrophobicContact CB-CD2 4.24Å; A4-F12 HydrophobicContact CB-CE2 4.41Å; A4-V57 HydrophobicContact CB-CB 4.49Å; A4-V57 HydrophobicContact CB-CG1 4.07Å; A4-V57 HydrophobicContact CB-CG2 3.52Å; A4-F106 HydrophobicContact CB-CE1 4.39Å |
| 5 | S | 66.4 | Low | 72.7 | Confident | 73 Ų | 73 | 87.3 Ų | 87.3 | 51% | 0.51 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -66.5 | -14.3 | 173.9 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | M1 L2 I3 Q7 | M1-S5 PolarHBondContact O-N 3.1Å; L2-S5 PolarHBondContact O-OG 2.82Å; I3-S5 VanDerWaalsContact C-N 3.3Å; I3-S5 PolarHBondContact O-N 2.97Å; S5-Q7 VanDerWaalsContact C-N 3.35Å |
| 6 | K | 69.9 | Low | 73.6 | Confident | 170 Ų | 170 | 82.3 Ų | 82.3 | 74% | 0.739 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -89.2 | 1.9 | 173.1 | -61.9 | -173.6 | 177 | -174.8 | 0 | 113.3 | I3 A4 N8 | I3-K6 WeakPolarHBondContact O-CB 3.5Å; I3-K6 PolarHBondContact O-N 3.03Å; A4-K6 PolarHBondContact O-N 2.86Å; K6-N8 PolarHBondContact O-N 3.16Å |
| 7 | Q | 64.8 | Low | 74.4 | Confident | 137 Ų | 137 | 80.2 Ų | 80.2 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 20.7 | 178.3 | -64.6 | -176.7 | -20.2 | 0 | 0 | 115.9 | A4 S5 I61 | A4-Q7 PolarHBondContact O-N 3.15Å; S5-Q7 VanDerWaalsContact C-N 3.35Å; Q7-I61 WeakPolarHBondContact O-CD1 3.38Å |
| 8 | N | 71.8 | Confident | 75.3 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 33% | 0.332 | 42% | 0.423 | S | S | . | . | trans | -94.4 | 107.6 | 174.7 | -167.2 | -11 | 0 | 0 | 0 | 111.2 | K6 E10 D11 F12 | K6-N8 PolarHBondContact O-N 3.16Å; N8-E10 PolarHBondContact OD1-N 3.28Å; N8-D11 HydrophobicContact CB-CB 4.13Å; N8-D11 PolarHBondContact ND2-OD2 3.28Å; N8-F12 WeakPolarHBondContact O-CB 3.38Å; N8-F12 PolarHBondContact O-N 3.46Å; N8-F12 VanDerWaalsContact O-N 3.16Å | ||
| 9 | L | 71.8 | Confident | 76 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | -178.3 | -161.5 | 81.6 | 0 | 0 | 0 | 112.6 | F12 R13 E58 I61 | L9-F12 PolarHBondContact O-N 3.03Å; L9-R13 WeakPolarHBondContact O-CG 3.34Å; L9-R13 PolarHBondContact O-N 3.4Å; L9-E58 HydrophobicContact CD1-CB 4.46Å; L9-E58 HydrophobicContact CD1-CG 3.83Å; L9-I61 HydrophobicContact CB-CD1 3.8Å; L9-I61 HydrophobicContact CD1-CD1 3.56Å; L9-I61 HydrophobicContact CG-CD1 4.31Å |
| 10 | E | 76.5 | Confident | 76.8 | Confident | 150 Ų | 150 | 81.1 Ų | 81.1 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.4 | -50.2 | -177.7 | -85.4 | -174.4 | 151.5 | 0 | 0 | 110.8 | N8 F12 R13 V14 | N8-E10 PolarHBondContact OD1-N 3.28Å; E10-F12 PolarHBondContact O-N 2.73Å; E10-R13 PolarHBondContact O-N 2.76Å; E10-R13 VanDerWaalsContact O-N 3.16Å; E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.47Å; E10-V14 PolarHBondContact O-N 3.05Å |
| 11 | D | 78.9 | Confident | 77.5 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59 | -38.1 | 176.4 | -71.5 | -13.9 | 0 | 0 | 0 | 111.5 | I3 N8 A15 | I3-D11 HydrophobicContact CG2-CB 3.95Å; N8-D11 HydrophobicContact CB-CB 4.13Å; N8-D11 PolarHBondContact ND2-OD2 3.28Å; D11-A15 VanDerWaalsContact O-CB 3.28Å; D11-A15 WeakPolarHBondContact O-CB 3.49Å; D11-A15 PolarHBondContact O-N 2.85Å |
| 12 | F | 81.3 | Confident | 78.9 | Confident | 11 Ų | 11 | 84.8 Ų | 84.8 | 5% | 0.048 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.8 | -46 | 177.2 | 177.8 | -100.2 | 0 | 0 | 0 | 112 | I3 A4 N8 L9 E10 V14 A15 V16 I53 E54 V57 | I3-F12 HydrophobicContact CG2-CB 4.22Å; A4-F12 HydrophobicContact CB-CD2 4.24Å; A4-F12 HydrophobicContact CB-CE2 4.41Å; N8-F12 WeakPolarHBondContact O-CB 3.38Å; N8-F12 PolarHBondContact O-N 3.46Å; N8-F12 VanDerWaalsContact O-N 3.16Å; L9-F12 PolarHBondContact O-N 3.03Å; E10-F12 PolarHBondContact O-N 2.73Å; F12-V14 VanDerWaalsContact C-N 3.34Å; F12-V14 PolarHBondContact O-N 3.35Å; F12-A15 PolarHBondContact O-N 3.31Å; F12-V16 HydrophobicContact CD1-CG2 4.2Å; F12-V16 HydrophobicContact CD2-CG2 4.16Å; F12-V16 HydrophobicContact CE1-CG2 3.73Å; F12-V16 HydrophobicContact CE2-CG2 3.67Å; F12-V16 HydrophobicContact CG-CG2 4.4Å; F12-V16 HydrophobicContact CZ-CG2 3.43Å; F12-V16 VanDerWaalsContact CZ-CG2 3.43Å; F12-V16 VanDerWaalsContact O-CG2 3.29Å; F12-V16 WeakPolarHBondContact O-CG2 3.25Å; F12-V16 PolarHBondContact O-N 3.21Å; F12-I53 HydrophobicContact CE2-CG2 4.15Å; F12-I53 HydrophobicContact CZ-CG2 3.8Å; F12-E54 HydrophobicContact CE1-CB 4.24Å; F12-E54 HydrophobicContact CE1-CG 3.76Å; F12-E54 HydrophobicContact CZ-CG 4.11Å; F12-V57 HydrophobicContact CD1-CB 4.27Å; F12-V57 HydrophobicContact CD1-CG1 3.81Å; F12-V57 HydrophobicContact CD2-CG1 4.46Å; F12-V57 HydrophobicContact CE1-CB 3.99Å; F12-V57 HydrophobicContact CE1-CG1 4.05Å; F12-V57 HydrophobicContact CE1-CG2 4.26Å; F12-V57 HydrophobicContact CE2-CG2 4.23Å; F12-V57 HydrophobicContact CG-CG1 4.03Å; F12-V57 HydrophobicContact CZ-CB 4.25Å; F12-V57 HydrophobicContact CZ-CG1 4.49Å; F12-V57 HydrophobicContact CZ-CG2 4Å |
| 13 | R | 81.2 | Confident | 79.7 | Confident | 129 Ų | 129 | 78.3 Ų | 78.3 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.4 | -77.5 | -179.8 | 172.1 | 174.2 | -0.4 | 111.9 | L9 E10 A15 V16 A17 E58 | L9-R13 WeakPolarHBondContact O-CG 3.34Å; L9-R13 PolarHBondContact O-N 3.4Å; E10-R13 PolarHBondContact O-N 2.76Å; E10-R13 VanDerWaalsContact O-N 3.16Å; R13-A15 VanDerWaalsContact C-N 3.32Å; R13-A15 PolarHBondContact O-N 3.08Å; R13-V16 PolarHBondContact O-N 3.24Å; R13-A17 PolarHBondContact O-N 3.16Å; R13-A17 VanDerWaalsContact O-N 3.12Å; R13-E58 IonicContact CZ-OE1 2.73Å; R13-E58 IonicContact NE-OE1 3.91Å; R13-E58 IonicContact NH2-OE1 2.65Å; R13-E58 PolarHBondContact NH2-OE1 3.03Å |
| 14 | V | 84.4 | Confident | 80.6 | Confident | 108 Ų | 108 | 77.4 Ų | 77.4 | 66% | 0.655 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | 175.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | E10 F12 P18 | E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.47Å; E10-V14 PolarHBondContact O-N 3.05Å; F12-V14 VanDerWaalsContact C-N 3.34Å; F12-V14 PolarHBondContact O-N 3.35Å; V14-P18 WeakPolarHBondContact O-CD 3.35Å |
| 15 | A | 84.3 | Confident | 81.8 | Confident | 35 Ų | 35 | 83.5 Ų | 83.5 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.3 | -30.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I3 D11 F12 R13 P18 | I3-A15 HydrophobicContact CD1-CB 3.61Å; D11-A15 VanDerWaalsContact O-CB 3.28Å; D11-A15 WeakPolarHBondContact O-CB 3.49Å; D11-A15 PolarHBondContact O-N 2.85Å; F12-A15 PolarHBondContact O-N 3.31Å; R13-A15 VanDerWaalsContact C-N 3.32Å; R13-A15 PolarHBondContact O-N 3.08Å; A15-P18 WeakPolarHBondContact O-CD 3.49Å; A15-P18 WeakPolarHBondContact O-CG 3.34Å |
| 16 | V | 86.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 83.3 Ų | 83.3 | 5% | 0.048 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -78.2 | -35.2 | -179.6 | 172 | 0 | 0 | 0 | 0 | 112.5 | F12 R13 V19 R20 L50 E54 | F12-V16 HydrophobicContact CD1-CG2 4.2Å; F12-V16 HydrophobicContact CD2-CG2 4.16Å; F12-V16 HydrophobicContact CE1-CG2 3.73Å; F12-V16 HydrophobicContact CE2-CG2 3.67Å; F12-V16 HydrophobicContact CG-CG2 4.4Å; F12-V16 HydrophobicContact CZ-CG2 3.43Å; F12-V16 VanDerWaalsContact CZ-CG2 3.43Å; F12-V16 VanDerWaalsContact O-CG2 3.29Å; F12-V16 WeakPolarHBondContact O-CG2 3.25Å; F12-V16 PolarHBondContact O-N 3.21Å; R13-V16 PolarHBondContact O-N 3.24Å; V16-V19 WeakPolarHBondContact O-CB 3.24Å; V16-V19 PolarHBondContact O-N 3.45Å; V16-V19 VanDerWaalsContact O-N 3.1Å; V16-R20 PolarHBondContact O-N 3.08Å; V16-L50 HydrophobicContact CG1-CD1 3.89Å; V16-L50 HydrophobicContact CG1-CD2 3.87Å; V16-L50 HydrophobicContact CG1-CG 3.87Å; V16-E54 HydrophobicContact CG1-CG 3.98Å; V16-E54 WeakPolarHBondContact CG1-OE1 3.38Å; V16-E54 HydrophobicContact CG2-CG 4.32Å |
| 17 | A | 87.4 | Confident | 83.1 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -49.8 | -51.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R13 V19 R20 S21 | R13-A17 PolarHBondContact O-N 3.16Å; R13-A17 VanDerWaalsContact O-N 3.12Å; A17-V19 VanDerWaalsContact C-N 3.33Å; A17-V19 PolarHBondContact O-N 3.13Å; A17-R20 PolarHBondContact O-N 3.22Å; A17-S21 PolarHBondContact O-N 3.16Å; A17-S21 PolarHBondContact O-OG 3.34Å |
| 18 | P | 90.2 | Very high | 83.9 | Confident | 79 Ų | 79 | 73 Ų | 73 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 179 | 24.3 | -32.9 | 0 | 0 | 0 | 112.7 | V14 A15 S21 R22 | V14-P18 WeakPolarHBondContact O-CD 3.35Å; A15-P18 WeakPolarHBondContact O-CD 3.49Å; A15-P18 WeakPolarHBondContact O-CG 3.34Å; P18-S21 PolarHBondContact O-N 3.03Å; P18-R22 WeakPolarHBondContact O-CB 3.42Å; P18-R22 PolarHBondContact O-N 3.41Å |
| 19 | V | 89.4 | Confident | 84 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | V16 A17 R22 I23 L50 | V16-V19 WeakPolarHBondContact O-CB 3.24Å; V16-V19 PolarHBondContact O-N 3.45Å; V16-V19 VanDerWaalsContact O-N 3.1Å; A17-V19 VanDerWaalsContact C-N 3.33Å; A17-V19 PolarHBondContact O-N 3.13Å; V19-R22 PolarHBondContact O-N 3.42Å; V19-I23 HydrophobicContact CG1-CD1 4.09Å; V19-I23 WeakPolarHBondContact O-CG1 3.44Å; V19-I23 PolarHBondContact O-N 3.42Å; V19-I23 VanDerWaalsContact O-N 3.08Å; V19-L50 HydrophobicContact CG1-CD1 4.17Å; V19-L50 HydrophobicContact CG1-CD2 4.46Å |
| 20 | R | 91.3 | Very high | 83.7 | Confident | 109 Ų | 109 | 74 Ų | 74 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 176.7 | -169.1 | -174.4 | -69.4 | 141.9 | -7 | 111.4 | V16 A17 R22 I23 A24 L47 L50 E54 | V16-R20 PolarHBondContact O-N 3.08Å; A17-R20 PolarHBondContact O-N 3.22Å; R20-R22 VanDerWaalsContact C-N 3.34Å; R20-R22 PolarHBondContact O-N 2.91Å; R20-I23 PolarHBondContact O-N 3.38Å; R20-A24 PolarHBondContact O-N 3.15Å; R20-L47 HydrophobicContact CG-CD2 4.09Å; R20-L50 HydrophobicContact CB-CD2 3.81Å; R20-L50 HydrophobicContact CG-CD2 4.23Å; R20-E54 IonicContact CZ-OE1 3.18Å; R20-E54 IonicContact CZ-OE2 3.62Å; R20-E54 IonicContact NH2-OE1 2.82Å; R20-E54 PolarHBondContact NH2-OE1 3.12Å; R20-E54 IonicContact NH2-OE2 2.63Å; R20-E54 PolarHBondContact NH2-OE2 2.98Å |
| 21 | S | 91 | Very high | 83.3 | Confident | 67 Ų | 67 | 72.1 Ų | 72.1 | 47% | 0.469 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 177.5 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | A17 P18 I23 A24 E25 | A17-S21 PolarHBondContact O-N 3.16Å; A17-S21 PolarHBondContact O-OG 3.34Å; P18-S21 PolarHBondContact O-N 3.03Å; S21-I23 PolarHBondContact O-N 3.43Å; S21-A24 WeakPolarHBondContact O-CB 3.21Å; S21-A24 PolarHBondContact O-N 2.65Å; S21-A24 VanDerWaalsContact O-N 3.15Å; S21-E25 WeakPolarHBondContact O-CG 3.45Å; S21-E25 PolarHBondContact O-N 3.09Å |
| 22 | R | 90.3 | Very high | 82.7 | Confident | 167 Ų | 167 | 75.4 Ų | 75.4 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.7 | -42.7 | 176.6 | -173.7 | 176.3 | 178.7 | 161.6 | 4.5 | 112.7 | P18 V19 R20 A24 E25 E26 | P18-R22 WeakPolarHBondContact O-CB 3.42Å; P18-R22 PolarHBondContact O-N 3.41Å; V19-R22 PolarHBondContact O-N 3.42Å; R20-R22 VanDerWaalsContact C-N 3.34Å; R20-R22 PolarHBondContact O-N 2.91Å; R22-A24 VanDerWaalsContact C-N 3.32Å; R22-A24 PolarHBondContact O-N 3.39Å; R22-E25 PolarHBondContact O-N 2.95Å; R22-E26 IonicContact NE-OE1 3.61Å; R22-E26 WeakPolarHBondContact O-CG 3.48Å; R22-E26 PolarHBondContact O-N 3.17Å |
| 23 | I | 88.4 | Confident | 81.6 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.077 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 176.6 | -62.7 | 162.8 | 0 | 0 | 0 | 110.7 | V19 R20 S21 E26 M27 H43 K46 L47 L50 | V19-I23 HydrophobicContact CG1-CD1 4.09Å; V19-I23 WeakPolarHBondContact O-CG1 3.44Å; V19-I23 PolarHBondContact O-N 3.42Å; V19-I23 VanDerWaalsContact O-N 3.08Å; R20-I23 PolarHBondContact O-N 3.38Å; S21-I23 PolarHBondContact O-N 3.43Å; I23-E26 PolarHBondContact O-N 3.4Å; I23-M27 HydrophobicContact CG2-SD 4.25Å; I23-M27 WeakPolarHBondContact O-CG 3.43Å; I23-M27 PolarHBondContact O-N 2.95Å; I23-H43 HydrophobicContact CG2-CB 4.18Å; I23-K46 HydrophobicContact CD1-CB 4.01Å; I23-K46 HydrophobicContact CG2-CB 4.39Å; I23-L47 HydrophobicContact CB-CD2 3.98Å; I23-L47 HydrophobicContact CB-CG 4.49Å; I23-L47 HydrophobicContact CD1-CD2 4.29Å; I23-L47 HydrophobicContact CG2-CD1 4.45Å; I23-L47 HydrophobicContact CG2-CD2 3.69Å; I23-L47 HydrophobicContact CG2-CG 3.66Å; I23-L50 HydrophobicContact CD1-CD2 4.31Å |
| 24 | A | 86.5 | Confident | 80.3 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R20 S21 R22 M27 S28 | R20-A24 PolarHBondContact O-N 3.15Å; S21-A24 WeakPolarHBondContact O-CB 3.21Å; S21-A24 PolarHBondContact O-N 2.65Å; S21-A24 VanDerWaalsContact O-N 3.15Å; R22-A24 VanDerWaalsContact C-N 3.32Å; R22-A24 PolarHBondContact O-N 3.39Å; A24-M27 PolarHBondContact O-N 3.22Å; A24-S28 PolarHBondContact O-N 2.88Å; A24-S28 PolarHBondContact O-OG 3.17Å |
| 25 | E | 86 | Confident | 78.9 | Confident | 131 Ų | 131 | 70.1 Ų | 70.1 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 172.9 | -74.7 | 175.1 | -174 | 0 | 0 | 112.2 | S21 R22 M27 S28 | S21-E25 WeakPolarHBondContact O-CG 3.45Å; S21-E25 PolarHBondContact O-N 3.09Å; R22-E25 PolarHBondContact O-N 2.95Å; E25-M27 VanDerWaalsContact C-N 3.29Å; E25-M27 PolarHBondContact O-N 3.41Å; E25-S28 PolarHBondContact O-N 3.16Å; E25-S28 PolarHBondContact O-OG 2.97Å |
| 26 | E | 83 | Confident | 77.8 | Confident | 70 Ų | 70 | 70 Ų | 70 | 33% | 0.327 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 174.4 | -70.5 | 175.7 | -173.5 | 0 | 0 | 111.7 | R22 I23 H43 K46 | R22-E26 IonicContact NE-OE1 3.61Å; R22-E26 WeakPolarHBondContact O-CG 3.48Å; R22-E26 PolarHBondContact O-N 3.17Å; I23-E26 PolarHBondContact O-N 3.4Å; E26-H43 IonicContact OE2-CE1 2.87Å; E26-H43 PolarHBondContact OE2-CE1 2.96Å; E26-H43 VanDerWaalsContact OE2-CE1 3.23Å; E26-H43 IonicContact OE2-ND1 3.39Å; E26-H43 PolarHBondContact OE2-ND1 3.4Å; E26-K46 IonicContact OE2-NZ 2.75Å |
| 27 | M | 81.4 | Confident | 77.2 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 177.8 | -76.8 | 178 | 57.7 | 0 | 0 | 113.1 | I23 A24 E25 V29 A30 F31 V40 H43 V44 L47 | I23-M27 HydrophobicContact CG2-SD 4.25Å; I23-M27 WeakPolarHBondContact O-CG 3.43Å; I23-M27 PolarHBondContact O-N 2.95Å; A24-M27 PolarHBondContact O-N 3.22Å; E25-M27 VanDerWaalsContact C-N 3.29Å; E25-M27 PolarHBondContact O-N 3.41Å; M27-V29 PolarHBondContact O-N 3.41Å; M27-A30 PolarHBondContact O-N 2.99Å; M27-F31 HydrophobicContact CB-CD2 4.49Å; M27-F31 HydrophobicContact CB-CE2 4.31Å; M27-F31 HydrophobicContact CE-CE2 3.97Å; M27-F31 HydrophobicContact CE-CZ 4.47Å; M27-F31 VanDerWaalsContact O-CD2 3.22Å; M27-F31 WeakPolarHBondContact O-CD2 2.95Å; M27-F31 PolarHBondContact O-N 3.49Å; M27-F31 VanDerWaalsContact O-N 3.13Å; M27-V40 HydrophobicContact CB-CG1 4.45Å; M27-V40 HydrophobicContact CE-CG1 3.53Å; M27-V40 HydrophobicContact CG-CG1 4Å; M27-V40 HydrophobicContact SD-CG1 4.32Å; M27-H43 HydrophobicContact CG-CB 3.21Å; M27-H43 HydrophobicContact SD-CB 3.73Å; M27-V44 HydrophobicContact CE-CG2 3.81Å; M27-L47 HydrophobicContact CE-CD1 4.04Å; M27-L47 HydrophobicContact SD-CD1 3.38Å; M27-L47 WeakPolarHBondContact SD-CD1 3.35Å; M27-L47 HydrophobicContact SD-CG 4.13Å |
| 28 | S | 79.6 | Confident | 76.5 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 47% | 0.469 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -33.4 | -176.2 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | A24 E25 A30 F31 | A24-S28 PolarHBondContact O-N 2.88Å; A24-S28 PolarHBondContact O-OG 3.17Å; E25-S28 PolarHBondContact O-N 3.16Å; E25-S28 PolarHBondContact O-OG 2.97Å; S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 3.5Å; S28-F31 PolarHBondContact O-N 3.4Å |
| 29 | V | 74 | Confident | 75.7 | Confident | 109 Ų | 109 | 79.9 Ų | 79.9 | 66% | 0.661 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 172.6 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | M27 | M27-V29 PolarHBondContact O-N 3.41Å |
| 30 | A | 67.3 | Low | 75.3 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 17% | 0.165 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -76.1 | -25.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M27 S28 L32 S33 V40 | M27-A30 PolarHBondContact O-N 2.99Å; S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 3.5Å; A30-L32 PolarHBondContact O-N 3.47Å; A30-S33 PolarHBondContact O-N 2.95Å; A30-S33 PolarHBondContact O-OG 3.24Å; A30-V40 HydrophobicContact CB-CG2 3.47Å; A30-V40 VanDerWaalsContact CB-CG2 3.47Å |
| 31 | F | 68.2 | Low | 75 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 48% | 0.482 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17 | 177.4 | -87.6 | -71.8 | 0 | 0 | 0 | 114.8 | M27 S28 S33 S36 V40 | M27-F31 HydrophobicContact CB-CD2 4.49Å; M27-F31 HydrophobicContact CB-CE2 4.31Å; M27-F31 HydrophobicContact CE-CE2 3.97Å; M27-F31 HydrophobicContact CE-CZ 4.47Å; M27-F31 VanDerWaalsContact O-CD2 3.22Å; M27-F31 WeakPolarHBondContact O-CD2 2.95Å; M27-F31 PolarHBondContact O-N 3.49Å; M27-F31 VanDerWaalsContact O-N 3.13Å; S28-F31 PolarHBondContact O-N 3.4Å; F31-S33 PolarHBondContact O-N 3Å; F31-S36 VanDerWaalsContact CD1-CB 3.5Å; F31-V40 HydrophobicContact CD2-CG2 4.22Å; F31-V40 HydrophobicContact CE2-CG1 3.92Å; F31-V40 HydrophobicContact CE2-CG2 4.2Å; F31-V40 HydrophobicContact CG-CG2 4.44Å; F31-V40 HydrophobicContact CZ-CG1 3.97Å; F31-V40 HydrophobicContact CZ-CG2 4.41Å |
| 32 | L | 64.5 | Low | 74.7 | Confident | 158 Ų | 158 | 75.9 Ų | 75.9 | 83% | 0.827 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.1 | 179.1 | -67.4 | 167.4 | 0 | 0 | 0 | 113.3 | A30 | A30-L32 PolarHBondContact O-N 3.47Š|
| 33 | S | 59.2 | Low | 74.6 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -102 | 143.5 | 178.5 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | A30 F31 D35 S36 | A30-S33 PolarHBondContact O-N 2.95Å; A30-S33 PolarHBondContact O-OG 3.24Å; F31-S33 PolarHBondContact O-N 3Å; S33-D35 PolarHBondContact O-N 3.12Å; S33-D35 VanDerWaalsContact O-N 3.08Å; S33-S36 PolarHBondContact O-N 3.45Å |
| 34 | S | 52.8 | Low | 74.6 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.6 | -174.2 | 50 | 0 | 0 | 0 | 0 | 115.2 | Q656 | S34-Q656 PolarHBondContact OG-NE2 3.27Å; S34-Q656 VanDerWaalsContact OG-NE2 3.14Å; S34-Q656 PolarHBondContact OG-OE1 3.01Å |
| 35 | D | 55.1 | Low | 74.8 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 40.8 | 171.3 | -96.7 | -24 | 0 | 0 | 0 | 112.3 | S33 Y37 E38 R563 Q656 | S33-D35 PolarHBondContact O-N 3.12Å; S33-D35 VanDerWaalsContact O-N 3.08Å; D35-Y37 PolarHBondContact O-N 2.85Å; D35-E38 PolarHBondContact O-N 3.48Å; D35-R563 IonicContact OD1-NH1 3.85Å; D35-R563 IonicContact OD1-NH2 3.95Å; D35-Q656 WeakPolarHBondContact OD2-CG 3.22Å; D35-Q656 PolarHBondContact OD2-NE2 3.14Å |
| 36 | S | 62 | Low | 75 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -46.3 | -45.8 | -175.6 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | F31 S33 E38 V40 | F31-S36 VanDerWaalsContact CD1-CB 3.5Å; S33-S36 PolarHBondContact O-N 3.45Å; S36-E38 PolarHBondContact O-N 2.93Å; S36-V40 WeakPolarHBondContact O-CA 3.28Å; S36-V40 WeakPolarHBondContact O-CB 3.29Å; S36-V40 WeakPolarHBondContact O-CG2 3.43Å; S36-V40 PolarHBondContact O-N 3.19Å |
| 37 | Y | 74.5 | Confident | 75.4 | Confident | 141 Ų | 141 | 66.5 Ų | 66.5 | 55% | 0.553 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.3 | -38.6 | -169.4 | -163.4 | -103.3 | 0 | 0 | 0 | 115.6 | D35 Y41 | D35-Y37 PolarHBondContact O-N 2.85Å; Y37-Y41 HydrophobicContact CD1-CD2 4.25Å; Y37-Y41 AromaticContact CE1-CD2 3.49Å; Y37-Y41 HydrophobicContact CE1-CD2 3.49Å; Y37-Y41 VanDerWaalsContact CE1-CD2 3.49Å; Y37-Y41 AromaticContact CE1-CE2 3.86Å; Y37-Y41 HydrophobicContact CE1-CE2 3.86Å; Y37-Y41 AromaticContact CZ-CD2 3.69Å; Y37-Y41 AromaticContact CZ-CE2 3.92Å; Y37-Y41 WeakPolarHBondContact O-CA 3.23Å; Y37-Y41 VanDerWaalsContact O-CB 3.29Å; Y37-Y41 WeakPolarHBondContact O-CB 3.42Å; Y37-Y41 PolarHBondContact O-N 2.93Å; Y37-Y41 WeakPolarHBondContact OH-CE2 3.02Å |
| 38 | E | 72.4 | Confident | 75.9 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.9 | -42.5 | -179.4 | -93.3 | -171.5 | 177.7 | 0 | 0 | 111.8 | D35 S36 Y41 | D35-E38 PolarHBondContact O-N 3.48Å; S36-E38 PolarHBondContact O-N 2.93Å; E38-Y41 WeakPolarHBondContact O-CB 3.31Å; E38-Y41 PolarHBondContact O-N 2.9Å |
| 39 | L | 72.4 | Confident | 76.5 | Confident | 104 Ų | 104 | 65.9 Ų | 65.9 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 176.4 | -67.6 | 170.4 | 0 | 0 | 0 | 111 | Y41 | L39-Y41 PolarHBondContact O-N 3.46Å |
| 40 | V | 81.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.8 | -18.2 | 178 | 173 | 0 | 0 | 0 | 0 | 112 | M27 A30 F31 S36 Q42 H43 V44 | M27-V40 HydrophobicContact CB-CG1 4.45Å; M27-V40 HydrophobicContact CE-CG1 3.53Å; M27-V40 HydrophobicContact CG-CG1 4Å; M27-V40 HydrophobicContact SD-CG1 4.32Å; A30-V40 HydrophobicContact CB-CG2 3.47Å; A30-V40 VanDerWaalsContact CB-CG2 3.47Å; F31-V40 HydrophobicContact CD2-CG2 4.22Å; F31-V40 HydrophobicContact CE2-CG1 3.92Å; F31-V40 HydrophobicContact CE2-CG2 4.2Å; F31-V40 HydrophobicContact CG-CG2 4.44Å; F31-V40 HydrophobicContact CZ-CG1 3.97Å; F31-V40 HydrophobicContact CZ-CG2 4.41Å; S36-V40 WeakPolarHBondContact O-CA 3.28Å; S36-V40 WeakPolarHBondContact O-CB 3.29Å; S36-V40 WeakPolarHBondContact O-CG2 3.43Å; S36-V40 PolarHBondContact O-N 3.19Å; V40-Q42 VanDerWaalsContact C-N 3.25Å; V40-Q42 PolarHBondContact O-N 3.27Å; V40-H43 WeakPolarHBondContact O-CA 3.28Å; V40-H43 WeakPolarHBondContact O-CB 3.32Å; V40-H43 PolarHBondContact O-N 2.91Å; V40-V44 HydrophobicContact CG1-CG2 3.76Å; V40-V44 PolarHBondContact O-N 3.24Å |
| 41 | Y | 84.4 | Confident | 78.4 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 9% | 0.09 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.9 | -36.5 | -173.5 | -162.1 | -106.8 | 0 | 0 | 0 | 112.9 | Y37 E38 L39 H43 V44 L45 Q87 C92 | Y37-Y41 HydrophobicContact CD1-CD2 4.25Å; Y37-Y41 AromaticContact CE1-CD2 3.49Å; Y37-Y41 HydrophobicContact CE1-CD2 3.49Å; Y37-Y41 VanDerWaalsContact CE1-CD2 3.49Å; Y37-Y41 AromaticContact CE1-CE2 3.86Å; Y37-Y41 HydrophobicContact CE1-CE2 3.86Å; Y37-Y41 AromaticContact CZ-CD2 3.69Å; Y37-Y41 AromaticContact CZ-CE2 3.92Å; Y37-Y41 WeakPolarHBondContact O-CA 3.23Å; Y37-Y41 VanDerWaalsContact O-CB 3.29Å; Y37-Y41 WeakPolarHBondContact O-CB 3.42Å; Y37-Y41 PolarHBondContact O-N 2.93Å; Y37-Y41 WeakPolarHBondContact OH-CE2 3.02Å; E38-Y41 WeakPolarHBondContact O-CB 3.31Å; E38-Y41 PolarHBondContact O-N 2.9Å; L39-Y41 PolarHBondContact O-N 3.46Å; Y41-H43 VanDerWaalsContact C-N 3.28Å; Y41-H43 PolarHBondContact O-N 2.91Å; Y41-V44 PolarHBondContact O-N 3.42Å; Y41-L45 WeakPolarHBondContact O-CB 3.47Å; Y41-L45 PolarHBondContact O-N 2.68Å; Y41-Q87 HydrophobicContact CE1-CB 3.78Å; Y41-Q87 PolarHBondContact OH-N 3.16Å; Y41-C92 HydrophobicContact CE1-CB 4.02Å; Y41-C92 VanDerWaalsContact CE1-SG 3.56Å |
| 42 | Q | 85.2 | Confident | 79.4 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 65% | 0.654 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63 | -36.5 | 176 | -67.2 | -170.5 | -6.1 | 0 | 0 | 112.1 | V40 L45 K46 | V40-Q42 VanDerWaalsContact C-N 3.25Å; V40-Q42 PolarHBondContact O-N 3.27Å; Q42-L45 WeakPolarHBondContact O-CB 3.42Å; Q42-L45 PolarHBondContact O-N 2.98Å; Q42-K46 WeakPolarHBondContact O-CG 3.3Å; Q42-K46 PolarHBondContact O-N 3.29Å; Q42-K46 VanDerWaalsContact O-N 3.13Å |
| 43 | H | 88 | Confident | 80.6 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.9 | -37 | 176.2 | -58 | -82.7 | 0 | 0 | 0 | 111.7 | I23 E26 M27 V40 Y41 L45 K46 L47 | I23-H43 HydrophobicContact CG2-CB 4.18Å; E26-H43 IonicContact OE2-CE1 2.87Å; E26-H43 PolarHBondContact OE2-CE1 2.96Å; E26-H43 VanDerWaalsContact OE2-CE1 3.23Å; E26-H43 IonicContact OE2-ND1 3.39Å; E26-H43 PolarHBondContact OE2-ND1 3.4Å; M27-H43 HydrophobicContact CG-CB 3.21Å; M27-H43 HydrophobicContact SD-CB 3.73Å; V40-H43 WeakPolarHBondContact O-CA 3.28Å; V40-H43 WeakPolarHBondContact O-CB 3.32Å; V40-H43 PolarHBondContact O-N 2.91Å; Y41-H43 VanDerWaalsContact C-N 3.28Å; Y41-H43 PolarHBondContact O-N 2.91Å; H43-L45 PolarHBondContact O-N 3.42Å; H43-K46 WeakPolarHBondContact O-CB 3.22Å; H43-K46 PolarHBondContact O-N 2.9Å; H43-K46 VanDerWaalsContact O-N 3.12Å; H43-L47 PolarHBondContact O-N 3.34Å |
| 44 | V | 88.7 | Confident | 81.9 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 26% | 0.261 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.3 | -38.3 | 170.5 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | M27 V40 Y41 L47 H48 | M27-V44 HydrophobicContact CE-CG2 3.81Å; V40-V44 HydrophobicContact CG1-CG2 3.76Å; V40-V44 PolarHBondContact O-N 3.24Å; Y41-V44 PolarHBondContact O-N 3.42Å; V44-L47 PolarHBondContact O-N 2.85Å; V44-H48 WeakPolarHBondContact O-CB 3.3Å; V44-H48 PolarHBondContact O-N 3.24Å |
| 45 | L | 90.1 | Very high | 83.6 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.3 | -172.4 | 69.9 | 0 | 0 | 0 | 111.6 | Y41 Q42 H43 H48 Q49 M86 C92 V96 | Y41-L45 WeakPolarHBondContact O-CB 3.47Å; Y41-L45 PolarHBondContact O-N 2.68Å; Q42-L45 WeakPolarHBondContact O-CB 3.42Å; Q42-L45 PolarHBondContact O-N 2.98Å; H43-L45 PolarHBondContact O-N 3.42Å; L45-H48 WeakPolarHBondContact O-CB 3.48Å; L45-H48 PolarHBondContact O-N 3.05Å; L45-Q49 WeakPolarHBondContact O-CG 3.48Å; L45-Q49 PolarHBondContact O-N 3.01Å; L45-M86 HydrophobicContact CD1-CE 3.4Å; L45-M86 VanDerWaalsContact CD1-CE 3.4Å; L45-C92 HydrophobicContact CD1-CB 4.42Å; L45-C92 WeakPolarHBondContact CD1-O 3.44Å; L45-C92 HydrophobicContact CD2-CB 4.34Å; L45-V96 HydrophobicContact CD1-CG2 3.65Å; L45-V96 HydrophobicContact CG-CG2 4.48Å |
| 46 | K | 90.9 | Very high | 85 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 39% | 0.391 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.7 | -68.3 | 176.6 | -176 | 176.6 | 0 | 111.8 | I23 E26 Q42 H43 H48 Q49 L50 | I23-K46 HydrophobicContact CD1-CB 4.01Å; I23-K46 HydrophobicContact CG2-CB 4.39Å; E26-K46 IonicContact OE2-NZ 2.75Å; Q42-K46 WeakPolarHBondContact O-CG 3.3Å; Q42-K46 PolarHBondContact O-N 3.29Å; Q42-K46 VanDerWaalsContact O-N 3.13Å; H43-K46 WeakPolarHBondContact O-CB 3.22Å; H43-K46 PolarHBondContact O-N 2.9Å; H43-K46 VanDerWaalsContact O-N 3.12Å; K46-H48 VanDerWaalsContact C-N 3.3Å; K46-H48 PolarHBondContact O-N 3.35Å; K46-Q49 PolarHBondContact O-N 3.32Å; K46-L50 WeakPolarHBondContact O-CB 3.48Å; K46-L50 PolarHBondContact O-N 3.09Å |
| 47 | L | 91 | Very high | 85.9 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 174.5 | -73.2 | -179 | 0 | 0 | 0 | 111.8 | R20 I23 M27 H43 V44 L50 H51 | R20-L47 HydrophobicContact CG-CD2 4.09Å; I23-L47 HydrophobicContact CB-CD2 3.98Å; I23-L47 HydrophobicContact CB-CG 4.49Å; I23-L47 HydrophobicContact CD1-CD2 4.29Å; I23-L47 HydrophobicContact CG2-CD1 4.45Å; I23-L47 HydrophobicContact CG2-CD2 3.69Å; I23-L47 HydrophobicContact CG2-CG 3.66Å; M27-L47 HydrophobicContact CE-CD1 4.04Å; M27-L47 HydrophobicContact SD-CD1 3.38Å; M27-L47 WeakPolarHBondContact SD-CD1 3.35Å; M27-L47 HydrophobicContact SD-CG 4.13Å; H43-L47 PolarHBondContact O-N 3.34Å; V44-L47 PolarHBondContact O-N 2.85Å; L47-L50 PolarHBondContact O-N 3.3Å; L47-H51 WeakPolarHBondContact O-CB 3.48Å; L47-H51 PolarHBondContact O-N 3.03Å |
| 48 | H | 92.2 | Very high | 86.2 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 176.1 | -175.5 | 78.9 | 0 | 0 | 0 | 111.6 | V44 L45 K46 H51 E52 | V44-H48 WeakPolarHBondContact O-CB 3.3Å; V44-H48 PolarHBondContact O-N 3.24Å; L45-H48 WeakPolarHBondContact O-CB 3.48Å; L45-H48 PolarHBondContact O-N 3.05Å; K46-H48 VanDerWaalsContact C-N 3.3Å; K46-H48 PolarHBondContact O-N 3.35Å; H48-H51 PolarHBondContact O-N 3.3Å; H48-E52 IonicContact CE1-OE1 2.64Å; H48-E52 IonicContact NE2-OE1 3.38Å; H48-E52 PolarHBondContact NE2-OE1 3.46Å; H48-E52 PolarHBondContact O-N 3.36Å |
| 49 | Q | 91.6 | Very high | 86.6 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 175.1 | -74.4 | 176.7 | -44.7 | 0 | 0 | 111.3 | L45 K46 H51 E52 I53 P95 V96 L99 | L45-Q49 WeakPolarHBondContact O-CG 3.48Å; L45-Q49 PolarHBondContact O-N 3.01Å; K46-Q49 PolarHBondContact O-N 3.32Å; Q49-H51 VanDerWaalsContact C-N 3.29Å; Q49-H51 PolarHBondContact O-N 3.02Å; Q49-E52 PolarHBondContact O-N 3.18Å; Q49-E52 VanDerWaalsContact O-N 3.13Å; Q49-I53 WeakPolarHBondContact O-CG1 3.45Å; Q49-I53 PolarHBondContact O-N 3.19Å; Q49-P95 PolarHBondContact NE2-O 3.23Å; Q49-V96 HydrophobicContact CG-CG2 3.92Å; Q49-L99 HydrophobicContact CB-CD2 3.54Å; Q49-L99 HydrophobicContact CG-CD2 3.7Å |
| 50 | L | 91 | Very high | 86.8 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 179.2 | -168.5 | 68.3 | 0 | 0 | 0 | 111.7 | V16 V19 R20 I23 K46 L47 I53 E54 | V16-L50 HydrophobicContact CG1-CD1 3.89Å; V16-L50 HydrophobicContact CG1-CD2 3.87Å; V16-L50 HydrophobicContact CG1-CG 3.87Å; V19-L50 HydrophobicContact CG1-CD1 4.17Å; V19-L50 HydrophobicContact CG1-CD2 4.46Å; R20-L50 HydrophobicContact CB-CD2 3.81Å; R20-L50 HydrophobicContact CG-CD2 4.23Å; I23-L50 HydrophobicContact CD1-CD2 4.31Å; K46-L50 WeakPolarHBondContact O-CB 3.48Å; K46-L50 PolarHBondContact O-N 3.09Å; L47-L50 PolarHBondContact O-N 3.3Å; L50-I53 PolarHBondContact O-N 3.03Å; L50-E54 PolarHBondContact O-N 3.12Å |
| 51 | H | 91.1 | Very high | 86.5 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 38% | 0.375 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.1 | -178.9 | 90.8 | 0 | 0 | 0 | 112.9 | L47 H48 Q49 I53 E54 R55 R82 | L47-H51 WeakPolarHBondContact O-CB 3.48Å; L47-H51 PolarHBondContact O-N 3.03Å; H48-H51 PolarHBondContact O-N 3.3Å; Q49-H51 VanDerWaalsContact C-N 3.29Å; Q49-H51 PolarHBondContact O-N 3.02Å; H51-I53 VanDerWaalsContact C-N 3.31Å; H51-E54 PolarHBondContact O-N 3.43Å; H51-R55 WeakPolarHBondContact O-CB 3.47Å; H51-R55 PolarHBondContact O-N 3.2Å; H51-R82 VanDerWaalsContact CD2-CZ 3.5Å; H51-R82 PolarHBondContact CD2-NH1 3.4Å; H51-R82 PolarHBondContact CD2-NH2 3.1Å; H51-R82 PolarHBondContact NE2-NH2 2.93Å |
| 52 | E | 90 | Very high | 85.9 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 175.3 | -69.7 | -161.9 | 162.4 | 0 | 0 | 111.6 | H48 Q49 V56 R100 L103 | H48-E52 IonicContact CE1-OE1 2.64Å; H48-E52 IonicContact NE2-OE1 3.38Å; H48-E52 PolarHBondContact NE2-OE1 3.46Å; H48-E52 PolarHBondContact O-N 3.36Å; Q49-E52 PolarHBondContact O-N 3.18Å; Q49-E52 VanDerWaalsContact O-N 3.13Å; E52-V56 WeakPolarHBondContact O-CG2 3.21Å; E52-V56 PolarHBondContact O-N 3.21Å; E52-V56 VanDerWaalsContact O-N 3.12Å; E52-R100 IonicContact OE1-CZ 3.25Å; E52-R100 IonicContact OE1-NE 2.89Å; E52-R100 PolarHBondContact OE1-NE 2.92Å; E52-R100 IonicContact OE1-NH2 3.54Å; E52-R100 PolarHBondContact OE1-NH2 3.48Å; E52-R100 WeakPolarHBondContact OE2-CG 3.41Å; E52-R100 IonicContact OE2-CZ 3.7Å; E52-R100 IonicContact OE2-NE 3.58Å; E52-R100 PolarHBondContact OE2-NE 3.24Å; E52-R100 IonicContact OE2-NH2 3.46Å; E52-L103 HydrophobicContact CB-CD1 4.23Å |
| 53 | I | 88.8 | Confident | 85.1 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -51.5 | 173.6 | -59.1 | 164.8 | 0 | 0 | 0 | 109.7 | F12 Q49 L50 H51 R55 V56 V57 L99 L103 | F12-I53 HydrophobicContact CE2-CG2 4.15Å; F12-I53 HydrophobicContact CZ-CG2 3.8Å; Q49-I53 WeakPolarHBondContact O-CG1 3.45Å; Q49-I53 PolarHBondContact O-N 3.19Å; L50-I53 PolarHBondContact O-N 3.03Å; H51-I53 VanDerWaalsContact C-N 3.31Å; I53-R55 VanDerWaalsContact C-N 3.31Å; I53-R55 PolarHBondContact O-N 3.17Å; I53-V56 PolarHBondContact O-N 2.94Å; I53-V57 HydrophobicContact CG2-CG2 4.24Å; I53-V57 VanDerWaalsContact O-CG2 3.28Å; I53-V57 WeakPolarHBondContact O-CG2 3.4Å; I53-V57 PolarHBondContact O-N 3.47Å; I53-L99 HydrophobicContact CD1-CD1 4.04Å; I53-L99 HydrophobicContact CD1-CD2 4.27Å; I53-L99 HydrophobicContact CG1-CD1 3.96Å; I53-L99 HydrophobicContact CG1-CD2 4.01Å; I53-L99 HydrophobicContact CG1-CG 4.37Å; I53-L103 HydrophobicContact CB-CD2 4.27Å; I53-L103 HydrophobicContact CG1-CD1 4.25Å; I53-L103 HydrophobicContact CG1-CD2 4.06Å; I53-L103 HydrophobicContact CG2-CD2 4.2Å |
| 54 | E | 87.1 | Confident | 83.7 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | -179.8 | -74.6 | 179.7 | 130.5 | 0 | 0 | 112.6 | F12 V16 R20 L50 H51 V56 V57 E58 | F12-E54 HydrophobicContact CE1-CB 4.24Å; F12-E54 HydrophobicContact CE1-CG 3.76Å; F12-E54 HydrophobicContact CZ-CG 4.11Å; V16-E54 HydrophobicContact CG1-CG 3.98Å; V16-E54 WeakPolarHBondContact CG1-OE1 3.38Å; V16-E54 HydrophobicContact CG2-CG 4.32Å; R20-E54 IonicContact CZ-OE1 3.18Å; R20-E54 IonicContact CZ-OE2 3.62Å; R20-E54 IonicContact NH2-OE1 2.82Å; R20-E54 PolarHBondContact NH2-OE1 3.12Å; R20-E54 IonicContact NH2-OE2 2.63Å; R20-E54 PolarHBondContact NH2-OE2 2.98Å; L50-E54 PolarHBondContact O-N 3.12Å; H51-E54 PolarHBondContact O-N 3.43Å; E54-V56 PolarHBondContact O-N 3.21Å; E54-V57 PolarHBondContact O-N 2.84Å; E54-E58 WeakPolarHBondContact O-CB 3.38Å; E54-E58 WeakPolarHBondContact O-CG 3.43Å; E54-E58 PolarHBondContact O-N 3.13Å |
| 55 | R | 86.8 | Confident | 82.1 | Confident | 118 Ų | 118 | 52.8 Ų | 52.8 | 45% | 0.445 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.1 | -41.9 | -178.3 | -175.2 | 57.4 | 178.8 | 163.1 | 4.5 | 112 | H51 I53 E58 L59 | H51-R55 WeakPolarHBondContact O-CB 3.47Å; H51-R55 PolarHBondContact O-N 3.2Å; I53-R55 VanDerWaalsContact C-N 3.31Å; I53-R55 PolarHBondContact O-N 3.17Å; R55-E58 IonicContact NH1-OE2 2.74Å; R55-L59 HydrophobicContact CG-CD1 4.29Å; R55-L59 WeakPolarHBondContact O-CB 3.28Å; R55-L59 VanDerWaalsContact O-CG 3.22Å; R55-L59 WeakPolarHBondContact O-CG 3.43Å; R55-L59 PolarHBondContact O-N 3.29Å |
| 56 | V | 84.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | E52 I53 E54 L59 S60 L75 W79 L103 L107 | E52-V56 WeakPolarHBondContact O-CG2 3.21Å; E52-V56 PolarHBondContact O-N 3.21Å; E52-V56 VanDerWaalsContact O-N 3.12Å; I53-V56 PolarHBondContact O-N 2.94Å; E54-V56 PolarHBondContact O-N 3.21Å; V56-L59 PolarHBondContact O-N 3.43Å; V56-S60 PolarHBondContact O-N 3.2Å; V56-L75 HydrophobicContact CG2-CD1 4.32Å; V56-W79 HydrophobicContact CG2-CZ2 3.81Å; V56-L103 HydrophobicContact CB-CB 4.44Å; V56-L103 HydrophobicContact CB-CD1 4.5Å; V56-L103 HydrophobicContact CB-CD2 4.33Å; V56-L103 HydrophobicContact CG1-CB 4.18Å; V56-L103 HydrophobicContact CG1-CD2 4.45Å; V56-L103 HydrophobicContact CG2-CB 4.24Å; V56-L103 HydrophobicContact CG2-CD1 4.12Å; V56-L107 HydrophobicContact CG1-CD1 4.28Å; V56-L107 HydrophobicContact CG1-CD2 4.38Å; V56-L107 HydrophobicContact CG1-CG 4.2Å |
| 57 | V | 81.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 177 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | A4 F12 I53 E54 L59 S60 I61 | A4-V57 HydrophobicContact CB-CB 4.49Å; A4-V57 HydrophobicContact CB-CG1 4.07Å; A4-V57 HydrophobicContact CB-CG2 3.52Å; F12-V57 HydrophobicContact CD1-CB 4.27Å; F12-V57 HydrophobicContact CD1-CG1 3.81Å; F12-V57 HydrophobicContact CD2-CG1 4.46Å; F12-V57 HydrophobicContact CE1-CB 3.99Å; F12-V57 HydrophobicContact CE1-CG1 4.05Å; F12-V57 HydrophobicContact CE1-CG2 4.26Å; F12-V57 HydrophobicContact CE2-CG2 4.23Å; F12-V57 HydrophobicContact CG-CG1 4.03Å; F12-V57 HydrophobicContact CZ-CB 4.25Å; F12-V57 HydrophobicContact CZ-CG1 4.49Å; F12-V57 HydrophobicContact CZ-CG2 4Å; I53-V57 HydrophobicContact CG2-CG2 4.24Å; I53-V57 VanDerWaalsContact O-CG2 3.28Å; I53-V57 WeakPolarHBondContact O-CG2 3.4Å; I53-V57 PolarHBondContact O-N 3.47Å; E54-V57 PolarHBondContact O-N 2.84Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 3.06Å; V57-S60 PolarHBondContact O-N 3.15Å; V57-S60 PolarHBondContact O-OG 2.94Å; V57-I61 HydrophobicContact CG1-CD1 4.26Å; V57-I61 PolarHBondContact O-N 3.36Å |
| 58 | E | 81.7 | Confident | 79.3 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 172.3 | -79.6 | 178.9 | 168.9 | 0 | 0 | 111.7 | L9 R13 E54 R55 I61 S62 | L9-E58 HydrophobicContact CD1-CB 4.46Å; L9-E58 HydrophobicContact CD1-CG 3.83Å; R13-E58 IonicContact CZ-OE1 2.73Å; R13-E58 IonicContact NE-OE1 3.91Å; R13-E58 IonicContact NH2-OE1 2.65Å; R13-E58 PolarHBondContact NH2-OE1 3.03Å; E54-E58 WeakPolarHBondContact O-CB 3.38Å; E54-E58 WeakPolarHBondContact O-CG 3.43Å; E54-E58 PolarHBondContact O-N 3.13Å; R55-E58 IonicContact NH1-OE2 2.74Å; E58-I61 PolarHBondContact O-N 2.91Å; E58-S62 PolarHBondContact O-N 3.08Å; E58-S62 PolarHBondContact O-OG 2.92Å |
| 59 | L | 80 | Confident | 78.6 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 177.3 | -72.3 | 173.3 | 0 | 0 | 0 | 111.8 | R55 V56 V57 I61 S62 L63 V71 L75 | R55-L59 HydrophobicContact CG-CD1 4.29Å; R55-L59 WeakPolarHBondContact O-CB 3.28Å; R55-L59 VanDerWaalsContact O-CG 3.22Å; R55-L59 WeakPolarHBondContact O-CG 3.43Å; R55-L59 PolarHBondContact O-N 3.29Å; V56-L59 PolarHBondContact O-N 3.43Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 3.06Å; L59-I61 PolarHBondContact O-N 3.42Å; L59-I61 VanDerWaalsContact O-N 3.09Å; L59-S62 WeakPolarHBondContact CA-OG 3.45Å; L59-S62 PolarHBondContact O-N 2.91Å; L59-S62 VanDerWaalsContact O-N 3.12Å; L59-S62 PolarHBondContact O-OG 3.42Å; L59-L63 VanDerWaalsContact O-CG 3.22Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 3.03Å; L59-V71 HydrophobicContact CB-CG1 4.44Å; L59-V71 HydrophobicContact CD1-CG1 3.93Å; L59-V71 HydrophobicContact CD2-CG1 3.51Å; L59-V71 HydrophobicContact CG-CG1 4.15Å; L59-L75 HydrophobicContact CD1-CD1 3.85Å |
| 60 | S | 77.4 | Confident | 78.2 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.4 | -28.8 | -179.5 | 71.4 | 0 | 0 | 0 | 0 | 113.5 | V56 V57 | V56-S60 PolarHBondContact O-N 3.2Å; V57-S60 PolarHBondContact O-N 3.15Å; V57-S60 PolarHBondContact O-OG 2.94Å |
| 61 | I | 74.4 | Confident | 77.7 | Confident | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -90.7 | -33.3 | 179.7 | -65.2 | 164 | 0 | 0 | 0 | 111.2 | Q7 L9 V57 E58 L59 L63 | Q7-I61 WeakPolarHBondContact O-CD1 3.38Å; L9-I61 HydrophobicContact CB-CD1 3.8Å; L9-I61 HydrophobicContact CD1-CD1 3.56Å; L9-I61 HydrophobicContact CG-CD1 4.31Å; V57-I61 HydrophobicContact CG1-CD1 4.26Å; V57-I61 PolarHBondContact O-N 3.36Å; E58-I61 PolarHBondContact O-N 2.91Å; L59-I61 PolarHBondContact O-N 3.42Å; L59-I61 VanDerWaalsContact O-N 3.09Å; I61-L63 VanDerWaalsContact C-N 3.33Å |
| 62 | S | 72.3 | Confident | 77.3 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -79.7 | -12 | 178.3 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | E58 L59 E64 K65 | E58-S62 PolarHBondContact O-N 3.08Å; E58-S62 PolarHBondContact O-OG 2.92Å; L59-S62 WeakPolarHBondContact CA-OG 3.45Å; L59-S62 PolarHBondContact O-N 2.91Å; L59-S62 VanDerWaalsContact O-N 3.12Å; L59-S62 PolarHBondContact O-OG 3.42Å; S62-E64 PolarHBondContact O-N 3.36Å; S62-K65 PolarHBondContact O-N 3.14Å |
| 63 | L | 66.9 | Low | 77 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -13.9 | -177.6 | -88.4 | 174.6 | 0 | 0 | 0 | 115 | L59 I61 K65 L68 V71 L107 P108 | L59-L63 VanDerWaalsContact O-CG 3.22Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 3.03Å; I61-L63 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 3.24Å; L63-L68 HydrophobicContact CD1-CD1 3.63Å; L63-L68 HydrophobicContact CD2-CB 4.31Å; L63-L68 HydrophobicContact CD2-CD1 3.51Å; L63-L68 HydrophobicContact CD2-CG 4.24Å; L63-L68 HydrophobicContact CG-CD1 4.1Å; L63-V71 HydrophobicContact CD2-CB 4.48Å; L63-V71 HydrophobicContact CD2-CG1 4.42Å; L63-V71 HydrophobicContact CD2-CG2 4.5Å; L63-L107 HydrophobicContact CD1-CD2 3.75Å; L63-P108 HydrophobicContact CD1-CG 4.42Å |
| 64 | E | 59.1 | Low | 76.9 | Confident | 188 Ų | 188 | 62 Ų | 62 | 88% | 0.879 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.7 | 171.4 | -67.9 | -172.1 | 163.4 | 0 | 0 | 113.5 | S62 | S62-E64 PolarHBondContact O-N 3.36Š|
| 65 | K | 55.4 | Low | 76.9 | Confident | 196 Ų | 196 | 61.4 Ų | 61.4 | 85% | 0.852 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -13.1 | -172.4 | -67.6 | -177.2 | 179.2 | 177.5 | 0 | 115.5 | S62 L63 | S62-K65 PolarHBondContact O-N 3.14Å; L63-K65 PolarHBondContact O-N 3.24Å |
| 66 | E | 63.9 | Low | 76.8 | Confident | 113 Ų | 113 | 57.2 Ų | 57.2 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -124.7 | 154.5 | -173 | -70.4 | -174.1 | 168.1 | 0 | 0 | 112.2 | L68 V71 | E66-L68 PolarHBondContact O-N 2.99Å; E66-V71 HydrophobicContact CB-CG2 4Å; E66-V71 WeakPolarHBondContact OE2-CG2 3.31Å |
| 67 | D | 75 | Confident | 77 | Confident | 115 Ų | 115 | 61.4 Ų | 61.4 | 62% | 0.615 | 33% | 0.328 | S | S | * | . | trans | -67.3 | 112.9 | 176.9 | -171.9 | 0.7 | 0 | 0 | 0 | 110.7 | A69 S70 V71 | D67-A69 PolarHBondContact O-N 2.89Å; D67-A69 PolarHBondContact OD1-N 2.97Å; D67-S70 PolarHBondContact O-N 3.47Å; D67-S70 VanDerWaalsContact O-N 3.13Å; D67-S70 PolarHBondContact O-OG 2.9Å; D67-V71 PolarHBondContact O-N 3.43Å | ||
| 68 | L | 75.5 | Confident | 77.4 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -51 | -35.6 | -176.2 | -168.3 | 99.6 | 0 | 0 | 0 | 112.4 | L63 E66 L72 P108 C110 | L63-L68 HydrophobicContact CD1-CD1 3.63Å; L63-L68 HydrophobicContact CD2-CB 4.31Å; L63-L68 HydrophobicContact CD2-CD1 3.51Å; L63-L68 HydrophobicContact CD2-CG 4.24Å; L63-L68 HydrophobicContact CG-CD1 4.1Å; E66-L68 PolarHBondContact O-N 2.99Å; L68-L72 HydrophobicContact CD2-CD1 3.99Å; L68-L72 HydrophobicContact CG-CD1 3.98Å; L68-L72 WeakPolarHBondContact O-CB 3.23Å; L68-L72 WeakPolarHBondContact O-CD1 3.47Å; L68-L72 WeakPolarHBondContact O-CG 2.98Å; L68-L72 PolarHBondContact O-N 2.88Å; L68-L72 VanDerWaalsContact O-N 3.15Å; L68-P108 HydrophobicContact CD1-CG 3.49Å; L68-P108 VanDerWaalsContact CD1-CG 3.49Å; L68-P108 HydrophobicContact CD2-CG 4.48Å; L68-C110 HydrophobicContact CD2-CB 4.07Å |
| 69 | A | 77.4 | Confident | 77.8 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D67 S73 L112 | D67-A69 PolarHBondContact O-N 2.89Å; D67-A69 PolarHBondContact OD1-N 2.97Å; A69-S73 WeakPolarHBondContact O-CB 3.27Å; A69-S73 PolarHBondContact O-N 3.26Å; A69-S73 VanDerWaalsContact O-N 3.12Å; A69-L112 HydrophobicContact CB-CD1 3.86Å |
| 70 | S | 81.6 | Confident | 78.1 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.6 | -43.7 | 179.8 | 68 | 0 | 0 | 0 | 0 | 110.8 | D67 L72 S73 D74 | D67-S70 PolarHBondContact O-N 3.47Å; D67-S70 VanDerWaalsContact O-N 3.13Å; D67-S70 PolarHBondContact O-OG 2.9Å; S70-L72 PolarHBondContact O-N 2.92Å; S70-S73 WeakPolarHBondContact O-CB 3.48Å; S70-S73 PolarHBondContact O-N 3.03Å; S70-D74 PolarHBondContact O-N 2.96Å |
| 71 | V | 81.8 | Confident | 78.7 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | L59 L63 E66 D67 D74 L75 | L59-V71 HydrophobicContact CB-CG1 4.44Å; L59-V71 HydrophobicContact CD1-CG1 3.93Å; L59-V71 HydrophobicContact CD2-CG1 3.51Å; L59-V71 HydrophobicContact CG-CG1 4.15Å; L63-V71 HydrophobicContact CD2-CB 4.48Å; L63-V71 HydrophobicContact CD2-CG1 4.42Å; L63-V71 HydrophobicContact CD2-CG2 4.5Å; E66-V71 HydrophobicContact CB-CG2 4Å; E66-V71 WeakPolarHBondContact OE2-CG2 3.31Å; D67-V71 PolarHBondContact O-N 3.43Å; V71-D74 PolarHBondContact O-N 3.48Å; V71-L75 WeakPolarHBondContact O-CB 3.37Å; V71-L75 PolarHBondContact O-N 3.01Å |
| 72 | L | 82.8 | Confident | 79.4 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -35.6 | 178.8 | -71.2 | 172.1 | 0 | 0 | 0 | 112.4 | L68 S70 S76 L107 L112 T113 L116 | L68-L72 HydrophobicContact CD2-CD1 3.99Å; L68-L72 HydrophobicContact CG-CD1 3.98Å; L68-L72 WeakPolarHBondContact O-CB 3.23Å; L68-L72 WeakPolarHBondContact O-CD1 3.47Å; L68-L72 WeakPolarHBondContact O-CG 2.98Å; L68-L72 PolarHBondContact O-N 2.88Å; L68-L72 VanDerWaalsContact O-N 3.15Å; S70-L72 PolarHBondContact O-N 2.92Å; L72-S76 WeakPolarHBondContact O-CB 3.31Å; L72-S76 PolarHBondContact O-N 2.95Å; L72-L107 HydrophobicContact CD2-CD1 3.88Å; L72-L112 HydrophobicContact CD1-CB 3.79Å; L72-L112 HydrophobicContact CD1-CD1 4.38Å; L72-T113 HydrophobicContact CD1-CG2 3.85Å; L72-T113 HydrophobicContact CD2-CG2 3.8Å; L72-L116 HydrophobicContact CB-CD1 4.33Å; L72-L116 HydrophobicContact CD2-CD1 4.07Å |
| 73 | S | 83.8 | Confident | 80.1 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | A69 S70 L75 S76 I77 | A69-S73 WeakPolarHBondContact O-CB 3.27Å; A69-S73 PolarHBondContact O-N 3.26Å; A69-S73 VanDerWaalsContact O-N 3.12Å; S70-S73 WeakPolarHBondContact O-CB 3.48Å; S70-S73 PolarHBondContact O-N 3.03Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 3.16Å; S73-S76 VanDerWaalsContact O-CB 3.3Å; S73-S76 WeakPolarHBondContact O-CB 3.49Å; S73-S76 PolarHBondContact O-N 3.16Å; S73-I77 WeakPolarHBondContact O-CG1 3.5Å; S73-I77 PolarHBondContact O-N 3.37Å |
| 74 | D | 86 | Confident | 80.9 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 57% | 0.572 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 178.6 | -75 | -13.1 | 0 | 0 | 0 | 111.9 | S70 V71 S76 I77 A78 | S70-D74 PolarHBondContact O-N 2.96Å; V71-D74 PolarHBondContact O-N 3.48Å; D74-S76 VanDerWaalsContact C-N 3.34Å; D74-S76 PolarHBondContact O-N 3.41Å; D74-I77 PolarHBondContact O-N 3.15Å; D74-A78 WeakPolarHBondContact O-CB 3.17Å; D74-A78 PolarHBondContact O-N 3.01Å |
| 75 | L | 86.9 | Confident | 82.1 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 173.1 | -171.1 | 77.4 | 0 | 0 | 0 | 110.9 | V56 L59 V71 S73 I77 A78 W79 L107 | V56-L75 HydrophobicContact CG2-CD1 4.32Å; L59-L75 HydrophobicContact CD1-CD1 3.85Å; V71-L75 WeakPolarHBondContact O-CB 3.37Å; V71-L75 PolarHBondContact O-N 3.01Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 3.16Å; L75-I77 PolarHBondContact O-N 3.03Å; L75-A78 PolarHBondContact O-N 2.92Å; L75-W79 HydrophobicContact CD1-CZ2 4.13Å; L75-W79 HydrophobicContact CD2-CD2 4.4Å; L75-W79 HydrophobicContact CD2-CE3 4.5Å; L75-W79 HydrophobicContact CD2-CH2 3.83Å; L75-W79 HydrophobicContact CD2-CZ2 3.7Å; L75-W79 HydrophobicContact CD2-CZ3 4.23Å; L75-W79 HydrophobicContact CG-CD2 4.04Å; L75-W79 HydrophobicContact CG-CG 4.46Å; L75-W79 HydrophobicContact CG-CH2 4.47Å; L75-W79 HydrophobicContact CG-CZ2 3.99Å; L75-W79 VanDerWaalsContact O-CB 3.26Å; L75-W79 WeakPolarHBondContact O-CB 3.4Å; L75-W79 VanDerWaalsContact O-CG 3.32Å; L75-W79 PolarHBondContact O-N 3.44Å; L75-L107 HydrophobicContact CD2-CD1 4.41Å |
| 76 | S | 85.9 | Confident | 83.5 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | L72 S73 D74 N80 | L72-S76 WeakPolarHBondContact O-CB 3.31Å; L72-S76 PolarHBondContact O-N 2.95Å; S73-S76 VanDerWaalsContact O-CB 3.3Å; S73-S76 WeakPolarHBondContact O-CB 3.49Å; S73-S76 PolarHBondContact O-N 3.16Å; D74-S76 VanDerWaalsContact C-N 3.34Å; D74-S76 PolarHBondContact O-N 3.41Å; S76-N80 VanDerWaalsContact O-CB 3.29Å; S76-N80 WeakPolarHBondContact O-CB 2.95Å; S76-N80 VanDerWaalsContact O-CG 3.29Å; S76-N80 PolarHBondContact O-N 3.34Å; S76-N80 PolarHBondContact O-ND2 3.41Å; S76-N80 PolarHBondContact OG-ND2 2.68Å |
| 77 | I | 87.7 | Confident | 84.2 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 45% | 0.451 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 178.9 | -66.9 | 166.4 | 0 | 0 | 0 | 110.1 | S73 D74 L75 W79 N80 N81 | S73-I77 WeakPolarHBondContact O-CG1 3.5Å; S73-I77 PolarHBondContact O-N 3.37Å; D74-I77 PolarHBondContact O-N 3.15Å; L75-I77 PolarHBondContact O-N 3.03Å; I77-W79 PolarHBondContact O-N 3.42Å; I77-N80 PolarHBondContact O-N 3.37Å; I77-N81 WeakPolarHBondContact O-CB 3.26Å; I77-N81 VanDerWaalsContact O-CG 3.24Å; I77-N81 PolarHBondContact O-N 3.44Å; I77-N81 PolarHBondContact O-ND2 3.45Å |
| 78 | A | 89 | Confident | 84.4 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D74 L75 N80 N81 R82 | D74-A78 WeakPolarHBondContact O-CB 3.17Å; D74-A78 PolarHBondContact O-N 3.01Å; L75-A78 PolarHBondContact O-N 2.92Å; A78-N80 PolarHBondContact O-N 3.07Å; A78-N81 PolarHBondContact O-N 2.97Å; A78-R82 WeakPolarHBondContact O-CB 3.43Å; A78-R82 WeakPolarHBondContact O-CG 3.18Å; A78-R82 PolarHBondContact O-N 3.16Å |
| 79 | W | 90.4 | Very high | 84.6 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.7 | -81.7 | 5 | 0 | 0 | 0 | 112.7 | V56 L75 I77 L83 R100 L104 | V56-W79 HydrophobicContact CG2-CZ2 3.81Å; L75-W79 HydrophobicContact CD1-CZ2 4.13Å; L75-W79 HydrophobicContact CD2-CD2 4.4Å; L75-W79 HydrophobicContact CD2-CE3 4.5Å; L75-W79 HydrophobicContact CD2-CH2 3.83Å; L75-W79 HydrophobicContact CD2-CZ2 3.7Å; L75-W79 HydrophobicContact CD2-CZ3 4.23Å; L75-W79 HydrophobicContact CG-CD2 4.04Å; L75-W79 HydrophobicContact CG-CG 4.46Å; L75-W79 HydrophobicContact CG-CH2 4.47Å; L75-W79 HydrophobicContact CG-CZ2 3.99Å; L75-W79 VanDerWaalsContact O-CB 3.26Å; L75-W79 WeakPolarHBondContact O-CB 3.4Å; L75-W79 VanDerWaalsContact O-CG 3.32Å; L75-W79 PolarHBondContact O-N 3.44Å; I77-W79 PolarHBondContact O-N 3.42Å; W79-L83 WeakPolarHBondContact O-CB 3.34Å; W79-L83 PolarHBondContact O-N 3.2Å; W79-R100 HydrophobicContact CD2-CG 4.09Å; W79-R100 HydrophobicContact CE3-CB 4.39Å; W79-R100 HydrophobicContact CE3-CG 4.09Å; W79-R100 HydrophobicContact CH2-CB 3.93Å; W79-R100 HydrophobicContact CH2-CG 3.95Å; W79-R100 HydrophobicContact CZ2-CB 4.4Å; W79-R100 HydrophobicContact CZ2-CG 3.94Å; W79-R100 HydrophobicContact CZ3-CB 3.92Å; W79-R100 HydrophobicContact CZ3-CG 4.03Å; W79-R100 PolarHBondContact O-NH1 3.12Å; W79-R100 PolarHBondContact O-NH2 2.97Å; W79-L104 HydrophobicContact CH2-CD2 4.02Å; W79-L104 HydrophobicContact CH2-CG 4.1Å; W79-L104 HydrophobicContact CZ3-CD1 4.37Å; W79-L104 HydrophobicContact CZ3-CD2 4.07Å; W79-L104 HydrophobicContact CZ3-CG 4.2Å |
| 80 | N | 88 | Confident | 84.9 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 177.8 | -77.8 | -46.3 | 0 | 0 | 0 | 112.1 | S76 I77 A78 K84 Q123 | S76-N80 VanDerWaalsContact O-CB 3.29Å; S76-N80 WeakPolarHBondContact O-CB 2.95Å; S76-N80 VanDerWaalsContact O-CG 3.29Å; S76-N80 PolarHBondContact O-N 3.34Å; S76-N80 PolarHBondContact O-ND2 3.41Å; S76-N80 PolarHBondContact OG-ND2 2.68Å; I77-N80 PolarHBondContact O-N 3.37Å; A78-N80 PolarHBondContact O-N 3.07Å; N80-K84 VanDerWaalsContact O-CG 3.3Å; N80-K84 WeakPolarHBondContact O-CG 3.18Å; N80-K84 PolarHBondContact O-N 3.1Å; N80-Q123 PolarHBondContact OD1-NE2 3.12Å; N80-Q123 VanDerWaalsContact OD1-NE2 3.12Å |
| 81 | N | 88.1 | Confident | 85.1 | Confident | 77 Ų | 77 | 57.8 Ų | 57.8 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 176.9 | -72.2 | -21.5 | 0 | 0 | 0 | 111.7 | I77 A78 K84 L85 | I77-N81 WeakPolarHBondContact O-CB 3.26Å; I77-N81 VanDerWaalsContact O-CG 3.24Å; I77-N81 PolarHBondContact O-N 3.44Å; I77-N81 PolarHBondContact O-ND2 3.45Å; A78-N81 PolarHBondContact O-N 2.97Å; N81-K84 WeakPolarHBondContact O-CB 3.35Å; N81-K84 PolarHBondContact O-N 3.24Å; N81-L85 PolarHBondContact O-N 3.16Å |
| 82 | R | 90.1 | Very high | 85.3 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 174.1 | -80.5 | 172.4 | 172.4 | -135.8 | 5.4 | 112.3 | H51 A78 K84 L85 M86 | H51-R82 VanDerWaalsContact CD2-CZ 3.5Å; H51-R82 PolarHBondContact CD2-NH1 3.4Å; H51-R82 PolarHBondContact CD2-NH2 3.1Å; H51-R82 PolarHBondContact NE2-NH2 2.93Å; A78-R82 WeakPolarHBondContact O-CB 3.43Å; A78-R82 WeakPolarHBondContact O-CG 3.18Å; A78-R82 PolarHBondContact O-N 3.16Å; R82-K84 PolarHBondContact O-N 3.19Å; R82-L85 PolarHBondContact O-N 2.93Å; R82-M86 WeakPolarHBondContact O-CG 3.41Å; R82-M86 PolarHBondContact O-N 3.43Å; R82-M86 VanDerWaalsContact O-N 3.16Å |
| 83 | L | 87.3 | Confident | 85.6 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 178.8 | -161.8 | 100.4 | 0 | 0 | 0 | 112.4 | W79 L85 M86 L97 | W79-L83 WeakPolarHBondContact O-CB 3.34Å; W79-L83 PolarHBondContact O-N 3.2Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L83-L85 PolarHBondContact O-N 3.02Å; L83-M86 PolarHBondContact O-N 2.97Å; L83-L97 HydrophobicContact CD1-CD2 3.86Å; L83-L97 HydrophobicContact CD1-CG 4.23Å |
| 84 | K | 83.3 | Confident | 85.8 | Confident | 137 Ų | 137 | 57 Ų | 57 | 60% | 0.596 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.3 | -27.9 | 175.2 | -71.8 | 167.8 | -169.1 | 166.2 | 0 | 113.2 | N80 N81 R82 | N80-K84 VanDerWaalsContact O-CG 3.3Å; N80-K84 WeakPolarHBondContact O-CG 3.18Å; N80-K84 PolarHBondContact O-N 3.1Å; N81-K84 WeakPolarHBondContact O-CB 3.35Å; N81-K84 PolarHBondContact O-N 3.24Å; R82-K84 PolarHBondContact O-N 3.19Å |
| 85 | L | 84.5 | Confident | 86.1 | Confident | 156 Ų | 156 | 53.9 Ų | 53.9 | 82% | 0.817 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -85.6 | -21.6 | 179.1 | -64.3 | 173.2 | 0 | 0 | 0 | 112.5 | N81 R82 L83 | N81-L85 PolarHBondContact O-N 3.16Å; R82-L85 PolarHBondContact O-N 2.93Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L83-L85 PolarHBondContact O-N 3.02Å |
| 86 | M | 84.8 | Confident | 86.4 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -67.1 | 153.7 | 177.7 | -70.7 | -179.1 | 69.7 | 0 | 0 | 112.6 | L45 R82 L83 C92 V96 | L45-M86 HydrophobicContact CD1-CE 3.4Å; L45-M86 VanDerWaalsContact CD1-CE 3.4Å; R82-M86 WeakPolarHBondContact O-CG 3.41Å; R82-M86 PolarHBondContact O-N 3.43Å; R82-M86 VanDerWaalsContact O-N 3.16Å; L83-M86 PolarHBondContact O-N 2.97Å; M86-C92 WeakPolarHBondContact CE-O 3.28Å; M86-V96 HydrophobicContact CE-CB 4.31Å; M86-V96 HydrophobicContact CE-CG2 3.71Å; M86-V96 HydrophobicContact SD-CG1 4.39Å; M86-V96 HydrophobicContact SD-CG2 4.33Å |
| 87 | Q | 78.3 | Confident | 86.7 | Confident | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | trans | -57.6 | 140.5 | 170.2 | -166.9 | 176.1 | 13 | 0 | 0 | 109.9 | Y41 S89 Q93 | Y41-Q87 HydrophobicContact CE1-CB 3.78Å; Y41-Q87 PolarHBondContact OH-N 3.16Å; Q87-S89 PolarHBondContact O-N 3.16Å; Q87-S89 VanDerWaalsContact O-N 3.1Å; Q87-Q93 WeakPolarHBondContact O-CG 3.43Å; Q87-Q93 PolarHBondContact O-NE2 2.97Å; Q87-Q93 VanDerWaalsContact O-NE2 3.1Å | ||
| 88 | S | 78.5 | Confident | 86.9 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -75.8 | 9.3 | -177.2 | 59 | 0 | 0 | 0 | 0 | 114.4 | ||
| 89 | S | 81.1 | Confident | 87 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | trans | -72.9 | 138.1 | -179.5 | 43.7 | 0 | 0 | 0 | 0 | 110.8 | Q87 E91 C92 Q93 | Q87-S89 PolarHBondContact O-N 3.16Å; Q87-S89 VanDerWaalsContact O-N 3.1Å; S89-E91 PolarHBondContact O-N 3.46Å; S89-C92 PolarHBondContact O-N 2.89Å; S89-C92 WeakPolarHBondContact OG-CB 3.49Å; S89-C92 PolarHBondContact OG-SG 3.43Å; S89-Q93 PolarHBondContact O-N 3.36Å; S89-Q93 VanDerWaalsContact O-N 3.1Å | ||
| 90 | P | 83.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 177.2 | 28.1 | -36.4 | 0 | 0 | 0 | 111.7 | C92 Q93 T94 V127 A131 Y133 | P90-C92 PolarHBondContact O-N 3.27Å; P90-Q93 PolarHBondContact O-N 3.2Å; P90-T94 WeakPolarHBondContact O-CB 3.32Å; P90-T94 PolarHBondContact O-N 3.07Å; P90-T94 PolarHBondContact O-OG1 3.46Å; P90-V127 HydrophobicContact CB-CG1 4.01Å; P90-A131 HydrophobicContact CB-CB 3.75Å; P90-A131 HydrophobicContact CG-CB 3.6Å; P90-Y133 HydrophobicContact CB-CE2 4.3Å; P90-Y133 HydrophobicContact CG-CE2 4.06Å |
| 91 | E | 84.3 | Confident | 87.2 | Confident | 118 Ų | 118 | 48.5 Ų | 48.5 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.9 | -30.2 | 178.7 | -60.9 | 133.5 | -179.2 | 0 | 0 | 112.1 | S89 P95 | S89-E91 PolarHBondContact O-N 3.46Å; E91-P95 WeakPolarHBondContact O-CD 3.4Å; E91-P95 VanDerWaalsContact O-CG 3.3Å; E91-P95 WeakPolarHBondContact O-CG 3.3Å |
| 92 | C | 85.9 | Confident | 87.2 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.081 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -94 | -39.1 | -178.7 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | Y41 L45 M86 S89 P90 | Y41-C92 HydrophobicContact CE1-CB 4.02Å; Y41-C92 VanDerWaalsContact CE1-SG 3.56Å; L45-C92 HydrophobicContact CD1-CB 4.42Å; L45-C92 WeakPolarHBondContact CD1-O 3.44Å; L45-C92 HydrophobicContact CD2-CB 4.34Å; M86-C92 WeakPolarHBondContact CE-O 3.28Å; S89-C92 PolarHBondContact O-N 2.89Å; S89-C92 WeakPolarHBondContact OG-CB 3.49Å; S89-C92 PolarHBondContact OG-SG 3.43Å; P90-C92 PolarHBondContact O-N 3.27Å |
| 93 | Q | 89.2 | Confident | 87.1 | Confident | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -80.2 | -35.4 | -175.8 | -64.8 | -168.6 | -13.3 | 0 | 0 | 113.1 | Q87 S89 P90 V96 L97 V127 | Q87-Q93 WeakPolarHBondContact O-CG 3.43Å; Q87-Q93 PolarHBondContact O-NE2 2.97Å; Q87-Q93 VanDerWaalsContact O-NE2 3.1Å; S89-Q93 PolarHBondContact O-N 3.36Å; S89-Q93 VanDerWaalsContact O-N 3.1Å; P90-Q93 PolarHBondContact O-N 3.2Å; Q93-V96 PolarHBondContact O-N 3.09Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 2.91Å; Q93-V127 HydrophobicContact CB-CG1 4.13Å; Q93-V127 HydrophobicContact CB-CG2 4.26Å |
| 94 | T | 89.7 | Confident | 87 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | -175.2 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | P90 V96 L97 E98 | P90-T94 WeakPolarHBondContact O-CB 3.32Å; P90-T94 PolarHBondContact O-N 3.07Å; P90-T94 PolarHBondContact O-OG1 3.46Å; T94-V96 VanDerWaalsContact C-N 3.28Å; T94-V96 PolarHBondContact O-N 2.87Å; T94-L97 PolarHBondContact O-N 2.93Å; T94-L97 VanDerWaalsContact O-N 3.17Å; T94-E98 HydrophobicContact CG2-CG 4.48Å; T94-E98 WeakPolarHBondContact CG2-OE1 3.47Å; T94-E98 WeakPolarHBondContact O-CG 3.14Å; T94-E98 PolarHBondContact O-N 3.41Å |
| 95 | P | 91.6 | Very high | 87 | Confident | 42 Ų | 42 | 43 Ų | 43 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.6 | -33.2 | 179.3 | -24.2 | 35.8 | 0 | 0 | 0 | 113.5 | Q49 E91 L99 | Q49-P95 PolarHBondContact NE2-O 3.23Å; E91-P95 WeakPolarHBondContact O-CD 3.4Å; E91-P95 VanDerWaalsContact O-CG 3.3Å; E91-P95 WeakPolarHBondContact O-CG 3.3Å; P95-L99 VanDerWaalsContact O-CB 3.3Å; P95-L99 WeakPolarHBondContact O-CB 3.46Å; P95-L99 PolarHBondContact O-N 3.32Å |
| 96 | V | 93.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71 | -41.7 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | L45 Q49 M86 Q93 T94 L99 R100 | L45-V96 HydrophobicContact CD1-CG2 3.65Å; L45-V96 HydrophobicContact CG-CG2 4.48Å; Q49-V96 HydrophobicContact CG-CG2 3.92Å; M86-V96 HydrophobicContact CE-CB 4.31Å; M86-V96 HydrophobicContact CE-CG2 3.71Å; M86-V96 HydrophobicContact SD-CG1 4.39Å; M86-V96 HydrophobicContact SD-CG2 4.33Å; Q93-V96 PolarHBondContact O-N 3.09Å; T94-V96 VanDerWaalsContact C-N 3.28Å; T94-V96 PolarHBondContact O-N 2.87Å; V96-L99 PolarHBondContact O-N 2.97Å; V96-R100 VanDerWaalsContact O-CG 3.32Å; V96-R100 WeakPolarHBondContact O-CG 3.42Å; V96-R100 PolarHBondContact O-N 3.12Å |
| 97 | L | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.7 | -68.2 | 171 | 0 | 0 | 0 | 112.3 | L83 Q93 T94 R100 R101 S120 Q123 S124 V127 | L83-L97 HydrophobicContact CD1-CD2 3.86Å; L83-L97 HydrophobicContact CD1-CG 4.23Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 2.91Å; T94-L97 PolarHBondContact O-N 2.93Å; T94-L97 VanDerWaalsContact O-N 3.17Å; L97-R100 PolarHBondContact O-N 3.43Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 2.85Å; L97-R101 PolarHBondContact O-NH1 3.45Å; L97-S120 PolarHBondContact O-OG 2.62Å; L97-Q123 HydrophobicContact CD1-CB 4.04Å; L97-Q123 HydrophobicContact CD2-CB 4Å; L97-Q123 VanDerWaalsContact CD2-OE1 3.29Å; L97-S124 WeakPolarHBondContact CB-OG 3.42Å; L97-V127 HydrophobicContact CD1-CG2 4.17Å |
| 98 | E | 91.5 | Very high | 86.5 | Confident | 94 Ų | 94 | 38.3 Ų | 38.3 | 44% | 0.439 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 172.2 | -76.3 | 171.7 | -178.5 | 0 | 0 | 111.8 | T94 R100 R101 Q102 | T94-E98 HydrophobicContact CG2-CG 4.48Å; T94-E98 WeakPolarHBondContact CG2-OE1 3.47Å; T94-E98 WeakPolarHBondContact O-CG 3.14Å; T94-E98 PolarHBondContact O-N 3.41Å; E98-R100 PolarHBondContact O-N 3.36Å; E98-R101 WeakPolarHBondContact O-CB 3.48Å; E98-R101 PolarHBondContact O-N 2.87Å; E98-Q102 PolarHBondContact O-N 3.41Å |
| 99 | L | 91.7 | Very high | 86.5 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.2 | 179.4 | 66.9 | 0 | 0 | 0 | 111.5 | Q49 I53 P95 V96 R101 Q102 L103 | Q49-L99 HydrophobicContact CB-CD2 3.54Å; Q49-L99 HydrophobicContact CG-CD2 3.7Å; I53-L99 HydrophobicContact CD1-CD1 4.04Å; I53-L99 HydrophobicContact CD1-CD2 4.27Å; I53-L99 HydrophobicContact CG1-CD1 3.96Å; I53-L99 HydrophobicContact CG1-CD2 4.01Å; I53-L99 HydrophobicContact CG1-CG 4.37Å; P95-L99 VanDerWaalsContact O-CB 3.3Å; P95-L99 WeakPolarHBondContact O-CB 3.46Å; P95-L99 PolarHBondContact O-N 3.32Å; V96-L99 PolarHBondContact O-N 2.97Å; L99-R101 PolarHBondContact O-N 2.86Å; L99-Q102 PolarHBondContact O-N 3.12Å; L99-Q102 VanDerWaalsContact O-N 3.08Å; L99-L103 HydrophobicContact CD1-CD1 4.44Å; L99-L103 HydrophobicContact CD1-CG 4.3Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 HydrophobicContact CG-CG 4.2Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 2.91Å |
| 100 | R | 92.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.4 | -37.5 | 177.6 | -74.7 | 174.3 | -177.8 | -176 | -2.8 | 112.4 | E52 W79 V96 L97 E98 L103 L104 | E52-R100 IonicContact OE1-CZ 3.25Å; E52-R100 IonicContact OE1-NE 2.89Å; E52-R100 PolarHBondContact OE1-NE 2.92Å; E52-R100 IonicContact OE1-NH2 3.54Å; E52-R100 PolarHBondContact OE1-NH2 3.48Å; E52-R100 WeakPolarHBondContact OE2-CG 3.41Å; E52-R100 IonicContact OE2-CZ 3.7Å; E52-R100 IonicContact OE2-NE 3.58Å; E52-R100 PolarHBondContact OE2-NE 3.24Å; E52-R100 IonicContact OE2-NH2 3.46Å; W79-R100 HydrophobicContact CD2-CG 4.09Å; W79-R100 HydrophobicContact CE3-CB 4.39Å; W79-R100 HydrophobicContact CE3-CG 4.09Å; W79-R100 HydrophobicContact CH2-CB 3.93Å; W79-R100 HydrophobicContact CH2-CG 3.95Å; W79-R100 HydrophobicContact CZ2-CB 4.4Å; W79-R100 HydrophobicContact CZ2-CG 3.94Å; W79-R100 HydrophobicContact CZ3-CB 3.92Å; W79-R100 HydrophobicContact CZ3-CG 4.03Å; W79-R100 PolarHBondContact O-NH1 3.12Å; W79-R100 PolarHBondContact O-NH2 2.97Å; V96-R100 VanDerWaalsContact O-CG 3.32Å; V96-R100 WeakPolarHBondContact O-CG 3.42Å; V96-R100 PolarHBondContact O-N 3.12Å; L97-R100 PolarHBondContact O-N 3.43Å; E98-R100 PolarHBondContact O-N 3.36Å; R100-L103 PolarHBondContact O-N 3.08Å; R100-L104 VanDerWaalsContact O-CG 3.3Å; R100-L104 WeakPolarHBondContact O-CG 3.4Å; R100-L104 PolarHBondContact O-N 3.1Å |
| 101 | R | 89.8 | Confident | 86.3 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 176.1 | -70.9 | -174.7 | -70.7 | -89.2 | 13 | 112.2 | L97 E98 L99 L103 L104 S120 W121 S124 | L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 2.85Å; L97-R101 PolarHBondContact O-NH1 3.45Å; E98-R101 WeakPolarHBondContact O-CB 3.48Å; E98-R101 PolarHBondContact O-N 2.87Å; L99-R101 PolarHBondContact O-N 2.86Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L104 PolarHBondContact O-N 2.63Å; R101-S120 WeakPolarHBondContact CG-OG 3.35Å; R101-S120 PolarHBondContact NH1-OG 3.24Å; R101-S120 VanDerWaalsContact NH1-OG 3.12Å; R101-W121 VanDerWaalsContact CD-CD2 3.5Å; R101-S124 PolarHBondContact NH1-OG 2.98Å; R101-S124 PolarHBondContact NH2-OG 3.26Å |
| 102 | Q | 89 | Confident | 86.1 | Confident | 104 Ų | 104 | 44.3 Ų | 44.3 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.9 | -35.3 | 175.9 | -63.5 | 176.2 | 2.2 | 0 | 0 | 111.7 | M1 E98 L99 L104 D105 F106 | M1-Q102 HydrophobicContact CE-CB 3.85Å; E98-Q102 PolarHBondContact O-N 3.41Å; L99-Q102 PolarHBondContact O-N 3.12Å; L99-Q102 VanDerWaalsContact O-N 3.08Å; Q102-L104 VanDerWaalsContact C-N 3.35Å; Q102-D105 WeakPolarHBondContact O-CB 3.4Å; Q102-D105 PolarHBondContact O-N 3.34Å; Q102-F106 VanDerWaalsContact O-CD2 3.25Å; Q102-F106 WeakPolarHBondContact O-CD2 3.22Å; Q102-F106 WeakPolarHBondContact O-CE2 3.45Å |
| 103 | L | 86.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -34.4 | 177.5 | -73.8 | 177.7 | 0 | 0 | 0 | 112.6 | M1 E52 I53 V56 L99 R100 R101 D105 F106 | M1-L103 HydrophobicContact CE-CD2 4.41Å; M1-L103 HydrophobicContact SD-CD2 4.13Å; E52-L103 HydrophobicContact CB-CD1 4.23Å; I53-L103 HydrophobicContact CB-CD2 4.27Å; I53-L103 HydrophobicContact CG1-CD1 4.25Å; I53-L103 HydrophobicContact CG1-CD2 4.06Å; I53-L103 HydrophobicContact CG2-CD2 4.2Å; V56-L103 HydrophobicContact CB-CB 4.44Å; V56-L103 HydrophobicContact CB-CD1 4.5Å; V56-L103 HydrophobicContact CB-CD2 4.33Å; V56-L103 HydrophobicContact CG1-CB 4.18Å; V56-L103 HydrophobicContact CG1-CD2 4.45Å; V56-L103 HydrophobicContact CG2-CB 4.24Å; V56-L103 HydrophobicContact CG2-CD1 4.12Å; L99-L103 HydrophobicContact CD1-CD1 4.44Å; L99-L103 HydrophobicContact CD1-CG 4.3Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 HydrophobicContact CG-CG 4.2Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 2.91Å; R100-L103 PolarHBondContact O-N 3.08Å; R101-L103 VanDerWaalsContact C-N 3.31Å; L103-D105 PolarHBondContact O-N 2.76Å; L103-F106 PolarHBondContact O-N 3.46Å; L103-F106 VanDerWaalsContact O-N 3.16Å |
| 104 | L | 86.5 | Confident | 85.5 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -26.9 | 175.6 | -71.7 | 168.9 | 0 | 0 | 0 | 112.5 | W79 R100 R101 Q102 F106 L107 L116 R117 | W79-L104 HydrophobicContact CH2-CD2 4.02Å; W79-L104 HydrophobicContact CH2-CG 4.1Å; W79-L104 HydrophobicContact CZ3-CD1 4.37Å; W79-L104 HydrophobicContact CZ3-CD2 4.07Å; W79-L104 HydrophobicContact CZ3-CG 4.2Å; R100-L104 VanDerWaalsContact O-CG 3.3Å; R100-L104 WeakPolarHBondContact O-CG 3.4Å; R100-L104 PolarHBondContact O-N 3.1Å; R101-L104 PolarHBondContact O-N 2.63Å; Q102-L104 VanDerWaalsContact C-N 3.35Å; L104-F106 PolarHBondContact O-N 2.89Å; L104-L107 HydrophobicContact CD2-CD1 4.24Å; L104-L107 PolarHBondContact O-N 3.35Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L104-L116 HydrophobicContact CD1-CB 3.94Å; L104-L116 HydrophobicContact CD2-CB 4.04Å; L104-L116 HydrophobicContact CD2-CD1 4.2Å; L104-R117 HydrophobicContact CD1-CB 3.92Å |
| 105 | D | 83.7 | Confident | 85.2 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.3 | 176.9 | -59.5 | -30.6 | 0 | 0 | 0 | 112.5 | Q102 L103 R117 | Q102-D105 WeakPolarHBondContact O-CB 3.4Å; Q102-D105 PolarHBondContact O-N 3.34Å; L103-D105 PolarHBondContact O-N 2.76Å; D105-R117 IonicContact OD1-CZ 3.73Å; D105-R117 IonicContact OD1-NE 2.81Å; D105-R117 IonicContact OD1-NH1 3.1Å; D105-R117 IonicContact OD1-NH2 3.32Å; D105-R117 PolarHBondContact OD1-NH2 2.71Å; D105-R117 VanDerWaalsContact OD1-NH2 3.1Å; D105-R117 IonicContact OD2-NH2 3.47Å |
| 106 | F | 79.3 | Confident | 84.9 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 28% | 0.281 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.5 | 174 | -67.6 | -93.2 | 0 | 0 | 0 | 113.5 | M1 A4 Q102 L103 L104 | M1-F106 HydrophobicContact CB-CZ 4.25Å; M1-F106 HydrophobicContact CE-CD2 4.3Å; M1-F106 HydrophobicContact CE-CE2 3.28Å; M1-F106 HydrophobicContact CE-CZ 3.79Å; M1-F106 HydrophobicContact SD-CD2 4.48Å; M1-F106 HydrophobicContact SD-CE2 3.58Å; M1-F106 VanDerWaalsContact SD-CE2 3.58Å; M1-F106 HydrophobicContact SD-CZ 3.67Å; A4-F106 HydrophobicContact CB-CE1 4.39Å; Q102-F106 VanDerWaalsContact O-CD2 3.25Å; Q102-F106 WeakPolarHBondContact O-CD2 3.22Å; Q102-F106 WeakPolarHBondContact O-CE2 3.45Å; L103-F106 PolarHBondContact O-N 3.46Å; L103-F106 VanDerWaalsContact O-N 3.16Å; L104-F106 PolarHBondContact O-N 2.89Å |
| 107 | L | 79.4 | Confident | 84.5 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -96 | 150.4 | 177 | -63.8 | 171.3 | 0 | 0 | 0 | 109 | V56 L63 L72 L75 L104 E109 T113 | V56-L107 HydrophobicContact CG1-CD1 4.28Å; V56-L107 HydrophobicContact CG1-CD2 4.38Å; V56-L107 HydrophobicContact CG1-CG 4.2Å; L63-L107 HydrophobicContact CD1-CD2 3.75Å; L72-L107 HydrophobicContact CD2-CD1 3.88Å; L75-L107 HydrophobicContact CD2-CD1 4.41Å; L104-L107 HydrophobicContact CD2-CD1 4.24Å; L104-L107 PolarHBondContact O-N 3.35Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L107-E109 PolarHBondContact O-N 3.31Å; L107-T113 HydrophobicContact CB-CG2 4.03Å |
| 108 | P | 76.8 | Confident | 84.3 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | trans | -58.2 | 139.2 | 178.2 | 21.2 | -30.6 | 0 | 0 | 0 | 111.3 | L63 L68 C110 T113 | L63-P108 HydrophobicContact CD1-CG 4.42Å; L68-P108 HydrophobicContact CD1-CG 3.49Å; L68-P108 VanDerWaalsContact CD1-CG 3.49Å; L68-P108 HydrophobicContact CD2-CG 4.48Å; P108-C110 PolarHBondContact O-N 2.98Å; P108-C110 VanDerWaalsContact O-N 3.16Å; P108-T113 PolarHBondContact O-OG1 3.13Å; P108-T113 VanDerWaalsContact O-OG1 3.08Å | ||
| 109 | E | 78.5 | Confident | 84.1 | Confident | 162 Ų | 162 | 49.2 Ų | 49.2 | 76% | 0.757 | 26% | 0.258 | S | S | * | . | trans | -67.6 | 114 | 177.2 | -73.5 | -165 | 155 | 0 | 0 | 109.9 | L107 | L107-E109 PolarHBondContact O-N 3.31Š| ||
| 110 | C | 81 | Confident | 84 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | trans | -138.4 | 168.1 | 174 | 70.3 | 0 | 0 | 0 | 0 | 108.7 | L68 P108 L112 T113 L114 | L68-C110 HydrophobicContact CD2-CB 4.07Å; P108-C110 PolarHBondContact O-N 2.98Å; P108-C110 VanDerWaalsContact O-N 3.16Å; C110-L112 PolarHBondContact O-N 3.39Å; C110-L112 VanDerWaalsContact O-N 3.17Å; C110-T113 PolarHBondContact N-OG1 3.45Å; C110-T113 PolarHBondContact O-N 3.5Å; C110-T113 VanDerWaalsContact O-N 3.16Å; C110-T113 PolarHBondContact O-OG1 3.05Å; C110-T113 PolarHBondContact SG-N 3.32Å; C110-T113 VanDerWaalsContact SG-N 3.43Å; C110-T113 PolarHBondContact SG-OG1 3.35Å; C110-L114 PolarHBondContact O-N 3.33Å; C110-L114 VanDerWaalsContact O-N 3.09Å | ||
| 111 | S | 80.6 | Confident | 84 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.3 | -36.8 | 179.3 | 57 | 0 | 0 | 0 | 0 | 112.4 | D115 | S111-D115 WeakPolarHBondContact O-CB 3.21Å; S111-D115 VanDerWaalsContact O-CG 3.24Å; S111-D115 PolarHBondContact O-N 3.35Å |
| 112 | L | 78.9 | Confident | 84 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.1 | -39.6 | 179.7 | -72.4 | 162.3 | 0 | 0 | 0 | 112.7 | A69 L72 C110 L114 D115 L116 | A69-L112 HydrophobicContact CB-CD1 3.86Å; L72-L112 HydrophobicContact CD1-CB 3.79Å; L72-L112 HydrophobicContact CD1-CD1 4.38Å; C110-L112 PolarHBondContact O-N 3.39Å; C110-L112 VanDerWaalsContact O-N 3.17Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L112-D115 PolarHBondContact O-N 3.29Å; L112-L116 WeakPolarHBondContact O-CB 3.4Å; L112-L116 VanDerWaalsContact O-CG 3.27Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.93Å |
| 113 | T | 80 | Confident | 84 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.8 | -36.3 | 176.7 | 46.7 | 0 | 0 | 0 | 0 | 111.4 | L72 L107 P108 C110 L116 R117 | L72-T113 HydrophobicContact CD1-CG2 3.85Å; L72-T113 HydrophobicContact CD2-CG2 3.8Å; L107-T113 HydrophobicContact CB-CG2 4.03Å; P108-T113 PolarHBondContact O-OG1 3.13Å; P108-T113 VanDerWaalsContact O-OG1 3.08Å; C110-T113 PolarHBondContact N-OG1 3.45Å; C110-T113 PolarHBondContact O-N 3.5Å; C110-T113 VanDerWaalsContact O-N 3.16Å; C110-T113 PolarHBondContact O-OG1 3.05Å; C110-T113 PolarHBondContact SG-N 3.32Å; C110-T113 VanDerWaalsContact SG-N 3.43Å; C110-T113 PolarHBondContact SG-OG1 3.35Å; T113-L116 PolarHBondContact O-N 2.91Å; T113-R117 WeakPolarHBondContact O-CB 3.34Å; T113-R117 PolarHBondContact O-N 3.02Å |
| 114 | L | 83.5 | Confident | 84.3 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 37% | 0.372 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -46.5 | 171.1 | -68.1 | 173.4 | 0 | 0 | 0 | 111.8 | C110 L112 L116 R117 D118 | C110-L114 PolarHBondContact O-N 3.33Å; C110-L114 VanDerWaalsContact O-N 3.09Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.12Å; L114-R117 WeakPolarHBondContact O-CB 3.36Å; L114-R117 PolarHBondContact O-N 2.97Å; L114-R117 VanDerWaalsContact O-N 3.15Å; L114-D118 WeakPolarHBondContact O-CB 3.3Å; L114-D118 PolarHBondContact O-N 3.27Å |
| 115 | D | 82.9 | Confident | 84.5 | Confident | 74 Ų | 74 | 47.2 Ų | 47.2 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.4 | -73.8 | -24.1 | 0 | 0 | 0 | 111.8 | S111 L112 D118 T119 | S111-D115 WeakPolarHBondContact O-CB 3.21Å; S111-D115 VanDerWaalsContact O-CG 3.24Å; S111-D115 PolarHBondContact O-N 3.35Å; L112-D115 PolarHBondContact O-N 3.29Å; D115-D118 PolarHBondContact O-N 3.36Å; D115-T119 WeakPolarHBondContact O-CB 3.35Å; D115-T119 VanDerWaalsContact O-CG2 3.23Å; D115-T119 WeakPolarHBondContact O-CG2 3.46Å; D115-T119 PolarHBondContact O-N 2.98Å; D115-T119 PolarHBondContact O-OG1 3.05Å |
| 116 | L | 84.8 | Confident | 84.9 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 174.6 | -72.6 | 172.7 | 0 | 0 | 0 | 112.4 | L72 L104 L112 T113 L114 T119 S120 | L72-L116 HydrophobicContact CB-CD1 4.33Å; L72-L116 HydrophobicContact CD2-CD1 4.07Å; L104-L116 HydrophobicContact CD1-CB 3.94Å; L104-L116 HydrophobicContact CD2-CB 4.04Å; L104-L116 HydrophobicContact CD2-CD1 4.2Å; L112-L116 WeakPolarHBondContact O-CB 3.4Å; L112-L116 VanDerWaalsContact O-CG 3.27Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.93Å; T113-L116 PolarHBondContact O-N 2.91Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.12Å; L116-T119 VanDerWaalsContact CA-OG1 3.31Å; L116-T119 WeakPolarHBondContact CA-OG1 3.3Å; L116-T119 PolarHBondContact O-OG1 3.27Å; L116-S120 WeakPolarHBondContact O-CB 3.42Å; L116-S120 PolarHBondContact O-N 3.24Å |
| 117 | R | 86.2 | Confident | 85.4 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.4 | -167.2 | 178 | -167 | 175.5 | 12.3 | 110.8 | L104 D105 T113 L114 S120 W121 | L104-R117 HydrophobicContact CD1-CB 3.92Å; D105-R117 IonicContact OD1-CZ 3.73Å; D105-R117 IonicContact OD1-NE 2.81Å; D105-R117 IonicContact OD1-NH1 3.1Å; D105-R117 IonicContact OD1-NH2 3.32Å; D105-R117 PolarHBondContact OD1-NH2 2.71Å; D105-R117 VanDerWaalsContact OD1-NH2 3.1Å; D105-R117 IonicContact OD2-NH2 3.47Å; T113-R117 WeakPolarHBondContact O-CB 3.34Å; T113-R117 PolarHBondContact O-N 3.02Å; L114-R117 WeakPolarHBondContact O-CB 3.36Å; L114-R117 PolarHBondContact O-N 2.97Å; L114-R117 VanDerWaalsContact O-N 3.15Å; R117-S120 WeakPolarHBondContact O-CB 3.42Å; R117-S120 PolarHBondContact O-N 2.85Å; R117-W121 VanDerWaalsContact O-CD1 3.3Å; R117-W121 PolarHBondContact O-N 2.97Å |
| 118 | D | 86.3 | Confident | 85.9 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69 | -39.9 | -179 | -64.7 | -18.5 | 0 | 0 | 0 | 112 | L114 D115 S120 W121 L122 V144 K147 L149 | L114-D118 WeakPolarHBondContact O-CB 3.3Å; L114-D118 PolarHBondContact O-N 3.27Å; D115-D118 PolarHBondContact O-N 3.36Å; D118-S120 VanDerWaalsContact C-N 3.31Å; D118-S120 PolarHBondContact O-N 3.32Å; D118-W121 PolarHBondContact O-N 3.48Å; D118-L122 WeakPolarHBondContact O-CB 3.33Å; D118-L122 PolarHBondContact O-N 3.41Å; D118-V144 HydrophobicContact CB-CG1 4.15Å; D118-K147 HydrophobicContact CB-CD 4.44Å; D118-K147 WeakPolarHBondContact OD1-CD 3.21Å; D118-K147 WeakPolarHBondContact OD1-CE 3.33Å; D118-K147 IonicContact OD1-NZ 3.59Å; D118-K147 PolarHBondContact OD1-NZ 2.67Å; D118-K147 WeakPolarHBondContact OD2-CD 3.47Å; D118-K147 IonicContact OD2-NZ 3.6Å; D118-L149 HydrophobicContact CB-CD1 3.47Å; D118-L149 VanDerWaalsContact CB-CD1 3.47Å |
| 119 | T | 87.8 | Confident | 86.6 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.4 | -35.9 | 172.6 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | D115 L116 L122 Q123 L149 | D115-T119 WeakPolarHBondContact O-CB 3.35Å; D115-T119 VanDerWaalsContact O-CG2 3.23Å; D115-T119 WeakPolarHBondContact O-CG2 3.46Å; D115-T119 PolarHBondContact O-N 2.98Å; D115-T119 PolarHBondContact O-OG1 3.05Å; L116-T119 VanDerWaalsContact CA-OG1 3.31Å; L116-T119 WeakPolarHBondContact CA-OG1 3.3Å; L116-T119 PolarHBondContact O-OG1 3.27Å; T119-L122 PolarHBondContact O-N 3.46Å; T119-Q123 WeakPolarHBondContact O-CB 3.26Å; T119-Q123 VanDerWaalsContact O-CG 3.28Å; T119-Q123 WeakPolarHBondContact O-CG 3.37Å; T119-Q123 PolarHBondContact O-N 3.23Å; T119-L149 HydrophobicContact CG2-CD2 3.91Å |
| 120 | S | 89.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | L97 R101 L116 R117 D118 L122 Q123 S124 | L97-S120 PolarHBondContact O-OG 2.62Å; R101-S120 WeakPolarHBondContact CG-OG 3.35Å; R101-S120 PolarHBondContact NH1-OG 3.24Å; R101-S120 VanDerWaalsContact NH1-OG 3.12Å; L116-S120 WeakPolarHBondContact O-CB 3.42Å; L116-S120 PolarHBondContact O-N 3.24Å; R117-S120 WeakPolarHBondContact O-CB 3.42Å; R117-S120 PolarHBondContact O-N 2.85Å; D118-S120 VanDerWaalsContact C-N 3.31Å; D118-S120 PolarHBondContact O-N 3.32Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 3.45Å; S120-Q123 WeakPolarHBondContact O-CB 3.47Å; S120-Q123 PolarHBondContact O-N 3.18Å; S120-Q123 VanDerWaalsContact O-N 3.14Å; S120-S124 PolarHBondContact O-N 3.41Å |
| 121 | W | 91.5 | Very high | 87 | Confident | 54 Ų | 54 | 43 Ų | 43 | 21% | 0.205 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 174.7 | -79.4 | 120.8 | 0 | 0 | 0 | 112.3 | R101 R117 D118 Q123 S124 A125 N140 Q143 V144 | R101-W121 VanDerWaalsContact CD-CD2 3.5Å; R117-W121 VanDerWaalsContact O-CD1 3.3Å; R117-W121 PolarHBondContact O-N 2.97Å; D118-W121 PolarHBondContact O-N 3.48Å; W121-Q123 VanDerWaalsContact C-N 3.31Å; W121-Q123 PolarHBondContact O-N 3.45Å; W121-S124 PolarHBondContact O-N 3.07Å; W121-A125 PolarHBondContact O-N 2.94Å; W121-N140 HydrophobicContact CE3-CB 4.26Å; W121-N140 VanDerWaalsContact CZ3-OD1 3.24Å; W121-N140 WeakPolarHBondContact CZ3-OD1 3.21Å; W121-Q143 HydrophobicContact CD2-CB 4.24Å; W121-Q143 HydrophobicContact CD2-CG 4.44Å; W121-Q143 HydrophobicContact CG-CB 4.3Å; W121-V144 HydrophobicContact CB-CG2 3.34Å; W121-V144 HydrophobicContact CG-CG2 4.18Å |
| 122 | L | 90.8 | Very high | 87.2 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.8 | -177.4 | 73.2 | 0 | 0 | 0 | 112.3 | D118 T119 S120 A125 K126 T151 E155 | D118-L122 WeakPolarHBondContact O-CB 3.33Å; D118-L122 PolarHBondContact O-N 3.41Å; T119-L122 PolarHBondContact O-N 3.46Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 3.45Å; L122-A125 PolarHBondContact O-N 3.18Å; L122-K126 VanDerWaalsContact CD2-NZ 3.34Å; L122-K126 HydrophobicContact CG-CD 4.41Å; L122-K126 WeakPolarHBondContact O-CG 3.21Å; L122-K126 PolarHBondContact O-N 3.46Å; L122-T151 WeakPolarHBondContact CD2-OG1 3.42Å; L122-E155 HydrophobicContact CD1-CB 4.26Å; L122-E155 HydrophobicContact CD1-CG 3.86Å |
| 123 | Q | 89.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 173.8 | -75.1 | -179.9 | 6.4 | 0 | 0 | 111 | N80 L97 T119 S120 W121 A125 K126 V127 | N80-Q123 PolarHBondContact OD1-NE2 3.12Å; N80-Q123 VanDerWaalsContact OD1-NE2 3.12Å; L97-Q123 HydrophobicContact CD1-CB 4.04Å; L97-Q123 HydrophobicContact CD2-CB 4Å; L97-Q123 VanDerWaalsContact CD2-OE1 3.29Å; T119-Q123 WeakPolarHBondContact O-CB 3.26Å; T119-Q123 VanDerWaalsContact O-CG 3.28Å; T119-Q123 WeakPolarHBondContact O-CG 3.37Å; T119-Q123 PolarHBondContact O-N 3.23Å; S120-Q123 WeakPolarHBondContact O-CB 3.47Å; S120-Q123 PolarHBondContact O-N 3.18Å; S120-Q123 VanDerWaalsContact O-N 3.14Å; W121-Q123 VanDerWaalsContact C-N 3.31Å; W121-Q123 PolarHBondContact O-N 3.45Å; Q123-A125 PolarHBondContact O-N 2.94Å; Q123-K126 WeakPolarHBondContact O-CB 3.28Å; Q123-K126 PolarHBondContact O-N 2.98Å; Q123-V127 WeakPolarHBondContact O-CG2 3.34Å; Q123-V127 PolarHBondContact O-N 3.19Å |
| 124 | S | 91.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 175 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | L97 R101 S120 W121 K126 V127 A128 | L97-S124 WeakPolarHBondContact CB-OG 3.42Å; R101-S124 PolarHBondContact NH1-OG 2.98Å; R101-S124 PolarHBondContact NH2-OG 3.26Å; S120-S124 PolarHBondContact O-N 3.41Å; W121-S124 PolarHBondContact O-N 3.07Å; S124-K126 VanDerWaalsContact C-N 3.34Å; S124-K126 PolarHBondContact O-N 3.17Å; S124-V127 PolarHBondContact O-N 3.36Å; S124-A128 WeakPolarHBondContact O-CB 3.38Å; S124-A128 PolarHBondContact O-N 2.93Å |
| 125 | A | 91.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W121 L122 Q123 R129 N140 L141 | W121-A125 PolarHBondContact O-N 2.94Å; L122-A125 PolarHBondContact O-N 3.18Å; Q123-A125 PolarHBondContact O-N 2.94Å; A125-R129 VanDerWaalsContact O-CB 3.28Å; A125-R129 WeakPolarHBondContact O-CB 3.35Å; A125-R129 PolarHBondContact O-N 3.08Å; A125-N140 HydrophobicContact CB-CB 3.92Å; A125-L141 HydrophobicContact CB-CB 4.27Å |
| 126 | K | 91.2 | Very high | 89 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 22% | 0.222 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.4 | -76.6 | 165.2 | -178.2 | 166.7 | 0 | 112.8 | L122 Q123 S124 R130 E155 | L122-K126 VanDerWaalsContact CD2-NZ 3.34Å; L122-K126 HydrophobicContact CG-CD 4.41Å; L122-K126 WeakPolarHBondContact O-CG 3.21Å; L122-K126 PolarHBondContact O-N 3.46Å; Q123-K126 WeakPolarHBondContact O-CB 3.28Å; Q123-K126 PolarHBondContact O-N 2.98Å; S124-K126 VanDerWaalsContact C-N 3.34Å; S124-K126 PolarHBondContact O-N 3.17Å; K126-R130 WeakPolarHBondContact O-CG 3.33Å; K126-R130 PolarHBondContact O-N 3.18Å; K126-E155 HydrophobicContact CD-CG 4.37Å; K126-E155 WeakPolarHBondContact CE-OE1 3.45Å; K126-E155 HydrophobicContact CG-CG 3.87Å; K126-E155 WeakPolarHBondContact CG-OE2 3.33Å |
| 127 | V | 89.4 | Confident | 89.3 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -50.3 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | P90 Q93 L97 Q123 S124 R129 R130 A131 | P90-V127 HydrophobicContact CB-CG1 4.01Å; Q93-V127 HydrophobicContact CB-CG1 4.13Å; Q93-V127 HydrophobicContact CB-CG2 4.26Å; L97-V127 HydrophobicContact CD1-CG2 4.17Å; Q123-V127 WeakPolarHBondContact O-CG2 3.34Å; Q123-V127 PolarHBondContact O-N 3.19Å; S124-V127 PolarHBondContact O-N 3.36Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.12Å; V127-R130 PolarHBondContact O-N 3.44Å; V127-A131 PolarHBondContact O-N 2.97Å |
| 128 | A | 90.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | S124 R130 A131 G132 Y133 A137 | S124-A128 WeakPolarHBondContact O-CB 3.38Å; S124-A128 PolarHBondContact O-N 2.93Å; A128-R130 PolarHBondContact O-N 3.35Å; A128-A131 PolarHBondContact O-N 3.22Å; A128-G132 PolarHBondContact O-N 3.06Å; A128-Y133 PolarHBondContact O-N 3.03Å; A128-A137 HydrophobicContact CB-CB 3.85Å |
| 129 | R | 91.1 | Very high | 89.8 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.8 | -175.3 | 178.5 | 59.4 | 68.8 | 1.6 | 112.4 | A125 V127 A131 G132 A137 E155 L159 L162 | A125-R129 VanDerWaalsContact O-CB 3.28Å; A125-R129 WeakPolarHBondContact O-CB 3.35Å; A125-R129 PolarHBondContact O-N 3.08Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.12Å; R129-A131 PolarHBondContact O-N 3.49Å; R129-G132 PolarHBondContact O-N 2.92Å; R129-G132 VanDerWaalsContact O-N 3.08Å; R129-A137 HydrophobicContact CB-CB 4.18Å; R129-E155 IonicContact CZ-OE2 2.72Å; R129-E155 VanDerWaalsContact CZ-OE2 3.25Å; R129-E155 IonicContact NE-OE2 2.77Å; R129-E155 PolarHBondContact NE-OE2 3.36Å; R129-E155 IonicContact NH2-OE1 2.62Å; R129-E155 IonicContact NH2-OE2 3.8Å; R129-E155 PolarHBondContact NH2-OE2 3Å; R129-L159 HydrophobicContact CB-CD2 4Å; R129-L159 HydrophobicContact CG-CD2 3.72Å; R129-L162 HydrophobicContact CG-CD1 3.52Å |
| 130 | R | 85 | Confident | 89.9 | Confident | 191 Ų | 191 | 49.9 Ų | 49.9 | 72% | 0.721 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.4 | -28.6 | 178.6 | -75.4 | 176.4 | -176.7 | 177.1 | 2.8 | 112.6 | K126 V127 A128 G132 | K126-R130 WeakPolarHBondContact O-CG 3.33Å; K126-R130 PolarHBondContact O-N 3.18Å; V127-R130 PolarHBondContact O-N 3.44Å; A128-R130 PolarHBondContact O-N 3.35Å; R130-G132 VanDerWaalsContact C-N 3.31Å |
| 131 | A | 83.6 | Confident | 89.9 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 31% | 0.314 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P90 V127 A128 R129 Y133 | P90-A131 HydrophobicContact CB-CB 3.75Å; P90-A131 HydrophobicContact CG-CB 3.6Å; V127-A131 PolarHBondContact O-N 2.97Å; A128-A131 PolarHBondContact O-N 3.22Å; R129-A131 PolarHBondContact O-N 3.49Å; A131-Y133 HydrophobicContact CB-CD2 3.6Å; A131-Y133 HydrophobicContact CB-CE2 3.75Å; A131-Y133 HydrophobicContact CB-CG 4.4Å |
| 132 | G | 85.2 | Confident | 89.8 | Confident | 50 Ų | 50 | 50 Ų | 50 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 4.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A128 R129 R130 L134 | A128-G132 PolarHBondContact O-N 3.06Å; R129-G132 PolarHBondContact O-N 2.92Å; R129-G132 VanDerWaalsContact O-N 3.08Å; R130-G132 VanDerWaalsContact C-N 3.31Å; G132-L134 VanDerWaalsContact C-N 3.29Å; G132-L134 PolarHBondContact O-N 2.85Å |
| 133 | Y | 89.3 | Confident | 89.6 | Confident | 129 Ų | 129 | 54.8 Ų | 54.8 | 51% | 0.506 | 29% | 0.285 | S | S | . | . | trans | -80.7 | 74.2 | 176.7 | -57.4 | -48.9 | 0 | 0 | 0 | 111.2 | P90 A128 A131 H135 S136 A137 | P90-Y133 HydrophobicContact CB-CE2 4.3Å; P90-Y133 HydrophobicContact CG-CE2 4.06Å; A128-Y133 PolarHBondContact O-N 3.03Å; A131-Y133 HydrophobicContact CB-CD2 3.6Å; A131-Y133 HydrophobicContact CB-CE2 3.75Å; A131-Y133 HydrophobicContact CB-CG 4.4Å; Y133-H135 PolarHBondContact O-N 2.79Å; Y133-S136 PolarHBondContact O-N 2.84Å; Y133-A137 PolarHBondContact O-N 3.17Å | ||
| 134 | L | 89.9 | Confident | 89.4 | Confident | 58 Ų | 58 | 53 Ų | 53 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | -172.2 | -59.8 | -179.2 | 0 | 0 | 0 | 113.1 | G132 A137 W138 L159 L162 | G132-L134 VanDerWaalsContact C-N 3.29Å; G132-L134 PolarHBondContact O-N 2.85Å; L134-A137 PolarHBondContact O-N 3.44Å; L134-W138 VanDerWaalsContact O-CD1 3.24Å; L134-W138 PolarHBondContact O-N 3.03Å; L134-L159 HydrophobicContact CD2-CD2 4.28Å; L134-L162 HydrophobicContact CD1-CB 4.48Å; L134-L162 HydrophobicContact CD2-CB 3.84Å; L134-L162 HydrophobicContact CD2-CD1 3.79Å; L134-L162 HydrophobicContact CD2-CG 4.45Å |
| 135 | H | 91.2 | Very high | 88.7 | Confident | 163 Ų | 163 | 58.1 Ų | 58.1 | 76% | 0.755 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.7 | -47.3 | -178.8 | -177.7 | 66.3 | 0 | 0 | 0 | 112.2 | Y133 A137 W138 S139 | Y133-H135 PolarHBondContact O-N 2.79Å; H135-A137 VanDerWaalsContact C-N 3.29Å; H135-A137 PolarHBondContact O-N 2.7Å; H135-W138 PolarHBondContact O-N 3.43Å; H135-S139 PolarHBondContact O-N 3.21Å |
| 136 | S | 90.8 | Very high | 87.8 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | Y133 W138 S139 N140 | Y133-S136 PolarHBondContact O-N 2.84Å; S136-W138 PolarHBondContact O-N 3.41Å; S136-S139 PolarHBondContact O-N 3Å; S136-N140 WeakPolarHBondContact O-CB 3.48Å; S136-N140 VanDerWaalsContact O-CG 3.22Å; S136-N140 PolarHBondContact O-N 2.85Å; S136-N140 PolarHBondContact O-ND2 3.45Å; S136-N140 VanDerWaalsContact O-ND2 3.08Å |
| 137 | A | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A128 R129 Y133 L134 H135 N140 L141 L159 | A128-A137 HydrophobicContact CB-CB 3.85Å; R129-A137 HydrophobicContact CB-CB 4.18Å; Y133-A137 PolarHBondContact O-N 3.17Å; L134-A137 PolarHBondContact O-N 3.44Å; H135-A137 VanDerWaalsContact C-N 3.29Å; H135-A137 PolarHBondContact O-N 2.7Å; A137-N140 PolarHBondContact O-N 3.38Å; A137-L141 VanDerWaalsContact O-CB 3.31Å; A137-L141 WeakPolarHBondContact O-CB 3.24Å; A137-L141 PolarHBondContact O-N 3.45Å; A137-L159 HydrophobicContact CB-CD1 4.19Å; A137-L159 HydrophobicContact CB-CD2 3.6Å |
| 138 | W | 91.2 | Very high | 85.8 | Confident | 68 Ų | 68 | 76.9 Ų | 76.9 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.2 | -87.1 | 108.9 | 0 | 0 | 0 | 112.6 | L134 H135 S136 N140 L141 A142 E156 L159 L160 | L134-W138 VanDerWaalsContact O-CD1 3.24Å; L134-W138 PolarHBondContact O-N 3.03Å; H135-W138 PolarHBondContact O-N 3.43Å; S136-W138 PolarHBondContact O-N 3.41Å; W138-N140 VanDerWaalsContact C-N 3.31Å; W138-N140 PolarHBondContact O-N 3.04Å; W138-L141 HydrophobicContact CZ3-CD2 4.47Å; W138-L141 PolarHBondContact O-N 3.31Å; W138-L141 VanDerWaalsContact O-N 3.17Å; W138-A142 WeakPolarHBondContact O-CB 3.33Å; W138-A142 PolarHBondContact O-N 3.44Å; W138-E156 HydrophobicContact CH2-CG 3.93Å; W138-E156 HydrophobicContact CZ3-CG 4.17Å; W138-L159 HydrophobicContact CD2-CB 4.44Å; W138-L159 HydrophobicContact CD2-CD1 3.99Å; W138-L159 HydrophobicContact CE3-CD1 4.41Å; W138-L159 HydrophobicContact CG-CD1 4.17Å; W138-L159 HydrophobicContact CH2-CB 4.48Å; W138-L159 HydrophobicContact CZ2-CB 3.7Å; W138-L160 HydrophobicContact CH2-CD2 3.86Å; W138-L160 HydrophobicContact CH2-CG 3.99Å; W138-L160 HydrophobicContact CZ2-CD2 3.78Å; W138-L160 HydrophobicContact CZ2-CG 3.99Å |
| 139 | S | 92.4 | Very high | 84.8 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 177 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | H135 S136 L141 A142 | H135-S139 PolarHBondContact O-N 3.21Å; S136-S139 PolarHBondContact O-N 3Å; S139-L141 VanDerWaalsContact C-N 3.35Å; S139-A142 PolarHBondContact O-N 3.46Å |
| 140 | N | 89.8 | Confident | 83.8 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 10% | 0.096 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 177.3 | -69.9 | -31.6 | 0 | 0 | 0 | 112.3 | W121 A125 S136 A137 W138 | W121-N140 HydrophobicContact CE3-CB 4.26Å; W121-N140 VanDerWaalsContact CZ3-OD1 3.24Å; W121-N140 WeakPolarHBondContact CZ3-OD1 3.21Å; A125-N140 HydrophobicContact CB-CB 3.92Å; S136-N140 WeakPolarHBondContact O-CB 3.48Å; S136-N140 VanDerWaalsContact O-CG 3.22Å; S136-N140 PolarHBondContact O-N 2.85Å; S136-N140 PolarHBondContact O-ND2 3.45Å; S136-N140 VanDerWaalsContact O-ND2 3.08Å; A137-N140 PolarHBondContact O-N 3.38Å; W138-N140 VanDerWaalsContact C-N 3.31Å; W138-N140 PolarHBondContact O-N 3.04Å |
| 141 | L | 89.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.7 | -33.5 | 179.3 | -168.8 | 137 | 0 | 0 | 0 | 112.2 | A125 A137 W138 S139 Q143 V144 K145 V152 E155 E156 L159 | A125-L141 HydrophobicContact CB-CB 4.27Å; A137-L141 VanDerWaalsContact O-CB 3.31Å; A137-L141 WeakPolarHBondContact O-CB 3.24Å; A137-L141 PolarHBondContact O-N 3.45Å; W138-L141 HydrophobicContact CZ3-CD2 4.47Å; W138-L141 PolarHBondContact O-N 3.31Å; W138-L141 VanDerWaalsContact O-N 3.17Å; S139-L141 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 3.18Å; L141-V144 PolarHBondContact O-N 3.4Å; L141-K145 PolarHBondContact O-N 2.92Å; L141-V152 HydrophobicContact CD2-CG1 4.2Å; L141-V152 HydrophobicContact CG-CG1 4.25Å; L141-E155 HydrophobicContact CD1-CB 3.68Å; L141-E156 HydrophobicContact CD1-CB 4.39Å; L141-E156 HydrophobicContact CD2-CB 4.11Å; L141-E156 HydrophobicContact CD2-CG 4.44Å; L141-L159 HydrophobicContact CB-CD1 4.35Å; L141-L159 HydrophobicContact CD1-CD1 3.97Å |
| 142 | A | 89.2 | Confident | 83.5 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.5 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W138 S139 V144 K145 | W138-A142 WeakPolarHBondContact O-CB 3.33Å; W138-A142 PolarHBondContact O-N 3.44Å; S139-A142 PolarHBondContact O-N 3.46Å; A142-V144 PolarHBondContact O-N 3.41Å; A142-V144 VanDerWaalsContact O-N 3.15Å; A142-K145 PolarHBondContact O-N 2.71Å |
| 143 | Q | 87.3 | Confident | 83.5 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.1 | 177.3 | -61.1 | -60.1 | -29.1 | 0 | 0 | 114.1 | W121 L141 K147 | W121-Q143 HydrophobicContact CD2-CB 4.24Å; W121-Q143 HydrophobicContact CD2-CG 4.44Å; W121-Q143 HydrophobicContact CG-CB 4.3Å; L141-Q143 PolarHBondContact O-N 3.18Å; Q143-K147 WeakPolarHBondContact O-CE 3.4Å |
| 144 | V | 85.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -2.9 | -173.4 | -158.8 | 0 | 0 | 0 | 0 | 112.2 | D118 W121 L141 A142 D146 K147 L149 V152 | D118-V144 HydrophobicContact CB-CG1 4.15Å; W121-V144 HydrophobicContact CB-CG2 3.34Å; W121-V144 HydrophobicContact CG-CG2 4.18Å; L141-V144 PolarHBondContact O-N 3.4Å; A142-V144 PolarHBondContact O-N 3.41Å; A142-V144 VanDerWaalsContact O-N 3.15Å; V144-D146 VanDerWaalsContact C-N 3.35Å; V144-D146 PolarHBondContact O-N 3.46Å; V144-K147 HydrophobicContact CG1-CB 4.26Å; V144-K147 PolarHBondContact O-N 3.41Å; V144-K147 VanDerWaalsContact O-N 3.12Å; V144-L149 HydrophobicContact CG1-CD1 3.5Å; V144-L149 VanDerWaalsContact CG1-CD1 3.5Å; V144-V152 HydrophobicContact CB-CG2 4.26Å; V144-V152 HydrophobicContact CG1-CG2 3.73Å |
| 145 | K | 76.4 | Confident | 83.4 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -39.9 | -168.3 | -166.9 | 167.2 | 175.3 | 161.7 | 0 | 113.7 | L141 A142 K147 E156 | L141-K145 PolarHBondContact O-N 2.92Å; A142-K145 PolarHBondContact O-N 2.71Å; K145-K147 VanDerWaalsContact C-N 3.33Å; K145-E156 WeakPolarHBondContact CE-OE1 3.35Å; K145-E156 IonicContact NZ-OE1 3.92Å; K145-E156 PolarHBondContact NZ-OE1 2.9Å |
| 146 | D | 72.2 | Confident | 83.3 | Confident | 160 Ų | 160 | 54.5 Ų | 54.5 | 86% | 0.856 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5.8 | -177.4 | -58.8 | -34.8 | 0 | 0 | 0 | 113.6 | V144 | V144-D146 VanDerWaalsContact C-N 3.35Å; V144-D146 PolarHBondContact O-N 3.46Å |
| 147 | K | 73.1 | Confident | 83.3 | Confident | 79 Ų | 79 | 52 Ų | 52 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -96.8 | 164 | -171 | -55.3 | -159.7 | -176.6 | -170.3 | 0 | 113 | D118 Q143 V144 K145 L149 | D118-K147 HydrophobicContact CB-CD 4.44Å; D118-K147 WeakPolarHBondContact OD1-CD 3.21Å; D118-K147 WeakPolarHBondContact OD1-CE 3.33Å; D118-K147 IonicContact OD1-NZ 3.59Å; D118-K147 PolarHBondContact OD1-NZ 2.67Å; D118-K147 WeakPolarHBondContact OD2-CD 3.47Å; D118-K147 IonicContact OD2-NZ 3.6Å; Q143-K147 WeakPolarHBondContact O-CE 3.4Å; V144-K147 HydrophobicContact CG1-CB 4.26Å; V144-K147 PolarHBondContact O-N 3.41Å; V144-K147 VanDerWaalsContact O-N 3.12Å; K145-K147 VanDerWaalsContact C-N 3.33Å; K147-L149 PolarHBondContact O-N 3.15Å |
| 148 | R | 66.3 | Low | 83.3 | Confident | 221 Ų | 221 | 54 Ų | 54 | 83% | 0.834 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -65.7 | -9.5 | -169.3 | -72.5 | -176.5 | 178.5 | 175.3 | 0.3 | 115.2 | H150 K180 | R148-H150 PolarHBondContact O-N 3.42Å; R148-H150 VanDerWaalsContact O-N 3.14Å; R148-K180 PolarHBondContact O-NZ 3.23Å |
| 149 | L | 70.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | trans | -61.8 | 115.6 | -176 | -80.4 | 160.1 | 0 | 0 | 0 | 113.3 | D118 T119 V144 K147 T151 V152 | D118-L149 HydrophobicContact CB-CD1 3.47Å; D118-L149 VanDerWaalsContact CB-CD1 3.47Å; T119-L149 HydrophobicContact CG2-CD2 3.91Å; V144-L149 HydrophobicContact CG1-CD1 3.5Å; V144-L149 VanDerWaalsContact CG1-CD1 3.5Å; K147-L149 PolarHBondContact O-N 3.15Å; L149-T151 PolarHBondContact O-N 3.18Å; L149-V152 HydrophobicContact CB-CG2 3.7Å; L149-V152 PolarHBondContact O-N 3.01Å | ||
| 150 | H | 70.4 | Confident | 83.3 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -5.7 | 175.3 | -65.6 | -95.1 | 0 | 0 | 0 | 114 | R148 F153 K180 F181 L199 | R148-H150 PolarHBondContact O-N 3.42Å; R148-H150 VanDerWaalsContact O-N 3.14Å; H150-F153 VanDerWaalsContact O-CD1 3.26Å; H150-F153 WeakPolarHBondContact O-CD1 3.47Å; H150-F153 WeakPolarHBondContact O-CE1 3.35Å; H150-K180 HydrophobicContact CB-CD 4.45Å; H150-K180 WeakPolarHBondContact ND1-CD 3.35Å; H150-F181 HydrophobicContact CB-CZ 4.27Å; H150-L199 HydrophobicContact CB-CD1 4.26Å |
| 151 | T | 78.5 | Confident | 83.3 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -15.9 | -176.9 | 40.3 | 0 | 0 | 0 | 0 | 114.5 | L122 L149 F153 T154 E155 L199 | L122-T151 WeakPolarHBondContact CD2-OG1 3.42Å; L149-T151 PolarHBondContact O-N 3.18Å; T151-F153 PolarHBondContact O-N 3.35Å; T151-T154 PolarHBondContact O-N 3.06Å; T151-T154 VanDerWaalsContact O-N 3.15Å; T151-T154 PolarHBondContact O-OG1 3.5Å; T151-E155 PolarHBondContact O-N 2.97Å; T151-L199 HydrophobicContact CG2-CD1 4.44Å; T151-L199 HydrophobicContact CG2-CD2 3.12Å; T151-L199 HydrophobicContact CG2-CG 4.4Å |
| 152 | V | 83.2 | Confident | 83.2 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | -169.3 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | L141 V144 L149 T154 E155 E156 | L141-V152 HydrophobicContact CD2-CG1 4.2Å; L141-V152 HydrophobicContact CG-CG1 4.25Å; V144-V152 HydrophobicContact CB-CG2 4.26Å; V144-V152 HydrophobicContact CG1-CG2 3.73Å; L149-V152 HydrophobicContact CB-CG2 3.7Å; L149-V152 PolarHBondContact O-N 3.01Å; V152-T154 PolarHBondContact O-N 3.27Å; V152-T154 VanDerWaalsContact O-N 3.16Å; V152-E155 PolarHBondContact O-N 2.62Å; V152-E156 PolarHBondContact O-N 3.37Å |
| 153 | F | 85.7 | Confident | 83.2 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.1 | -33.5 | 179 | 79.1 | -93.8 | 0 | 0 | 0 | 112.5 | H150 T151 E155 E156 A157 L173 I177 F181 A203 | H150-F153 VanDerWaalsContact O-CD1 3.26Å; H150-F153 WeakPolarHBondContact O-CD1 3.47Å; H150-F153 WeakPolarHBondContact O-CE1 3.35Å; T151-F153 PolarHBondContact O-N 3.35Å; F153-E155 VanDerWaalsContact C-N 3.31Å; F153-E155 PolarHBondContact O-N 3.12Å; F153-E156 PolarHBondContact O-N 3.17Å; F153-A157 WeakPolarHBondContact O-CB 3.49Å; F153-A157 PolarHBondContact O-N 3.45Å; F153-L173 HydrophobicContact CD2-CD2 4.14Å; F153-L173 HydrophobicContact CE2-CD2 4.13Å; F153-I177 HydrophobicContact CE2-CG1 4.22Å; F153-I177 HydrophobicContact CZ-CG1 4.45Å; F153-F181 AromaticContact CE1-CE2 3.93Å; F153-F181 HydrophobicContact CE1-CE2 3.93Å; F153-F181 HydrophobicContact CZ-CD2 4.44Å; F153-F181 AromaticContact CZ-CE2 3.87Å; F153-F181 HydrophobicContact CZ-CE2 3.87Å; F153-A203 HydrophobicContact CE2-CB 3.84Å; F153-A203 HydrophobicContact CZ-CB 3.77Å |
| 154 | T | 87.5 | Confident | 83.2 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.8 | -26.8 | 177.8 | 71.4 | 0 | 0 | 0 | 0 | 113.1 | T151 V152 K158 A203 | T151-T154 PolarHBondContact O-N 3.06Å; T151-T154 VanDerWaalsContact O-N 3.15Å; T151-T154 PolarHBondContact O-OG1 3.5Å; V152-T154 PolarHBondContact O-N 3.27Å; V152-T154 VanDerWaalsContact O-N 3.16Å; T154-K158 WeakPolarHBondContact O-CD 3.43Å; T154-K158 WeakPolarHBondContact O-CE 3.47Å; T154-K158 VanDerWaalsContact O-CG 3.24Å; T154-K158 WeakPolarHBondContact O-CG 3.3Å; T154-A203 HydrophobicContact CG2-CB 3.84Å |
| 155 | E | 88.2 | Confident | 83.4 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -86 | -35.1 | 173.9 | -69 | -57.6 | 142.2 | 0 | 0 | 111.4 | L122 K126 R129 L141 T151 V152 F153 K158 L159 | L122-E155 HydrophobicContact CD1-CB 4.26Å; L122-E155 HydrophobicContact CD1-CG 3.86Å; K126-E155 HydrophobicContact CD-CG 4.37Å; K126-E155 WeakPolarHBondContact CE-OE1 3.45Å; K126-E155 HydrophobicContact CG-CG 3.87Å; K126-E155 WeakPolarHBondContact CG-OE2 3.33Å; R129-E155 IonicContact CZ-OE2 2.72Å; R129-E155 VanDerWaalsContact CZ-OE2 3.25Å; R129-E155 IonicContact NE-OE2 2.77Å; R129-E155 PolarHBondContact NE-OE2 3.36Å; R129-E155 IonicContact NH2-OE1 2.62Å; R129-E155 IonicContact NH2-OE2 3.8Å; R129-E155 PolarHBondContact NH2-OE2 3Å; L141-E155 HydrophobicContact CD1-CB 3.68Å; T151-E155 PolarHBondContact O-N 2.97Å; V152-E155 PolarHBondContact O-N 2.62Å; F153-E155 VanDerWaalsContact C-N 3.31Å; F153-E155 PolarHBondContact O-N 3.12Å; E155-K158 PolarHBondContact O-N 3.36Å; E155-K158 VanDerWaalsContact O-N 3.16Å; E155-K158 IonicContact OE1-NZ 3.93Å; E155-K158 PolarHBondContact OE1-NZ 2.84Å; E155-K158 IonicContact OE2-NZ 2.67Å; E155-L159 PolarHBondContact O-N 2.91Å |
| 156 | E | 90.1 | Very high | 84 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 172.3 | -175.6 | 168.6 | -158.2 | 0 | 0 | 110.9 | W138 L141 K145 V152 F153 K158 L159 L160 | W138-E156 HydrophobicContact CH2-CG 3.93Å; W138-E156 HydrophobicContact CZ3-CG 4.17Å; L141-E156 HydrophobicContact CD1-CB 4.39Å; L141-E156 HydrophobicContact CD2-CB 4.11Å; L141-E156 HydrophobicContact CD2-CG 4.44Å; K145-E156 WeakPolarHBondContact CE-OE1 3.35Å; K145-E156 IonicContact NZ-OE1 3.92Å; K145-E156 PolarHBondContact NZ-OE1 2.9Å; V152-E156 PolarHBondContact O-N 3.37Å; F153-E156 PolarHBondContact O-N 3.17Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 3.13Å; E156-L159 WeakPolarHBondContact O-CB 3.48Å; E156-L159 PolarHBondContact O-N 3.29Å; E156-L160 HydrophobicContact CG-CD1 4.22Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 3.41Å |
| 157 | A | 90.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F153 L159 W161 A169 L173 | F153-A157 WeakPolarHBondContact O-CB 3.49Å; F153-A157 PolarHBondContact O-N 3.45Å; A157-L159 VanDerWaalsContact C-N 3.34Å; A157-W161 WeakPolarHBondContact O-CB 3.35Å; A157-W161 PolarHBondContact O-N 2.86Å; A157-A169 WeakPolarHBondContact O-CB 3.17Å; A157-L173 HydrophobicContact CB-CD1 3.95Å; A157-L173 HydrophobicContact CB-CD2 3.54Å; A157-L173 HydrophobicContact CB-CG 3.45Å; A157-L173 VanDerWaalsContact CB-CG 3.45Å |
| 158 | K | 92.5 | Very high | 85.7 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -33.5 | 176.6 | -69.6 | 169.3 | -160.9 | 162.2 | 0 | 112.3 | T154 E155 E156 L162 L206 | T154-K158 WeakPolarHBondContact O-CD 3.43Å; T154-K158 WeakPolarHBondContact O-CE 3.47Å; T154-K158 VanDerWaalsContact O-CG 3.24Å; T154-K158 WeakPolarHBondContact O-CG 3.3Å; E155-K158 PolarHBondContact O-N 3.36Å; E155-K158 VanDerWaalsContact O-N 3.16Å; E155-K158 IonicContact OE1-NZ 3.93Å; E155-K158 PolarHBondContact OE1-NZ 2.84Å; E155-K158 IonicContact OE2-NZ 2.67Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 3.13Å; K158-L162 WeakPolarHBondContact O-CG 3.46Å; K158-L162 PolarHBondContact O-N 2.88Å; K158-L206 HydrophobicContact CD-CD2 4.39Å; K158-L206 HydrophobicContact CG-CD1 4.49Å; K158-L206 HydrophobicContact CG-CD2 3.84Å |
| 159 | L | 90.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.3 | -43.4 | 176.5 | -71.4 | 174.8 | 0 | 0 | 0 | 111.4 | R129 L134 A137 W138 L141 E155 E156 A157 W161 L162 K163 | R129-L159 HydrophobicContact CB-CD2 4Å; R129-L159 HydrophobicContact CG-CD2 3.72Å; L134-L159 HydrophobicContact CD2-CD2 4.28Å; A137-L159 HydrophobicContact CB-CD1 4.19Å; A137-L159 HydrophobicContact CB-CD2 3.6Å; W138-L159 HydrophobicContact CD2-CB 4.44Å; W138-L159 HydrophobicContact CD2-CD1 3.99Å; W138-L159 HydrophobicContact CE3-CD1 4.41Å; W138-L159 HydrophobicContact CG-CD1 4.17Å; W138-L159 HydrophobicContact CH2-CB 4.48Å; W138-L159 HydrophobicContact CZ2-CB 3.7Å; L141-L159 HydrophobicContact CB-CD1 4.35Å; L141-L159 HydrophobicContact CD1-CD1 3.97Å; E155-L159 PolarHBondContact O-N 2.91Å; E156-L159 WeakPolarHBondContact O-CB 3.48Å; E156-L159 PolarHBondContact O-N 3.29Å; A157-L159 VanDerWaalsContact C-N 3.34Å; L159-W161 VanDerWaalsContact C-N 3.29Å; L159-W161 PolarHBondContact O-N 3.02Å; L159-L162 PolarHBondContact O-N 2.91Å; L159-K163 PolarHBondContact O-N 3.18Å; L159-K163 VanDerWaalsContact O-N 3.1Å |
| 160 | L | 91.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 173.7 | -70.1 | 170.5 | 0 | 0 | 0 | 111.2 | W138 E156 L162 K163 N164 Q165 E168 A169 C172 | W138-L160 HydrophobicContact CH2-CD2 3.86Å; W138-L160 HydrophobicContact CH2-CG 3.99Å; W138-L160 HydrophobicContact CZ2-CD2 3.78Å; W138-L160 HydrophobicContact CZ2-CG 3.99Å; E156-L160 HydrophobicContact CG-CD1 4.22Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 3.41Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 2.91Å; L160-K163 PolarHBondContact O-N 3.14Å; L160-K163 VanDerWaalsContact O-N 3.07Å; L160-N164 PolarHBondContact O-N 3.1Å; L160-Q165 PolarHBondContact O-N 3.22Å; L160-Q165 VanDerWaalsContact O-N 3.1Å; L160-E168 HydrophobicContact CD1-CB 4.3Å; L160-A169 HydrophobicContact CB-CB 3.79Å; L160-C172 HydrophobicContact CD1-CB 4.22Å |
| 161 | W | 90.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 13% | 0.129 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.7 | -169.5 | -91.4 | 0 | 0 | 0 | 112.6 | A157 L159 K163 N164 Q166 A169 Y210 Q213 | A157-W161 WeakPolarHBondContact O-CB 3.35Å; A157-W161 PolarHBondContact O-N 2.86Å; L159-W161 VanDerWaalsContact C-N 3.29Å; L159-W161 PolarHBondContact O-N 3.02Å; W161-K163 PolarHBondContact O-N 3.1Å; W161-N164 PolarHBondContact O-N 3.1Å; W161-N164 VanDerWaalsContact O-N 3.16Å; W161-Q166 HydrophobicContact CE3-CB 4.25Å; W161-Q166 HydrophobicContact CE3-CG 4.15Å; W161-Q166 HydrophobicContact CH2-CB 4.44Å; W161-Q166 HydrophobicContact CH2-CG 4.15Å; W161-Q166 HydrophobicContact CZ3-CB 3.85Å; W161-Q166 HydrophobicContact CZ3-CG 3.9Å; W161-A169 HydrophobicContact CB-CB 4.3Å; W161-A169 HydrophobicContact CE3-CB 4.11Å; W161-Y210 HydrophobicContact CB-CE1 4.45Å; W161-Y210 HydrophobicContact CB-CE2 3.74Å; W161-Y210 AromaticContact CD1-CE1 3.85Å; W161-Y210 AromaticContact CD1-CZ 3.88Å; W161-Y210 AromaticContact CD2-CD1 3.74Å; W161-Y210 HydrophobicContact CD2-CD1 3.74Å; W161-Y210 AromaticContact CD2-CD2 3.88Å; W161-Y210 HydrophobicContact CD2-CD2 3.88Å; W161-Y210 AromaticContact CD2-CE1 3.69Å; W161-Y210 HydrophobicContact CD2-CE1 3.69Å; W161-Y210 AromaticContact CD2-CE2 3.86Å; W161-Y210 HydrophobicContact CD2-CE2 3.86Å; W161-Y210 AromaticContact CD2-CG 3.83Å; W161-Y210 HydrophobicContact CD2-CG 3.83Å; W161-Y210 AromaticContact CD2-CZ 3.74Å; W161-Y210 AromaticContact CE2-CD1 3.73Å; W161-Y210 AromaticContact CE2-CE1 3.79Å; W161-Y210 AromaticContact CE3-CD1 3.98Å; W161-Y210 HydrophobicContact CE3-CD1 3.98Å; W161-Y210 AromaticContact CE3-CD2 3.54Å; W161-Y210 HydrophobicContact CE3-CD2 3.54Å; W161-Y210 HydrophobicContact CE3-CE1 4.3Å; W161-Y210 AromaticContact CE3-CE2 3.92Å; W161-Y210 HydrophobicContact CE3-CE2 3.92Å; W161-Y210 AromaticContact CE3-CG 3.57Å; W161-Y210 HydrophobicContact CE3-CG 3.57Å; W161-Y210 HydrophobicContact CG-CD1 4.28Å; W161-Y210 HydrophobicContact CG-CD2 4.32Å; W161-Y210 AromaticContact CG-CE1 3.73Å; W161-Y210 HydrophobicContact CG-CE1 3.73Å; W161-Y210 AromaticContact CG-CE2 3.8Å; W161-Y210 HydrophobicContact CG-CE2 3.8Å; W161-Y210 AromaticContact CG-CZ 3.45Å; W161-Y210 VanDerWaalsContact CG-CZ 3.45Å; W161-Y210 HydrophobicContact CH2-CD1 4.19Å; W161-Y210 HydrophobicContact CH2-CG 4.09Å; W161-Y210 WeakPolarHBondContact CH2-O 3.46Å; W161-Y210 AromaticContact CZ2-CD1 3.97Å; W161-Y210 HydrophobicContact CZ2-CD1 3.97Å; W161-Y210 HydrophobicContact CZ2-CE1 4.46Å; W161-Y210 HydrophobicContact CZ2-CG 4.32Å; W161-Y210 HydrophobicContact CZ3-CD1 4.2Å; W161-Y210 HydrophobicContact CZ3-CD2 4.07Å; W161-Y210 AromaticContact CZ3-CG 3.72Å; W161-Y210 HydrophobicContact CZ3-CG 3.72Å; W161-Y210 AromaticContact NE1-CE1 3.85Å; W161-Q213 HydrophobicContact CH2-CB 4.07Å; W161-Q213 HydrophobicContact CZ2-CB 3.75Å |
| 162 | L | 88.5 | Confident | 89.2 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 44% | 0.44 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.1 | -21.6 | 177.4 | -72 | 170.6 | 0 | 0 | 0 | 113.4 | R129 L134 K158 L159 L160 N164 | R129-L162 HydrophobicContact CG-CD1 3.52Å; L134-L162 HydrophobicContact CD1-CB 4.48Å; L134-L162 HydrophobicContact CD2-CB 3.84Å; L134-L162 HydrophobicContact CD2-CD1 3.79Å; L134-L162 HydrophobicContact CD2-CG 4.45Å; K158-L162 WeakPolarHBondContact O-CG 3.46Å; K158-L162 PolarHBondContact O-N 2.88Å; L159-L162 PolarHBondContact O-N 2.91Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 2.91Å; L162-N164 VanDerWaalsContact C-N 3.26Å |
| 163 | K | 88.2 | Confident | 89.4 | Confident | 121 Ų | 121 | 48.2 Ų | 48.2 | 53% | 0.526 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5.7 | 174.5 | -165 | 174.9 | 159.3 | -142.2 | 0 | 112.6 | L159 L160 W161 Q165 | L159-K163 PolarHBondContact O-N 3.18Å; L159-K163 VanDerWaalsContact O-N 3.1Å; L160-K163 PolarHBondContact O-N 3.14Å; L160-K163 VanDerWaalsContact O-N 3.07Å; W161-K163 PolarHBondContact O-N 3.1Å; K163-Q165 VanDerWaalsContact CD-OE1 3.27Å; K163-Q165 PolarHBondContact O-N 3.19Å |
| 164 | N | 86.8 | Confident | 89.5 | Confident | 132 Ų | 132 | 48.6 Ų | 48.6 | 71% | 0.706 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 17.9 | -173.2 | -74.1 | -19.7 | 0 | 0 | 0 | 115.1 | L160 W161 L162 Q166 | L160-N164 PolarHBondContact O-N 3.1Å; W161-N164 PolarHBondContact O-N 3.1Å; W161-N164 VanDerWaalsContact O-N 3.16Å; L162-N164 VanDerWaalsContact C-N 3.26Å; N164-Q166 VanDerWaalsContact C-N 3.34Å; N164-Q166 PolarHBondContact O-N 3.47Å |
| 165 | Q | 90.3 | Very high | 89.5 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | trans | -89.8 | 72.9 | 171.2 | -65.9 | 178.9 | -76.1 | 0 | 0 | 109.2 | L160 K163 E168 A169 | L160-Q165 PolarHBondContact O-N 3.22Å; L160-Q165 VanDerWaalsContact O-N 3.1Å; K163-Q165 VanDerWaalsContact CD-OE1 3.27Å; K163-Q165 PolarHBondContact O-N 3.19Å; Q165-E168 HydrophobicContact CB-CB 4.28Å; Q165-E168 HydrophobicContact CB-CG 4.48Å; Q165-E168 VanDerWaalsContact CD-OE2 3.28Å; Q165-E168 PolarHBondContact NE2-OE1 2.99Å; Q165-E168 PolarHBondContact NE2-OE2 2.98Å; Q165-A169 WeakPolarHBondContact O-CB 3.38Å; Q165-A169 PolarHBondContact O-N 3.49Å; Q165-A169 VanDerWaalsContact O-N 3.16Å | ||
| 166 | Q | 89.9 | Confident | 89.3 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | -169.4 | -64.7 | -177.7 | -0.2 | 0 | 0 | 113.4 | W161 N164 A169 L170 | W161-Q166 HydrophobicContact CE3-CB 4.25Å; W161-Q166 HydrophobicContact CE3-CG 4.15Å; W161-Q166 HydrophobicContact CH2-CB 4.44Å; W161-Q166 HydrophobicContact CH2-CG 4.15Å; W161-Q166 HydrophobicContact CZ3-CB 3.85Å; W161-Q166 HydrophobicContact CZ3-CG 3.9Å; N164-Q166 VanDerWaalsContact C-N 3.34Å; N164-Q166 PolarHBondContact O-N 3.47Å; Q166-A169 PolarHBondContact O-N 3.2Å; Q166-L170 WeakPolarHBondContact O-CG 3.5Å; Q166-L170 PolarHBondContact O-N 3.5Å; Q166-L170 VanDerWaalsContact O-N 3.16Å |
| 167 | E | 89.7 | Confident | 89 | Confident | 151 Ų | 151 | 53.9 Ų | 53.9 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.9 | -49.5 | 179.7 | -65.3 | -173.9 | 165.7 | 0 | 0 | 111.4 | A169 L170 D171 | E167-A169 PolarHBondContact O-N 3.34Å; E167-L170 WeakPolarHBondContact O-CA 3.34Å; E167-L170 WeakPolarHBondContact O-CB 3.41Å; E167-L170 PolarHBondContact O-N 3.37Å; E167-D171 PolarHBondContact O-N 2.95Å |
| 168 | E | 89.8 | Confident | 88.6 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.9 | -37.1 | 175.5 | -64.9 | 174.9 | -151.9 | 0 | 0 | 112.2 | L160 Q165 C172 | L160-E168 HydrophobicContact CD1-CB 4.3Å; Q165-E168 HydrophobicContact CB-CB 4.28Å; Q165-E168 HydrophobicContact CB-CG 4.48Å; Q165-E168 VanDerWaalsContact CD-OE2 3.28Å; Q165-E168 PolarHBondContact NE2-OE1 2.99Å; Q165-E168 PolarHBondContact NE2-OE2 2.98Å; E168-C172 WeakPolarHBondContact O-CB 3.38Å; E168-C172 PolarHBondContact O-N 3.5Å |
| 169 | A | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A157 L160 W161 Q165 Q166 E167 L173 | A157-A169 WeakPolarHBondContact O-CB 3.17Å; L160-A169 HydrophobicContact CB-CB 3.79Å; W161-A169 HydrophobicContact CB-CB 4.3Å; W161-A169 HydrophobicContact CE3-CB 4.11Å; Q165-A169 WeakPolarHBondContact O-CB 3.38Å; Q165-A169 PolarHBondContact O-N 3.49Å; Q165-A169 VanDerWaalsContact O-N 3.16Å; Q166-A169 PolarHBondContact O-N 3.2Å; E167-A169 PolarHBondContact O-N 3.34Å; A169-L173 WeakPolarHBondContact O-CG 3.42Å; A169-L173 PolarHBondContact O-N 2.92Å |
| 170 | L | 90 | Very high | 87.2 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.9 | -45.8 | 176.2 | -71.2 | 171.3 | 0 | 0 | 0 | 111 | Q166 E167 C172 L173 D174 L207 A211 S216 | Q166-L170 WeakPolarHBondContact O-CG 3.5Å; Q166-L170 PolarHBondContact O-N 3.5Å; Q166-L170 VanDerWaalsContact O-N 3.16Å; E167-L170 WeakPolarHBondContact O-CA 3.34Å; E167-L170 WeakPolarHBondContact O-CB 3.41Å; E167-L170 PolarHBondContact O-N 3.37Å; L170-C172 VanDerWaalsContact C-N 3.33Å; L170-C172 PolarHBondContact O-N 2.92Å; L170-L173 WeakPolarHBondContact O-CB 3.47Å; L170-L173 PolarHBondContact O-N 3.31Å; L170-L173 VanDerWaalsContact O-N 3.07Å; L170-D174 PolarHBondContact O-N 3.08Å; L170-L207 HydrophobicContact CD2-CD1 3.87Å; L170-A211 HydrophobicContact CD2-CB 4.4Å; L170-S216 WeakPolarHBondContact CD1-OG 3.36Å |
| 171 | D | 89.6 | Confident | 86.3 | Confident | 104 Ų | 104 | 68.1 Ų | 68.1 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 178.6 | -70.5 | -21.2 | 0 | 0 | 0 | 111.7 | E167 L173 D174 H175 | E167-D171 PolarHBondContact O-N 2.95Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 2.92Å; D171-D174 PolarHBondContact O-N 2.94Å; D171-H175 VanDerWaalsContact O-CB 3.23Å; D171-H175 WeakPolarHBondContact O-CB 3.37Å; D171-H175 PolarHBondContact O-N 3.26Å |
| 172 | C | 89.4 | Confident | 85 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | L160 E168 L170 G176 | L160-C172 HydrophobicContact CD1-CB 4.22Å; E168-C172 WeakPolarHBondContact O-CB 3.38Å; E168-C172 PolarHBondContact O-N 3.5Å; L170-C172 VanDerWaalsContact C-N 3.33Å; L170-C172 PolarHBondContact O-N 2.92Å; C172-G176 PolarHBondContact O-N 2.9Å |
| 173 | L | 88.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.8 | -45.7 | 177.4 | -72.3 | 171.6 | 0 | 0 | 0 | 112.4 | F153 A157 A169 L170 D171 G176 I177 L206 L207 Y210 | F153-L173 HydrophobicContact CD2-CD2 4.14Å; F153-L173 HydrophobicContact CE2-CD2 4.13Å; A157-L173 HydrophobicContact CB-CD1 3.95Å; A157-L173 HydrophobicContact CB-CD2 3.54Å; A157-L173 HydrophobicContact CB-CG 3.45Å; A157-L173 VanDerWaalsContact CB-CG 3.45Å; A169-L173 WeakPolarHBondContact O-CG 3.42Å; A169-L173 PolarHBondContact O-N 2.92Å; L170-L173 WeakPolarHBondContact O-CB 3.47Å; L170-L173 PolarHBondContact O-N 3.31Å; L170-L173 VanDerWaalsContact O-N 3.07Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 2.92Å; L173-G176 PolarHBondContact O-N 3.31Å; L173-I177 WeakPolarHBondContact O-CB 3.41Å; L173-I177 WeakPolarHBondContact O-CD1 3.36Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.95Å; L173-L206 HydrophobicContact CD1-CD2 4.15Å; L173-L206 HydrophobicContact CD1-CG 4.07Å; L173-L206 HydrophobicContact CD2-CD2 4.04Å; L173-L207 HydrophobicContact CB-CB 4.3Å; L173-L207 HydrophobicContact CB-CD1 3.64Å; L173-L207 HydrophobicContact CB-CG 4.48Å; L173-L207 HydrophobicContact CD1-CB 4.18Å; L173-L207 HydrophobicContact CD1-CD1 4.24Å; L173-Y210 HydrophobicContact CD1-CD2 3.72Å; L173-Y210 HydrophobicContact CD1-CE2 4.2Å |
| 174 | D | 87.6 | Confident | 82.1 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 177.7 | -79.6 | -49 | 0 | 0 | 0 | 110.9 | L170 D171 I177 R178 L207 R217 | L170-D174 PolarHBondContact O-N 3.08Å; D171-D174 PolarHBondContact O-N 2.94Å; D174-I177 PolarHBondContact O-N 3.45Å; D174-R178 WeakPolarHBondContact O-CB 3.3Å; D174-R178 VanDerWaalsContact O-CG 3.28Å; D174-R178 WeakPolarHBondContact O-CG 3.38Å; D174-R178 PolarHBondContact O-N 3.12Å; D174-L207 VanDerWaalsContact OD1-CD2 3.3Å; D174-L207 WeakPolarHBondContact OD1-CD2 3.44Å; D174-R217 IonicContact OD1-NH2 3.87Å; D174-R217 PolarHBondContact OD1-NH2 3.15Å; D174-R217 IonicContact OD2-CZ 2.78Å; D174-R217 IonicContact OD2-NH2 3.53Å; D174-R217 PolarHBondContact OD2-NH2 3.09Å |
| 175 | H | 87.4 | Confident | 80.5 | Confident | 136 Ų | 136 | 62.2 Ų | 62.2 | 63% | 0.63 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.5 | -47.1 | 177.7 | -175.4 | 78.6 | 0 | 0 | 0 | 111.5 | D171 I177 R178 S179 | D171-H175 VanDerWaalsContact O-CB 3.23Å; D171-H175 WeakPolarHBondContact O-CB 3.37Å; D171-H175 PolarHBondContact O-N 3.26Å; H175-I177 VanDerWaalsContact C-N 3.34Å; H175-I177 PolarHBondContact O-N 2.9Å; H175-R178 PolarHBondContact O-N 3.22Å; H175-S179 WeakPolarHBondContact O-CB 3.29Å; H175-S179 PolarHBondContact O-N 3.32Å |
| 176 | G | 83.4 | Confident | 78.6 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C172 L173 K180 | C172-G176 PolarHBondContact O-N 2.9Å; L173-G176 PolarHBondContact O-N 3.31Å; G176-K180 WeakPolarHBondContact O-CB 3.37Å; G176-K180 PolarHBondContact O-N 3.41Å; G176-K180 VanDerWaalsContact O-N 3.09Å |
| 177 | I | 83.9 | Confident | 76.7 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.7 | -46.3 | 177 | -69 | 165.8 | 0 | 0 | 0 | 111 | F153 L173 D174 H175 F181 G182 Y200 A203 Q204 L207 | F153-I177 HydrophobicContact CE2-CG1 4.22Å; F153-I177 HydrophobicContact CZ-CG1 4.45Å; L173-I177 WeakPolarHBondContact O-CB 3.41Å; L173-I177 WeakPolarHBondContact O-CD1 3.36Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.95Å; D174-I177 PolarHBondContact O-N 3.45Å; H175-I177 VanDerWaalsContact C-N 3.34Å; H175-I177 PolarHBondContact O-N 2.9Å; I177-F181 CarbonylContact O-C 3.55Å; I177-F181 VanDerWaalsContact O-CA 3.3Å; I177-F181 WeakPolarHBondContact O-CA 3.37Å; I177-F181 WeakPolarHBondContact O-CB 3.45Å; I177-F181 PolarHBondContact O-N 3.04Å; I177-G182 PolarHBondContact O-N 3.48Å; I177-Y200 HydrophobicContact CG2-CD2 4.19Å; I177-Y200 HydrophobicContact CG2-CE2 3.71Å; I177-A203 HydrophobicContact CD1-CB 4.1Å; I177-A203 HydrophobicContact CG1-CB 3.94Å; I177-Q204 HydrophobicContact CD1-CB 4.49Å; I177-L207 HydrophobicContact CD1-CB 4.29Å; I177-L207 HydrophobicContact CD1-CD2 3.99Å |
| 178 | R | 83.3 | Confident | 75 | Confident | 190 Ų | 190 | 61.7 Ų | 61.7 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 179.4 | -72.6 | 176 | -175.8 | -175.8 | 3.3 | 112.1 | D174 H175 G182 | D174-R178 WeakPolarHBondContact O-CB 3.3Å; D174-R178 VanDerWaalsContact O-CG 3.28Å; D174-R178 WeakPolarHBondContact O-CG 3.38Å; D174-R178 PolarHBondContact O-N 3.12Å; H175-R178 PolarHBondContact O-N 3.22Å; R178-G182 WeakPolarHBondContact O-CA 3.18Å; R178-G182 PolarHBondContact O-N 3.48Å; R178-G182 VanDerWaalsContact O-N 3.12Å |
| 179 | S | 80.8 | Confident | 72.9 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.9 | -49 | -178.5 | 174.3 | 0 | 0 | 0 | 0 | 112 | H175 | H175-S179 WeakPolarHBondContact O-CB 3.29Å; H175-S179 PolarHBondContact O-N 3.32Å |
| 180 | K | 71.7 | Confident | 71 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 34% | 0.335 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -93.9 | -23.1 | -171 | -62.6 | -120.3 | 178.3 | -177.6 | 0 | 114 | R148 H150 G176 | R148-K180 PolarHBondContact O-NZ 3.23Å; H150-K180 HydrophobicContact CB-CD 4.45Å; H150-K180 WeakPolarHBondContact ND1-CD 3.35Å; G176-K180 WeakPolarHBondContact O-CB 3.37Å; G176-K180 PolarHBondContact O-N 3.41Å; G176-K180 VanDerWaalsContact O-N 3.09Å |
| 181 | F | 72.7 | Confident | 69 | Low | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.018 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -131.7 | 17.3 | -172.7 | -54.7 | -67 | 0 | 0 | 0 | 113.5 | H150 F153 I177 L183 I184 S185 D196 L199 Y200 | H150-F181 HydrophobicContact CB-CZ 4.27Å; F153-F181 AromaticContact CE1-CE2 3.93Å; F153-F181 HydrophobicContact CE1-CE2 3.93Å; F153-F181 HydrophobicContact CZ-CD2 4.44Å; F153-F181 AromaticContact CZ-CE2 3.87Å; F153-F181 HydrophobicContact CZ-CE2 3.87Å; I177-F181 CarbonylContact O-C 3.55Å; I177-F181 VanDerWaalsContact O-CA 3.3Å; I177-F181 WeakPolarHBondContact O-CA 3.37Å; I177-F181 WeakPolarHBondContact O-CB 3.45Å; I177-F181 PolarHBondContact O-N 3.04Å; F181-L183 PolarHBondContact O-N 3.28Å; F181-L183 VanDerWaalsContact O-N 3.12Å; F181-I184 HydrophobicContact CB-CB 4.44Å; F181-I184 HydrophobicContact CB-CD1 4.09Å; F181-I184 HydrophobicContact CB-CG1 4.37Å; F181-I184 HydrophobicContact CD1-CD1 3.57Å; F181-I184 HydrophobicContact CE1-CD1 4.44Å; F181-I184 HydrophobicContact CG-CD1 4.21Å; F181-I184 WeakPolarHBondContact O-CB 3.48Å; F181-I184 PolarHBondContact O-N 3.47Å; F181-S185 PolarHBondContact O-N 3.38Å; F181-D196 HydrophobicContact CE1-CB 4.12Å; F181-L199 HydrophobicContact CZ-CB 4Å; F181-Y200 HydrophobicContact CB-CD2 3.51Å; F181-Y200 HydrophobicContact CB-CE2 4.08Å; F181-Y200 HydrophobicContact CB-CG 4.42Å; F181-Y200 HydrophobicContact CD2-CD2 4.01Å; F181-Y200 AromaticContact CG-CD2 3.79Å; F181-Y200 HydrophobicContact CG-CD2 3.79Å; F181-Y200 HydrophobicContact CG-CG 4.41Å |
| 182 | G | 63.4 | Low | 67.2 | Low | 28 Ų | 28 | 79.5 Ų | 79.5 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -51.3 | -37.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I177 R178 I184 S185 | I177-G182 PolarHBondContact O-N 3.48Å; R178-G182 WeakPolarHBondContact O-CA 3.18Å; R178-G182 PolarHBondContact O-N 3.48Å; R178-G182 VanDerWaalsContact O-N 3.12Å; G182-I184 PolarHBondContact O-N 3.18Å; G182-S185 PolarHBondContact O-N 3.08Å; G182-S185 PolarHBondContact O-OG 2.88Å |
| 183 | L | 57.7 | Low | 65.8 | Low | 125 Ų | 125 | 81.2 Ų | 81.2 | 65% | 0.654 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.5 | -34.3 | 176.4 | -73.8 | 160.5 | 0 | 0 | 0 | 113.6 | F181 S185 V186 S187 | F181-L183 PolarHBondContact O-N 3.28Å; F181-L183 VanDerWaalsContact O-N 3.12Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.46Å; L183-V186 PolarHBondContact O-N 3.46Å; L183-S187 PolarHBondContact O-N 3.03Å |
| 184 | I | 57.4 | Low | 64.8 | Low | 14 Ų | 14 | 86.8 Ų | 86.8 | 7% | 0.072 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.3 | -31.8 | 179.6 | -57.2 | -177.6 | 0 | 0 | 0 | 111 | F181 G182 V186 M192 Y200 V232 | F181-I184 HydrophobicContact CB-CB 4.44Å; F181-I184 HydrophobicContact CB-CD1 4.09Å; F181-I184 HydrophobicContact CB-CG1 4.37Å; F181-I184 HydrophobicContact CD1-CD1 3.57Å; F181-I184 HydrophobicContact CE1-CD1 4.44Å; F181-I184 HydrophobicContact CG-CD1 4.21Å; F181-I184 WeakPolarHBondContact O-CB 3.48Å; F181-I184 PolarHBondContact O-N 3.47Å; G182-I184 PolarHBondContact O-N 3.18Å; I184-V186 VanDerWaalsContact C-N 3.25Å; I184-V186 PolarHBondContact O-N 3.49Å; I184-M192 HydrophobicContact CD1-CE 4.29Å; I184-M192 HydrophobicContact CD1-SD 3.76Å; I184-M192 HydrophobicContact CG1-SD 3.55Å; I184-M192 VanDerWaalsContact CG1-SD 3.55Å; I184-Y200 HydrophobicContact CD1-CG 4.36Å; I184-Y200 HydrophobicContact CG2-CD1 3.93Å; I184-Y200 HydrophobicContact CG2-CD2 4.49Å; I184-Y200 HydrophobicContact CG2-CE1 3.97Å; I184-Y200 HydrophobicContact CG2-CE2 4.49Å; I184-Y200 HydrophobicContact CG2-CG 4.2Å; I184-V232 HydrophobicContact CG2-CG1 4.31Å |
| 185 | S | 53.7 | Low | 63.9 | Low | 81 Ų | 81 | 91.5 Ų | 91.5 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.9 | -22.7 | -179.3 | 74.2 | 0 | 0 | 0 | 0 | 113.7 | F181 G182 L183 | F181-S185 PolarHBondContact O-N 3.38Å; G182-S185 PolarHBondContact O-N 3.08Å; G182-S185 PolarHBondContact O-OG 2.88Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.46Å |
| 186 | V | 51.3 | Low | 63.1 | Low | 115 Ų | 115 | 86.7 Ų | 86.7 | 70% | 0.697 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -98.9 | -32.4 | -172.7 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | L183 I184 | L183-V186 PolarHBondContact O-N 3.46Å; I184-V186 VanDerWaalsContact C-N 3.25Å; I184-V186 PolarHBondContact O-N 3.49Å |
| 187 | S | 50.1 | Low | 62.6 | Low | 59 Ų | 59 | 87.8 Ų | 87.8 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | trans | -147.1 | 102.4 | -174.4 | -63.8 | 0 | 0 | 0 | 0 | 113.1 | L183 N189 | L183-S187 PolarHBondContact O-N 3.03Å; S187-N189 PolarHBondContact O-N 3.39Å; S187-N189 VanDerWaalsContact O-N 3.08Å | ||
| 188 | P | 52.3 | Low | 62.3 | Low | 93 Ų | 93 | 92.8 Ų | 92.8 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -3.7 | -179 | 25.3 | -32.7 | 0 | 0 | 0 | 115.4 | ||
| 189 | N | 47 | Very low | 62 | Low | 160 Ų | 160 | 85.3 Ų | 85.3 | 86% | 0.856 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 2.1 | -171.4 | -79.6 | -10.2 | 0 | 0 | 0 | 115.7 | S187 | S187-N189 PolarHBondContact O-N 3.39Å; S187-N189 VanDerWaalsContact O-N 3.08Å |
| 190 | Q | 49.6 | Very low | 62.1 | Low | 127 Ų | 127 | 81.6 Ų | 81.6 | 59% | 0.593 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -81.6 | 130.1 | 174.2 | -84.6 | 179.4 | -14.9 | 0 | 0 | 111 | M192 | Q190-M192 VanDerWaalsContact C-N 3.26Å; Q190-M192 PolarHBondContact O-N 2.92Å |
| 191 | K | 48.1 | Very low | 62.4 | Low | 221 Ų | 221 | 80.6 Ų | 80.6 | 96% | 0.961 | 43% | 0.432 | S | S | * | . | trans | -65.5 | 81.1 | 174.8 | -72.4 | -177.4 | 177.1 | 178.7 | 0 | 110.3 | ||||
| 192 | M | 52.6 | Low | 62.9 | Low | 74 Ų | 74 | 87.2 Ų | 87.2 | 37% | 0.365 | 46% | 0.461 | S | S | . | . | trans | -87.4 | 159.9 | 164.8 | -76.5 | -167.7 | 72 | 0 | 0 | 110.7 | I184 Q190 D194 D196 V197 | I184-M192 HydrophobicContact CD1-CE 4.29Å; I184-M192 HydrophobicContact CD1-SD 3.76Å; I184-M192 HydrophobicContact CG1-SD 3.55Å; I184-M192 VanDerWaalsContact CG1-SD 3.55Å; Q190-M192 VanDerWaalsContact C-N 3.26Å; Q190-M192 PolarHBondContact O-N 2.92Å; M192-D194 PolarHBondContact O-N 3.44Å; M192-D196 HydrophobicContact CE-CB 3.86Å; M192-D196 WeakPolarHBondContact CE-OD2 3.38Å; M192-V197 HydrophobicContact CB-CG2 4.48Å | ||
| 193 | A | 60.1 | Low | 64 | Low | 61 Ų | 61 | 85.9 Ų | 85.9 | 50% | 0.504 | 45% | 0.447 | S | S | . | . | trans | -58.8 | 136.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E195 D196 V197 | A193-E195 PolarHBondContact O-N 3.11Å; A193-D196 PolarHBondContact O-N 3.46Å; A193-V197 PolarHBondContact O-N 2.81Å | ||
| 194 | D | 66.6 | Low | 65.3 | Low | 117 Ų | 117 | 80.5 Ų | 80.5 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -54.6 | -22.2 | -179 | -113.3 | -3.5 | 0 | 0 | 0 | 113.4 | M192 R198 | M192-D194 PolarHBondContact O-N 3.44Å; D194-R198 WeakPolarHBondContact O-CB 3.45Å; D194-R198 VanDerWaalsContact O-CG 3.24Å; D194-R198 WeakPolarHBondContact O-CG 3.24Å; D194-R198 PolarHBondContact O-N 3.32Å; D194-R198 PolarHBondContact O-NE 2.96Å; D194-R198 VanDerWaalsContact O-NE 3.1Å |
| 195 | E | 68.8 | Low | 66.8 | Low | 129 Ų | 129 | 80.8 Ų | 80.8 | 60% | 0.603 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -72.6 | -43.7 | 176.3 | -68.1 | -162.3 | 156.6 | 0 | 0 | 113.6 | A193 V197 R198 L199 | A193-E195 PolarHBondContact O-N 3.11Å; E195-V197 VanDerWaalsContact C-N 3.32Å; E195-V197 PolarHBondContact O-N 2.91Å; E195-R198 WeakPolarHBondContact O-CB 3.45Å; E195-R198 PolarHBondContact O-N 2.87Å; E195-R198 VanDerWaalsContact O-N 3.12Å; E195-R198 IonicContact OE1-NH2 3.9Å; E195-L199 WeakPolarHBondContact O-CG 3.13Å; E195-L199 PolarHBondContact O-N 3.23Å |
| 196 | D | 70.2 | Confident | 68.5 | Low | 35 Ų | 35 | 78.2 Ų | 78.2 | 19% | 0.187 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 179.9 | -70 | -30.9 | 0 | 0 | 0 | 110.9 | F181 M192 A193 R198 L199 Y200 | F181-D196 HydrophobicContact CE1-CB 4.12Å; M192-D196 HydrophobicContact CE-CB 3.86Å; M192-D196 WeakPolarHBondContact CE-OD2 3.38Å; A193-D196 PolarHBondContact O-N 3.46Å; D196-R198 VanDerWaalsContact C-N 3.32Å; D196-R198 PolarHBondContact O-N 3Å; D196-L199 PolarHBondContact O-N 2.95Å; D196-Y200 WeakPolarHBondContact O-CB 3.35Å; D196-Y200 PolarHBondContact O-N 2.85Å |
| 197 | V | 73.5 | Confident | 70.3 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | M192 A193 E195 L199 R201 | M192-V197 HydrophobicContact CB-CG2 4.48Å; A193-V197 PolarHBondContact O-N 2.81Å; E195-V197 VanDerWaalsContact C-N 3.32Å; E195-V197 PolarHBondContact O-N 2.91Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.13Å; V197-R201 WeakPolarHBondContact O-CG 3.39Å; V197-R201 PolarHBondContact O-N 3.13Å |
| 198 | R | 77.3 | Confident | 72.1 | Confident | 123 Ų | 123 | 70.3 Ų | 70.3 | 46% | 0.464 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.8 | -33 | 175.6 | -78.2 | -178 | -70.5 | -161.6 | 5.6 | 113 | D194 E195 D196 K202 | D194-R198 WeakPolarHBondContact O-CB 3.45Å; D194-R198 VanDerWaalsContact O-CG 3.24Å; D194-R198 WeakPolarHBondContact O-CG 3.24Å; D194-R198 PolarHBondContact O-N 3.32Å; D194-R198 PolarHBondContact O-NE 2.96Å; D194-R198 VanDerWaalsContact O-NE 3.1Å; E195-R198 WeakPolarHBondContact O-CB 3.45Å; E195-R198 PolarHBondContact O-N 2.87Å; E195-R198 VanDerWaalsContact O-N 3.12Å; E195-R198 IonicContact OE1-NH2 3.9Å; D196-R198 VanDerWaalsContact C-N 3.32Å; D196-R198 PolarHBondContact O-N 3Å; R198-K202 WeakPolarHBondContact O-CG 3.36Å; R198-K202 PolarHBondContact O-N 3.08Å |
| 199 | L | 77.4 | Confident | 73.8 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.3 | -47.1 | 178.7 | -76.1 | 163.4 | 0 | 0 | 0 | 111.7 | H150 T151 F181 E195 D196 V197 R201 K202 A203 | H150-L199 HydrophobicContact CB-CD1 4.26Å; T151-L199 HydrophobicContact CG2-CD1 4.44Å; T151-L199 HydrophobicContact CG2-CD2 3.12Å; T151-L199 HydrophobicContact CG2-CG 4.4Å; F181-L199 HydrophobicContact CZ-CB 4Å; E195-L199 WeakPolarHBondContact O-CG 3.13Å; E195-L199 PolarHBondContact O-N 3.23Å; D196-L199 PolarHBondContact O-N 2.95Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.13Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.87Å; L199-K202 PolarHBondContact O-N 3.35Å; L199-K202 VanDerWaalsContact O-N 3.09Å; L199-A203 PolarHBondContact O-N 3.21Å |
| 200 | Y | 82.2 | Confident | 75.9 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.6 | -48.8 | 172.1 | 175.3 | -101 | 0 | 0 | 0 | 111.4 | I177 F181 I184 D196 K202 A203 Q204 V232 | I177-Y200 HydrophobicContact CG2-CD2 4.19Å; I177-Y200 HydrophobicContact CG2-CE2 3.71Å; F181-Y200 HydrophobicContact CB-CD2 3.51Å; F181-Y200 HydrophobicContact CB-CE2 4.08Å; F181-Y200 HydrophobicContact CB-CG 4.42Å; F181-Y200 HydrophobicContact CD2-CD2 4.01Å; F181-Y200 AromaticContact CG-CD2 3.79Å; F181-Y200 HydrophobicContact CG-CD2 3.79Å; F181-Y200 HydrophobicContact CG-CG 4.41Å; I184-Y200 HydrophobicContact CD1-CG 4.36Å; I184-Y200 HydrophobicContact CG2-CD1 3.93Å; I184-Y200 HydrophobicContact CG2-CD2 4.49Å; I184-Y200 HydrophobicContact CG2-CE1 3.97Å; I184-Y200 HydrophobicContact CG2-CE2 4.49Å; I184-Y200 HydrophobicContact CG2-CG 4.2Å; D196-Y200 WeakPolarHBondContact O-CB 3.35Å; D196-Y200 PolarHBondContact O-N 2.85Å; Y200-K202 VanDerWaalsContact C-N 3.29Å; Y200-K202 PolarHBondContact O-N 3.48Å; Y200-A203 PolarHBondContact O-N 3.48Å; Y200-A203 VanDerWaalsContact O-N 3.15Å; Y200-Q204 WeakPolarHBondContact O-CB 3.25Å; Y200-Q204 PolarHBondContact O-N 2.94Å; Y200-Q204 PolarHBondContact OH-NE2 3.45Å; Y200-Q204 PolarHBondContact OH-OE1 3.18Å; Y200-V232 HydrophobicContact CD1-CG1 4.27Å; Y200-V232 HydrophobicContact CE1-CB 4.41Å; Y200-V232 HydrophobicContact CE1-CG1 4.06Å; Y200-V232 HydrophobicContact CE1-CG2 4.16Å |
| 201 | R | 77.9 | Confident | 77.7 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 21% | 0.208 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.1 | -46.5 | 174.8 | -73.7 | 170.5 | -148.6 | -148.4 | -11.7 | 112.4 | V197 L199 L205 L229 C233 N235 | V197-R201 WeakPolarHBondContact O-CG 3.39Å; V197-R201 PolarHBondContact O-N 3.13Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.87Å; R201-L205 WeakPolarHBondContact O-CB 3.34Å; R201-L205 PolarHBondContact O-N 3.01Å; R201-L229 HydrophobicContact CB-CD1 4.43Å; R201-C233 VanDerWaalsContact CD-SG 3.57Å; R201-C233 HydrophobicContact CG-CB 4.05Å; R201-C233 VanDerWaalsContact CG-SG 3.51Å; R201-C233 PolarHBondContact NE-SG 3.23Å; R201-C233 PolarHBondContact NH2-SG 3.34Å; R201-N235 PolarHBondContact NH1-OD1 2.97Å |
| 202 | K | 84 | Confident | 79.5 | Confident | 144 Ų | 144 | 45.7 Ų | 45.7 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -68 | -41.3 | -178.1 | -74.6 | 171.6 | -175.9 | 168.7 | 0 | 111.2 | R198 L199 Y200 L206 | R198-K202 WeakPolarHBondContact O-CG 3.36Å; R198-K202 PolarHBondContact O-N 3.08Å; L199-K202 PolarHBondContact O-N 3.35Å; L199-K202 VanDerWaalsContact O-N 3.09Å; Y200-K202 VanDerWaalsContact C-N 3.29Å; Y200-K202 PolarHBondContact O-N 3.48Å; K202-L206 WeakPolarHBondContact O-CB 3.31Å; K202-L206 PolarHBondContact O-N 3.41Å; K202-L206 VanDerWaalsContact O-N 3.08Å |
| 203 | A | 86 | Confident | 81 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -49.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F153 T154 I177 L199 Y200 L205 L206 L207 | F153-A203 HydrophobicContact CE2-CB 3.84Å; F153-A203 HydrophobicContact CZ-CB 3.77Å; T154-A203 HydrophobicContact CG2-CB 3.84Å; I177-A203 HydrophobicContact CD1-CB 4.1Å; I177-A203 HydrophobicContact CG1-CB 3.94Å; L199-A203 PolarHBondContact O-N 3.21Å; Y200-A203 PolarHBondContact O-N 3.48Å; Y200-A203 VanDerWaalsContact O-N 3.15Å; A203-L205 PolarHBondContact O-N 3.48Å; A203-L206 WeakPolarHBondContact O-CB 3.49Å; A203-L206 PolarHBondContact O-N 3.37Å; A203-L206 VanDerWaalsContact O-N 3.11Å; A203-L207 PolarHBondContact O-N 3.02Å |
| 204 | Q | 86.2 | Confident | 82.2 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | -179.7 | -170.1 | 175.1 | 25.1 | 0 | 0 | 112.1 | I177 Y200 L206 L207 A208 L229 | I177-Q204 HydrophobicContact CD1-CB 4.49Å; Y200-Q204 WeakPolarHBondContact O-CB 3.25Å; Y200-Q204 PolarHBondContact O-N 2.94Å; Y200-Q204 PolarHBondContact OH-NE2 3.45Å; Y200-Q204 PolarHBondContact OH-OE1 3.18Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.45Å; Q204-L207 PolarHBondContact O-N 3.49Å; Q204-A208 WeakPolarHBondContact O-CB 3.48Å; Q204-A208 PolarHBondContact O-N 3.25Å; Q204-L229 HydrophobicContact CB-CD1 4.16Å; Q204-L229 HydrophobicContact CG-CB 4.49Å; Q204-L229 HydrophobicContact CG-CD1 4.4Å |
| 205 | L | 88.3 | Confident | 82.9 | Confident | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 171.7 | 179.5 | 65.7 | 0 | 0 | 0 | 112.1 | R201 A203 N209 Y226 L229 K238 H242 | R201-L205 WeakPolarHBondContact O-CB 3.34Å; R201-L205 PolarHBondContact O-N 3.01Å; A203-L205 PolarHBondContact O-N 3.48Å; L205-N209 WeakPolarHBondContact O-CB 3.31Å; L205-N209 PolarHBondContact O-N 3.13Å; L205-N209 VanDerWaalsContact O-N 3.08Å; L205-N209 PolarHBondContact O-ND2 2.87Å; L205-Y226 HydrophobicContact CD1-CE1 4.15Å; L205-L229 HydrophobicContact CB-CD2 3.84Å; L205-L229 HydrophobicContact CD1-CD2 3.75Å; L205-L229 HydrophobicContact CG-CD2 4.39Å; L205-K238 HydrophobicContact CD2-CB 3.64Å; L205-K238 HydrophobicContact CD2-CD 4.04Å; L205-K238 HydrophobicContact CD2-CG 4.49Å; L205-H242 HydrophobicContact CD1-CB 4.38Å |
| 206 | L | 88.5 | Confident | 83.2 | Confident | 27 Ų | 27 | 41 Ų | 41 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.2 | -46.5 | 177.8 | -173.8 | 66.4 | 0 | 0 | 0 | 110.6 | K158 L173 K202 A203 Q204 A208 N209 Y210 | K158-L206 HydrophobicContact CD-CD2 4.39Å; K158-L206 HydrophobicContact CG-CD1 4.49Å; K158-L206 HydrophobicContact CG-CD2 3.84Å; L173-L206 HydrophobicContact CD1-CD2 4.15Å; L173-L206 HydrophobicContact CD1-CG 4.07Å; L173-L206 HydrophobicContact CD2-CD2 4.04Å; K202-L206 WeakPolarHBondContact O-CB 3.31Å; K202-L206 PolarHBondContact O-N 3.41Å; K202-L206 VanDerWaalsContact O-N 3.08Å; A203-L206 WeakPolarHBondContact O-CB 3.49Å; A203-L206 PolarHBondContact O-N 3.37Å; A203-L206 VanDerWaalsContact O-N 3.11Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.45Å; L206-A208 PolarHBondContact O-N 3.42Å; L206-N209 PolarHBondContact O-N 3Å; L206-Y210 HydrophobicContact CD1-CD1 4.24Å; L206-Y210 HydrophobicContact CD1-CD2 4.47Å; L206-Y210 HydrophobicContact CD1-CE1 3.7Å; L206-Y210 HydrophobicContact CD1-CE2 3.94Å; L206-Y210 HydrophobicContact CD2-CE2 4.17Å; L206-Y210 HydrophobicContact CG-CD2 4.17Å; L206-Y210 HydrophobicContact CG-CE1 4.42Å; L206-Y210 HydrophobicContact CG-CE2 3.85Å; L206-Y210 PolarHBondContact O-N 2.94Å |
| 207 | L | 89.4 | Confident | 83.6 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 176.3 | -178.8 | 73.5 | 0 | 0 | 0 | 111.3 | L170 L173 D174 I177 A203 Q204 N209 Y210 A211 M225 | L170-L207 HydrophobicContact CD2-CD1 3.87Å; L173-L207 HydrophobicContact CB-CB 4.3Å; L173-L207 HydrophobicContact CB-CD1 3.64Å; L173-L207 HydrophobicContact CB-CG 4.48Å; L173-L207 HydrophobicContact CD1-CB 4.18Å; L173-L207 HydrophobicContact CD1-CD1 4.24Å; D174-L207 VanDerWaalsContact OD1-CD2 3.3Å; D174-L207 WeakPolarHBondContact OD1-CD2 3.44Å; I177-L207 HydrophobicContact CD1-CB 4.29Å; I177-L207 HydrophobicContact CD1-CD2 3.99Å; A203-L207 PolarHBondContact O-N 3.02Å; Q204-L207 PolarHBondContact O-N 3.49Å; L207-N209 VanDerWaalsContact C-N 3.3Å; L207-N209 PolarHBondContact O-N 3.29Å; L207-Y210 PolarHBondContact O-N 3.16Å; L207-A211 WeakPolarHBondContact O-CB 2.92Å; L207-A211 PolarHBondContact O-N 3.39Å; L207-M225 HydrophobicContact CB-CE 4.26Å; L207-M225 HydrophobicContact CD2-CE 3.53Å; L207-M225 HydrophobicContact CG-CE 3.51Å |
| 208 | A | 88 | Confident | 83.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -35.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q204 L206 R212 M225 Y226 | Q204-A208 WeakPolarHBondContact O-CB 3.48Å; Q204-A208 PolarHBondContact O-N 3.25Å; L206-A208 PolarHBondContact O-N 3.42Å; A208-R212 VanDerWaalsContact O-CB 3.31Å; A208-R212 WeakPolarHBondContact O-CB 3.22Å; A208-R212 PolarHBondContact O-N 3.24Å; A208-R212 VanDerWaalsContact O-N 3.13Å; A208-M225 HydrophobicContact CB-CB 4.21Å; A208-M225 HydrophobicContact CB-CE 4.15Å; A208-Y226 HydrophobicContact CB-CD1 4.06Å; A208-Y226 HydrophobicContact CB-CE1 3.64Å; A208-Y226 HydrophobicContact CB-CE2 4.14Å; A208-Y226 HydrophobicContact CB-CG 4.47Å; A208-Y226 PolarHBondContact O-OH 3.32Å |
| 209 | N | 89 | Confident | 83.9 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.8 | -40 | 175.6 | -85 | -53.3 | 0 | 0 | 0 | 112.7 | L205 L206 L207 R212 Q213 Y226 H242 | L205-N209 WeakPolarHBondContact O-CB 3.31Å; L205-N209 PolarHBondContact O-N 3.13Å; L205-N209 VanDerWaalsContact O-N 3.08Å; L205-N209 PolarHBondContact O-ND2 2.87Å; L206-N209 PolarHBondContact O-N 3Å; L207-N209 VanDerWaalsContact C-N 3.3Å; L207-N209 PolarHBondContact O-N 3.29Å; N209-R212 PolarHBondContact O-N 3.36Å; N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.36Å; N209-Y226 PolarHBondContact N-OH 2.86Å; N209-Y226 PolarHBondContact OD1-OH 2.86Å; N209-H242 PolarHBondContact OD1-ND1 2.94Å |
| 210 | Y | 89.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 9% | 0.09 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.8 | -46.5 | 177.6 | -74.9 | -3.5 | 0 | 0 | 0 | 111.2 | W161 L173 L206 L207 R212 Q213 S214 | W161-Y210 HydrophobicContact CB-CE1 4.45Å; W161-Y210 HydrophobicContact CB-CE2 3.74Å; W161-Y210 AromaticContact CD1-CE1 3.85Å; W161-Y210 AromaticContact CD1-CZ 3.88Å; W161-Y210 AromaticContact CD2-CD1 3.74Å; W161-Y210 HydrophobicContact CD2-CD1 3.74Å; W161-Y210 AromaticContact CD2-CD2 3.88Å; W161-Y210 HydrophobicContact CD2-CD2 3.88Å; W161-Y210 AromaticContact CD2-CE1 3.69Å; W161-Y210 HydrophobicContact CD2-CE1 3.69Å; W161-Y210 AromaticContact CD2-CE2 3.86Å; W161-Y210 HydrophobicContact CD2-CE2 3.86Å; W161-Y210 AromaticContact CD2-CG 3.83Å; W161-Y210 HydrophobicContact CD2-CG 3.83Å; W161-Y210 AromaticContact CD2-CZ 3.74Å; W161-Y210 AromaticContact CE2-CD1 3.73Å; W161-Y210 AromaticContact CE2-CE1 3.79Å; W161-Y210 AromaticContact CE3-CD1 3.98Å; W161-Y210 HydrophobicContact CE3-CD1 3.98Å; W161-Y210 AromaticContact CE3-CD2 3.54Å; W161-Y210 HydrophobicContact CE3-CD2 3.54Å; W161-Y210 HydrophobicContact CE3-CE1 4.3Å; W161-Y210 AromaticContact CE3-CE2 3.92Å; W161-Y210 HydrophobicContact CE3-CE2 3.92Å; W161-Y210 AromaticContact CE3-CG 3.57Å; W161-Y210 HydrophobicContact CE3-CG 3.57Å; W161-Y210 HydrophobicContact CG-CD1 4.28Å; W161-Y210 HydrophobicContact CG-CD2 4.32Å; W161-Y210 AromaticContact CG-CE1 3.73Å; W161-Y210 HydrophobicContact CG-CE1 3.73Å; W161-Y210 AromaticContact CG-CE2 3.8Å; W161-Y210 HydrophobicContact CG-CE2 3.8Å; W161-Y210 AromaticContact CG-CZ 3.45Å; W161-Y210 VanDerWaalsContact CG-CZ 3.45Å; W161-Y210 HydrophobicContact CH2-CD1 4.19Å; W161-Y210 HydrophobicContact CH2-CG 4.09Å; W161-Y210 WeakPolarHBondContact CH2-O 3.46Å; W161-Y210 AromaticContact CZ2-CD1 3.97Å; W161-Y210 HydrophobicContact CZ2-CD1 3.97Å; W161-Y210 HydrophobicContact CZ2-CE1 4.46Å; W161-Y210 HydrophobicContact CZ2-CG 4.32Å; W161-Y210 HydrophobicContact CZ3-CD1 4.2Å; W161-Y210 HydrophobicContact CZ3-CD2 4.07Å; W161-Y210 AromaticContact CZ3-CG 3.72Å; W161-Y210 HydrophobicContact CZ3-CG 3.72Å; W161-Y210 AromaticContact NE1-CE1 3.85Å; L173-Y210 HydrophobicContact CD1-CD2 3.72Å; L173-Y210 HydrophobicContact CD1-CE2 4.2Å; L206-Y210 HydrophobicContact CD1-CD1 4.24Å; L206-Y210 HydrophobicContact CD1-CD2 4.47Å; L206-Y210 HydrophobicContact CD1-CE1 3.7Å; L206-Y210 HydrophobicContact CD1-CE2 3.94Å; L206-Y210 HydrophobicContact CD2-CE2 4.17Å; L206-Y210 HydrophobicContact CG-CD2 4.17Å; L206-Y210 HydrophobicContact CG-CE1 4.42Å; L206-Y210 HydrophobicContact CG-CE2 3.85Å; L206-Y210 PolarHBondContact O-N 2.94Å; L207-Y210 PolarHBondContact O-N 3.16Å; Y210-R212 PolarHBondContact O-N 3Å; Y210-Q213 PolarHBondContact O-N 3.28Å; Y210-S214 PolarHBondContact O-N 2.7Å; Y210-S214 PolarHBondContact O-OG 3.23Å |
| 211 | A | 87.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L170 L207 S214 A215 R217 V222 M225 | L170-A211 HydrophobicContact CD2-CB 4.4Å; L207-A211 WeakPolarHBondContact O-CB 2.92Å; L207-A211 PolarHBondContact O-N 3.39Å; A211-S214 PolarHBondContact O-OG 3.19Å; A211-A215 PolarHBondContact O-N 2.77Å; A211-R217 HydrophobicContact CB-CG 4.34Å; A211-V222 HydrophobicContact CB-CG2 4.23Å; A211-M225 HydrophobicContact CB-CE 4.39Å; A211-M225 HydrophobicContact CB-SD 4.46Å |
| 212 | R | 86 | Confident | 84.4 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 173 | -179.7 | -179.2 | 68.2 | 69.3 | 9.4 | 112.8 | A208 N209 Y210 V222 H246 | A208-R212 VanDerWaalsContact O-CB 3.31Å; A208-R212 WeakPolarHBondContact O-CB 3.22Å; A208-R212 PolarHBondContact O-N 3.24Å; A208-R212 VanDerWaalsContact O-N 3.13Å; N209-R212 PolarHBondContact O-N 3.36Å; Y210-R212 PolarHBondContact O-N 3Å; R212-V222 HydrophobicContact CB-CG1 4.08Å; R212-H246 WeakPolarHBondContact CD-ND1 2.95Å; R212-H246 WeakPolarHBondContact CG-ND1 3.49Å |
| 213 | Q | 85 | Confident | 84.3 | Confident | 106 Ų | 106 | 43.2 Ų | 43.2 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -78.7 | -36.9 | -175.4 | -77.4 | 179.2 | -7.8 | 0 | 0 | 113.1 | W161 N209 Y210 A215 | W161-Q213 HydrophobicContact CH2-CB 4.07Å; W161-Q213 HydrophobicContact CZ2-CB 3.75Å; N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.36Å; Y210-Q213 PolarHBondContact O-N 3.28Å; Q213-A215 VanDerWaalsContact C-N 3.28Å |
| 214 | S | 85.3 | Confident | 84.3 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.4 | -17.5 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 113 | Y210 A211 S216 | Y210-S214 PolarHBondContact O-N 2.7Å; Y210-S214 PolarHBondContact O-OG 3.23Å; A211-S214 PolarHBondContact O-OG 3.19Å; S214-S216 PolarHBondContact O-N 2.7Å; S214-S216 VanDerWaalsContact O-N 3.13Å; S214-S216 WeakPolarHBondContact OG-CB 3.29Å; S214-S216 PolarHBondContact OG-N 3.42Å; S214-S216 PolarHBondContact OG-OG 3.12Å |
| 215 | A | 80.3 | Confident | 84.3 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 69% | 0.694 | 24% | 0.242 | S | C | * | . | trans | 53.5 | 25 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A211 Q213 R217 | A211-A215 PolarHBondContact O-N 2.77Å; Q213-A215 VanDerWaalsContact C-N 3.28Å; A215-R217 VanDerWaalsContact C-N 3.31Å; A215-R217 PolarHBondContact O-N 2.9Å | ||
| 216 | S | 75 | Confident | 84.1 | Confident | 65 Ų | 65 | 45.4 Ų | 45.4 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | trans | -76.4 | -18 | -177.7 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | L170 S214 | L170-S216 WeakPolarHBondContact CD1-OG 3.36Å; S214-S216 PolarHBondContact O-N 2.7Å; S214-S216 VanDerWaalsContact O-N 3.13Å; S214-S216 WeakPolarHBondContact OG-CB 3.29Å; S214-S216 PolarHBondContact OG-N 3.42Å; S214-S216 PolarHBondContact OG-OG 3.12Å | ||
| 217 | R | 79.6 | Confident | 84 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -116.9 | 151.3 | 177.6 | -64.1 | -170.4 | -175.9 | -178.3 | 0.3 | 110.8 | D174 A211 A215 Q221 V222 M225 | D174-R217 IonicContact OD1-NH2 3.87Å; D174-R217 PolarHBondContact OD1-NH2 3.15Å; D174-R217 IonicContact OD2-CZ 2.78Å; D174-R217 IonicContact OD2-NH2 3.53Å; D174-R217 PolarHBondContact OD2-NH2 3.09Å; A211-R217 HydrophobicContact CB-CG 4.34Å; A215-R217 VanDerWaalsContact C-N 3.31Å; A215-R217 PolarHBondContact O-N 2.9Å; R217-Q221 HydrophobicContact CB-CB 4.43Å; R217-V222 HydrophobicContact CB-CG2 4.05Å; R217-M225 PolarHBondContact NH1-SD 3.31Å |
| 218 | E | 78.9 | Confident | 83.7 | Confident | 140 Ų | 140 | 52.4 Ų | 52.4 | 65% | 0.654 | 27% | 0.268 | S | S | * | . | trans | -61.2 | 147.7 | 173.5 | -64.9 | -176.8 | 170.5 | 0 | 0 | 111.5 | H220 Q221 V222 | E218-H220 PolarHBondContact O-N 3.28Å; E218-Q221 HydrophobicContact CB-CG 4.3Å; E218-Q221 WeakPolarHBondContact O-CB 3.44Å; E218-Q221 PolarHBondContact O-N 3.01Å; E218-V222 PolarHBondContact O-N 3.1Å | ||
| 219 | T | 77.3 | Confident | 83.5 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.6 | -37.9 | -177.5 | 47.5 | 0 | 0 | 0 | 0 | 113 | Q221 V222 V223 V250 | T219-Q221 PolarHBondContact O-N 3.49Å; T219-V222 PolarHBondContact O-N 3.5Å; T219-V223 WeakPolarHBondContact O-CG2 3.41Å; T219-V223 PolarHBondContact O-N 2.82Å; T219-V223 VanDerWaalsContact O-N 3.08Å; T219-V250 HydrophobicContact CG2-CG1 4.11Å; T219-V250 HydrophobicContact CG2-CG2 3.63Å |
| 220 | H | 81.3 | Confident | 83.3 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 177.4 | -177.8 | -89 | 0 | 0 | 0 | 112.1 | E218 V222 V223 E224 | E218-H220 PolarHBondContact O-N 3.28Å; H220-V222 PolarHBondContact O-N 3.03Å; H220-V223 PolarHBondContact O-N 2.9Å; H220-E224 PolarHBondContact O-N 3.41Å |
| 221 | Q | 83.7 | Confident | 83 | Confident | 88 Ų | 88 | 55.6 Ų | 55.6 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 179.7 | -62.3 | 179.4 | 5.9 | 0 | 0 | 111.2 | R217 E218 T219 V223 E224 M225 | R217-Q221 HydrophobicContact CB-CB 4.43Å; E218-Q221 HydrophobicContact CB-CG 4.3Å; E218-Q221 WeakPolarHBondContact O-CB 3.44Å; E218-Q221 PolarHBondContact O-N 3.01Å; T219-Q221 PolarHBondContact O-N 3.49Å; Q221-V223 VanDerWaalsContact C-N 3.33Å; Q221-V223 PolarHBondContact O-N 3.39Å; Q221-E224 PolarHBondContact O-N 2.87Å; Q221-M225 VanDerWaalsContact O-CG 3.25Å; Q221-M225 WeakPolarHBondContact O-CG 3.45Å; Q221-M225 PolarHBondContact O-N 3.47Å |
| 222 | V | 84.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | A211 R212 R217 E218 T219 H220 M225 Y226 H246 | A211-V222 HydrophobicContact CB-CG2 4.23Å; R212-V222 HydrophobicContact CB-CG1 4.08Å; R217-V222 HydrophobicContact CB-CG2 4.05Å; E218-V222 PolarHBondContact O-N 3.1Å; T219-V222 PolarHBondContact O-N 3.5Å; H220-V222 PolarHBondContact O-N 3.03Å; V222-M225 WeakPolarHBondContact O-CB 3.28Å; V222-M225 PolarHBondContact O-N 3.22Å; V222-Y226 HydrophobicContact CG1-CD2 4.05Å; V222-Y226 HydrophobicContact CG1-CE2 3.61Å; V222-Y226 WeakPolarHBondContact O-CD2 3.4Å; V222-Y226 PolarHBondContact O-N 2.71Å; V222-Y226 VanDerWaalsContact O-N 3.16Å; V222-H246 WeakPolarHBondContact CG1-NE2 3.44Å |
| 223 | V | 82.5 | Confident | 81.6 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -44 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | T219 H220 Q221 M225 Y226 K227 L247 | T219-V223 WeakPolarHBondContact O-CG2 3.41Å; T219-V223 PolarHBondContact O-N 2.82Å; T219-V223 VanDerWaalsContact O-N 3.08Å; H220-V223 PolarHBondContact O-N 2.9Å; Q221-V223 VanDerWaalsContact C-N 3.33Å; Q221-V223 PolarHBondContact O-N 3.39Å; V223-M225 VanDerWaalsContact C-N 3.31Å; V223-M225 PolarHBondContact O-N 2.73Å; V223-Y226 PolarHBondContact O-N 2.92Å; V223-K227 HydrophobicContact CG1-CD 4.43Å; V223-K227 HydrophobicContact CG1-CG 4.49Å; V223-K227 WeakPolarHBondContact O-CG 3.5Å; V223-K227 PolarHBondContact O-N 3.18Å; V223-L247 HydrophobicContact CG1-CD2 4.45Å; V223-L247 HydrophobicContact CG2-CD2 3.6Å |
| 224 | E | 85 | Confident | 81.1 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.1 | -75.7 | -55.4 | 134.7 | 0 | 0 | 112.2 | H220 Q221 Y226 K227 Q228 | H220-E224 PolarHBondContact O-N 3.41Å; Q221-E224 PolarHBondContact O-N 2.87Å; E224-Y226 VanDerWaalsContact C-N 3.32Å; E224-Y226 PolarHBondContact O-N 3.21Å; E224-K227 PolarHBondContact O-N 3.35Å; E224-K227 VanDerWaalsContact O-N 3.16Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 2.96Å; E224-K227 PolarHBondContact OE1-NZ 3.32Å; E224-Q228 WeakPolarHBondContact O-CB 3.45Å; E224-Q228 VanDerWaalsContact O-CG 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.44Å; E224-Q228 PolarHBondContact O-N 3.3Å |
| 225 | M | 85.2 | Confident | 80.9 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 174.2 | -67.1 | 165.8 | 72.7 | 0 | 0 | 112.2 | L207 A208 A211 R217 Q221 V222 V223 L229 | L207-M225 HydrophobicContact CB-CE 4.26Å; L207-M225 HydrophobicContact CD2-CE 3.53Å; L207-M225 HydrophobicContact CG-CE 3.51Å; A208-M225 HydrophobicContact CB-CB 4.21Å; A208-M225 HydrophobicContact CB-CE 4.15Å; A211-M225 HydrophobicContact CB-CE 4.39Å; A211-M225 HydrophobicContact CB-SD 4.46Å; R217-M225 PolarHBondContact NH1-SD 3.31Å; Q221-M225 VanDerWaalsContact O-CG 3.25Å; Q221-M225 WeakPolarHBondContact O-CG 3.45Å; Q221-M225 PolarHBondContact O-N 3.47Å; V222-M225 WeakPolarHBondContact O-CB 3.28Å; V222-M225 PolarHBondContact O-N 3.22Å; V223-M225 VanDerWaalsContact C-N 3.31Å; V223-M225 PolarHBondContact O-N 2.73Å; M225-L229 WeakPolarHBondContact O-CB 3.46Å; M225-L229 PolarHBondContact O-N 3.03Å |
| 226 | Y | 86.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 174.2 | -74.8 | -63.9 | 0 | 0 | 0 | 112.3 | L205 A208 N209 V222 V223 E224 L229 I230 H242 A243 H246 | L205-Y226 HydrophobicContact CD1-CE1 4.15Å; A208-Y226 HydrophobicContact CB-CD1 4.06Å; A208-Y226 HydrophobicContact CB-CE1 3.64Å; A208-Y226 HydrophobicContact CB-CE2 4.14Å; A208-Y226 HydrophobicContact CB-CG 4.47Å; A208-Y226 PolarHBondContact O-OH 3.32Å; N209-Y226 PolarHBondContact N-OH 2.86Å; N209-Y226 PolarHBondContact OD1-OH 2.86Å; V222-Y226 HydrophobicContact CG1-CD2 4.05Å; V222-Y226 HydrophobicContact CG1-CE2 3.61Å; V222-Y226 WeakPolarHBondContact O-CD2 3.4Å; V222-Y226 PolarHBondContact O-N 2.71Å; V222-Y226 VanDerWaalsContact O-N 3.16Å; V223-Y226 PolarHBondContact O-N 2.92Å; E224-Y226 VanDerWaalsContact C-N 3.32Å; E224-Y226 PolarHBondContact O-N 3.21Å; Y226-L229 WeakPolarHBondContact O-CB 3.24Å; Y226-L229 PolarHBondContact O-N 3.49Å; Y226-I230 WeakPolarHBondContact O-CB 3.49Å; Y226-I230 WeakPolarHBondContact O-CD1 3.38Å; Y226-I230 VanDerWaalsContact O-CG1 3.24Å; Y226-I230 WeakPolarHBondContact O-CG1 3.35Å; Y226-I230 PolarHBondContact O-N 3.27Å; Y226-H242 HydrophobicContact CE1-CB 3.79Å; Y226-A243 HydrophobicContact CD1-CB 4.11Å; Y226-A243 HydrophobicContact CD2-CB 4.35Å; Y226-A243 HydrophobicContact CG-CB 3.84Å; Y226-H246 HydrophobicContact CE2-CB 4.03Å |
| 227 | K | 84.9 | Confident | 81.4 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176 | -72.7 | 179.4 | -172.7 | 166.4 | 0 | 111.8 | V223 E224 L229 I230 A231 | V223-K227 HydrophobicContact CG1-CD 4.43Å; V223-K227 HydrophobicContact CG1-CG 4.49Å; V223-K227 WeakPolarHBondContact O-CG 3.5Å; V223-K227 PolarHBondContact O-N 3.18Å; E224-K227 PolarHBondContact O-N 3.35Å; E224-K227 VanDerWaalsContact O-N 3.16Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 2.96Å; E224-K227 PolarHBondContact OE1-NZ 3.32Å; K227-L229 VanDerWaalsContact C-N 3.34Å; K227-L229 PolarHBondContact O-N 3.18Å; K227-I230 PolarHBondContact O-N 3.02Å; K227-A231 WeakPolarHBondContact O-CB 3.14Å; K227-A231 PolarHBondContact O-N 2.82Å |
| 228 | Q | 83.8 | Confident | 81.8 | Confident | 103 Ų | 103 | 54.1 Ų | 54.1 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 173.7 | -72.4 | 173.8 | 0.4 | 0 | 0 | 110.9 | E224 I230 A231 V232 | E224-Q228 WeakPolarHBondContact O-CB 3.45Å; E224-Q228 VanDerWaalsContact O-CG 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.44Å; E224-Q228 PolarHBondContact O-N 3.3Å; Q228-I230 VanDerWaalsContact C-N 3.29Å; Q228-I230 PolarHBondContact O-N 3.18Å; Q228-A231 PolarHBondContact O-N 3.19Å; Q228-V232 WeakPolarHBondContact O-CG2 3.39Å; Q228-V232 PolarHBondContact O-N 3.16Å |
| 229 | L | 84.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 176 | 178.1 | 66.6 | 0 | 0 | 0 | 112.2 | R201 Q204 L205 M225 Y226 K227 C233 A239 | R201-L229 HydrophobicContact CB-CD1 4.43Å; Q204-L229 HydrophobicContact CB-CD1 4.16Å; Q204-L229 HydrophobicContact CG-CB 4.49Å; Q204-L229 HydrophobicContact CG-CD1 4.4Å; L205-L229 HydrophobicContact CB-CD2 3.84Å; L205-L229 HydrophobicContact CD1-CD2 3.75Å; L205-L229 HydrophobicContact CG-CD2 4.39Å; M225-L229 WeakPolarHBondContact O-CB 3.46Å; M225-L229 PolarHBondContact O-N 3.03Å; Y226-L229 WeakPolarHBondContact O-CB 3.24Å; Y226-L229 PolarHBondContact O-N 3.49Å; K227-L229 VanDerWaalsContact C-N 3.34Å; K227-L229 PolarHBondContact O-N 3.18Å; L229-C233 PolarHBondContact O-N 3.39Å; L229-A239 HydrophobicContact CD2-CB 3.52Å; L229-A239 HydrophobicContact CG-CB 3.92Å |
| 230 | I | 84.3 | Confident | 82.8 | Confident | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.4 | -38.4 | 177.8 | -70.2 | 163.5 | 0 | 0 | 0 | 111.3 | Y226 K227 Q228 C233 S234 A239 Y240 A243 F270 | Y226-I230 WeakPolarHBondContact O-CB 3.49Å; Y226-I230 WeakPolarHBondContact O-CD1 3.38Å; Y226-I230 VanDerWaalsContact O-CG1 3.24Å; Y226-I230 WeakPolarHBondContact O-CG1 3.35Å; Y226-I230 PolarHBondContact O-N 3.27Å; K227-I230 PolarHBondContact O-N 3.02Å; Q228-I230 VanDerWaalsContact C-N 3.29Å; Q228-I230 PolarHBondContact O-N 3.18Å; I230-C233 CarbonylContact O-C 3.36Å; I230-C233 PolarHBondContact O-N 3.44Å; I230-S234 PolarHBondContact O-N 3.34Å; I230-A239 HydrophobicContact CG1-CB 4.27Å; I230-Y240 HydrophobicContact CB-CE1 4.5Å; I230-Y240 HydrophobicContact CD1-CD1 3.8Å; I230-Y240 HydrophobicContact CD1-CE1 3.82Å; I230-Y240 HydrophobicContact CG1-CD1 4.2Å; I230-Y240 HydrophobicContact CG1-CE1 4.01Å; I230-Y240 HydrophobicContact CG2-CE1 3.64Å; I230-Y240 VanDerWaalsContact CG2-OH 3.32Å; I230-Y240 WeakPolarHBondContact CG2-OH 3.49Å; I230-A243 HydrophobicContact CD1-CB 4.33Å; I230-F270 HydrophobicContact CD1-CE1 4.2Å; I230-F270 HydrophobicContact CD1-CZ 4.29Å |
| 231 | A | 82.1 | Confident | 83.2 | Confident | 84 Ų | 84 | 42 Ų | 42 | 69% | 0.694 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.6 | -40.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K227 Q228 C233 | K227-A231 WeakPolarHBondContact O-CB 3.14Å; K227-A231 PolarHBondContact O-N 2.82Å; Q228-A231 PolarHBondContact O-N 3.19Å; A231-C233 VanDerWaalsContact C-N 3.34Å |
| 232 | V | 76.2 | Confident | 83.5 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | I184 Y200 Q228 | I184-V232 HydrophobicContact CG2-CG1 4.31Å; Y200-V232 HydrophobicContact CD1-CG1 4.27Å; Y200-V232 HydrophobicContact CE1-CB 4.41Å; Y200-V232 HydrophobicContact CE1-CG1 4.06Å; Y200-V232 HydrophobicContact CE1-CG2 4.16Å; Q228-V232 WeakPolarHBondContact O-CG2 3.39Å; Q228-V232 PolarHBondContact O-N 3.16Å |
| 233 | C | 68.4 | Low | 83.7 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | trans | -143.8 | 97.3 | -174.2 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | R201 L229 I230 A231 N235 | R201-C233 VanDerWaalsContact CD-SG 3.57Å; R201-C233 HydrophobicContact CG-CB 4.05Å; R201-C233 VanDerWaalsContact CG-SG 3.51Å; R201-C233 PolarHBondContact NE-SG 3.23Å; R201-C233 PolarHBondContact NH2-SG 3.34Å; L229-C233 PolarHBondContact O-N 3.39Å; I230-C233 CarbonylContact O-C 3.36Å; I230-C233 PolarHBondContact O-N 3.44Å; A231-C233 VanDerWaalsContact C-N 3.34Å; C233-N235 PolarHBondContact O-N 2.92Å | ||
| 234 | S | 75.8 | Confident | 84 | Confident | 73 Ų | 73 | 38.8 Ų | 38.8 | 51% | 0.51 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -8.5 | 179.2 | 60 | 0 | 0 | 0 | 0 | 114.6 | I230 Y240 Y277 | I230-S234 PolarHBondContact O-N 3.34Å; S234-Y240 WeakPolarHBondContact O-CE2 3.5Å; S234-Y277 WeakPolarHBondContact O-CE2 3.48Å; S234-Y277 PolarHBondContact O-OH 2.95Å |
| 235 | N | 80 | Confident | 84.1 | Confident | 91 Ų | 91 | 36.8 Ų | 36.8 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 26.8 | -172.7 | 68.1 | -8.3 | 0 | 0 | 0 | 115.5 | R201 C233 Y277 | R201-N235 PolarHBondContact NH1-OD1 2.97Å; C233-N235 PolarHBondContact O-N 2.92Å; N235-Y277 HydrophobicContact CB-CD1 4.17Å; N235-Y277 HydrophobicContact CB-CE1 4.1Å |
| 236 | S | 81.1 | Confident | 84.2 | Confident | 25 Ų | 25 | 36.7 Ų | 36.7 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | trans | -107.8 | 105.7 | -174.4 | -177.7 | 0 | 0 | 0 | 0 | 113.5 | K238 A239 Y240 | S236-K238 VanDerWaalsContact C-N 3.31Å; S236-K238 PolarHBondContact O-N 3.29Å; S236-A239 PolarHBondContact O-N 3.08Å; S236-A239 PolarHBondContact OG-N 2.83Å; S236-Y240 VanDerWaalsContact O-CD2 3.28Å; S236-Y240 WeakPolarHBondContact O-CD2 3.38Å; S236-Y240 PolarHBondContact O-N 2.74Å | ||
| 237 | E | 85.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 37 Ų | 37 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -50.4 | -49.3 | 173.6 | 174.9 | -173.1 | -172.8 | 0 | 0 | 111.8 | A239 Y241 K280 F281 | E237-A239 PolarHBondContact O-N 3.16Å; E237-Y241 WeakPolarHBondContact O-CB 3.18Å; E237-Y241 PolarHBondContact O-N 3.37Å; E237-K280 WeakPolarHBondContact OE1-CA 3.5Å; E237-K280 VanDerWaalsContact OE1-CB 3.3Å; E237-K280 WeakPolarHBondContact OE1-CB 3.35Å; E237-K280 PolarHBondContact OE1-N 3.3Å; E237-F281 HydrophobicContact CG-CD2 3.9Å; E237-F281 HydrophobicContact CG-CE2 4.32Å; E237-F281 VanDerWaalsContact OE1-CD2 3.28Å; E237-F281 WeakPolarHBondContact OE1-CD2 3.46Å; E237-F281 PolarHBondContact OE1-N 2.95Å |
| 238 | K | 87 | Confident | 84.1 | Confident | 98 Ų | 98 | 34 Ų | 34 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.8 | -37.9 | -174.9 | -68 | 178 | -177.3 | 176.7 | 0 | 112.7 | L205 S236 Y241 H242 F281 | L205-K238 HydrophobicContact CD2-CB 3.64Å; L205-K238 HydrophobicContact CD2-CD 4.04Å; L205-K238 HydrophobicContact CD2-CG 4.49Å; S236-K238 VanDerWaalsContact C-N 3.31Å; S236-K238 PolarHBondContact O-N 3.29Å; K238-Y241 PolarHBondContact O-N 3.24Å; K238-H242 WeakPolarHBondContact O-CB 3.45Å; K238-H242 PolarHBondContact O-CD2 3.4Å; K238-H242 PolarHBondContact O-N 3.03Å; K238-F281 HydrophobicContact CG-CE2 3.89Å; K238-F281 HydrophobicContact CG-CZ 4.34Å |
| 239 | A | 87.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64 | -51.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L229 I230 S236 E237 Y241 H242 A243 | L229-A239 HydrophobicContact CD2-CB 3.52Å; L229-A239 HydrophobicContact CG-CB 3.92Å; I230-A239 HydrophobicContact CG1-CB 4.27Å; S236-A239 PolarHBondContact O-N 3.08Å; S236-A239 PolarHBondContact OG-N 2.83Å; E237-A239 PolarHBondContact O-N 3.16Å; A239-Y241 PolarHBondContact O-N 3.24Å; A239-H242 PolarHBondContact O-N 2.73Å; A239-A243 VanDerWaalsContact O-CB 3.26Å; A239-A243 WeakPolarHBondContact O-CB 3.19Å; A239-A243 PolarHBondContact O-N 3.06Å |
| 240 | Y | 90.2 | Very high | 83.7 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 8% | 0.082 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.5 | -74.5 | -67.4 | 0 | 0 | 0 | 112.5 | I230 S234 S236 A244 F270 K273 Y277 | I230-Y240 HydrophobicContact CB-CE1 4.5Å; I230-Y240 HydrophobicContact CD1-CD1 3.8Å; I230-Y240 HydrophobicContact CD1-CE1 3.82Å; I230-Y240 HydrophobicContact CG1-CD1 4.2Å; I230-Y240 HydrophobicContact CG1-CE1 4.01Å; I230-Y240 HydrophobicContact CG2-CE1 3.64Å; I230-Y240 VanDerWaalsContact CG2-OH 3.32Å; I230-Y240 WeakPolarHBondContact CG2-OH 3.49Å; S234-Y240 WeakPolarHBondContact O-CE2 3.5Å; S236-Y240 VanDerWaalsContact O-CD2 3.28Å; S236-Y240 WeakPolarHBondContact O-CD2 3.38Å; S236-Y240 PolarHBondContact O-N 2.74Å; Y240-A244 WeakPolarHBondContact O-CB 3.36Å; Y240-A244 PolarHBondContact O-N 3.25Å; Y240-F270 WeakPolarHBondContact CB-O 3.4Å; Y240-F270 HydrophobicContact CD1-CB 4.45Å; Y240-F270 AromaticContact CD1-CD1 3.75Å; Y240-F270 HydrophobicContact CD1-CD1 3.75Å; Y240-F270 HydrophobicContact CD1-CE1 4.37Å; Y240-F270 HydrophobicContact CD1-CG 4.33Å; Y240-F270 HydrophobicContact CE1-CD1 4.07Å; Y240-F270 HydrophobicContact CE1-CE1 4.35Å; Y240-K273 HydrophobicContact CD1-CB 3.9Å; Y240-K273 HydrophobicContact CD2-CB 4.08Å; Y240-K273 HydrophobicContact CE1-CB 4.01Å; Y240-K273 HydrophobicContact CE1-CG 4.43Å; Y240-K273 HydrophobicContact CE2-CB 4.2Å; Y240-K273 HydrophobicContact CG-CB 3.94Å; Y240-Y277 AromaticContact CD2-CD2 3.98Å; Y240-Y277 HydrophobicContact CD2-CD2 3.98Å; Y240-Y277 AromaticContact CD2-CE2 3.91Å; Y240-Y277 HydrophobicContact CD2-CE2 3.91Å; Y240-Y277 HydrophobicContact CE2-CD2 4.03Å; Y240-Y277 AromaticContact CE2-CE2 3.52Å; Y240-Y277 HydrophobicContact CE2-CE2 3.52Å |
| 241 | Y | 90.4 | Very high | 83.3 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 9% | 0.09 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -53.3 | 178 | 175.2 | -104.7 | 0 | 0 | 0 | 112.4 | E237 K238 A239 A243 A244 V245 Y271 F281 H284 S285 | E237-Y241 WeakPolarHBondContact O-CB 3.18Å; E237-Y241 PolarHBondContact O-N 3.37Å; K238-Y241 PolarHBondContact O-N 3.24Å; A239-Y241 PolarHBondContact O-N 3.24Å; Y241-A243 VanDerWaalsContact C-N 3.34Å; Y241-A243 PolarHBondContact O-N 3.49Å; Y241-A244 PolarHBondContact O-N 2.97Å; Y241-V245 HydrophobicContact CD1-CG2 4.41Å; Y241-V245 HydrophobicContact CD2-CG2 4.3Å; Y241-V245 HydrophobicContact CE1-CG2 3.96Å; Y241-V245 HydrophobicContact CE2-CG2 3.87Å; Y241-V245 WeakPolarHBondContact O-CG2 3.49Å; Y241-V245 PolarHBondContact O-N 3.48Å; Y241-Y271 HydrophobicContact CD2-CE1 4.34Å; Y241-Y271 HydrophobicContact CE2-CE1 4.4Å; Y241-F281 AromaticContact CD1-CD1 3.77Å; Y241-F281 HydrophobicContact CD1-CD1 3.77Å; Y241-F281 AromaticContact CD1-CD2 3.95Å; Y241-F281 HydrophobicContact CD1-CD2 3.95Å; Y241-F281 AromaticContact CD1-CE1 3.82Å; Y241-F281 HydrophobicContact CD1-CE1 3.82Å; Y241-F281 HydrophobicContact CD1-CE2 4Å; Y241-F281 AromaticContact CD1-CG 3.83Å; Y241-F281 HydrophobicContact CD1-CG 3.83Å; Y241-F281 AromaticContact CD1-CZ 3.92Å; Y241-F281 HydrophobicContact CD1-CZ 3.92Å; Y241-F281 HydrophobicContact CD2-CB 3.57Å; Y241-F281 HydrophobicContact CD2-CD1 4.2Å; Y241-F281 HydrophobicContact CD2-CD2 4.17Å; Y241-F281 AromaticContact CD2-CG 3.73Å; Y241-F281 HydrophobicContact CD2-CG 3.73Å; Y241-F281 AromaticContact CE1-CD1 3.51Å; Y241-F281 HydrophobicContact CE1-CD1 3.51Å; Y241-F281 AromaticContact CE1-CE1 3.63Å; Y241-F281 HydrophobicContact CE1-CE1 3.63Å; Y241-F281 AromaticContact CE1-CG 3.99Å; Y241-F281 HydrophobicContact CE1-CG 3.99Å; Y241-F281 HydrophobicContact CE1-CZ 4.2Å; Y241-F281 HydrophobicContact CE2-CB 3.64Å; Y241-F281 AromaticContact CE2-CD1 3.95Å; Y241-F281 HydrophobicContact CE2-CD1 3.95Å; Y241-F281 AromaticContact CE2-CG 3.86Å; Y241-F281 HydrophobicContact CE2-CG 3.86Å; Y241-F281 HydrophobicContact CG-CB 4.05Å; Y241-F281 HydrophobicContact CG-CD1 4.11Å; Y241-F281 AromaticContact CG-CD2 3.75Å; Y241-F281 HydrophobicContact CG-CD2 3.75Å; Y241-F281 HydrophobicContact CG-CE2 4.19Å; Y241-F281 AromaticContact CG-CG 3.69Å; Y241-F281 HydrophobicContact CG-CG 3.69Å; Y241-F281 AromaticContact CZ-CD1 3.61Å; Y241-H284 HydrophobicContact CE2-CB 4.21Å; Y241-H284 AromaticContact CE2-CG 3.97Å; Y241-H284 AromaticContact CE2-ND1 3.35Å; Y241-H284 WeakPolarHBondContact CE2-ND1 3.17Å; Y241-H284 AromaticContact CZ-ND1 3.82Å; Y241-H284 PolarHBondContact OH-ND1 3.45Å; Y241-S285 VanDerWaalsContact CD2-OG 3.3Å; Y241-S285 WeakPolarHBondContact CD2-OG 3.48Å |
| 242 | H | 89.6 | Confident | 82.7 | Confident | 38 Ų | 38 | 35.2 Ų | 35.2 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69 | -32.9 | -177.3 | -73.2 | -65.2 | 0 | 0 | 0 | 112.5 | L205 N209 Y226 K238 A239 V245 H246 | L205-H242 HydrophobicContact CD1-CB 4.38Å; N209-H242 PolarHBondContact OD1-ND1 2.94Å; Y226-H242 HydrophobicContact CE1-CB 3.79Å; K238-H242 WeakPolarHBondContact O-CB 3.45Å; K238-H242 PolarHBondContact O-CD2 3.4Å; K238-H242 PolarHBondContact O-N 3.03Å; A239-H242 PolarHBondContact O-N 2.73Å; H242-V245 PolarHBondContact O-N 3.18Å; H242-H246 WeakPolarHBondContact O-CB 3.18Å; H242-H246 PolarHBondContact O-N 3.39Å |
| 243 | A | 88.9 | Confident | 82.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y226 I230 A239 Y241 H246 L247 F270 | Y226-A243 HydrophobicContact CD1-CB 4.11Å; Y226-A243 HydrophobicContact CD2-CB 4.35Å; Y226-A243 HydrophobicContact CG-CB 3.84Å; I230-A243 HydrophobicContact CD1-CB 4.33Å; A239-A243 VanDerWaalsContact O-CB 3.26Å; A239-A243 WeakPolarHBondContact O-CB 3.19Å; A239-A243 PolarHBondContact O-N 3.06Å; Y241-A243 VanDerWaalsContact C-N 3.34Å; Y241-A243 PolarHBondContact O-N 3.49Å; A243-H246 PolarHBondContact O-N 3.28Å; A243-L247 WeakPolarHBondContact O-CG 3.29Å; A243-L247 PolarHBondContact O-N 2.99Å; A243-F270 HydrophobicContact CB-CD2 3.99Å; A243-F270 HydrophobicContact CB-CE2 4.22Å |
| 244 | A | 89 | Confident | 81.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y240 Y241 H246 L247 D248 F270 Y271 | Y240-A244 WeakPolarHBondContact O-CB 3.36Å; Y240-A244 PolarHBondContact O-N 3.25Å; Y241-A244 PolarHBondContact O-N 2.97Å; A244-H246 VanDerWaalsContact C-N 3.3Å; A244-H246 PolarHBondContact O-N 3.46Å; A244-L247 PolarHBondContact O-N 3.19Å; A244-D248 WeakPolarHBondContact O-CB 3.47Å; A244-D248 PolarHBondContact O-N 2.94Å; A244-F270 HydrophobicContact CB-CB 3.78Å; A244-Y271 HydrophobicContact CB-CD1 3.57Å; A244-Y271 HydrophobicContact CB-CD2 3.78Å; A244-Y271 HydrophobicContact CB-CE1 3.52Å; A244-Y271 HydrophobicContact CB-CE2 3.75Å; A244-Y271 HydrophobicContact CB-CG 3.7Å |
| 245 | V | 86.9 | Confident | 81.1 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -38.6 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | Y241 H242 D248 Q249 Y271 | Y241-V245 HydrophobicContact CD1-CG2 4.41Å; Y241-V245 HydrophobicContact CD2-CG2 4.3Å; Y241-V245 HydrophobicContact CE1-CG2 3.96Å; Y241-V245 HydrophobicContact CE2-CG2 3.87Å; Y241-V245 WeakPolarHBondContact O-CG2 3.49Å; Y241-V245 PolarHBondContact O-N 3.48Å; H242-V245 PolarHBondContact O-N 3.18Å; V245-D248 PolarHBondContact O-N 3.36Å; V245-Q249 WeakPolarHBondContact O-CG 3.43Å; V245-Q249 PolarHBondContact O-N 3.18Å; V245-Y271 HydrophobicContact CG2-CE1 4.2Å |
| 246 | H | 86.1 | Confident | 80.1 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -48.7 | 176.4 | -178.1 | 48.5 | 0 | 0 | 0 | 111.6 | R212 V222 Y226 H242 A243 A244 D248 Q249 V250 | R212-H246 WeakPolarHBondContact CD-ND1 2.95Å; R212-H246 WeakPolarHBondContact CG-ND1 3.49Å; V222-H246 WeakPolarHBondContact CG1-NE2 3.44Å; Y226-H246 HydrophobicContact CE2-CB 4.03Å; H242-H246 WeakPolarHBondContact O-CB 3.18Å; H242-H246 PolarHBondContact O-N 3.39Å; A243-H246 PolarHBondContact O-N 3.28Å; A244-H246 VanDerWaalsContact C-N 3.3Å; A244-H246 PolarHBondContact O-N 3.46Å; H246-D248 VanDerWaalsContact C-N 3.27Å; H246-D248 PolarHBondContact O-N 2.92Å; H246-Q249 WeakPolarHBondContact O-CB 3.29Å; H246-Q249 PolarHBondContact O-N 3.4Å; H246-Q249 VanDerWaalsContact O-N 3.12Å; H246-V250 VanDerWaalsContact CE1-CG2 3.5Å; H246-V250 WeakPolarHBondContact CE1-CG2 3.48Å; H246-V250 VanDerWaalsContact O-CG2 3.3Å; H246-V250 WeakPolarHBondContact O-CG2 3.38Å; H246-V250 PolarHBondContact O-N 2.9Å |
| 247 | L | 85.4 | Confident | 79.1 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 176.7 | -69.3 | 177.7 | 0 | 0 | 0 | 111.4 | V223 A243 A244 Q249 V250 V251 V263 Q266 M267 F270 | V223-L247 HydrophobicContact CG1-CD2 4.45Å; V223-L247 HydrophobicContact CG2-CD2 3.6Å; A243-L247 WeakPolarHBondContact O-CG 3.29Å; A243-L247 PolarHBondContact O-N 2.99Å; A244-L247 PolarHBondContact O-N 3.19Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 3.3Å; L247-V250 PolarHBondContact O-N 3.26Å; L247-V251 WeakPolarHBondContact O-CG2 3.28Å; L247-V251 PolarHBondContact O-N 3.09Å; L247-V263 HydrophobicContact CB-CG1 4.12Å; L247-V263 HydrophobicContact CD1-CG1 4.05Å; L247-V263 HydrophobicContact CD2-CG1 3.84Å; L247-V263 HydrophobicContact CG-CG1 4.23Å; L247-Q266 HydrophobicContact CD1-CB 4.49Å; L247-M267 HydrophobicContact CB-CG 3.59Å; L247-M267 HydrophobicContact CB-SD 4.11Å; L247-M267 HydrophobicContact CD1-CG 3.96Å; L247-M267 HydrophobicContact CG-CG 4.45Å; L247-F270 HydrophobicContact CD1-CD2 3.76Å; L247-F270 HydrophobicContact CD1-CE2 3.73Å |
| 248 | D | 83.2 | Confident | 77.9 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 176.1 | -154 | 3.6 | 0 | 0 | 0 | 112.1 | A244 V245 H246 H252 M267 Y271 R288 | A244-D248 WeakPolarHBondContact O-CB 3.47Å; A244-D248 PolarHBondContact O-N 2.94Å; V245-D248 PolarHBondContact O-N 3.36Å; H246-D248 VanDerWaalsContact C-N 3.27Å; H246-D248 PolarHBondContact O-N 2.92Å; D248-H252 PolarHBondContact O-CD2 3.03Å; D248-M267 VanDerWaalsContact CA-CE 3.48Å; D248-M267 HydrophobicContact CB-CE 3.66Å; D248-Y271 PolarHBondContact OD2-OH 3.05Å; D248-R288 IonicContact OD1-CZ 3.99Å; D248-R288 IonicContact OD1-NE 3.62Å; D248-R288 IonicContact OD1-NH2 3.09Å; D248-R288 PolarHBondContact OD1-NH2 2.96Å; D248-R288 IonicContact OD2-CZ 2.85Å; D248-R288 IonicContact OD2-NE 3.74Å; D248-R288 PolarHBondContact OD2-NE 3.15Å; D248-R288 IonicContact OD2-NH2 3.56Å; D248-R288 PolarHBondContact OD2-NH2 2.98Å |
| 249 | Q | 81.1 | Confident | 77.2 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 174.7 | -72.9 | 171 | -7.3 | 0 | 0 | 112.2 | V245 H246 L247 H252 | V245-Q249 WeakPolarHBondContact O-CG 3.43Å; V245-Q249 PolarHBondContact O-N 3.18Å; H246-Q249 WeakPolarHBondContact O-CB 3.29Å; H246-Q249 PolarHBondContact O-N 3.4Å; H246-Q249 VanDerWaalsContact O-N 3.12Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 3.3Å; Q249-H252 PolarHBondContact O-N 3.36Å |
| 250 | V | 79.1 | Confident | 76.7 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -37 | -178 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | T219 H246 L247 H252 T253 Y256 | T219-V250 HydrophobicContact CG2-CG1 4.11Å; T219-V250 HydrophobicContact CG2-CG2 3.63Å; H246-V250 VanDerWaalsContact CE1-CG2 3.5Å; H246-V250 WeakPolarHBondContact CE1-CG2 3.48Å; H246-V250 VanDerWaalsContact O-CG2 3.3Å; H246-V250 WeakPolarHBondContact O-CG2 3.38Å; H246-V250 PolarHBondContact O-N 2.9Å; L247-V250 PolarHBondContact O-N 3.26Å; V250-H252 PolarHBondContact O-N 3.49Å; V250-H252 VanDerWaalsContact O-N 3.11Å; V250-T253 WeakPolarHBondContact O-CB 3.43Å; V250-T253 PolarHBondContact O-N 3.23Å; V250-T253 PolarHBondContact O-OG1 3.24Å; V250-Y256 HydrophobicContact CG1-CD1 4.35Å; V250-Y256 HydrophobicContact CG1-CD2 3.43Å; V250-Y256 VanDerWaalsContact CG1-CD2 3.43Å; V250-Y256 HydrophobicContact CG1-CE2 3.83Å; V250-Y256 HydrophobicContact CG1-CG 3.71Å |
| 251 | V | 75.6 | Confident | 76 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.5 | -32.1 | 176.5 | 156.5 | 0 | 0 | 0 | 0 | 113 | L247 T253 Y260 M267 | L247-V251 WeakPolarHBondContact O-CG2 3.28Å; L247-V251 PolarHBondContact O-N 3.09Å; V251-T253 VanDerWaalsContact C-N 3.26Å; V251-T253 PolarHBondContact O-N 3.42Å; V251-Y260 HydrophobicContact CB-CD2 4.08Å; V251-Y260 HydrophobicContact CB-CE2 4.39Å; V251-Y260 HydrophobicContact CG1-CD2 3.22Å; V251-Y260 HydrophobicContact CG1-CE2 3.42Å; V251-Y260 VanDerWaalsContact CG1-CE2 3.42Å; V251-Y260 HydrophobicContact CG1-CG 4.33Å; V251-Y260 HydrophobicContact CG2-CD2 3.68Å; V251-Y260 HydrophobicContact CG2-CE2 4.12Å; V251-M267 HydrophobicContact CG2-SD 3.8Å |
| 252 | H | 69.2 | Low | 75.5 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8.9 | 179.2 | -70.4 | -58.9 | 0 | 0 | 0 | 113.8 | D248 Q249 V250 | D248-H252 PolarHBondContact O-CD2 3.03Å; Q249-H252 PolarHBondContact O-N 3.36Å; V250-H252 PolarHBondContact O-N 3.49Å; V250-H252 VanDerWaalsContact O-N 3.11Å |
| 253 | T | 70.6 | Confident | 75.2 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -82.9 | 142.7 | 174.9 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | V250 V251 S255 Y256 | V250-T253 WeakPolarHBondContact O-CB 3.43Å; V250-T253 PolarHBondContact O-N 3.23Å; V250-T253 PolarHBondContact O-OG1 3.24Å; V251-T253 VanDerWaalsContact C-N 3.26Å; V251-T253 PolarHBondContact O-N 3.42Å; T253-S255 PolarHBondContact O-N 2.94Å; T253-S255 VanDerWaalsContact O-N 3.15Å; T253-Y256 PolarHBondContact O-N 2.74Å |
| 254 | L | 57.2 | Low | 75.1 | Confident | 142 Ų | 142 | 59.1 Ų | 59.1 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -54.1 | -37.3 | -171.6 | -74.4 | 159.9 | 0 | 0 | 0 | 113.3 | Y256 | L254-Y256 VanDerWaalsContact C-N 3.32Å; L254-Y256 PolarHBondContact O-N 2.78Å |
| 255 | S | 60 | Low | 75 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 72% | 0.72 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -67.7 | -25.6 | -175.6 | -48.5 | 0 | 0 | 0 | 0 | 114.4 | T253 | T253-S255 PolarHBondContact O-N 2.94Å; T253-S255 VanDerWaalsContact O-N 3.15Å |
| 256 | Y | 58.2 | Low | 75 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 27% | 0.271 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -102.3 | -3.9 | -175.7 | -94.7 | -88 | 0 | 0 | 0 | 114.5 | V250 T253 L254 S258 S259 Y260 V263 | V250-Y256 HydrophobicContact CG1-CD1 4.35Å; V250-Y256 HydrophobicContact CG1-CD2 3.43Å; V250-Y256 VanDerWaalsContact CG1-CD2 3.43Å; V250-Y256 HydrophobicContact CG1-CE2 3.83Å; V250-Y256 HydrophobicContact CG1-CG 3.71Å; T253-Y256 PolarHBondContact O-N 2.74Å; L254-Y256 VanDerWaalsContact C-N 3.32Å; L254-Y256 PolarHBondContact O-N 2.78Å; Y256-S258 VanDerWaalsContact C-N 3.25Å; Y256-S258 PolarHBondContact O-N 3.42Å; Y256-S259 CarbonylContact O-C 3.39Å; Y256-S259 PolarHBondContact O-N 3.49Å; Y256-Y260 PolarHBondContact O-N 2.96Å; Y256-V263 HydrophobicContact CD1-CG2 4.4Å; Y256-V263 HydrophobicContact CE1-CG2 4.49Å |
| 257 | R | 60 | Low | 75.1 | Confident | 152 Ų | 152 | 62.2 Ų | 62.2 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -55.3 | -42.5 | 177.3 | -80.1 | -169.4 | 178.8 | 175.5 | 0.5 | 112.1 | S259 Y260 | R257-S259 PolarHBondContact O-N 2.94Å; R257-Y260 WeakPolarHBondContact O-CB 3.29Å; R257-Y260 PolarHBondContact O-N 3.3Å |
| 258 | S | 61.3 | Low | 75.4 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -63.8 | -23.3 | 177.5 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | Y256 | Y256-S258 VanDerWaalsContact C-N 3.25Å; Y256-S258 PolarHBondContact O-N 3.42Å |
| 259 | S | 71.9 | Confident | 75.7 | Confident | 34 Ų | 34 | 64 Ų | 64 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -106.8 | 5.8 | -179.9 | -66.4 | 0 | 0 | 0 | 0 | 113.6 | Y256 R257 H261 K262 V263 | Y256-S259 CarbonylContact O-C 3.39Å; Y256-S259 PolarHBondContact O-N 3.49Å; R257-S259 PolarHBondContact O-N 2.94Å; S259-H261 PolarHBondContact O-N 3.32Å; S259-K262 WeakPolarHBondContact O-CB 3.36Å; S259-K262 PolarHBondContact O-N 3.46Å; S259-V263 PolarHBondContact O-N 2.85Å |
| 260 | Y | 76.2 | Confident | 76.2 | Confident | 50 Ų | 50 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -51 | -45.7 | -178.3 | 174.9 | -113.2 | 0 | 0 | 0 | 111.9 | V251 Y256 R257 K262 V263 L264 S296 | V251-Y260 HydrophobicContact CB-CD2 4.08Å; V251-Y260 HydrophobicContact CB-CE2 4.39Å; V251-Y260 HydrophobicContact CG1-CD2 3.22Å; V251-Y260 HydrophobicContact CG1-CE2 3.42Å; V251-Y260 VanDerWaalsContact CG1-CE2 3.42Å; V251-Y260 HydrophobicContact CG1-CG 4.33Å; V251-Y260 HydrophobicContact CG2-CD2 3.68Å; V251-Y260 HydrophobicContact CG2-CE2 4.12Å; Y256-Y260 PolarHBondContact O-N 2.96Å; R257-Y260 WeakPolarHBondContact O-CB 3.29Å; R257-Y260 PolarHBondContact O-N 3.3Å; Y260-K262 VanDerWaalsContact C-N 3.25Å; Y260-K262 PolarHBondContact O-N 2.92Å; Y260-V263 PolarHBondContact O-N 3.4Å; Y260-L264 HydrophobicContact CE1-CD2 4.32Å; Y260-L264 HydrophobicContact CE2-CD1 4.37Å; Y260-L264 WeakPolarHBondContact O-CB 3.47Å; Y260-L264 PolarHBondContact O-N 3.14Å; Y260-S296 PolarHBondContact OH-OG 3.49Å; Y260-S296 VanDerWaalsContact OH-OG 3.13Å |
| 261 | H | 76.7 | Confident | 76.8 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -28.9 | 179.7 | -64.9 | -61.5 | 0 | 0 | 0 | 114 | S259 P265 M317 L325 | S259-H261 PolarHBondContact O-N 3.32Å; H261-P265 WeakPolarHBondContact O-CD 3.47Å; H261-M317 HydrophobicContact CB-CE 4.46Å; H261-L325 HydrophobicContact CB-CD2 3.82Å; H261-L325 WeakPolarHBondContact ND1-CD2 3.44Å; H261-L325 WeakPolarHBondContact O-CD1 3.47Å |
| 262 | K | 78.8 | Confident | 77.4 | Confident | 164 Ų | 164 | 59.7 Ų | 59.7 | 71% | 0.713 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -80.1 | -33 | 178 | -63.2 | -177.4 | -179.8 | 177.9 | 0 | 112.5 | S259 Y260 | S259-K262 WeakPolarHBondContact O-CB 3.36Å; S259-K262 PolarHBondContact O-N 3.46Å; Y260-K262 VanDerWaalsContact C-N 3.25Å; Y260-K262 PolarHBondContact O-N 2.92Å |
| 263 | V | 83.4 | Confident | 78.4 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -86.2 | -27.1 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | L247 Y256 S259 Y260 Q266 M267 | L247-V263 HydrophobicContact CB-CG1 4.12Å; L247-V263 HydrophobicContact CD1-CG1 4.05Å; L247-V263 HydrophobicContact CD2-CG1 3.84Å; L247-V263 HydrophobicContact CG-CG1 4.23Å; Y256-V263 HydrophobicContact CD1-CG2 4.4Å; Y256-V263 HydrophobicContact CE1-CG2 4.49Å; S259-V263 PolarHBondContact O-N 2.85Å; Y260-V263 PolarHBondContact O-N 3.4Å; V263-Q266 WeakPolarHBondContact O-CB 3.36Å; V263-Q266 PolarHBondContact O-N 2.91Å; V263-M267 HydrophobicContact CG1-CG 4.04Å; V263-M267 HydrophobicContact CG1-SD 4.03Å; V263-M267 PolarHBondContact O-N 2.86Å |
| 264 | L | 86.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.7 | -47.2 | -175.8 | 178.2 | 68.3 | 0 | 0 | 0 | 114.5 | Y260 Q266 M267 V268 L292 S296 L329 | Y260-L264 HydrophobicContact CE1-CD2 4.32Å; Y260-L264 HydrophobicContact CE2-CD1 4.37Å; Y260-L264 WeakPolarHBondContact O-CB 3.47Å; Y260-L264 PolarHBondContact O-N 3.14Å; L264-Q266 VanDerWaalsContact C-N 3.26Å; L264-Q266 PolarHBondContact O-N 3.07Å; L264-M267 WeakPolarHBondContact O-CB 3.2Å; L264-M267 PolarHBondContact O-N 3.44Å; L264-V268 PolarHBondContact O-N 3.41Å; L264-V268 VanDerWaalsContact O-N 3.08Å; L264-L292 HydrophobicContact CD1-CB 4.19Å; L264-L292 HydrophobicContact CD1-CD2 4.41Å; L264-S296 VanDerWaalsContact CD2-CB 3.41Å; L264-S296 VanDerWaalsContact CD2-OG 3.31Å; L264-S296 WeakPolarHBondContact CD2-OG 3.39Å; L264-L329 HydrophobicContact CD2-CD1 3.73Å; L264-L329 HydrophobicContact CD2-CD2 4.22Å; L264-L329 HydrophobicContact CG-CD1 4.43Å; L264-L329 HydrophobicContact CG-CD2 4.02Å |
| 265 | P | 87.6 | Confident | 80.7 | Confident | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.078 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -35.1 | 176.6 | -23.5 | 34.9 | 0 | 0 | 0 | 112.9 | H261 N269 L325 Q328 L329 | H261-P265 WeakPolarHBondContact O-CD 3.47Å; P265-N269 WeakPolarHBondContact O-CB 3.45Å; P265-N269 PolarHBondContact O-N 3.14Å; P265-L325 HydrophobicContact CG-CD1 3.62Å; P265-Q328 HydrophobicContact CB-CG 4.42Å; P265-L329 HydrophobicContact CB-CD2 4.42Å; P265-L329 HydrophobicContact CG-CD2 4.28Å |
| 266 | Q | 87.1 | Confident | 82 | Confident | 83 Ų | 83 | 44.6 Ų | 44.6 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 177.5 | -58.7 | -177.3 | 0.4 | 0 | 0 | 111 | L247 V263 L264 N269 F270 | L247-Q266 HydrophobicContact CD1-CB 4.49Å; V263-Q266 WeakPolarHBondContact O-CB 3.36Å; V263-Q266 PolarHBondContact O-N 2.91Å; L264-Q266 VanDerWaalsContact C-N 3.26Å; L264-Q266 PolarHBondContact O-N 3.07Å; Q266-N269 PolarHBondContact O-N 3.36Å; Q266-F270 WeakPolarHBondContact O-CB 3.46Å; Q266-F270 VanDerWaalsContact O-CG 3.27Å; Q266-F270 WeakPolarHBondContact O-CG 3.3Å; Q266-F270 PolarHBondContact O-N 2.95Å |
| 267 | M | 89 | Confident | 83.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 176.1 | -68.9 | 170.4 | 59.6 | 0 | 0 | 112.1 | L247 D248 V251 V263 L264 N269 F270 Y271 L292 | L247-M267 HydrophobicContact CB-CG 3.59Å; L247-M267 HydrophobicContact CB-SD 4.11Å; L247-M267 HydrophobicContact CD1-CG 3.96Å; L247-M267 HydrophobicContact CG-CG 4.45Å; D248-M267 VanDerWaalsContact CA-CE 3.48Å; D248-M267 HydrophobicContact CB-CE 3.66Å; V251-M267 HydrophobicContact CG2-SD 3.8Å; V263-M267 HydrophobicContact CG1-CG 4.04Å; V263-M267 HydrophobicContact CG1-SD 4.03Å; V263-M267 PolarHBondContact O-N 2.86Å; L264-M267 WeakPolarHBondContact O-CB 3.2Å; L264-M267 PolarHBondContact O-N 3.44Å; M267-N269 VanDerWaalsContact C-N 3.33Å; M267-N269 PolarHBondContact O-N 3.06Å; M267-F270 PolarHBondContact O-N 3.36Å; M267-Y271 WeakPolarHBondContact O-CD2 3.36Å; M267-Y271 PolarHBondContact O-N 3.42Å; M267-L292 HydrophobicContact CE-CD1 3.71Å; M267-L292 HydrophobicContact CE-CD2 4.09Å |
| 268 | V | 90.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | L264 G272 L289 L329 V333 L336 | L264-V268 PolarHBondContact O-N 3.41Å; L264-V268 VanDerWaalsContact O-N 3.08Å; V268-G272 PolarHBondContact O-N 2.85Å; V268-L289 HydrophobicContact CG1-CD1 4.28Å; V268-L289 HydrophobicContact CG1-CG 4.15Å; V268-L289 WeakPolarHBondContact O-CD1 3.26Å; V268-L329 HydrophobicContact CG2-CD2 4.04Å; V268-V333 HydrophobicContact CG1-CG2 3.98Å; V268-L336 HydrophobicContact CG1-CD1 4.48Å |
| 269 | N | 90.7 | Very high | 85 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 35% | 0.353 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.7 | -173.5 | 39.8 | 0 | 0 | 0 | 112.3 | P265 Q266 M267 G272 K273 | P265-N269 WeakPolarHBondContact O-CB 3.45Å; P265-N269 PolarHBondContact O-N 3.14Å; Q266-N269 PolarHBondContact O-N 3.36Å; M267-N269 VanDerWaalsContact C-N 3.33Å; M267-N269 PolarHBondContact O-N 3.06Å; N269-G272 PolarHBondContact O-N 3.39Å; N269-K273 WeakPolarHBondContact O-CB 3.28Å; N269-K273 WeakPolarHBondContact O-CG 3.38Å; N269-K273 PolarHBondContact O-N 3.36Å |
| 270 | F | 90.6 | Very high | 85.4 | Confident | 27 Ų | 27 | 38 Ų | 38 | 12% | 0.118 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 178.3 | -69.4 | -16.5 | 0 | 0 | 0 | 112.6 | I230 Y240 A243 A244 L247 Q266 M267 G272 K273 S274 | I230-F270 HydrophobicContact CD1-CE1 4.2Å; I230-F270 HydrophobicContact CD1-CZ 4.29Å; Y240-F270 WeakPolarHBondContact CB-O 3.4Å; Y240-F270 HydrophobicContact CD1-CB 4.45Å; Y240-F270 AromaticContact CD1-CD1 3.75Å; Y240-F270 HydrophobicContact CD1-CD1 3.75Å; Y240-F270 HydrophobicContact CD1-CE1 4.37Å; Y240-F270 HydrophobicContact CD1-CG 4.33Å; Y240-F270 HydrophobicContact CE1-CD1 4.07Å; Y240-F270 HydrophobicContact CE1-CE1 4.35Å; A243-F270 HydrophobicContact CB-CD2 3.99Å; A243-F270 HydrophobicContact CB-CE2 4.22Å; A244-F270 HydrophobicContact CB-CB 3.78Å; L247-F270 HydrophobicContact CD1-CD2 3.76Å; L247-F270 HydrophobicContact CD1-CE2 3.73Å; Q266-F270 WeakPolarHBondContact O-CB 3.46Å; Q266-F270 VanDerWaalsContact O-CG 3.27Å; Q266-F270 WeakPolarHBondContact O-CG 3.3Å; Q266-F270 PolarHBondContact O-N 2.95Å; M267-F270 PolarHBondContact O-N 3.36Å; F270-G272 VanDerWaalsContact C-N 3.3Å; F270-G272 PolarHBondContact O-N 2.94Å; F270-K273 PolarHBondContact O-N 3.23Å; F270-S274 PolarHBondContact O-N 3.45Å |
| 271 | Y | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 172.8 | -78.7 | -56.3 | 0 | 0 | 0 | 111.4 | Y241 A244 V245 D248 M267 S274 L275 R288 L292 | Y241-Y271 HydrophobicContact CD2-CE1 4.34Å; Y241-Y271 HydrophobicContact CE2-CE1 4.4Å; A244-Y271 HydrophobicContact CB-CD1 3.57Å; A244-Y271 HydrophobicContact CB-CD2 3.78Å; A244-Y271 HydrophobicContact CB-CE1 3.52Å; A244-Y271 HydrophobicContact CB-CE2 3.75Å; A244-Y271 HydrophobicContact CB-CG 3.7Å; V245-Y271 HydrophobicContact CG2-CE1 4.2Å; D248-Y271 PolarHBondContact OD2-OH 3.05Å; M267-Y271 WeakPolarHBondContact O-CD2 3.36Å; M267-Y271 PolarHBondContact O-N 3.42Å; Y271-S274 WeakPolarHBondContact O-CB 3.18Å; Y271-S274 PolarHBondContact O-N 3.24Å; Y271-S274 PolarHBondContact O-OG 2.95Å; Y271-L275 PolarHBondContact O-N 2.93Å; Y271-R288 HydrophobicContact CE2-CG 3.98Å; Y271-L292 HydrophobicContact CD2-CD1 4.09Å; Y271-L292 HydrophobicContact CE2-CD1 3.83Å |
| 272 | G | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V268 N269 F270 S274 L275 S276 | V268-G272 PolarHBondContact O-N 2.85Å; N269-G272 PolarHBondContact O-N 3.39Å; F270-G272 VanDerWaalsContact C-N 3.3Å; F270-G272 PolarHBondContact O-N 2.94Å; G272-S274 VanDerWaalsContact C-N 3.31Å; G272-S274 PolarHBondContact O-N 2.94Å; G272-L275 WeakPolarHBondContact O-CB 3.28Å; G272-L275 PolarHBondContact O-N 2.72Å; G272-L275 VanDerWaalsContact O-N 3.15Å; G272-S276 PolarHBondContact O-N 3.05Å |
| 273 | K | 89.2 | Confident | 86.1 | Confident | 51 Ų | 51 | 28.6 Ų | 28.6 | 22% | 0.222 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -32.8 | 175.7 | -72.4 | -67.3 | -179.9 | -170.6 | 0 | 112.5 | Y240 N269 F270 L275 S276 Y277 | Y240-K273 HydrophobicContact CD1-CB 3.9Å; Y240-K273 HydrophobicContact CD2-CB 4.08Å; Y240-K273 HydrophobicContact CE1-CB 4.01Å; Y240-K273 HydrophobicContact CE1-CG 4.43Å; Y240-K273 HydrophobicContact CE2-CB 4.2Å; Y240-K273 HydrophobicContact CG-CB 3.94Å; N269-K273 WeakPolarHBondContact O-CB 3.28Å; N269-K273 WeakPolarHBondContact O-CG 3.38Å; N269-K273 PolarHBondContact O-N 3.36Å; F270-K273 PolarHBondContact O-N 3.23Å; K273-L275 PolarHBondContact O-N 3.47Å; K273-S276 PolarHBondContact O-N 3.26Å; K273-S276 PolarHBondContact O-OG 2.95Å; K273-Y277 HydrophobicContact CB-CE2 4.36Å; K273-Y277 WeakPolarHBondContact O-CD2 3.19Å; K273-Y277 WeakPolarHBondContact O-CE2 3.48Å |
| 274 | S | 89.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.8 | -40.4 | 173.3 | 79.5 | 0 | 0 | 0 | 0 | 111.6 | F270 Y271 G272 S276 Y277 G278 S285 | F270-S274 PolarHBondContact O-N 3.45Å; Y271-S274 WeakPolarHBondContact O-CB 3.18Å; Y271-S274 PolarHBondContact O-N 3.24Å; Y271-S274 PolarHBondContact O-OG 2.95Å; G272-S274 VanDerWaalsContact C-N 3.31Å; G272-S274 PolarHBondContact O-N 2.94Å; S274-S276 PolarHBondContact O-N 2.99Å; S274-Y277 PolarHBondContact O-N 3.49Å; S274-G278 PolarHBondContact O-N 3.02Å; S274-S285 PolarHBondContact OG-OG 3.4Å; S274-S285 VanDerWaalsContact OG-OG 3.1Å |
| 275 | L | 87.2 | Confident | 86.2 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.6 | -26.2 | -179.1 | -64.8 | 167.5 | 0 | 0 | 0 | 113.4 | Y271 G272 K273 Y277 L282 L286 L340 L344 | Y271-L275 PolarHBondContact O-N 2.93Å; G272-L275 WeakPolarHBondContact O-CB 3.28Å; G272-L275 PolarHBondContact O-N 2.72Å; G272-L275 VanDerWaalsContact O-N 3.15Å; K273-L275 PolarHBondContact O-N 3.47Å; L275-Y277 VanDerWaalsContact C-N 3.25Å; L275-Y277 PolarHBondContact O-N 3.31Å; L275-L282 HydrophobicContact CD2-CD1 3.81Å; L275-L286 HydrophobicContact CD1-CB 3.82Å; L275-L286 HydrophobicContact CD1-CD1 3.94Å; L275-L286 HydrophobicContact CD1-CG 4.42Å; L275-L286 HydrophobicContact CD2-CB 4.34Å; L275-L340 HydrophobicContact CB-CD1 4.08Å; L275-L340 HydrophobicContact CB-CD2 4.03Å; L275-L340 HydrophobicContact CD1-CD1 4.32Å; L275-L344 HydrophobicContact CB-CD1 4.49Å |
| 276 | S | 86.1 | Confident | 86.3 | Confident | 53 Ų | 53 | 27.7 Ų | 27.7 | 37% | 0.371 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -71.2 | -21 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | G272 K273 S274 | G272-S276 PolarHBondContact O-N 3.05Å; K273-S276 PolarHBondContact O-N 3.26Å; K273-S276 PolarHBondContact O-OG 2.95Å; S274-S276 PolarHBondContact O-N 2.99Å |
| 277 | Y | 82.7 | Confident | 86.3 | Confident | 87 Ų | 87 | 24 Ų | 24 | 34% | 0.341 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -105.1 | -18.2 | -176.4 | -58.6 | -62.6 | 0 | 0 | 0 | 113.9 | S234 N235 Y240 K273 S274 L275 | S234-Y277 WeakPolarHBondContact O-CE2 3.48Å; S234-Y277 PolarHBondContact O-OH 2.95Å; N235-Y277 HydrophobicContact CB-CD1 4.17Å; N235-Y277 HydrophobicContact CB-CE1 4.1Å; Y240-Y277 AromaticContact CD2-CD2 3.98Å; Y240-Y277 HydrophobicContact CD2-CD2 3.98Å; Y240-Y277 AromaticContact CD2-CE2 3.91Å; Y240-Y277 HydrophobicContact CD2-CE2 3.91Å; Y240-Y277 HydrophobicContact CE2-CD2 4.03Å; Y240-Y277 AromaticContact CE2-CE2 3.52Å; Y240-Y277 HydrophobicContact CE2-CE2 3.52Å; K273-Y277 HydrophobicContact CB-CE2 4.36Å; K273-Y277 WeakPolarHBondContact O-CD2 3.19Å; K273-Y277 WeakPolarHBondContact O-CE2 3.48Å; S274-Y277 PolarHBondContact O-N 3.49Å; L275-Y277 VanDerWaalsContact C-N 3.25Å; L275-Y277 PolarHBondContact O-N 3.31Å |
| 278 | G | 80.1 | Confident | 86.1 | Confident | 8 Ų | 8 | 25.6 Ų | 25.6 | 8% | 0.082 | 12% | 0.124 | C | C | . | . | trans | -174 | 166.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S274 | S274-G278 PolarHBondContact O-N 3.02Š| ||
| 279 | T | 80 | Confident | 86.2 | Confident | 12 Ų | 12 | 25.8 Ų | 25.8 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -111.9 | 8.6 | -177.9 | 71 | 0 | 0 | 0 | 0 | 113.2 | F281 L282 F343 L344 P484 | T279-F281 VanDerWaalsContact C-N 3.28Å; T279-F281 PolarHBondContact O-N 3.22Å; T279-L282 VanDerWaalsContact O-CB 3.25Å; T279-L282 WeakPolarHBondContact O-CB 3.44Å; T279-L282 PolarHBondContact O-N 3.05Å; T279-L282 VanDerWaalsContact O-N 3.16Å; T279-F343 HydrophobicContact CG2-CZ 4.33Å; T279-L344 HydrophobicContact CG2-CD2 3.89Å; T279-P484 HydrophobicContact CG2-CG 4.41Å; T279-P484 WeakPolarHBondContact OG1-CG 3.37Å |
| 280 | K | 79.7 | Confident | 86.1 | Confident | 110 Ų | 110 | 22.7 Ų | 22.7 | 48% | 0.478 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -39.8 | -178.1 | -171.3 | 179.7 | -179.3 | 179.7 | 0 | 110.7 | E237 R555 | E237-K280 WeakPolarHBondContact OE1-CA 3.5Å; E237-K280 VanDerWaalsContact OE1-CB 3.3Å; E237-K280 WeakPolarHBondContact OE1-CB 3.35Å; E237-K280 PolarHBondContact OE1-N 3.3Å; K280-R555 PolarHBondContact O-NH1 2.86Å; K280-R555 PolarHBondContact O-NH2 3.06Å |
| 281 | F | 82.5 | Confident | 85.9 | Confident | 28 Ų | 28 | 21.5 Ų | 21.5 | 12% | 0.123 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 15 | 178.1 | -54.2 | -75.3 | 0 | 0 | 0 | 114 | E237 K238 Y241 T279 H283 H284 S285 | E237-F281 HydrophobicContact CG-CD2 3.9Å; E237-F281 HydrophobicContact CG-CE2 4.32Å; E237-F281 VanDerWaalsContact OE1-CD2 3.28Å; E237-F281 WeakPolarHBondContact OE1-CD2 3.46Å; E237-F281 PolarHBondContact OE1-N 2.95Å; K238-F281 HydrophobicContact CG-CE2 3.89Å; K238-F281 HydrophobicContact CG-CZ 4.34Å; Y241-F281 AromaticContact CD1-CD1 3.77Å; Y241-F281 HydrophobicContact CD1-CD1 3.77Å; Y241-F281 AromaticContact CD1-CD2 3.95Å; Y241-F281 HydrophobicContact CD1-CD2 3.95Å; Y241-F281 AromaticContact CD1-CE1 3.82Å; Y241-F281 HydrophobicContact CD1-CE1 3.82Å; Y241-F281 HydrophobicContact CD1-CE2 4Å; Y241-F281 AromaticContact CD1-CG 3.83Å; Y241-F281 HydrophobicContact CD1-CG 3.83Å; Y241-F281 AromaticContact CD1-CZ 3.92Å; Y241-F281 HydrophobicContact CD1-CZ 3.92Å; Y241-F281 HydrophobicContact CD2-CB 3.57Å; Y241-F281 HydrophobicContact CD2-CD1 4.2Å; Y241-F281 HydrophobicContact CD2-CD2 4.17Å; Y241-F281 AromaticContact CD2-CG 3.73Å; Y241-F281 HydrophobicContact CD2-CG 3.73Å; Y241-F281 AromaticContact CE1-CD1 3.51Å; Y241-F281 HydrophobicContact CE1-CD1 3.51Å; Y241-F281 AromaticContact CE1-CE1 3.63Å; Y241-F281 HydrophobicContact CE1-CE1 3.63Å; Y241-F281 AromaticContact CE1-CG 3.99Å; Y241-F281 HydrophobicContact CE1-CG 3.99Å; Y241-F281 HydrophobicContact CE1-CZ 4.2Å; Y241-F281 HydrophobicContact CE2-CB 3.64Å; Y241-F281 AromaticContact CE2-CD1 3.95Å; Y241-F281 HydrophobicContact CE2-CD1 3.95Å; Y241-F281 AromaticContact CE2-CG 3.86Å; Y241-F281 HydrophobicContact CE2-CG 3.86Å; Y241-F281 HydrophobicContact CG-CB 4.05Å; Y241-F281 HydrophobicContact CG-CD1 4.11Å; Y241-F281 AromaticContact CG-CD2 3.75Å; Y241-F281 HydrophobicContact CG-CD2 3.75Å; Y241-F281 HydrophobicContact CG-CE2 4.19Å; Y241-F281 AromaticContact CG-CG 3.69Å; Y241-F281 HydrophobicContact CG-CG 3.69Å; Y241-F281 AromaticContact CZ-CD1 3.61Å; T279-F281 VanDerWaalsContact C-N 3.28Å; T279-F281 PolarHBondContact O-N 3.22Å; F281-H283 VanDerWaalsContact C-N 3.34Å; F281-H283 PolarHBondContact O-N 3.47Å; F281-H284 PolarHBondContact O-N 3.49Å; F281-S285 PolarHBondContact O-N 3.23Å; F281-S285 PolarHBondContact O-OG 3.46Å |
| 282 | L | 84.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -46.2 | -54.6 | -176.5 | 173.1 | 59.5 | 0 | 0 | 0 | 113.1 | L275 T279 H284 S285 L286 P287 L344 I477 | L275-L282 HydrophobicContact CD2-CD1 3.81Å; T279-L282 VanDerWaalsContact O-CB 3.25Å; T279-L282 WeakPolarHBondContact O-CB 3.44Å; T279-L282 PolarHBondContact O-N 3.05Å; T279-L282 VanDerWaalsContact O-N 3.16Å; L282-H284 PolarHBondContact O-N 2.98Å; L282-S285 PolarHBondContact O-N 3.09Å; L282-L286 HydrophobicContact CD1-CB 4.05Å; L282-L286 HydrophobicContact CD1-CD2 4.03Å; L282-L286 PolarHBondContact O-N 2.97Å; L282-L286 VanDerWaalsContact O-N 3.13Å; L282-P287 WeakPolarHBondContact O-CD 3.35Å; L282-L344 HydrophobicContact CD1-CB 4.24Å; L282-L344 HydrophobicContact CD1-CD2 3.74Å; L282-L344 HydrophobicContact CD2-CD2 3.99Å; L282-L344 HydrophobicContact CG-CD2 4.45Å; L282-I477 HydrophobicContact CD2-CD1 3.38Å |
| 283 | H | 80.7 | Confident | 85.8 | Confident | 37 Ų | 37 | 21.9 Ų | 21.9 | 17% | 0.171 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.4 | -9.5 | -175.1 | -56.6 | -76.3 | 0 | 0 | 0 | 114.6 | F281 P287 L548 M753 | F281-H283 VanDerWaalsContact C-N 3.34Å; F281-H283 PolarHBondContact O-N 3.47Å; H283-P287 WeakPolarHBondContact O-CG 3.28Å; H283-L548 HydrophobicContact CB-CD1 3.43Å; H283-L548 VanDerWaalsContact CB-CD1 3.43Å; H283-M753 HydrophobicContact CB-CG 4.4Å; H283-M753 HydrophobicContact CB-SD 3.75Å; H283-M753 WeakPolarHBondContact O-CG 2.99Å |
| 284 | H | 84 | Confident | 85.7 | Confident | 9 Ų | 9 | 19.5 Ų | 19.5 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -105.6 | -51.7 | 171.6 | -177.9 | -82.9 | 0 | 0 | 0 | 111.4 | Y241 F281 L282 L286 R288 S752 M753 | Y241-H284 HydrophobicContact CE2-CB 4.21Å; Y241-H284 AromaticContact CE2-CG 3.97Å; Y241-H284 AromaticContact CE2-ND1 3.35Å; Y241-H284 WeakPolarHBondContact CE2-ND1 3.17Å; Y241-H284 AromaticContact CZ-ND1 3.82Å; Y241-H284 PolarHBondContact OH-ND1 3.45Å; F281-H284 PolarHBondContact O-N 3.49Å; L282-H284 PolarHBondContact O-N 2.98Å; H284-L286 PolarHBondContact O-N 3.28Å; H284-R288 WeakPolarHBondContact O-CB 3.46Å; H284-R288 PolarHBondContact O-N 3.42Å; H284-R288 VanDerWaalsContact O-N 3.16Å; H284-S752 PolarHBondContact CD2-OG 2.84Å; H284-S752 VanDerWaalsContact CD2-OG 3.31Å; H284-S752 PolarHBondContact NE2-OG 3.09Å; H284-M753 HydrophobicContact CB-CB 4.35Å; H284-M753 HydrophobicContact CB-CG 3.9Å; H284-M753 HydrophobicContact CB-SD 4.27Å |
| 285 | S | 87.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | -173.8 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | Y241 S274 F281 L282 L289 | Y241-S285 VanDerWaalsContact CD2-OG 3.3Å; Y241-S285 WeakPolarHBondContact CD2-OG 3.48Å; S274-S285 PolarHBondContact OG-OG 3.4Å; S274-S285 VanDerWaalsContact OG-OG 3.1Å; F281-S285 PolarHBondContact O-N 3.23Å; F281-S285 PolarHBondContact O-OG 3.46Å; L282-S285 PolarHBondContact O-N 3.09Å; S285-L289 WeakPolarHBondContact O-CB 3.33Å; S285-L289 PolarHBondContact O-N 3.42Å |
| 286 | L | 89 | Confident | 85.4 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -74.3 | -51.2 | -173.7 | -178.7 | 63.1 | 0 | 0 | 0 | 112.5 | L275 L282 H284 R288 L289 L290 L344 F345 C348 | L275-L286 HydrophobicContact CD1-CB 3.82Å; L275-L286 HydrophobicContact CD1-CD1 3.94Å; L275-L286 HydrophobicContact CD1-CG 4.42Å; L275-L286 HydrophobicContact CD2-CB 4.34Å; L282-L286 HydrophobicContact CD1-CB 4.05Å; L282-L286 HydrophobicContact CD1-CD2 4.03Å; L282-L286 PolarHBondContact O-N 2.97Å; L282-L286 VanDerWaalsContact O-N 3.13Å; H284-L286 PolarHBondContact O-N 3.28Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.32Å; L286-L289 PolarHBondContact O-N 3.4Å; L286-L290 HydrophobicContact CD1-CD1 4.22Å; L286-L290 HydrophobicContact CD1-CG 4.12Å; L286-L290 HydrophobicContact CG-CD1 4.19Å; L286-L290 HydrophobicContact CG-CG 4.48Å; L286-L290 WeakPolarHBondContact O-CG 3.35Å; L286-L290 PolarHBondContact O-N 3.18Å; L286-L344 HydrophobicContact CD2-CB 4.36Å; L286-L344 WeakPolarHBondContact CD2-O 3.48Å; L286-F345 HydrophobicContact CD1-CD1 4.2Å; L286-F345 HydrophobicContact CD1-CE1 4.08Å; L286-C348 HydrophobicContact CD2-CB 4.27Å; L286-C348 HydrophobicContact CG-CB 4.45Å |
| 287 | P | 86.9 | Confident | 85.5 | Confident | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.039 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.3 | -39.8 | 176 | -28.4 | 36.6 | 0 | 0 | 0 | 113.3 | L282 H283 L290 T291 Q351 S756 | L282-P287 WeakPolarHBondContact O-CD 3.35Å; H283-P287 WeakPolarHBondContact O-CG 3.28Å; P287-L290 PolarHBondContact O-N 3Å; P287-T291 WeakPolarHBondContact O-CB 3.33Å; P287-T291 PolarHBondContact O-N 3.29Å; P287-T291 PolarHBondContact O-OG1 3.01Å; P287-Q351 VanDerWaalsContact CA-OE1 3.31Å; P287-Q351 PolarHBondContact O-NE2 3.05Å; P287-S756 VanDerWaalsContact CB-OG 3.24Å; P287-S756 WeakPolarHBondContact CB-OG 3.45Å |
| 288 | R | 85.7 | Confident | 85.6 | Confident | 33 Ų | 33 | 14.5 Ų | 14.5 | 13% | 0.125 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.4 | -42.2 | 179.1 | -171.4 | 58.1 | 174.6 | 172.2 | 3.7 | 111.9 | D248 Y271 H284 L286 L290 T291 L292 | D248-R288 IonicContact OD1-CZ 3.99Å; D248-R288 IonicContact OD1-NE 3.62Å; D248-R288 IonicContact OD1-NH2 3.09Å; D248-R288 PolarHBondContact OD1-NH2 2.96Å; D248-R288 IonicContact OD2-CZ 2.85Å; D248-R288 IonicContact OD2-NE 3.74Å; D248-R288 PolarHBondContact OD2-NE 3.15Å; D248-R288 IonicContact OD2-NH2 3.56Å; D248-R288 PolarHBondContact OD2-NH2 2.98Å; Y271-R288 HydrophobicContact CE2-CG 3.98Å; H284-R288 WeakPolarHBondContact O-CB 3.46Å; H284-R288 PolarHBondContact O-N 3.42Å; H284-R288 VanDerWaalsContact O-N 3.16Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.32Å; R288-L290 VanDerWaalsContact C-N 3.33Å; R288-L290 PolarHBondContact O-N 2.94Å; R288-T291 PolarHBondContact O-N 3.41Å; R288-L292 HydrophobicContact CG-CD1 4.05Å; R288-L292 HydrophobicContact CG-CG 4.36Å; R288-L292 WeakPolarHBondContact O-CB 3.4Å; R288-L292 VanDerWaalsContact O-CG 3.26Å; R288-L292 WeakPolarHBondContact O-CG 3.31Å; R288-L292 PolarHBondContact O-N 3.5Å |
| 289 | L | 90.9 | Very high | 85.7 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 173.2 | 178.9 | 154.8 | 0 | 0 | 0 | 111.2 | V268 S285 L286 T291 L292 W293 V333 L336 | V268-L289 HydrophobicContact CG1-CD1 4.28Å; V268-L289 HydrophobicContact CG1-CG 4.15Å; V268-L289 WeakPolarHBondContact O-CD1 3.26Å; S285-L289 WeakPolarHBondContact O-CB 3.33Å; S285-L289 PolarHBondContact O-N 3.42Å; L286-L289 PolarHBondContact O-N 3.4Å; L289-T291 VanDerWaalsContact C-N 3.34Å; L289-T291 PolarHBondContact O-N 3.21Å; L289-L292 PolarHBondContact O-N 3.12Å; L289-W293 WeakPolarHBondContact O-CB 3.44Å; L289-W293 PolarHBondContact O-N 3.05Å; L289-V333 HydrophobicContact CD2-CG2 4.48Å; L289-L336 HydrophobicContact CD1-CD1 3.96Å |
| 290 | L | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 179.8 | -68.3 | 177.3 | 0 | 0 | 0 | 111.6 | L286 P287 R288 W293 L294 C348 L352 | L286-L290 HydrophobicContact CD1-CD1 4.22Å; L286-L290 HydrophobicContact CD1-CG 4.12Å; L286-L290 HydrophobicContact CG-CD1 4.19Å; L286-L290 HydrophobicContact CG-CG 4.48Å; L286-L290 WeakPolarHBondContact O-CG 3.35Å; L286-L290 PolarHBondContact O-N 3.18Å; P287-L290 PolarHBondContact O-N 3Å; R288-L290 VanDerWaalsContact C-N 3.33Å; R288-L290 PolarHBondContact O-N 2.94Å; L290-W293 HydrophobicContact CD2-CE3 4.03Å; L290-W293 HydrophobicContact CD2-CZ3 4.24Å; L290-W293 PolarHBondContact O-N 2.97Å; L290-L294 VanDerWaalsContact O-CB 3.31Å; L290-L294 WeakPolarHBondContact O-CB 3.32Å; L290-L294 VanDerWaalsContact O-CG 3.24Å; L290-L294 WeakPolarHBondContact O-CG 3.3Å; L290-L294 PolarHBondContact O-N 2.98Å; L290-C348 HydrophobicContact CD1-CB 3.61Å; L290-L352 HydrophobicContact CD1-CD2 3.66Å; L290-L352 HydrophobicContact CD1-CG 4Å; L290-L352 HydrophobicContact CD2-CD2 3.69Å; L290-L352 HydrophobicContact CG-CD2 4.25Å |
| 291 | T | 85.9 | Confident | 85.8 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 176.9 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | P287 R288 L289 W293 L294 D295 Q351 E759 | P287-T291 WeakPolarHBondContact O-CB 3.33Å; P287-T291 PolarHBondContact O-N 3.29Å; P287-T291 PolarHBondContact O-OG1 3.01Å; R288-T291 PolarHBondContact O-N 3.41Å; L289-T291 VanDerWaalsContact C-N 3.34Å; L289-T291 PolarHBondContact O-N 3.21Å; T291-W293 VanDerWaalsContact C-N 3.3Å; T291-W293 PolarHBondContact O-N 2.95Å; T291-L294 PolarHBondContact O-N 3.31Å; T291-D295 WeakPolarHBondContact CG2-OD2 3.4Å; T291-D295 VanDerWaalsContact O-CB 3.23Å; T291-D295 WeakPolarHBondContact O-CB 3.42Å; T291-D295 PolarHBondContact O-N 3.4Å; T291-Q351 PolarHBondContact OG1-NE2 3.17Å; T291-E759 WeakPolarHBondContact CG2-OE2 3.3Å |
| 292 | L | 86.7 | Confident | 85.4 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 178.9 | -73 | 169.5 | 0 | 0 | 0 | 111.7 | L264 M267 Y271 R288 L289 S296 | L264-L292 HydrophobicContact CD1-CB 4.19Å; L264-L292 HydrophobicContact CD1-CD2 4.41Å; M267-L292 HydrophobicContact CE-CD1 3.71Å; M267-L292 HydrophobicContact CE-CD2 4.09Å; Y271-L292 HydrophobicContact CD2-CD1 4.09Å; Y271-L292 HydrophobicContact CE2-CD1 3.83Å; R288-L292 HydrophobicContact CG-CD1 4.05Å; R288-L292 HydrophobicContact CG-CG 4.36Å; R288-L292 WeakPolarHBondContact O-CB 3.4Å; R288-L292 VanDerWaalsContact O-CG 3.26Å; R288-L292 WeakPolarHBondContact O-CG 3.31Å; R288-L292 PolarHBondContact O-N 3.5Å; L289-L292 PolarHBondContact O-N 3.12Å; L292-S296 WeakPolarHBondContact O-CB 3.18Å; L292-S296 PolarHBondContact O-N 3.34Å; L292-S296 PolarHBondContact O-OG 2.72Å |
| 293 | W | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -53.6 | 177.7 | 169.7 | 48.5 | 0 | 0 | 0 | 112.4 | L289 L290 T291 T297 N330 V333 T363 L366 L367 I370 | L289-W293 WeakPolarHBondContact O-CB 3.44Å; L289-W293 PolarHBondContact O-N 3.05Å; L290-W293 HydrophobicContact CD2-CE3 4.03Å; L290-W293 HydrophobicContact CD2-CZ3 4.24Å; L290-W293 PolarHBondContact O-N 2.97Å; T291-W293 VanDerWaalsContact C-N 3.3Å; T291-W293 PolarHBondContact O-N 2.95Å; W293-T297 WeakPolarHBondContact O-CB 3.44Å; W293-T297 VanDerWaalsContact O-CG2 3.31Å; W293-T297 WeakPolarHBondContact O-CG2 3.26Å; W293-T297 PolarHBondContact O-N 3.37Å; W293-T297 PolarHBondContact O-OG1 2.95Å; W293-N330 PolarHBondContact NE1-OD1 3.04Å; W293-V333 HydrophobicContact CB-CG2 4.3Å; W293-V333 HydrophobicContact CD2-CB 4.4Å; W293-V333 HydrophobicContact CD2-CG1 4.17Å; W293-V333 HydrophobicContact CD2-CG2 3.86Å; W293-V333 HydrophobicContact CE3-CG1 4.08Å; W293-V333 HydrophobicContact CE3-CG2 4.41Å; W293-V333 HydrophobicContact CG-CG2 3.78Å; W293-V333 HydrophobicContact CH2-CG1 4.17Å; W293-V333 HydrophobicContact CZ2-CG1 4.24Å; W293-V333 HydrophobicContact CZ3-CG1 4.08Å; W293-T363 HydrophobicContact CH2-CG2 4.21Å; W293-T363 HydrophobicContact CZ2-CG2 3.46Å; W293-T363 VanDerWaalsContact CZ2-CG2 3.46Å; W293-L366 HydrophobicContact CH2-CD2 4.28Å; W293-L366 HydrophobicContact CH2-CG 4.21Å; W293-L366 HydrophobicContact CZ2-CB 4.3Å; W293-L366 HydrophobicContact CZ2-CD2 3.74Å; W293-L366 HydrophobicContact CZ2-CG 4.09Å; W293-L367 HydrophobicContact CH2-CB 4.34Å; W293-L367 HydrophobicContact CZ3-CD1 4.44Å; W293-I370 HydrophobicContact CH2-CD1 4.23Å; W293-I370 HydrophobicContact CZ3-CD1 4.4Å |
| 294 | L | 88.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | -174.8 | -66 | 170.5 | 0 | 0 | 0 | 111.6 | L290 T291 S296 T297 A298 R355 H358 T363 | L290-L294 VanDerWaalsContact O-CB 3.31Å; L290-L294 WeakPolarHBondContact O-CB 3.32Å; L290-L294 VanDerWaalsContact O-CG 3.24Å; L290-L294 WeakPolarHBondContact O-CG 3.3Å; L290-L294 PolarHBondContact O-N 2.98Å; T291-L294 PolarHBondContact O-N 3.31Å; L294-S296 PolarHBondContact O-N 2.93Å; L294-T297 PolarHBondContact O-OG1 3.15Å; L294-T297 VanDerWaalsContact O-OG1 3.12Å; L294-A298 VanDerWaalsContact O-CB 3.26Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 3.19Å; L294-R355 HydrophobicContact CD1-CB 4.11Å; L294-R355 HydrophobicContact CD1-CG 4.06Å; L294-H358 PolarHBondContact O-NE2 3.42Å; L294-T363 HydrophobicContact CD2-CG2 4.04Å |
| 295 | D | 84.1 | Confident | 80.4 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.3 | -35.7 | -178.4 | -69.9 | -2.9 | 0 | 0 | 0 | 112 | T291 K299 R355 Y763 | T291-D295 WeakPolarHBondContact CG2-OD2 3.4Å; T291-D295 VanDerWaalsContact O-CB 3.23Å; T291-D295 WeakPolarHBondContact O-CB 3.42Å; T291-D295 PolarHBondContact O-N 3.4Å; D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 VanDerWaalsContact O-CG 3.28Å; D295-K299 WeakPolarHBondContact O-CG 3.24Å; D295-K299 PolarHBondContact O-N 2.9Å; D295-R355 IonicContact OD1-CZ 2.85Å; D295-R355 VanDerWaalsContact OD1-CZ 3.25Å; D295-R355 IonicContact OD1-NH1 3.96Å; D295-R355 PolarHBondContact OD1-NH1 3.29Å; D295-R355 IonicContact OD1-NH2 2.79Å; D295-R355 PolarHBondContact OD1-NH2 3.14Å; D295-Y763 PolarHBondContact OD1-OH 3.23Å; D295-Y763 VanDerWaalsContact OD1-OH 3.08Å; D295-Y763 PolarHBondContact OD2-OH 2.62Å |
| 296 | S | 85.2 | Confident | 78 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.3 | -43.7 | 178.6 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | Y260 L264 L292 L294 A298 K299 L300 | Y260-S296 PolarHBondContact OH-OG 3.49Å; Y260-S296 VanDerWaalsContact OH-OG 3.13Å; L264-S296 VanDerWaalsContact CD2-CB 3.41Å; L264-S296 VanDerWaalsContact CD2-OG 3.31Å; L264-S296 WeakPolarHBondContact CD2-OG 3.39Å; L292-S296 WeakPolarHBondContact O-CB 3.18Å; L292-S296 PolarHBondContact O-N 3.34Å; L292-S296 PolarHBondContact O-OG 2.72Å; L294-S296 PolarHBondContact O-N 2.93Å; S296-A298 VanDerWaalsContact C-N 3.32Å; S296-A298 PolarHBondContact O-N 3.26Å; S296-K299 PolarHBondContact O-N 3.09Å; S296-L300 WeakPolarHBondContact O-CB 3.21Å; S296-L300 WeakPolarHBondContact O-CD1 3.28Å; S296-L300 WeakPolarHBondContact O-CG 3.41Å; S296-L300 PolarHBondContact O-N 3.17Å |
| 297 | T | 88.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.5 | -33.3 | 176.8 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | W293 L294 S301 V326 L329 H358 T363 | W293-T297 WeakPolarHBondContact O-CB 3.44Å; W293-T297 VanDerWaalsContact O-CG2 3.31Å; W293-T297 WeakPolarHBondContact O-CG2 3.26Å; W293-T297 PolarHBondContact O-N 3.37Å; W293-T297 PolarHBondContact O-OG1 2.95Å; L294-T297 PolarHBondContact O-OG1 3.15Å; L294-T297 VanDerWaalsContact O-OG1 3.12Å; T297-S301 WeakPolarHBondContact O-CB 3.29Å; T297-S301 PolarHBondContact O-N 3.08Å; T297-V326 HydrophobicContact CG2-CG1 4.35Å; T297-V326 HydrophobicContact CG2-CG2 4.36Å; T297-L329 HydrophobicContact CG2-CD1 4.2Å; T297-H358 PolarHBondContact OG1-CE1 2.88Å; T297-H358 VanDerWaalsContact OG1-CE1 3.24Å; T297-H358 PolarHBondContact OG1-NE2 3.45Å; T297-T363 HydrophobicContact CG2-CG2 4.38Å |
| 298 | A | 85.6 | Confident | 73.2 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 12% | 0.116 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -49.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L294 S296 L300 S301 Q302 H358 P359 | L294-A298 VanDerWaalsContact O-CB 3.26Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 3.19Å; S296-A298 VanDerWaalsContact C-N 3.32Å; S296-A298 PolarHBondContact O-N 3.26Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.14Å; A298-S301 PolarHBondContact O-N 3.47Å; A298-Q302 PolarHBondContact O-N 2.71Å; A298-H358 PolarHBondContact N-CE1 3.31Å; A298-P359 HydrophobicContact CB-CG 3.85Å |
| 299 | K | 82.7 | Confident | 70.9 | Confident | 148 Ų | 148 | 73.4 Ų | 73.4 | 64% | 0.643 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 178.8 | -73.5 | 175.1 | -175.6 | -177.8 | 0 | 112.5 | D295 S296 S301 Q302 | D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 VanDerWaalsContact O-CG 3.28Å; D295-K299 WeakPolarHBondContact O-CG 3.24Å; D295-K299 PolarHBondContact O-N 2.9Å; S296-K299 PolarHBondContact O-N 3.09Å; K299-S301 PolarHBondContact O-N 2.97Å; K299-Q302 PolarHBondContact O-N 3.08Å |
| 300 | L | 83.4 | Confident | 68.2 | Low | 25 Ų | 25 | 81.3 Ų | 81.3 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.7 | -25.5 | 179.1 | -69.1 | 166.4 | 0 | 0 | 0 | 112.9 | S296 A298 K322 L325 V326 | S296-L300 WeakPolarHBondContact O-CB 3.21Å; S296-L300 WeakPolarHBondContact O-CD1 3.28Å; S296-L300 WeakPolarHBondContact O-CG 3.41Å; S296-L300 PolarHBondContact O-N 3.17Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.14Å; L300-K322 HydrophobicContact CD2-CB 4.12Å; L300-K322 HydrophobicContact CD2-CD 4.4Å; L300-K322 HydrophobicContact CD2-CG 3.91Å; L300-L325 HydrophobicContact CD1-CD2 3.78Å; L300-L325 HydrophobicContact CD1-CG 4.2Å; L300-L325 HydrophobicContact CD2-CD2 4.48Å; L300-V326 HydrophobicContact CB-CG2 4.06Å; L300-V326 HydrophobicContact CD1-CG2 3.86Å |
| 301 | S | 78.7 | Confident | 65.5 | Low | 49 Ų | 49 | 93.3 Ų | 93.3 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -86.7 | -19.8 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 113.9 | T297 A298 K299 K303 | T297-S301 WeakPolarHBondContact O-CB 3.29Å; T297-S301 PolarHBondContact O-N 3.08Å; A298-S301 PolarHBondContact O-N 3.47Å; K299-S301 PolarHBondContact O-N 2.97Å; S301-K303 PolarHBondContact O-N 3.23Å |
| 302 | Q | 72.4 | Confident | 63.2 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | trans | -74.3 | 111.5 | 179.1 | -74.8 | 179.5 | -4 | 0 | 0 | 109.9 | A298 K299 Q304 | A298-Q302 PolarHBondContact O-N 2.71Å; K299-Q302 PolarHBondContact O-N 3.08Å; Q302-Q304 PolarHBondContact O-N 3.49Å; Q302-Q304 VanDerWaalsContact O-N 3.09Å | ||
| 303 | K | 55.4 | Low | 61.2 | Low | 204 Ų | 204 | 103.8 Ų | 103.8 | 89% | 0.887 | 52% | 0.522 | S | S | * | . | trans | -67.1 | 105 | 167.1 | -69.5 | -176 | 178.2 | -177.4 | 0 | 107.5 | S301 | S301-K303 PolarHBondContact O-N 3.23Š| ||
| 304 | Q | 48.6 | Very low | 59.1 | Low | 160 Ų | 160 | 109.5 Ų | 109.5 | 75% | 0.748 | 55% | 0.552 | S | S | * | * | trans | -57.9 | 130.5 | 175 | -81.1 | -171.7 | -10.6 | 0 | 0 | 109.3 | Q302 T306 | Q302-Q304 PolarHBondContact O-N 3.49Å; Q302-Q304 VanDerWaalsContact O-N 3.09Å; Q304-T306 PolarHBondContact O-N 3.41Å | ||
| 305 | P | 41.7 | Very low | 57.1 | Low | 108 Ų | 108 | 113.8 Ų | 113.8 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | trans | -65.1 | 129.3 | 168.7 | 26.6 | -30 | 0 | 0 | 0 | 107.8 | R307 | P305-R307 PolarHBondContact O-N 2.92Š| ||
| 306 | T | 37.3 | Very low | 55.7 | Low | 145 Ų | 145 | 119.7 Ų | 119.7 | 89% | 0.89 | 61% | 0.614 | S | S | * | * | trans | -64.3 | 78.2 | 175.3 | 42.2 | 0 | 0 | 0 | 0 | 110.6 | Q304 K308 | Q304-T306 PolarHBondContact O-N 3.41Å; T306-K308 PolarHBondContact O-N 3.48Å | ||
| 307 | R | 39.9 | Very low | 54.5 | Low | 221 Ų | 221 | 122 Ų | 122 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | trans | -77.5 | 108.2 | 163.1 | -86.6 | -173.3 | 168.1 | -176 | -3.3 | 107.9 | P305 G309 | P305-R307 PolarHBondContact O-N 2.92Å; R307-G309 PolarHBondContact O-N 2.88Å | ||
| 308 | K | 35.2 | Very low | 53.7 | Low | 218 Ų | 218 | 123.9 Ų | 123.9 | 95% | 0.948 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 107.3 | 166.3 | -77.6 | 178.5 | 173.2 | 179.1 | 0 | 108.5 | T306 | T306-K308 PolarHBondContact O-N 3.48Š|
| 309 | G | 36.2 | Very low | 53.2 | Low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152 | -30.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118 | R307 | R307-G309 PolarHBondContact O-N 2.88Š|
| 310 | E | 34.7 | Very low | 53 | Low | 170 Ų | 170 | 125.9 Ų | 125.9 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | trans | -113.6 | 102.2 | -176.4 | -78.6 | 173.7 | 158.1 | 0 | 0 | 110.5 | D312 | E310-D312 PolarHBondContact O-N 3.44Š| ||
| 311 | R | 32.7 | Very low | 52.8 | Low | 252 Ų | 252 | 129.1 Ų | 129.1 | 95% | 0.951 | 68% | 0.682 | S | S | * | * | trans | -75.3 | 79.3 | 168.4 | -73.5 | -177.3 | -180 | 175.7 | 0.3 | 108.7 | ||||
| 312 | D | 39.2 | Very low | 53 | Low | 120 Ų | 120 | 129.7 Ų | 129.7 | 64% | 0.642 | 68% | 0.678 | S | S | * | * | trans | -73.2 | 125.1 | 160.9 | -91.9 | -20.4 | 0 | 0 | 0 | 109 | E310 D314 | E310-D312 PolarHBondContact O-N 3.44Å; D312-D314 PolarHBondContact O-N 2.92Å | ||
| 313 | S | 44.7 | Very low | 53.5 | Low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 9.9 | -171.1 | 43.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 314 | D | 46.3 | Very low | 55 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 2.6 | 177.8 | -81.6 | -11.6 | 0 | 0 | 0 | 113.2 | D312 N316 | D312-D314 PolarHBondContact O-N 2.92Å; D314-N316 VanDerWaalsContact C-N 3.3Å; D314-N316 PolarHBondContact O-N 2.99Å; D314-N316 VanDerWaalsContact O-N 3.13Å |
| 315 | S | 47.7 | Very low | 56.8 | Low | 91 Ų | 91 | 119.5 Ų | 119.5 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 28 | -173 | 65.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 316 | N | 53.6 | Low | 59.1 | Low | 149 Ų | 149 | 115 Ų | 115 | 80% | 0.797 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -2.2 | -174.7 | -92.7 | 3.7 | 0 | 0 | 0 | 116.1 | D314 | D314-N316 VanDerWaalsContact C-N 3.3Å; D314-N316 PolarHBondContact O-N 2.99Å; D314-N316 VanDerWaalsContact O-N 3.13Å |
| 317 | M | 61.3 | Low | 61.6 | Low | 55 Ų | 55 | 112.4 Ų | 112.4 | 27% | 0.271 | 59% | 0.588 | S | S | . | * | trans | -94.3 | 119.3 | 177.1 | -78.9 | -78.8 | -74.7 | 0 | 0 | 111 | H261 Q321 K322 | H261-M317 HydrophobicContact CB-CE 4.46Å; M317-Q321 HydrophobicContact CE-CB 3.37Å; M317-Q321 HydrophobicContact SD-CB 3.83Å; M317-Q321 HydrophobicContact SD-CG 4.49Å; M317-Q321 PolarHBondContact SD-OE1 3.17Å; M317-K322 HydrophobicContact CB-CG 4.2Å; M317-K322 VanDerWaalsContact O-CE 3.26Å; M317-K322 WeakPolarHBondContact O-CE 3.21Å | ||
| 318 | G | 69.8 | Low | 64 | Low | 39 Ų | 39 | 106.7 Ų | 106.7 | 40% | 0.402 | 57% | 0.571 | S | S | . | * | trans | -64.9 | 150.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S320 Q321 K322 | G318-S320 PolarHBondContact O-N 3.41Å; G318-S320 VanDerWaalsContact O-N 3.13Å; G318-Q321 WeakPolarHBondContact O-CB 3.34Å; G318-Q321 PolarHBondContact O-N 3.33Å; G318-K322 PolarHBondContact O-N 3.35Å; G318-K322 VanDerWaalsContact O-N 3.08Å | ||
| 319 | D | 75.5 | Confident | 66.7 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.3 | -31.2 | -175.6 | -73.3 | -19.5 | 0 | 0 | 0 | 113.2 | K322 Q323 | D319-K322 PolarHBondContact O-N 3.23Å; D319-K322 IonicContact OD1-NZ 3.67Å; D319-K322 PolarHBondContact OD1-NZ 3.21Å; D319-Q323 PolarHBondContact O-N 3.05Å |
| 320 | S | 78.5 | Confident | 69.4 | Low | 91 Ų | 91 | 93.4 Ų | 93.4 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 172.2 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | G318 K322 Q323 E324 | G318-S320 PolarHBondContact O-N 3.41Å; G318-S320 VanDerWaalsContact O-N 3.13Å; S320-K322 VanDerWaalsContact C-N 3.32Å; S320-K322 PolarHBondContact O-N 3.38Å; S320-Q323 PolarHBondContact O-N 2.8Å; S320-E324 PolarHBondContact O-N 3.4Å |
| 321 | Q | 80.1 | Confident | 72.2 | Confident | 93 Ų | 93 | 93 Ų | 93 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -32.4 | 177.7 | -62.8 | 175.5 | -33.2 | 0 | 0 | 111.7 | M317 G318 L325 | M317-Q321 HydrophobicContact CE-CB 3.37Å; M317-Q321 HydrophobicContact SD-CB 3.83Å; M317-Q321 HydrophobicContact SD-CG 4.49Å; M317-Q321 PolarHBondContact SD-OE1 3.17Å; G318-Q321 WeakPolarHBondContact O-CB 3.34Å; G318-Q321 PolarHBondContact O-N 3.33Å; Q321-L325 WeakPolarHBondContact O-CB 3.25Å; Q321-L325 PolarHBondContact O-N 3.18Å |
| 322 | K | 81.5 | Confident | 75 | Confident | 61 Ų | 61 | 82.4 Ų | 82.4 | 27% | 0.265 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 172.9 | -63.3 | 179.6 | -170.6 | 153.7 | 0 | 111.1 | L300 M317 G318 D319 S320 L325 V326 | L300-K322 HydrophobicContact CD2-CB 4.12Å; L300-K322 HydrophobicContact CD2-CD 4.4Å; L300-K322 HydrophobicContact CD2-CG 3.91Å; M317-K322 HydrophobicContact CB-CG 4.2Å; M317-K322 VanDerWaalsContact O-CE 3.26Å; M317-K322 WeakPolarHBondContact O-CE 3.21Å; G318-K322 PolarHBondContact O-N 3.35Å; G318-K322 VanDerWaalsContact O-N 3.08Å; D319-K322 PolarHBondContact O-N 3.23Å; D319-K322 IonicContact OD1-NZ 3.67Å; D319-K322 PolarHBondContact OD1-NZ 3.21Å; S320-K322 VanDerWaalsContact C-N 3.32Å; S320-K322 PolarHBondContact O-N 3.38Å; K322-L325 PolarHBondContact O-N 2.83Å; K322-V326 WeakPolarHBondContact O-CG2 3.49Å; K322-V326 PolarHBondContact O-N 2.96Å |
| 323 | Q | 84.3 | Confident | 77.5 | Confident | 141 Ų | 141 | 76.8 Ų | 76.8 | 66% | 0.659 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 177 | -86.9 | 178.7 | -28.4 | 0 | 0 | 112.5 | D319 S320 V326 T327 | D319-Q323 PolarHBondContact O-N 3.05Å; S320-Q323 PolarHBondContact O-N 2.8Å; Q323-V326 PolarHBondContact O-N 3.4Å; Q323-T327 WeakPolarHBondContact O-CB 3.39Å; Q323-T327 PolarHBondContact O-N 2.88Å; Q323-T327 PolarHBondContact O-OG1 3.05Å |
| 324 | E | 86.6 | Confident | 79.8 | Confident | 128 Ų | 128 | 74.8 Ų | 74.8 | 60% | 0.598 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 175.1 | -172 | 178.7 | -174.3 | 0 | 0 | 111.2 | S320 V326 T327 Q328 | S320-E324 PolarHBondContact O-N 3.4Å; E324-V326 PolarHBondContact O-N 3.19Å; E324-T327 WeakPolarHBondContact O-CB 3.4Å; E324-T327 PolarHBondContact O-N 3Å; E324-Q328 WeakPolarHBondContact O-CB 3.41Å; E324-Q328 PolarHBondContact O-N 3.32Å |
| 325 | L | 86.9 | Confident | 82 | Confident | 9 Ų | 9 | 75 Ų | 75 | 5% | 0.047 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.6 | -176.2 | 63 | 0 | 0 | 0 | 112.2 | H261 P265 L300 Q321 K322 T327 Q328 L329 | H261-L325 HydrophobicContact CB-CD2 3.82Å; H261-L325 WeakPolarHBondContact ND1-CD2 3.44Å; H261-L325 WeakPolarHBondContact O-CD1 3.47Å; P265-L325 HydrophobicContact CG-CD1 3.62Å; L300-L325 HydrophobicContact CD1-CD2 3.78Å; L300-L325 HydrophobicContact CD1-CG 4.2Å; L300-L325 HydrophobicContact CD2-CD2 4.48Å; Q321-L325 WeakPolarHBondContact O-CB 3.25Å; Q321-L325 PolarHBondContact O-N 3.18Å; K322-L325 PolarHBondContact O-N 2.83Å; L325-T327 VanDerWaalsContact C-N 3.29Å; L325-T327 PolarHBondContact O-N 3.41Å; L325-Q328 PolarHBondContact O-N 2.98Å; L325-L329 HydrophobicContact CD1-CG 4.47Å; L325-L329 HydrophobicContact CG-CD1 4.2Å; L325-L329 VanDerWaalsContact O-CG 3.27Å; L325-L329 WeakPolarHBondContact O-CG 3.32Å; L325-L329 PolarHBondContact O-N 3.25Å |
| 326 | V | 88.4 | Confident | 84.1 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | T297 L300 K322 Q323 E324 L329 N330 | T297-V326 HydrophobicContact CG2-CG1 4.35Å; T297-V326 HydrophobicContact CG2-CG2 4.36Å; L300-V326 HydrophobicContact CB-CG2 4.06Å; L300-V326 HydrophobicContact CD1-CG2 3.86Å; K322-V326 WeakPolarHBondContact O-CG2 3.49Å; K322-V326 PolarHBondContact O-N 2.96Å; Q323-V326 PolarHBondContact O-N 3.4Å; E324-V326 PolarHBondContact O-N 3.19Å; V326-L329 PolarHBondContact O-N 3.38Å; V326-N330 WeakPolarHBondContact O-CB 3.3Å; V326-N330 VanDerWaalsContact O-CG 3.29Å; V326-N330 PolarHBondContact O-N 3.47Å |
| 327 | T | 90.9 | Very high | 85.8 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 179.2 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | Q323 E324 L325 N330 K331 | Q323-T327 WeakPolarHBondContact O-CB 3.39Å; Q323-T327 PolarHBondContact O-N 2.88Å; Q323-T327 PolarHBondContact O-OG1 3.05Å; E324-T327 WeakPolarHBondContact O-CB 3.4Å; E324-T327 PolarHBondContact O-N 3Å; L325-T327 VanDerWaalsContact C-N 3.29Å; L325-T327 PolarHBondContact O-N 3.41Å; T327-N330 PolarHBondContact O-N 2.78Å; T327-K331 VanDerWaalsContact O-CB 3.29Å; T327-K331 WeakPolarHBondContact O-CB 3.24Å; T327-K331 PolarHBondContact O-N 3.46Å |
| 328 | Q | 90.8 | Very high | 87.1 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.4 | -169.3 | -178.5 | 17.9 | 0 | 0 | 112.2 | P265 E324 L325 S332 | P265-Q328 HydrophobicContact CB-CG 4.42Å; E324-Q328 WeakPolarHBondContact O-CB 3.41Å; E324-Q328 PolarHBondContact O-N 3.32Å; L325-Q328 PolarHBondContact O-N 2.98Å; Q328-S332 WeakPolarHBondContact O-CB 3.15Å; Q328-S332 PolarHBondContact O-N 2.83Å; Q328-S332 PolarHBondContact O-OG 3.08Å |
| 329 | L | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 176.7 | -69.6 | 170.9 | 0 | 0 | 0 | 111.3 | L264 P265 V268 T297 L325 V326 K331 S332 V333 | L264-L329 HydrophobicContact CD2-CD1 3.73Å; L264-L329 HydrophobicContact CD2-CD2 4.22Å; L264-L329 HydrophobicContact CG-CD1 4.43Å; L264-L329 HydrophobicContact CG-CD2 4.02Å; P265-L329 HydrophobicContact CB-CD2 4.42Å; P265-L329 HydrophobicContact CG-CD2 4.28Å; V268-L329 HydrophobicContact CG2-CD2 4.04Å; T297-L329 HydrophobicContact CG2-CD1 4.2Å; L325-L329 HydrophobicContact CD1-CG 4.47Å; L325-L329 HydrophobicContact CG-CD1 4.2Å; L325-L329 VanDerWaalsContact O-CG 3.27Å; L325-L329 WeakPolarHBondContact O-CG 3.32Å; L325-L329 PolarHBondContact O-N 3.25Å; V326-L329 PolarHBondContact O-N 3.38Å; L329-K331 VanDerWaalsContact C-N 3.32Å; L329-K331 PolarHBondContact O-N 3.09Å; L329-S332 WeakPolarHBondContact O-CB 3.41Å; L329-S332 PolarHBondContact O-N 3.15Å; L329-S332 VanDerWaalsContact O-N 3.11Å; L329-V333 WeakPolarHBondContact O-CG2 3.37Å; L329-V333 PolarHBondContact O-N 3.41Å |
| 330 | N | 92.5 | Very high | 88.6 | Confident | 16 Ų | 16 | 64 Ų | 64 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 178.8 | -72.9 | -10.6 | 0 | 0 | 0 | 111.5 | W293 V326 T327 S332 V333 L334 S362 T363 L366 | W293-N330 PolarHBondContact NE1-OD1 3.04Å; V326-N330 WeakPolarHBondContact O-CB 3.3Å; V326-N330 VanDerWaalsContact O-CG 3.29Å; V326-N330 PolarHBondContact O-N 3.47Å; T327-N330 PolarHBondContact O-N 2.78Å; N330-S332 VanDerWaalsContact C-N 3.32Å; N330-S332 PolarHBondContact O-N 3.18Å; N330-V333 PolarHBondContact O-N 3.29Å; N330-L334 VanDerWaalsContact O-CB 3.24Å; N330-L334 WeakPolarHBondContact O-CB 3.29Å; N330-L334 PolarHBondContact O-N 3.08Å; N330-S362 PolarHBondContact ND2-OG 3.15Å; N330-T363 PolarHBondContact ND2-OG1 3.41Å; N330-T363 PolarHBondContact OD1-OG1 3.29Å; N330-L366 HydrophobicContact CB-CD2 4.05Å; N330-L366 VanDerWaalsContact O-CD2 3.3Å; N330-L366 WeakPolarHBondContact O-CD2 3.1Å |
| 331 | K | 93.2 | Very high | 89 | Confident | 160 Ų | 160 | 61.6 Ų | 61.6 | 70% | 0.696 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.4 | -39.9 | 174.2 | -172.5 | 176.3 | -176.9 | 176.4 | 0 | 112.2 | T327 L329 K335 | T327-K331 VanDerWaalsContact O-CB 3.29Å; T327-K331 WeakPolarHBondContact O-CB 3.24Å; T327-K331 PolarHBondContact O-N 3.46Å; L329-K331 VanDerWaalsContact C-N 3.32Å; L329-K331 PolarHBondContact O-N 3.09Å; K331-K335 WeakPolarHBondContact O-CB 3.22Å; K331-K335 PolarHBondContact O-N 3.35Å |
| 332 | S | 91.4 | Very high | 89.4 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66 | -46 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | Q328 L329 N330 K335 L336 | Q328-S332 WeakPolarHBondContact O-CB 3.15Å; Q328-S332 PolarHBondContact O-N 2.83Å; Q328-S332 PolarHBondContact O-OG 3.08Å; L329-S332 WeakPolarHBondContact O-CB 3.41Å; L329-S332 PolarHBondContact O-N 3.15Å; L329-S332 VanDerWaalsContact O-N 3.11Å; N330-S332 VanDerWaalsContact C-N 3.32Å; N330-S332 PolarHBondContact O-N 3.18Å; S332-K335 PolarHBondContact O-N 3.29Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.38Å; S332-L336 PolarHBondContact O-N 2.92Å |
| 333 | V | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 179 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | V268 L289 W293 L329 N330 L336 S337 L366 I370 | V268-V333 HydrophobicContact CG1-CG2 3.98Å; L289-V333 HydrophobicContact CD2-CG2 4.48Å; W293-V333 HydrophobicContact CB-CG2 4.3Å; W293-V333 HydrophobicContact CD2-CB 4.4Å; W293-V333 HydrophobicContact CD2-CG1 4.17Å; W293-V333 HydrophobicContact CD2-CG2 3.86Å; W293-V333 HydrophobicContact CE3-CG1 4.08Å; W293-V333 HydrophobicContact CE3-CG2 4.41Å; W293-V333 HydrophobicContact CG-CG2 3.78Å; W293-V333 HydrophobicContact CH2-CG1 4.17Å; W293-V333 HydrophobicContact CZ2-CG1 4.24Å; W293-V333 HydrophobicContact CZ3-CG1 4.08Å; L329-V333 WeakPolarHBondContact O-CG2 3.37Å; L329-V333 PolarHBondContact O-N 3.41Å; N330-V333 PolarHBondContact O-N 3.29Å; V333-L336 PolarHBondContact O-N 3.45Å; V333-S337 PolarHBondContact O-N 3.26Å; V333-L366 HydrophobicContact CB-CD2 4.15Å; V333-L366 HydrophobicContact CG1-CD2 4.16Å; V333-I370 HydrophobicContact CG1-CD1 3.92Å |
| 334 | L | 92.9 | Very high | 89.8 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 174.4 | 177.8 | 62.9 | 0 | 0 | 0 | 111.2 | N330 L336 S337 D338 L366 | N330-L334 VanDerWaalsContact O-CB 3.24Å; N330-L334 WeakPolarHBondContact O-CB 3.29Å; N330-L334 PolarHBondContact O-N 3.08Å; L334-L336 VanDerWaalsContact C-N 3.28Å; L334-L336 PolarHBondContact O-N 3.37Å; L334-S337 PolarHBondContact O-N 2.97Å; L334-S337 VanDerWaalsContact O-N 3.1Å; L334-S337 PolarHBondContact O-OG 2.89Å; L334-D338 PolarHBondContact O-N 3.28Å; L334-L366 HydrophobicContact CB-CD1 3.94Å; L334-L366 HydrophobicContact CB-CD2 4.24Å; L334-L366 HydrophobicContact CD1-CD1 3.64Å; L334-L366 HydrophobicContact CG-CD1 4.33Å |
| 335 | K | 92.9 | Very high | 90 | Very high | 125 Ų | 125 | 44.8 Ų | 44.8 | 54% | 0.543 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.4 | -42 | 175.6 | -173.9 | 175.7 | -177.9 | 173.2 | 0 | 111.8 | K331 S332 S337 D338 D339 | K331-K335 WeakPolarHBondContact O-CB 3.22Å; K331-K335 PolarHBondContact O-N 3.35Å; S332-K335 PolarHBondContact O-N 3.29Å; K335-S337 VanDerWaalsContact C-N 3.33Å; K335-S337 PolarHBondContact O-N 3.21Å; K335-D338 PolarHBondContact O-N 2.85Å; K335-D339 WeakPolarHBondContact O-CB 3.29Å; K335-D339 VanDerWaalsContact O-CG 3.31Å; K335-D339 PolarHBondContact O-N 3.41Å |
| 336 | L | 90.6 | Very high | 90 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 176.3 | -69.7 | 169.5 | 0 | 0 | 0 | 112.5 | V268 L289 S332 V333 L334 D338 L340 | V268-L336 HydrophobicContact CG1-CD1 4.48Å; L289-L336 HydrophobicContact CD1-CD1 3.96Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.38Å; S332-L336 PolarHBondContact O-N 2.92Å; V333-L336 PolarHBondContact O-N 3.45Å; L334-L336 VanDerWaalsContact C-N 3.28Å; L334-L336 PolarHBondContact O-N 3.37Å; L336-D338 VanDerWaalsContact C-N 3.3Å; L336-L340 HydrophobicContact CB-CD1 4.25Å; L336-L340 HydrophobicContact CD2-CD1 4.49Å; L336-L340 WeakPolarHBondContact O-CB 3.41Å; L336-L340 WeakPolarHBondContact O-CG 3.5Å; L336-L340 PolarHBondContact O-N 2.95Å |
| 337 | S | 90 | Very high | 89.9 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.7 | -21.2 | 178.1 | 73 | 0 | 0 | 0 | 0 | 113.4 | V333 L334 K335 R373 | V333-S337 PolarHBondContact O-N 3.26Å; L334-S337 PolarHBondContact O-N 2.97Å; L334-S337 VanDerWaalsContact O-N 3.1Å; L334-S337 PolarHBondContact O-OG 2.89Å; K335-S337 VanDerWaalsContact C-N 3.33Å; K335-S337 PolarHBondContact O-N 3.21Å; S337-R373 VanDerWaalsContact C-NH1 3.28Å; S337-R373 PolarHBondContact O-NH1 3.28Å; S337-R373 PolarHBondContact OG-NH1 2.96Å |
| 338 | D | 89.5 | Confident | 89.7 | Confident | 93 Ų | 93 | 43 Ų | 43 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -79.6 | -43.7 | 170.3 | -63.5 | -26.7 | 0 | 0 | 0 | 111.5 | L334 K335 L336 R373 | L334-D338 PolarHBondContact O-N 3.28Å; K335-D338 PolarHBondContact O-N 2.85Å; L336-D338 VanDerWaalsContact C-N 3.3Å; D338-R373 IonicContact OD1-CZ 3.55Å; D338-R373 IonicContact OD1-NH1 3.25Å; D338-R373 PolarHBondContact OD1-NH1 3.28Å; D338-R373 IonicContact OD1-NH2 3.58Å; D338-R373 PolarHBondContact OD1-NH2 3.22Å |
| 339 | D | 88.8 | Confident | 89.7 | Confident | 93 Ų | 93 | 38.2 Ų | 38.2 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -77.4 | -30.2 | -175 | -70.7 | -14.2 | 0 | 0 | 0 | 113.3 | K335 | K335-D339 WeakPolarHBondContact O-CB 3.29Å; K335-D339 VanDerWaalsContact O-CG 3.31Å; K335-D339 PolarHBondContact O-N 3.41Å |
| 340 | L | 87.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -92.4 | 145.2 | -171.8 | -67.9 | 175.1 | 0 | 0 | 0 | 113.2 | L275 L336 L344 F345 | L275-L340 HydrophobicContact CB-CD1 4.08Å; L275-L340 HydrophobicContact CB-CD2 4.03Å; L275-L340 HydrophobicContact CD1-CD1 4.32Å; L336-L340 HydrophobicContact CB-CD1 4.25Å; L336-L340 HydrophobicContact CD2-CD1 4.49Å; L336-L340 WeakPolarHBondContact O-CB 3.41Å; L336-L340 WeakPolarHBondContact O-CG 3.5Å; L336-L340 PolarHBondContact O-N 2.95Å; L340-L344 HydrophobicContact CB-CD1 4.28Å; L340-L344 HydrophobicContact CD2-CD1 4.18Å; L340-F345 HydrophobicContact CB-CE2 3.9Å; L340-F345 HydrophobicContact CB-CZ 4.41Å; L340-F345 HydrophobicContact CD1-CE2 4.43Å; L340-F345 HydrophobicContact CD1-CZ 4.16Å |
| 341 | P | 87 | Confident | 89 | Confident | 41 Ų | 41 | 38.5 Ų | 38.5 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | trans | -58.8 | 137.8 | 172.8 | -23.4 | 32 | 0 | 0 | 0 | 113.5 | F343 L344 P486 | P341-F343 VanDerWaalsContact C-N 3.29Å; P341-F343 HydrophobicContact CB-CD1 3.48Å; P341-F343 VanDerWaalsContact CB-CD1 3.48Å; P341-F343 HydrophobicContact CB-CE1 3.38Å; P341-F343 HydrophobicContact CB-CZ 4.47Å; P341-F343 HydrophobicContact CG-CE1 3.97Å; P341-F343 PolarHBondContact O-N 3.01Å; P341-L344 HydrophobicContact CB-CG 4.49Å; P341-L344 HydrophobicContact CG-CD1 4.45Å; P341-L344 WeakPolarHBondContact O-CB 3.36Å; P341-L344 PolarHBondContact O-N 3.37Å; P341-L344 VanDerWaalsContact O-N 3.12Å; P341-P486 HydrophobicContact CB-CB 4.47Å; P341-P486 HydrophobicContact CG-CB 3.93Å; P341-P486 HydrophobicContact CG-CG 3.7Å | ||
| 342 | V | 88.7 | Confident | 88.8 | Confident | 45 Ų | 45 | 30.9 Ų | 30.9 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60 | -34 | -175.5 | -176.7 | 0 | 0 | 0 | 0 | 113.2 | L344 F345 Y346 I374 A377 Y378 | V342-L344 PolarHBondContact O-N 3.11Å; V342-L344 VanDerWaalsContact O-N 3.16Å; V342-F345 PolarHBondContact O-N 2.93Å; V342-F345 VanDerWaalsContact O-N 3.09Å; V342-Y346 PolarHBondContact O-N 3.25Å; V342-I374 HydrophobicContact CG1-CB 4.22Å; V342-I374 HydrophobicContact CG1-CG1 3.96Å; V342-A377 HydrophobicContact CB-CB 4.27Å; V342-A377 HydrophobicContact CG1-CB 3.81Å; V342-Y378 HydrophobicContact CB-CE2 4.45Å; V342-Y378 HydrophobicContact CG1-CE2 4.2Å |
| 343 | F | 85.5 | Confident | 88.7 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -25.4 | 179.7 | 81.6 | -92.8 | 0 | 0 | 0 | 113.3 | T279 P341 Y346 S347 Y378 P486 V489 | T279-F343 HydrophobicContact CG2-CZ 4.33Å; P341-F343 VanDerWaalsContact C-N 3.29Å; P341-F343 HydrophobicContact CB-CD1 3.48Å; P341-F343 VanDerWaalsContact CB-CD1 3.48Å; P341-F343 HydrophobicContact CB-CE1 3.38Å; P341-F343 HydrophobicContact CB-CZ 4.47Å; P341-F343 HydrophobicContact CG-CE1 3.97Å; P341-F343 PolarHBondContact O-N 3.01Å; F343-Y346 WeakPolarHBondContact O-CB 3.35Å; F343-Y346 PolarHBondContact O-N 3.11Å; F343-S347 PolarHBondContact O-N 2.98Å; F343-Y378 HydrophobicContact CB-CE2 4.2Å; F343-P486 HydrophobicContact CE1-CB 4.11Å; F343-V489 HydrophobicContact CD2-CG1 4.3Å; F343-V489 HydrophobicContact CD2-CG2 4.31Å; F343-V489 HydrophobicContact CE1-CG2 4.33Å; F343-V489 HydrophobicContact CE2-CG2 3.74Å; F343-V489 HydrophobicContact CZ-CG2 3.76Å |
| 344 | L | 88.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 176.1 | -61.1 | 177 | 0 | 0 | 0 | 109.6 | L275 T279 L282 L286 L340 P341 V342 Y346 S347 | L275-L344 HydrophobicContact CB-CD1 4.49Å; T279-L344 HydrophobicContact CG2-CD2 3.89Å; L282-L344 HydrophobicContact CD1-CB 4.24Å; L282-L344 HydrophobicContact CD1-CD2 3.74Å; L282-L344 HydrophobicContact CD2-CD2 3.99Å; L282-L344 HydrophobicContact CG-CD2 4.45Å; L286-L344 HydrophobicContact CD2-CB 4.36Å; L286-L344 WeakPolarHBondContact CD2-O 3.48Å; L340-L344 HydrophobicContact CB-CD1 4.28Å; L340-L344 HydrophobicContact CD2-CD1 4.18Å; P341-L344 HydrophobicContact CB-CG 4.49Å; P341-L344 HydrophobicContact CG-CD1 4.45Å; P341-L344 WeakPolarHBondContact O-CB 3.36Å; P341-L344 PolarHBondContact O-N 3.37Å; P341-L344 VanDerWaalsContact O-N 3.12Å; V342-L344 PolarHBondContact O-N 3.11Å; V342-L344 VanDerWaalsContact O-N 3.16Å; L344-Y346 VanDerWaalsContact C-N 3.29Å; L344-Y346 PolarHBondContact O-N 2.77Å; L344-S347 WeakPolarHBondContact O-CB 3.42Å; L344-S347 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-OG 3.37Å |
| 345 | F | 89.9 | Confident | 88.1 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.035 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.1 | -29.6 | 177.1 | -63.5 | -80 | 0 | 0 | 0 | 112.8 | L286 L340 V342 S347 C348 F349 L352 I370 I374 | L286-F345 HydrophobicContact CD1-CD1 4.2Å; L286-F345 HydrophobicContact CD1-CE1 4.08Å; L340-F345 HydrophobicContact CB-CE2 3.9Å; L340-F345 HydrophobicContact CB-CZ 4.41Å; L340-F345 HydrophobicContact CD1-CE2 4.43Å; L340-F345 HydrophobicContact CD1-CZ 4.16Å; V342-F345 PolarHBondContact O-N 2.93Å; V342-F345 VanDerWaalsContact O-N 3.09Å; F345-S347 VanDerWaalsContact C-N 3.25Å; F345-S347 PolarHBondContact O-N 3.49Å; F345-C348 CarbonylContact O-C 3.59Å; F345-C348 PolarHBondContact O-N 2.77Å; F345-C348 VanDerWaalsContact O-N 3.08Å; F345-F349 PolarHBondContact O-N 2.84Å; F345-F349 VanDerWaalsContact O-N 3.14Å; F345-L352 HydrophobicContact CB-CD1 4.38Å; F345-I370 HydrophobicContact CB-CG2 4.42Å; F345-I370 HydrophobicContact CD1-CG2 4.02Å; F345-I370 HydrophobicContact CG-CG2 4.2Å; F345-I374 HydrophobicContact CB-CD1 3.59Å; F345-I374 HydrophobicContact CB-CG1 3.96Å |
| 346 | Y | 88.6 | Confident | 87.9 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.5 | -37.9 | 172.4 | -179.9 | -91.5 | 0 | 0 | 0 | 112.4 | V342 F343 L344 C348 F349 I374 Q381 M473 F475 | V342-Y346 PolarHBondContact O-N 3.25Å; F343-Y346 WeakPolarHBondContact O-CB 3.35Å; F343-Y346 PolarHBondContact O-N 3.11Å; L344-Y346 VanDerWaalsContact C-N 3.29Å; L344-Y346 PolarHBondContact O-N 2.77Å; Y346-C348 PolarHBondContact O-N 3.44Å; Y346-F349 VanDerWaalsContact O-CB 3.22Å; Y346-F349 WeakPolarHBondContact O-CB 3.46Å; Y346-F349 PolarHBondContact O-N 2.91Å; Y346-I374 HydrophobicContact CD2-CG2 3.84Å; Y346-I374 HydrophobicContact CG-CG2 4.47Å; Y346-Q381 HydrophobicContact CE2-CB 3.78Å; Y346-M473 WeakPolarHBondContact CE1-O 3.48Å; Y346-M473 PolarHBondContact OH-O 3.5Å; Y346-F475 AromaticContact CD1-CD2 3.29Å; Y346-F475 HydrophobicContact CD1-CD2 3.29Å; Y346-F475 AromaticContact CD1-CE2 3.26Å; Y346-F475 HydrophobicContact CD1-CE2 3.26Å; Y346-F475 HydrophobicContact CD2-CE2 4.28Å; Y346-F475 AromaticContact CE1-CD2 3.44Å; Y346-F475 HydrophobicContact CE1-CD2 3.44Å; Y346-F475 VanDerWaalsContact CE1-CD2 3.44Å; Y346-F475 AromaticContact CE1-CE2 3.44Å; Y346-F475 HydrophobicContact CE1-CE2 3.44Å; Y346-F475 VanDerWaalsContact CE1-CE2 3.44Å; Y346-F475 HydrophobicContact CE2-CE2 4.43Å; Y346-F475 HydrophobicContact CG-CD2 4.17Å; Y346-F475 AromaticContact CG-CE2 3.72Å; Y346-F475 HydrophobicContact CG-CE2 3.72Å |
| 347 | S | 84.8 | Confident | 87.7 | Confident | 47 Ų | 47 | 24 Ų | 24 | 33% | 0.329 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.7 | 177.7 | 74.9 | 0 | 0 | 0 | 0 | 114 | F343 L344 F345 | F343-S347 PolarHBondContact O-N 2.98Å; L344-S347 WeakPolarHBondContact O-CB 3.42Å; L344-S347 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-OG 3.37Å; F345-S347 VanDerWaalsContact C-N 3.25Å; F345-S347 PolarHBondContact O-N 3.49Å |
| 348 | C | 87.3 | Confident | 87.5 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 18.1 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | L286 L290 F345 Y346 S350 Q351 L352 | L286-C348 HydrophobicContact CD2-CB 4.27Å; L286-C348 HydrophobicContact CG-CB 4.45Å; L290-C348 HydrophobicContact CD1-CB 3.61Å; F345-C348 CarbonylContact O-C 3.59Å; F345-C348 PolarHBondContact O-N 2.77Å; F345-C348 VanDerWaalsContact O-N 3.08Å; Y346-C348 PolarHBondContact O-N 3.44Å; C348-S350 PolarHBondContact O-N 2.91Å; C348-S350 VanDerWaalsContact O-N 3.15Å; C348-Q351 HydrophobicContact CB-CB 4.41Å; C348-Q351 WeakPolarHBondContact O-CB 3.47Å; C348-Q351 PolarHBondContact O-N 3.38Å; C348-L352 WeakPolarHBondContact O-CG 3.33Å; C348-L352 PolarHBondContact O-N 2.89Å |
| 349 | F | 89.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -52.3 | -42.9 | -177.7 | -175.6 | -83.7 | 0 | 0 | 0 | 111.2 | F345 Y346 Q351 L352 I353 L371 I374 V375 M385 S386 | F345-F349 PolarHBondContact O-N 2.84Å; F345-F349 VanDerWaalsContact O-N 3.14Å; Y346-F349 VanDerWaalsContact O-CB 3.22Å; Y346-F349 WeakPolarHBondContact O-CB 3.46Å; Y346-F349 PolarHBondContact O-N 2.91Å; F349-Q351 PolarHBondContact O-N 3.07Å; F349-L352 PolarHBondContact O-N 2.94Å; F349-I353 HydrophobicContact CD1-CB 4.26Å; F349-I353 HydrophobicContact CD1-CG2 4.16Å; F349-I353 HydrophobicContact CE1-CB 3.87Å; F349-I353 HydrophobicContact CE1-CD1 4.32Å; F349-I353 HydrophobicContact CE1-CG1 4.1Å; F349-I353 HydrophobicContact CE1-CG2 4.05Å; F349-I353 HydrophobicContact CZ-CD1 4.26Å; F349-I353 WeakPolarHBondContact O-CB 3.42Å; F349-I353 WeakPolarHBondContact O-CG2 3.3Å; F349-I353 PolarHBondContact O-N 2.93Å; F349-L371 HydrophobicContact CD2-CD2 4Å; F349-L371 HydrophobicContact CE2-CD2 3.75Å; F349-L371 HydrophobicContact CZ-CD2 4.1Å; F349-I374 HydrophobicContact CD2-CB 4.31Å; F349-I374 HydrophobicContact CD2-CD1 4.1Å; F349-I374 HydrophobicContact CD2-CG2 3.8Å; F349-I374 HydrophobicContact CE2-CB 4.46Å; F349-I374 HydrophobicContact CE2-CG2 4.22Å; F349-V375 HydrophobicContact CE2-CG2 4.11Å; F349-V375 HydrophobicContact CZ-CG2 4.41Å; F349-M385 HydrophobicContact CD1-CB 3.47Å; F349-M385 VanDerWaalsContact CD1-CB 3.47Å; F349-M385 HydrophobicContact CD1-CE 4.2Å; F349-M385 HydrophobicContact CD1-CG 4.12Å; F349-M385 HydrophobicContact CE1-CB 3.24Å; F349-M385 HydrophobicContact CE1-CG 4.32Å; F349-M385 HydrophobicContact CG-CB 4.44Å; F349-M385 HydrophobicContact CZ-CB 4.06Å; F349-S386 WeakPolarHBondContact CZ-OG 3.38Å |
| 350 | S | 84.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 20 Ų | 20 | 8% | 0.077 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | -179 | 74 | 0 | 0 | 0 | 0 | 111.2 | C348 I353 S354 R541 E544 | C348-S350 PolarHBondContact O-N 2.91Å; C348-S350 VanDerWaalsContact O-N 3.15Å; S350-I353 WeakPolarHBondContact O-CG2 3.27Å; S350-S354 PolarHBondContact O-N 3.36Å; S350-R541 VanDerWaalsContact C-NH2 3.31Å; S350-R541 VanDerWaalsContact CB-CZ 3.4Å; S350-R541 PolarHBondContact O-NH1 3.03Å; S350-R541 PolarHBondContact O-NH2 2.77Å; S350-R541 PolarHBondContact OG-NH1 3.48Å; S350-E544 WeakPolarHBondContact CB-OE1 3.49Å; S350-E544 VanDerWaalsContact CB-OE2 3.25Å; S350-E544 WeakPolarHBondContact CB-OE2 3.23Å; S350-E544 VanDerWaalsContact OG-CD 3.24Å; S350-E544 PolarHBondContact OG-OE1 2.97Å; S350-E544 PolarHBondContact OG-OE2 3.23Å |
| 351 | Q | 84.7 | Confident | 87.5 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.7 | -37.3 | 173.9 | 179.9 | 166.4 | 29.4 | 0 | 0 | 112.7 | P287 T291 C348 F349 S354 T760 | P287-Q351 VanDerWaalsContact CA-OE1 3.31Å; P287-Q351 PolarHBondContact O-NE2 3.05Å; T291-Q351 PolarHBondContact OG1-NE2 3.17Å; C348-Q351 HydrophobicContact CB-CB 4.41Å; C348-Q351 WeakPolarHBondContact O-CB 3.47Å; C348-Q351 PolarHBondContact O-N 3.38Å; F349-Q351 PolarHBondContact O-N 3.07Å; Q351-S354 PolarHBondContact O-OG 3.23Å; Q351-T760 HydrophobicContact CB-CG2 3.66Å; Q351-T760 HydrophobicContact CG-CG2 3.59Å |
| 352 | L | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.4 | -47.5 | 179.6 | -66.1 | 169.9 | 0 | 0 | 0 | 111.2 | L290 F345 C348 F349 S354 R355 L367 I370 L371 I374 | L290-L352 HydrophobicContact CD1-CD2 3.66Å; L290-L352 HydrophobicContact CD1-CG 4Å; L290-L352 HydrophobicContact CD2-CD2 3.69Å; L290-L352 HydrophobicContact CG-CD2 4.25Å; F345-L352 HydrophobicContact CB-CD1 4.38Å; C348-L352 WeakPolarHBondContact O-CG 3.33Å; C348-L352 PolarHBondContact O-N 2.89Å; F349-L352 PolarHBondContact O-N 2.94Å; L352-S354 VanDerWaalsContact C-N 3.31Å; L352-S354 PolarHBondContact O-N 3.01Å; L352-R355 PolarHBondContact O-N 3.36Å; L352-L367 HydrophobicContact CB-CD1 3.98Å; L352-L367 HydrophobicContact CD2-CD1 3.54Å; L352-L367 HydrophobicContact CG-CD1 4.36Å; L352-I370 HydrophobicContact CD1-CG2 4.22Å; L352-L371 HydrophobicContact CB-CD1 4.49Å; L352-L371 HydrophobicContact CB-CD2 3.63Å; L352-L371 HydrophobicContact CB-CG 4.11Å; L352-L371 HydrophobicContact CD1-CD2 4.42Å; L352-I374 HydrophobicContact CD1-CD1 3.88Å |
| 353 | I | 89.2 | Confident | 88 | Confident | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.9 | -28.3 | -176.1 | -160.9 | 72.2 | 0 | 0 | 0 | 112.5 | F349 S350 R355 I356 L371 V389 M404 | F349-I353 HydrophobicContact CD1-CB 4.26Å; F349-I353 HydrophobicContact CD1-CG2 4.16Å; F349-I353 HydrophobicContact CE1-CB 3.87Å; F349-I353 HydrophobicContact CE1-CD1 4.32Å; F349-I353 HydrophobicContact CE1-CG1 4.1Å; F349-I353 HydrophobicContact CE1-CG2 4.05Å; F349-I353 HydrophobicContact CZ-CD1 4.26Å; F349-I353 WeakPolarHBondContact O-CB 3.42Å; F349-I353 WeakPolarHBondContact O-CG2 3.3Å; F349-I353 PolarHBondContact O-N 2.93Å; S350-I353 WeakPolarHBondContact O-CG2 3.27Å; I353-R355 PolarHBondContact O-N 3.35Å; I353-I356 HydrophobicContact CD1-CD1 4.05Å; I353-I356 PolarHBondContact O-N 3.09Å; I353-L371 HydrophobicContact CB-CD2 4.38Å; I353-L371 HydrophobicContact CD1-CD1 3.95Å; I353-L371 HydrophobicContact CD1-CD2 4.28Å; I353-V389 HydrophobicContact CG1-CB 4.49Å; I353-V389 HydrophobicContact CG1-CG2 3.86Å; I353-M404 HydrophobicContact CD1-SD 4.06Å |
| 354 | S | 85 | Confident | 88.4 | Confident | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -30.7 | 175.8 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | S350 Q351 L352 | S350-S354 PolarHBondContact O-N 3.36Å; Q351-S354 PolarHBondContact O-OG 3.23Å; L352-S354 VanDerWaalsContact C-N 3.31Å; L352-S354 PolarHBondContact O-N 3.01Å |
| 355 | R | 86.7 | Confident | 88.7 | Confident | 21 Ų | 21 | 28 Ų | 28 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 13.2 | -178.1 | -66.4 | -70.5 | -163.7 | 101.4 | 25.7 | 114.6 | L294 D295 L352 I353 C357 H358 L367 Y763 | L294-R355 HydrophobicContact CD1-CB 4.11Å; L294-R355 HydrophobicContact CD1-CG 4.06Å; D295-R355 IonicContact OD1-CZ 2.85Å; D295-R355 VanDerWaalsContact OD1-CZ 3.25Å; D295-R355 IonicContact OD1-NH1 3.96Å; D295-R355 PolarHBondContact OD1-NH1 3.29Å; D295-R355 IonicContact OD1-NH2 2.79Å; D295-R355 PolarHBondContact OD1-NH2 3.14Å; L352-R355 PolarHBondContact O-N 3.36Å; I353-R355 PolarHBondContact O-N 3.35Å; R355-C357 PolarHBondContact O-N 3.41Å; R355-C357 VanDerWaalsContact O-N 3.08Å; R355-H358 PolarHBondContact O-N 3.46Å; R355-L367 VanDerWaalsContact C-CD2 3.47Å; R355-L367 HydrophobicContact CB-CD2 4.07Å; R355-L367 WeakPolarHBondContact O-CD2 3.46Å; R355-Y763 VanDerWaalsContact CZ-CE2 3.47Å |
| 356 | I | 88.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -56 | -30.8 | -174.7 | -159 | 175.8 | 0 | 0 | 0 | 113.5 | I353 H358 L371 V389 A400 C401 M404 | I353-I356 HydrophobicContact CD1-CD1 4.05Å; I353-I356 PolarHBondContact O-N 3.09Å; I356-H358 PolarHBondContact O-N 2.89Å; I356-L371 HydrophobicContact CD1-CD1 4.39Å; I356-L371 HydrophobicContact CG1-CD1 4.29Å; I356-V389 HydrophobicContact CG2-CG1 4.28Å; I356-A400 HydrophobicContact CD1-CB 4.07Å; I356-A400 HydrophobicContact CG1-CB 3.91Å; I356-A400 HydrophobicContact CG2-CB 4.27Å; I356-C401 HydrophobicContact CD1-CB 4.23Å; I356-M404 HydrophobicContact CD1-CB 4.36Å |
| 357 | C | 86.7 | Confident | 89.2 | Confident | 57 Ų | 57 | 27.4 Ų | 27.4 | 39% | 0.385 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -93.9 | 63.8 | 173.1 | -66 | 0 | 0 | 0 | 0 | 111.3 | R355 Q396 R397 | R355-C357 PolarHBondContact O-N 3.41Å; R355-C357 VanDerWaalsContact O-N 3.08Å; C357-Q396 VanDerWaalsContact SG-C 3.54Å; C357-R397 WeakPolarHBondContact SG-CA 3.42Å; C357-R397 PolarHBondContact SG-N 2.99Å |
| 358 | H | 87.2 | Confident | 89.7 | Confident | 16 Ų | 16 | 26.1 Ų | 26.1 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | trans | -75.9 | 140.8 | 179.3 | -168.7 | -88.4 | 0 | 0 | 0 | 111.4 | L294 T297 A298 R355 I356 C360 A364 | L294-H358 PolarHBondContact O-NE2 3.42Å; T297-H358 PolarHBondContact OG1-CE1 2.88Å; T297-H358 VanDerWaalsContact OG1-CE1 3.24Å; T297-H358 PolarHBondContact OG1-NE2 3.45Å; A298-H358 PolarHBondContact N-CE1 3.31Å; R355-H358 PolarHBondContact O-N 3.46Å; I356-H358 PolarHBondContact O-N 2.89Å; H358-C360 VanDerWaalsContact C-N 3.34Å; H358-C360 PolarHBondContact ND1-N 2.86Å; H358-C360 VanDerWaalsContact ND1-N 3.13Å; H358-C360 PolarHBondContact ND1-O 3.28Å; H358-C360 PolarHBondContact O-N 3.1Å; H358-A364 HydrophobicContact CB-CB 4Å | ||
| 359 | P | 86.6 | Confident | 90 | Very high | 79 Ų | 79 | 27.8 Ų | 27.8 | 51% | 0.513 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -66.1 | -31.6 | -177 | 24.9 | -36.2 | 0 | 0 | 0 | 114.1 | A298 | A298-P359 HydrophobicContact CB-CG 3.85Š|
| 360 | C | 89.2 | Confident | 90.3 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 10% | 0.095 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -84.8 | 117.5 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | H358 S362 T363 A364 | H358-C360 VanDerWaalsContact C-N 3.34Å; H358-C360 PolarHBondContact ND1-N 2.86Å; H358-C360 VanDerWaalsContact ND1-N 3.13Å; H358-C360 PolarHBondContact ND1-O 3.28Å; H358-C360 PolarHBondContact O-N 3.1Å; C360-S362 PolarHBondContact SG-OG 2.86Å; C360-S362 VanDerWaalsContact SG-OG 3.42Å; C360-T363 WeakPolarHBondContact O-CB 3.27Å; C360-T363 PolarHBondContact O-N 3.45Å; C360-T363 PolarHBondContact SG-OG1 3.41Å; C360-T363 VanDerWaalsContact SG-OG1 3.37Å; C360-A364 PolarHBondContact O-N 3.1Å |
| 361 | E | 89.8 | Confident | 90.8 | Very high | 155 Ų | 155 | 27.3 Ų | 27.3 | 72% | 0.724 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -61.5 | -46.9 | -174.4 | -172.5 | 173 | -165.1 | 0 | 0 | 113.5 | T363 A364 D365 | E361-T363 PolarHBondContact O-N 2.88Å; E361-A364 WeakPolarHBondContact O-CB 3.47Å; E361-A364 PolarHBondContact O-N 2.64Å; E361-A364 VanDerWaalsContact O-N 3.12Å; E361-D365 PolarHBondContact O-N 3.42Å |
| 362 | S | 92.5 | Very high | 91.3 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 44% | 0.441 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.5 | -35.1 | 178.6 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | N330 C360 L366 | N330-S362 PolarHBondContact ND2-OG 3.15Å; C360-S362 PolarHBondContact SG-OG 2.86Å; C360-S362 VanDerWaalsContact SG-OG 3.42Å; S362-L366 PolarHBondContact O-N 3.31Å; S362-L366 VanDerWaalsContact O-N 3.16Å |
| 363 | T | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.9 | -41.8 | 176 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | W293 L294 T297 N330 C360 E361 D365 L366 L367 | W293-T363 HydrophobicContact CH2-CG2 4.21Å; W293-T363 HydrophobicContact CZ2-CG2 3.46Å; W293-T363 VanDerWaalsContact CZ2-CG2 3.46Å; L294-T363 HydrophobicContact CD2-CG2 4.04Å; T297-T363 HydrophobicContact CG2-CG2 4.38Å; N330-T363 PolarHBondContact ND2-OG1 3.41Å; N330-T363 PolarHBondContact OD1-OG1 3.29Å; C360-T363 WeakPolarHBondContact O-CB 3.27Å; C360-T363 PolarHBondContact O-N 3.45Å; C360-T363 PolarHBondContact SG-OG1 3.41Å; C360-T363 VanDerWaalsContact SG-OG1 3.37Å; E361-T363 PolarHBondContact O-N 2.88Å; T363-D365 VanDerWaalsContact C-N 3.3Å; T363-D365 PolarHBondContact O-N 3.31Å; T363-L366 PolarHBondContact O-N 2.78Å; T363-L367 WeakPolarHBondContact O-CB 3.3Å; T363-L367 PolarHBondContact O-N 3.19Å |
| 364 | A | 92.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H358 C360 E361 L367 K368 | H358-A364 HydrophobicContact CB-CB 4Å; C360-A364 PolarHBondContact O-N 3.1Å; E361-A364 WeakPolarHBondContact O-CB 3.47Å; E361-A364 PolarHBondContact O-N 2.64Å; E361-A364 VanDerWaalsContact O-N 3.12Å; A364-L367 WeakPolarHBondContact O-CB 3.42Å; A364-L367 PolarHBondContact O-N 2.78Å; A364-K368 VanDerWaalsContact O-CG 3.31Å; A364-K368 WeakPolarHBondContact O-CG 3.38Å; A364-K368 PolarHBondContact O-N 3.43Å |
| 365 | D | 94.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 29.5 Ų | 29.5 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -68.2 | -40.9 | 177.2 | -85.1 | -21.7 | 0 | 0 | 0 | 113 | E361 T363 L367 K368 T369 R407 | E361-D365 PolarHBondContact O-N 3.42Å; T363-D365 VanDerWaalsContact C-N 3.3Å; T363-D365 PolarHBondContact O-N 3.31Å; D365-L367 VanDerWaalsContact C-N 3.32Å; D365-L367 PolarHBondContact O-N 2.93Å; D365-K368 PolarHBondContact O-N 3.29Å; D365-K368 IonicContact OD1-NZ 3.63Å; D365-K368 PolarHBondContact OD1-NZ 3.22Å; D365-T369 PolarHBondContact O-N 2.88Å; D365-T369 VanDerWaalsContact O-N 3.09Å; D365-T369 PolarHBondContact O-OG1 3.28Å; D365-T369 VanDerWaalsContact O-OG1 3.07Å; D365-R407 PolarHBondContact O-NH1 2.95Å; D365-R407 IonicContact OD1-CZ 3.9Å; D365-R407 IonicContact OD1-NH1 3.95Å; D365-R407 IonicContact OD1-NH2 2.74Å; D365-R407 PolarHBondContact OD1-NH2 3.39Å |
| 366 | L | 94.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 172.5 | -179.5 | 55.7 | 0 | 0 | 0 | 111.3 | W293 N330 V333 L334 S362 T363 K368 T369 I370 | W293-L366 HydrophobicContact CH2-CD2 4.28Å; W293-L366 HydrophobicContact CH2-CG 4.21Å; W293-L366 HydrophobicContact CZ2-CB 4.3Å; W293-L366 HydrophobicContact CZ2-CD2 3.74Å; W293-L366 HydrophobicContact CZ2-CG 4.09Å; N330-L366 HydrophobicContact CB-CD2 4.05Å; N330-L366 VanDerWaalsContact O-CD2 3.3Å; N330-L366 WeakPolarHBondContact O-CD2 3.1Å; V333-L366 HydrophobicContact CB-CD2 4.15Å; V333-L366 HydrophobicContact CG1-CD2 4.16Å; L334-L366 HydrophobicContact CB-CD1 3.94Å; L334-L366 HydrophobicContact CB-CD2 4.24Å; L334-L366 HydrophobicContact CD1-CD1 3.64Å; L334-L366 HydrophobicContact CG-CD1 4.33Å; S362-L366 PolarHBondContact O-N 3.31Å; S362-L366 VanDerWaalsContact O-N 3.16Å; T363-L366 PolarHBondContact O-N 2.78Å; L366-K368 PolarHBondContact O-N 3.47Å; L366-T369 WeakPolarHBondContact O-CB 3.44Å; L366-T369 PolarHBondContact O-N 2.81Å; L366-T369 VanDerWaalsContact O-N 3.16Å; L366-I370 HydrophobicContact CD1-CD1 4.31Å; L366-I370 HydrophobicContact CD1-CG1 4.36Å; L366-I370 HydrophobicContact CG-CD1 4.11Å; L366-I370 WeakPolarHBondContact O-CG1 3.48Å; L366-I370 PolarHBondContact O-N 3.11Å |
| 367 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 177.4 | -178.2 | 63.8 | 0 | 0 | 0 | 112.1 | W293 L352 R355 T363 A364 D365 T369 I370 L371 | W293-L367 HydrophobicContact CH2-CB 4.34Å; W293-L367 HydrophobicContact CZ3-CD1 4.44Å; L352-L367 HydrophobicContact CB-CD1 3.98Å; L352-L367 HydrophobicContact CD2-CD1 3.54Å; L352-L367 HydrophobicContact CG-CD1 4.36Å; R355-L367 VanDerWaalsContact C-CD2 3.47Å; R355-L367 HydrophobicContact CB-CD2 4.07Å; R355-L367 WeakPolarHBondContact O-CD2 3.46Å; T363-L367 WeakPolarHBondContact O-CB 3.3Å; T363-L367 PolarHBondContact O-N 3.19Å; A364-L367 WeakPolarHBondContact O-CB 3.42Å; A364-L367 PolarHBondContact O-N 2.78Å; D365-L367 VanDerWaalsContact C-N 3.32Å; D365-L367 PolarHBondContact O-N 2.93Å; L367-T369 VanDerWaalsContact C-N 3.28Å; L367-T369 PolarHBondContact O-N 3.3Å; L367-I370 PolarHBondContact O-N 2.95Å; L367-L371 HydrophobicContact CD1-CD1 4.39Å; L367-L371 HydrophobicContact CG-CD1 4.15Å; L367-L371 WeakPolarHBondContact O-CB 3.37Å; L367-L371 WeakPolarHBondContact O-CG 3.28Å; L367-L371 PolarHBondContact O-N 3.05Å |
| 368 | K | 95 | Very high | 92.8 | Very high | 20 Ų | 20 | 31.3 Ų | 31.3 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -39.6 | 174.2 | -69.2 | 169.2 | -148.7 | 161.8 | 0 | 111.5 | A364 D365 L366 A372 Q403 M404 | A364-K368 VanDerWaalsContact O-CG 3.31Å; A364-K368 WeakPolarHBondContact O-CG 3.38Å; A364-K368 PolarHBondContact O-N 3.43Å; D365-K368 PolarHBondContact O-N 3.29Å; D365-K368 IonicContact OD1-NZ 3.63Å; D365-K368 PolarHBondContact OD1-NZ 3.22Å; L366-K368 PolarHBondContact O-N 3.47Å; K368-A372 WeakPolarHBondContact O-CB 2.95Å; K368-A372 PolarHBondContact O-N 3.19Å; K368-Q403 HydrophobicContact CD-CB 4.19Å; K368-M404 HydrophobicContact CB-CB 4.46Å |
| 369 | T | 94.8 | Very high | 92.9 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | D365 L366 L367 A372 R373 R407 | D365-T369 PolarHBondContact O-N 2.88Å; D365-T369 VanDerWaalsContact O-N 3.09Å; D365-T369 PolarHBondContact O-OG1 3.28Å; D365-T369 VanDerWaalsContact O-OG1 3.07Å; L366-T369 WeakPolarHBondContact O-CB 3.44Å; L366-T369 PolarHBondContact O-N 2.81Å; L366-T369 VanDerWaalsContact O-N 3.16Å; L367-T369 VanDerWaalsContact C-N 3.28Å; L367-T369 PolarHBondContact O-N 3.3Å; T369-A372 PolarHBondContact O-N 3.2Å; T369-R373 WeakPolarHBondContact O-CG 3.39Å; T369-R373 PolarHBondContact O-N 3.28Å; T369-R407 PolarHBondContact OG1-NH1 3.3Å |
| 370 | I | 95.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -48.8 | 176.3 | -66.2 | 168.4 | 0 | 0 | 0 | 110.2 | W293 V333 F345 L352 L366 L367 A372 R373 I374 | W293-I370 HydrophobicContact CH2-CD1 4.23Å; W293-I370 HydrophobicContact CZ3-CD1 4.4Å; V333-I370 HydrophobicContact CG1-CD1 3.92Å; F345-I370 HydrophobicContact CB-CG2 4.42Å; F345-I370 HydrophobicContact CD1-CG2 4.02Å; F345-I370 HydrophobicContact CG-CG2 4.2Å; L352-I370 HydrophobicContact CD1-CG2 4.22Å; L366-I370 HydrophobicContact CD1-CD1 4.31Å; L366-I370 HydrophobicContact CD1-CG1 4.36Å; L366-I370 HydrophobicContact CG-CD1 4.11Å; L366-I370 WeakPolarHBondContact O-CG1 3.48Å; L366-I370 PolarHBondContact O-N 3.11Å; L367-I370 PolarHBondContact O-N 2.95Å; I370-A372 VanDerWaalsContact C-N 3.33Å; I370-A372 PolarHBondContact O-N 2.97Å; I370-R373 PolarHBondContact O-N 3.2Å; I370-I374 HydrophobicContact CG2-CD1 4.37Å; I370-I374 WeakPolarHBondContact O-CG1 3.35Å; I370-I374 PolarHBondContact O-N 3.02Å |
| 371 | L | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.4 | -76.3 | 167.2 | 0 | 0 | 0 | 112.1 | F349 L352 I353 I356 L367 R373 I374 V375 M404 | F349-L371 HydrophobicContact CD2-CD2 4Å; F349-L371 HydrophobicContact CE2-CD2 3.75Å; F349-L371 HydrophobicContact CZ-CD2 4.1Å; L352-L371 HydrophobicContact CB-CD1 4.49Å; L352-L371 HydrophobicContact CB-CD2 3.63Å; L352-L371 HydrophobicContact CB-CG 4.11Å; L352-L371 HydrophobicContact CD1-CD2 4.42Å; I353-L371 HydrophobicContact CB-CD2 4.38Å; I353-L371 HydrophobicContact CD1-CD1 3.95Å; I353-L371 HydrophobicContact CD1-CD2 4.28Å; I356-L371 HydrophobicContact CD1-CD1 4.39Å; I356-L371 HydrophobicContact CG1-CD1 4.29Å; L367-L371 HydrophobicContact CD1-CD1 4.39Å; L367-L371 HydrophobicContact CG-CD1 4.15Å; L367-L371 WeakPolarHBondContact O-CB 3.37Å; L367-L371 WeakPolarHBondContact O-CG 3.28Å; L367-L371 PolarHBondContact O-N 3.05Å; L371-R373 VanDerWaalsContact C-N 3.31Å; L371-R373 PolarHBondContact O-N 3.37Å; L371-I374 HydrophobicContact CD2-CD1 4.48Å; L371-I374 PolarHBondContact O-N 2.94Å; L371-I374 VanDerWaalsContact O-N 3.12Å; L371-V375 WeakPolarHBondContact O-CG2 3.3Å; L371-V375 PolarHBondContact O-N 3.19Å; L371-M404 HydrophobicContact CB-CG 3.67Å; L371-M404 HydrophobicContact CB-SD 3.56Å; L371-M404 VanDerWaalsContact CB-SD 3.56Å; L371-M404 HydrophobicContact CD1-SD 4.21Å; L371-M404 HydrophobicContact CG-SD 4.39Å |
| 372 | A | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K368 T369 I370 V375 A376 M404 R407 A408 L411 | K368-A372 WeakPolarHBondContact O-CB 2.95Å; K368-A372 PolarHBondContact O-N 3.19Å; T369-A372 PolarHBondContact O-N 3.2Å; I370-A372 VanDerWaalsContact C-N 3.33Å; I370-A372 PolarHBondContact O-N 2.97Å; A372-V375 PolarHBondContact O-N 2.93Å; A372-A376 VanDerWaalsContact O-CB 3.27Å; A372-A376 WeakPolarHBondContact O-CB 3.49Å; A372-A376 PolarHBondContact O-N 3.15Å; A372-M404 HydrophobicContact CB-CG 4.39Å; A372-R407 HydrophobicContact CB-CB 3.73Å; A372-A408 HydrophobicContact CB-CB 4.15Å; A372-L411 HydrophobicContact CB-CD1 4.43Å |
| 373 | R | 94.9 | Very high | 93.2 | Very high | 69 Ų | 69 | 18.5 Ų | 18.5 | 26% | 0.26 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 173.8 | -70.6 | 178.2 | -173.1 | 176.8 | 0.3 | 112.5 | S337 D338 T369 I370 L371 A376 A377 L411 | S337-R373 VanDerWaalsContact C-NH1 3.28Å; S337-R373 PolarHBondContact O-NH1 3.28Å; S337-R373 PolarHBondContact OG-NH1 2.96Å; D338-R373 IonicContact OD1-CZ 3.55Å; D338-R373 IonicContact OD1-NH1 3.25Å; D338-R373 PolarHBondContact OD1-NH1 3.28Å; D338-R373 IonicContact OD1-NH2 3.58Å; D338-R373 PolarHBondContact OD1-NH2 3.22Å; T369-R373 WeakPolarHBondContact O-CG 3.39Å; T369-R373 PolarHBondContact O-N 3.28Å; I370-R373 PolarHBondContact O-N 3.2Å; L371-R373 VanDerWaalsContact C-N 3.31Å; L371-R373 PolarHBondContact O-N 3.37Å; R373-A376 PolarHBondContact O-N 3.22Å; R373-A377 WeakPolarHBondContact O-CB 3.37Å; R373-A377 PolarHBondContact O-N 3.26Å; R373-L411 HydrophobicContact CG-CD1 3.99Å |
| 374 | I | 93.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 177 | -57.2 | 163.9 | 0 | 0 | 0 | 110.5 | V342 F345 Y346 F349 L352 I370 L371 A376 A377 Y378 | V342-I374 HydrophobicContact CG1-CB 4.22Å; V342-I374 HydrophobicContact CG1-CG1 3.96Å; F345-I374 HydrophobicContact CB-CD1 3.59Å; F345-I374 HydrophobicContact CB-CG1 3.96Å; Y346-I374 HydrophobicContact CD2-CG2 3.84Å; Y346-I374 HydrophobicContact CG-CG2 4.47Å; F349-I374 HydrophobicContact CD2-CB 4.31Å; F349-I374 HydrophobicContact CD2-CD1 4.1Å; F349-I374 HydrophobicContact CD2-CG2 3.8Å; F349-I374 HydrophobicContact CE2-CB 4.46Å; F349-I374 HydrophobicContact CE2-CG2 4.22Å; L352-I374 HydrophobicContact CD1-CD1 3.88Å; I370-I374 HydrophobicContact CG2-CD1 4.37Å; I370-I374 WeakPolarHBondContact O-CG1 3.35Å; I370-I374 PolarHBondContact O-N 3.02Å; L371-I374 HydrophobicContact CD2-CD1 4.48Å; L371-I374 PolarHBondContact O-N 2.94Å; L371-I374 VanDerWaalsContact O-N 3.12Å; I374-A376 VanDerWaalsContact C-N 3.34Å; I374-A377 PolarHBondContact O-N 3.41Å; I374-Y378 HydrophobicContact CG2-CD2 4.47Å; I374-Y378 PolarHBondContact O-N 2.92Å |
| 375 | V | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 111 | F349 L371 A372 A377 Y378 P379 L383 M404 L405 A408 V415 | F349-V375 HydrophobicContact CE2-CG2 4.11Å; F349-V375 HydrophobicContact CZ-CG2 4.41Å; L371-V375 WeakPolarHBondContact O-CG2 3.3Å; L371-V375 PolarHBondContact O-N 3.19Å; A372-V375 PolarHBondContact O-N 2.93Å; V375-A377 VanDerWaalsContact C-N 3.35Å; V375-A377 PolarHBondContact O-N 2.9Å; V375-Y378 CarbonylContact O-C 3.51Å; V375-P379 WeakPolarHBondContact O-CA 2.95Å; V375-P379 WeakPolarHBondContact O-CB 3.48Å; V375-P379 VanDerWaalsContact O-N 3.08Å; V375-L383 HydrophobicContact CG1-CD2 4.33Å; V375-M404 HydrophobicContact CG2-CE 4.03Å; V375-M404 HydrophobicContact CG2-SD 4.38Å; V375-L405 HydrophobicContact CG1-CD2 4.4Å; V375-A408 HydrophobicContact CB-CB 3.98Å; V375-A408 HydrophobicContact CG1-CB 3.91Å; V375-V415 HydrophobicContact CG1-CG1 4.05Å |
| 376 | A | 93.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 16.7 Ų | 16.7 | 11% | 0.107 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A372 R373 I374 L411 N412 | A372-A376 VanDerWaalsContact O-CB 3.27Å; A372-A376 WeakPolarHBondContact O-CB 3.49Å; A372-A376 PolarHBondContact O-N 3.15Å; R373-A376 PolarHBondContact O-N 3.22Å; I374-A376 VanDerWaalsContact C-N 3.34Å; A376-L411 HydrophobicContact CB-CB 3.76Å; A376-L411 HydrophobicContact CB-CD1 4.3Å; A376-N412 HydrophobicContact CB-CB 3.97Å; A376-N412 PolarHBondContact O-ND2 3.12Å |
| 377 | A | 90.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 16 Ų | 16 | 41% | 0.405 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -77.9 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V342 R373 I374 V375 | V342-A377 HydrophobicContact CB-CB 4.27Å; V342-A377 HydrophobicContact CG1-CB 3.81Å; R373-A377 WeakPolarHBondContact O-CB 3.37Å; R373-A377 PolarHBondContact O-N 3.26Å; I374-A377 PolarHBondContact O-N 3.41Å; V375-A377 VanDerWaalsContact C-N 3.35Å; V375-A377 PolarHBondContact O-N 2.9Å |
| 378 | Y | 90.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 16.9 Ų | 16.9 | 22% | 0.216 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -129.7 | 71.6 | -178.1 | -52.8 | -65.2 | 0 | 0 | 0 | 110.2 | V342 F343 I374 V375 Q380 G382 F475 | V342-Y378 HydrophobicContact CB-CE2 4.45Å; V342-Y378 HydrophobicContact CG1-CE2 4.2Å; F343-Y378 HydrophobicContact CB-CE2 4.2Å; I374-Y378 HydrophobicContact CG2-CD2 4.47Å; I374-Y378 PolarHBondContact O-N 2.92Å; V375-Y378 CarbonylContact O-C 3.51Å; Y378-Q380 PolarHBondContact O-N 3.24Å; Y378-G382 PolarHBondContact O-N 2.94Å; Y378-F475 AromaticContact CD1-CZ 3.83Å; Y378-F475 HydrophobicContact CD1-CZ 3.83Å; Y378-F475 HydrophobicContact CD2-CZ 4.2Å; Y378-F475 AromaticContact CE1-CE1 4Å; Y378-F475 HydrophobicContact CE1-CE1 4Å; Y378-F475 AromaticContact CE1-CZ 3.62Å; Y378-F475 HydrophobicContact CE1-CZ 3.62Å; Y378-F475 AromaticContact CE2-CZ 3.99Å; Y378-F475 HydrophobicContact CE2-CZ 3.99Å; Y378-F475 HydrophobicContact CG-CZ 4.12Å; Y378-F475 AromaticContact CZ-CZ 3.7Å |
| 379 | P | 90.4 | Very high | 92 | Very high | 20 Ų | 20 | 16.5 Ų | 16.5 | 13% | 0.13 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | -168.2 | 25.6 | -35.5 | 0 | 0 | 0 | 112.1 | V375 Q381 G382 L383 V415 Q418 | V375-P379 WeakPolarHBondContact O-CA 2.95Å; V375-P379 WeakPolarHBondContact O-CB 3.48Å; V375-P379 VanDerWaalsContact O-N 3.08Å; P379-Q381 PolarHBondContact O-N 3.32Å; P379-G382 PolarHBondContact O-N 3.12Å; P379-L383 WeakPolarHBondContact O-CB 3.36Å; P379-L383 WeakPolarHBondContact O-CG 3.41Å; P379-L383 PolarHBondContact O-N 2.9Å; P379-V415 HydrophobicContact CB-CG2 4.08Å; P379-Q418 VanDerWaalsContact CG-OE1 3.24Å |
| 380 | Q | 89.9 | Confident | 91.7 | Very high | 17 Ų | 17 | 15 Ų | 15 | 8% | 0.079 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | -175.2 | -56.9 | -155.9 | 2.4 | 0 | 0 | 113.2 | Y378 W384 P464 L466 Y496 | Y378-Q380 PolarHBondContact O-N 3.24Å; Q380-W384 VanDerWaalsContact O-CD1 3.23Å; Q380-W384 PolarHBondContact O-N 3.3Å; Q380-W384 VanDerWaalsContact O-N 3.14Å; Q380-P464 PolarHBondContact NE2-O 3.03Å; Q380-P464 PolarHBondContact OE1-O 3.27Å; Q380-L466 HydrophobicContact CB-CB 3.81Å; Q380-L466 HydrophobicContact CB-CD2 4.36Å; Q380-Y496 VanDerWaalsContact OE1-CE1 3.3Å |
| 381 | Q | 91 | Very high | 91.3 | Very high | 20 Ų | 20 | 19.3 Ų | 19.3 | 9% | 0.093 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.9 | -46.6 | 175.6 | -63.9 | 85.2 | -9.1 | 0 | 0 | 111.5 | Y346 P379 L383 W384 M385 L466 M473 | Y346-Q381 HydrophobicContact CE2-CB 3.78Å; P379-Q381 PolarHBondContact O-N 3.32Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.06Å; Q381-W384 PolarHBondContact O-N 3.07Å; Q381-M385 WeakPolarHBondContact O-CG 3.46Å; Q381-M385 PolarHBondContact O-N 2.85Å; Q381-M385 VanDerWaalsContact O-N 3.16Å; Q381-L466 HydrophobicContact CG-CD2 3.84Å; Q381-M473 HydrophobicContact CB-SD 4.36Å; Q381-M473 HydrophobicContact CG-SD 4.12Å |
| 382 | G | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y378 P379 M385 S386 | Y378-G382 PolarHBondContact O-N 2.94Å; P379-G382 PolarHBondContact O-N 3.12Å; G382-M385 PolarHBondContact O-N 3.46Å; G382-S386 WeakPolarHBondContact O-CB 3.27Å; G382-S386 PolarHBondContact O-N 2.72Å; G382-S386 PolarHBondContact O-OG 3.47Å |
| 383 | L | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.9 | -51.4 | 176.1 | -74.3 | 178 | 0 | 0 | 0 | 111.1 | V375 P379 Q381 M385 S386 M387 L405 Q418 F419 M422 | V375-L383 HydrophobicContact CG1-CD2 4.33Å; P379-L383 WeakPolarHBondContact O-CB 3.36Å; P379-L383 WeakPolarHBondContact O-CG 3.41Å; P379-L383 PolarHBondContact O-N 2.9Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.06Å; L383-M385 PolarHBondContact O-N 3.19Å; L383-S386 PolarHBondContact O-N 3.04Å; L383-M387 VanDerWaalsContact O-CG 3.3Å; L383-M387 WeakPolarHBondContact O-CG 3.33Å; L383-M387 PolarHBondContact O-N 3.14Å; L383-L405 HydrophobicContact CD2-CD2 3.68Å; L383-Q418 HydrophobicContact CD1-CB 3.75Å; L383-F419 HydrophobicContact CD1-CB 4.3Å; L383-F419 HydrophobicContact CD2-CB 4.04Å; L383-F419 HydrophobicContact CD2-CD2 3.76Å; L383-F419 HydrophobicContact CD2-CG 4.36Å; L383-M422 HydrophobicContact CB-CE 4.35Å; L383-M422 HydrophobicContact CB-CG 4.43Å |
| 384 | W | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -51.1 | -43.3 | 175 | -88.4 | 124.5 | 0 | 0 | 0 | 112.8 | Q380 Q381 S386 M422 F425 V426 L429 V465 L466 P468 M473 T572 L580 | Q380-W384 VanDerWaalsContact O-CD1 3.23Å; Q380-W384 PolarHBondContact O-N 3.3Å; Q380-W384 VanDerWaalsContact O-N 3.14Å; Q381-W384 PolarHBondContact O-N 3.07Å; W384-S386 VanDerWaalsContact C-N 3.3Å; W384-S386 PolarHBondContact O-N 3.35Å; W384-M422 HydrophobicContact CD2-CE 3.76Å; W384-M422 HydrophobicContact CD2-SD 3.87Å; W384-M422 HydrophobicContact CE3-SD 4.07Å; W384-M422 HydrophobicContact CG-CE 3.82Å; W384-M422 HydrophobicContact CG-SD 4.49Å; W384-M422 HydrophobicContact CH2-SD 4.15Å; W384-M422 HydrophobicContact CZ2-CE 4.2Å; W384-M422 HydrophobicContact CZ2-SD 3.9Å; W384-M422 HydrophobicContact CZ3-SD 4.21Å; W384-F425 AromaticContact CH2-CD1 3.95Å; W384-F425 HydrophobicContact CH2-CD1 3.95Å; W384-F425 AromaticContact CH2-CE1 3.6Å; W384-F425 HydrophobicContact CH2-CE1 3.6Å; W384-F425 HydrophobicContact CZ2-CD1 4.21Å; W384-F425 AromaticContact CZ2-CE1 3.82Å; W384-F425 HydrophobicContact CZ2-CE1 3.82Å; W384-V426 HydrophobicContact CZ3-CG2 4.35Å; W384-L429 HydrophobicContact CH2-CD1 4.08Å; W384-V465 HydrophobicContact CZ2-CG1 3.98Å; W384-L466 PolarHBondContact NE1-O 3.24Å; W384-P468 HydrophobicContact CD2-CB 4.31Å; W384-P468 HydrophobicContact CD2-CG 4.36Å; W384-P468 HydrophobicContact CG-CB 4.47Å; W384-P468 HydrophobicContact CH2-CG 4.12Å; W384-P468 HydrophobicContact CZ2-CG 3.79Å; W384-M473 HydrophobicContact CB-CE 3.67Å; W384-M473 HydrophobicContact CG-CE 4.28Å; W384-T572 HydrophobicContact CB-CG2 4.5Å; W384-T572 HydrophobicContact CD2-CG2 4.24Å; W384-T572 HydrophobicContact CE3-CG2 3.5Å; W384-T572 HydrophobicContact CZ3-CG2 4.01Å; W384-L580 HydrophobicContact CH2-CD1 3.99Å; W384-L580 HydrophobicContact CZ3-CD1 4.24Å |
| 385 | M | 88.9 | Confident | 89.5 | Confident | 22 Ų | 22 | 25.2 Ų | 25.2 | 11% | 0.108 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.2 | -22.6 | -179.6 | -60.6 | -71 | -77.6 | 0 | 0 | 113.1 | F349 Q381 G382 L383 M473 K540 | F349-M385 HydrophobicContact CD1-CB 3.47Å; F349-M385 VanDerWaalsContact CD1-CB 3.47Å; F349-M385 HydrophobicContact CD1-CE 4.2Å; F349-M385 HydrophobicContact CD1-CG 4.12Å; F349-M385 HydrophobicContact CE1-CB 3.24Å; F349-M385 HydrophobicContact CE1-CG 4.32Å; F349-M385 HydrophobicContact CG-CB 4.44Å; F349-M385 HydrophobicContact CZ-CB 4.06Å; Q381-M385 WeakPolarHBondContact O-CG 3.46Å; Q381-M385 PolarHBondContact O-N 2.85Å; Q381-M385 VanDerWaalsContact O-N 3.16Å; G382-M385 PolarHBondContact O-N 3.46Å; L383-M385 PolarHBondContact O-N 3.19Å; M385-M473 HydrophobicContact CG-CE 4.16Å; M385-M473 HydrophobicContact SD-CE 3.99Å; M385-K540 VanDerWaalsContact CE-NZ 3.26Å; M385-K540 VanDerWaalsContact SD-CE 3.51Å; M385-K540 PolarHBondContact SD-NZ 3.45Å |
| 386 | S | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -91.7 | -22.8 | -178.3 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | F349 G382 L383 W384 A388 V389 A390 | F349-S386 WeakPolarHBondContact CZ-OG 3.38Å; G382-S386 WeakPolarHBondContact O-CB 3.27Å; G382-S386 PolarHBondContact O-N 2.72Å; G382-S386 PolarHBondContact O-OG 3.47Å; L383-S386 PolarHBondContact O-N 3.04Å; W384-S386 VanDerWaalsContact C-N 3.3Å; W384-S386 PolarHBondContact O-N 3.35Å; S386-A388 VanDerWaalsContact C-N 3.31Å; S386-A388 PolarHBondContact O-N 3.36Å; S386-V389 PolarHBondContact O-N 3.33Å; S386-A390 PolarHBondContact O-N 2.81Å |
| 387 | M | 89.9 | Confident | 89 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.6 | -40.3 | -172.9 | -73.9 | -50.1 | -63.9 | 0 | 0 | 113.9 | L383 V389 A390 R391 F419 M422 K423 V426 | L383-M387 VanDerWaalsContact O-CG 3.3Å; L383-M387 WeakPolarHBondContact O-CG 3.33Å; L383-M387 PolarHBondContact O-N 3.14Å; M387-V389 VanDerWaalsContact C-N 3.27Å; M387-V389 PolarHBondContact O-N 3.35Å; M387-A390 PolarHBondContact O-N 3.11Å; M387-R391 PolarHBondContact O-N 3.47Å; M387-R391 VanDerWaalsContact O-N 3.09Å; M387-F419 HydrophobicContact SD-CD2 4.46Å; M387-F419 HydrophobicContact SD-CE2 4.11Å; M387-M422 HydrophobicContact CG-CG 3.8Å; M387-M422 HydrophobicContact SD-CG 3.81Å; M387-K423 HydrophobicContact CE-CB 4.43Å; M387-V426 HydrophobicContact CB-CG2 4.41Å; M387-V426 HydrophobicContact CE-CB 3.85Å; M387-V426 HydrophobicContact CE-CG1 3.79Å; M387-V426 HydrophobicContact CE-CG2 3.89Å; M387-V426 HydrophobicContact CG-CG2 4.02Å |
| 388 | A | 87.4 | Confident | 89 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S386 R391 S392 P573 I574 | S386-A388 VanDerWaalsContact C-N 3.31Å; S386-A388 PolarHBondContact O-N 3.36Å; A388-R391 PolarHBondContact O-N 2.93Å; A388-S392 PolarHBondContact O-N 3.44Å; A388-P573 HydrophobicContact CB-CB 4.04Å; A388-I574 WeakPolarHBondContact CA-O 3.43Å |
| 389 | V | 88.4 | Confident | 89.2 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -77.6 | -37 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 111 | I353 I356 S386 M387 R391 S392 R397 C401 | I353-V389 HydrophobicContact CG1-CB 4.49Å; I353-V389 HydrophobicContact CG1-CG2 3.86Å; I356-V389 HydrophobicContact CG2-CG1 4.28Å; S386-V389 PolarHBondContact O-N 3.33Å; M387-V389 VanDerWaalsContact C-N 3.27Å; M387-V389 PolarHBondContact O-N 3.35Å; V389-R391 PolarHBondContact O-N 2.87Å; V389-S392 WeakPolarHBondContact O-CB 3.49Å; V389-S392 PolarHBondContact O-N 2.95Å; V389-S392 VanDerWaalsContact O-N 3.15Å; V389-R397 HydrophobicContact CG1-CB 4.2Å; V389-C401 HydrophobicContact CG1-CB 3.99Å |
| 390 | A | 89.3 | Confident | 89.3 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -23.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S386 M387 R398 | S386-A390 PolarHBondContact O-N 2.81Å; M387-A390 PolarHBondContact O-N 3.11Å; A390-R398 WeakPolarHBondContact O-CG 3.38Å |
| 391 | R | 87.1 | Confident | 89.5 | Confident | 93 Ų | 93 | 36.1 Ų | 36.1 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 7 | 177.4 | -64.4 | -179.1 | 64.8 | 91 | 2 | 114.3 | M387 A388 V389 | M387-R391 PolarHBondContact O-N 3.47Å; M387-R391 VanDerWaalsContact O-N 3.09Å; A388-R391 PolarHBondContact O-N 2.93Å; V389-R391 PolarHBondContact O-N 2.87Å |
| 392 | S | 85.3 | Confident | 89.6 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | trans | -54.8 | 140.7 | 179.1 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | A388 V389 V394 R398 | A388-S392 PolarHBondContact O-N 3.44Å; V389-S392 WeakPolarHBondContact O-CB 3.49Å; V389-S392 PolarHBondContact O-N 2.95Å; V389-S392 VanDerWaalsContact O-N 3.15Å; S392-V394 VanDerWaalsContact C-N 3.27Å; S392-V394 PolarHBondContact O-N 3.21Å; S392-V394 PolarHBondContact OG-N 3.02Å; S392-R398 PolarHBondContact O-NE 3.19Å; S392-R398 PolarHBondContact O-NH2 3.39Å | ||
| 393 | S | 84.3 | Confident | 89.8 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -62.9 | -35.2 | 172.7 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | P395 R398 E576 | S393-P395 WeakPolarHBondContact O-CD 3.33Å; S393-R398 PolarHBondContact O-NH2 3Å; S393-E576 WeakPolarHBondContact CB-OE1 3.42Å; S393-E576 VanDerWaalsContact CB-OE2 3.28Å; S393-E576 WeakPolarHBondContact CB-OE2 3.35Å; S393-E576 PolarHBondContact N-OE1 2.97Å; S393-E576 PolarHBondContact OG-OE1 3.22Å; S393-E576 PolarHBondContact OG-OE2 3.13Å; S393-E576 VanDerWaalsContact OG-OE2 3.04Å |
| 394 | V | 85.1 | Confident | 89.9 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -69.3 | 116.9 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | S392 Q396 R397 R398 L766 | S392-V394 VanDerWaalsContact C-N 3.27Å; S392-V394 PolarHBondContact O-N 3.21Å; S392-V394 PolarHBondContact OG-N 3.02Å; V394-Q396 HydrophobicContact CG1-CB 4.35Å; V394-Q396 PolarHBondContact O-N 3.07Å; V394-R397 HydrophobicContact CB-CB 4.39Å; V394-R397 HydrophobicContact CB-CG 4.17Å; V394-R397 HydrophobicContact CG1-CG 4.1Å; V394-R397 PolarHBondContact O-N 2.66Å; V394-R398 PolarHBondContact O-N 2.74Å; V394-L766 HydrophobicContact CG2-CD2 3.93Å; V394-L766 HydrophobicContact CG2-CG 4.42Å |
| 395 | P | 87.5 | Confident | 90 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 59% | 0.591 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.6 | -35.8 | -173.3 | 24.6 | -33.4 | 0 | 0 | 0 | 112.9 | S393 R397 R398 Q399 | S393-P395 WeakPolarHBondContact O-CD 3.33Å; P395-R397 PolarHBondContact O-N 2.91Å; P395-R398 WeakPolarHBondContact O-CB 3.42Å; P395-R398 PolarHBondContact O-N 3.36Å; P395-Q399 WeakPolarHBondContact O-CB 3.35Å; P395-Q399 PolarHBondContact O-N 2.89Å |
| 396 | Q | 88.7 | Confident | 90.2 | Very high | 137 Ų | 137 | 48.7 Ų | 48.7 | 64% | 0.64 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.3 | -42.9 | 177.9 | -67.9 | 174.6 | -9.3 | 0 | 0 | 112.1 | C357 V394 Q399 A400 | C357-Q396 VanDerWaalsContact SG-C 3.54Å; V394-Q396 HydrophobicContact CG1-CB 4.35Å; V394-Q396 PolarHBondContact O-N 3.07Å; Q396-Q399 PolarHBondContact O-N 3.19Å; Q396-A400 WeakPolarHBondContact O-CB 3.5Å; Q396-A400 PolarHBondContact O-N 2.91Å |
| 397 | R | 87.8 | Confident | 90.4 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 177 | -66.9 | -171.4 | 80.2 | 166.6 | 8.1 | 111.4 | C357 V389 V394 P395 A400 C401 D764 | C357-R397 WeakPolarHBondContact SG-CA 3.42Å; C357-R397 PolarHBondContact SG-N 2.99Å; V389-R397 HydrophobicContact CG1-CB 4.2Å; V394-R397 HydrophobicContact CB-CB 4.39Å; V394-R397 HydrophobicContact CB-CG 4.17Å; V394-R397 HydrophobicContact CG1-CG 4.1Å; V394-R397 PolarHBondContact O-N 2.66Å; P395-R397 PolarHBondContact O-N 2.91Å; R397-A400 PolarHBondContact O-N 2.86Å; R397-C401 WeakPolarHBondContact O-CB 3.43Å; R397-C401 PolarHBondContact O-N 2.82Å; R397-D764 IonicContact CZ-OD1 3.85Å; R397-D764 IonicContact NH1-OD1 2.93Å; R397-D764 PolarHBondContact NH1-OD1 3.29Å; R397-D764 IonicContact NH2-OD1 3.95Å; R397-D764 PolarHBondContact NH2-OD1 2.94Å |
| 398 | R | 91.1 | Very high | 90.6 | Very high | 104 Ų | 104 | 51.9 Ų | 51.9 | 39% | 0.392 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.9 | -54.8 | 176.7 | -162.4 | -177.9 | -48.9 | 167.2 | 9.7 | 110.2 | A390 S392 S393 V394 P395 A400 C401 W402 | A390-R398 WeakPolarHBondContact O-CG 3.38Å; S392-R398 PolarHBondContact O-NE 3.19Å; S392-R398 PolarHBondContact O-NH2 3.39Å; S393-R398 PolarHBondContact O-NH2 3Å; V394-R398 PolarHBondContact O-N 2.74Å; P395-R398 WeakPolarHBondContact O-CB 3.42Å; P395-R398 PolarHBondContact O-N 3.36Å; R398-A400 VanDerWaalsContact C-N 3.35Å; R398-A400 PolarHBondContact O-N 3.42Å; R398-C401 WeakPolarHBondContact O-CB 3.45Å; R398-C401 PolarHBondContact O-N 3.27Å; R398-C401 VanDerWaalsContact O-N 3.14Å; R398-W402 PolarHBondContact O-N 3.02Å |
| 399 | Q | 93.2 | Very high | 90.9 | Very high | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | -179.4 | -172.6 | 179.9 | 9.1 | 0 | 0 | 112.3 | P395 Q396 C401 W402 Q403 | P395-Q399 WeakPolarHBondContact O-CB 3.35Å; P395-Q399 PolarHBondContact O-N 2.89Å; Q396-Q399 PolarHBondContact O-N 3.19Å; Q399-C401 VanDerWaalsContact C-N 3.32Å; Q399-C401 PolarHBondContact O-N 2.92Å; Q399-W402 PolarHBondContact O-N 2.77Å; Q399-Q403 WeakPolarHBondContact O-CG 3.42Å; Q399-Q403 PolarHBondContact O-N 3.47Å |
| 400 | A | 92.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I356 Q396 R397 R398 Q403 M404 | I356-A400 HydrophobicContact CD1-CB 4.07Å; I356-A400 HydrophobicContact CG1-CB 3.91Å; I356-A400 HydrophobicContact CG2-CB 4.27Å; Q396-A400 WeakPolarHBondContact O-CB 3.5Å; Q396-A400 PolarHBondContact O-N 2.91Å; R397-A400 PolarHBondContact O-N 2.86Å; R398-A400 VanDerWaalsContact C-N 3.35Å; R398-A400 PolarHBondContact O-N 3.42Å; A400-Q403 PolarHBondContact O-N 2.9Å; A400-M404 PolarHBondContact O-N 3.32Å; A400-M404 VanDerWaalsContact O-N 3.08Å |
| 401 | C | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.7 | -168.9 | 0 | 0 | 0 | 0 | 112 | I356 V389 R397 R398 Q399 M404 L405 | I356-C401 HydrophobicContact CD1-CB 4.23Å; V389-C401 HydrophobicContact CG1-CB 3.99Å; R397-C401 WeakPolarHBondContact O-CB 3.43Å; R397-C401 PolarHBondContact O-N 2.82Å; R398-C401 WeakPolarHBondContact O-CB 3.45Å; R398-C401 PolarHBondContact O-N 3.27Å; R398-C401 VanDerWaalsContact O-N 3.14Å; Q399-C401 VanDerWaalsContact C-N 3.32Å; Q399-C401 PolarHBondContact O-N 2.92Å; C401-M404 WeakPolarHBondContact O-CB 3.24Å; C401-M404 PolarHBondContact O-N 2.85Å; C401-L405 WeakPolarHBondContact O-CG 3.15Å; C401-L405 PolarHBondContact O-N 3.35Å |
| 402 | W | 93.4 | Very high | 91.6 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 41% | 0.409 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.3 | -74.8 | 109 | 0 | 0 | 0 | 112.1 | R398 Q399 M404 L405 E406 F419 | R398-W402 PolarHBondContact O-N 3.02Å; Q399-W402 PolarHBondContact O-N 2.77Å; W402-M404 VanDerWaalsContact C-N 3.27Å; W402-M404 PolarHBondContact O-N 3.36Å; W402-L405 PolarHBondContact O-N 3.5Å; W402-L405 VanDerWaalsContact O-N 3.17Å; W402-E406 WeakPolarHBondContact O-CB 3.25Å; W402-E406 PolarHBondContact O-N 2.91Å; W402-F419 HydrophobicContact CE3-CE1 4.31Å; W402-F419 HydrophobicContact CE3-CZ 4.31Å; W402-F419 AromaticContact CH2-CE1 3.41Å; W402-F419 HydrophobicContact CH2-CE1 3.41Å; W402-F419 VanDerWaalsContact CH2-CE1 3.41Å; W402-F419 AromaticContact CH2-CZ 3.37Å; W402-F419 HydrophobicContact CH2-CZ 3.37Å; W402-F419 HydrophobicContact CZ2-CZ 4.1Å; W402-F419 HydrophobicContact CZ3-CD1 4.4Å; W402-F419 AromaticContact CZ3-CE1 3.28Å; W402-F419 HydrophobicContact CZ3-CE1 3.28Å; W402-F419 AromaticContact CZ3-CZ 3.5Å; W402-F419 HydrophobicContact CZ3-CZ 3.5Å |
| 403 | Q | 94.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 29% | 0.29 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 174.7 | -70.9 | 175.1 | -6.1 | 0 | 0 | 112.1 | K368 Q399 A400 R407 | K368-Q403 HydrophobicContact CD-CB 4.19Å; Q399-Q403 WeakPolarHBondContact O-CG 3.42Å; Q399-Q403 PolarHBondContact O-N 3.47Å; A400-Q403 PolarHBondContact O-N 2.9Å; Q403-R407 WeakPolarHBondContact O-CG 3.45Å; Q403-R407 PolarHBondContact O-N 3.49Å; Q403-R407 VanDerWaalsContact O-N 3.16Å |
| 404 | M | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.8 | 178.7 | -140.4 | 70.2 | 0 | 0 | 111.8 | I353 I356 K368 L371 A372 V375 A400 C401 W402 R407 A408 | I353-M404 HydrophobicContact CD1-SD 4.06Å; I356-M404 HydrophobicContact CD1-CB 4.36Å; K368-M404 HydrophobicContact CB-CB 4.46Å; L371-M404 HydrophobicContact CB-CG 3.67Å; L371-M404 HydrophobicContact CB-SD 3.56Å; L371-M404 VanDerWaalsContact CB-SD 3.56Å; L371-M404 HydrophobicContact CD1-SD 4.21Å; L371-M404 HydrophobicContact CG-SD 4.39Å; A372-M404 HydrophobicContact CB-CG 4.39Å; V375-M404 HydrophobicContact CG2-CE 4.03Å; V375-M404 HydrophobicContact CG2-SD 4.38Å; A400-M404 PolarHBondContact O-N 3.32Å; A400-M404 VanDerWaalsContact O-N 3.08Å; C401-M404 WeakPolarHBondContact O-CB 3.24Å; C401-M404 PolarHBondContact O-N 2.85Å; W402-M404 VanDerWaalsContact C-N 3.27Å; W402-M404 PolarHBondContact O-N 3.36Å; M404-R407 PolarHBondContact O-N 3.12Å; M404-A408 PolarHBondContact O-N 3.47Å |
| 405 | L | 93.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 178.7 | -70.9 | 171.3 | 0 | 0 | 0 | 112.6 | V375 L383 C401 W402 A408 T409 F419 | V375-L405 HydrophobicContact CG1-CD2 4.4Å; L383-L405 HydrophobicContact CD2-CD2 3.68Å; C401-L405 WeakPolarHBondContact O-CG 3.15Å; C401-L405 PolarHBondContact O-N 3.35Å; W402-L405 PolarHBondContact O-N 3.5Å; W402-L405 VanDerWaalsContact O-N 3.17Å; L405-A408 PolarHBondContact O-N 3.3Å; L405-T409 WeakPolarHBondContact O-CB 2.95Å; L405-T409 PolarHBondContact O-N 3.03Å; L405-T409 PolarHBondContact O-OG1 2.93Å; L405-F419 HydrophobicContact CD1-CD2 3.77Å; L405-F419 HydrophobicContact CD1-CE1 4.45Å; L405-F419 HydrophobicContact CD1-CE2 3.36Å; L405-F419 HydrophobicContact CD1-CG 4.45Å; L405-F419 HydrophobicContact CD1-CZ 3.73Å; L405-F419 HydrophobicContact CD2-CD2 4.36Å |
| 406 | E | 94.2 | Very high | 92.2 | Very high | 133 Ų | 133 | 63.6 Ų | 63.6 | 62% | 0.621 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 174.7 | -174.4 | 175.4 | -158.4 | 0 | 0 | 110.7 | W402 A408 T409 T410 | W402-E406 WeakPolarHBondContact O-CB 3.25Å; W402-E406 PolarHBondContact O-N 2.91Å; E406-A408 VanDerWaalsContact C-N 3.29Å; E406-A408 PolarHBondContact O-N 2.93Å; E406-T409 WeakPolarHBondContact O-CB 3.18Å; E406-T409 PolarHBondContact O-N 3.07Å; E406-T409 VanDerWaalsContact O-N 3.14Å; E406-T410 PolarHBondContact O-N 3.41Å |
| 407 | R | 95.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -33.4 | 172.9 | -69.2 | -179.8 | -170.7 | -179.8 | 9.9 | 112.9 | D365 T369 A372 Q403 M404 T409 T410 L411 | D365-R407 PolarHBondContact O-NH1 2.95Å; D365-R407 IonicContact OD1-CZ 3.9Å; D365-R407 IonicContact OD1-NH1 3.95Å; D365-R407 IonicContact OD1-NH2 2.74Å; D365-R407 PolarHBondContact OD1-NH2 3.39Å; T369-R407 PolarHBondContact OG1-NH1 3.3Å; A372-R407 HydrophobicContact CB-CB 3.73Å; Q403-R407 WeakPolarHBondContact O-CG 3.45Å; Q403-R407 PolarHBondContact O-N 3.49Å; Q403-R407 VanDerWaalsContact O-N 3.16Å; M404-R407 PolarHBondContact O-N 3.12Å; R407-T409 VanDerWaalsContact C-N 3.34Å; R407-T410 PolarHBondContact O-OG1 3.48Å; R407-L411 WeakPolarHBondContact O-CG 3.48Å; R407-L411 PolarHBondContact O-N 3.01Å |
| 408 | A | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A372 V375 M404 L405 E406 L411 N412 V415 | A372-A408 HydrophobicContact CB-CB 4.15Å; V375-A408 HydrophobicContact CB-CB 3.98Å; V375-A408 HydrophobicContact CG1-CB 3.91Å; M404-A408 PolarHBondContact O-N 3.47Å; L405-A408 PolarHBondContact O-N 3.3Å; E406-A408 VanDerWaalsContact C-N 3.29Å; E406-A408 PolarHBondContact O-N 2.93Å; A408-L411 PolarHBondContact O-N 2.89Å; A408-N412 PolarHBondContact O-N 3.38Å; A408-V415 HydrophobicContact CB-CG1 4.13Å |
| 409 | T | 94.1 | Very high | 92.1 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67 | -36.2 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | L405 E406 R407 L411 N412 K416 | L405-T409 WeakPolarHBondContact O-CB 2.95Å; L405-T409 PolarHBondContact O-N 3.03Å; L405-T409 PolarHBondContact O-OG1 2.93Å; E406-T409 WeakPolarHBondContact O-CB 3.18Å; E406-T409 PolarHBondContact O-N 3.07Å; E406-T409 VanDerWaalsContact O-N 3.14Å; R407-T409 VanDerWaalsContact C-N 3.34Å; T409-L411 VanDerWaalsContact C-N 3.29Å; T409-L411 PolarHBondContact O-N 3.31Å; T409-N412 WeakPolarHBondContact CA-O 3.24Å; T409-N412 CarbonylContact O-C 3.41Å; T409-N412 VanDerWaalsContact O-C 3.27Å; T409-K416 HydrophobicContact CG2-CB 3.73Å; T409-K416 HydrophobicContact CG2-CD 4.35Å; T409-K416 HydrophobicContact CG2-CG 4.35Å |
| 410 | T | 94.6 | Very high | 91.8 | Very high | 116 Ų | 116 | 55.9 Ų | 55.9 | 71% | 0.712 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.2 | -29.2 | 175.2 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | E406 R407 | E406-T410 PolarHBondContact O-N 3.41Å; R407-T410 PolarHBondContact O-OG1 3.48Å |
| 411 | L | 93.1 | Very high | 91.5 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -79.8 | -36.6 | 175.4 | -67.6 | 173.2 | 0 | 0 | 0 | 112.7 | A372 R373 A376 R407 A408 T409 | A372-L411 HydrophobicContact CB-CD1 4.43Å; R373-L411 HydrophobicContact CG-CD1 3.99Å; A376-L411 HydrophobicContact CB-CB 3.76Å; A376-L411 HydrophobicContact CB-CD1 4.3Å; R407-L411 WeakPolarHBondContact O-CG 3.48Å; R407-L411 PolarHBondContact O-N 3.01Å; A408-L411 PolarHBondContact O-N 2.89Å; T409-L411 VanDerWaalsContact C-N 3.29Å; T409-L411 PolarHBondContact O-N 3.31Å |
| 412 | N | 90.9 | Very high | 91.3 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 24% | 0.235 | 29% | 0.294 | C | S | . | . | trans | -142.5 | 111.8 | 178.5 | -178.4 | -4.2 | 0 | 0 | 0 | 110.3 | A376 A408 T409 D414 V415 | A376-N412 HydrophobicContact CB-CB 3.97Å; A376-N412 PolarHBondContact O-ND2 3.12Å; A408-N412 PolarHBondContact O-N 3.38Å; T409-N412 WeakPolarHBondContact CA-O 3.24Å; T409-N412 CarbonylContact O-C 3.41Å; T409-N412 VanDerWaalsContact O-C 3.27Å; N412-D414 PolarHBondContact O-N 2.95Å; N412-D414 WeakPolarHBondContact OD1-CB 3.41Å; N412-D414 PolarHBondContact OD1-N 3.47Å; N412-D414 VanDerWaalsContact OD1-N 3.08Å; N412-V415 HydrophobicContact CB-CG2 3.91Å; N412-V415 WeakPolarHBondContact O-CB 3.19Å; N412-V415 VanDerWaalsContact O-CG2 3.32Å; N412-V415 WeakPolarHBondContact O-CG2 3.3Å; N412-V415 PolarHBondContact O-N 3.49Å; N412-V415 VanDerWaalsContact O-N 3.15Å | ||
| 413 | G | 89 | Confident | 91 | Very high | 53 Ų | 53 | 55 Ų | 55 | 55% | 0.546 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V415 K416 | G413-V415 PolarHBondContact O-N 3.39Å; G413-K416 PolarHBondContact O-N 3.26Å |
| 414 | D | 87.4 | Confident | 90.6 | Very high | 99 Ų | 99 | 56.4 Ų | 56.4 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66 | -23.1 | 179.1 | -65.8 | -20.5 | 0 | 0 | 0 | 112.5 | N412 K416 S417 Q418 | N412-D414 PolarHBondContact O-N 2.95Å; N412-D414 WeakPolarHBondContact OD1-CB 3.41Å; N412-D414 PolarHBondContact OD1-N 3.47Å; N412-D414 VanDerWaalsContact OD1-N 3.08Å; D414-K416 PolarHBondContact O-N 2.78Å; D414-S417 PolarHBondContact O-N 2.84Å; D414-S417 PolarHBondContact O-OG 3.49Å; D414-S417 VanDerWaalsContact O-OG 3.05Å; D414-Q418 WeakPolarHBondContact O-CB 3.18Å; D414-Q418 VanDerWaalsContact O-CG 3.3Å; D414-Q418 WeakPolarHBondContact O-CG 3.18Å; D414-Q418 PolarHBondContact O-N 2.91Å; D414-Q418 VanDerWaalsContact O-N 3.12Å |
| 415 | V | 89.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | V375 P379 A408 N412 G413 F419 | V375-V415 HydrophobicContact CG1-CG1 4.05Å; P379-V415 HydrophobicContact CB-CG2 4.08Å; A408-V415 HydrophobicContact CB-CG1 4.13Å; N412-V415 HydrophobicContact CB-CG2 3.91Å; N412-V415 WeakPolarHBondContact O-CB 3.19Å; N412-V415 VanDerWaalsContact O-CG2 3.32Å; N412-V415 WeakPolarHBondContact O-CG2 3.3Å; N412-V415 PolarHBondContact O-N 3.49Å; N412-V415 VanDerWaalsContact O-N 3.15Å; G413-V415 PolarHBondContact O-N 3.39Å; V415-F419 WeakPolarHBondContact O-CB 3.02Å; V415-F419 PolarHBondContact O-N 3.38Å |
| 416 | K | 89 | Confident | 89.8 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -52.1 | -177.8 | -169.7 | 177.5 | 177.6 | -177.2 | 0 | 111.9 | T409 G413 D414 Q418 F419 E420 | T409-K416 HydrophobicContact CG2-CB 3.73Å; T409-K416 HydrophobicContact CG2-CD 4.35Å; T409-K416 HydrophobicContact CG2-CG 4.35Å; G413-K416 PolarHBondContact O-N 3.26Å; D414-K416 PolarHBondContact O-N 2.78Å; K416-Q418 VanDerWaalsContact C-N 3.33Å; K416-Q418 PolarHBondContact O-N 2.9Å; K416-F419 PolarHBondContact O-N 3.21Å; K416-E420 WeakPolarHBondContact O-CG 3.36Å; K416-E420 PolarHBondContact O-N 2.67Å |
| 417 | S | 88.4 | Confident | 89.4 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | -178.7 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | D414 T421 | D414-S417 PolarHBondContact O-N 2.84Å; D414-S417 PolarHBondContact O-OG 3.49Å; D414-S417 VanDerWaalsContact O-OG 3.05Å; S417-T421 WeakPolarHBondContact O-CB 3.16Å; S417-T421 PolarHBondContact O-N 2.82Å; S417-T421 PolarHBondContact O-OG1 3.05Å |
| 418 | Q | 88.1 | Confident | 88.8 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 175.7 | -68.2 | -177.4 | 23.9 | 0 | 0 | 112.2 | P379 L383 D414 K416 T421 M422 | P379-Q418 VanDerWaalsContact CG-OE1 3.24Å; L383-Q418 HydrophobicContact CD1-CB 3.75Å; D414-Q418 WeakPolarHBondContact O-CB 3.18Å; D414-Q418 VanDerWaalsContact O-CG 3.3Å; D414-Q418 WeakPolarHBondContact O-CG 3.18Å; D414-Q418 PolarHBondContact O-N 2.91Å; D414-Q418 VanDerWaalsContact O-N 3.12Å; K416-Q418 VanDerWaalsContact C-N 3.33Å; K416-Q418 PolarHBondContact O-N 2.9Å; Q418-T421 PolarHBondContact O-N 3.26Å; Q418-M422 VanDerWaalsContact O-CB 3.25Å; Q418-M422 WeakPolarHBondContact O-CB 3.47Å; Q418-M422 PolarHBondContact O-N 3.42Å |
| 419 | F | 89.1 | Confident | 88.3 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 176.6 | 174.4 | -104.9 | 0 | 0 | 0 | 111.9 | L383 M387 W402 L405 V415 K416 T421 M422 K423 | L383-F419 HydrophobicContact CD1-CB 4.3Å; L383-F419 HydrophobicContact CD2-CB 4.04Å; L383-F419 HydrophobicContact CD2-CD2 3.76Å; L383-F419 HydrophobicContact CD2-CG 4.36Å; M387-F419 HydrophobicContact SD-CD2 4.46Å; M387-F419 HydrophobicContact SD-CE2 4.11Å; W402-F419 HydrophobicContact CE3-CE1 4.31Å; W402-F419 HydrophobicContact CE3-CZ 4.31Å; W402-F419 AromaticContact CH2-CE1 3.41Å; W402-F419 HydrophobicContact CH2-CE1 3.41Å; W402-F419 VanDerWaalsContact CH2-CE1 3.41Å; W402-F419 AromaticContact CH2-CZ 3.37Å; W402-F419 HydrophobicContact CH2-CZ 3.37Å; W402-F419 HydrophobicContact CZ2-CZ 4.1Å; W402-F419 HydrophobicContact CZ3-CD1 4.4Å; W402-F419 AromaticContact CZ3-CE1 3.28Å; W402-F419 HydrophobicContact CZ3-CE1 3.28Å; W402-F419 AromaticContact CZ3-CZ 3.5Å; W402-F419 HydrophobicContact CZ3-CZ 3.5Å; L405-F419 HydrophobicContact CD1-CD2 3.77Å; L405-F419 HydrophobicContact CD1-CE1 4.45Å; L405-F419 HydrophobicContact CD1-CE2 3.36Å; L405-F419 HydrophobicContact CD1-CG 4.45Å; L405-F419 HydrophobicContact CD1-CZ 3.73Å; L405-F419 HydrophobicContact CD2-CD2 4.36Å; V415-F419 WeakPolarHBondContact O-CB 3.02Å; V415-F419 PolarHBondContact O-N 3.38Å; K416-F419 PolarHBondContact O-N 3.21Å; F419-T421 VanDerWaalsContact C-N 3.3Å; F419-T421 PolarHBondContact O-N 3.01Å; F419-M422 PolarHBondContact O-N 3.05Å; F419-K423 HydrophobicContact CE1-CD 4.48Å; F419-K423 VanDerWaalsContact O-CB 3.26Å; F419-K423 WeakPolarHBondContact O-CB 3.37Å; F419-K423 PolarHBondContact O-N 2.94Å |
| 420 | E | 87.5 | Confident | 87.9 | Confident | 103 Ų | 103 | 49.8 Ų | 49.8 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 175.6 | -73.4 | 175 | -170.1 | 0 | 0 | 111.1 | K416 K423 N424 | K416-E420 WeakPolarHBondContact O-CG 3.36Å; K416-E420 PolarHBondContact O-N 2.67Å; E420-K423 PolarHBondContact O-N 3.42Å; E420-N424 VanDerWaalsContact O-CG 3.28Å; E420-N424 PolarHBondContact O-N 3.16Å; E420-N424 VanDerWaalsContact O-N 3.1Å; E420-N424 PolarHBondContact O-ND2 3.33Å |
| 421 | T | 87.2 | Confident | 87.2 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | S417 Q418 F419 K423 N424 F425 L459 S463 V465 | S417-T421 WeakPolarHBondContact O-CB 3.16Å; S417-T421 PolarHBondContact O-N 2.82Å; S417-T421 PolarHBondContact O-OG1 3.05Å; Q418-T421 PolarHBondContact O-N 3.26Å; F419-T421 VanDerWaalsContact C-N 3.3Å; F419-T421 PolarHBondContact O-N 3.01Å; T421-K423 VanDerWaalsContact C-N 3.33Å; T421-K423 PolarHBondContact O-N 3.29Å; T421-N424 PolarHBondContact O-N 3.29Å; T421-F425 WeakPolarHBondContact O-CB 3.29Å; T421-F425 PolarHBondContact O-N 3.43Å; T421-L459 HydrophobicContact CG2-CD2 4.07Å; T421-S463 WeakPolarHBondContact CB-OG 3.25Å; T421-S463 WeakPolarHBondContact CG2-O 3.33Å; T421-S463 PolarHBondContact OG1-OG 3.47Å; T421-V465 HydrophobicContact CG2-CG2 3.81Å |
| 422 | M | 88.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 179.4 | -174.5 | 66 | 78.1 | 0 | 0 | 111.7 | L383 W384 M387 Q418 F419 F425 V426 V465 | L383-M422 HydrophobicContact CB-CE 4.35Å; L383-M422 HydrophobicContact CB-CG 4.43Å; W384-M422 HydrophobicContact CD2-CE 3.76Å; W384-M422 HydrophobicContact CD2-SD 3.87Å; W384-M422 HydrophobicContact CE3-SD 4.07Å; W384-M422 HydrophobicContact CG-CE 3.82Å; W384-M422 HydrophobicContact CG-SD 4.49Å; W384-M422 HydrophobicContact CH2-SD 4.15Å; W384-M422 HydrophobicContact CZ2-CE 4.2Å; W384-M422 HydrophobicContact CZ2-SD 3.9Å; W384-M422 HydrophobicContact CZ3-SD 4.21Å; M387-M422 HydrophobicContact CG-CG 3.8Å; M387-M422 HydrophobicContact SD-CG 3.81Å; Q418-M422 VanDerWaalsContact O-CB 3.25Å; Q418-M422 WeakPolarHBondContact O-CB 3.47Å; Q418-M422 PolarHBondContact O-N 3.42Å; F419-M422 PolarHBondContact O-N 3.05Å; M422-F425 PolarHBondContact O-N 3.01Å; M422-F425 HydrophobicContact SD-CD1 4.39Å; M422-V426 HydrophobicContact CG-CG2 4.41Å; M422-V426 VanDerWaalsContact O-CB 3.26Å; M422-V426 WeakPolarHBondContact O-CB 3.41Å; M422-V426 WeakPolarHBondContact O-CG2 3.44Å; M422-V426 PolarHBondContact O-N 2.75Å; M422-V426 HydrophobicContact SD-CG2 4.4Å; M422-V465 HydrophobicContact CE-CG1 3.89Å; M422-V465 HydrophobicContact SD-CG1 4.09Å |
| 423 | K | 87.6 | Confident | 86.1 | Confident | 79 Ų | 79 | 44.8 Ų | 44.8 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -49.7 | 177.2 | -178 | -173.1 | 172.2 | -168.3 | 0 | 111.1 | M387 F419 E420 T421 F425 V426 E427 | M387-K423 HydrophobicContact CE-CB 4.43Å; F419-K423 HydrophobicContact CE1-CD 4.48Å; F419-K423 VanDerWaalsContact O-CB 3.26Å; F419-K423 WeakPolarHBondContact O-CB 3.37Å; F419-K423 PolarHBondContact O-N 2.94Å; E420-K423 PolarHBondContact O-N 3.42Å; T421-K423 VanDerWaalsContact C-N 3.33Å; T421-K423 PolarHBondContact O-N 3.29Å; K423-F425 VanDerWaalsContact C-N 3.32Å; K423-F425 PolarHBondContact O-N 3.32Å; K423-V426 PolarHBondContact O-N 3.11Å; K423-E427 WeakPolarHBondContact CE-OE1 3.31Å; K423-E427 WeakPolarHBondContact O-CG 3.47Å; K423-E427 PolarHBondContact O-N 3.43Å |
| 424 | N | 85.5 | Confident | 85.6 | Confident | 92 Ų | 92 | 48 Ų | 48 | 49% | 0.492 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 177.4 | -67.6 | -19.3 | 0 | 0 | 0 | 111.1 | E420 T421 V426 E427 L428 | E420-N424 VanDerWaalsContact O-CG 3.28Å; E420-N424 PolarHBondContact O-N 3.16Å; E420-N424 VanDerWaalsContact O-N 3.1Å; E420-N424 PolarHBondContact O-ND2 3.33Å; T421-N424 PolarHBondContact O-N 3.29Å; N424-V426 PolarHBondContact O-N 3.38Å; N424-E427 PolarHBondContact O-N 3.17Å; N424-L428 WeakPolarHBondContact O-CG 3.3Å; N424-L428 PolarHBondContact O-N 3.35Å; N424-L428 VanDerWaalsContact O-N 3.11Å |
| 425 | F | 86.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.7 | -177.3 | -111.8 | 0 | 0 | 0 | 112.6 | W384 T421 M422 K423 E427 L428 L429 F457 V465 I497 F500 | W384-F425 AromaticContact CH2-CD1 3.95Å; W384-F425 HydrophobicContact CH2-CD1 3.95Å; W384-F425 AromaticContact CH2-CE1 3.6Å; W384-F425 HydrophobicContact CH2-CE1 3.6Å; W384-F425 HydrophobicContact CZ2-CD1 4.21Å; W384-F425 AromaticContact CZ2-CE1 3.82Å; W384-F425 HydrophobicContact CZ2-CE1 3.82Å; T421-F425 WeakPolarHBondContact O-CB 3.29Å; T421-F425 PolarHBondContact O-N 3.43Å; M422-F425 PolarHBondContact O-N 3.01Å; M422-F425 HydrophobicContact SD-CD1 4.39Å; K423-F425 VanDerWaalsContact C-N 3.32Å; K423-F425 PolarHBondContact O-N 3.32Å; F425-E427 PolarHBondContact O-N 3.27Å; F425-L428 WeakPolarHBondContact O-CB 3.11Å; F425-L428 PolarHBondContact O-N 2.81Å; F425-L429 HydrophobicContact CD1-CD1 3.83Å; F425-L429 HydrophobicContact CD1-CG 4.47Å; F425-L429 HydrophobicContact CE1-CD1 3.43Å; F425-L429 VanDerWaalsContact CE1-CD1 3.43Å; F425-L429 HydrophobicContact CE1-CG 4.14Å; F425-L429 HydrophobicContact CZ-CD1 3.94Å; F425-L429 HydrophobicContact CZ-CD2 4.41Å; F425-L429 HydrophobicContact CZ-CG 4.22Å; F425-L429 PolarHBondContact O-N 3.19Å; F425-F457 AromaticContact CD2-CD1 3.74Å; F425-F457 HydrophobicContact CD2-CD1 3.74Å; F425-F457 AromaticContact CD2-CE1 3.75Å; F425-F457 HydrophobicContact CD2-CE1 3.75Å; F425-F457 AromaticContact CE2-CD1 3.54Å; F425-F457 HydrophobicContact CE2-CD1 3.54Å; F425-F457 AromaticContact CE2-CE1 3.52Å; F425-F457 HydrophobicContact CE2-CE1 3.52Å; F425-F457 HydrophobicContact CZ-CE1 4.37Å; F425-V465 HydrophobicContact CD1-CG1 4.03Å; F425-V465 HydrophobicContact CE1-CG1 4.15Å; F425-I497 HydrophobicContact CE1-CD1 3.86Å; F425-I497 HydrophobicContact CE2-CD1 4.28Å; F425-I497 HydrophobicContact CZ-CD1 3.49Å; F425-I497 VanDerWaalsContact CZ-CD1 3.49Å; F425-F500 AromaticContact CE2-CE2 3.86Å; F425-F500 HydrophobicContact CE2-CE2 3.86Å; F425-F500 AromaticContact CE2-CZ 3.58Å; F425-F500 HydrophobicContact CE2-CZ 3.58Å; F425-F500 HydrophobicContact CZ-CE2 4.43Å; F425-F500 AromaticContact CZ-CZ 3.74Å; F425-F500 HydrophobicContact CZ-CZ 3.74Å |
| 426 | V | 87 | Confident | 83.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.4 | 153.7 | 0 | 0 | 0 | 0 | 111.9 | W384 M387 M422 K423 N424 L428 L429 V430 I574 | W384-V426 HydrophobicContact CZ3-CG2 4.35Å; M387-V426 HydrophobicContact CB-CG2 4.41Å; M387-V426 HydrophobicContact CE-CB 3.85Å; M387-V426 HydrophobicContact CE-CG1 3.79Å; M387-V426 HydrophobicContact CE-CG2 3.89Å; M387-V426 HydrophobicContact CG-CG2 4.02Å; M422-V426 HydrophobicContact CG-CG2 4.41Å; M422-V426 VanDerWaalsContact O-CB 3.26Å; M422-V426 WeakPolarHBondContact O-CB 3.41Å; M422-V426 WeakPolarHBondContact O-CG2 3.44Å; M422-V426 PolarHBondContact O-N 2.75Å; M422-V426 HydrophobicContact SD-CG2 4.4Å; K423-V426 PolarHBondContact O-N 3.11Å; N424-V426 PolarHBondContact O-N 3.38Å; V426-L428 VanDerWaalsContact C-N 3.29Å; V426-L428 PolarHBondContact O-N 3.29Å; V426-L429 PolarHBondContact O-N 3.45Å; V426-V430 HydrophobicContact CG1-CG2 4.47Å; V426-V430 VanDerWaalsContact O-CG2 3.29Å; V426-V430 WeakPolarHBondContact O-CG2 3.44Å; V426-V430 PolarHBondContact O-N 3.07Å; V426-I574 HydrophobicContact CB-CG2 4.26Å; V426-I574 HydrophobicContact CG1-CG2 3.35Å; V426-I574 HydrophobicContact CG2-CG2 4.22Å |
| 427 | E | 84.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 174.6 | -76 | 177.9 | -167.9 | 0 | 0 | 112.2 | K423 N424 F425 V430 R431 | K423-E427 WeakPolarHBondContact CE-OE1 3.31Å; K423-E427 WeakPolarHBondContact O-CG 3.47Å; K423-E427 PolarHBondContact O-N 3.43Å; N424-E427 PolarHBondContact O-N 3.17Å; F425-E427 PolarHBondContact O-N 3.27Å; E427-V430 PolarHBondContact O-N 2.96Å; E427-R431 WeakPolarHBondContact O-CG 3.34Å; E427-R431 PolarHBondContact O-N 3.22Å |
| 428 | L | 82.2 | Confident | 79.9 | Confident | 35 Ų | 35 | 48 Ų | 48 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 173.7 | -66.1 | 166.3 | 0 | 0 | 0 | 112 | N424 F425 V426 R431 L432 F456 F457 | N424-L428 WeakPolarHBondContact O-CG 3.3Å; N424-L428 PolarHBondContact O-N 3.35Å; N424-L428 VanDerWaalsContact O-N 3.11Å; F425-L428 WeakPolarHBondContact O-CB 3.11Å; F425-L428 PolarHBondContact O-N 2.81Å; V426-L428 VanDerWaalsContact C-N 3.29Å; V426-L428 PolarHBondContact O-N 3.29Å; L428-R431 PolarHBondContact O-N 2.63Å; L428-L432 WeakPolarHBondContact O-CB 3.35Å; L428-L432 PolarHBondContact O-N 3.46Å; L428-F456 WeakPolarHBondContact CD1-O 3.37Å; L428-F456 HydrophobicContact CD2-CB 4.38Å; L428-F456 HydrophobicContact CD2-CD1 4.42Å; L428-F456 WeakPolarHBondContact CD2-O 3.41Å; L428-F457 HydrophobicContact CB-CD1 4.01Å; L428-F457 HydrophobicContact CB-CE1 3.37Å; L428-F457 HydrophobicContact CB-CE2 4.37Å; L428-F457 HydrophobicContact CB-CZ 3.59Å; L428-F457 HydrophobicContact CD1-CD1 3.8Å; L428-F457 HydrophobicContact CD1-CE1 4.03Å; L428-F457 HydrophobicContact CD1-CG 4.41Å; L428-F457 HydrophobicContact CG-CE1 4.35Å |
| 429 | L | 84.4 | Confident | 78.2 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 174.7 | -73.6 | 174.2 | 0 | 0 | 0 | 112.3 | W384 F425 V426 L432 C433 F457 I574 L580 | W384-L429 HydrophobicContact CH2-CD1 4.08Å; F425-L429 HydrophobicContact CD1-CD1 3.83Å; F425-L429 HydrophobicContact CD1-CG 4.47Å; F425-L429 HydrophobicContact CE1-CD1 3.43Å; F425-L429 VanDerWaalsContact CE1-CD1 3.43Å; F425-L429 HydrophobicContact CE1-CG 4.14Å; F425-L429 HydrophobicContact CZ-CD1 3.94Å; F425-L429 HydrophobicContact CZ-CD2 4.41Å; F425-L429 HydrophobicContact CZ-CG 4.22Å; F425-L429 PolarHBondContact O-N 3.19Å; V426-L429 PolarHBondContact O-N 3.45Å; L429-L432 WeakPolarHBondContact O-CB 3.31Å; L429-L432 PolarHBondContact O-N 2.85Å; L429-C433 PolarHBondContact O-N 3.47Å; L429-C433 PolarHBondContact O-SG 3.17Å; L429-F457 HydrophobicContact CD2-CE1 4.28Å; L429-F457 HydrophobicContact CD2-CZ 4.01Å; L429-F457 HydrophobicContact CG-CE1 4.28Å; L429-F457 HydrophobicContact CG-CZ 4.32Å; L429-I574 HydrophobicContact CB-CD1 4.02Å; L429-I574 HydrophobicContact CD1-CD1 3.7Å; L429-L580 HydrophobicContact CD1-CD1 3.77Å; L429-L580 HydrophobicContact CD1-CG 4.47Å; L429-L580 HydrophobicContact CD2-CD2 4.39Å |
| 430 | V | 85 | Confident | 76.2 | Confident | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.4 | V426 E427 L432 C433 E434 I574 | V426-V430 HydrophobicContact CG1-CG2 4.47Å; V426-V430 VanDerWaalsContact O-CG2 3.29Å; V426-V430 WeakPolarHBondContact O-CG2 3.44Å; V426-V430 PolarHBondContact O-N 3.07Å; E427-V430 PolarHBondContact O-N 2.96Å; V430-L432 VanDerWaalsContact C-N 3.26Å; V430-L432 PolarHBondContact O-N 3.39Å; V430-C433 WeakPolarHBondContact O-CA 3.39Å; V430-C433 WeakPolarHBondContact O-CB 3.31Å; V430-C433 PolarHBondContact O-N 2.89Å; V430-E434 HydrophobicContact CG1-CG 4.44Å; V430-E434 WeakPolarHBondContact O-CG 3.41Å; V430-E434 PolarHBondContact O-N 3.16Å; V430-I574 HydrophobicContact CG2-CG2 3.82Å |
| 431 | R | 81.7 | Confident | 74.4 | Confident | 144 Ų | 144 | 62.8 Ų | 62.8 | 54% | 0.543 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 174.8 | -71.9 | 174.5 | -174 | 178.4 | 5 | 111.4 | E427 L428 E434 Y435 | E427-R431 WeakPolarHBondContact O-CG 3.34Å; E427-R431 PolarHBondContact O-N 3.22Å; L428-R431 PolarHBondContact O-N 2.63Å; R431-E434 PolarHBondContact O-N 3.13Å; R431-Y435 VanDerWaalsContact O-CB 3.28Å; R431-Y435 WeakPolarHBondContact O-CB 3.38Å; R431-Y435 PolarHBondContact O-N 2.94Å |
| 432 | L | 80.6 | Confident | 72.5 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.8 | -175.1 | 142.5 | 0 | 0 | 0 | 111.6 | L428 L429 V430 E434 Y435 F457 I504 K514 I516 C530 | L428-L432 WeakPolarHBondContact O-CB 3.35Å; L428-L432 PolarHBondContact O-N 3.46Å; L429-L432 WeakPolarHBondContact O-CB 3.31Å; L429-L432 PolarHBondContact O-N 2.85Å; V430-L432 VanDerWaalsContact C-N 3.26Å; V430-L432 PolarHBondContact O-N 3.39Å; L432-E434 VanDerWaalsContact C-N 3.35Å; L432-E434 PolarHBondContact O-N 3.23Å; L432-Y435 PolarHBondContact O-N 2.94Å; L432-F457 HydrophobicContact CD1-CE2 4.1Å; L432-I504 HydrophobicContact CD1-CD1 3.84Å; L432-I504 HydrophobicContact CG-CD1 4.35Å; L432-K514 HydrophobicContact CD2-CB 4.36Å; L432-K514 HydrophobicContact CD2-CD 3.98Å; L432-K514 HydrophobicContact CG-CD 4.35Å; L432-K514 WeakPolarHBondContact O-CD 3.17Å; L432-K514 WeakPolarHBondContact O-CE 3.26Å; L432-K514 PolarHBondContact O-NZ 2.85Å; L432-I516 HydrophobicContact CD1-CG2 4.22Å; L432-I516 HydrophobicContact CD2-CG2 4Å; L432-C530 HydrophobicContact CD2-CB 3.83Å; L432-C530 WeakPolarHBondContact CD2-SG 3.3Å |
| 433 | C | 79.2 | Confident | 70.7 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 174.2 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | L429 V430 K514 N532 C578 | L429-C433 PolarHBondContact O-N 3.47Å; L429-C433 PolarHBondContact O-SG 3.17Å; V430-C433 WeakPolarHBondContact O-CA 3.39Å; V430-C433 WeakPolarHBondContact O-CB 3.31Å; V430-C433 PolarHBondContact O-N 2.89Å; C433-K514 PolarHBondContact O-NZ 3.5Å; C433-N532 HydrophobicContact CB-CB 4.11Å; C433-N532 WeakPolarHBondContact O-CB 3.27Å; C433-N532 PolarHBondContact O-ND2 2.81Å; C433-C578 HydrophobicContact CB-CB 4.31Å |
| 434 | E | 78.1 | Confident | 69.1 | Low | 120 Ų | 120 | 75.3 Ų | 75.3 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -75.6 | -21.4 | -179 | -70.3 | 175.3 | 176.1 | 0 | 0 | 114.3 | V430 R431 L432 V436 | V430-E434 HydrophobicContact CG1-CG 4.44Å; V430-E434 WeakPolarHBondContact O-CG 3.41Å; V430-E434 PolarHBondContact O-N 3.16Å; R431-E434 PolarHBondContact O-N 3.13Å; L432-E434 VanDerWaalsContact C-N 3.35Å; L432-E434 PolarHBondContact O-N 3.23Å; E434-V436 VanDerWaalsContact C-N 3.25Å; E434-V436 PolarHBondContact O-N 3.44Å |
| 435 | Y | 71 | Confident | 67.3 | Low | 75 Ų | 75 | 77.6 Ų | 77.6 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 74.7 | -176.7 | -172.6 | -96.3 | 0 | 0 | 0 | 113.1 | R431 L432 S438 H451 K514 | R431-Y435 VanDerWaalsContact O-CB 3.28Å; R431-Y435 WeakPolarHBondContact O-CB 3.38Å; R431-Y435 PolarHBondContact O-N 2.94Å; L432-Y435 PolarHBondContact O-N 2.94Å; Y435-S438 PolarHBondContact OH-OG 3.41Å; Y435-H451 AromaticContact CE1-CD2 3.9Å; Y435-H451 AromaticContact CZ-CD2 3.78Å; Y435-H451 AromaticContact CZ-NE2 3.47Å; Y435-H451 PolarHBondContact OH-CD2 3.18Å; Y435-H451 PolarHBondContact OH-NE2 2.99Å; Y435-K514 WeakPolarHBondContact O-CE 3.42Å; Y435-K514 PolarHBondContact O-NZ 3.01Å |
| 436 | V | 60.4 | Low | 65.4 | Low | 37 Ų | 37 | 82.8 Ų | 82.8 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -19.8 | 175.4 | -176 | 0 | 0 | 0 | 0 | 110.8 | E434 S438 L439 K512 K514 | E434-V436 VanDerWaalsContact C-N 3.25Å; E434-V436 PolarHBondContact O-N 3.44Å; V436-S438 PolarHBondContact O-N 3.22Å; V436-S438 VanDerWaalsContact O-N 3.14Å; V436-L439 PolarHBondContact O-N 2.87Å; V436-K512 HydrophobicContact CG1-CD 4.12Å; V436-K514 VanDerWaalsContact CG2-NZ 3.27Å |
| 437 | A | 53.2 | Low | 63.8 | Low | 93 Ų | 93 | 86.6 Ų | 86.6 | 77% | 0.769 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 438 | S | 51.2 | Low | 62.3 | Low | 67 Ų | 67 | 89.3 Ų | 89.3 | 47% | 0.469 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -12.4 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 115 | Y435 V436 R440 | Y435-S438 PolarHBondContact OH-OG 3.41Å; V436-S438 PolarHBondContact O-N 3.22Å; V436-S438 VanDerWaalsContact O-N 3.14Å; S438-R440 VanDerWaalsContact C-N 3.34Å; S438-R440 PolarHBondContact O-N 2.9Å |
| 439 | L | 51.5 | Low | 60.9 | Low | 31 Ų | 31 | 88.9 Ų | 88.9 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -84.2 | -1.3 | -173.8 | -63.7 | 170.8 | 0 | 0 | 0 | 114.2 | V436 K441 L442 V449 V506 | V436-L439 PolarHBondContact O-N 2.87Å; L439-K441 PolarHBondContact O-N 3.18Å; L439-L442 HydrophobicContact CB-CD1 4.44Å; L439-L442 HydrophobicContact CD2-CD1 3.28Å; L439-L442 HydrophobicContact CG-CD1 4.44Å; L439-L442 PolarHBondContact O-N 3.16Å; L439-V449 HydrophobicContact CD1-CG2 4.44Å; L439-V449 HydrophobicContact CD2-CG1 4.45Å; L439-V449 HydrophobicContact CD2-CG2 3.78Å; L439-V506 HydrophobicContact CD1-CG2 4.35Å |
| 440 | R | 48.6 | Very low | 59.3 | Low | 231 Ų | 231 | 98.3 Ų | 98.3 | 87% | 0.872 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -61.7 | -9.6 | 177.5 | -73 | -174.2 | -176.6 | 175.5 | 1.3 | 114 | S438 | S438-R440 VanDerWaalsContact C-N 3.34Å; S438-R440 PolarHBondContact O-N 2.9Å |
| 441 | K | 48.9 | Very low | 57.7 | Low | 203 Ų | 203 | 99.9 Ų | 99.9 | 88% | 0.883 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -100.2 | -1.9 | 179.9 | -68 | -171.6 | 177.5 | -176.1 | 0 | 115.2 | L439 | L439-K441 PolarHBondContact O-N 3.18Š|
| 442 | L | 47.6 | Very low | 56.4 | Low | 87 Ų | 87 | 95.5 Ų | 95.5 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -86.8 | 143.2 | -178.9 | -81.9 | 147.7 | 0 | 0 | 0 | 112.3 | L439 | L439-L442 HydrophobicContact CB-CD1 4.44Å; L439-L442 HydrophobicContact CD2-CD1 3.28Å; L439-L442 HydrophobicContact CG-CD1 4.44Å; L439-L442 PolarHBondContact O-N 3.16Å |
| 443 | P | 49.5 | Very low | 55.1 | Low | 87 Ų | 87 | 95 Ų | 95 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | trans | -57.3 | 145.4 | 175 | -17.5 | 29 | 0 | 0 | 0 | 110.8 | N445 D446 | P443-N445 PolarHBondContact O-N 3.28Å; P443-D446 PolarHBondContact O-N 2.96Å | ||
| 444 | K | 54.1 | Low | 53.9 | Low | 189 Ų | 189 | 102.7 Ų | 102.7 | 82% | 0.822 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -3.2 | -175.9 | -73.7 | 179.8 | 176.3 | 176.2 | 0 | 116 | F447 | K444-F447 WeakPolarHBondContact O-CE2 3.46Å; K444-F447 WeakPolarHBondContact O-CZ 3.41Å |
| 445 | N | 48.1 | Very low | 52.6 | Low | 139 Ų | 139 | 107.2 Ų | 107.2 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -11.6 | -173.6 | -71.4 | -0.7 | 0 | 0 | 0 | 114.9 | P443 F447 | P443-N445 PolarHBondContact O-N 3.28Å; N445-F447 PolarHBondContact O-N 3.45Å |
| 446 | D | 46.5 | Very low | 51.6 | Low | 112 Ų | 112 | 107.3 Ų | 107.3 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | trans | -98 | 91.4 | 176.8 | -91.1 | -20.9 | 0 | 0 | 0 | 110.7 | P443 | P443-D446 PolarHBondContact O-N 2.96Š| ||
| 447 | F | 53.1 | Low | 51.4 | Low | 80 Ų | 80 | 106.2 Ų | 106.2 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | trans | -93 | -4.1 | -179.8 | -65.4 | -82.3 | 0 | 0 | 0 | 113.9 | K444 N445 V506 N508 | K444-F447 WeakPolarHBondContact O-CE2 3.46Å; K444-F447 WeakPolarHBondContact O-CZ 3.41Å; N445-F447 PolarHBondContact O-N 3.45Å; F447-V506 WeakPolarHBondContact CD1-O 3.5Å; F447-V506 PolarHBondContact O-N 3.35Å; F447-V506 VanDerWaalsContact O-N 3.09Å; F447-N508 HydrophobicContact CE1-CB 4.04Å; F447-N508 HydrophobicContact CZ-CB 4.42Å | ||
| 448 | Q | 52.9 | Low | 51.4 | Low | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 100.5 | 174.5 | -72.9 | -173.4 | -2.6 | 0 | 0 | 109.6 | R450 | Q448-R450 PolarHBondContact O-N 3.33Å |
| 449 | V | 53 | Low | 51.4 | Low | 26 Ų | 26 | 106.6 Ų | 106.6 | 16% | 0.158 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 106.9 | 171.7 | -172.3 | 0 | 0 | 0 | 0 | 106.9 | L439 H451 I504 V506 | L439-V449 HydrophobicContact CD1-CG2 4.44Å; L439-V449 HydrophobicContact CD2-CG1 4.45Å; L439-V449 HydrophobicContact CD2-CG2 3.78Å; V449-H451 HydrophobicContact CG1-CB 4.11Å; V449-H451 PolarHBondContact O-N 2.82Å; V449-I504 PolarHBondContact N-O 3.15Å; V449-I504 VanDerWaalsContact N-O 3.16Å; V449-I504 PolarHBondContact O-N 3.18Å; V449-V506 HydrophobicContact CG2-CG2 4.36Å |
| 450 | R | 50.5 | Low | 51.3 | Low | 199 Ų | 199 | 107.6 Ų | 107.6 | 75% | 0.751 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 83.3 | 164.7 | -73.8 | -174.5 | -176.7 | -178.1 | 2.1 | 107.7 | Q448 Q503 | Q448-R450 PolarHBondContact O-N 3.33Å; R450-Q503 HydrophobicContact CG-CG 4.28Å |
| 451 | H | 52.8 | Low | 51.4 | Low | 45 Ų | 45 | 105.4 Ų | 105.4 | 21% | 0.208 | 52% | 0.516 | C | S | . | . | trans | -99.3 | 137.5 | 174 | -143.4 | -73.8 | 0 | 0 | 0 | 107.6 | Y435 V449 I453 F456 D502 | Y435-H451 AromaticContact CE1-CD2 3.9Å; Y435-H451 AromaticContact CZ-CD2 3.78Å; Y435-H451 AromaticContact CZ-NE2 3.47Å; Y435-H451 PolarHBondContact OH-CD2 3.18Å; Y435-H451 PolarHBondContact OH-NE2 2.99Å; V449-H451 HydrophobicContact CG1-CB 4.11Å; V449-H451 PolarHBondContact O-N 2.82Å; H451-I453 PolarHBondContact O-N 2.72Å; H451-F456 AromaticContact CE1-CE2 3.78Å; H451-F456 AromaticContact ND1-CE2 3.74Å; H451-D502 PolarHBondContact N-O 3.45Å | ||
| 452 | P | 52.6 | Low | 52 | Low | 52 Ų | 52 | 98.7 Ų | 98.7 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | trans | -70.3 | 76.9 | 170.7 | 28.9 | -34.4 | 0 | 0 | 0 | 108.7 | R454 R455 | P452-R454 PolarHBondContact O-N 2.64Å; P452-R455 HydrophobicContact CB-CG 4.11Å; P452-R455 HydrophobicContact CG-CG 4.39Å; P452-R455 WeakPolarHBondContact O-CB 3.45Å; P452-R455 PolarHBondContact O-N 2.89Å | ||
| 453 | I | 54 | Low | 53 | Low | 2 Ų | 2 | 95.9 Ų | 95.9 | 1% | 0.01 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -58.8 | -30.5 | 174 | -58.7 | 174 | 0 | 0 | 0 | 109.4 | H451 R455 F456 F457 F500 A501 I504 | H451-I453 PolarHBondContact O-N 2.72Å; I453-R455 PolarHBondContact O-N 3.45Å; I453-R455 VanDerWaalsContact O-N 3.08Å; I453-F456 WeakPolarHBondContact O-CA 3.18Å; I453-F456 WeakPolarHBondContact O-CB 3.43Å; I453-F456 PolarHBondContact O-N 2.93Å; I453-F457 HydrophobicContact CG2-CD2 3.4Å; I453-F457 HydrophobicContact CG2-CE2 3.77Å; I453-F457 PolarHBondContact O-N 3.46Å; I453-F500 HydrophobicContact CB-CB 4.46Å; I453-F500 HydrophobicContact CG2-CB 3.82Å; I453-F500 HydrophobicContact CG2-CD1 4.45Å; I453-F500 HydrophobicContact CG2-CG 4.09Å; I453-A501 VanDerWaalsContact CD1-O 3.26Å; I453-A501 WeakPolarHBondContact CD1-O 3.18Å; I453-I504 HydrophobicContact CD1-CD1 3.48Å; I453-I504 VanDerWaalsContact CD1-CD1 3.48Å; I453-I504 HydrophobicContact CD1-CG1 3.13Å; I453-I504 HydrophobicContact CG1-CD1 3.82Å; I453-I504 HydrophobicContact CG1-CG1 3.89Å |
| 454 | R | 54.4 | Low | 54.5 | Low | 164 Ų | 164 | 95.1 Ų | 95.1 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -47.8 | -35.9 | 169.5 | -74.7 | -175.9 | -179.3 | -138.7 | 0.5 | 112.7 | P452 F456 F457 C458 D502 | P452-R454 PolarHBondContact O-N 2.64Å; R454-F456 VanDerWaalsContact C-N 3.34Å; R454-F456 PolarHBondContact O-N 3.34Å; R454-F457 CarbonylContact O-C 3.45Å; R454-F457 PolarHBondContact O-N 3.13Å; R454-C458 PolarHBondContact O-N 2.87Å; R454-C458 VanDerWaalsContact O-N 3.14Å; R454-C458 PolarHBondContact O-SG 3.29Å; R454-D502 WeakPolarHBondContact CG-OD1 3.24Å; R454-D502 IonicContact NE-OD1 3.57Å |
| 455 | R | 50.6 | Low | 56 | Low | 215 Ų | 215 | 86.3 Ų | 86.3 | 81% | 0.811 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -69 | -28.9 | 175.7 | -71.7 | -177.3 | -178.2 | 175.5 | 0.2 | 113.7 | P452 I453 | P452-R455 HydrophobicContact CB-CG 4.11Å; P452-R455 HydrophobicContact CG-CG 4.39Å; P452-R455 WeakPolarHBondContact O-CB 3.45Å; P452-R455 PolarHBondContact O-N 2.89Å; I453-R455 PolarHBondContact O-N 3.45Å; I453-R455 VanDerWaalsContact O-N 3.08Å |
| 456 | F | 51 | Low | 58 | Low | 77 Ų | 77 | 79.8 Ų | 79.8 | 34% | 0.338 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -35.8 | 174.9 | -72.7 | -73.8 | 0 | 0 | 0 | 111.6 | L428 H451 I453 R454 | L428-F456 WeakPolarHBondContact CD1-O 3.37Å; L428-F456 HydrophobicContact CD2-CB 4.38Å; L428-F456 HydrophobicContact CD2-CD1 4.42Å; L428-F456 WeakPolarHBondContact CD2-O 3.41Å; H451-F456 AromaticContact CE1-CE2 3.78Å; H451-F456 AromaticContact ND1-CE2 3.74Å; I453-F456 WeakPolarHBondContact O-CA 3.18Å; I453-F456 WeakPolarHBondContact O-CB 3.43Å; I453-F456 PolarHBondContact O-N 2.93Å; R454-F456 VanDerWaalsContact C-N 3.34Å; R454-F456 PolarHBondContact O-N 3.34Å |
| 457 | F | 56.5 | Low | 60.1 | Low | 14 Ų | 14 | 74.5 Ų | 74.5 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | trans | -120.2 | 40.6 | -169.7 | -63.3 | -89.5 | 0 | 0 | 0 | 113.8 | F425 L428 L429 L432 I453 R454 L459 F500 | F425-F457 AromaticContact CD2-CD1 3.74Å; F425-F457 HydrophobicContact CD2-CD1 3.74Å; F425-F457 AromaticContact CD2-CE1 3.75Å; F425-F457 HydrophobicContact CD2-CE1 3.75Å; F425-F457 AromaticContact CE2-CD1 3.54Å; F425-F457 HydrophobicContact CE2-CD1 3.54Å; F425-F457 AromaticContact CE2-CE1 3.52Å; F425-F457 HydrophobicContact CE2-CE1 3.52Å; F425-F457 HydrophobicContact CZ-CE1 4.37Å; L428-F457 HydrophobicContact CB-CD1 4.01Å; L428-F457 HydrophobicContact CB-CE1 3.37Å; L428-F457 HydrophobicContact CB-CE2 4.37Å; L428-F457 HydrophobicContact CB-CZ 3.59Å; L428-F457 HydrophobicContact CD1-CD1 3.8Å; L428-F457 HydrophobicContact CD1-CE1 4.03Å; L428-F457 HydrophobicContact CD1-CG 4.41Å; L428-F457 HydrophobicContact CG-CE1 4.35Å; L429-F457 HydrophobicContact CD2-CE1 4.28Å; L429-F457 HydrophobicContact CD2-CZ 4.01Å; L429-F457 HydrophobicContact CG-CE1 4.28Å; L429-F457 HydrophobicContact CG-CZ 4.32Å; L432-F457 HydrophobicContact CD1-CE2 4.1Å; I453-F457 HydrophobicContact CG2-CD2 3.4Å; I453-F457 HydrophobicContact CG2-CE2 3.77Å; I453-F457 PolarHBondContact O-N 3.46Å; R454-F457 CarbonylContact O-C 3.45Å; R454-F457 PolarHBondContact O-N 3.13Å; F457-L459 PolarHBondContact O-N 3.08Å; F457-F500 HydrophobicContact CB-CD2 3.52Å; F457-F500 HydrophobicContact CB-CE2 3.61Å; F457-F500 HydrophobicContact CD1-CD2 4.27Å; F457-F500 AromaticContact CD1-CE2 3.57Å; F457-F500 HydrophobicContact CD1-CE2 3.57Å; F457-F500 AromaticContact CD1-CZ 3.91Å; F457-F500 HydrophobicContact CD1-CZ 3.91Å; F457-F500 HydrophobicContact CD2-CD2 4.11Å; F457-F500 HydrophobicContact CD2-CE2 4.15Å; F457-F500 HydrophobicContact CD2-CG 4.47Å; F457-F500 HydrophobicContact CE1-CE2 4.21Å; F457-F500 HydrophobicContact CE1-CZ 4.08Å; F457-F500 AromaticContact CG-CD2 3.73Å; F457-F500 HydrophobicContact CG-CD2 3.73Å; F457-F500 AromaticContact CG-CE2 3.51Å; F457-F500 HydrophobicContact CG-CE2 3.51Å; F457-F500 HydrophobicContact CG-CZ 4.13Å; F457-F500 HydrophobicContact CZ-CZ 4.45Å | ||
| 458 | C | 51.3 | Low | 62 | Low | 109 Ų | 109 | 70.7 Ų | 70.7 | 74% | 0.736 | 36% | 0.359 | S | S | * | . | trans | -68.3 | 79.1 | 158.4 | -75 | 0 | 0 | 0 | 0 | 108.3 | R454 G460 | R454-C458 PolarHBondContact O-N 2.87Å; R454-C458 VanDerWaalsContact O-N 3.14Å; R454-C458 PolarHBondContact O-SG 3.29Å; C458-G460 VanDerWaalsContact C-N 3.34Å; C458-G460 PolarHBondContact O-N 3.01Å | ||
| 459 | L | 52.3 | Low | 63.7 | Low | 59 Ų | 59 | 65.4 Ų | 65.4 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | trans | -60.4 | 104.6 | 157.6 | -73.9 | 150.7 | 0 | 0 | 0 | 104.5 | T421 F457 V465 | T421-L459 HydrophobicContact CG2-CD2 4.07Å; F457-L459 PolarHBondContact O-N 3.08Å; L459-V465 HydrophobicContact CD2-CG2 4.4Å | ||
| 460 | G | 49.3 | Very low | 65.4 | Low | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 34% | 0.336 | S | S | . | . | trans | -65.7 | -146.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | C458 S462 | C458-G460 VanDerWaalsContact C-N 3.34Å; C458-G460 PolarHBondContact O-N 3.01Å; G460-S462 PolarHBondContact O-N 3.32Å | ||
| 461 | N | 50.9 | Low | 66.9 | Low | 185 Ų | 185 | 60.2 Ų | 60.2 | 99% | 0.989 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -65.3 | 31.3 | 169.3 | -72.6 | -10.5 | 0 | 0 | 0 | 113.8 | ||
| 462 | S | 61.7 | Low | 68.5 | Low | 61 Ų | 61 | 58.1 Ų | 58.1 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 153.3 | 177.7 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | G460 | G460-S462 PolarHBondContact O-N 3.32Š|
| 463 | S | 67.5 | Low | 70 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 140.4 | 178.5 | 62 | 0 | 0 | 0 | 0 | 111.6 | T421 V465 | T421-S463 WeakPolarHBondContact CB-OG 3.25Å; T421-S463 WeakPolarHBondContact CG2-O 3.33Å; T421-S463 PolarHBondContact OG1-OG 3.47Å; S463-V465 PolarHBondContact O-N 2.98Å |
| 464 | P | 81.2 | Confident | 71.2 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 136.9 | -176.8 | 27.4 | -34.8 | 0 | 0 | 0 | 110.4 | Q380 Y496 | Q380-P464 PolarHBondContact NE2-O 3.03Å; Q380-P464 PolarHBondContact OE1-O 3.27Å; P464-Y496 HydrophobicContact CB-CD1 3.7Å; P464-Y496 HydrophobicContact CB-CE1 4.32Å; P464-Y496 HydrophobicContact CB-CG 3.83Å; P464-Y496 HydrophobicContact CG-CD1 4.13Å; P464-Y496 HydrophobicContact CG-CE1 4.24Å; P464-Y496 HydrophobicContact CG-CG 4.46Å |
| 465 | V | 86.7 | Confident | 72 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 126.4 | 179.1 | 179 | 0 | 0 | 0 | 0 | 109.7 | W384 T421 M422 F425 L459 S463 L467 Y496 I497 | W384-V465 HydrophobicContact CZ2-CG1 3.98Å; T421-V465 HydrophobicContact CG2-CG2 3.81Å; M422-V465 HydrophobicContact CE-CG1 3.89Å; M422-V465 HydrophobicContact SD-CG1 4.09Å; F425-V465 HydrophobicContact CD1-CG1 4.03Å; F425-V465 HydrophobicContact CE1-CG1 4.15Å; L459-V465 HydrophobicContact CD2-CG2 4.4Å; S463-V465 PolarHBondContact O-N 2.98Å; V465-L467 PolarHBondContact O-N 2.89Å; V465-Y496 WeakPolarHBondContact O-CA 3.5Å; V465-I497 HydrophobicContact CB-CD1 4.39Å; V465-I497 HydrophobicContact CG1-CD1 4.09Å; V465-I497 WeakPolarHBondContact O-CG1 3.44Å; V465-I497 PolarHBondContact O-N 3.05Å |
| 466 | L | 90.2 | Very high | 72.6 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -60.7 | 133.4 | 176.1 | -169.3 | 74.3 | 0 | 0 | 0 | 109.6 | Q380 Q381 W384 P468 M473 L495 Y496 | Q380-L466 HydrophobicContact CB-CB 3.81Å; Q380-L466 HydrophobicContact CB-CD2 4.36Å; Q381-L466 HydrophobicContact CG-CD2 3.84Å; W384-L466 PolarHBondContact NE1-O 3.24Å; L466-P468 WeakPolarHBondContact O-CD 3.37Å; L466-M473 HydrophobicContact CD2-SD 4.21Å; L466-L495 WeakPolarHBondContact CD1-O 3.38Å; L466-Y496 HydrophobicContact CD1-CE1 4.47Å |
| 467 | L | 90.6 | Very high | 73.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 122.7 | 169.8 | -177.8 | 68.1 | 0 | 0 | 0 | 109.1 | V465 L469 T472 L495 I497 I518 Y526 M528 | V465-L467 PolarHBondContact O-N 2.89Å; L467-L469 VanDerWaalsContact C-N 3.29Å; L467-L469 HydrophobicContact CD2-CD1 3.8Å; L467-L469 HydrophobicContact CD2-CD2 3.88Å; L467-L469 HydrophobicContact CD2-CG 3.7Å; L467-L469 HydrophobicContact CG-CD1 4.44Å; L467-L469 HydrophobicContact CG-CD2 4.12Å; L467-L469 HydrophobicContact CG-CG 3.86Å; L467-L469 PolarHBondContact O-N 3.38Å; L467-T472 PolarHBondContact O-OG1 3.36Å; L467-L495 HydrophobicContact CB-CD2 4.39Å; L467-L495 HydrophobicContact CD2-CD2 3.76Å; L467-L495 PolarHBondContact N-O 2.77Å; L467-I497 HydrophobicContact CB-CG1 3.95Å; L467-I497 HydrophobicContact CD1-CD1 4.2Å; L467-I497 HydrophobicContact CD1-CG1 3.96Å; L467-I518 HydrophobicContact CD1-CB 4.16Å; L467-I518 HydrophobicContact CD1-CD1 3.62Å; L467-I518 HydrophobicContact CD1-CG1 4.47Å; L467-I518 HydrophobicContact CD1-CG2 3.91Å; L467-Y526 HydrophobicContact CD2-CD1 4.25Å; L467-Y526 HydrophobicContact CD2-CD2 3.71Å; L467-Y526 HydrophobicContact CD2-CE2 4.46Å; L467-Y526 HydrophobicContact CD2-CG 3.58Å; L467-M528 HydrophobicContact CD1-SD 3.93Å |
| 468 | P | 91.3 | Very high | 73.4 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | trans | -81.3 | 73.8 | -175.3 | 32.4 | -33.3 | 0 | 0 | 0 | 111.3 | W384 L466 M473 M528 T570 L580 | W384-P468 HydrophobicContact CD2-CB 4.31Å; W384-P468 HydrophobicContact CD2-CG 4.36Å; W384-P468 HydrophobicContact CG-CB 4.47Å; W384-P468 HydrophobicContact CH2-CG 4.12Å; W384-P468 HydrophobicContact CZ2-CG 3.79Å; L466-P468 WeakPolarHBondContact O-CD 3.37Å; P468-M473 HydrophobicContact CB-CG 4.25Å; P468-M473 HydrophobicContact CB-SD 4.32Å; P468-M528 HydrophobicContact CG-CE 3.99Å; P468-M528 HydrophobicContact CG-SD 4.26Å; P468-M528 WeakPolarHBondContact O-CE 3.38Å; P468-T570 WeakPolarHBondContact O-CG2 3.47Å; P468-L580 HydrophobicContact CG-CD1 4.38Å | ||
| 469 | L | 90.4 | Very high | 73.6 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | trans | -94.5 | 164.2 | 170.6 | -59.1 | 179.6 | 0 | 0 | 0 | 110.7 | L467 S471 T472 M473 L495 Y526 E582 | L467-L469 VanDerWaalsContact C-N 3.29Å; L467-L469 HydrophobicContact CD2-CD1 3.8Å; L467-L469 HydrophobicContact CD2-CD2 3.88Å; L467-L469 HydrophobicContact CD2-CG 3.7Å; L467-L469 HydrophobicContact CG-CD1 4.44Å; L467-L469 HydrophobicContact CG-CD2 4.12Å; L467-L469 HydrophobicContact CG-CG 3.86Å; L467-L469 PolarHBondContact O-N 3.38Å; L469-S471 VanDerWaalsContact C-N 3.26Å; L469-S471 PolarHBondContact O-N 2.83Å; L469-T472 HydrophobicContact CB-CG2 4.21Å; L469-T472 PolarHBondContact N-OG1 3.29Å; L469-T472 PolarHBondContact O-N 3.4Å; L469-T472 VanDerWaalsContact O-N 3.09Å; L469-T472 PolarHBondContact O-OG1 2.83Å; L469-M473 WeakPolarHBondContact O-CB 3.4Å; L469-M473 WeakPolarHBondContact O-CG 3.48Å; L469-M473 PolarHBondContact O-N 3.43Å; L469-L495 HydrophobicContact CD1-CD2 3.55Å; L469-Y526 HydrophobicContact CD1-CD1 3.52Å; L469-Y526 HydrophobicContact CD1-CE1 3.54Å; L469-Y526 HydrophobicContact CD1-CG 4.23Å; L469-Y526 HydrophobicContact CD2-CD1 4.17Å; L469-Y526 HydrophobicContact CG-CD1 4.46Å; L469-E582 HydrophobicContact CD2-CG 4.27Å | ||
| 470 | Q | 87.3 | Confident | 73.6 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 178.3 | -170.2 | 179.4 | 1 | 0 | 0 | 111.4 | T472 M473 E474 T568 T570 E582 | Q470-T472 PolarHBondContact O-N 2.7Å; Q470-M473 PolarHBondContact O-N 2.68Å; Q470-E474 HydrophobicContact CG-CG 4.23Å; Q470-E474 WeakPolarHBondContact CG-OE1 3.42Å; Q470-E474 WeakPolarHBondContact CG-OE2 3.42Å; Q470-E474 PolarHBondContact NE2-OE1 3.33Å; Q470-E474 PolarHBondContact NE2-OE2 3.1Å; Q470-E474 WeakPolarHBondContact O-CB 3.46Å; Q470-E474 PolarHBondContact O-N 3.29Å; Q470-T568 PolarHBondContact NE2-OG1 3.41Å; Q470-T568 PolarHBondContact OE1-O 2.96Å; Q470-T570 WeakPolarHBondContact CA-OG1 3.47Å; Q470-T570 WeakPolarHBondContact CB-OG1 3.36Å; Q470-T570 PolarHBondContact N-OG1 3.48Å; Q470-E582 PolarHBondContact N-OE2 3Å |
| 471 | S | 82.7 | Confident | 73.7 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -21.3 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | L469 P492 | L469-S471 VanDerWaalsContact C-N 3.26Å; L469-S471 PolarHBondContact O-N 2.83Å; S471-P492 WeakPolarHBondContact O-CB 3.38Å |
| 472 | T | 85.2 | Confident | 73.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -99.2 | -26.9 | -178.4 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | L467 L469 Q470 P492 H493 L495 | L467-T472 PolarHBondContact O-OG1 3.36Å; L469-T472 HydrophobicContact CB-CG2 4.21Å; L469-T472 PolarHBondContact N-OG1 3.29Å; L469-T472 PolarHBondContact O-N 3.4Å; L469-T472 VanDerWaalsContact O-N 3.09Å; L469-T472 PolarHBondContact O-OG1 2.83Å; Q470-T472 PolarHBondContact O-N 2.7Å; T472-P492 VanDerWaalsContact O-CB 3.31Å; T472-P492 WeakPolarHBondContact O-CB 3.37Å; T472-P492 WeakPolarHBondContact O-CG 3.42Å; T472-H493 WeakPolarHBondContact CG2-O 3.4Å; T472-L495 HydrophobicContact CG2-CB 3.9Å |
| 473 | M | 85.4 | Confident | 72.8 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -93.6 | -24 | -177.9 | -63.6 | -67 | -85.7 | 0 | 0 | 112.8 | Y346 Q381 W384 M385 L466 P468 L469 Q470 T570 | Y346-M473 WeakPolarHBondContact CE1-O 3.48Å; Y346-M473 PolarHBondContact OH-O 3.5Å; Q381-M473 HydrophobicContact CB-SD 4.36Å; Q381-M473 HydrophobicContact CG-SD 4.12Å; W384-M473 HydrophobicContact CB-CE 3.67Å; W384-M473 HydrophobicContact CG-CE 4.28Å; M385-M473 HydrophobicContact CG-CE 4.16Å; M385-M473 HydrophobicContact SD-CE 3.99Å; L466-M473 HydrophobicContact CD2-SD 4.21Å; P468-M473 HydrophobicContact CB-CG 4.25Å; P468-M473 HydrophobicContact CB-SD 4.32Å; L469-M473 WeakPolarHBondContact O-CB 3.4Å; L469-M473 WeakPolarHBondContact O-CG 3.48Å; L469-M473 PolarHBondContact O-N 3.43Å; Q470-M473 PolarHBondContact O-N 2.68Å; M473-T570 HydrophobicContact CG-CG2 4.37Å |
| 474 | E | 78 | Confident | 72 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -101.5 | 130.2 | -177.6 | -66.3 | 177.5 | -172.4 | 0 | 0 | 112.5 | Q470 N547 | Q470-E474 HydrophobicContact CG-CG 4.23Å; Q470-E474 WeakPolarHBondContact CG-OE1 3.42Å; Q470-E474 WeakPolarHBondContact CG-OE2 3.42Å; Q470-E474 PolarHBondContact NE2-OE1 3.33Å; Q470-E474 PolarHBondContact NE2-OE2 3.1Å; Q470-E474 WeakPolarHBondContact O-CB 3.46Å; Q470-E474 PolarHBondContact O-N 3.29Å; E474-N547 PolarHBondContact OE1-ND2 3.48Å |
| 475 | F | 71.1 | Confident | 70.6 | Confident | 30 Ų | 30 | 51 Ų | 51 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | trans | -77.2 | 127.9 | 171.1 | -75.1 | -94.1 | 0 | 0 | 0 | 110.5 | Y346 Y378 I477 V489 | Y346-F475 AromaticContact CD1-CD2 3.29Å; Y346-F475 HydrophobicContact CD1-CD2 3.29Å; Y346-F475 AromaticContact CD1-CE2 3.26Å; Y346-F475 HydrophobicContact CD1-CE2 3.26Å; Y346-F475 HydrophobicContact CD2-CE2 4.28Å; Y346-F475 AromaticContact CE1-CD2 3.44Å; Y346-F475 HydrophobicContact CE1-CD2 3.44Å; Y346-F475 VanDerWaalsContact CE1-CD2 3.44Å; Y346-F475 AromaticContact CE1-CE2 3.44Å; Y346-F475 HydrophobicContact CE1-CE2 3.44Å; Y346-F475 VanDerWaalsContact CE1-CE2 3.44Å; Y346-F475 HydrophobicContact CE2-CE2 4.43Å; Y346-F475 HydrophobicContact CG-CD2 4.17Å; Y346-F475 AromaticContact CG-CE2 3.72Å; Y346-F475 HydrophobicContact CG-CE2 3.72Å; Y378-F475 AromaticContact CD1-CZ 3.83Å; Y378-F475 HydrophobicContact CD1-CZ 3.83Å; Y378-F475 HydrophobicContact CD2-CZ 4.2Å; Y378-F475 AromaticContact CE1-CE1 4Å; Y378-F475 HydrophobicContact CE1-CE1 4Å; Y378-F475 AromaticContact CE1-CZ 3.62Å; Y378-F475 HydrophobicContact CE1-CZ 3.62Å; Y378-F475 AromaticContact CE2-CZ 3.99Å; Y378-F475 HydrophobicContact CE2-CZ 3.99Å; Y378-F475 HydrophobicContact CG-CZ 4.12Å; Y378-F475 AromaticContact CZ-CZ 3.7Å; F475-I477 PolarHBondContact O-N 2.87Å; F475-I477 VanDerWaalsContact O-N 3.11Å; F475-V489 HydrophobicContact CB-CG1 4.42Å; F475-V489 HydrophobicContact CD1-CG1 3.83Å | ||
| 476 | V | 65 | Low | 68.9 | Low | 103 Ų | 103 | 54.5 Ų | 54.5 | 62% | 0.624 | 30% | 0.299 | S | S | * | . | B | Isolated β-bridge | trans | -77.8 | 98.8 | 172.6 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | P478 | V476-P478 WeakPolarHBondContact O-CD 3.32Å |
| 477 | I | 65.1 | Low | 67 | Low | 20 Ų | 20 | 59 Ų | 59 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | trans | -86 | 120.7 | 174.6 | -55.3 | -178.5 | 0 | 0 | 0 | 108.3 | L282 F475 L479 | L282-I477 HydrophobicContact CD2-CD1 3.38Å; F475-I477 PolarHBondContact O-N 2.87Å; F475-I477 VanDerWaalsContact O-N 3.11Å; I477-L479 VanDerWaalsContact C-N 3.3Å; I477-L479 PolarHBondContact O-N 3.21Å | ||
| 478 | P | 58.6 | Low | 65.2 | Low | 29 Ų | 29 | 60.2 Ų | 60.2 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | trans | -69.4 | 86 | 179.2 | -8.8 | 22 | 0 | 0 | 0 | 110.9 | V476 L480 K481 S488 | V476-P478 WeakPolarHBondContact O-CD 3.32Å; P478-L480 PolarHBondContact O-N 3.37Å; P478-L480 VanDerWaalsContact O-N 3.11Å; P478-K481 HydrophobicContact CB-CB 4.44Å; P478-K481 HydrophobicContact CB-CD 4.13Å; P478-K481 HydrophobicContact CB-CG 4.19Å; P478-K481 PolarHBondContact O-N 3.42Å; P478-S488 WeakPolarHBondContact CG-O 3.4Å | ||
| 479 | L | 56.2 | Low | 63.7 | Low | 58 Ų | 58 | 61 Ų | 61 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.1 | -177.3 | -75 | 146.2 | 0 | 0 | 0 | 114 | I477 T551 R555 | I477-L479 VanDerWaalsContact C-N 3.3Å; I477-L479 PolarHBondContact O-N 3.21Å; L479-T551 HydrophobicContact CD1-CG2 3.82Å; L479-T551 HydrophobicContact CD2-CG2 3.47Å; L479-T551 VanDerWaalsContact CD2-CG2 3.47Å; L479-T551 HydrophobicContact CG-CG2 4.3Å; L479-R555 HydrophobicContact CD2-CG 4.46Å; L479-R555 VanDerWaalsContact CD2-NE 3.29Å |
| 480 | L | 51.5 | Low | 62.1 | Low | 126 Ų | 126 | 64.9 Ų | 64.9 | 66% | 0.66 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -8.8 | -174.1 | -64.6 | 172.4 | 0 | 0 | 0 | 114.2 | P478 R560 | P478-L480 PolarHBondContact O-N 3.37Å; P478-L480 VanDerWaalsContact O-N 3.11Å; L480-R560 VanDerWaalsContact CD2-CZ 3.48Å |
| 481 | K | 51.4 | Low | 60.8 | Low | 133 Ų | 133 | 67.7 Ų | 67.7 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -81.2 | 138.3 | 175.6 | -70.8 | -174.1 | 177.8 | 178.6 | 0 | 109.6 | P478 S483 P484 | P478-K481 HydrophobicContact CB-CB 4.44Å; P478-K481 HydrophobicContact CB-CD 4.13Å; P478-K481 HydrophobicContact CB-CG 4.19Å; P478-K481 PolarHBondContact O-N 3.42Å; K481-S483 PolarHBondContact O-N 2.83Å; K481-P484 WeakPolarHBondContact O-CD 3.25Å |
| 482 | Q | 48.5 | Very low | 60 | Low | 180 Ų | 180 | 64.6 Ų | 64.6 | 84% | 0.841 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -70 | -14.6 | -175.5 | -69 | -176.6 | 2.2 | 0 | 0 | 113.6 | ||
| 483 | S | 46 | Very low | 59.2 | Low | 89 Ų | 89 | 71.5 Ų | 71.5 | 62% | 0.622 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -157.8 | 79.6 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | K481 T485 | K481-S483 PolarHBondContact O-N 2.83Å; S483-T485 PolarHBondContact O-N 3.11Å |
| 484 | P | 49.1 | Very low | 59 | Low | 13 Ų | 13 | 73.8 Ų | 73.8 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | trans | -64.9 | 102.5 | 171.6 | 27.3 | -31.8 | 0 | 0 | 0 | 107.5 | T279 K481 S488 | T279-P484 HydrophobicContact CG2-CG 4.41Å; T279-P484 WeakPolarHBondContact OG1-CG 3.37Å; K481-P484 WeakPolarHBondContact O-CD 3.25Å; P484-S488 VanDerWaalsContact CA-OG 3.27Å; P484-S488 WeakPolarHBondContact CA-OG 3.45Å; P484-S488 WeakPolarHBondContact CB-OG 3.08Å | ||
| 485 | T | 51.9 | Low | 59.5 | Low | 79 Ų | 79 | 70.9 Ų | 70.9 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | trans | -66 | 153.6 | 166.9 | 51.1 | 0 | 0 | 0 | 0 | 108.1 | S483 A487 S488 | S483-T485 PolarHBondContact O-N 3.11Å; T485-A487 PolarHBondContact O-N 2.88Å; T485-S488 PolarHBondContact N-OG 3.03Å; T485-S488 WeakPolarHBondContact O-CB 3.46Å; T485-S488 PolarHBondContact O-N 2.64Å; T485-S488 PolarHBondContact O-OG 3.1Å | ||
| 486 | P | 51.4 | Low | 60.4 | Low | 78 Ų | 78 | 72.9 Ų | 72.9 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -49.1 | -32.9 | 175.7 | -28.1 | 35.2 | 0 | 0 | 0 | 113 | P341 F343 S488 V489 | P341-P486 HydrophobicContact CB-CB 4.47Å; P341-P486 HydrophobicContact CG-CB 3.93Å; P341-P486 HydrophobicContact CG-CG 3.7Å; F343-P486 HydrophobicContact CE1-CB 4.11Å; P486-S488 PolarHBondContact O-N 2.84Å; P486-V489 PolarHBondContact O-N 3Å |
| 487 | A | 50.3 | Low | 61.5 | Low | 96 Ų | 96 | 68.6 Ų | 68.6 | 79% | 0.793 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -66 | -16.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T485 | T485-A487 PolarHBondContact O-N 2.88Š|
| 488 | S | 53.1 | Low | 62.4 | Low | 26 Ų | 26 | 73.2 Ų | 73.2 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -87.2 | -5.5 | 179.8 | 67.5 | 0 | 0 | 0 | 0 | 114 | P478 P484 T485 P486 T490 | P478-S488 WeakPolarHBondContact CG-O 3.4Å; P484-S488 VanDerWaalsContact CA-OG 3.27Å; P484-S488 WeakPolarHBondContact CA-OG 3.45Å; P484-S488 WeakPolarHBondContact CB-OG 3.08Å; T485-S488 PolarHBondContact N-OG 3.03Å; T485-S488 WeakPolarHBondContact O-CB 3.46Å; T485-S488 PolarHBondContact O-N 2.64Å; T485-S488 PolarHBondContact O-OG 3.1Å; P486-S488 PolarHBondContact O-N 2.84Å; S488-T490 PolarHBondContact O-N 3.33Å |
| 489 | V | 59.2 | Low | 63.5 | Low | 17 Ų | 17 | 72.8 Ų | 72.8 | 10% | 0.103 | 42% | 0.416 | C | S | . | . | trans | -86.6 | 107.2 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | F343 F475 P486 | F343-V489 HydrophobicContact CD2-CG1 4.3Å; F343-V489 HydrophobicContact CD2-CG2 4.31Å; F343-V489 HydrophobicContact CE1-CG2 4.33Å; F343-V489 HydrophobicContact CE2-CG2 3.74Å; F343-V489 HydrophobicContact CZ-CG2 3.76Å; F475-V489 HydrophobicContact CB-CG1 4.42Å; F475-V489 HydrophobicContact CD1-CG1 3.83Å; P486-V489 PolarHBondContact O-N 3Å | ||
| 490 | T | 57.5 | Low | 64.8 | Low | 89 Ų | 89 | 70.5 Ų | 70.5 | 55% | 0.546 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 130.6 | 173 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | S488 | S488-T490 PolarHBondContact O-N 3.33Å |
| 491 | P | 59.8 | Low | 66.2 | Low | 97 Ų | 97 | 66 Ų | 66 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 145.6 | 169.1 | 24.6 | -30.9 | 0 | 0 | 0 | 109.1 | ||
| 492 | P | 65.3 | Low | 67.4 | Low | 13 Ų | 13 | 63.1 Ų | 63.1 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 148 | 177.9 | 22.9 | -31.3 | 0 | 0 | 0 | 110.3 | S471 T472 S494 | S471-P492 WeakPolarHBondContact O-CB 3.38Å; T472-P492 VanDerWaalsContact O-CB 3.31Å; T472-P492 WeakPolarHBondContact O-CB 3.37Å; T472-P492 WeakPolarHBondContact O-CG 3.42Å; P492-S494 PolarHBondContact O-N 2.86Å; P492-S494 VanDerWaalsContact O-N 3.13Å |
| 493 | H | 69.5 | Low | 68.8 | Low | 146 Ų | 146 | 58.6 Ų | 58.6 | 68% | 0.676 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 121.1 | 179.5 | -171.1 | -61.5 | 0 | 0 | 0 | 109.1 | T472 L495 | T472-H493 WeakPolarHBondContact CG2-O 3.4Å; H493-L495 PolarHBondContact O-N 2.67Å |
| 494 | S | 80 | Confident | 70.4 | Confident | 59 Ų | 59 | 55 Ų | 55 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | trans | -71.8 | 114.3 | 177.4 | -62 | 0 | 0 | 0 | 0 | 109.4 | P492 | P492-S494 PolarHBondContact O-N 2.86Å; P492-S494 VanDerWaalsContact O-N 3.13Å | ||
| 495 | L | 88.7 | Confident | 72.1 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | trans | -125.4 | 119.4 | 174.4 | 179.9 | 75.7 | 0 | 0 | 0 | 108.1 | L466 L467 L469 T472 H493 D522 Y526 | L466-L495 WeakPolarHBondContact CD1-O 3.38Å; L467-L495 HydrophobicContact CB-CD2 4.39Å; L467-L495 HydrophobicContact CD2-CD2 3.76Å; L467-L495 PolarHBondContact N-O 2.77Å; L469-L495 HydrophobicContact CD1-CD2 3.55Å; T472-L495 HydrophobicContact CG2-CB 3.9Å; H493-L495 PolarHBondContact O-N 2.67Å; L495-D522 HydrophobicContact CD1-CB 4.01Å; L495-Y526 HydrophobicContact CD1-CE2 4.29Å; L495-Y526 HydrophobicContact CD2-CD2 4.15Å; L495-Y526 HydrophobicContact CD2-CE1 4.07Å; L495-Y526 HydrophobicContact CD2-CE2 3.57Å; L495-Y526 HydrophobicContact CG-CE2 4.47Å | ||
| 496 | Y | 89.5 | Confident | 73.6 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -105.7 | 154.5 | -174.8 | -57.1 | -78.4 | 0 | 0 | 0 | 111.3 | Q380 P464 V465 L466 N498 G520 S521 | Q380-Y496 VanDerWaalsContact OE1-CE1 3.3Å; P464-Y496 HydrophobicContact CB-CD1 3.7Å; P464-Y496 HydrophobicContact CB-CE1 4.32Å; P464-Y496 HydrophobicContact CB-CG 3.83Å; P464-Y496 HydrophobicContact CG-CD1 4.13Å; P464-Y496 HydrophobicContact CG-CE1 4.24Å; P464-Y496 HydrophobicContact CG-CG 4.46Å; V465-Y496 WeakPolarHBondContact O-CA 3.5Å; L466-Y496 HydrophobicContact CD1-CE1 4.47Å; Y496-N498 PolarHBondContact O-N 3.44Å; Y496-G520 CarbonylContact O-C 3.39Å; Y496-G520 WeakPolarHBondContact O-CA 3.38Å; Y496-S521 PolarHBondContact N-OG 3.43Å; Y496-S521 VanDerWaalsContact N-OG 3.11Å; Y496-S521 PolarHBondContact O-N 3.42Å |
| 497 | I | 88.1 | Confident | 75.1 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 115.3 | 173.9 | -60.4 | 176.7 | 0 | 0 | 0 | 108.1 | F425 V465 L467 F500 I518 | F425-I497 HydrophobicContact CE1-CD1 3.86Å; F425-I497 HydrophobicContact CE2-CD1 4.28Å; F425-I497 HydrophobicContact CZ-CD1 3.49Å; F425-I497 VanDerWaalsContact CZ-CD1 3.49Å; V465-I497 HydrophobicContact CB-CD1 4.39Å; V465-I497 HydrophobicContact CG1-CD1 4.09Å; V465-I497 WeakPolarHBondContact O-CG1 3.44Å; V465-I497 PolarHBondContact O-N 3.05Å; L467-I497 HydrophobicContact CB-CG1 3.95Å; L467-I497 HydrophobicContact CD1-CD1 4.2Å; L467-I497 HydrophobicContact CD1-CG1 3.96Å; I497-F500 HydrophobicContact CG2-CE2 4Å; I497-F500 HydrophobicContact CG2-CZ 4.25Å; I497-I518 HydrophobicContact CB-CG2 4.3Å; I497-I518 HydrophobicContact CG1-CG2 4.04Å; I497-I518 HydrophobicContact CG2-CG2 3.68Å |
| 498 | N | 84.4 | Confident | 76.3 | Confident | 117 Ų | 117 | 55.1 Ų | 55.1 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | -31 | 175.4 | -168.5 | 28.4 | 0 | 0 | 0 | 111.7 | Y496 V519 | Y496-N498 PolarHBondContact O-N 3.44Å; N498-V519 WeakPolarHBondContact CB-O 3.34Å; N498-V519 PolarHBondContact N-O 3.4Å |
| 499 | G | 82.5 | Confident | 77.3 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -173.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I518 V519 | G499-I518 WeakPolarHBondContact O-CG2 3.47Å; G499-V519 PolarHBondContact N-O 2.89Å; G499-V519 PolarHBondContact O-N 3.46Å |
| 500 | F | 82.3 | Confident | 77.9 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 4% | 0.039 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144.6 | 178.1 | -67.9 | -94.8 | 0 | 0 | 0 | 110.3 | F425 I453 F457 I497 I516 I518 | F425-F500 AromaticContact CE2-CE2 3.86Å; F425-F500 HydrophobicContact CE2-CE2 3.86Å; F425-F500 AromaticContact CE2-CZ 3.58Å; F425-F500 HydrophobicContact CE2-CZ 3.58Å; F425-F500 HydrophobicContact CZ-CE2 4.43Å; F425-F500 AromaticContact CZ-CZ 3.74Å; F425-F500 HydrophobicContact CZ-CZ 3.74Å; I453-F500 HydrophobicContact CB-CB 4.46Å; I453-F500 HydrophobicContact CG2-CB 3.82Å; I453-F500 HydrophobicContact CG2-CD1 4.45Å; I453-F500 HydrophobicContact CG2-CG 4.09Å; F457-F500 HydrophobicContact CB-CD2 3.52Å; F457-F500 HydrophobicContact CB-CE2 3.61Å; F457-F500 HydrophobicContact CD1-CD2 4.27Å; F457-F500 AromaticContact CD1-CE2 3.57Å; F457-F500 HydrophobicContact CD1-CE2 3.57Å; F457-F500 AromaticContact CD1-CZ 3.91Å; F457-F500 HydrophobicContact CD1-CZ 3.91Å; F457-F500 HydrophobicContact CD2-CD2 4.11Å; F457-F500 HydrophobicContact CD2-CE2 4.15Å; F457-F500 HydrophobicContact CD2-CG 4.47Å; F457-F500 HydrophobicContact CE1-CE2 4.21Å; F457-F500 HydrophobicContact CE1-CZ 4.08Å; F457-F500 AromaticContact CG-CD2 3.73Å; F457-F500 HydrophobicContact CG-CD2 3.73Å; F457-F500 AromaticContact CG-CE2 3.51Å; F457-F500 HydrophobicContact CG-CE2 3.51Å; F457-F500 HydrophobicContact CG-CZ 4.13Å; F457-F500 HydrophobicContact CZ-CZ 4.45Å; I497-F500 HydrophobicContact CG2-CE2 4Å; I497-F500 HydrophobicContact CG2-CZ 4.25Å; F500-I516 HydrophobicContact CE1-CD1 4.19Å; F500-I518 HydrophobicContact CD1-CG1 3.95Å; F500-I518 HydrophobicContact CE1-CD1 3.93Å; F500-I518 HydrophobicContact CE1-CG1 3.68Å; F500-I518 HydrophobicContact CE1-CG2 4.42Å |
| 501 | A | 81.9 | Confident | 78.8 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | trans | -70.9 | 152.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I453 Q503 S517 | I453-A501 VanDerWaalsContact CD1-O 3.26Å; I453-A501 WeakPolarHBondContact CD1-O 3.18Å; A501-Q503 PolarHBondContact O-N 2.93Å; A501-S517 PolarHBondContact N-O 3.44Å | ||
| 502 | D | 76 | Confident | 79.8 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -78.2 | -5 | -176.3 | -62.1 | -41.1 | 0 | 0 | 0 | 114 | H451 R454 | H451-D502 PolarHBondContact N-O 3.45Å; R454-D502 WeakPolarHBondContact CG-OD1 3.24Å; R454-D502 IonicContact NE-OD1 3.57Å |
| 503 | Q | 77.4 | Confident | 80.8 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.9 | -176.9 | -65.1 | -175.2 | 1.5 | 0 | 0 | 110.8 | R450 A501 | R450-Q503 HydrophobicContact CG-CG 4.28Å; A501-Q503 PolarHBondContact O-N 2.93Å |
| 504 | I | 81.2 | Confident | 81.6 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.7 | 166.8 | -51.9 | -176.8 | 0 | 0 | 0 | 108.1 | L432 V449 I453 V506 K514 I516 | L432-I504 HydrophobicContact CD1-CD1 3.84Å; L432-I504 HydrophobicContact CG-CD1 4.35Å; V449-I504 PolarHBondContact N-O 3.15Å; V449-I504 VanDerWaalsContact N-O 3.16Å; V449-I504 PolarHBondContact O-N 3.18Å; I453-I504 HydrophobicContact CD1-CD1 3.48Å; I453-I504 VanDerWaalsContact CD1-CD1 3.48Å; I453-I504 HydrophobicContact CD1-CG1 3.13Å; I453-I504 HydrophobicContact CG1-CD1 3.82Å; I453-I504 HydrophobicContact CG1-CG1 3.89Å; I504-V506 HydrophobicContact CG2-CG2 4.5Å; I504-K514 HydrophobicContact CG2-CB 3.76Å; I504-K514 HydrophobicContact CG2-CD 4.38Å; I504-K514 HydrophobicContact CG2-CG 4.26Å; I504-I516 HydrophobicContact CG1-CG2 4.4Å; I504-I516 HydrophobicContact CG2-CG2 4.29Å |
| 505 | E | 84.6 | Confident | 82.1 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.6 | 169 | -178.1 | -175.9 | 173.3 | 0 | 0 | 108.7 | L507 K515 | E505-L507 HydrophobicContact CG-CD2 4.14Å; E505-K515 HydrophobicContact CB-CB 4.2Å; E505-K515 HydrophobicContact CB-CD 4.48Å; E505-K515 PolarHBondContact N-O 2.93Å; E505-K515 VanDerWaalsContact N-O 3.1Å; E505-K515 PolarHBondContact O-N 3.09Å; E505-K515 WeakPolarHBondContact OE2-CD 3.39Å; E505-K515 IonicContact OE2-NZ 2.7Å; E505-K515 PolarHBondContact OE2-NZ 3.23Å |
| 506 | V | 83.1 | Confident | 82.1 | Confident | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.4 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | L439 F447 V449 I504 K512 K514 | L439-V506 HydrophobicContact CD1-CG2 4.35Å; F447-V506 WeakPolarHBondContact CD1-O 3.5Å; F447-V506 PolarHBondContact O-N 3.35Å; F447-V506 VanDerWaalsContact O-N 3.09Å; V449-V506 HydrophobicContact CG2-CG2 4.36Å; I504-V506 HydrophobicContact CG2-CG2 4.5Å; V506-K512 HydrophobicContact CG1-CB 4.06Å; V506-K514 HydrophobicContact CG2-CG 4.47Å |
| 507 | L | 82.1 | Confident | 82.2 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | trans | -77.5 | 144.8 | -177 | -55.5 | 178.5 | 0 | 0 | 0 | 111 | E505 S509 K512 P513 M529 W583 | E505-L507 HydrophobicContact CG-CD2 4.14Å; L507-S509 PolarHBondContact O-N 3.2Å; L507-K512 WeakPolarHBondContact O-CA 3.19Å; L507-P513 HydrophobicContact CB-CG 4.07Å; L507-P513 HydrophobicContact CD1-CG 4.21Å; L507-P513 PolarHBondContact N-O 2.82Å; L507-M529 HydrophobicContact CD1-CE 4.21Å; L507-W583 HydrophobicContact CD1-CH2 4.32Å; L507-W583 HydrophobicContact CD1-CZ3 3.83Å | ||
| 508 | N | 75 | Confident | 82.3 | Confident | 138 Ų | 138 | 52 Ų | 52 | 74% | 0.738 | 28% | 0.279 | S | S | * | . | trans | -84.2 | 81.1 | -179.1 | -165.9 | 24.8 | 0 | 0 | 0 | 110.6 | F447 | F447-N508 HydrophobicContact CE1-CB 4.04Å; F447-N508 HydrophobicContact CZ-CB 4.42Å | ||
| 509 | S | 75.3 | Confident | 82.5 | Confident | 58 Ų | 58 | 48 Ų | 48 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -135.2 | 173.6 | 171.3 | 85 | 0 | 0 | 0 | 0 | 111.1 | L507 Q511 K512 P513 | L507-S509 PolarHBondContact O-N 3.2Å; S509-Q511 PolarHBondContact O-N 2.95Å; S509-K512 WeakPolarHBondContact O-CG 3.18Å; S509-K512 PolarHBondContact O-N 2.88Å; S509-K512 VanDerWaalsContact O-N 3.09Å; S509-P513 WeakPolarHBondContact OG-CD 3.43Å |
| 510 | L | 72.3 | Confident | 82.9 | Confident | 179 Ų | 179 | 47 Ų | 47 | 94% | 0.937 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -40.7 | -179.3 | -170.6 | 73.8 | 0 | 0 | 0 | 112.4 | ||
| 511 | Q | 75.6 | Confident | 83.2 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.2 | -177.8 | -66.2 | -171.4 | -16.7 | 0 | 0 | 114.2 | S509 N532 K533 | S509-Q511 PolarHBondContact O-N 2.95Å; Q511-N532 PolarHBondContact OE1-O 3.39Å; Q511-K533 PolarHBondContact NE2-O 2.71Å |
| 512 | K | 80.8 | Confident | 83.5 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | trans | 48.3 | 59.4 | -179 | -58.8 | -173.4 | 178.1 | -170.2 | 0 | 113.7 | V436 V506 L507 S509 | V436-K512 HydrophobicContact CG1-CD 4.12Å; V506-K512 HydrophobicContact CG1-CB 4.06Å; L507-K512 WeakPolarHBondContact O-CA 3.19Å; S509-K512 WeakPolarHBondContact O-CG 3.18Å; S509-K512 PolarHBondContact O-N 2.88Å; S509-K512 VanDerWaalsContact O-N 3.09Å | ||
| 513 | P | 85.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 7% | 0.071 | 28% | 0.28 | C | S | . | . | trans | -64.8 | 152.7 | 179 | 28.7 | -33 | 0 | 0 | 0 | 110.7 | L507 S509 M529 C530 K531 | L507-P513 HydrophobicContact CB-CG 4.07Å; L507-P513 HydrophobicContact CD1-CG 4.21Å; L507-P513 PolarHBondContact N-O 2.82Å; S509-P513 WeakPolarHBondContact OG-CD 3.43Å; P513-M529 HydrophobicContact CB-CG 3.92Å; P513-M529 HydrophobicContact CB-SD 3.87Å; P513-M529 HydrophobicContact CG-SD 4.18Å; P513-C530 WeakPolarHBondContact CA-O 3.42Å; P513-K531 HydrophobicContact CB-CG 4.24Å | ||
| 514 | K | 87 | Confident | 84.8 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.6 | -174 | -60.6 | -178 | -174.5 | 79.7 | 0 | 109.8 | L432 C433 Y435 V436 I504 V506 M529 C530 | L432-K514 HydrophobicContact CD2-CB 4.36Å; L432-K514 HydrophobicContact CD2-CD 3.98Å; L432-K514 HydrophobicContact CG-CD 4.35Å; L432-K514 WeakPolarHBondContact O-CD 3.17Å; L432-K514 WeakPolarHBondContact O-CE 3.26Å; L432-K514 PolarHBondContact O-NZ 2.85Å; C433-K514 PolarHBondContact O-NZ 3.5Å; Y435-K514 WeakPolarHBondContact O-CE 3.42Å; Y435-K514 PolarHBondContact O-NZ 3.01Å; V436-K514 VanDerWaalsContact CG2-NZ 3.27Å; I504-K514 HydrophobicContact CG2-CB 3.76Å; I504-K514 HydrophobicContact CG2-CD 4.38Å; I504-K514 HydrophobicContact CG2-CG 4.26Å; V506-K514 HydrophobicContact CG2-CG 4.47Å; K514-M529 CarbonylContact O-C 3.59Å; K514-M529 WeakPolarHBondContact O-CA 3.5Å; K514-C530 HydrophobicContact CB-CB 4.26Å; K514-C530 PolarHBondContact N-O 2.9Å; K514-C530 PolarHBondContact O-N 3.32Å |
| 515 | K | 90.2 | Very high | 85.3 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.3 | 173.3 | 179.2 | -175.8 | 168.1 | -160.1 | 0 | 108.8 | E505 L527 M528 W583 | E505-K515 HydrophobicContact CB-CB 4.2Å; E505-K515 HydrophobicContact CB-CD 4.48Å; E505-K515 PolarHBondContact N-O 2.93Å; E505-K515 VanDerWaalsContact N-O 3.1Å; E505-K515 PolarHBondContact O-N 3.09Å; E505-K515 WeakPolarHBondContact OE2-CD 3.39Å; E505-K515 IonicContact OE2-NZ 2.7Å; E505-K515 PolarHBondContact OE2-NZ 3.23Å; K515-L527 HydrophobicContact CG-CD2 4.43Å; K515-M528 WeakPolarHBondContact CA-O 3.45Å; K515-W583 HydrophobicContact CD-CD2 4.14Å; K515-W583 HydrophobicContact CD-CE3 4.22Å; K515-W583 HydrophobicContact CD-CH2 4.39Å; K515-W583 HydrophobicContact CD-CZ2 4.3Å; K515-W583 HydrophobicContact CD-CZ3 4.35Å; K515-W583 HydrophobicContact CG-CD2 4.47Å; K515-W583 HydrophobicContact CG-CE3 4.44Å |
| 516 | I | 89.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 146.1 | -177.1 | 57.6 | 166.7 | 0 | 0 | 0 | 109.8 | L432 F500 I504 I518 L527 M528 C530 L580 | L432-I516 HydrophobicContact CD1-CG2 4.22Å; L432-I516 HydrophobicContact CD2-CG2 4Å; F500-I516 HydrophobicContact CE1-CD1 4.19Å; I504-I516 HydrophobicContact CG1-CG2 4.4Å; I504-I516 HydrophobicContact CG2-CG2 4.29Å; I516-I518 HydrophobicContact CD1-CD1 3.97Å; I516-I518 HydrophobicContact CD1-CG1 4.19Å; I516-I518 HydrophobicContact CG1-CG1 4.48Å; I516-L527 WeakPolarHBondContact O-CA 3.45Å; I516-M528 HydrophobicContact CD1-CB 4.29Å; I516-M528 HydrophobicContact CG1-CB 3.98Å; I516-M528 VanDerWaalsContact CG1-O 3.29Å; I516-M528 WeakPolarHBondContact CG1-O 3.31Å; I516-M528 PolarHBondContact N-O 2.89Å; I516-M528 PolarHBondContact O-N 3.49Å; I516-C530 VanDerWaalsContact CD1-SG 3.57Å; I516-L580 HydrophobicContact CD1-CD2 4.37Å |
| 517 | S | 90.9 | Very high | 86.2 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.3 | 173.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | A501 | A501-S517 PolarHBondContact N-O 3.44Å |
| 518 | I | 89.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.2 | -177 | -50.9 | -178.3 | 0 | 0 | 0 | 108.3 | L467 I497 G499 F500 I516 Y526 M528 | L467-I518 HydrophobicContact CD1-CB 4.16Å; L467-I518 HydrophobicContact CD1-CD1 3.62Å; L467-I518 HydrophobicContact CD1-CG1 4.47Å; L467-I518 HydrophobicContact CD1-CG2 3.91Å; I497-I518 HydrophobicContact CB-CG2 4.3Å; I497-I518 HydrophobicContact CG1-CG2 4.04Å; I497-I518 HydrophobicContact CG2-CG2 3.68Å; G499-I518 WeakPolarHBondContact O-CG2 3.47Å; F500-I518 HydrophobicContact CD1-CG1 3.95Å; F500-I518 HydrophobicContact CE1-CD1 3.93Å; F500-I518 HydrophobicContact CE1-CG1 3.68Å; F500-I518 HydrophobicContact CE1-CG2 4.42Å; I516-I518 HydrophobicContact CD1-CD1 3.97Å; I516-I518 HydrophobicContact CD1-CG1 4.19Å; I516-I518 HydrophobicContact CG1-CG1 4.48Å; I518-Y526 PolarHBondContact N-O 2.89Å; I518-Y526 PolarHBondContact O-N 3.32Å; I518-M528 HydrophobicContact CD1-CB 4.36Å; I518-M528 HydrophobicContact CD1-CG 3.85Å; I518-M528 HydrophobicContact CD1-SD 3.71Å |
| 519 | V | 89 | Confident | 87.5 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.2 | 175.9 | -171.8 | 0 | 0 | 0 | 0 | 108 | N498 G499 | N498-V519 WeakPolarHBondContact CB-O 3.34Å; N498-V519 PolarHBondContact N-O 3.4Å; G499-V519 PolarHBondContact N-O 2.89Å; G499-V519 PolarHBondContact O-N 3.46Å |
| 520 | G | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 165.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y496 D522 G523 H524 | Y496-G520 CarbonylContact O-C 3.39Å; Y496-G520 WeakPolarHBondContact O-CA 3.38Å; G520-D522 WeakPolarHBondContact CA-OD1 3.34Å; G520-D522 PolarHBondContact O-N 3.23Å; G520-G523 PolarHBondContact O-N 3.41Å; G520-H524 PolarHBondContact N-O 3.11Å |
| 521 | S | 89 | Confident | 88.9 | Confident | 66 Ų | 66 | 39.5 Ų | 39.5 | 46% | 0.462 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.3 | 173.1 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | Y496 G523 | Y496-S521 PolarHBondContact N-OG 3.43Å; Y496-S521 VanDerWaalsContact N-OG 3.11Å; Y496-S521 PolarHBondContact O-N 3.42Å; S521-G523 VanDerWaalsContact C-N 3.33Å |
| 522 | D | 89.6 | Confident | 89.3 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 35% | 0.353 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.9 | 171.9 | 65.2 | -15.6 | 0 | 0 | 0 | 113.5 | L495 G520 H524 Y526 | L495-D522 HydrophobicContact CD1-CB 4.01Å; G520-D522 WeakPolarHBondContact CA-OD1 3.34Å; G520-D522 PolarHBondContact O-N 3.23Å; D522-H524 VanDerWaalsContact C-N 3.3Å; D522-H524 VanDerWaalsContact CG-ND1 3.27Å; D522-H524 PolarHBondContact O-N 3.19Å; D522-H524 PolarHBondContact OD1-N 2.64Å; D522-H524 IonicContact OD1-ND1 3.04Å; D522-H524 IonicContact OD2-CE1 2.7Å; D522-H524 IonicContact OD2-CG 3.18Å; D522-H524 IonicContact OD2-ND1 3.23Å; D522-H524 PolarHBondContact OD2-ND1 3.35Å; D522-Y526 WeakPolarHBondContact OD1-CE2 3.45Å; D522-Y526 PolarHBondContact OD2-OH 2.67Å |
| 523 | G | 88.2 | Confident | 89.3 | Confident | 51 Ų | 51 | 40.2 Ų | 40.2 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 82.4 | -2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G520 S521 | G520-G523 PolarHBondContact O-N 3.41Å; S521-G523 VanDerWaalsContact C-N 3.33Å |
| 524 | H | 91.4 | Very high | 88.9 | Confident | 116 Ų | 116 | 40.1 Ų | 40.1 | 54% | 0.537 | 22% | 0.216 | S | C | . | . | trans | -83.6 | 153.6 | 178.1 | -64.3 | 100.2 | 0 | 0 | 0 | 112 | G520 D522 Y526 | G520-H524 PolarHBondContact N-O 3.11Å; D522-H524 VanDerWaalsContact C-N 3.3Å; D522-H524 VanDerWaalsContact CG-ND1 3.27Å; D522-H524 PolarHBondContact O-N 3.19Å; D522-H524 PolarHBondContact OD1-N 2.64Å; D522-H524 IonicContact OD1-ND1 3.04Å; D522-H524 IonicContact OD2-CE1 2.7Å; D522-H524 IonicContact OD2-CG 3.18Å; D522-H524 IonicContact OD2-ND1 3.23Å; D522-H524 PolarHBondContact OD2-ND1 3.35Å; H524-Y526 HydrophobicContact CB-CE2 3.78Å; H524-Y526 WeakPolarHBondContact O-CD2 3.38Å | ||
| 525 | N | 91.3 | Very high | 88.7 | Confident | 106 Ų | 106 | 40.5 Ų | 40.5 | 57% | 0.567 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.2 | 176.1 | -69.9 | -34 | 0 | 0 | 0 | 110.6 | ||
| 526 | Y | 92.9 | Very high | 88.5 | Confident | 60 Ų | 60 | 38.9 Ų | 38.9 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.9 | 177.3 | -63.4 | -86.3 | 0 | 0 | 0 | 109.9 | L467 L469 L495 I518 D522 H524 | L467-Y526 HydrophobicContact CD2-CD1 4.25Å; L467-Y526 HydrophobicContact CD2-CD2 3.71Å; L467-Y526 HydrophobicContact CD2-CE2 4.46Å; L467-Y526 HydrophobicContact CD2-CG 3.58Å; L469-Y526 HydrophobicContact CD1-CD1 3.52Å; L469-Y526 HydrophobicContact CD1-CE1 3.54Å; L469-Y526 HydrophobicContact CD1-CG 4.23Å; L469-Y526 HydrophobicContact CD2-CD1 4.17Å; L469-Y526 HydrophobicContact CG-CD1 4.46Å; L495-Y526 HydrophobicContact CD1-CE2 4.29Å; L495-Y526 HydrophobicContact CD2-CD2 4.15Å; L495-Y526 HydrophobicContact CD2-CE1 4.07Å; L495-Y526 HydrophobicContact CD2-CE2 3.57Å; L495-Y526 HydrophobicContact CG-CE2 4.47Å; I518-Y526 PolarHBondContact N-O 2.89Å; I518-Y526 PolarHBondContact O-N 3.32Å; D522-Y526 WeakPolarHBondContact OD1-CE2 3.45Å; D522-Y526 PolarHBondContact OD2-OH 2.67Å; H524-Y526 HydrophobicContact CB-CE2 3.78Å; H524-Y526 WeakPolarHBondContact O-CD2 3.38Å |
| 527 | L | 93.2 | Very high | 88.1 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.2 | -178.9 | -68.7 | 170.2 | 0 | 0 | 0 | 110.2 | K515 I516 W583 N585 | K515-L527 HydrophobicContact CG-CD2 4.43Å; I516-L527 WeakPolarHBondContact O-CA 3.45Å; L527-W583 HydrophobicContact CB-CB 3.64Å; L527-W583 HydrophobicContact CB-CG 3.87Å; L527-W583 WeakPolarHBondContact O-CB 3.45Å; L527-W583 PolarHBondContact O-N 2.86Å; L527-N585 VanDerWaalsContact CD1-OD1 3.24Å; L527-N585 WeakPolarHBondContact CD1-OD1 3.5Å |
| 528 | M | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153.2 | 171.9 | -57.6 | -158.6 | 94 | 0 | 0 | 110.5 | L467 P468 K515 I516 I518 L580 V581 E582 | L467-M528 HydrophobicContact CD1-SD 3.93Å; P468-M528 HydrophobicContact CG-CE 3.99Å; P468-M528 HydrophobicContact CG-SD 4.26Å; P468-M528 WeakPolarHBondContact O-CE 3.38Å; K515-M528 WeakPolarHBondContact CA-O 3.45Å; I516-M528 HydrophobicContact CD1-CB 4.29Å; I516-M528 HydrophobicContact CG1-CB 3.98Å; I516-M528 VanDerWaalsContact CG1-O 3.29Å; I516-M528 WeakPolarHBondContact CG1-O 3.31Å; I516-M528 PolarHBondContact N-O 2.89Å; I516-M528 PolarHBondContact O-N 3.49Å; I518-M528 HydrophobicContact CD1-CB 4.36Å; I518-M528 HydrophobicContact CD1-CG 3.85Å; I518-M528 HydrophobicContact CD1-SD 3.71Å; M528-L580 HydrophobicContact CE-CB 4.33Å; M528-L580 HydrophobicContact SD-CD1 4.33Å; M528-V581 CarbonylContact C-O 3.57Å; M528-V581 WeakPolarHBondContact CA-O 3.41Å; M528-E582 HydrophobicContact CE-CB 4.41Å |
| 529 | M | 91.9 | Very high | 87.6 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 15% | 0.148 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.6 | 174.7 | -173 | -169.6 | -49.2 | 0 | 0 | 110.1 | L507 P513 K514 K531 L580 V581 W583 | L507-M529 HydrophobicContact CD1-CE 4.21Å; P513-M529 HydrophobicContact CB-CG 3.92Å; P513-M529 HydrophobicContact CB-SD 3.87Å; P513-M529 HydrophobicContact CG-SD 4.18Å; K514-M529 CarbonylContact O-C 3.59Å; K514-M529 WeakPolarHBondContact O-CA 3.5Å; M529-K531 HydrophobicContact CG-CG 4.4Å; M529-K531 HydrophobicContact SD-CG 3.98Å; M529-L580 WeakPolarHBondContact O-CA 3.34Å; M529-V581 HydrophobicContact CB-CB 4.35Å; M529-V581 PolarHBondContact N-O 2.88Å; M529-V581 PolarHBondContact O-N 3.43Å; M529-W583 HydrophobicContact CE-CE3 3.46Å; M529-W583 VanDerWaalsContact CE-CE3 3.46Å; M529-W583 HydrophobicContact CE-CZ3 3.4Å; M529-W583 VanDerWaalsContact CE-CZ3 3.4Å |
| 530 | C | 90.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114.2 | 168.8 | -62 | 0 | 0 | 0 | 0 | 109.1 | L432 P513 K514 I516 L580 | L432-C530 HydrophobicContact CD2-CB 3.83Å; L432-C530 WeakPolarHBondContact CD2-SG 3.3Å; P513-C530 WeakPolarHBondContact CA-O 3.42Å; K514-C530 HydrophobicContact CB-CB 4.26Å; K514-C530 PolarHBondContact N-O 2.9Å; K514-C530 PolarHBondContact O-N 3.32Å; I516-C530 VanDerWaalsContact CD1-SG 3.57Å; C530-L580 HydrophobicContact CB-CD2 4.49Å; C530-L580 WeakPolarHBondContact SG-CD2 3.17Å |
| 531 | K | 88.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 141.6 | 172.5 | -76.3 | -176 | 152.6 | -154.4 | 0 | 110.1 | P513 M529 D534 L536 C578 G579 V581 D698 | P513-K531 HydrophobicContact CB-CG 4.24Å; M529-K531 HydrophobicContact CG-CG 4.4Å; M529-K531 HydrophobicContact SD-CG 3.98Å; K531-D534 HydrophobicContact CB-CB 4.28Å; K531-D534 WeakPolarHBondContact CD-OD2 3.27Å; K531-D534 IonicContact NZ-OD2 3.27Å; K531-D534 PolarHBondContact NZ-OD2 2.88Å; K531-L536 HydrophobicContact CB-CD1 4.33Å; K531-L536 HydrophobicContact CB-CD2 4.44Å; K531-L536 HydrophobicContact CD-CD2 3.64Å; K531-C578 WeakPolarHBondContact O-CA 3.34Å; K531-G579 PolarHBondContact N-O 3.05Å; K531-G579 VanDerWaalsContact N-O 3.07Å; K531-G579 PolarHBondContact O-N 2.85Å; K531-V581 HydrophobicContact CD-CG2 4.21Å; K531-D698 IonicContact NZ-OD2 3.47Å |
| 532 | N | 83.6 | Confident | 87 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 143.1 | 179.6 | -176.1 | 14.4 | 0 | 0 | 0 | 109.2 | C433 Q511 D534 D577 | C433-N532 HydrophobicContact CB-CB 4.11Å; C433-N532 WeakPolarHBondContact O-CB 3.27Å; C433-N532 PolarHBondContact O-ND2 2.81Å; Q511-N532 PolarHBondContact OE1-O 3.39Å; N532-D534 VanDerWaalsContact C-N 3.26Å; N532-D577 CarbonylContact C-O 3.33Å |
| 533 | K | 79.8 | Confident | 87 | Confident | 154 Ų | 154 | 33.9 Ų | 33.9 | 67% | 0.67 | 17% | 0.171 | S | C | * | . | S | Bend | trans | 60.2 | 34.3 | -174.5 | -53.9 | -175.4 | 177.1 | -174.5 | 0 | 113.3 | Q511 D577 | Q511-K533 PolarHBondContact NE2-O 2.71Å; K533-D577 VanDerWaalsContact CA-O 3.3Å; K533-D577 WeakPolarHBondContact CA-O 3.48Å; K533-D577 PolarHBondContact N-O 3.11Å |
| 534 | D | 78.7 | Confident | 86.9 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | trans | -134.6 | 132.3 | -178.4 | -154.8 | 9.9 | 0 | 0 | 0 | 110.6 | K531 N532 L536 D577 C578 N700 | K531-D534 HydrophobicContact CB-CB 4.28Å; K531-D534 WeakPolarHBondContact CD-OD2 3.27Å; K531-D534 IonicContact NZ-OD2 3.27Å; K531-D534 PolarHBondContact NZ-OD2 2.88Å; N532-D534 VanDerWaalsContact C-N 3.26Å; D534-L536 HydrophobicContact CB-CD2 4.24Å; D534-L536 PolarHBondContact O-N 2.87Å; D534-D577 PolarHBondContact N-O 3.26Å; D534-D577 CarbonylContact O-C 3.27Å; D534-C578 PolarHBondContact O-N 2.9Å; D534-N700 PolarHBondContact OD1-ND2 3.31Å; D534-N700 PolarHBondContact OD1-OD1 3.46Å; D534-N700 PolarHBondContact OD2-ND2 3.09Å | ||
| 535 | D | 81.6 | Confident | 86.8 | Confident | 11 Ų | 11 | 28.1 Ų | 28.1 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | trans | -91.8 | 89.9 | 179.9 | 178.8 | 18.2 | 0 | 0 | 0 | 111 | R537 E576 | D535-R537 PolarHBondContact O-N 3.03Å; D535-R537 WeakPolarHBondContact OD1-CB 3.24Å; D535-R537 WeakPolarHBondContact OD1-CG 3.49Å; D535-R537 IonicContact OD1-CZ 3.23Å; D535-R537 VanDerWaalsContact OD1-CZ 3.31Å; D535-R537 PolarHBondContact OD1-N 3.35Å; D535-R537 IonicContact OD1-NE 2.89Å; D535-R537 PolarHBondContact OD1-NE 2.67Å; D535-R537 IonicContact OD1-NH2 2.77Å; D535-R537 PolarHBondContact OD1-NH2 3.06Å; D535-R537 IonicContact OD2-CZ 3.33Å; D535-R537 IonicContact OD2-NE 2.73Å; D535-R537 IonicContact OD2-NH2 3.12Å; D535-R537 PolarHBondContact OD2-NH2 3.14Å; D535-E576 WeakPolarHBondContact CA-O 3.26Å; D535-E576 WeakPolarHBondContact CB-O 3.48Å | ||
| 536 | L | 86.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 4.9 | -175.3 | -58 | -174.1 | 0 | 0 | 0 | 114.9 | K531 D534 L538 D539 K540 V571 P573 V581 | K531-L536 HydrophobicContact CB-CD1 4.33Å; K531-L536 HydrophobicContact CB-CD2 4.44Å; K531-L536 HydrophobicContact CD-CD2 3.64Å; D534-L536 HydrophobicContact CB-CD2 4.24Å; D534-L536 PolarHBondContact O-N 2.87Å; L536-L538 VanDerWaalsContact C-N 3.3Å; L536-L538 PolarHBondContact O-N 2.63Å; L536-D539 PolarHBondContact O-N 2.61Å; L536-K540 WeakPolarHBondContact O-CB 3.46Å; L536-K540 PolarHBondContact O-N 3.21Å; L536-V571 HydrophobicContact CB-CG1 3.68Å; L536-V571 HydrophobicContact CD1-CG1 4.16Å; L536-V571 HydrophobicContact CG-CG1 4.44Å; L536-P573 HydrophobicContact CB-CG 4.2Å; L536-V581 HydrophobicContact CD1-CG2 3.79Å; L536-V581 HydrophobicContact CD2-CG2 4.43Å |
| 537 | R | 82.7 | Confident | 86.5 | Confident | 28 Ų | 28 | 21.7 Ų | 21.7 | 11% | 0.106 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.1 | -36.1 | 177.6 | -70.9 | 176.1 | -68.5 | 130.1 | -4.4 | 111.1 | D535 R541 P573 D764 L766 V767 | D535-R537 PolarHBondContact O-N 3.03Å; D535-R537 WeakPolarHBondContact OD1-CB 3.24Å; D535-R537 WeakPolarHBondContact OD1-CG 3.49Å; D535-R537 IonicContact OD1-CZ 3.23Å; D535-R537 VanDerWaalsContact OD1-CZ 3.31Å; D535-R537 PolarHBondContact OD1-N 3.35Å; D535-R537 IonicContact OD1-NE 2.89Å; D535-R537 PolarHBondContact OD1-NE 2.67Å; D535-R537 IonicContact OD1-NH2 2.77Å; D535-R537 PolarHBondContact OD1-NH2 3.06Å; D535-R537 IonicContact OD2-CZ 3.33Å; D535-R537 IonicContact OD2-NE 2.73Å; D535-R537 IonicContact OD2-NH2 3.12Å; D535-R537 PolarHBondContact OD2-NH2 3.14Å; R537-R541 WeakPolarHBondContact O-CG 3.18Å; R537-R541 PolarHBondContact O-N 3.36Å; R537-R541 VanDerWaalsContact O-N 3.15Å; R537-P573 HydrophobicContact CG-CB 4.01Å; R537-P573 HydrophobicContact CG-CG 3.89Å; R537-D764 IonicContact CZ-OD2 3.37Å; R537-D764 IonicContact NH1-OD1 3.28Å; R537-D764 PolarHBondContact NH1-OD1 3.49Å; R537-D764 VanDerWaalsContact NH1-OD1 3.15Å; R537-D764 IonicContact NH1-OD2 3.58Å; R537-D764 PolarHBondContact NH1-OD2 3.29Å; R537-L766 VanDerWaalsContact CZ-CB 3.49Å; R537-L766 VanDerWaalsContact NH2-CB 3.27Å; R537-L766 PolarHBondContact NH2-O 3.08Å; R537-V767 VanDerWaalsContact NH1-N 3.12Å |
| 538 | L | 81.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.8 | -51.4 | 174.3 | -74.8 | 176.2 | 0 | 0 | 0 | 111.1 | L536 K540 R541 L542 L702 F703 F761 V767 | L536-L538 VanDerWaalsContact C-N 3.3Å; L536-L538 PolarHBondContact O-N 2.63Å; L538-K540 PolarHBondContact O-N 3.25Å; L538-R541 PolarHBondContact O-N 3.49Å; L538-L542 PolarHBondContact O-N 3.32Å; L538-L702 HydrophobicContact CB-CD1 4.42Å; L538-L702 HydrophobicContact CD2-CD1 4.49Å; L538-F703 HydrophobicContact CD2-CE2 4.37Å; L538-F761 HydrophobicContact CD2-CD1 4.03Å; L538-F761 HydrophobicContact CD2-CE1 3.68Å; L538-V767 HydrophobicContact CD1-CG1 4.45Å; L538-V767 HydrophobicContact CD2-CG1 3.47Å; L538-V767 VanDerWaalsContact CD2-CG1 3.47Å; L538-V767 HydrophobicContact CG-CG1 4.01Å |
| 539 | D | 87.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 178.5 | -61.7 | -109.4 | 0 | 0 | 0 | 112.1 | L536 R541 L542 M543 V571 F699 | L536-D539 PolarHBondContact O-N 2.61Å; D539-R541 VanDerWaalsContact C-N 3.32Å; D539-R541 PolarHBondContact O-N 3.4Å; D539-L542 WeakPolarHBondContact O-CB 3.5Å; D539-L542 PolarHBondContact O-N 3.16Å; D539-M543 WeakPolarHBondContact O-CG 3.33Å; D539-M543 PolarHBondContact O-N 3.12Å; D539-V571 HydrophobicContact CB-CG1 4.05Å; D539-V571 HydrophobicContact CB-CG2 4.17Å; D539-F699 PolarHBondContact OD1-N 3.16Å |
| 540 | K | 86.5 | Confident | 86.1 | Confident | 24 Ų | 24 | 19.7 Ų | 19.7 | 10% | 0.104 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.4 | -46.5 | 177.3 | 173.2 | 170.3 | 178 | 173 | 0 | 112.2 | M385 L536 L538 L542 M543 E544 V571 P573 | M385-K540 VanDerWaalsContact CE-NZ 3.26Å; M385-K540 VanDerWaalsContact SD-CE 3.51Å; M385-K540 PolarHBondContact SD-NZ 3.45Å; L536-K540 WeakPolarHBondContact O-CB 3.46Å; L536-K540 PolarHBondContact O-N 3.21Å; L538-K540 PolarHBondContact O-N 3.25Å; K540-L542 VanDerWaalsContact C-N 3.31Å; K540-L542 PolarHBondContact O-N 3Å; K540-M543 PolarHBondContact O-N 3.16Å; K540-E544 WeakPolarHBondContact O-CG 3.34Å; K540-E544 PolarHBondContact O-N 2.93Å; K540-V571 HydrophobicContact CB-CB 4.15Å; K540-V571 HydrophobicContact CB-CG1 4.13Å; K540-P573 HydrophobicContact CB-CG 4.17Å; K540-P573 VanDerWaalsContact CD-CD 3.43Å; K540-P573 HydrophobicContact CD-CG 3.86Å |
| 541 | R | 83.2 | Confident | 86 | Confident | 18 Ų | 18 | 20.6 Ų | 20.6 | 7% | 0.068 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.5 | -34.6 | 179.9 | -64.7 | -63.3 | 171.5 | 164.6 | 1.7 | 112.5 | S350 R537 L538 D539 M543 E544 F545 F761 | S350-R541 VanDerWaalsContact C-NH2 3.31Å; S350-R541 VanDerWaalsContact CB-CZ 3.4Å; S350-R541 PolarHBondContact O-NH1 3.03Å; S350-R541 PolarHBondContact O-NH2 2.77Å; S350-R541 PolarHBondContact OG-NH1 3.48Å; R537-R541 WeakPolarHBondContact O-CG 3.18Å; R537-R541 PolarHBondContact O-N 3.36Å; R537-R541 VanDerWaalsContact O-N 3.15Å; L538-R541 PolarHBondContact O-N 3.49Å; D539-R541 VanDerWaalsContact C-N 3.32Å; D539-R541 PolarHBondContact O-N 3.4Å; R541-M543 VanDerWaalsContact C-N 3.31Å; R541-E544 WeakPolarHBondContact CD-OE2 3.25Å; R541-E544 IonicContact CZ-OE2 2.84Å; R541-E544 IonicContact NE-OE2 2.76Å; R541-E544 IonicContact NH1-OE2 3.52Å; R541-E544 PolarHBondContact NH1-OE2 2.99Å; R541-E544 WeakPolarHBondContact O-CB 3.3Å; R541-E544 PolarHBondContact O-N 3.45Å; R541-F545 WeakPolarHBondContact O-CB 3.46Å; R541-F545 PolarHBondContact O-N 2.99Å; R541-F761 HydrophobicContact CB-CD1 4.27Å; R541-F761 HydrophobicContact CB-CE1 3.26Å; R541-F761 HydrophobicContact CB-CE2 4.04Å; R541-F761 HydrophobicContact CB-CZ 3.13Å; R541-F761 HydrophobicContact CG-CD1 4.23Å; R541-F761 HydrophobicContact CG-CE1 3.58Å; R541-F761 HydrophobicContact CG-CZ 3.96Å |
| 542 | L | 87.4 | Confident | 86 | Confident | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 173.6 | -170.6 | 73.2 | 0 | 0 | 0 | 111.5 | L538 D539 K540 F545 N546 L675 F699 | L538-L542 PolarHBondContact O-N 3.32Å; D539-L542 WeakPolarHBondContact O-CB 3.5Å; D539-L542 PolarHBondContact O-N 3.16Å; K540-L542 VanDerWaalsContact C-N 3.31Å; K540-L542 PolarHBondContact O-N 3Å; L542-F545 WeakPolarHBondContact O-CB 3.44Å; L542-F545 PolarHBondContact O-N 3.41Å; L542-N546 WeakPolarHBondContact O-CB 3.35Å; L542-N546 VanDerWaalsContact O-CG 3.24Å; L542-N546 PolarHBondContact O-N 3.03Å; L542-N546 PolarHBondContact O-ND2 2.87Å; L542-L675 HydrophobicContact CD1-CD1 3.18Å; L542-F699 HydrophobicContact CD2-CB 3.61Å; L542-F699 HydrophobicContact CD2-CD1 2.97Å; L542-F699 HydrophobicContact CD2-CD2 3.52Å; L542-F699 HydrophobicContact CD2-CE1 3.29Å; L542-F699 HydrophobicContact CD2-CE2 3.79Å; L542-F699 HydrophobicContact CD2-CG 3.07Å; L542-F699 HydrophobicContact CD2-CZ 3.68Å; L542-F699 HydrophobicContact CG-CD1 4.47Å; L542-F699 HydrophobicContact CG-CG 4.43Å |
| 543 | M | 89.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 18.8 Ų | 18.8 | 4% | 0.039 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 173.4 | -66.2 | -58.3 | 110.2 | 0 | 0 | 111.3 | D539 K540 R541 F545 N546 N547 T568 Y569 V571 F699 | D539-M543 WeakPolarHBondContact O-CG 3.33Å; D539-M543 PolarHBondContact O-N 3.12Å; K540-M543 PolarHBondContact O-N 3.16Å; R541-M543 VanDerWaalsContact C-N 3.31Å; M543-F545 VanDerWaalsContact C-N 3.33Å; M543-F545 PolarHBondContact O-N 3.45Å; M543-N546 PolarHBondContact O-N 3Å; M543-N547 WeakPolarHBondContact O-CB 3.35Å; M543-N547 VanDerWaalsContact O-CG 3.28Å; M543-N547 PolarHBondContact O-N 3.45Å; M543-N547 PolarHBondContact O-ND2 2.68Å; M543-T568 HydrophobicContact SD-CG2 4.21Å; M543-Y569 HydrophobicContact CE-CE1 4.29Å; M543-Y569 VanDerWaalsContact CG-O 3.25Å; M543-Y569 WeakPolarHBondContact CG-O 3.45Å; M543-Y569 HydrophobicContact SD-CD1 4.15Å; M543-Y569 HydrophobicContact SD-CD2 4.26Å; M543-Y569 HydrophobicContact SD-CE1 4.13Å; M543-Y569 HydrophobicContact SD-CE2 4.24Å; M543-Y569 HydrophobicContact SD-CG 4.22Å; M543-V571 HydrophobicContact CG-CG2 4.03Å; M543-F699 HydrophobicContact CE-CD2 3.94Å; M543-F699 HydrophobicContact CE-CE2 3.29Å; M543-F699 HydrophobicContact CE-CZ 3.91Å |
| 544 | E | 86.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 15.7 Ų | 15.7 | 21% | 0.206 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.5 | -44.1 | 172.6 | -68.1 | 172.3 | -170.6 | 0 | 0 | 111.9 | S350 K540 R541 N547 L548 | S350-E544 WeakPolarHBondContact CB-OE1 3.49Å; S350-E544 VanDerWaalsContact CB-OE2 3.25Å; S350-E544 WeakPolarHBondContact CB-OE2 3.23Å; S350-E544 VanDerWaalsContact OG-CD 3.24Å; S350-E544 PolarHBondContact OG-OE1 2.97Å; S350-E544 PolarHBondContact OG-OE2 3.23Å; K540-E544 WeakPolarHBondContact O-CG 3.34Å; K540-E544 PolarHBondContact O-N 2.93Å; R541-E544 WeakPolarHBondContact CD-OE2 3.25Å; R541-E544 IonicContact CZ-OE2 2.84Å; R541-E544 IonicContact NE-OE2 2.76Å; R541-E544 IonicContact NH1-OE2 3.52Å; R541-E544 PolarHBondContact NH1-OE2 2.99Å; R541-E544 WeakPolarHBondContact O-CB 3.3Å; R541-E544 PolarHBondContact O-N 3.45Å; E544-N547 PolarHBondContact O-N 3.37Å; E544-L548 PolarHBondContact O-N 2.88Å; E544-L548 VanDerWaalsContact O-N 3.09Å |
| 545 | F | 88 | Confident | 86.9 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 175.3 | -179.4 | -86.3 | 0 | 0 | 0 | 112.2 | R541 L542 M543 N547 L548 V549 V671 L675 L754 V757 L758 | R541-F545 WeakPolarHBondContact O-CB 3.46Å; R541-F545 PolarHBondContact O-N 2.99Å; L542-F545 WeakPolarHBondContact O-CB 3.44Å; L542-F545 PolarHBondContact O-N 3.41Å; M543-F545 VanDerWaalsContact C-N 3.33Å; M543-F545 PolarHBondContact O-N 3.45Å; F545-N547 VanDerWaalsContact C-N 3.31Å; F545-N547 PolarHBondContact O-N 3.37Å; F545-L548 WeakPolarHBondContact O-CB 3.34Å; F545-L548 PolarHBondContact O-N 2.97Å; F545-L548 VanDerWaalsContact O-N 3.11Å; F545-V549 HydrophobicContact CD1-CG2 3.97Å; F545-V549 HydrophobicContact CE1-CG2 3.55Å; F545-V549 HydrophobicContact CZ-CG2 4.13Å; F545-V549 WeakPolarHBondContact O-CG2 3.29Å; F545-V549 PolarHBondContact O-N 3.43Å; F545-V671 HydrophobicContact CD1-CG1 4.39Å; F545-V671 HydrophobicContact CE1-CG1 3.94Å; F545-L675 HydrophobicContact CD1-CD1 3.87Å; F545-L675 HydrophobicContact CE1-CD1 3.81Å; F545-L675 HydrophobicContact CE1-CD2 4.18Å; F545-L675 HydrophobicContact CE1-CG 4.21Å; F545-L675 HydrophobicContact CE2-CD2 4.12Å; F545-L675 HydrophobicContact CZ-CD1 4.4Å; F545-L675 HydrophobicContact CZ-CD2 3.93Å; F545-L675 HydrophobicContact CZ-CG 4.36Å; F545-L754 HydrophobicContact CD2-CD2 4.37Å; F545-L754 HydrophobicContact CE2-CB 3.92Å; F545-L754 HydrophobicContact CE2-CD2 3.75Å; F545-L754 HydrophobicContact CE2-CG 4.32Å; F545-L754 HydrophobicContact CZ-CB 4.43Å; F545-L754 HydrophobicContact CZ-CD1 4.48Å; F545-L754 HydrophobicContact CZ-CD2 3.89Å; F545-L754 HydrophobicContact CZ-CG 4.49Å; F545-V757 HydrophobicContact CB-CG1 4.42Å; F545-L758 HydrophobicContact CD2-CD1 4.47Å; F545-L758 HydrophobicContact CD2-CD2 3.64Å; F545-L758 HydrophobicContact CD2-CG 3.95Å; F545-L758 HydrophobicContact CE2-CD1 3.9Å; F545-L758 HydrophobicContact CE2-CD2 3.89Å; F545-L758 HydrophobicContact CE2-CG 3.87Å; F545-L758 HydrophobicContact CG-CD2 4.45Å |
| 546 | N | 91.1 | Very high | 87 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 179.7 | -73.1 | -21.4 | 0 | 0 | 0 | 111.7 | L542 M543 L548 V549 N550 V566 T568 | L542-N546 WeakPolarHBondContact O-CB 3.35Å; L542-N546 VanDerWaalsContact O-CG 3.24Å; L542-N546 PolarHBondContact O-N 3.03Å; L542-N546 PolarHBondContact O-ND2 2.87Å; M543-N546 PolarHBondContact O-N 3Å; N546-L548 VanDerWaalsContact C-N 3.31Å; N546-L548 PolarHBondContact O-N 3.07Å; N546-V549 PolarHBondContact O-N 2.94Å; N546-N550 WeakPolarHBondContact O-CB 3.12Å; N546-N550 PolarHBondContact O-N 3.06Å; N546-N550 PolarHBondContact O-ND2 3.45Å; N546-V566 HydrophobicContact CB-CB 4.39Å; N546-V566 HydrophobicContact CB-CG1 4.09Å; N546-T568 HydrophobicContact CB-CG2 3.47Å; N546-T568 VanDerWaalsContact CB-CG2 3.47Å |
| 547 | N | 88.3 | Confident | 86.8 | Confident | 29 Ų | 29 | 24.2 Ų | 24.2 | 16% | 0.155 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.7 | -36.5 | 172.5 | -73.4 | -30.2 | 0 | 0 | 0 | 112.3 | E474 M543 E544 F545 N550 T551 T568 | E474-N547 PolarHBondContact OE1-ND2 3.48Å; M543-N547 WeakPolarHBondContact O-CB 3.35Å; M543-N547 VanDerWaalsContact O-CG 3.28Å; M543-N547 PolarHBondContact O-N 3.45Å; M543-N547 PolarHBondContact O-ND2 2.68Å; E544-N547 PolarHBondContact O-N 3.37Å; F545-N547 VanDerWaalsContact C-N 3.31Å; F545-N547 PolarHBondContact O-N 3.37Å; N547-N550 PolarHBondContact O-N 3.35Å; N547-T551 WeakPolarHBondContact O-CB 3.5Å; N547-T551 PolarHBondContact O-N 3.49Å; N547-T551 PolarHBondContact O-OG1 3.41Å; N547-T568 WeakPolarHBondContact OD1-CB 3.35Å; N547-T568 WeakPolarHBondContact OD1-CG2 2.99Å; N547-T568 PolarHBondContact OD1-OG1 3.4Å |
| 548 | L | 86.7 | Confident | 86.9 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 172.6 | -176 | 59.2 | 0 | 0 | 0 | 111.5 | H283 E544 F545 N546 N550 T551 C552 M753 L754 V757 | H283-L548 HydrophobicContact CB-CD1 3.43Å; H283-L548 VanDerWaalsContact CB-CD1 3.43Å; E544-L548 PolarHBondContact O-N 2.88Å; E544-L548 VanDerWaalsContact O-N 3.09Å; F545-L548 WeakPolarHBondContact O-CB 3.34Å; F545-L548 PolarHBondContact O-N 2.97Å; F545-L548 VanDerWaalsContact O-N 3.11Å; N546-L548 VanDerWaalsContact C-N 3.31Å; N546-L548 PolarHBondContact O-N 3.07Å; L548-N550 PolarHBondContact O-N 3.25Å; L548-T551 WeakPolarHBondContact O-CB 3.39Å; L548-T551 PolarHBondContact O-N 3.29Å; L548-C552 PolarHBondContact O-N 2.93Å; L548-C552 PolarHBondContact O-SG 2.79Å; L548-C552 VanDerWaalsContact O-SG 3.37Å; L548-M753 HydrophobicContact CD1-CE 3.36Å; L548-M753 HydrophobicContact CD1-CG 4.33Å; L548-M753 HydrophobicContact CD1-SD 3.77Å; L548-M753 HydrophobicContact CD2-CE 3.84Å; L548-M753 HydrophobicContact CD2-CG 4.11Å; L548-M753 HydrophobicContact CG-CE 3.54Å; L548-M753 HydrophobicContact CG-SD 4.46Å; L548-L754 HydrophobicContact CD2-CD2 3.9Å; L548-L754 HydrophobicContact CG-CD2 4.1Å; L548-V757 HydrophobicContact CD2-CB 4.44Å; L548-V757 HydrophobicContact CD2-CG2 3.51Å |
| 549 | V | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | F545 N546 T551 C552 L553 V671 L747 L754 | F545-V549 HydrophobicContact CD1-CG2 3.97Å; F545-V549 HydrophobicContact CE1-CG2 3.55Å; F545-V549 HydrophobicContact CZ-CG2 4.13Å; F545-V549 WeakPolarHBondContact O-CG2 3.29Å; F545-V549 PolarHBondContact O-N 3.43Å; N546-V549 PolarHBondContact O-N 2.94Å; V549-T551 VanDerWaalsContact C-N 3.29Å; V549-T551 PolarHBondContact O-N 2.97Å; V549-C552 WeakPolarHBondContact O-CB 3.39Å; V549-C552 PolarHBondContact O-N 3.11Å; V549-C552 VanDerWaalsContact O-N 3.11Å; V549-L553 HydrophobicContact CG1-CD1 3.83Å; V549-L553 HydrophobicContact CG1-CG 4.2Å; V549-L553 WeakPolarHBondContact O-CG 3.39Å; V549-L553 PolarHBondContact O-N 3.45Å; V549-V671 HydrophobicContact CG1-CG2 4.1Å; V549-V671 HydrophobicContact CG2-CG2 4.39Å; V549-L747 HydrophobicContact CG2-CD2 3.98Å; V549-L754 HydrophobicContact CG2-CD2 4.02Å |
| 550 | N | 91.6 | Very high | 87.3 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | 175.1 | -77.9 | -24 | 0 | 0 | 0 | 112 | N546 N547 L548 C552 L553 L554 R565 V566 | N546-N550 WeakPolarHBondContact O-CB 3.12Å; N546-N550 PolarHBondContact O-N 3.06Å; N546-N550 PolarHBondContact O-ND2 3.45Å; N547-N550 PolarHBondContact O-N 3.35Å; L548-N550 PolarHBondContact O-N 3.25Å; N550-C552 VanDerWaalsContact C-N 3.3Å; N550-C552 PolarHBondContact O-N 3.41Å; N550-L553 PolarHBondContact O-N 3.02Å; N550-L554 WeakPolarHBondContact O-CB 3.47Å; N550-L554 VanDerWaalsContact O-CG 3.29Å; N550-L554 WeakPolarHBondContact O-CG 3.15Å; N550-L554 PolarHBondContact O-N 2.94Å; N550-R565 WeakPolarHBondContact OD1-CA 3.37Å; N550-V566 PolarHBondContact ND2-O 3.01Å; N550-V566 PolarHBondContact OD1-N 2.81Å; N550-V566 PolarHBondContact OD1-O 2.65Å |
| 551 | T | 86.8 | Confident | 87.1 | Confident | 20 Ų | 20 | 34.1 Ų | 34.1 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | L479 N547 L548 V549 R555 | L479-T551 HydrophobicContact CD1-CG2 3.82Å; L479-T551 HydrophobicContact CD2-CG2 3.47Å; L479-T551 VanDerWaalsContact CD2-CG2 3.47Å; L479-T551 HydrophobicContact CG-CG2 4.3Å; N547-T551 WeakPolarHBondContact O-CB 3.5Å; N547-T551 PolarHBondContact O-N 3.49Å; N547-T551 PolarHBondContact O-OG1 3.41Å; L548-T551 WeakPolarHBondContact O-CB 3.39Å; L548-T551 PolarHBondContact O-N 3.29Å; V549-T551 VanDerWaalsContact C-N 3.29Å; V549-T551 PolarHBondContact O-N 2.97Å; T551-R555 VanDerWaalsContact O-CG 3.3Å; T551-R555 WeakPolarHBondContact O-CG 3.39Å; T551-R555 PolarHBondContact O-N 3.43Å |
| 552 | C | 88.6 | Confident | 87.3 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.2 | -48.7 | 173.8 | -65 | 0 | 0 | 0 | 0 | 112.2 | L548 V549 N550 L554 R555 E556 L746 M753 | L548-C552 PolarHBondContact O-N 2.93Å; L548-C552 PolarHBondContact O-SG 2.79Å; L548-C552 VanDerWaalsContact O-SG 3.37Å; V549-C552 WeakPolarHBondContact O-CB 3.39Å; V549-C552 PolarHBondContact O-N 3.11Å; V549-C552 VanDerWaalsContact O-N 3.11Å; N550-C552 VanDerWaalsContact C-N 3.3Å; N550-C552 PolarHBondContact O-N 3.41Å; C552-L554 PolarHBondContact O-N 3.37Å; C552-R555 WeakPolarHBondContact O-CB 3.19Å; C552-R555 PolarHBondContact O-N 3.3Å; C552-E556 PolarHBondContact O-N 3.36Å; C552-E556 VanDerWaalsContact O-N 3.14Å; C552-L746 VanDerWaalsContact C-CD1 3.49Å; C552-L746 HydrophobicContact CB-CD1 3.71Å; C552-L746 HydrophobicContact CB-CD2 3.26Å; C552-L746 HydrophobicContact CB-CG 3.83Å; C552-L746 WeakPolarHBondContact O-CD1 3.09Å; C552-M753 WeakPolarHBondContact SG-CE 3.35Å |
| 553 | L | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.5 | -38.5 | 179.5 | -70.5 | 168.8 | 0 | 0 | 0 | 111.1 | V549 N550 E556 C559 M564 V667 L746 | V549-L553 HydrophobicContact CG1-CD1 3.83Å; V549-L553 HydrophobicContact CG1-CG 4.2Å; V549-L553 WeakPolarHBondContact O-CG 3.39Å; V549-L553 PolarHBondContact O-N 3.45Å; N550-L553 PolarHBondContact O-N 3.02Å; L553-E556 PolarHBondContact O-N 3.03Å; L553-C559 HydrophobicContact CB-CB 4.27Å; L553-C559 HydrophobicContact CD2-CB 3.98Å; L553-C559 WeakPolarHBondContact O-CB 3.46Å; L553-M564 HydrophobicContact CD2-CB 4.31Å; L553-M564 HydrophobicContact CD2-CE 4.27Å; L553-V667 HydrophobicContact CD1-CG1 3.83Å; L553-L746 HydrophobicContact CD2-CD1 4.13Å; L553-L746 HydrophobicContact CG-CD1 4.47Å |
| 554 | L | 87.3 | Confident | 87.7 | Confident | 88 Ų | 88 | 41.8 Ų | 41.8 | 46% | 0.461 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.1 | -32.9 | 175.4 | -74.4 | 171.8 | 0 | 0 | 0 | 112.8 | N550 C552 E556 R560 | N550-L554 WeakPolarHBondContact O-CB 3.47Å; N550-L554 VanDerWaalsContact O-CG 3.29Å; N550-L554 WeakPolarHBondContact O-CG 3.15Å; N550-L554 PolarHBondContact O-N 2.94Å; C552-L554 PolarHBondContact O-N 3.37Å; L554-E556 VanDerWaalsContact C-N 3.33Å; L554-R560 PolarHBondContact O-NE 2.92Å; L554-R560 PolarHBondContact O-NH2 3.42Å |
| 555 | R | 83 | Confident | 88 | Confident | 68 Ų | 68 | 44 Ų | 44 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.2 | -34 | 177 | -72.9 | 167.8 | -175.3 | -151.8 | -8 | 111.8 | K280 L479 T551 C552 P557 R560 | K280-R555 PolarHBondContact O-NH1 2.86Å; K280-R555 PolarHBondContact O-NH2 3.06Å; L479-R555 HydrophobicContact CD2-CG 4.46Å; L479-R555 VanDerWaalsContact CD2-NE 3.29Å; T551-R555 VanDerWaalsContact O-CG 3.3Å; T551-R555 WeakPolarHBondContact O-CG 3.39Å; T551-R555 PolarHBondContact O-N 3.43Å; C552-R555 WeakPolarHBondContact O-CB 3.19Å; C552-R555 PolarHBondContact O-N 3.3Å; R555-P557 WeakPolarHBondContact O-CD 3.46Å; R555-R560 PolarHBondContact O-NH2 2.98Å |
| 556 | E | 84 | Confident | 88.3 | Confident | 74 Ų | 74 | 44.4 Ų | 44.4 | 35% | 0.346 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -78.9 | 119 | -177.8 | -172.6 | 53.6 | -144.9 | 0 | 0 | 111.9 | C552 L553 L554 E558 C559 R560 L746 | C552-E556 PolarHBondContact O-N 3.36Å; C552-E556 VanDerWaalsContact O-N 3.14Å; L553-E556 PolarHBondContact O-N 3.03Å; L554-E556 VanDerWaalsContact C-N 3.33Å; E556-E558 VanDerWaalsContact C-N 3.33Å; E556-E558 PolarHBondContact O-N 3.13Å; E556-C559 HydrophobicContact CB-CB 4.05Å; E556-C559 HydrophobicContact CG-CB 4.34Å; E556-C559 PolarHBondContact O-N 3.21Å; E556-R560 WeakPolarHBondContact O-CB 3.47Å; E556-R560 PolarHBondContact O-N 3.38Å; E556-L746 HydrophobicContact CB-CD1 4.03Å |
| 557 | P | 81 | Confident | 88.4 | Confident | 60 Ų | 60 | 48 Ų | 48 | 39% | 0.39 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | -174.4 | -25.8 | 34.9 | 0 | 0 | 0 | 113.9 | R555 R560 R561 | R555-P557 WeakPolarHBondContact O-CD 3.46Å; P557-R560 PolarHBondContact O-N 3.37Å; P557-R561 WeakPolarHBondContact O-CB 3.39Å; P557-R561 PolarHBondContact O-N 2.93Å |
| 558 | E | 84.5 | Confident | 88.6 | Confident | 70 Ų | 70 | 47 Ų | 47 | 33% | 0.327 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.8 | -38 | -179.9 | -84.1 | -142.8 | -145.8 | 0 | 0 | 113.2 | E556 R562 L742 | E556-E558 VanDerWaalsContact C-N 3.33Å; E556-E558 PolarHBondContact O-N 3.13Å; E558-R562 WeakPolarHBondContact O-CG 3.35Å; E558-R562 PolarHBondContact O-N 3.48Å; E558-R562 PolarHBondContact O-NH1 3.12Å; E558-R562 IonicContact OE2-CZ 2.76Å; E558-R562 IonicContact OE2-NH1 3.8Å; E558-R562 PolarHBondContact OE2-NH1 3.31Å; E558-R562 IonicContact OE2-NH2 3.59Å; E558-R562 PolarHBondContact OE2-NH2 2.97Å; E558-R562 VanDerWaalsContact OE2-NH2 3.12Å; E558-L742 HydrophobicContact CB-CD1 4.32Å; E558-L742 HydrophobicContact CB-CD2 4.04Å |
| 559 | C | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.3 | -42.3 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | L553 E556 R562 R563 M564 | L553-C559 HydrophobicContact CB-CB 4.27Å; L553-C559 HydrophobicContact CD2-CB 3.98Å; L553-C559 WeakPolarHBondContact O-CB 3.46Å; E556-C559 HydrophobicContact CB-CB 4.05Å; E556-C559 HydrophobicContact CG-CB 4.34Å; E556-C559 PolarHBondContact O-N 3.21Å; C559-R562 CarbonylContact O-C 3.15Å; C559-R562 PolarHBondContact O-N 2.91Å; C559-R563 PolarHBondContact O-N 3.42Å; C559-R563 VanDerWaalsContact O-N 3.09Å; C559-M564 HydrophobicContact CB-CB 4.31Å; C559-M564 HydrophobicContact CB-SD 4.21Å; C559-M564 PolarHBondContact O-N 3.02Å |
| 560 | R | 86.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 47.6 Ų | 47.6 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.9 | -168.3 | -169.7 | -51.5 | 152.6 | 12.5 | 112.2 | L480 L554 R555 E556 P557 R562 R563 | L480-R560 VanDerWaalsContact CD2-CZ 3.48Å; L554-R560 PolarHBondContact O-NE 2.92Å; L554-R560 PolarHBondContact O-NH2 3.42Å; R555-R560 PolarHBondContact O-NH2 2.98Å; E556-R560 WeakPolarHBondContact O-CB 3.47Å; E556-R560 PolarHBondContact O-N 3.38Å; P557-R560 PolarHBondContact O-N 3.37Å; R560-R562 PolarHBondContact O-N 3.28Å; R560-R563 PolarHBondContact O-N 2.99Å |
| 561 | R | 82.1 | Confident | 88.9 | Confident | 105 Ų | 105 | 47 Ų | 47 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.2 | -39 | 175.4 | -175.7 | 177.9 | 69.3 | 169.4 | -0 | 111.3 | P557 R563 | P557-R561 WeakPolarHBondContact O-CB 3.39Å; P557-R561 PolarHBondContact O-N 2.93Å; R561-R563 VanDerWaalsContact C-N 3.28Å; R561-R563 PolarHBondContact O-N 3.27Å |
| 562 | R | 88.3 | Confident | 89.1 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.4 | 178.9 | -66.6 | 175.7 | -177.5 | 87.4 | -11.6 | 113.5 | E558 C559 R560 M564 R663 | E558-R562 WeakPolarHBondContact O-CG 3.35Å; E558-R562 PolarHBondContact O-N 3.48Å; E558-R562 PolarHBondContact O-NH1 3.12Å; E558-R562 IonicContact OE2-CZ 2.76Å; E558-R562 IonicContact OE2-NH1 3.8Å; E558-R562 PolarHBondContact OE2-NH1 3.31Å; E558-R562 IonicContact OE2-NH2 3.59Å; E558-R562 PolarHBondContact OE2-NH2 2.97Å; E558-R562 VanDerWaalsContact OE2-NH2 3.12Å; C559-R562 CarbonylContact O-C 3.15Å; C559-R562 PolarHBondContact O-N 2.91Å; R560-R562 PolarHBondContact O-N 3.28Å; R562-M564 HydrophobicContact CB-CG 3.84Å; R562-M564 HydrophobicContact CB-SD 4.21Å; R562-M564 PolarHBondContact O-N 3.46Å; R562-M564 VanDerWaalsContact O-N 3.15Å; R562-R663 VanDerWaalsContact O-CD 3.24Å; R562-R663 WeakPolarHBondContact O-CD 3.29Å; R562-R663 PolarHBondContact O-NE 3.2Å; R562-R663 PolarHBondContact O-NH1 3.21Å |
| 563 | R | 90.1 | Very high | 89.2 | Confident | 146 Ų | 146 | 46 Ų | 46 | 55% | 0.551 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 38.1 | -174.5 | -55.3 | -176.3 | -170.9 | 171.1 | 7.5 | 112.7 | D35 C559 R560 R561 R565 | D35-R563 IonicContact OD1-NH1 3.85Å; D35-R563 IonicContact OD1-NH2 3.95Å; C559-R563 PolarHBondContact O-N 3.42Å; C559-R563 VanDerWaalsContact O-N 3.09Å; R560-R563 PolarHBondContact O-N 2.99Å; R561-R563 VanDerWaalsContact C-N 3.28Å; R561-R563 PolarHBondContact O-N 3.27Å; R563-R565 PolarHBondContact O-N 3.27Å |
| 564 | M | 94.1 | Very high | 89 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | trans | -68.1 | 126.6 | 179.8 | -69.8 | 174 | 63.1 | 0 | 0 | 110 | L553 C559 R562 V667 C739 L742 T743 | L553-M564 HydrophobicContact CD2-CB 4.31Å; L553-M564 HydrophobicContact CD2-CE 4.27Å; C559-M564 HydrophobicContact CB-CB 4.31Å; C559-M564 HydrophobicContact CB-SD 4.21Å; C559-M564 PolarHBondContact O-N 3.02Å; R562-M564 HydrophobicContact CB-CG 3.84Å; R562-M564 HydrophobicContact CB-SD 4.21Å; R562-M564 PolarHBondContact O-N 3.46Å; R562-M564 VanDerWaalsContact O-N 3.15Å; M564-V667 HydrophobicContact CB-CG2 4.11Å; M564-V667 HydrophobicContact CE-CG2 3.55Å; M564-V667 HydrophobicContact CG-CG2 4.46Å; M564-C739 HydrophobicContact CE-CB 3.78Å; M564-C739 WeakPolarHBondContact CE-O 3.05Å; M564-C739 HydrophobicContact SD-CB 4.24Å; M564-L742 HydrophobicContact CE-CB 4.22Å; M564-L742 HydrophobicContact SD-CB 4.39Å; M564-L742 HydrophobicContact SD-CD1 4.06Å; M564-T743 WeakPolarHBondContact CE-OG1 3.35Å | ||
| 565 | R | 94.4 | Very high | 88.8 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 34% | 0.343 | 18% | 0.18 | S | C | . | . | trans | -154.7 | 161.3 | 177.1 | 66.9 | -178.4 | -170.2 | 141.3 | -3.7 | 111.2 | N550 R563 E693 | N550-R565 WeakPolarHBondContact OD1-CA 3.37Å; R563-R565 PolarHBondContact O-N 3.27Å; R565-E693 IonicContact CZ-OE1 3.92Å; R565-E693 IonicContact CZ-OE2 3.81Å; R565-E693 IonicContact NE-OE1 2.83Å; R565-E693 PolarHBondContact NE-OE1 2.68Å; R565-E693 IonicContact NE-OE2 2.93Å; R565-E693 IonicContact NH2-OE1 3.09Å; R565-E693 PolarHBondContact NH2-OE1 3.46Å; R565-E693 IonicContact NH2-OE2 3.87Å; R565-E693 PolarHBondContact NH2-OE2 3.48Å | ||
| 566 | V | 94.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | trans | -99.1 | 133.1 | 161.8 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | N546 N550 T568 V667 M668 | N546-V566 HydrophobicContact CB-CB 4.39Å; N546-V566 HydrophobicContact CB-CG1 4.09Å; N550-V566 PolarHBondContact ND2-O 3.01Å; N550-V566 PolarHBondContact OD1-N 2.81Å; N550-V566 PolarHBondContact OD1-O 2.65Å; V566-T568 PolarHBondContact O-N 3.31Å; V566-V667 HydrophobicContact CG2-CB 4.41Å; V566-V667 HydrophobicContact CG2-CG1 3.41Å; V566-V667 VanDerWaalsContact CG2-CG1 3.41Å; V566-M668 HydrophobicContact CG1-SD 3.81Å | ||
| 567 | R | 92.3 | Very high | 88.5 | Confident | 77 Ų | 77 | 42 Ų | 42 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | trans | -72.3 | 118 | 173.3 | -164.1 | 65.3 | 164.1 | 132.3 | -3.4 | 109 | E693 V695 | R567-E693 WeakPolarHBondContact CD-OE2 3.44Å; R567-E693 IonicContact NE-OE2 3.31Å; R567-V695 HydrophobicContact CB-CG1 4.46Å; R567-V695 HydrophobicContact CB-CG2 3.92Å; R567-V695 HydrophobicContact CG-CG1 4.5Å; R567-V695 HydrophobicContact CG-CG2 3.85Å | ||
| 568 | T | 92.4 | Very high | 88.8 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | trans | -108.7 | 161.3 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | Q470 M543 N546 N547 V566 | Q470-T568 PolarHBondContact NE2-OG1 3.41Å; Q470-T568 PolarHBondContact OE1-O 2.96Å; M543-T568 HydrophobicContact SD-CG2 4.21Å; N546-T568 HydrophobicContact CB-CG2 3.47Å; N546-T568 VanDerWaalsContact CB-CG2 3.47Å; N547-T568 WeakPolarHBondContact OD1-CB 3.35Å; N547-T568 WeakPolarHBondContact OD1-CG2 2.99Å; N547-T568 PolarHBondContact OD1-OG1 3.4Å; V566-T568 PolarHBondContact O-N 3.31Å | ||
| 569 | Y | 92.2 | Very high | 89.1 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | trans | -151.9 | 157.7 | 179.5 | 53.5 | -99.7 | 0 | 0 | 0 | 108.9 | M543 V571 V581 V584 V697 F699 | M543-Y569 HydrophobicContact CE-CE1 4.29Å; M543-Y569 VanDerWaalsContact CG-O 3.25Å; M543-Y569 WeakPolarHBondContact CG-O 3.45Å; M543-Y569 HydrophobicContact SD-CD1 4.15Å; M543-Y569 HydrophobicContact SD-CD2 4.26Å; M543-Y569 HydrophobicContact SD-CE1 4.13Å; M543-Y569 HydrophobicContact SD-CE2 4.24Å; M543-Y569 HydrophobicContact SD-CG 4.22Å; Y569-V571 HydrophobicContact CD2-CG2 3.81Å; Y569-V571 HydrophobicContact CE2-CG2 3.57Å; Y569-V581 HydrophobicContact CD2-CG1 3.75Å; Y569-V581 HydrophobicContact CE2-CG1 3.58Å; Y569-V584 HydrophobicContact CD1-CG2 4.43Å; Y569-V584 HydrophobicContact CG-CG2 4.46Å; Y569-V697 HydrophobicContact CE1-CG1 4.29Å; Y569-F699 VanDerWaalsContact OH-CE2 3.27Å; Y569-F699 WeakPolarHBondContact OH-CE2 3.28Å | ||
| 570 | T | 91.8 | Very high | 89.2 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | trans | -77.3 | 137 | -178.4 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | P468 Q470 M473 E582 | P468-T570 WeakPolarHBondContact O-CG2 3.47Å; Q470-T570 WeakPolarHBondContact CA-OG1 3.47Å; Q470-T570 WeakPolarHBondContact CB-OG1 3.36Å; Q470-T570 PolarHBondContact N-OG1 3.48Å; M473-T570 HydrophobicContact CG-CG2 4.37Å; T570-E582 WeakPolarHBondContact CB-OE2 3.15Å; T570-E582 PolarHBondContact N-OE2 2.93Å; T570-E582 PolarHBondContact O-N 2.95Å; T570-E582 PolarHBondContact OG1-OE2 2.87Å; T570-E582 VanDerWaalsContact OG1-OE2 3.09Å | ||
| 571 | V | 92 | Very high | 89.5 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.7 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | L536 D539 K540 M543 Y569 V581 | L536-V571 HydrophobicContact CB-CG1 3.68Å; L536-V571 HydrophobicContact CD1-CG1 4.16Å; L536-V571 HydrophobicContact CG-CG1 4.44Å; D539-V571 HydrophobicContact CB-CG1 4.05Å; D539-V571 HydrophobicContact CB-CG2 4.17Å; K540-V571 HydrophobicContact CB-CB 4.15Å; K540-V571 HydrophobicContact CB-CG1 4.13Å; M543-V571 HydrophobicContact CG-CG2 4.03Å; Y569-V571 HydrophobicContact CD2-CG2 3.81Å; Y569-V571 HydrophobicContact CE2-CG2 3.57Å; V571-V581 HydrophobicContact CG1-CG2 4.38Å; V571-V581 HydrophobicContact CG2-CG1 4.36Å; V571-V581 HydrophobicContact CG2-CG2 4.43Å |
| 572 | T | 91.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 95.5 | -176.9 | -56.1 | 0 | 0 | 0 | 0 | 109.6 | W384 I574 G579 L580 | W384-T572 HydrophobicContact CB-CG2 4.5Å; W384-T572 HydrophobicContact CD2-CG2 4.24Å; W384-T572 HydrophobicContact CE3-CG2 3.5Å; W384-T572 HydrophobicContact CZ3-CG2 4.01Å; T572-I574 PolarHBondContact O-N 2.99Å; T572-G579 WeakPolarHBondContact O-CA 3.29Å; T572-L580 PolarHBondContact N-O 2.64Å; T572-L580 PolarHBondContact O-N 3.17Å |
| 573 | P | 89.5 | Confident | 90.3 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 132.9 | 170 | -20.2 | 31.8 | 0 | 0 | 0 | 109.7 | A388 L536 R537 K540 | A388-P573 HydrophobicContact CB-CB 4.04Å; L536-P573 HydrophobicContact CB-CG 4.2Å; R537-P573 HydrophobicContact CG-CB 4.01Å; R537-P573 HydrophobicContact CG-CG 3.89Å; K540-P573 HydrophobicContact CB-CG 4.17Å; K540-P573 VanDerWaalsContact CD-CD 3.43Å; K540-P573 HydrophobicContact CD-CG 3.86Å |
| 574 | I | 87.6 | Confident | 90.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | trans | -105.6 | -32.3 | 179.2 | -69.6 | 177.2 | 0 | 0 | 0 | 110.7 | A388 V426 L429 V430 T572 C578 L580 | A388-I574 WeakPolarHBondContact CA-O 3.43Å; V426-I574 HydrophobicContact CB-CG2 4.26Å; V426-I574 HydrophobicContact CG1-CG2 3.35Å; V426-I574 HydrophobicContact CG2-CG2 4.22Å; L429-I574 HydrophobicContact CB-CD1 4.02Å; L429-I574 HydrophobicContact CD1-CD1 3.7Å; V430-I574 HydrophobicContact CG2-CG2 3.82Å; T572-I574 PolarHBondContact O-N 2.99Å; I574-C578 PolarHBondContact N-O 2.83Å; I574-L580 HydrophobicContact CD1-CD1 3.99Å; I574-L580 HydrophobicContact CD1-CG 3.76Å | ||
| 575 | G | 83 | Confident | 90.1 | Very high | 7 Ų | 7 | 29 Ų | 29 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -149.8 | -158.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | C578 | G575-C578 PolarHBondContact N-O 3.45Å; G575-C578 VanDerWaalsContact N-O 3.14Å |
| 576 | E | 79.5 | Confident | 90 | Very high | 49 Ų | 49 | 28.4 Ų | 28.4 | 23% | 0.229 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -75.1 | -35.1 | 178.5 | -63.6 | -179.7 | 172.6 | 0 | 0 | 112.2 | S393 D535 L766 | S393-E576 WeakPolarHBondContact CB-OE1 3.42Å; S393-E576 VanDerWaalsContact CB-OE2 3.28Å; S393-E576 WeakPolarHBondContact CB-OE2 3.35Å; S393-E576 PolarHBondContact N-OE1 2.97Å; S393-E576 PolarHBondContact OG-OE1 3.22Å; S393-E576 PolarHBondContact OG-OE2 3.13Å; S393-E576 VanDerWaalsContact OG-OE2 3.04Å; D535-E576 WeakPolarHBondContact CA-O 3.26Å; D535-E576 WeakPolarHBondContact CB-O 3.48Å; E576-L766 HydrophobicContact CG-CD1 4.28Å; E576-L766 VanDerWaalsContact OE1-CD1 3.28Å; E576-L766 WeakPolarHBondContact OE1-CD1 3.32Å |
| 577 | D | 82.5 | Confident | 90 | Very high | 89 Ų | 89 | 29.3 Ų | 29.3 | 48% | 0.476 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -119.7 | 17.1 | -172 | -68.3 | -19.5 | 0 | 0 | 0 | 112.3 | N532 K533 D534 | N532-D577 CarbonylContact C-O 3.33Å; K533-D577 VanDerWaalsContact CA-O 3.3Å; K533-D577 WeakPolarHBondContact CA-O 3.48Å; K533-D577 PolarHBondContact N-O 3.11Å; D534-D577 PolarHBondContact N-O 3.26Å; D534-D577 CarbonylContact O-C 3.27Å |
| 578 | C | 86.6 | Confident | 90.1 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 9% | 0.088 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 154 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | C433 K531 D534 I574 G575 | C433-C578 HydrophobicContact CB-CB 4.31Å; K531-C578 WeakPolarHBondContact O-CA 3.34Å; D534-C578 PolarHBondContact O-N 2.9Å; I574-C578 PolarHBondContact N-O 2.83Å; G575-C578 PolarHBondContact N-O 3.45Å; G575-C578 VanDerWaalsContact N-O 3.14Å |
| 579 | G | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | -172.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K531 T572 | K531-G579 PolarHBondContact N-O 3.05Å; K531-G579 VanDerWaalsContact N-O 3.07Å; K531-G579 PolarHBondContact O-N 2.85Å; T572-G579 WeakPolarHBondContact O-CA 3.29Å |
| 580 | L | 92.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.2 | -178.4 | -68.6 | 171.4 | 0 | 0 | 0 | 110.8 | W384 L429 P468 I516 M528 M529 C530 T572 I574 | W384-L580 HydrophobicContact CH2-CD1 3.99Å; W384-L580 HydrophobicContact CZ3-CD1 4.24Å; L429-L580 HydrophobicContact CD1-CD1 3.77Å; L429-L580 HydrophobicContact CD1-CG 4.47Å; L429-L580 HydrophobicContact CD2-CD2 4.39Å; P468-L580 HydrophobicContact CG-CD1 4.38Å; I516-L580 HydrophobicContact CD1-CD2 4.37Å; M528-L580 HydrophobicContact CE-CB 4.33Å; M528-L580 HydrophobicContact SD-CD1 4.33Å; M529-L580 WeakPolarHBondContact O-CA 3.34Å; C530-L580 HydrophobicContact CB-CD2 4.49Å; C530-L580 WeakPolarHBondContact SG-CD2 3.17Å; T572-L580 PolarHBondContact N-O 2.64Å; T572-L580 PolarHBondContact O-N 3.17Å; I574-L580 HydrophobicContact CD1-CD1 3.99Å; I574-L580 HydrophobicContact CD1-CG 3.76Å |
| 581 | V | 93.2 | Very high | 90.5 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 9% | 0.085 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.4 | 170.8 | -178.1 | 0 | 0 | 0 | 0 | 108 | M528 M529 K531 L536 Y569 V571 W583 | M528-V581 CarbonylContact C-O 3.57Å; M528-V581 WeakPolarHBondContact CA-O 3.41Å; M529-V581 HydrophobicContact CB-CB 4.35Å; M529-V581 PolarHBondContact N-O 2.88Å; M529-V581 PolarHBondContact O-N 3.43Å; K531-V581 HydrophobicContact CD-CG2 4.21Å; L536-V581 HydrophobicContact CD1-CG2 3.79Å; L536-V581 HydrophobicContact CD2-CG2 4.43Å; Y569-V581 HydrophobicContact CD2-CG1 3.75Å; Y569-V581 HydrophobicContact CE2-CG1 3.58Å; V571-V581 HydrophobicContact CG1-CG2 4.38Å; V571-V581 HydrophobicContact CG2-CG1 4.36Å; V571-V581 HydrophobicContact CG2-CG2 4.43Å; V581-W583 PolarHBondContact O-N 3.09Å |
| 582 | E | 93.9 | Very high | 90.5 | Very high | 41 Ų | 41 | 36 Ų | 36 | 19% | 0.192 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 126.5 | 173 | -179.1 | 176.2 | 175.2 | 0 | 0 | 110 | L469 Q470 M528 T570 | L469-E582 HydrophobicContact CD2-CG 4.27Å; Q470-E582 PolarHBondContact N-OE2 3Å; M528-E582 HydrophobicContact CE-CB 4.41Å; T570-E582 WeakPolarHBondContact CB-OE2 3.15Å; T570-E582 PolarHBondContact N-OE2 2.93Å; T570-E582 PolarHBondContact O-N 2.95Å; T570-E582 PolarHBondContact OG1-OE2 2.87Å; T570-E582 VanDerWaalsContact OG1-OE2 3.09Å |
| 583 | W | 91.9 | Very high | 90.7 | Very high | 68 Ų | 68 | 36 Ų | 36 | 26% | 0.258 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -84.6 | 119.9 | 178.8 | 179.1 | -84.1 | 0 | 0 | 0 | 109.7 | L507 K515 L527 M529 V581 N585 | L507-W583 HydrophobicContact CD1-CH2 4.32Å; L507-W583 HydrophobicContact CD1-CZ3 3.83Å; K515-W583 HydrophobicContact CD-CD2 4.14Å; K515-W583 HydrophobicContact CD-CE3 4.22Å; K515-W583 HydrophobicContact CD-CH2 4.39Å; K515-W583 HydrophobicContact CD-CZ2 4.3Å; K515-W583 HydrophobicContact CD-CZ3 4.35Å; K515-W583 HydrophobicContact CG-CD2 4.47Å; K515-W583 HydrophobicContact CG-CE3 4.44Å; L527-W583 HydrophobicContact CB-CB 3.64Å; L527-W583 HydrophobicContact CB-CG 3.87Å; L527-W583 WeakPolarHBondContact O-CB 3.45Å; L527-W583 PolarHBondContact O-N 2.86Å; M529-W583 HydrophobicContact CE-CE3 3.46Å; M529-W583 VanDerWaalsContact CE-CE3 3.46Å; M529-W583 HydrophobicContact CE-CZ3 3.4Å; M529-W583 VanDerWaalsContact CE-CZ3 3.4Å; V581-W583 PolarHBondContact O-N 3.09Å; W583-N585 PolarHBondContact NE1-OD1 2.84Å |
| 584 | V | 90.5 | Very high | 90.9 | Very high | 25 Ų | 25 | 36 Ų | 36 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 120.9 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | Y569 L587 | Y569-V584 HydrophobicContact CD1-CG2 4.43Å; Y569-V584 HydrophobicContact CG-CG2 4.46Å; V584-L587 HydrophobicContact CB-CD1 3.6Å; V584-L587 HydrophobicContact CB-CG 4Å; V584-L587 HydrophobicContact CG1-CD1 3.83Å; V584-L587 HydrophobicContact CG1-CD2 4.02Å; V584-L587 HydrophobicContact CG1-CG 3.83Å; V584-L587 WeakPolarHBondContact O-CG 3.32Å |
| 585 | N | 90.3 | Very high | 91.1 | Very high | 78 Ų | 78 | 39.2 Ų | 39.2 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 160.7 | -179.7 | -69.3 | -34.4 | 0 | 0 | 0 | 112.4 | L527 W583 L587 | L527-N585 VanDerWaalsContact CD1-OD1 3.24Å; L527-N585 WeakPolarHBondContact CD1-OD1 3.5Å; W583-N585 PolarHBondContact NE1-OD1 2.84Å; N585-L587 PolarHBondContact O-N 3.34Å |
| 586 | N | 92.6 | Very high | 91.6 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 43% | 0.428 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 15.5 | 172.5 | -49.9 | -53.7 | 0 | 0 | 0 | 114.5 | S689 N690 | N586-S689 WeakPolarHBondContact CB-OG 3.35Å; N586-S689 WeakPolarHBondContact O-CB 3.36Å; N586-S689 PolarHBondContact O-N 3.17Å; N586-S689 PolarHBondContact O-OG 2.98Å; N586-N690 PolarHBondContact ND2-ND2 3.38Å |
| 587 | L | 94.2 | Very high | 92.2 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.7 | 175 | -61.3 | -167 | 0 | 0 | 0 | 111.5 | V584 N585 L686 L687 D688 V695 | V584-L587 HydrophobicContact CB-CD1 3.6Å; V584-L587 HydrophobicContact CB-CG 4Å; V584-L587 HydrophobicContact CG1-CD1 3.83Å; V584-L587 HydrophobicContact CG1-CD2 4.02Å; V584-L587 HydrophobicContact CG1-CG 3.83Å; V584-L587 WeakPolarHBondContact O-CG 3.32Å; N585-L587 PolarHBondContact O-N 3.34Å; L587-L686 HydrophobicContact CB-CB 3.99Å; L587-L686 HydrophobicContact CB-CD2 3.73Å; L587-L686 HydrophobicContact CB-CG 4.46Å; L587-L686 HydrophobicContact CD1-CB 4.29Å; L587-L686 HydrophobicContact CD1-CD2 4.39Å; L587-L687 WeakPolarHBondContact CA-O 3.48Å; L587-D688 HydrophobicContact CD2-CB 3.75Å; L587-V695 HydrophobicContact CD1-CB 4Å; L587-V695 HydrophobicContact CD1-CG1 3.95Å; L587-V695 HydrophobicContact CD1-CG2 4.18Å; L587-V695 HydrophobicContact CD2-CB 4.32Å; L587-V695 HydrophobicContact CD2-CG2 3.74Å |
| 588 | E | 94.2 | Very high | 92.7 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.5 | 175.1 | -63.7 | -177.8 | -177.9 | 0 | 0 | 110.2 | L590 T593 L686 L687 | E588-L590 PolarHBondContact O-N 2.83Å; E588-T593 WeakPolarHBondContact CB-OG1 3.37Å; E588-T593 PolarHBondContact OE2-OG1 3.33Å; E588-L686 CarbonylContact O-C 3.58Å; E588-L686 VanDerWaalsContact O-CA 3.29Å; E588-L686 WeakPolarHBondContact O-CA 3.32Å; E588-L687 PolarHBondContact N-O 3.21Å; E588-L687 PolarHBondContact O-N 3.43Å |
| 589 | P | 95.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 20% | 0.195 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 132.7 | 176.9 | -18.8 | 30.2 | 0 | 0 | 0 | 111.9 | R591 Q592 T593 L686 | P589-R591 PolarHBondContact O-N 3.08Å; P589-R591 VanDerWaalsContact O-N 3.13Å; P589-Q592 HydrophobicContact CB-CB 4.39Å; P589-Q592 PolarHBondContact O-N 3.22Å; P589-T593 PolarHBondContact O-N 2.91Å; P589-T593 PolarHBondContact O-OG1 2.95Å; P589-L686 HydrophobicContact CG-CD2 4.02Å |
| 590 | L | 96.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -51.3 | -42.5 | -177 | 176.6 | 65.1 | 0 | 0 | 0 | 112.4 | E588 T593 M594 L640 G682 I685 L687 M723 | E588-L590 PolarHBondContact O-N 2.83Å; L590-T593 PolarHBondContact O-N 3.42Å; L590-M594 HydrophobicContact CD1-CG 3.94Å; L590-M594 HydrophobicContact CG-CG 4.39Å; L590-M594 WeakPolarHBondContact O-CB 3.23Å; L590-M594 WeakPolarHBondContact O-CG 3.31Å; L590-M594 PolarHBondContact O-N 3.34Å; L590-L640 HydrophobicContact CD1-CD1 4.01Å; L590-L640 HydrophobicContact CD1-CD2 4.06Å; L590-G682 PolarHBondContact N-O 3.34Å; L590-G682 VanDerWaalsContact N-O 3.09Å; L590-I685 HydrophobicContact CB-CB 4.47Å; L590-I685 VanDerWaalsContact CB-O 3.25Å; L590-I685 WeakPolarHBondContact CB-O 3.43Å; L590-I685 PolarHBondContact N-O 3.32Å; L590-L687 HydrophobicContact CD1-CD1 4.07Å; L590-M723 HydrophobicContact CD2-SD 4.43Å |
| 591 | R | 93.2 | Very high | 92.5 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 178.4 | -174.5 | -179.1 | -171.5 | 118.8 | 3.5 | 111.4 | P589 M594 L595 G682 E683 G838 I843 | P589-R591 PolarHBondContact O-N 3.08Å; P589-R591 VanDerWaalsContact O-N 3.13Å; R591-M594 PolarHBondContact O-N 3.06Å; R591-L595 HydrophobicContact CG-CD1 4.05Å; R591-L595 WeakPolarHBondContact O-CB 3.39Å; R591-L595 VanDerWaalsContact O-CG 3.25Å; R591-L595 WeakPolarHBondContact O-CG 3.49Å; R591-L595 PolarHBondContact O-N 3.31Å; R591-G682 PolarHBondContact N-O 3.3Å; R591-E683 HydrophobicContact CB-CG 4.32Å; R591-G838 PolarHBondContact NH1-O 3.17Å; R591-I843 HydrophobicContact CG-CD1 4.29Å |
| 592 | Q | 92.5 | Very high | 92.1 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | -178.7 | 179.2 | 172.8 | -13.8 | 0 | 0 | 110.9 | P589 M594 L595 Q596 | P589-Q592 HydrophobicContact CB-CB 4.39Å; P589-Q592 PolarHBondContact O-N 3.22Å; Q592-M594 VanDerWaalsContact C-N 3.33Å; Q592-M594 PolarHBondContact O-N 3.17Å; Q592-L595 PolarHBondContact O-N 3.5Å; Q592-Q596 WeakPolarHBondContact O-CG 3.27Å; Q592-Q596 PolarHBondContact O-N 3.28Å |
| 593 | T | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 175.6 | -60 | 0 | 0 | 0 | 0 | 111.4 | E588 P589 L590 Q596 I597 W643 L687 | E588-T593 WeakPolarHBondContact CB-OG1 3.37Å; E588-T593 PolarHBondContact OE2-OG1 3.33Å; P589-T593 PolarHBondContact O-N 2.91Å; P589-T593 PolarHBondContact O-OG1 2.95Å; L590-T593 PolarHBondContact O-N 3.42Å; T593-Q596 PolarHBondContact O-N 3.06Å; T593-I597 HydrophobicContact CG2-CD1 3.99Å; T593-I597 WeakPolarHBondContact O-CD1 3.31Å; T593-I597 VanDerWaalsContact O-CG1 3.3Å; T593-I597 WeakPolarHBondContact O-CG1 3.49Å; T593-I597 PolarHBondContact O-N 3.39Å; T593-I597 VanDerWaalsContact O-N 3.12Å; T593-W643 HydrophobicContact CG2-CB 4.47Å; T593-W643 HydrophobicContact CG2-CD2 3.93Å; T593-W643 HydrophobicContact CG2-CG 3.62Å; T593-L687 HydrophobicContact CG2-CD1 4.37Å |
| 594 | M | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | -179.6 | -71 | -59.8 | -51.2 | 0 | 0 | 112.7 | L590 R591 Q592 Q596 I597 Y598 K639 L640 N722 I843 | L590-M594 HydrophobicContact CD1-CG 3.94Å; L590-M594 HydrophobicContact CG-CG 4.39Å; L590-M594 WeakPolarHBondContact O-CB 3.23Å; L590-M594 WeakPolarHBondContact O-CG 3.31Å; L590-M594 PolarHBondContact O-N 3.34Å; R591-M594 PolarHBondContact O-N 3.06Å; Q592-M594 VanDerWaalsContact C-N 3.33Å; Q592-M594 PolarHBondContact O-N 3.17Å; M594-Q596 VanDerWaalsContact C-N 3.33Å; M594-Q596 PolarHBondContact O-N 3.41Å; M594-I597 PolarHBondContact O-N 2.96Å; M594-I597 HydrophobicContact SD-CD1 4.17Å; M594-Y598 HydrophobicContact CB-CE2 4.24Å; M594-Y598 HydrophobicContact CE-CE1 3.92Å; M594-Y598 HydrophobicContact CE-CE2 3.8Å; M594-Y598 VanDerWaalsContact CE-OH 3.24Å; M594-Y598 WeakPolarHBondContact CE-OH 3.13Å; M594-Y598 WeakPolarHBondContact O-CD2 3.24Å; M594-Y598 PolarHBondContact O-N 2.8Å; M594-K639 HydrophobicContact CE-CB 4.39Å; M594-L640 HydrophobicContact SD-CB 3.77Å; M594-L640 HydrophobicContact SD-CD1 3.94Å; M594-L640 HydrophobicContact SD-CG 4.43Å; M594-N722 HydrophobicContact CE-CB 4.37Å; M594-N722 VanDerWaalsContact CE-CG 3.47Å; M594-N722 WeakPolarHBondContact CE-OD1 3.43Å; M594-I843 HydrophobicContact CB-CG2 3.65Å; M594-I843 HydrophobicContact CG-CG2 3.54Å |
| 595 | L | 92 | Very high | 90.4 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 175.1 | -71.9 | 173 | 0 | 0 | 0 | 112.2 | R591 Q592 Y598 K599 | R591-L595 HydrophobicContact CG-CD1 4.05Å; R591-L595 WeakPolarHBondContact O-CB 3.39Å; R591-L595 VanDerWaalsContact O-CG 3.25Å; R591-L595 WeakPolarHBondContact O-CG 3.49Å; R591-L595 PolarHBondContact O-N 3.31Å; Q592-L595 PolarHBondContact O-N 3.5Å; L595-Y598 PolarHBondContact O-N 3.12Å; L595-K599 WeakPolarHBondContact O-CB 3.44Å; L595-K599 PolarHBondContact O-N 3.44Å |
| 596 | Q | 92.3 | Very high | 90.1 | Very high | 100 Ų | 100 | 53 Ų | 53 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.9 | -74.1 | 175.3 | -10.3 | 0 | 0 | 111.9 | Q592 T593 M594 K599 S600 | Q592-Q596 WeakPolarHBondContact O-CG 3.27Å; Q592-Q596 PolarHBondContact O-N 3.28Å; T593-Q596 PolarHBondContact O-N 3.06Å; M594-Q596 VanDerWaalsContact C-N 3.33Å; M594-Q596 PolarHBondContact O-N 3.41Å; Q596-K599 WeakPolarHBondContact O-CB 3.47Å; Q596-K599 PolarHBondContact O-N 2.89Å; Q596-S600 PolarHBondContact O-N 2.68Å |
| 597 | I | 92.7 | Very high | 89.6 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 178.3 | -62.1 | 155.9 | 0 | 0 | 0 | 111.5 | T593 M594 K599 S600 T601 K639 L642 W643 | T593-I597 HydrophobicContact CG2-CD1 3.99Å; T593-I597 WeakPolarHBondContact O-CD1 3.31Å; T593-I597 VanDerWaalsContact O-CG1 3.3Å; T593-I597 WeakPolarHBondContact O-CG1 3.49Å; T593-I597 PolarHBondContact O-N 3.39Å; T593-I597 VanDerWaalsContact O-N 3.12Å; M594-I597 PolarHBondContact O-N 2.96Å; M594-I597 HydrophobicContact SD-CD1 4.17Å; I597-K599 PolarHBondContact O-N 2.75Å; I597-S600 PolarHBondContact O-N 2.77Å; I597-S600 PolarHBondContact O-OG 3.42Å; I597-T601 WeakPolarHBondContact O-CB 3.41Å; I597-T601 WeakPolarHBondContact O-CG2 3.27Å; I597-T601 PolarHBondContact O-N 2.89Å; I597-T601 VanDerWaalsContact O-N 3.1Å; I597-T601 PolarHBondContact O-OG1 3.43Å; I597-K639 HydrophobicContact CG2-CB 3.7Å; I597-K639 HydrophobicContact CG2-CD 4.03Å; I597-K639 HydrophobicContact CG2-CG 4.49Å; I597-L642 HydrophobicContact CG2-CD2 4.28Å; I597-W643 HydrophobicContact CD1-CB 3.48Å; I597-W643 VanDerWaalsContact CD1-CB 3.48Å; I597-W643 HydrophobicContact CD1-CG 3.93Å |
| 598 | Y | 92.7 | Very high | 89 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 174.1 | -66.6 | -38.4 | 0 | 0 | 0 | 110.9 | M594 L595 T601 G602 T603 H636 P637 K639 N722 | M594-Y598 HydrophobicContact CB-CE2 4.24Å; M594-Y598 HydrophobicContact CE-CE1 3.92Å; M594-Y598 HydrophobicContact CE-CE2 3.8Å; M594-Y598 VanDerWaalsContact CE-OH 3.24Å; M594-Y598 WeakPolarHBondContact CE-OH 3.13Å; M594-Y598 WeakPolarHBondContact O-CD2 3.24Å; M594-Y598 PolarHBondContact O-N 2.8Å; L595-Y598 PolarHBondContact O-N 3.12Å; Y598-T601 WeakPolarHBondContact CA-OG1 3.37Å; Y598-T601 CarbonylContact O-C 3.54Å; Y598-T601 PolarHBondContact O-N 3.41Å; Y598-T601 PolarHBondContact O-OG1 3.06Å; Y598-G602 PolarHBondContact O-N 2.81Å; Y598-T603 VanDerWaalsContact CD1-OG1 3.31Å; Y598-T603 WeakPolarHBondContact CD1-OG1 3.47Å; Y598-T603 PolarHBondContact O-N 2.83Å; Y598-H636 HydrophobicContact CE2-CB 4.17Å; Y598-H636 AromaticContact CE2-CD2 3.8Å; Y598-H636 PolarHBondContact OH-O 3.06Å; Y598-P637 VanDerWaalsContact CE1-O 3.3Å; Y598-P637 WeakPolarHBondContact CE1-O 3.45Å; Y598-P637 PolarHBondContact OH-O 3.08Å; Y598-K639 HydrophobicContact CD1-CD 4.01Å; Y598-K639 HydrophobicContact CD1-CG 4.49Å; Y598-K639 HydrophobicContact CE1-CB 4.21Å; Y598-K639 HydrophobicContact CE1-CD 4.1Å; Y598-K639 HydrophobicContact CE1-CG 4.09Å; Y598-N722 PolarHBondContact OH-ND2 2.83Å |
| 599 | K | 90.7 | Very high | 88.6 | Confident | 167 Ų | 167 | 63.5 Ų | 63.5 | 73% | 0.726 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | 178.6 | -171 | 179.6 | 177.5 | -176.6 | 0 | 111.2 | L595 Q596 I597 T601 G602 V604 | L595-K599 WeakPolarHBondContact O-CB 3.44Å; L595-K599 PolarHBondContact O-N 3.44Å; Q596-K599 WeakPolarHBondContact O-CB 3.47Å; Q596-K599 PolarHBondContact O-N 2.89Å; I597-K599 PolarHBondContact O-N 2.75Å; K599-T601 PolarHBondContact O-N 2.79Å; K599-G602 PolarHBondContact O-N 3.24Å; K599-V604 HydrophobicContact CB-CG2 3.8Å |
| 600 | S | 89.3 | Confident | 88.1 | Confident | 89 Ų | 89 | 62.9 Ų | 62.9 | 62% | 0.622 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.8 | -22.6 | 177.9 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | Q596 I597 | Q596-S600 PolarHBondContact O-N 2.68Å; I597-S600 PolarHBondContact O-N 2.77Å; I597-S600 PolarHBondContact O-OG 3.42Å |
| 601 | T | 86.7 | Confident | 87.5 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 6.7 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | I597 Y598 K599 T603 K639 L642 | I597-T601 WeakPolarHBondContact O-CB 3.41Å; I597-T601 WeakPolarHBondContact O-CG2 3.27Å; I597-T601 PolarHBondContact O-N 2.89Å; I597-T601 VanDerWaalsContact O-N 3.1Å; I597-T601 PolarHBondContact O-OG1 3.43Å; Y598-T601 WeakPolarHBondContact CA-OG1 3.37Å; Y598-T601 CarbonylContact O-C 3.54Å; Y598-T601 PolarHBondContact O-N 3.41Å; Y598-T601 PolarHBondContact O-OG1 3.06Å; K599-T601 PolarHBondContact O-N 2.79Å; T601-T603 VanDerWaalsContact C-N 3.33Å; T601-T603 PolarHBondContact O-N 2.85Å; T601-K639 HydrophobicContact CG2-CD 4.14Å; T601-K639 PolarHBondContact OG1-NZ 3.25Å; T601-L642 HydrophobicContact CG2-CD2 4.29Å |
| 602 | G | 83.3 | Confident | 87.1 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 73% | 0.732 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 17 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | Y598 K599 | Y598-G602 PolarHBondContact O-N 2.81Å; K599-G602 PolarHBondContact O-N 3.24Å |
| 603 | T | 80.5 | Confident | 86.7 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | trans | -106.5 | 12 | -177 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | Y598 T601 M605 K639 | Y598-T603 VanDerWaalsContact CD1-OG1 3.31Å; Y598-T603 WeakPolarHBondContact CD1-OG1 3.47Å; Y598-T603 PolarHBondContact O-N 2.83Å; T601-T603 VanDerWaalsContact C-N 3.33Å; T601-T603 PolarHBondContact O-N 2.85Å; T603-M605 PolarHBondContact O-N 3.34Å; T603-K639 PolarHBondContact OG1-NZ 3.39Å | ||
| 604 | V | 79.1 | Confident | 86.1 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 38% | 0.376 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 128.5 | -177.9 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | K599 | K599-V604 HydrophobicContact CB-CG2 3.8Š|
| 605 | M | 82.7 | Confident | 85.4 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 6% | 0.064 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 132.6 | 163.7 | -163.9 | 178.5 | -52.9 | 0 | 0 | 110 | T603 E609 L610 L632 R635 H636 | T603-M605 PolarHBondContact O-N 3.34Å; M605-E609 HydrophobicContact CG-CB 3.54Å; M605-E609 HydrophobicContact SD-CB 4.3Å; M605-L610 HydrophobicContact CE-CD1 4.41Å; M605-L610 HydrophobicContact CG-CB 4.37Å; M605-L610 HydrophobicContact CG-CD1 4.47Å; M605-L610 VanDerWaalsContact SD-CA 3.56Å; M605-L610 HydrophobicContact SD-CB 4Å; M605-L610 HydrophobicContact SD-CD1 3.54Å; M605-L610 VanDerWaalsContact SD-CD1 3.54Å; M605-L610 HydrophobicContact SD-CG 4.34Å; M605-L632 HydrophobicContact CE-CD2 4.23Å; M605-R635 HydrophobicContact CE-CB 3.52Å; M605-R635 HydrophobicContact CE-CG 3.75Å; M605-H636 VanDerWaalsContact CE-CE1 3.45Å; M605-H636 WeakPolarHBondContact CE-CE1 3.49Å |
| 606 | T | 82.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 76.3 Ų | 76.3 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 157.1 | 175.9 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | R608 E609 L610 | T606-R608 PolarHBondContact O-N 2.93Å; T606-E609 PolarHBondContact N-OE2 2.97Å; T606-E609 PolarHBondContact O-N 3.37Å; T606-E609 WeakPolarHBondContact OG1-CB 3.32Å; T606-E609 VanDerWaalsContact OG1-CD 3.27Å; T606-E609 WeakPolarHBondContact OG1-CG 3.46Å; T606-E609 PolarHBondContact OG1-N 3.42Å; T606-E609 PolarHBondContact OG1-OE2 3.24Å; T606-L610 WeakPolarHBondContact O-CB 3.45Å; T606-L610 PolarHBondContact O-N 3.18Å |
| 607 | V | 82.3 | Confident | 84.8 | Confident | 109 Ų | 109 | 77 Ų | 77 | 66% | 0.661 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.2 | -37.9 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | Q611 | V607-Q611 WeakPolarHBondContact O-CG 3.26Å; V607-Q611 PolarHBondContact O-N 3.23Å |
| 608 | R | 82.5 | Confident | 84.5 | Confident | 195 Ų | 195 | 81.9 Ų | 81.9 | 74% | 0.736 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.7 | -46.4 | 178.2 | -70.6 | -176.1 | -177.9 | 169.9 | 0.4 | 112.3 | T606 L610 Q611 M612 | T606-R608 PolarHBondContact O-N 2.93Å; R608-L610 VanDerWaalsContact C-N 3.3Å; R608-L610 PolarHBondContact O-N 3.32Å; R608-Q611 PolarHBondContact O-N 3.49Å; R608-M612 HydrophobicContact CB-CE 4.07Å; R608-M612 WeakPolarHBondContact O-CE 3.48Å; R608-M612 WeakPolarHBondContact O-CG 3.36Å; R608-M612 PolarHBondContact O-N 3.22Å |
| 609 | E | 85.6 | Confident | 84.3 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.8 | -75.6 | 168 | 157.5 | 0 | 0 | 111.2 | M605 T606 Q611 M612 T613 | M605-E609 HydrophobicContact CG-CB 3.54Å; M605-E609 HydrophobicContact SD-CB 4.3Å; T606-E609 PolarHBondContact N-OE2 2.97Å; T606-E609 PolarHBondContact O-N 3.37Å; T606-E609 WeakPolarHBondContact OG1-CB 3.32Å; T606-E609 VanDerWaalsContact OG1-CD 3.27Å; T606-E609 WeakPolarHBondContact OG1-CG 3.46Å; T606-E609 PolarHBondContact OG1-N 3.42Å; T606-E609 PolarHBondContact OG1-OE2 3.24Å; E609-Q611 VanDerWaalsContact C-N 3.34Å; E609-Q611 PolarHBondContact O-N 3.15Å; E609-M612 PolarHBondContact O-N 2.62Å; E609-T613 WeakPolarHBondContact O-CB 3.38Å; E609-T613 PolarHBondContact O-N 3.33Å; E609-T613 PolarHBondContact O-OG1 3.38Å |
| 610 | L | 85.5 | Confident | 84.4 | Confident | 18 Ų | 18 | 78.7 Ų | 78.7 | 9% | 0.094 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56.8 | -52.9 | 174.7 | -161.6 | 78.8 | 0 | 0 | 0 | 108.3 | M605 T606 R608 M612 T613 M614 L632 V837 F842 | M605-L610 HydrophobicContact CE-CD1 4.41Å; M605-L610 HydrophobicContact CG-CB 4.37Å; M605-L610 HydrophobicContact CG-CD1 4.47Å; M605-L610 VanDerWaalsContact SD-CA 3.56Å; M605-L610 HydrophobicContact SD-CB 4Å; M605-L610 HydrophobicContact SD-CD1 3.54Å; M605-L610 VanDerWaalsContact SD-CD1 3.54Å; M605-L610 HydrophobicContact SD-CG 4.34Å; T606-L610 WeakPolarHBondContact O-CB 3.45Å; T606-L610 PolarHBondContact O-N 3.18Å; R608-L610 VanDerWaalsContact C-N 3.3Å; R608-L610 PolarHBondContact O-N 3.32Å; L610-M612 VanDerWaalsContact C-N 3.27Å; L610-M612 PolarHBondContact O-N 3.27Å; L610-T613 PolarHBondContact O-N 3.18Å; L610-M614 VanDerWaalsContact C-CE 3.43Å; L610-M614 HydrophobicContact CB-CE 3.74Å; L610-M614 HydrophobicContact CD2-CE 3.36Å; L610-M614 HydrophobicContact CG-CE 3.32Å; L610-M614 WeakPolarHBondContact O-CG 3.17Å; L610-M614 PolarHBondContact O-N 3.04Å; L610-M614 VanDerWaalsContact O-N 3.07Å; L610-L632 HydrophobicContact CD1-CD2 3.97Å; L610-V837 HydrophobicContact CD2-CG1 4.47Å; L610-F842 HydrophobicContact CD1-CE1 4.19Å; L610-F842 HydrophobicContact CD1-CE2 4.15Å; L610-F842 HydrophobicContact CD1-CZ 3.7Å; L610-F842 HydrophobicContact CD2-CZ 3.95Å; L610-F842 HydrophobicContact CG-CZ 4.43Å |
| 611 | Q | 83.6 | Confident | 84.5 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 60% | 0.598 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.3 | -37.8 | -178.5 | -79.4 | 176.8 | -13.6 | 0 | 0 | 113.9 | V607 R608 E609 M614 | V607-Q611 WeakPolarHBondContact O-CG 3.26Å; V607-Q611 PolarHBondContact O-N 3.23Å; R608-Q611 PolarHBondContact O-N 3.49Å; E609-Q611 VanDerWaalsContact C-N 3.34Å; E609-Q611 PolarHBondContact O-N 3.15Å; Q611-M614 VanDerWaalsContact CA-SD 3.54Å; Q611-M614 HydrophobicContact CB-CE 4.4Å; Q611-M614 HydrophobicContact CB-SD 4.46Å; Q611-M614 HydrophobicContact CG-CE 3.92Å; Q611-M614 HydrophobicContact CG-SD 4.25Å |
| 612 | M | 84.5 | Confident | 84.8 | Confident | 151 Ų | 151 | 78.1 Ų | 78.1 | 74% | 0.744 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -74.4 | -27.4 | 177 | -71.4 | -174.1 | -102.2 | 0 | 0 | 113.4 | R608 E609 L610 | R608-M612 HydrophobicContact CB-CE 4.07Å; R608-M612 WeakPolarHBondContact O-CE 3.48Å; R608-M612 WeakPolarHBondContact O-CG 3.36Å; R608-M612 PolarHBondContact O-N 3.22Å; E609-M612 PolarHBondContact O-N 2.62Å; L610-M612 VanDerWaalsContact C-N 3.27Å; L610-M612 PolarHBondContact O-N 3.27Å |
| 613 | T | 83.9 | Confident | 85.3 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 17% | 0.172 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -87 | -18 | -176.9 | -47.7 | 0 | 0 | 0 | 0 | 112.3 | E609 L610 I627 K631 L632 | E609-T613 WeakPolarHBondContact O-CB 3.38Å; E609-T613 PolarHBondContact O-N 3.33Å; E609-T613 PolarHBondContact O-OG1 3.38Å; L610-T613 PolarHBondContact O-N 3.18Å; T613-I627 WeakPolarHBondContact O-CG2 3.4Å; T613-K631 HydrophobicContact CG2-CB 3.66Å; T613-K631 HydrophobicContact CG2-CD 3.62Å; T613-K631 HydrophobicContact CG2-CG 4.29Å; T613-L632 HydrophobicContact CG2-CD2 4.4Å |
| 614 | M | 80.7 | Confident | 85.9 | Confident | 47 Ų | 47 | 78.6 Ų | 78.6 | 23% | 0.232 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 143.3 | -174.1 | -71.7 | 162.9 | -164.8 | 0 | 0 | 113.6 | L610 Q611 V837 | L610-M614 VanDerWaalsContact C-CE 3.43Å; L610-M614 HydrophobicContact CB-CE 3.74Å; L610-M614 HydrophobicContact CD2-CE 3.36Å; L610-M614 HydrophobicContact CG-CE 3.32Å; L610-M614 WeakPolarHBondContact O-CG 3.17Å; L610-M614 PolarHBondContact O-N 3.04Å; L610-M614 VanDerWaalsContact O-N 3.07Å; Q611-M614 VanDerWaalsContact CA-SD 3.54Å; Q611-M614 HydrophobicContact CB-CE 4.4Å; Q611-M614 HydrophobicContact CB-SD 4.46Å; Q611-M614 HydrophobicContact CG-CE 3.92Å; Q611-M614 HydrophobicContact CG-SD 4.25Å; M614-V837 HydrophobicContact CB-CG2 3.95Å; M614-V837 HydrophobicContact CE-CB 4.3Å; M614-V837 HydrophobicContact CE-CG1 3.1Å; M614-V837 HydrophobicContact CE-CG2 4.44Å; M614-V837 HydrophobicContact CG-CB 4.27Å; M614-V837 HydrophobicContact CG-CG1 3.97Å; M614-V837 HydrophobicContact CG-CG2 3.4Å; M614-V837 HydrophobicContact SD-CB 3.98Å; M614-V837 HydrophobicContact SD-CG1 3.35Å; M614-V837 WeakPolarHBondContact SD-CG1 3.45Å; M614-V837 HydrophobicContact SD-CG2 3.7Å |
| 615 | A | 80.9 | Confident | 86.6 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 141.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D619 K624 I627 | A615-D619 WeakPolarHBondContact CA-OD2 3.43Å; A615-K624 HydrophobicContact CB-CB 4.36Å; A615-K624 HydrophobicContact CB-CG 3.62Å; A615-I627 HydrophobicContact CB-CD1 3.8Å |
| 616 | K | 85.9 | Confident | 87.1 | Confident | 150 Ų | 150 | 80.6 Ų | 80.6 | 65% | 0.652 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 159.5 | 174.8 | -64 | -178.4 | -179.5 | -179.6 | 0 | 110.7 | S618 D619 K624 | K616-S618 PolarHBondContact O-N 2.95Å; K616-D619 PolarHBondContact N-OD2 3.4Å; K616-D619 WeakPolarHBondContact O-CB 3.46Å; K616-D619 PolarHBondContact O-N 3.06Å; K616-K624 WeakPolarHBondContact O-CE 3.25Å |
| 617 | K | 84.5 | Confident | 87.6 | Confident | 115 Ų | 115 | 77.9 Ų | 77.9 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -41 | 177.3 | -169.5 | 174.2 | 172.1 | -180 | 0 | 111.7 | D619 K624 E710 W711 | K617-D619 VanDerWaalsContact C-N 3.31Å; K617-D619 PolarHBondContact O-N 3.33Å; K617-K624 PolarHBondContact O-NZ 3.15Å; K617-E710 WeakPolarHBondContact CE-O 3.25Å; K617-E710 PolarHBondContact NZ-O 2.82Å; K617-W711 VanDerWaalsContact CA-CH2 3.4Å; K617-W711 HydrophobicContact CB-CE3 3.97Å; K617-W711 HydrophobicContact CB-CH2 3.86Å; K617-W711 HydrophobicContact CB-CZ3 3.47Å; K617-W711 VanDerWaalsContact CB-CZ3 3.47Å; K617-W711 HydrophobicContact CD-CE3 4.34Å; K617-W711 HydrophobicContact CG-CE3 4.19Å; K617-W711 HydrophobicContact CG-CH2 4.47Å; K617-W711 HydrophobicContact CG-CZ3 4.13Å |
| 618 | S | 86.4 | Confident | 88.1 | Confident | 110 Ų | 110 | 73 Ų | 73 | 77% | 0.769 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -9 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 115.3 | K616 | K616-S618 PolarHBondContact O-N 2.95Š|
| 619 | D | 89.5 | Confident | 88.7 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -69.1 | 146.7 | 178.4 | -75.2 | -32 | 0 | 0 | 0 | 111.2 | A615 K616 K617 K623 K624 | A615-D619 WeakPolarHBondContact CA-OD2 3.43Å; K616-D619 PolarHBondContact N-OD2 3.4Å; K616-D619 WeakPolarHBondContact O-CB 3.46Å; K616-D619 PolarHBondContact O-N 3.06Å; K617-D619 VanDerWaalsContact C-N 3.31Å; K617-D619 PolarHBondContact O-N 3.33Å; D619-K623 HydrophobicContact CB-CD 4.04Å; D619-K623 HydrophobicContact CB-CG 4.46Å; D619-K623 VanDerWaalsContact CG-NZ 3.34Å; D619-K623 WeakPolarHBondContact OD1-CE 3.38Å; D619-K623 IonicContact OD1-NZ 3.27Å; D619-K623 PolarHBondContact OD1-NZ 3.46Å; D619-K623 IonicContact OD2-NZ 3.4Å; D619-K623 PolarHBondContact OD2-NZ 2.97Å; D619-K624 HydrophobicContact CB-CG 4.31Å; D619-K624 WeakPolarHBondContact O-CE 3.45Å; D619-K624 PolarHBondContact O-NZ 3.22Å |
| 620 | S | 92.9 | Very high | 89 | Confident | 74 Ų | 74 | 69 Ų | 69 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | trans | -63.4 | 153.8 | 176.3 | 71.5 | 0 | 0 | 0 | 0 | 112 | A622 K623 K624 | S620-A622 PolarHBondContact O-N 3.33Å; S620-K623 PolarHBondContact O-N 3.23Å; S620-K623 VanDerWaalsContact O-N 3.12Å; S620-K623 PolarHBondContact OG-N 2.78Å; S620-K624 PolarHBondContact O-N 3.14Å | ||
| 621 | L | 91.5 | Very high | 89.2 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 38% | 0.377 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56 | -40.5 | 177 | 178.5 | 60.6 | 0 | 0 | 0 | 112.2 | K623 K624 L625 Q834 | L621-K623 PolarHBondContact O-N 3.22Å; L621-K624 PolarHBondContact O-N 3.09Å; L621-L625 HydrophobicContact CD1-CD1 4.36Å; L621-L625 HydrophobicContact CD1-CG 4.38Å; L621-L625 HydrophobicContact CG-CD1 4.09Å; L621-L625 WeakPolarHBondContact O-CB 3.49Å; L621-L625 WeakPolarHBondContact O-CG 3.47Å; L621-L625 PolarHBondContact O-N 3Å; L621-Q834 HydrophobicContact CD1-CG 3.57Å |
| 622 | A | 93.5 | Very high | 89.5 | Confident | 60 Ų | 60 | 68 Ų | 68 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S620 K624 L625 I626 | S620-A622 PolarHBondContact O-N 3.33Å; A622-K624 PolarHBondContact O-N 2.93Å; A622-L625 WeakPolarHBondContact O-CB 3.29Å; A622-L625 PolarHBondContact O-N 3.04Å; A622-I626 VanDerWaalsContact O-CG1 3.3Å; A622-I626 WeakPolarHBondContact O-CG1 3.26Å; A622-I626 PolarHBondContact O-N 3.09Å |
| 623 | K | 93.1 | Very high | 89.9 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.5 | -176.9 | 175.9 | 171 | -166.3 | 0 | 111.9 | D619 S620 L621 L625 I626 I627 | D619-K623 HydrophobicContact CB-CD 4.04Å; D619-K623 HydrophobicContact CB-CG 4.46Å; D619-K623 VanDerWaalsContact CG-NZ 3.34Å; D619-K623 WeakPolarHBondContact OD1-CE 3.38Å; D619-K623 IonicContact OD1-NZ 3.27Å; D619-K623 PolarHBondContact OD1-NZ 3.46Å; D619-K623 IonicContact OD2-NZ 3.4Å; D619-K623 PolarHBondContact OD2-NZ 2.97Å; S620-K623 PolarHBondContact O-N 3.23Å; S620-K623 VanDerWaalsContact O-N 3.12Å; S620-K623 PolarHBondContact OG-N 2.78Å; L621-K623 PolarHBondContact O-N 3.22Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 3.08Å; K623-I626 PolarHBondContact O-N 2.89Å; K623-I627 HydrophobicContact CG-CD1 4.03Å; K623-I627 WeakPolarHBondContact O-CG1 3.27Å; K623-I627 PolarHBondContact O-N 3.2Å |
| 624 | K | 93.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.096 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 174.7 | -72.4 | 174.2 | -179.9 | 169.1 | 0 | 111.6 | A615 K616 K617 D619 S620 L621 A622 I627 F628 A833 Q834 | A615-K624 HydrophobicContact CB-CB 4.36Å; A615-K624 HydrophobicContact CB-CG 3.62Å; K616-K624 WeakPolarHBondContact O-CE 3.25Å; K617-K624 PolarHBondContact O-NZ 3.15Å; D619-K624 HydrophobicContact CB-CG 4.31Å; D619-K624 WeakPolarHBondContact O-CE 3.45Å; D619-K624 PolarHBondContact O-NZ 3.22Å; S620-K624 PolarHBondContact O-N 3.14Å; L621-K624 PolarHBondContact O-N 3.09Å; A622-K624 PolarHBondContact O-N 2.93Å; K624-I627 PolarHBondContact O-N 3Å; K624-F628 WeakPolarHBondContact O-CB 3.41Å; K624-F628 PolarHBondContact O-N 3.01Å; K624-A833 HydrophobicContact CB-CB 4.4Å; K624-Q834 HydrophobicContact CD-CG 4.3Å |
| 625 | L | 93.3 | Very high | 90.5 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.8 | -83.6 | 167.9 | 0 | 0 | 0 | 113.1 | L621 A622 K623 F628 N629 K829 K830 A833 | L621-L625 HydrophobicContact CD1-CD1 4.36Å; L621-L625 HydrophobicContact CD1-CG 4.38Å; L621-L625 HydrophobicContact CG-CD1 4.09Å; L621-L625 WeakPolarHBondContact O-CB 3.49Å; L621-L625 WeakPolarHBondContact O-CG 3.47Å; L621-L625 PolarHBondContact O-N 3Å; A622-L625 WeakPolarHBondContact O-CB 3.29Å; A622-L625 PolarHBondContact O-N 3.04Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 3.08Å; L625-F628 PolarHBondContact O-N 3.18Å; L625-N629 WeakPolarHBondContact O-CB 3.02Å; L625-N629 PolarHBondContact O-N 3.49Å; L625-N629 PolarHBondContact O-ND2 2.66Å; L625-K829 HydrophobicContact CD2-CB 4.45Å; L625-K830 HydrophobicContact CD1-CG 4.09Å; L625-K830 HydrophobicContact CD2-CG 4.19Å; L625-A833 HydrophobicContact CD2-CB 4.03Å; L625-A833 HydrophobicContact CG-CB 4.35Å |
| 626 | I | 94.6 | Very high | 91 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 177.2 | -69.2 | 169.3 | 0 | 0 | 0 | 109.6 | A622 K623 F628 N629 E630 | A622-I626 VanDerWaalsContact O-CG1 3.3Å; A622-I626 WeakPolarHBondContact O-CG1 3.26Å; A622-I626 PolarHBondContact O-N 3.09Å; K623-I626 PolarHBondContact O-N 2.89Å; I626-F628 VanDerWaalsContact C-N 3.31Å; I626-F628 PolarHBondContact O-N 3.1Å; I626-N629 PolarHBondContact O-N 3.24Å; I626-E630 HydrophobicContact CG2-CG 4.46Å; I626-E630 WeakPolarHBondContact CG2-OE2 3.38Å; I626-E630 VanDerWaalsContact O-CB 3.29Å; I626-E630 WeakPolarHBondContact O-CB 3.42Å; I626-E630 PolarHBondContact O-N 3.22Å |
| 627 | I | 92.2 | Very high | 91.3 | Very high | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -58.1 | -45.1 | 177.6 | -70.3 | 167.7 | 0 | 0 | 0 | 111.1 | T613 A615 K623 K624 K631 L632 | T613-I627 WeakPolarHBondContact O-CG2 3.4Å; A615-I627 HydrophobicContact CB-CD1 3.8Å; K623-I627 HydrophobicContact CG-CD1 4.03Å; K623-I627 WeakPolarHBondContact O-CG1 3.27Å; K623-I627 PolarHBondContact O-N 3.2Å; K624-I627 PolarHBondContact O-N 3Å; I627-K631 WeakPolarHBondContact O-CA 3.22Å; I627-K631 WeakPolarHBondContact O-CB 3.31Å; I627-K631 PolarHBondContact O-N 3.34Å; I627-K631 VanDerWaalsContact O-N 3.1Å; I627-L632 HydrophobicContact CG2-CD1 4.21Å; I627-L632 HydrophobicContact CG2-CG 4.29Å; I627-L632 PolarHBondContact O-N 3.05Å |
| 628 | F | 93 | Very high | 91.8 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -63.2 | -51.6 | -179.2 | -173.7 | -105.9 | 0 | 0 | 0 | 112 | K624 L625 I626 L632 L633 L832 A833 P841 F842 | K624-F628 WeakPolarHBondContact O-CB 3.41Å; K624-F628 PolarHBondContact O-N 3.01Å; L625-F628 PolarHBondContact O-N 3.18Å; I626-F628 VanDerWaalsContact C-N 3.31Å; I626-F628 PolarHBondContact O-N 3.1Å; F628-L632 HydrophobicContact CD2-CD1 4.28Å; F628-L632 PolarHBondContact O-N 3.1Å; F628-L633 HydrophobicContact CD1-CD1 4.03Å; F628-L633 HydrophobicContact CD1-CG 4.22Å; F628-L633 HydrophobicContact CE1-CD1 3.72Å; F628-L633 HydrophobicContact CE1-CD2 4.1Å; F628-L633 HydrophobicContact CE1-CG 3.96Å; F628-L633 HydrophobicContact CE2-CD2 4.4Å; F628-L633 HydrophobicContact CZ-CD1 4.36Å; F628-L633 HydrophobicContact CZ-CD2 3.88Å; F628-L633 HydrophobicContact CZ-CG 4.16Å; F628-L633 WeakPolarHBondContact O-CG 3.5Å; F628-L633 PolarHBondContact O-N 2.84Å; F628-L832 HydrophobicContact CE1-CB 4.31Å; F628-L832 HydrophobicContact CZ-CB 4.01Å; F628-A833 HydrophobicContact CB-CB 3.71Å; F628-A833 HydrophobicContact CD1-CB 4.25Å; F628-A833 HydrophobicContact CG-CB 3.92Å; F628-P841 HydrophobicContact CE2-CB 4.02Å; F628-P841 HydrophobicContact CE2-CG 4.01Å; F628-F842 HydrophobicContact CE2-CB 4.2Å |
| 629 | N | 93.5 | Very high | 92.2 | Very high | 59 Ų | 59 | 56 Ų | 56 | 32% | 0.316 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -75.8 | -39.9 | -174.8 | -73.5 | -35.7 | 0 | 0 | 0 | 113.9 | L625 I626 P634 | L625-N629 WeakPolarHBondContact O-CB 3.02Å; L625-N629 PolarHBondContact O-N 3.49Å; L625-N629 PolarHBondContact O-ND2 2.66Å; I626-N629 PolarHBondContact O-N 3.24Å; N629-P634 VanDerWaalsContact O-CD 3.24Å; N629-P634 WeakPolarHBondContact O-CD 3.39Å; N629-P634 WeakPolarHBondContact O-CG 3.47Å |
| 630 | E | 92.8 | Very high | 92.5 | Very high | 133 Ų | 133 | 54.7 Ų | 54.7 | 62% | 0.621 | 29% | 0.288 | S | S | * | . | I | π-helix | trans | -95.8 | -23.2 | -171 | -61.2 | 179 | -170.1 | 0 | 0 | 113.1 | I626 | I626-E630 HydrophobicContact CG2-CG 4.46Å; I626-E630 WeakPolarHBondContact CG2-OE2 3.38Å; I626-E630 VanDerWaalsContact O-CB 3.29Å; I626-E630 WeakPolarHBondContact O-CB 3.42Å; I626-E630 PolarHBondContact O-N 3.22Å |
| 631 | K | 89.9 | Confident | 92.6 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 48% | 0.478 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -113.7 | -51.3 | -177.4 | -53.2 | -170.7 | -179.9 | -176.5 | 0 | 112.9 | T613 I627 R635 | T613-K631 HydrophobicContact CG2-CB 3.66Å; T613-K631 HydrophobicContact CG2-CD 3.62Å; T613-K631 HydrophobicContact CG2-CG 4.29Å; I627-K631 WeakPolarHBondContact O-CA 3.22Å; I627-K631 WeakPolarHBondContact O-CB 3.31Å; I627-K631 PolarHBondContact O-N 3.34Å; I627-K631 VanDerWaalsContact O-N 3.1Å; K631-R635 WeakPolarHBondContact O-CB 3.11Å; K631-R635 VanDerWaalsContact O-CG 3.26Å; K631-R635 WeakPolarHBondContact O-CG 3.17Å |
| 632 | L | 90.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -77.5 | -50.7 | -172.5 | -64.4 | 176.5 | 0 | 0 | 0 | 112.7 | M605 L610 T613 I627 F628 R635 H636 F842 | M605-L632 HydrophobicContact CE-CD2 4.23Å; L610-L632 HydrophobicContact CD1-CD2 3.97Å; T613-L632 HydrophobicContact CG2-CD2 4.4Å; I627-L632 HydrophobicContact CG2-CD1 4.21Å; I627-L632 HydrophobicContact CG2-CG 4.29Å; I627-L632 PolarHBondContact O-N 3.05Å; F628-L632 HydrophobicContact CD2-CD1 4.28Å; F628-L632 PolarHBondContact O-N 3.1Å; L632-R635 PolarHBondContact O-N 2.95Å; L632-H636 PolarHBondContact O-N 3.49Å; L632-H636 VanDerWaalsContact O-N 3.11Å; L632-H636 PolarHBondContact O-ND1 3.45Å; L632-F842 HydrophobicContact CB-CB 4.03Å; L632-F842 HydrophobicContact CB-CG 4.34Å; L632-F842 HydrophobicContact CD1-CD1 4.03Å; L632-F842 HydrophobicContact CD2-CD1 4.49Å |
| 633 | L | 91.2 | Very high | 92.8 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | -178.6 | -71.2 | -178.4 | 0 | 0 | 0 | 114 | F628 R635 H636 H721 | F628-L633 HydrophobicContact CD1-CD1 4.03Å; F628-L633 HydrophobicContact CD1-CG 4.22Å; F628-L633 HydrophobicContact CE1-CD1 3.72Å; F628-L633 HydrophobicContact CE1-CD2 4.1Å; F628-L633 HydrophobicContact CE1-CG 3.96Å; F628-L633 HydrophobicContact CE2-CD2 4.4Å; F628-L633 HydrophobicContact CZ-CD1 4.36Å; F628-L633 HydrophobicContact CZ-CD2 3.88Å; F628-L633 HydrophobicContact CZ-CG 4.16Å; F628-L633 WeakPolarHBondContact O-CG 3.5Å; F628-L633 PolarHBondContact O-N 2.84Å; L633-R635 VanDerWaalsContact C-N 3.28Å; L633-R635 PolarHBondContact O-N 3.25Å; L633-H636 CarbonylContact O-C 3.57Å; L633-H636 PolarHBondContact O-N 3.3Å; L633-H721 VanDerWaalsContact CD2-CE1 3.44Å; L633-H721 WeakPolarHBondContact CD2-CE1 3.5Å |
| 634 | P | 90 | Very high | 92.9 | Very high | 83 Ų | 83 | 44 Ų | 44 | 54% | 0.539 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.6 | -32.5 | -179.7 | -24.4 | 37.6 | 0 | 0 | 0 | 112.7 | N629 H636 | N629-P634 VanDerWaalsContact O-CD 3.24Å; N629-P634 WeakPolarHBondContact O-CD 3.39Å; N629-P634 WeakPolarHBondContact O-CG 3.47Å; P634-H636 VanDerWaalsContact C-N 3.32Å |
| 635 | R | 87.9 | Confident | 93 | Very high | 137 Ų | 137 | 49.6 Ų | 49.6 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76.7 | -18.3 | 175 | -69.2 | -91.2 | 178 | 92 | -2.1 | 112.7 | M605 K631 L632 L633 | M605-R635 HydrophobicContact CE-CB 3.52Å; M605-R635 HydrophobicContact CE-CG 3.75Å; K631-R635 WeakPolarHBondContact O-CB 3.11Å; K631-R635 VanDerWaalsContact O-CG 3.26Å; K631-R635 WeakPolarHBondContact O-CG 3.17Å; L632-R635 PolarHBondContact O-N 2.95Å; L633-R635 VanDerWaalsContact C-N 3.28Å; L633-R635 PolarHBondContact O-N 3.25Å |
| 636 | H | 91.4 | Very high | 93 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -129.3 | 66.3 | -179.3 | -55.2 | 96.8 | 0 | 0 | 0 | 111.3 | Y598 M605 L632 L633 P634 H721 F842 | Y598-H636 HydrophobicContact CE2-CB 4.17Å; Y598-H636 AromaticContact CE2-CD2 3.8Å; Y598-H636 PolarHBondContact OH-O 3.06Å; M605-H636 VanDerWaalsContact CE-CE1 3.45Å; M605-H636 WeakPolarHBondContact CE-CE1 3.49Å; L632-H636 PolarHBondContact O-N 3.49Å; L632-H636 VanDerWaalsContact O-N 3.11Å; L632-H636 PolarHBondContact O-ND1 3.45Å; L633-H636 CarbonylContact O-C 3.57Å; L633-H636 PolarHBondContact O-N 3.3Å; P634-H636 VanDerWaalsContact C-N 3.32Å; H636-H721 PolarHBondContact O-NE2 3.35Å; H636-F842 HydrophobicContact CB-CD2 4.13Å; H636-F842 WeakPolarHBondContact CB-O 3.25Å; H636-F842 AromaticContact CD2-CD2 3.84Å; H636-F842 AromaticContact CE1-CD2 3.62Å; H636-F842 AromaticContact CE1-CE2 3.71Å; H636-F842 AromaticContact CG-CD2 3.6Å; H636-F842 AromaticContact ND1-CD2 3.49Å; H636-F842 WeakPolarHBondContact ND1-CD2 3.4Å; H636-F842 AromaticContact NE2-CD2 3.86Å; H636-F842 AromaticContact NE2-CE2 3.69Å |
| 637 | P | 93.1 | Very high | 93 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | trans | -67.7 | 158.1 | -178.4 | 31.7 | -37.5 | 0 | 0 | 0 | 111 | Y598 K639 | Y598-P637 VanDerWaalsContact CE1-O 3.3Å; Y598-P637 WeakPolarHBondContact CE1-O 3.45Å; Y598-P637 PolarHBondContact OH-O 3.08Å; P637-K639 VanDerWaalsContact CG-CE 3.43Å; P637-K639 HydrophobicContact CG-CG 4.44Å; P637-K639 PolarHBondContact O-N 2.69Å | ||
| 638 | A | 94.8 | Very high | 93.1 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | trans | -64.4 | 109.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N722 Q725 | A638-N722 WeakPolarHBondContact CA-OD1 3.49Å; A638-Q725 HydrophobicContact CB-CB 3.64Å; A638-Q725 HydrophobicContact CB-CG 3.77Å | ||
| 639 | K | 94.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 14% | 0.143 | 29% | 0.294 | C | S | . | . | trans | -125 | 1.9 | -178.9 | -62.3 | -167.2 | -165 | -171.9 | 0 | 114.5 | M594 I597 Y598 T601 T603 P637 G641 L642 W643 N722 | M594-K639 HydrophobicContact CE-CB 4.39Å; I597-K639 HydrophobicContact CG2-CB 3.7Å; I597-K639 HydrophobicContact CG2-CD 4.03Å; I597-K639 HydrophobicContact CG2-CG 4.49Å; Y598-K639 HydrophobicContact CD1-CD 4.01Å; Y598-K639 HydrophobicContact CD1-CG 4.49Å; Y598-K639 HydrophobicContact CE1-CB 4.21Å; Y598-K639 HydrophobicContact CE1-CD 4.1Å; Y598-K639 HydrophobicContact CE1-CG 4.09Å; T601-K639 HydrophobicContact CG2-CD 4.14Å; T601-K639 PolarHBondContact OG1-NZ 3.25Å; T603-K639 PolarHBondContact OG1-NZ 3.39Å; P637-K639 VanDerWaalsContact CG-CE 3.43Å; P637-K639 HydrophobicContact CG-CG 4.44Å; P637-K639 PolarHBondContact O-N 2.69Å; K639-G641 VanDerWaalsContact C-N 3.25Å; K639-G641 PolarHBondContact O-N 2.88Å; K639-L642 WeakPolarHBondContact O-CA 3.18Å; K639-L642 VanDerWaalsContact O-CB 3.25Å; K639-L642 WeakPolarHBondContact O-CB 3.24Å; K639-L642 PolarHBondContact O-N 3.07Å; K639-W643 PolarHBondContact O-N 2.88Å; K639-N722 PolarHBondContact N-OD1 3.45Å | ||
| 640 | L | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -34.3 | 176.6 | -175.8 | 63.8 | 0 | 0 | 0 | 112.3 | L590 M594 L642 W643 F644 F661 L687 N722 M723 A726 | L590-L640 HydrophobicContact CD1-CD1 4.01Å; L590-L640 HydrophobicContact CD1-CD2 4.06Å; M594-L640 HydrophobicContact SD-CB 3.77Å; M594-L640 HydrophobicContact SD-CD1 3.94Å; M594-L640 HydrophobicContact SD-CG 4.43Å; L640-L642 PolarHBondContact O-N 2.86Å; L640-W643 HydrophobicContact CD1-CB 4.2Å; L640-W643 HydrophobicContact CD1-CE3 4.49Å; L640-W643 VanDerWaalsContact O-CB 3.24Å; L640-W643 WeakPolarHBondContact O-CB 3.47Å; L640-W643 PolarHBondContact O-N 3.04Å; L640-F644 HydrophobicContact CD1-CE2 4.5Å; L640-F644 HydrophobicContact CG-CD2 4.48Å; L640-F644 HydrophobicContact CG-CE2 4.21Å; L640-F644 PolarHBondContact O-N 3.04Å; L640-F661 HydrophobicContact CD2-CE2 4.28Å; L640-F661 HydrophobicContact CD2-CZ 3.92Å; L640-L687 HydrophobicContact CD1-CD1 3.73Å; L640-N722 HydrophobicContact CB-CB 3.97Å; L640-N722 PolarHBondContact N-OD1 3.14Å; L640-M723 HydrophobicContact CD2-CG 4.43Å; L640-A726 HydrophobicContact CB-CB 3.95Å; L640-A726 HydrophobicContact CD2-CB 3.67Å; L640-A726 HydrophobicContact CG-CB 3.68Å |
| 641 | G | 94.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -20 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | K639 R645 Q725 | K639-G641 VanDerWaalsContact C-N 3.25Å; K639-G641 PolarHBondContact O-N 2.88Å; G641-R645 PolarHBondContact O-NE 2.8Å; G641-R645 VanDerWaalsContact O-NE 3.08Å; G641-Q725 VanDerWaalsContact N-OE1 3.13Å |
| 642 | L | 94.1 | Very high | 92.7 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -76.5 | -38.2 | 170.4 | 177.8 | 63.6 | 0 | 0 | 0 | 110.8 | I597 T601 K639 L640 F644 R645 L646 | I597-L642 HydrophobicContact CG2-CD2 4.28Å; T601-L642 HydrophobicContact CG2-CD2 4.29Å; K639-L642 WeakPolarHBondContact O-CA 3.18Å; K639-L642 VanDerWaalsContact O-CB 3.25Å; K639-L642 WeakPolarHBondContact O-CB 3.24Å; K639-L642 PolarHBondContact O-N 3.07Å; L640-L642 PolarHBondContact O-N 2.86Å; L642-F644 VanDerWaalsContact C-N 3.34Å; L642-F644 PolarHBondContact O-N 3.44Å; L642-R645 PolarHBondContact O-N 2.96Å; L642-R645 VanDerWaalsContact O-N 3.12Å; L642-L646 HydrophobicContact CD1-CD1 4.3Å; L642-L646 HydrophobicContact CD1-CG 4.12Å; L642-L646 HydrophobicContact CD2-CD1 4.44Å; L642-L646 HydrophobicContact CG-CD1 3.94Å; L642-L646 HydrophobicContact CG-CG 4.21Å; L642-L646 WeakPolarHBondContact O-CG 3.24Å; L642-L646 PolarHBondContact O-N 3.24Å |
| 643 | W | 95 | Very high | 92.7 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.4 | -50.3 | 175.1 | -174.6 | 72.8 | 0 | 0 | 0 | 112 | T593 I597 K639 L640 R645 L646 R647 F648 L687 | T593-W643 HydrophobicContact CG2-CB 4.47Å; T593-W643 HydrophobicContact CG2-CD2 3.93Å; T593-W643 HydrophobicContact CG2-CG 3.62Å; I597-W643 HydrophobicContact CD1-CB 3.48Å; I597-W643 VanDerWaalsContact CD1-CB 3.48Å; I597-W643 HydrophobicContact CD1-CG 3.93Å; K639-W643 PolarHBondContact O-N 2.88Å; L640-W643 HydrophobicContact CD1-CB 4.2Å; L640-W643 HydrophobicContact CD1-CE3 4.49Å; L640-W643 VanDerWaalsContact O-CB 3.24Å; L640-W643 WeakPolarHBondContact O-CB 3.47Å; L640-W643 PolarHBondContact O-N 3.04Å; W643-R645 PolarHBondContact O-N 3.12Å; W643-L646 PolarHBondContact O-N 3.38Å; W643-L646 VanDerWaalsContact O-N 3.15Å; W643-R647 HydrophobicContact CH2-CG 4.44Å; W643-R647 HydrophobicContact CZ2-CB 4.47Å; W643-R647 HydrophobicContact CZ2-CG 4.25Å; W643-R647 WeakPolarHBondContact O-CB 3.49Å; W643-R647 PolarHBondContact O-N 3.07Å; W643-F648 HydrophobicContact CZ3-CE2 4.38Å; W643-L687 HydrophobicContact CD2-CD1 4.47Å; W643-L687 HydrophobicContact CE3-CD1 4.12Å; W643-L687 HydrophobicContact CH2-CB 3.82Å; W643-L687 HydrophobicContact CH2-CD1 4.19Å; W643-L687 HydrophobicContact CZ2-CB 4.4Å; W643-L687 HydrophobicContact CZ3-CB 4.22Å; W643-L687 HydrophobicContact CZ3-CD1 3.98Å |
| 644 | F | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.7 | -40.6 | 178.8 | -82.9 | -77.8 | 0 | 0 | 0 | 111.7 | L640 L642 F648 F661 A726 | L640-F644 HydrophobicContact CD1-CE2 4.5Å; L640-F644 HydrophobicContact CG-CD2 4.48Å; L640-F644 HydrophobicContact CG-CE2 4.21Å; L640-F644 PolarHBondContact O-N 3.04Å; L642-F644 VanDerWaalsContact C-N 3.34Å; L642-F644 PolarHBondContact O-N 3.44Å; F644-F648 AromaticContact CD1-CD2 3.96Å; F644-F648 HydrophobicContact CD1-CD2 3.96Å; F644-F648 AromaticContact CD1-CE2 3.87Å; F644-F648 HydrophobicContact CD1-CE2 3.87Å; F644-F648 HydrophobicContact CE1-CE2 4.23Å; F644-F648 WeakPolarHBondContact O-CB 3.49Å; F644-F648 WeakPolarHBondContact O-CD2 3.48Å; F644-F648 PolarHBondContact O-N 3.47Å; F644-F661 HydrophobicContact CE1-CB 4Å; F644-F661 HydrophobicContact CE1-CG 4.44Å; F644-F661 HydrophobicContact CE2-CB 4.32Å; F644-F661 HydrophobicContact CE2-CD1 4.16Å; F644-F661 HydrophobicContact CE2-CD2 4.07Å; F644-F661 HydrophobicContact CE2-CE2 4.48Å; F644-F661 AromaticContact CE2-CG 3.92Å; F644-F661 HydrophobicContact CE2-CG 3.92Å; F644-F661 HydrophobicContact CZ-CB 3.5Å; F644-F661 HydrophobicContact CZ-CD1 4.16Å; F644-F661 AromaticContact CZ-CD2 3.63Å; F644-F661 HydrophobicContact CZ-CD2 3.63Å; F644-F661 HydrophobicContact CZ-CE2 4.42Å; F644-F661 AromaticContact CZ-CG 3.48Å; F644-F661 HydrophobicContact CZ-CG 3.48Å; F644-F661 VanDerWaalsContact CZ-CG 3.48Å; F644-A726 HydrophobicContact CD2-CB 4.26Å; F644-A726 HydrophobicContact CE2-CB 4.16Å |
| 645 | R | 94.1 | Very high | 92.9 | Very high | 139 Ų | 139 | 59.9 Ų | 59.9 | 53% | 0.525 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 178.9 | -74.4 | -178 | -87.9 | 179.4 | -6.7 | 113.1 | G641 L642 W643 F648 W654 | G641-R645 PolarHBondContact O-NE 2.8Å; G641-R645 VanDerWaalsContact O-NE 3.08Å; L642-R645 PolarHBondContact O-N 2.96Å; L642-R645 VanDerWaalsContact O-N 3.12Å; W643-R645 PolarHBondContact O-N 3.12Å; R645-F648 CarbonylContact O-C 3.47Å; R645-W654 HydrophobicContact CG-CZ2 4.43Å |
| 646 | L | 94 | Very high | 93 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 60% | 0.602 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -72.5 | -37.7 | 177 | -68.5 | 175 | 0 | 0 | 0 | 111.7 | L642 W643 | L642-L646 HydrophobicContact CD1-CD1 4.3Å; L642-L646 HydrophobicContact CD1-CG 4.12Å; L642-L646 HydrophobicContact CD2-CD1 4.44Å; L642-L646 HydrophobicContact CG-CD1 3.94Å; L642-L646 HydrophobicContact CG-CG 4.21Å; L642-L646 WeakPolarHBondContact O-CG 3.24Å; L642-L646 PolarHBondContact O-N 3.24Å; W643-L646 PolarHBondContact O-N 3.38Å; W643-L646 VanDerWaalsContact O-N 3.15Å |
| 647 | R | 94.3 | Very high | 93.1 | Very high | 109 Ų | 109 | 54.9 Ų | 54.9 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -76.8 | -38.6 | -178.5 | -175.3 | 57.6 | -176.9 | 178.3 | -4.1 | 112.4 | W643 P649 S689 | W643-R647 HydrophobicContact CH2-CG 4.44Å; W643-R647 HydrophobicContact CZ2-CB 4.47Å; W643-R647 HydrophobicContact CZ2-CG 4.25Å; W643-R647 WeakPolarHBondContact O-CB 3.49Å; W643-R647 PolarHBondContact O-N 3.07Å; R647-P649 WeakPolarHBondContact O-CD 3.43Å; R647-S689 PolarHBondContact NE-O 2.82Å; R647-S689 PolarHBondContact NH2-O 2.65Å; R647-S689 PolarHBondContact NH2-OG 2.98Å |
| 648 | F | 94.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | trans | -119.3 | 88.7 | 180 | -51.1 | -64.2 | 0 | 0 | 0 | 108.7 | W643 F644 R645 V653 W654 N657 S689 | W643-F648 HydrophobicContact CZ3-CE2 4.38Å; F644-F648 AromaticContact CD1-CD2 3.96Å; F644-F648 HydrophobicContact CD1-CD2 3.96Å; F644-F648 AromaticContact CD1-CE2 3.87Å; F644-F648 HydrophobicContact CD1-CE2 3.87Å; F644-F648 HydrophobicContact CE1-CE2 4.23Å; F644-F648 WeakPolarHBondContact O-CB 3.49Å; F644-F648 WeakPolarHBondContact O-CD2 3.48Å; F644-F648 PolarHBondContact O-N 3.47Å; R645-F648 CarbonylContact O-C 3.47Å; F648-V653 HydrophobicContact CB-CG1 4.22Å; F648-V653 HydrophobicContact CD1-CG1 3.88Å; F648-V653 HydrophobicContact CG-CG1 4.28Å; F648-W654 HydrophobicContact CB-CB 4.02Å; F648-W654 WeakPolarHBondContact O-CB 3.47Å; F648-N657 WeakPolarHBondContact CD1-ND2 3.11Å; F648-N657 HydrophobicContact CD2-CB 3.82Å; F648-N657 WeakPolarHBondContact CE1-ND2 3.37Å; F648-N657 HydrophobicContact CE2-CB 3.69Å; F648-N657 HydrophobicContact CG-CB 4.3Å; F648-N657 HydrophobicContact CZ-CB 4.06Å; F648-N657 WeakPolarHBondContact CZ-ND2 3.33Å; F648-S689 VanDerWaalsContact CE1-O 3.27Å; F648-S689 WeakPolarHBondContact CE1-O 3.46Å; F648-S689 VanDerWaalsContact CZ-O 3.27Å; F648-S689 WeakPolarHBondContact CZ-O 3.25Å | ||
| 649 | P | 92.7 | Very high | 93.2 | Very high | 111 Ų | 111 | 54.2 Ų | 54.2 | 72% | 0.721 | 26% | 0.264 | S | S | * | . | trans | -74.8 | -26.6 | -177.1 | 27.5 | -33.8 | 0 | 0 | 0 | 112.8 | R647 | R647-P649 WeakPolarHBondContact O-CD 3.43Š| ||
| 650 | E | 90.7 | Very high | 93.2 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -75.2 | 124.7 | 176.9 | -165.7 | -77.4 | 132.1 | 0 | 0 | 109.8 | T652 V653 W654 | E650-T652 VanDerWaalsContact C-N 3.32Å; E650-T652 VanDerWaalsContact CD-N 3.27Å; E650-T652 PolarHBondContact O-N 3.19Å; E650-T652 WeakPolarHBondContact OE1-CB 3.04Å; E650-T652 PolarHBondContact OE1-N 3.47Å; E650-T652 PolarHBondContact OE1-OG1 2.9Å; E650-T652 WeakPolarHBondContact OE2-CA 3.35Å; E650-T652 VanDerWaalsContact OE2-CB 3.24Å; E650-T652 WeakPolarHBondContact OE2-CB 3.2Å; E650-T652 PolarHBondContact OE2-N 3Å; E650-T652 VanDerWaalsContact OE2-N 3.09Å; E650-V653 HydrophobicContact CB-CB 4.48Å; E650-V653 PolarHBondContact O-N 3.3Å; E650-V653 WeakPolarHBondContact OE2-CB 3.22Å; E650-V653 WeakPolarHBondContact OE2-CG2 3.41Å; E650-V653 PolarHBondContact OE2-N 3.37Å; E650-W654 VanDerWaalsContact O-CB 3.31Å; E650-W654 WeakPolarHBondContact O-CB 3.33Å; E650-W654 PolarHBondContact O-N 2.92Å |
| 651 | P | 90.6 | Very high | 93.3 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.9 | -35.2 | -171.5 | -28.1 | 35.6 | 0 | 0 | 0 | 115.3 | Y655 | P651-Y655 VanDerWaalsContact O-CB 3.32Å; P651-Y655 WeakPolarHBondContact O-CB 3.43Å; P651-Y655 PolarHBondContact O-N 3.44Å |
| 652 | T | 87.2 | Confident | 93.4 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 28% | 0.276 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.7 | -49.7 | -177 | -43.5 | 0 | 0 | 0 | 0 | 110.9 | E650 W654 Y655 Q656 | E650-T652 VanDerWaalsContact C-N 3.32Å; E650-T652 VanDerWaalsContact CD-N 3.27Å; E650-T652 PolarHBondContact O-N 3.19Å; E650-T652 WeakPolarHBondContact OE1-CB 3.04Å; E650-T652 PolarHBondContact OE1-N 3.47Å; E650-T652 PolarHBondContact OE1-OG1 2.9Å; E650-T652 WeakPolarHBondContact OE2-CA 3.35Å; E650-T652 VanDerWaalsContact OE2-CB 3.24Å; E650-T652 WeakPolarHBondContact OE2-CB 3.2Å; E650-T652 PolarHBondContact OE2-N 3Å; E650-T652 VanDerWaalsContact OE2-N 3.09Å; T652-W654 VanDerWaalsContact C-N 3.32Å; T652-W654 PolarHBondContact O-N 3.29Å; T652-Y655 PolarHBondContact O-N 2.95Å; T652-Q656 WeakPolarHBondContact O-CB 3.48Å; T652-Q656 VanDerWaalsContact O-CG 3.26Å; T652-Q656 WeakPolarHBondContact O-CG 2.98Å; T652-Q656 PolarHBondContact O-N 3.01Å |
| 653 | V | 89.7 | Confident | 93.5 | Very high | 42 Ų | 42 | 54 Ų | 54 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | F648 E650 Q656 N657 | F648-V653 HydrophobicContact CB-CG1 4.22Å; F648-V653 HydrophobicContact CD1-CG1 3.88Å; F648-V653 HydrophobicContact CG-CG1 4.28Å; E650-V653 HydrophobicContact CB-CB 4.48Å; E650-V653 PolarHBondContact O-N 3.3Å; E650-V653 WeakPolarHBondContact OE2-CB 3.22Å; E650-V653 WeakPolarHBondContact OE2-CG2 3.41Å; E650-V653 PolarHBondContact OE2-N 3.37Å; V653-Q656 PolarHBondContact O-N 3.47Å; V653-N657 VanDerWaalsContact O-CB 3.28Å; V653-N657 WeakPolarHBondContact O-CB 3.4Å; V653-N657 VanDerWaalsContact O-CG 3.3Å; V653-N657 PolarHBondContact O-N 3.09Å |
| 654 | W | 93.8 | Very high | 93.6 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 24% | 0.239 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.6 | -50.6 | 173.3 | 169.8 | 74.5 | 0 | 0 | 0 | 112.1 | R645 F648 E650 T652 Q656 N657 R658 | R645-W654 HydrophobicContact CG-CZ2 4.43Å; F648-W654 HydrophobicContact CB-CB 4.02Å; F648-W654 WeakPolarHBondContact O-CB 3.47Å; E650-W654 VanDerWaalsContact O-CB 3.31Å; E650-W654 WeakPolarHBondContact O-CB 3.33Å; E650-W654 PolarHBondContact O-N 2.92Å; T652-W654 VanDerWaalsContact C-N 3.32Å; T652-W654 PolarHBondContact O-N 3.29Å; W654-Q656 PolarHBondContact O-N 3.21Å; W654-N657 PolarHBondContact O-N 3.47Å; W654-R658 VanDerWaalsContact CH2-NH1 3.34Å; W654-R658 VanDerWaalsContact O-CB 3.29Å; W654-R658 WeakPolarHBondContact O-CB 3.42Å; W654-R658 PolarHBondContact O-N 3.23Å |
| 655 | Y | 92.2 | Very high | 93.7 | Very high | 116 Ų | 116 | 53.4 Ų | 53.4 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | -178.8 | 178.3 | -103.5 | 0 | 0 | 0 | 111.4 | P651 T652 R658 L659 | P651-Y655 VanDerWaalsContact O-CB 3.32Å; P651-Y655 WeakPolarHBondContact O-CB 3.43Å; P651-Y655 PolarHBondContact O-N 3.44Å; T652-Y655 PolarHBondContact O-N 2.95Å; Y655-R658 PolarHBondContact O-N 3.19Å; Y655-L659 HydrophobicContact CD1-CD1 3.92Å; Y655-L659 HydrophobicContact CE1-CD1 3.36Å; Y655-L659 HydrophobicContact CE1-CG 4.23Å; Y655-L659 HydrophobicContact CE2-CD1 4.43Å; Y655-L659 WeakPolarHBondContact O-CG 3.42Å; Y655-L659 PolarHBondContact O-N 3.38Å |
| 656 | Q | 90.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -51.7 | 175.3 | -74.2 | 165.4 | 3.4 | 0 | 0 | 112.2 | S34 D35 T652 V653 W654 R658 L659 N660 | S34-Q656 PolarHBondContact OG-NE2 3.27Å; S34-Q656 VanDerWaalsContact OG-NE2 3.14Å; S34-Q656 PolarHBondContact OG-OE1 3.01Å; D35-Q656 WeakPolarHBondContact OD2-CG 3.22Å; D35-Q656 PolarHBondContact OD2-NE2 3.14Å; T652-Q656 WeakPolarHBondContact O-CB 3.48Å; T652-Q656 VanDerWaalsContact O-CG 3.26Å; T652-Q656 WeakPolarHBondContact O-CG 2.98Å; T652-Q656 PolarHBondContact O-N 3.01Å; V653-Q656 PolarHBondContact O-N 3.47Å; W654-Q656 PolarHBondContact O-N 3.21Å; Q656-R658 VanDerWaalsContact C-N 3.3Å; Q656-R658 PolarHBondContact O-N 2.93Å; Q656-L659 CarbonylContact O-C 3.54Å; Q656-L659 WeakPolarHBondContact O-CA 3.26Å; Q656-L659 WeakPolarHBondContact O-CB 3.49Å; Q656-L659 PolarHBondContact O-N 3.01Å; Q656-N660 PolarHBondContact O-N 2.96Å |
| 657 | N | 94 | Very high | 94 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.5 | -32 | -176.7 | -72 | -11.2 | 0 | 0 | 0 | 111.8 | F648 V653 W654 N660 F661 N690 S691 | F648-N657 WeakPolarHBondContact CD1-ND2 3.11Å; F648-N657 HydrophobicContact CD2-CB 3.82Å; F648-N657 WeakPolarHBondContact CE1-ND2 3.37Å; F648-N657 HydrophobicContact CE2-CB 3.69Å; F648-N657 HydrophobicContact CG-CB 4.3Å; F648-N657 HydrophobicContact CZ-CB 4.06Å; F648-N657 WeakPolarHBondContact CZ-ND2 3.33Å; V653-N657 VanDerWaalsContact O-CB 3.28Å; V653-N657 WeakPolarHBondContact O-CB 3.4Å; V653-N657 VanDerWaalsContact O-CG 3.3Å; V653-N657 PolarHBondContact O-N 3.09Å; W654-N657 PolarHBondContact O-N 3.47Å; N657-N660 PolarHBondContact O-N 3.35Å; N657-F661 WeakPolarHBondContact O-CB 3.28Å; N657-F661 PolarHBondContact O-N 3.08Å; N657-N690 PolarHBondContact ND2-O 3.37Å; N657-N690 VanDerWaalsContact ND2-O 3.12Å; N657-S691 WeakPolarHBondContact CA-O 3.42Å; N657-S691 VanDerWaalsContact CG-C 3.5Å; N657-S691 VanDerWaalsContact CG-O 3.3Å; N657-S691 PolarHBondContact OD1-O 3.44Å |
| 658 | R | 95.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 168.9 | -172.8 | -171.8 | 68.5 | 171.1 | 2 | 112.3 | W654 Y655 Q656 F661 T662 A726 | W654-R658 VanDerWaalsContact CH2-NH1 3.34Å; W654-R658 VanDerWaalsContact O-CB 3.29Å; W654-R658 WeakPolarHBondContact O-CB 3.42Å; W654-R658 PolarHBondContact O-N 3.23Å; Y655-R658 PolarHBondContact O-N 3.19Å; Q656-R658 VanDerWaalsContact C-N 3.3Å; Q656-R658 PolarHBondContact O-N 2.93Å; R658-F661 WeakPolarHBondContact O-CB 3.35Å; R658-T662 WeakPolarHBondContact O-CB 3.24Å; R658-T662 PolarHBondContact O-N 2.79Å; R658-T662 PolarHBondContact O-OG1 3.28Å; R658-A726 WeakPolarHBondContact CD-O 3.39Å; R658-A726 VanDerWaalsContact CG-O 3.25Å; R658-A726 WeakPolarHBondContact CG-O 3.46Å |
| 659 | L | 94.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.4 | -76.3 | 177.7 | 0 | 0 | 0 | 111.3 | Y655 Q656 T662 R663 | Y655-L659 HydrophobicContact CD1-CD1 3.92Å; Y655-L659 HydrophobicContact CE1-CD1 3.36Å; Y655-L659 HydrophobicContact CE1-CG 4.23Å; Y655-L659 HydrophobicContact CE2-CD1 4.43Å; Y655-L659 WeakPolarHBondContact O-CG 3.42Å; Y655-L659 PolarHBondContact O-N 3.38Å; Q656-L659 CarbonylContact O-C 3.54Å; Q656-L659 WeakPolarHBondContact O-CA 3.26Å; Q656-L659 WeakPolarHBondContact O-CB 3.49Å; Q656-L659 PolarHBondContact O-N 3.01Å; L659-T662 PolarHBondContact O-N 3.13Å; L659-R663 WeakPolarHBondContact O-CB 3.3Å; L659-R663 VanDerWaalsContact O-CD 3.3Å; L659-R663 WeakPolarHBondContact O-CD 3.44Å; L659-R663 WeakPolarHBondContact O-CG 3.38Å; L659-R663 PolarHBondContact O-N 2.85Å |
| 660 | N | 95.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 30.6 Ų | 30.6 | 19% | 0.187 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -50.8 | 174.8 | -69.2 | -19.6 | 0 | 0 | 0 | 110.5 | Q656 N657 T662 R663 T664 S691 E693 | Q656-N660 PolarHBondContact O-N 2.96Å; N657-N660 PolarHBondContact O-N 3.35Å; N660-T662 VanDerWaalsContact C-N 3.33Å; N660-T662 PolarHBondContact O-N 3.03Å; N660-R663 PolarHBondContact O-N 3.04Å; N660-T664 PolarHBondContact O-N 2.88Å; N660-T664 PolarHBondContact O-OG1 2.62Å; N660-S691 WeakPolarHBondContact CB-O 3.41Å; N660-S691 PolarHBondContact ND2-O 3.23Å; N660-S691 VanDerWaalsContact ND2-O 3.11Å; N660-E693 HydrophobicContact CB-CG 4.07Å |
| 661 | F | 97 | Very high | 94.7 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -47.5 | -55.1 | 172.3 | 171.5 | -104.7 | 0 | 0 | 0 | 111.8 | L640 F644 N657 R658 R663 T664 C665 L687 G692 V694 M723 A726 M727 | L640-F661 HydrophobicContact CD2-CE2 4.28Å; L640-F661 HydrophobicContact CD2-CZ 3.92Å; F644-F661 HydrophobicContact CE1-CB 4Å; F644-F661 HydrophobicContact CE1-CG 4.44Å; F644-F661 HydrophobicContact CE2-CB 4.32Å; F644-F661 HydrophobicContact CE2-CD1 4.16Å; F644-F661 HydrophobicContact CE2-CD2 4.07Å; F644-F661 HydrophobicContact CE2-CE2 4.48Å; F644-F661 AromaticContact CE2-CG 3.92Å; F644-F661 HydrophobicContact CE2-CG 3.92Å; F644-F661 HydrophobicContact CZ-CB 3.5Å; F644-F661 HydrophobicContact CZ-CD1 4.16Å; F644-F661 AromaticContact CZ-CD2 3.63Å; F644-F661 HydrophobicContact CZ-CD2 3.63Å; F644-F661 HydrophobicContact CZ-CE2 4.42Å; F644-F661 AromaticContact CZ-CG 3.48Å; F644-F661 HydrophobicContact CZ-CG 3.48Å; F644-F661 VanDerWaalsContact CZ-CG 3.48Å; N657-F661 WeakPolarHBondContact O-CB 3.28Å; N657-F661 PolarHBondContact O-N 3.08Å; R658-F661 WeakPolarHBondContact O-CB 3.35Å; F661-R663 VanDerWaalsContact C-N 3.35Å; F661-R663 PolarHBondContact O-N 2.87Å; F661-T664 PolarHBondContact O-OG1 3.44Å; F661-C665 WeakPolarHBondContact O-CB 3.31Å; F661-C665 PolarHBondContact O-N 2.93Å; F661-L687 HydrophobicContact CD2-CD2 3.89Å; F661-L687 HydrophobicContact CE2-CD2 3.78Å; F661-G692 WeakPolarHBondContact CA-O 3.18Å; F661-G692 WeakPolarHBondContact CB-O 3.21Å; F661-G692 PolarHBondContact N-O 3.06Å; F661-V694 HydrophobicContact CD2-CG2 3.22Å; F661-V694 HydrophobicContact CE2-CG2 3.36Å; F661-V694 HydrophobicContact CG-CG2 4.24Å; F661-V694 HydrophobicContact CZ-CG2 4.46Å; F661-M723 HydrophobicContact CZ-CB 4.37Å; F661-M723 HydrophobicContact CZ-CE 4.41Å; F661-M723 HydrophobicContact CZ-CG 4.46Å; F661-A726 HydrophobicContact CD1-CB 4.47Å; F661-A726 HydrophobicContact CE1-CB 3.87Å; F661-A726 HydrophobicContact CZ-CB 4.36Å; F661-M727 HydrophobicContact CE1-CE 4.48Å; F661-M727 HydrophobicContact CE1-CG 4.14Å |
| 662 | T | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | -176.5 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | R658 L659 N660 A666 M727 F736 | R658-T662 WeakPolarHBondContact O-CB 3.24Å; R658-T662 PolarHBondContact O-N 2.79Å; R658-T662 PolarHBondContact O-OG1 3.28Å; L659-T662 PolarHBondContact O-N 3.13Å; N660-T662 VanDerWaalsContact C-N 3.33Å; N660-T662 PolarHBondContact O-N 3.03Å; T662-A666 WeakPolarHBondContact O-CB 3.46Å; T662-A666 PolarHBondContact O-N 3.32Å; T662-M727 HydrophobicContact CG2-CB 4.38Å; T662-M727 HydrophobicContact CG2-CG 4.04Å; T662-M727 HydrophobicContact CG2-SD 4.38Å; T662-F736 HydrophobicContact CG2-CB 3.75Å; T662-F736 HydrophobicContact CG2-CD2 4.35Å |
| 663 | R | 96.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 21.4 Ų | 21.4 | 18% | 0.181 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69 | -49.9 | -178.7 | -70 | 161.4 | 177 | 176.3 | 1.2 | 111.5 | R562 L659 N660 F661 C665 A666 V667 | R562-R663 VanDerWaalsContact O-CD 3.24Å; R562-R663 WeakPolarHBondContact O-CD 3.29Å; R562-R663 PolarHBondContact O-NE 3.2Å; R562-R663 PolarHBondContact O-NH1 3.21Å; L659-R663 WeakPolarHBondContact O-CB 3.3Å; L659-R663 VanDerWaalsContact O-CD 3.3Å; L659-R663 WeakPolarHBondContact O-CD 3.44Å; L659-R663 WeakPolarHBondContact O-CG 3.38Å; L659-R663 PolarHBondContact O-N 2.85Å; N660-R663 PolarHBondContact O-N 3.04Å; F661-R663 VanDerWaalsContact C-N 3.35Å; F661-R663 PolarHBondContact O-N 2.87Å; R663-C665 VanDerWaalsContact C-N 3.32Å; R663-C665 PolarHBondContact O-N 3.25Å; R663-A666 PolarHBondContact O-N 3.46Å; R663-V667 VanDerWaalsContact O-CG2 3.29Å; R663-V667 WeakPolarHBondContact O-CG2 3.42Å; R663-V667 PolarHBondContact O-N 2.97Å |
| 664 | T | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 179.4 | 53 | 0 | 0 | 0 | 0 | 111.6 | N660 F661 M668 E693 V694 | N660-T664 PolarHBondContact O-N 2.88Å; N660-T664 PolarHBondContact O-OG1 2.62Å; F661-T664 PolarHBondContact O-OG1 3.44Å; T664-M668 WeakPolarHBondContact O-CB 3.44Å; T664-M668 PolarHBondContact O-N 3.48Å; T664-E693 HydrophobicContact CG2-CB 3.97Å; T664-E693 HydrophobicContact CG2-CG 3.74Å; T664-V694 PolarHBondContact OG1-N 3.2Å |
| 665 | C | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.007 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.3 | -50 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | F661 R663 V667 M668 S669 V694 M723 F736 | F661-C665 WeakPolarHBondContact O-CB 3.31Å; F661-C665 PolarHBondContact O-N 2.93Å; R663-C665 VanDerWaalsContact C-N 3.32Å; R663-C665 PolarHBondContact O-N 3.25Å; C665-V667 PolarHBondContact O-N 3.07Å; C665-M668 PolarHBondContact O-N 3.31Å; C665-S669 VanDerWaalsContact O-CB 3.31Å; C665-S669 WeakPolarHBondContact O-CB 3.16Å; C665-S669 PolarHBondContact O-N 3.01Å; C665-S669 PolarHBondContact O-OG 3.38Å; C665-V694 HydrophobicContact CB-CG2 4.06Å; C665-M723 WeakPolarHBondContact SG-CE 3.43Å; C665-F736 HydrophobicContact CB-CE2 4.25Å |
| 666 | A | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T662 R663 M670 F736 C739 | T662-A666 WeakPolarHBondContact O-CB 3.46Å; T662-A666 PolarHBondContact O-N 3.32Å; R663-A666 PolarHBondContact O-N 3.46Å; A666-M670 WeakPolarHBondContact O-CG 3.39Å; A666-M670 PolarHBondContact O-N 3.2Å; A666-F736 VanDerWaalsContact CA-CE2 3.46Å; A666-F736 HydrophobicContact CB-CD2 3.66Å; A666-F736 HydrophobicContact CB-CE2 3.8Å; A666-F736 HydrophobicContact CB-CG 4.32Å; A666-C739 HydrophobicContact CB-CB 3.49Å; A666-C739 VanDerWaalsContact CB-CB 3.49Å |
| 667 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63 | -50 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | L553 M564 V566 R663 C665 S669 M670 V671 T743 | L553-V667 HydrophobicContact CD1-CG1 3.83Å; M564-V667 HydrophobicContact CB-CG2 4.11Å; M564-V667 HydrophobicContact CE-CG2 3.55Å; M564-V667 HydrophobicContact CG-CG2 4.46Å; V566-V667 HydrophobicContact CG2-CB 4.41Å; V566-V667 HydrophobicContact CG2-CG1 3.41Å; V566-V667 VanDerWaalsContact CG2-CG1 3.41Å; R663-V667 VanDerWaalsContact O-CG2 3.29Å; R663-V667 WeakPolarHBondContact O-CG2 3.42Å; R663-V667 PolarHBondContact O-N 2.97Å; C665-V667 PolarHBondContact O-N 3.07Å; V667-S669 PolarHBondContact O-N 2.93Å; V667-M670 PolarHBondContact O-N 3.13Å; V667-V671 HydrophobicContact CG1-CG2 4.42Å; V667-V671 WeakPolarHBondContact O-CG2 3.36Å; V667-V671 PolarHBondContact O-N 3.2Å; V667-T743 HydrophobicContact CG1-CG2 4.21Å |
| 668 | M | 96.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 10.3 Ų | 10.3 | 3% | 0.034 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.5 | -30.7 | -176.4 | -165.4 | 60.1 | -156.2 | 0 | 0 | 112.7 | V566 T664 C665 V671 G672 L677 H696 F699 | V566-M668 HydrophobicContact CG1-SD 3.81Å; T664-M668 WeakPolarHBondContact O-CB 3.44Å; T664-M668 PolarHBondContact O-N 3.48Å; C665-M668 PolarHBondContact O-N 3.31Å; M668-V671 HydrophobicContact CE-CG1 4.41Å; M668-V671 HydrophobicContact SD-CB 4.41Å; M668-V671 HydrophobicContact SD-CG1 4.31Å; M668-G672 WeakPolarHBondContact O-CA 3.48Å; M668-G672 PolarHBondContact O-N 3.47Å; M668-L677 HydrophobicContact CE-CD2 3.68Å; M668-H696 HydrophobicContact CE-CB 4.23Å; M668-H696 HydrophobicContact CG-CB 4.3Å; M668-H696 VanDerWaalsContact CG-CD2 3.5Å; M668-H696 WeakPolarHBondContact CG-CD2 3.44Å; M668-F699 HydrophobicContact CE-CE1 3.83Å; M668-F699 HydrophobicContact CE-CZ 4.34Å |
| 669 | S | 96.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 3% | 0.028 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 172 | -68.3 | 0 | 0 | 0 | 0 | 112 | C665 V667 F673 F717 | C665-S669 VanDerWaalsContact O-CB 3.31Å; C665-S669 WeakPolarHBondContact O-CB 3.16Å; C665-S669 PolarHBondContact O-N 3.01Å; C665-S669 PolarHBondContact O-OG 3.38Å; V667-S669 PolarHBondContact O-N 2.93Å; S669-F673 WeakPolarHBondContact O-CB 3.35Å; S669-F673 PolarHBondContact O-N 3.07Å; S669-F717 VanDerWaalsContact OG-CD2 3.31Å; S669-F717 WeakPolarHBondContact OG-CD2 3.18Å |
| 670 | M | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -71.7 | -41.5 | 179.2 | -64 | -58.4 | 95.1 | 0 | 0 | 111.9 | A666 V667 F673 V674 F717 C740 T743 M744 V819 L822 | A666-M670 WeakPolarHBondContact O-CG 3.39Å; A666-M670 PolarHBondContact O-N 3.2Å; V667-M670 PolarHBondContact O-N 3.13Å; M670-F673 PolarHBondContact O-N 2.88Å; M670-V674 WeakPolarHBondContact O-CG2 3.12Å; M670-V674 PolarHBondContact O-N 2.82Å; M670-F717 HydrophobicContact CE-CD1 4.16Å; M670-F717 HydrophobicContact CE-CE1 3.42Å; M670-F717 VanDerWaalsContact CE-CE1 3.42Å; M670-F717 HydrophobicContact CE-CZ 3.78Å; M670-C740 HydrophobicContact CE-CB 4.32Å; M670-C740 HydrophobicContact CG-CB 3.82Å; M670-C740 HydrophobicContact SD-CB 3.83Å; M670-T743 HydrophobicContact CB-CG2 3.78Å; M670-T743 HydrophobicContact CG-CG2 4.44Å; M670-M744 HydrophobicContact CB-CG 4.12Å; M670-M744 HydrophobicContact CB-SD 3.91Å; M670-M744 HydrophobicContact CG-CG 3.82Å; M670-M744 HydrophobicContact CG-SD 4.23Å; M670-M744 HydrophobicContact SD-CG 3.46Å; M670-M744 WeakPolarHBondContact SD-CG 3.46Å; M670-M744 HydrophobicContact SD-SD 3.95Å; M670-V819 HydrophobicContact SD-CG2 4.23Å; M670-L822 HydrophobicContact CE-CD1 4.39Å; M670-L822 HydrophobicContact SD-CD1 4.35Å |
| 671 | V | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 174.2 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | F545 V549 V667 M668 F673 V674 L675 L747 | F545-V671 HydrophobicContact CD1-CG1 4.39Å; F545-V671 HydrophobicContact CE1-CG1 3.94Å; V549-V671 HydrophobicContact CG1-CG2 4.1Å; V549-V671 HydrophobicContact CG2-CG2 4.39Å; V667-V671 HydrophobicContact CG1-CG2 4.42Å; V667-V671 WeakPolarHBondContact O-CG2 3.36Å; V667-V671 PolarHBondContact O-N 3.2Å; M668-V671 HydrophobicContact CE-CG1 4.41Å; M668-V671 HydrophobicContact SD-CB 4.41Å; M668-V671 HydrophobicContact SD-CG1 4.31Å; V671-F673 PolarHBondContact O-N 2.98Å; V671-V674 PolarHBondContact O-N 2.92Å; V671-L675 HydrophobicContact CG1-CD1 3.89Å; V671-L675 WeakPolarHBondContact O-CG 3.47Å; V671-L675 PolarHBondContact O-N 3.32Å; V671-L747 HydrophobicContact CG2-CD1 4.39Å |
| 672 | G | 93.7 | Very high | 94 | Very high | 6 Ų | 6 | 10.4 Ų | 10.4 | 6% | 0.062 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M668 L675 G676 L677 | M668-G672 WeakPolarHBondContact O-CA 3.48Å; M668-G672 PolarHBondContact O-N 3.47Å; G672-L675 PolarHBondContact O-N 3.15Å; G672-G676 WeakPolarHBondContact O-CA 3.24Å; G672-G676 PolarHBondContact O-N 3.23Å; G672-L677 PolarHBondContact O-N 3.09Å |
| 673 | F | 93.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 15.6 Ų | 15.6 | 8% | 0.079 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.2 | 167.9 | -104.4 | 0 | 0 | 0 | 112.5 | S669 M670 V671 L675 G676 P716 F717 R796 L822 | S669-F673 WeakPolarHBondContact O-CB 3.35Å; S669-F673 PolarHBondContact O-N 3.07Å; M670-F673 PolarHBondContact O-N 2.88Å; V671-F673 PolarHBondContact O-N 2.98Å; F673-L675 VanDerWaalsContact C-N 3.31Å; F673-L675 PolarHBondContact O-N 3.09Å; F673-G676 PolarHBondContact O-N 3.05Å; F673-P716 HydrophobicContact CD2-CB 3.73Å; F673-P716 HydrophobicContact CE2-CB 4.32Å; F673-F717 HydrophobicContact CB-CD1 4.45Å; F673-R796 HydrophobicContact CE1-CB 4.09Å; F673-R796 HydrophobicContact CE1-CG 4.06Å; F673-R796 HydrophobicContact CZ-CB 4.32Å; F673-R796 HydrophobicContact CZ-CG 3.79Å; F673-R796 WeakPolarHBondContact O-CD 3.26Å; F673-R796 PolarHBondContact O-NH1 2.77Å; F673-L822 HydrophobicContact CD1-CD1 3.61Å; F673-L822 HydrophobicContact CD1-CD2 4.3Å; F673-L822 HydrophobicContact CD2-CD1 4.33Å; F673-L822 HydrophobicContact CD2-CD2 3.61Å; F673-L822 HydrophobicContact CE1-CD1 3.7Å; F673-L822 HydrophobicContact CE1-CD2 4.09Å; F673-L822 HydrophobicContact CE2-CD1 4.41Å; F673-L822 HydrophobicContact CE2-CD2 3.34Å; F673-L822 HydrophobicContact CG-CD1 3.93Å; F673-L822 HydrophobicContact CG-CD2 4.08Å; F673-L822 HydrophobicContact CZ-CD1 4.11Å; F673-L822 HydrophobicContact CZ-CD2 3.6Å; F673-L822 HydrophobicContact CZ-CG 4.44Å |
| 674 | V | 91.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | -179.6 | 165.5 | 0 | 0 | 0 | 0 | 111 | M670 V671 M744 L747 I793 R796 L797 | M670-V674 WeakPolarHBondContact O-CG2 3.12Å; M670-V674 PolarHBondContact O-N 2.82Å; V671-V674 PolarHBondContact O-N 2.92Å; V674-M744 HydrophobicContact CG2-CE 4.35Å; V674-M744 HydrophobicContact CG2-SD 4.13Å; V674-L747 HydrophobicContact CG2-CD1 3.97Å; V674-I793 HydrophobicContact CG1-CG2 3.79Å; V674-I793 WeakPolarHBondContact O-CG1 3.48Å; V674-R796 PolarHBondContact O-NE 3.32Å; V674-L797 HydrophobicContact CG1-CD1 4.27Å; V674-L797 HydrophobicContact CG1-CD2 3.76Å; V674-L797 HydrophobicContact CG1-CG 3.88Å; V674-L797 HydrophobicContact CG2-CD2 3.94Å |
| 675 | L | 88.8 | Confident | 93.6 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -81.6 | -16.7 | -179.2 | -63.6 | 176.6 | 0 | 0 | 0 | 113.8 | L542 F545 V671 G672 F673 L702 F703 L758 | L542-L675 HydrophobicContact CD1-CD1 3.18Å; F545-L675 HydrophobicContact CD1-CD1 3.87Å; F545-L675 HydrophobicContact CE1-CD1 3.81Å; F545-L675 HydrophobicContact CE1-CD2 4.18Å; F545-L675 HydrophobicContact CE1-CG 4.21Å; F545-L675 HydrophobicContact CE2-CD2 4.12Å; F545-L675 HydrophobicContact CZ-CD1 4.4Å; F545-L675 HydrophobicContact CZ-CD2 3.93Å; F545-L675 HydrophobicContact CZ-CG 4.36Å; V671-L675 HydrophobicContact CG1-CD1 3.89Å; V671-L675 WeakPolarHBondContact O-CG 3.47Å; V671-L675 PolarHBondContact O-N 3.32Å; G672-L675 PolarHBondContact O-N 3.15Å; F673-L675 VanDerWaalsContact C-N 3.31Å; F673-L675 PolarHBondContact O-N 3.09Å; L675-L702 HydrophobicContact CB-CD2 4.35Å; L675-F703 WeakPolarHBondContact O-CA 3.47Å; L675-F703 PolarHBondContact O-N 3.03Å; L675-F703 VanDerWaalsContact O-N 3.14Å; L675-L758 HydrophobicContact CD2-CD1 3.97Å; L675-L758 HydrophobicContact CD2-CD2 3.71Å; L675-L758 HydrophobicContact CD2-CG 4.48Å |
| 676 | G | 88.9 | Confident | 93.5 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 5% | 0.052 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 43.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G672 F673 G678 L702 F703 N704 R796 | G672-G676 WeakPolarHBondContact O-CA 3.24Å; G672-G676 PolarHBondContact O-N 3.23Å; F673-G676 PolarHBondContact O-N 3.05Å; G676-G678 PolarHBondContact O-N 3Å; G676-L702 CarbonylContact O-C 3.15Å; G676-F703 PolarHBondContact O-N 2.95Å; G676-N704 WeakPolarHBondContact CA-OD1 3.45Å; G676-N704 PolarHBondContact O-N 2.63Å; G676-R796 VanDerWaalsContact CA-NH1 3.31Å |
| 677 | L | 90.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 14.8 Ų | 14.8 | 7% | 0.073 | 8% | 0.077 | C | C | . | . | trans | -73.2 | 116.8 | 177.1 | 178.4 | 60.2 | 0 | 0 | 0 | 110.8 | M668 G672 R680 F699 L702 | M668-L677 HydrophobicContact CE-CD2 3.68Å; G672-L677 PolarHBondContact O-N 3.09Å; L677-R680 HydrophobicContact CG-CG 4.42Å; L677-F699 HydrophobicContact CD1-CD1 3.65Å; L677-F699 HydrophobicContact CD1-CE1 4.37Å; L677-F699 HydrophobicContact CD2-CD1 3.85Å; L677-F699 HydrophobicContact CD2-CE1 3.71Å; L677-F699 HydrophobicContact CG-CD1 4.43Å; L677-L702 HydrophobicContact CB-CD2 4.21Å; L677-L702 HydrophobicContact CD1-CD2 3.85Å; L677-L702 HydrophobicContact CD1-CG 4.45Å | ||
| 678 | G | 89.3 | Confident | 93.4 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | trans | -111.1 | -168 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G676 R680 C701 E713 | G676-G678 PolarHBondContact O-N 3Å; G678-R680 VanDerWaalsContact C-N 3.32Å; G678-R680 VanDerWaalsContact O-CZ 3.26Å; G678-R680 PolarHBondContact O-N 3.03Å; G678-R680 PolarHBondContact O-NE 3.03Å; G678-R680 PolarHBondContact O-NH2 3.35Å; G678-C701 PolarHBondContact N-O 2.9Å; G678-E713 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 679 | D | 90.8 | Very high | 93.3 | Very high | 52 Ų | 52 | 15.2 Ų | 15.2 | 28% | 0.278 | 8% | 0.08 | S | C | . | . | trans | 55.9 | 43.8 | -176.6 | -163.8 | 24.9 | 0 | 0 | 0 | 112.7 | H681 N684 C701 E713 | D679-H681 PolarHBondContact O-N 3.5Å; D679-H681 IonicContact OD1-CD2 2.62Å; D679-H681 PolarHBondContact OD1-CD2 2.96Å; D679-H681 IonicContact OD1-NE2 3.66Å; D679-H681 IonicContact OD2-NE2 3.81Å; D679-N684 PolarHBondContact O-ND2 3.09Å; D679-C701 HydrophobicContact CB-CB 3.55Å; D679-E713 WeakPolarHBondContact CA-OE1 3.49Å; D679-E713 PolarHBondContact N-OE1 2.87Å; D679-E713 VanDerWaalsContact N-OE1 3.12Å; D679-E713 PolarHBondContact N-OE2 2.82Å | ||
| 680 | R | 93.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | trans | -89.4 | 46.6 | -175.7 | -64.5 | -55.6 | 91.8 | -174.4 | 3.8 | 112.3 | L677 G678 I685 V697 D698 E713 R718 W839 | L677-R680 HydrophobicContact CG-CG 4.42Å; G678-R680 VanDerWaalsContact C-N 3.32Å; G678-R680 VanDerWaalsContact O-CZ 3.26Å; G678-R680 PolarHBondContact O-N 3.03Å; G678-R680 PolarHBondContact O-NE 3.03Å; G678-R680 PolarHBondContact O-NH2 3.35Å; R680-I685 HydrophobicContact CB-CD1 4.48Å; R680-V697 PolarHBondContact NH1-O 3.49Å; R680-D698 PolarHBondContact NH1-O 3.36Å; R680-D698 PolarHBondContact NH2-O 3.44Å; R680-E713 PolarHBondContact N-OE1 3.21Å; R680-R718 HydrophobicContact CB-CB 4.31Å; R680-R718 VanDerWaalsContact O-CD 3.29Å; R680-R718 WeakPolarHBondContact O-CD 3.4Å; R680-R718 PolarHBondContact O-NH1 2.93Å; R680-W839 PolarHBondContact O-NE1 2.92Å | ||
| 681 | H | 92.5 | Very high | 93 | Very high | 39 Ų | 39 | 20.3 Ų | 20.3 | 18% | 0.181 | 11% | 0.108 | C | C | . | . | trans | -67.5 | 161.2 | 173.5 | 60.8 | 56.7 | 0 | 0 | 0 | 111.8 | D679 E683 N684 | D679-H681 PolarHBondContact O-N 3.5Å; D679-H681 IonicContact OD1-CD2 2.62Å; D679-H681 PolarHBondContact OD1-CD2 2.96Å; D679-H681 IonicContact OD1-NE2 3.66Å; D679-H681 IonicContact OD2-NE2 3.81Å; H681-E683 PolarHBondContact ND1-N 3.02Å; H681-E683 PolarHBondContact O-N 3.46Å; H681-N684 PolarHBondContact CE1-ND2 2.98Å; H681-N684 PolarHBondContact CE1-OD1 2.7Å; H681-N684 PolarHBondContact ND1-N 2.83Å; H681-N684 PolarHBondContact NE2-ND2 2.89Å; H681-N684 PolarHBondContact O-N 2.67Å | ||
| 682 | G | 92.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -6.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L590 R591 | L590-G682 PolarHBondContact N-O 3.34Å; L590-G682 VanDerWaalsContact N-O 3.09Å; R591-G682 PolarHBondContact N-O 3.3Å |
| 683 | E | 91.5 | Very high | 93 | Very high | 113 Ų | 113 | 20.5 Ų | 20.5 | 53% | 0.528 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -22.4 | 169.8 | -57.5 | 177.6 | 176.2 | 0 | 0 | 113.4 | R591 H681 | R591-E683 HydrophobicContact CB-CG 4.32Å; H681-E683 PolarHBondContact ND1-N 3.02Å; H681-E683 PolarHBondContact O-N 3.46Å |
| 684 | N | 93.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 19.9 Ų | 19.9 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -3.7 | -179.3 | -73 | -9.6 | 0 | 0 | 0 | 112.9 | D679 H681 H696 V697 | D679-N684 PolarHBondContact O-ND2 3.09Å; H681-N684 PolarHBondContact CE1-ND2 2.98Å; H681-N684 PolarHBondContact CE1-OD1 2.7Å; H681-N684 PolarHBondContact ND1-N 2.83Å; H681-N684 PolarHBondContact NE2-ND2 2.89Å; H681-N684 PolarHBondContact O-N 2.67Å; N684-H696 WeakPolarHBondContact O-CA 3.48Å; N684-V697 PolarHBondContact O-N 3.23Å |
| 685 | I | 96.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.2 | 171.7 | -54 | -158.6 | 0 | 0 | 0 | 107.4 | L590 R680 V694 R718 | L590-I685 HydrophobicContact CB-CB 4.47Å; L590-I685 VanDerWaalsContact CB-O 3.25Å; L590-I685 WeakPolarHBondContact CB-O 3.43Å; L590-I685 PolarHBondContact N-O 3.32Å; R680-I685 HydrophobicContact CB-CD1 4.48Å; I685-V694 HydrophobicContact CG2-CG1 3.54Å; I685-R718 HydrophobicContact CD1-CB 3.81Å; I685-R718 HydrophobicContact CD1-CG 4.09Å |
| 686 | L | 96.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 20.7 Ų | 20.7 | 11% | 0.105 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 152.5 | 178.3 | -55.5 | 100.6 | 0 | 0 | 0 | 111.3 | L587 E588 P589 V694 V695 V697 | L587-L686 HydrophobicContact CB-CB 3.99Å; L587-L686 HydrophobicContact CB-CD2 3.73Å; L587-L686 HydrophobicContact CB-CG 4.46Å; L587-L686 HydrophobicContact CD1-CB 4.29Å; L587-L686 HydrophobicContact CD1-CD2 4.39Å; E588-L686 CarbonylContact O-C 3.58Å; E588-L686 VanDerWaalsContact O-CA 3.29Å; E588-L686 WeakPolarHBondContact O-CA 3.32Å; P589-L686 HydrophobicContact CG-CD2 4.02Å; L686-V694 WeakPolarHBondContact O-CA 3.38Å; L686-V695 PolarHBondContact N-O 2.86Å; L686-V695 PolarHBondContact O-N 3.08Å; L686-V697 HydrophobicContact CD1-CB 3.99Å; L686-V697 HydrophobicContact CD1-CG1 3.42Å; L686-V697 VanDerWaalsContact CD1-CG1 3.42Å; L686-V697 HydrophobicContact CD1-CG2 3.38Å |
| 687 | L | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.7 | 174.6 | -57.5 | 175.1 | 0 | 0 | 0 | 108.8 | L587 E588 L590 T593 L640 W643 F661 S689 V694 | L587-L687 WeakPolarHBondContact CA-O 3.48Å; E588-L687 PolarHBondContact N-O 3.21Å; E588-L687 PolarHBondContact O-N 3.43Å; L590-L687 HydrophobicContact CD1-CD1 4.07Å; T593-L687 HydrophobicContact CG2-CD1 4.37Å; L640-L687 HydrophobicContact CD1-CD1 3.73Å; W643-L687 HydrophobicContact CD2-CD1 4.47Å; W643-L687 HydrophobicContact CE3-CD1 4.12Å; W643-L687 HydrophobicContact CH2-CB 3.82Å; W643-L687 HydrophobicContact CH2-CD1 4.19Å; W643-L687 HydrophobicContact CZ2-CB 4.4Å; W643-L687 HydrophobicContact CZ3-CB 4.22Å; W643-L687 HydrophobicContact CZ3-CD1 3.98Å; F661-L687 HydrophobicContact CD2-CD2 3.89Å; F661-L687 HydrophobicContact CE2-CD2 3.78Å; L687-S689 PolarHBondContact O-N 3.42Å; L687-V694 HydrophobicContact CD2-CG2 4.15Å |
| 688 | D | 96.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 7% | 0.07 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 113.7 | 170.4 | -176.1 | -13.4 | 0 | 0 | 0 | 109.4 | L587 N690 S691 G692 E693 | L587-D688 HydrophobicContact CD2-CB 3.75Å; D688-N690 PolarHBondContact O-N 3.38Å; D688-N690 WeakPolarHBondContact OD1-CB 3.34Å; D688-N690 PolarHBondContact OD1-N 3.2Å; D688-S691 VanDerWaalsContact CB-OG 3.3Å; D688-S691 WeakPolarHBondContact CB-OG 3.35Å; D688-S691 PolarHBondContact O-N 2.97Å; D688-S691 PolarHBondContact OD1-N 3.43Å; D688-S691 PolarHBondContact OD2-OG 3.4Å; D688-G692 VanDerWaalsContact O-CA 3.25Å; D688-G692 WeakPolarHBondContact O-CA 3.43Å; D688-G692 PolarHBondContact O-N 3.32Å; D688-E693 HydrophobicContact CB-CB 4.34Å; D688-E693 PolarHBondContact N-O 3.12Å |
| 689 | S | 94.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.2 | -178.2 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | N586 R647 F648 L687 | N586-S689 WeakPolarHBondContact CB-OG 3.35Å; N586-S689 WeakPolarHBondContact O-CB 3.36Å; N586-S689 PolarHBondContact O-N 3.17Å; N586-S689 PolarHBondContact O-OG 2.98Å; R647-S689 PolarHBondContact NE-O 2.82Å; R647-S689 PolarHBondContact NH2-O 2.65Å; R647-S689 PolarHBondContact NH2-OG 2.98Å; F648-S689 VanDerWaalsContact CE1-O 3.27Å; F648-S689 WeakPolarHBondContact CE1-O 3.46Å; F648-S689 VanDerWaalsContact CZ-O 3.27Å; F648-S689 WeakPolarHBondContact CZ-O 3.25Å; L687-S689 PolarHBondContact O-N 3.42Å |
| 690 | N | 94 | Very high | 92.9 | Very high | 88 Ų | 88 | 22.8 Ų | 22.8 | 47% | 0.471 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -41.2 | 173.6 | -69.1 | -4.7 | 0 | 0 | 0 | 112.6 | N586 N657 D688 | N586-N690 PolarHBondContact ND2-ND2 3.38Å; N657-N690 PolarHBondContact ND2-O 3.37Å; N657-N690 VanDerWaalsContact ND2-O 3.12Å; D688-N690 PolarHBondContact O-N 3.38Å; D688-N690 WeakPolarHBondContact OD1-CB 3.34Å; D688-N690 PolarHBondContact OD1-N 3.2Å |
| 691 | S | 92.5 | Very high | 92.5 | Very high | 22 Ų | 22 | 23 Ų | 23 | 15% | 0.154 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -12.9 | -171.9 | 70.4 | 0 | 0 | 0 | 0 | 114.8 | N657 N660 D688 E693 | N657-S691 WeakPolarHBondContact CA-O 3.42Å; N657-S691 VanDerWaalsContact CG-C 3.5Å; N657-S691 VanDerWaalsContact CG-O 3.3Å; N657-S691 PolarHBondContact OD1-O 3.44Å; N660-S691 WeakPolarHBondContact CB-O 3.41Å; N660-S691 PolarHBondContact ND2-O 3.23Å; N660-S691 VanDerWaalsContact ND2-O 3.11Å; D688-S691 VanDerWaalsContact CB-OG 3.3Å; D688-S691 WeakPolarHBondContact CB-OG 3.35Å; D688-S691 PolarHBondContact O-N 2.97Å; D688-S691 PolarHBondContact OD1-N 3.43Å; D688-S691 PolarHBondContact OD2-OG 3.4Å; S691-E693 PolarHBondContact O-N 2.94Å; S691-E693 WeakPolarHBondContact OG-CB 3.36Å; S691-E693 WeakPolarHBondContact OG-CG 3.46Å; S691-E693 PolarHBondContact OG-N 3.37Å |
| 692 | G | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | 73.5 | 1.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F661 D688 | F661-G692 WeakPolarHBondContact CA-O 3.18Å; F661-G692 WeakPolarHBondContact CB-O 3.21Å; F661-G692 PolarHBondContact N-O 3.06Å; D688-G692 VanDerWaalsContact O-CA 3.25Å; D688-G692 WeakPolarHBondContact O-CA 3.43Å; D688-G692 PolarHBondContact O-N 3.32Å | ||
| 693 | E | 95.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 21.6 Ų | 21.6 | 5% | 0.051 | 11% | 0.114 | C | C | . | . | trans | -66.1 | 148.1 | -178.9 | -68.4 | -176.4 | 161.4 | 0 | 0 | 112.7 | R565 R567 N660 T664 D688 S691 | R565-E693 IonicContact CZ-OE1 3.92Å; R565-E693 IonicContact CZ-OE2 3.81Å; R565-E693 IonicContact NE-OE1 2.83Å; R565-E693 PolarHBondContact NE-OE1 2.68Å; R565-E693 IonicContact NE-OE2 2.93Å; R565-E693 IonicContact NH2-OE1 3.09Å; R565-E693 PolarHBondContact NH2-OE1 3.46Å; R565-E693 IonicContact NH2-OE2 3.87Å; R565-E693 PolarHBondContact NH2-OE2 3.48Å; R567-E693 WeakPolarHBondContact CD-OE2 3.44Å; R567-E693 IonicContact NE-OE2 3.31Å; N660-E693 HydrophobicContact CB-CG 4.07Å; T664-E693 HydrophobicContact CG2-CB 3.97Å; T664-E693 HydrophobicContact CG2-CG 3.74Å; D688-E693 HydrophobicContact CB-CB 4.34Å; D688-E693 PolarHBondContact N-O 3.12Å; S691-E693 PolarHBondContact O-N 2.94Å; S691-E693 WeakPolarHBondContact OG-CB 3.36Å; S691-E693 WeakPolarHBondContact OG-CG 3.46Å; S691-E693 PolarHBondContact OG-N 3.37Å | ||
| 694 | V | 96.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.03 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.8 | 171.2 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | F661 T664 C665 I685 L686 L687 | F661-V694 HydrophobicContact CD2-CG2 3.22Å; F661-V694 HydrophobicContact CE2-CG2 3.36Å; F661-V694 HydrophobicContact CG-CG2 4.24Å; F661-V694 HydrophobicContact CZ-CG2 4.46Å; T664-V694 PolarHBondContact OG1-N 3.2Å; C665-V694 HydrophobicContact CB-CG2 4.06Å; I685-V694 HydrophobicContact CG2-CG1 3.54Å; L686-V694 WeakPolarHBondContact O-CA 3.38Å; L687-V694 HydrophobicContact CD2-CG2 4.15Å |
| 695 | V | 95.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.9 | 176.9 | -172.1 | 0 | 0 | 0 | 0 | 109 | R567 L587 L686 | R567-V695 HydrophobicContact CB-CG1 4.46Å; R567-V695 HydrophobicContact CB-CG2 3.92Å; R567-V695 HydrophobicContact CG-CG1 4.5Å; R567-V695 HydrophobicContact CG-CG2 3.85Å; L587-V695 HydrophobicContact CD1-CB 4Å; L587-V695 HydrophobicContact CD1-CG1 3.95Å; L587-V695 HydrophobicContact CD1-CG2 4.18Å; L587-V695 HydrophobicContact CD2-CB 4.32Å; L587-V695 HydrophobicContact CD2-CG2 3.74Å; L686-V695 PolarHBondContact N-O 2.86Å; L686-V695 PolarHBondContact O-N 3.08Å |
| 696 | H | 94.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 19 Ų | 19 | 9% | 0.088 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.8 | 172.6 | -73.9 | -137.8 | 0 | 0 | 0 | 108.8 | M668 N684 F699 | M668-H696 HydrophobicContact CE-CB 4.23Å; M668-H696 HydrophobicContact CG-CB 4.3Å; M668-H696 VanDerWaalsContact CG-CD2 3.5Å; M668-H696 WeakPolarHBondContact CG-CD2 3.44Å; N684-H696 WeakPolarHBondContact O-CA 3.48Å; H696-F699 HydrophobicContact CB-CE1 3.77Å; H696-F699 HydrophobicContact CB-CZ 3.69Å; H696-F699 VanDerWaalsContact O-CZ 3.26Å; H696-F699 WeakPolarHBondContact O-CZ 3.38Å |
| 697 | V | 91.3 | Very high | 89.6 | Confident | 38 Ų | 38 | 22.4 Ų | 22.4 | 23% | 0.23 | 12% | 0.116 | C | C | . | . | trans | -128.5 | 168.9 | 172.5 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | Y569 R680 N684 L686 | Y569-V697 HydrophobicContact CE1-CG1 4.29Å; R680-V697 PolarHBondContact NH1-O 3.49Å; N684-V697 PolarHBondContact O-N 3.23Å; L686-V697 HydrophobicContact CD1-CB 3.99Å; L686-V697 HydrophobicContact CD1-CG1 3.42Å; L686-V697 VanDerWaalsContact CD1-CG1 3.42Å; L686-V697 HydrophobicContact CD1-CG2 3.38Å | ||
| 698 | D | 86.1 | Confident | 89 | Confident | 42 Ų | 42 | 28.5 Ų | 28.5 | 23% | 0.225 | 15% | 0.148 | C | C | . | . | trans | 58.6 | 92.4 | 177.9 | -156.8 | -36 | 0 | 0 | 0 | 112.5 | K531 R680 N700 | K531-D698 IonicContact NZ-OD2 3.47Å; R680-D698 PolarHBondContact NH1-O 3.36Å; R680-D698 PolarHBondContact NH2-O 3.44Å; D698-N700 PolarHBondContact OD1-ND2 2.91Å | ||
| 699 | F | 86.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | trans | -105 | 27.7 | -173.1 | -61.5 | -75.7 | 0 | 0 | 0 | 113.4 | D539 L542 M543 Y569 M668 L677 H696 C701 L702 | D539-F699 PolarHBondContact OD1-N 3.16Å; L542-F699 HydrophobicContact CD2-CB 3.61Å; L542-F699 HydrophobicContact CD2-CD1 2.97Å; L542-F699 HydrophobicContact CD2-CD2 3.52Å; L542-F699 HydrophobicContact CD2-CE1 3.29Å; L542-F699 HydrophobicContact CD2-CE2 3.79Å; L542-F699 HydrophobicContact CD2-CG 3.07Å; L542-F699 HydrophobicContact CD2-CZ 3.68Å; L542-F699 HydrophobicContact CG-CD1 4.47Å; L542-F699 HydrophobicContact CG-CG 4.43Å; M543-F699 HydrophobicContact CE-CD2 3.94Å; M543-F699 HydrophobicContact CE-CE2 3.29Å; M543-F699 HydrophobicContact CE-CZ 3.91Å; Y569-F699 VanDerWaalsContact OH-CE2 3.27Å; Y569-F699 WeakPolarHBondContact OH-CE2 3.28Å; M668-F699 HydrophobicContact CE-CE1 3.83Å; M668-F699 HydrophobicContact CE-CZ 4.34Å; L677-F699 HydrophobicContact CD1-CD1 3.65Å; L677-F699 HydrophobicContact CD1-CE1 4.37Å; L677-F699 HydrophobicContact CD2-CD1 3.85Å; L677-F699 HydrophobicContact CD2-CE1 3.71Å; L677-F699 HydrophobicContact CG-CD1 4.43Å; H696-F699 HydrophobicContact CB-CE1 3.77Å; H696-F699 HydrophobicContact CB-CZ 3.69Å; H696-F699 VanDerWaalsContact O-CZ 3.26Å; H696-F699 WeakPolarHBondContact O-CZ 3.38Å; F699-C701 VanDerWaalsContact C-N 3.3Å; F699-C701 PolarHBondContact O-N 3.49Å; F699-L702 HydrophobicContact CB-CD1 4.39Å; F699-L702 VanDerWaalsContact O-CD1 3.24Å; F699-L702 WeakPolarHBondContact O-CD1 3.45Å; F699-L702 VanDerWaalsContact O-CG 3.24Å; F699-L702 WeakPolarHBondContact O-CG 3.42Å | ||
| 700 | N | 80.5 | Confident | 88.1 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | trans | -66.7 | -30 | -179.5 | -74.3 | -33.7 | 0 | 0 | 0 | 113.3 | D534 D698 L702 | D534-N700 PolarHBondContact OD1-ND2 3.31Å; D534-N700 PolarHBondContact OD1-OD1 3.46Å; D534-N700 PolarHBondContact OD2-ND2 3.09Å; D698-N700 PolarHBondContact OD1-ND2 2.91Å; N700-L702 PolarHBondContact O-N 3.37Å | ||
| 701 | C | 84.6 | Confident | 87.8 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.081 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -94.5 | 78.3 | 179.5 | -164.1 | 0 | 0 | 0 | 0 | 111.8 | G678 D679 F699 G706 | G678-C701 PolarHBondContact N-O 2.9Å; D679-C701 HydrophobicContact CB-CB 3.55Å; F699-C701 VanDerWaalsContact C-N 3.3Å; F699-C701 PolarHBondContact O-N 3.49Å; C701-G706 VanDerWaalsContact SG-CA 3.59Å; C701-G706 PolarHBondContact SG-N 3.12Å |
| 702 | L | 84.4 | Confident | 87.6 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -108.4 | 169.7 | 178.3 | -76.6 | 167.3 | 0 | 0 | 0 | 112.8 | L538 L675 G676 L677 F699 N700 N704 R705 | L538-L702 HydrophobicContact CB-CD1 4.42Å; L538-L702 HydrophobicContact CD2-CD1 4.49Å; L675-L702 HydrophobicContact CB-CD2 4.35Å; G676-L702 CarbonylContact O-C 3.15Å; L677-L702 HydrophobicContact CB-CD2 4.21Å; L677-L702 HydrophobicContact CD1-CD2 3.85Å; L677-L702 HydrophobicContact CD1-CG 4.45Å; F699-L702 HydrophobicContact CB-CD1 4.39Å; F699-L702 VanDerWaalsContact O-CD1 3.24Å; F699-L702 WeakPolarHBondContact O-CD1 3.45Å; F699-L702 VanDerWaalsContact O-CG 3.24Å; F699-L702 WeakPolarHBondContact O-CG 3.42Å; N700-L702 PolarHBondContact O-N 3.37Å; L702-N704 VanDerWaalsContact C-N 3.33Å; L702-N704 PolarHBondContact O-N 3.13Å; L702-R705 WeakPolarHBondContact O-CB 3.17Å; L702-R705 WeakPolarHBondContact O-CG 3.11Å; L702-R705 PolarHBondContact O-N 3.43Å | ||
| 703 | F | 83.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 35.1 | 171.7 | -48.5 | -66.9 | 0 | 0 | 0 | 115.3 | L538 L675 G676 R705 F761 W769 H789 I793 | L538-F703 HydrophobicContact CD2-CE2 4.37Å; L675-F703 WeakPolarHBondContact O-CA 3.47Å; L675-F703 PolarHBondContact O-N 3.03Å; L675-F703 VanDerWaalsContact O-N 3.14Å; G676-F703 PolarHBondContact O-N 2.95Å; F703-R705 VanDerWaalsContact C-N 3.28Å; F703-R705 PolarHBondContact O-N 3.39Å; F703-F761 AromaticContact CZ-CD2 3.95Å; F703-F761 HydrophobicContact CZ-CD2 3.95Å; F703-F761 HydrophobicContact CZ-CE2 4.1Å; F703-F761 HydrophobicContact CZ-CG 4.23Å; F703-F761 HydrophobicContact CZ-CZ 4.46Å; F703-W769 HydrophobicContact CB-CH2 4.13Å; F703-W769 HydrophobicContact CB-CZ3 4.23Å; F703-W769 HydrophobicContact CD1-CH2 4.06Å; F703-W769 AromaticContact CD2-CH2 3.07Å; F703-W769 HydrophobicContact CD2-CH2 3.07Å; F703-W769 AromaticContact CD2-CZ2 3.64Å; F703-W769 HydrophobicContact CD2-CZ2 3.64Å; F703-W769 AromaticContact CD2-CZ3 3.7Å; F703-W769 HydrophobicContact CD2-CZ3 3.7Å; F703-W769 HydrophobicContact CE1-CH2 4.22Å; F703-W769 AromaticContact CE2-CH2 3.28Å; F703-W769 HydrophobicContact CE2-CH2 3.28Å; F703-W769 AromaticContact CE2-CZ2 3.33Å; F703-W769 HydrophobicContact CE2-CZ2 3.33Å; F703-W769 HydrophobicContact CE2-CZ3 4.27Å; F703-W769 AromaticContact CG-CH2 3.49Å; F703-W769 HydrophobicContact CG-CH2 3.49Å; F703-W769 VanDerWaalsContact CG-CH2 3.49Å; F703-W769 HydrophobicContact CG-CZ2 4.38Å; F703-W769 HydrophobicContact CG-CZ3 4.06Å; F703-W769 AromaticContact CZ-CH2 3.86Å; F703-W769 HydrophobicContact CZ-CH2 3.86Å; F703-W769 AromaticContact CZ-CZ2 3.85Å; F703-W769 HydrophobicContact CZ-CZ2 3.85Å; F703-H789 HydrophobicContact CB-CB 4.05Å; F703-H789 WeakPolarHBondContact CB-ND1 3.4Å; F703-H789 HydrophobicContact CD1-CB 4.18Å; F703-H789 HydrophobicContact CG-CB 4.25Å; F703-H789 PolarHBondContact O-CE1 3.48Å; F703-H789 VanDerWaalsContact O-CE1 3.29Å; F703-H789 PolarHBondContact O-ND1 3.27Å; F703-I793 HydrophobicContact CD1-CD1 3.86Å; F703-I793 HydrophobicContact CE1-CD1 3.74Å |
| 704 | N | 82.5 | Confident | 87.1 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 16.6 | -178.4 | -48.5 | -37.5 | 0 | 0 | 0 | 114.7 | G676 L702 G706 E707 R796 R802 | G676-N704 WeakPolarHBondContact CA-OD1 3.45Å; G676-N704 PolarHBondContact O-N 2.63Å; L702-N704 VanDerWaalsContact C-N 3.33Å; L702-N704 PolarHBondContact O-N 3.13Å; N704-G706 PolarHBondContact O-N 3.42Å; N704-E707 HydrophobicContact CB-CG 4.29Å; N704-E707 WeakPolarHBondContact O-CB 3.49Å; N704-E707 PolarHBondContact O-N 3.25Å; N704-R796 PolarHBondContact ND2-NH2 3.24Å; N704-R796 PolarHBondContact OD1-NH1 2.76Å; N704-R796 PolarHBondContact OD1-NH2 3.04Å; N704-R802 PolarHBondContact ND2-NH1 3.33Å; N704-R802 PolarHBondContact ND2-NH2 3.16Å |
| 705 | R | 83 | Confident | 87 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -56.5 | -21.1 | 170.6 | -74.4 | 179.6 | -173 | -169.1 | 2.7 | 113.3 | L702 F703 E707 D708 L709 E768 | L702-R705 WeakPolarHBondContact O-CB 3.17Å; L702-R705 WeakPolarHBondContact O-CG 3.11Å; L702-R705 PolarHBondContact O-N 3.43Å; F703-R705 VanDerWaalsContact C-N 3.28Å; F703-R705 PolarHBondContact O-N 3.39Å; R705-E707 PolarHBondContact O-N 3.36Å; R705-D708 PolarHBondContact O-N 3.48Å; R705-D708 VanDerWaalsContact O-N 3.09Å; R705-L709 PolarHBondContact O-N 2.97Å; R705-E768 IonicContact CZ-OE2 4Å; R705-E768 IonicContact NH1-OE2 2.7Å; R705-E768 PolarHBondContact NH1-OE2 3.27Å |
| 706 | G | 83.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.2 | -28.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C701 N704 D708 E713 | C701-G706 VanDerWaalsContact SG-CA 3.59Å; C701-G706 PolarHBondContact SG-N 3.12Å; N704-G706 PolarHBondContact O-N 3.42Å; G706-D708 VanDerWaalsContact C-N 3.34Å; G706-E713 PolarHBondContact O-N 2.79Å |
| 707 | E | 85.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -75.6 | -25.3 | 175.4 | -59.9 | 173.9 | -172.6 | 0 | 0 | 111.8 | N704 R705 P712 R802 | N704-E707 HydrophobicContact CB-CG 4.29Å; N704-E707 WeakPolarHBondContact O-CB 3.49Å; N704-E707 PolarHBondContact O-N 3.25Å; R705-E707 PolarHBondContact O-N 3.36Å; E707-P712 WeakPolarHBondContact O-CB 3.46Å; E707-R802 IonicContact OE1-NH1 3.15Å; E707-R802 PolarHBondContact OE1-NH1 2.75Å; E707-R802 IonicContact OE2-CZ 3.22Å; E707-R802 IonicContact OE2-NH1 2.61Å; E707-R802 PolarHBondContact OE2-NH1 3.04Å |
| 708 | D | 84.4 | Confident | 87.1 | Confident | 129 Ų | 129 | 42.4 Ų | 42.4 | 69% | 0.69 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -88.7 | -3.7 | -179 | -59.9 | -41.8 | 0 | 0 | 0 | 113.3 | R705 G706 | R705-D708 PolarHBondContact O-N 3.48Å; R705-D708 VanDerWaalsContact O-N 3.09Å; G706-D708 VanDerWaalsContact C-N 3.34Å |
| 709 | L | 85.1 | Confident | 87.5 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -62.1 | 154.6 | 175.9 | -66.6 | 176.1 | 0 | 0 | 0 | 110.7 | R705 W711 E713 | R705-L709 PolarHBondContact O-N 2.97Å; L709-W711 WeakPolarHBondContact CB-O 3.36Å; L709-W711 CarbonylContact O-C 3.45Å; L709-W711 PolarHBondContact O-N 2.79Å; L709-E713 HydrophobicContact CD1-CG 4.41Å |
| 710 | E | 85.9 | Confident | 88 | Confident | 171 Ų | 171 | 40.3 Ų | 40.3 | 80% | 0.799 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -51.7 | -36.4 | 176 | -172.5 | -171.3 | 167.9 | 0 | 0 | 111.2 | K617 | K617-E710 WeakPolarHBondContact CE-O 3.25Å; K617-E710 PolarHBondContact NZ-O 2.82Å |
| 711 | W | 87.7 | Confident | 88.7 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -113.7 | 106.3 | 167.6 | -158.5 | -58.1 | 0 | 0 | 0 | 109.2 | K617 L709 Q834 Y836 | K617-W711 VanDerWaalsContact CA-CH2 3.4Å; K617-W711 HydrophobicContact CB-CE3 3.97Å; K617-W711 HydrophobicContact CB-CH2 3.86Å; K617-W711 HydrophobicContact CB-CZ3 3.47Å; K617-W711 VanDerWaalsContact CB-CZ3 3.47Å; K617-W711 HydrophobicContact CD-CE3 4.34Å; K617-W711 HydrophobicContact CG-CE3 4.19Å; K617-W711 HydrophobicContact CG-CH2 4.47Å; K617-W711 HydrophobicContact CG-CZ3 4.13Å; L709-W711 WeakPolarHBondContact CB-O 3.36Å; L709-W711 CarbonylContact O-C 3.45Å; L709-W711 PolarHBondContact O-N 2.79Å; W711-Q834 PolarHBondContact NE1-O 2.91Å; W711-Y836 HydrophobicContact CB-CD2 4.35Å; W711-Y836 HydrophobicContact CB-CG 4.36Å; W711-Y836 HydrophobicContact CD2-CD2 4.13Å; W711-Y836 HydrophobicContact CE3-CD2 4.1Å; W711-Y836 HydrophobicContact CG-CD2 4.24Å; W711-Y836 HydrophobicContact CG-CG 4.37Å |
| 712 | P | 89.5 | Confident | 89.3 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | trans | -68.3 | 140 | -170.8 | 27.5 | -35.7 | 0 | 0 | 0 | 111.7 | E707 L714 | E707-P712 WeakPolarHBondContact O-CB 3.46Å; P712-L714 HydrophobicContact CB-CD2 4.11Å; P712-L714 HydrophobicContact CG-CD2 4.13Å; P712-L714 PolarHBondContact O-N 2.77Å | ||
| 713 | E | 90.2 | Very high | 89.9 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | trans | -82.2 | 109.2 | 167.2 | -65.7 | -166.5 | 161.9 | 0 | 0 | 109.8 | G678 D679 R680 G706 L709 M835 W839 | G678-E713 WeakPolarHBondContact CA-OE2 3.32Å; D679-E713 WeakPolarHBondContact CA-OE1 3.49Å; D679-E713 PolarHBondContact N-OE1 2.87Å; D679-E713 VanDerWaalsContact N-OE1 3.12Å; D679-E713 PolarHBondContact N-OE2 2.82Å; R680-E713 PolarHBondContact N-OE1 3.21Å; G706-E713 PolarHBondContact O-N 2.79Å; L709-E713 HydrophobicContact CD1-CG 4.41Å; E713-M835 HydrophobicContact CB-CE 3.86Å; E713-M835 HydrophobicContact CG-CE 3.83Å; E713-W839 PolarHBondContact OE1-NE1 3Å | ||
| 714 | L | 89.9 | Confident | 90.5 | Very high | 71 Ų | 71 | 42 Ų | 42 | 37% | 0.372 | 21% | 0.209 | S | C | . | . | trans | -92.9 | -17.5 | -172.5 | -59.5 | 178 | 0 | 0 | 0 | 114.2 | P712 L831 Q834 M835 | P712-L714 HydrophobicContact CB-CD2 4.11Å; P712-L714 HydrophobicContact CG-CD2 4.13Å; P712-L714 PolarHBondContact O-N 2.77Å; L714-L831 HydrophobicContact CB-CD2 4.27Å; L714-L831 HydrophobicContact CD1-CD2 4.4Å; L714-Q834 HydrophobicContact CD1-CB 3.82Å; L714-M835 HydrophobicContact CB-SD 4.47Å; L714-M835 PolarHBondContact N-SD 2.92Å; L714-M835 VanDerWaalsContact N-SD 3.44Å | ||
| 715 | I | 92.4 | Very high | 91.2 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -90.5 | 148.3 | -179 | 63.9 | 172.6 | 0 | 0 | 0 | 110.7 | F717 L831 L832 M835 W839 | I715-F717 VanDerWaalsContact C-N 3.34Å; I715-F717 WeakPolarHBondContact CD1-O 3.48Å; I715-F717 PolarHBondContact O-N 2.83Å; I715-L831 HydrophobicContact CG2-CB 3.73Å; I715-L832 HydrophobicContact CD1-CD2 3.93Å; I715-L832 HydrophobicContact CG2-CD2 4.3Å; I715-M835 HydrophobicContact CD1-CE 4.23Å; I715-M835 HydrophobicContact CG1-CE 3.9Å; I715-M835 HydrophobicContact CG1-SD 4.06Å; I715-M835 HydrophobicContact CG2-SD 4.34Å; I715-W839 HydrophobicContact CD1-CH2 3.18Å; I715-W839 HydrophobicContact CD1-CZ2 3.42Å; I715-W839 VanDerWaalsContact CD1-CZ2 3.42Å; I715-W839 HydrophobicContact CD1-CZ3 3.95Å; I715-W839 HydrophobicContact CG1-CH2 4.45Å; I715-W839 HydrophobicContact CG1-CZ2 4.36Å |
| 716 | P | 92.4 | Very high | 91.8 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -71.6 | -27 | -175.1 | 27.3 | -35.5 | 0 | 0 | 0 | 114 | F673 L822 Q825 A826 | F673-P716 HydrophobicContact CD2-CB 3.73Å; F673-P716 HydrophobicContact CE2-CB 4.32Å; P716-L822 HydrophobicContact CB-CD2 3.94Å; P716-L822 HydrophobicContact CG-CD2 4.16Å; P716-Q825 HydrophobicContact CG-CB 4.15Å; P716-A826 HydrophobicContact CG-CB 4.1Å |
| 717 | F | 95.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -164.2 | 165.3 | 175 | 53.5 | -94.7 | 0 | 0 | 0 | 109.5 | S669 M670 F673 I715 L719 F736 L822 A826 | S669-F717 VanDerWaalsContact OG-CD2 3.31Å; S669-F717 WeakPolarHBondContact OG-CD2 3.18Å; M670-F717 HydrophobicContact CE-CD1 4.16Å; M670-F717 HydrophobicContact CE-CE1 3.42Å; M670-F717 VanDerWaalsContact CE-CE1 3.42Å; M670-F717 HydrophobicContact CE-CZ 3.78Å; F673-F717 HydrophobicContact CB-CD1 4.45Å; I715-F717 VanDerWaalsContact C-N 3.34Å; I715-F717 WeakPolarHBondContact CD1-O 3.48Å; I715-F717 PolarHBondContact O-N 2.83Å; F717-L719 HydrophobicContact CD2-CB 4.02Å; F717-L719 HydrophobicContact CE2-CB 3.78Å; F717-L719 HydrophobicContact CE2-CD2 3.85Å; F717-L719 HydrophobicContact CE2-CG 4.35Å; F717-L719 HydrophobicContact CZ-CD2 4.47Å; F717-L719 PolarHBondContact O-N 2.87Å; F717-F736 HydrophobicContact CE2-CZ 4.16Å; F717-L822 HydrophobicContact CE1-CB 4.07Å; F717-A826 HydrophobicContact CD2-CB 4.08Å; F717-A826 HydrophobicContact CE1-CB 4.33Å; F717-A826 HydrophobicContact CE2-CB 3.71Å; F717-A826 HydrophobicContact CZ-CB 3.84Å |
| 718 | R | 96.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | trans | -71.3 | 115.9 | 177.6 | -174.3 | 162.3 | -168 | 121.3 | 4.3 | 111.6 | R680 I685 T720 M723 W839 A840 I843 | R680-R718 HydrophobicContact CB-CB 4.31Å; R680-R718 VanDerWaalsContact O-CD 3.29Å; R680-R718 WeakPolarHBondContact O-CD 3.4Å; R680-R718 PolarHBondContact O-NH1 2.93Å; I685-R718 HydrophobicContact CD1-CB 3.81Å; I685-R718 HydrophobicContact CD1-CG 4.09Å; R718-T720 HydrophobicContact CG-CG2 4.29Å; R718-M723 HydrophobicContact CB-SD 4.49Å; R718-M723 HydrophobicContact CG-SD 3.71Å; R718-W839 HydrophobicContact CB-CH2 4.03Å; R718-W839 HydrophobicContact CB-CZ2 3.6Å; R718-W839 HydrophobicContact CG-CH2 3.61Å; R718-W839 HydrophobicContact CG-CZ2 3.57Å; R718-W839 PolarHBondContact NH1-O 3.11Å; R718-W839 PolarHBondContact NH2-O 2.9Å; R718-A840 PolarHBondContact NH2-O 3.44Å; R718-I843 PolarHBondContact NH2-OXT 3.4Å | ||
| 719 | L | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -147.7 | 81.6 | 171.2 | -172.7 | 61.6 | 0 | 0 | 0 | 110.1 | F717 M723 V724 M727 F736 I823 A826 T827 | F717-L719 HydrophobicContact CD2-CB 4.02Å; F717-L719 HydrophobicContact CE2-CB 3.78Å; F717-L719 HydrophobicContact CE2-CD2 3.85Å; F717-L719 HydrophobicContact CE2-CG 4.35Å; F717-L719 HydrophobicContact CZ-CD2 4.47Å; F717-L719 PolarHBondContact O-N 2.87Å; L719-M723 HydrophobicContact CD1-CB 4.32Å; L719-V724 HydrophobicContact CD1-CG2 3.82Å; L719-V724 HydrophobicContact CD2-CG2 4.46Å; L719-V724 HydrophobicContact CG-CG2 3.81Å; L719-M727 HydrophobicContact CD1-CE 3.65Å; L719-F736 HydrophobicContact CD1-CZ 4.21Å; L719-F736 HydrophobicContact CD2-CE1 4.03Å; L719-F736 HydrophobicContact CD2-CZ 4.25Å; L719-I823 HydrophobicContact CD2-CG2 4.4Å; L719-A826 HydrophobicContact CB-CB 3.81Å; L719-A826 HydrophobicContact CD2-CB 4.24Å; L719-T827 HydrophobicContact CD2-CG2 3.69Å; L719-T827 HydrophobicContact CG-CG2 3.93Å | ||
| 720 | T | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -89.7 | 168.9 | -178.3 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | R718 N722 M723 V724 W839 I843 | R718-T720 HydrophobicContact CG-CG2 4.29Å; T720-N722 PolarHBondContact O-N 2.79Å; T720-M723 PolarHBondContact O-N 3.44Å; T720-V724 WeakPolarHBondContact O-CG2 3.39Å; T720-V724 PolarHBondContact O-N 3.48Å; T720-W839 HydrophobicContact CG2-CH2 3.97Å; T720-W839 HydrophobicContact CG2-CZ3 3.93Å; T720-I843 VanDerWaalsContact CB-O 3.31Å; T720-I843 WeakPolarHBondContact CB-O 3.46Å; T720-I843 WeakPolarHBondContact CB-OXT 3.42Å; T720-I843 VanDerWaalsContact CG2-OXT 3.23Å; T720-I843 WeakPolarHBondContact CG2-OXT 3.46Å; T720-I843 PolarHBondContact OG1-O 3.47Å; T720-I843 PolarHBondContact OG1-OXT 2.83Å; T720-I843 VanDerWaalsContact OG1-OXT 3.07Å | ||
| 721 | H | 95.3 | Very high | 94 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.3 | -29.8 | -179.4 | 65.7 | -64.9 | 0 | 0 | 0 | 113.1 | L633 H636 Q725 F842 | L633-H721 VanDerWaalsContact CD2-CE1 3.44Å; L633-H721 WeakPolarHBondContact CD2-CE1 3.5Å; H636-H721 PolarHBondContact O-NE2 3.35Å; H721-Q725 WeakPolarHBondContact O-CB 3.44Å; H721-Q725 PolarHBondContact O-N 2.91Å; H721-F842 PolarHBondContact CE1-O 3.33Å |
| 722 | N | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 172 | -79 | -73.8 | 0 | 0 | 0 | 111.9 | M594 Y598 A638 K639 L640 T720 Q725 A726 I843 | M594-N722 HydrophobicContact CE-CB 4.37Å; M594-N722 VanDerWaalsContact CE-CG 3.47Å; M594-N722 WeakPolarHBondContact CE-OD1 3.43Å; Y598-N722 PolarHBondContact OH-ND2 2.83Å; A638-N722 WeakPolarHBondContact CA-OD1 3.49Å; K639-N722 PolarHBondContact N-OD1 3.45Å; L640-N722 HydrophobicContact CB-CB 3.97Å; L640-N722 PolarHBondContact N-OD1 3.14Å; T720-N722 PolarHBondContact O-N 2.79Å; N722-Q725 PolarHBondContact O-N 3.39Å; N722-A726 WeakPolarHBondContact O-CB 3.29Å; N722-A726 PolarHBondContact O-N 3.35Å; N722-I843 WeakPolarHBondContact CB-O 3.35Å; N722-I843 PolarHBondContact ND2-O 2.9Å |
| 723 | M | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 179.8 | -65.5 | -178.4 | 67.7 | 0 | 0 | 111.2 | L590 L640 F661 C665 R718 L719 T720 A726 M727 | L590-M723 HydrophobicContact CD2-SD 4.43Å; L640-M723 HydrophobicContact CD2-CG 4.43Å; F661-M723 HydrophobicContact CZ-CB 4.37Å; F661-M723 HydrophobicContact CZ-CE 4.41Å; F661-M723 HydrophobicContact CZ-CG 4.46Å; C665-M723 WeakPolarHBondContact SG-CE 3.43Å; R718-M723 HydrophobicContact CB-SD 4.49Å; R718-M723 HydrophobicContact CG-SD 3.71Å; L719-M723 HydrophobicContact CD1-CB 4.32Å; T720-M723 PolarHBondContact O-N 3.44Å; M723-A726 PolarHBondContact O-N 3.45Å; M723-M727 WeakPolarHBondContact O-CG 3.38Å; M723-M727 PolarHBondContact O-N 2.93Å |
| 724 | V | 97.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 177.6 | 177.5 | 0 | 0 | 0 | 0 | 111 | L719 T720 A726 M727 T827 | L719-V724 HydrophobicContact CD1-CG2 3.82Å; L719-V724 HydrophobicContact CD2-CG2 4.46Å; L719-V724 HydrophobicContact CG-CG2 3.81Å; T720-V724 WeakPolarHBondContact O-CG2 3.39Å; T720-V724 PolarHBondContact O-N 3.48Å; V724-A726 VanDerWaalsContact C-N 3.31Å; V724-A726 PolarHBondContact O-N 3.04Å; V724-M727 WeakPolarHBondContact O-CB 3.42Å; V724-M727 PolarHBondContact O-N 3.4Å; V724-T827 HydrophobicContact CG2-CG2 4.21Å |
| 725 | Q | 96.1 | Very high | 94.9 | Very high | 72 Ų | 72 | 33.8 Ų | 33.8 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -32.7 | -179.6 | -174.2 | -99.8 | -0.6 | 0 | 0 | 112.7 | A638 G641 H721 N722 M727 G728 | A638-Q725 HydrophobicContact CB-CB 3.64Å; A638-Q725 HydrophobicContact CB-CG 3.77Å; G641-Q725 VanDerWaalsContact N-OE1 3.13Å; H721-Q725 WeakPolarHBondContact O-CB 3.44Å; H721-Q725 PolarHBondContact O-N 2.91Å; N722-Q725 PolarHBondContact O-N 3.39Å; Q725-M727 PolarHBondContact O-N 3.03Å; Q725-G728 PolarHBondContact O-N 3.24Å; Q725-G728 VanDerWaalsContact O-N 3.17Å |
| 726 | A | 96.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -25.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L640 F644 R658 F661 N722 M723 V724 G728 | L640-A726 HydrophobicContact CB-CB 3.95Å; L640-A726 HydrophobicContact CD2-CB 3.67Å; L640-A726 HydrophobicContact CG-CB 3.68Å; F644-A726 HydrophobicContact CD2-CB 4.26Å; F644-A726 HydrophobicContact CE2-CB 4.16Å; R658-A726 WeakPolarHBondContact CD-O 3.39Å; R658-A726 VanDerWaalsContact CG-O 3.25Å; R658-A726 WeakPolarHBondContact CG-O 3.46Å; F661-A726 HydrophobicContact CD1-CB 4.47Å; F661-A726 HydrophobicContact CE1-CB 3.87Å; F661-A726 HydrophobicContact CZ-CB 4.36Å; N722-A726 WeakPolarHBondContact O-CB 3.29Å; N722-A726 PolarHBondContact O-N 3.35Å; M723-A726 PolarHBondContact O-N 3.45Å; V724-A726 VanDerWaalsContact C-N 3.31Å; V724-A726 PolarHBondContact O-N 3.04Å; A726-G728 PolarHBondContact O-N 3.16Å |
| 727 | M | 96.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.3 | 175.8 | -61.9 | 170.3 | -172.8 | 0 | 0 | 112.7 | F661 T662 L719 M723 V724 Q725 F736 | F661-M727 HydrophobicContact CE1-CE 4.48Å; F661-M727 HydrophobicContact CE1-CG 4.14Å; T662-M727 HydrophobicContact CG2-CB 4.38Å; T662-M727 HydrophobicContact CG2-CG 4.04Å; T662-M727 HydrophobicContact CG2-SD 4.38Å; L719-M727 HydrophobicContact CD1-CE 3.65Å; M723-M727 WeakPolarHBondContact O-CG 3.38Å; M723-M727 PolarHBondContact O-N 2.93Å; V724-M727 WeakPolarHBondContact O-CB 3.42Å; V724-M727 PolarHBondContact O-N 3.4Å; Q725-M727 PolarHBondContact O-N 3.03Å; M727-F736 HydrophobicContact CE-CB 4.49Å; M727-F736 HydrophobicContact CE-CD2 3.33Å; M727-F736 HydrophobicContact CE-CE2 3.59Å; M727-F736 HydrophobicContact CE-CG 3.92Å; M727-F736 HydrophobicContact CE-CZ 4.37Å; M727-F736 HydrophobicContact SD-CB 3.72Å; M727-F736 HydrophobicContact SD-CD2 3.73Å; M727-F736 HydrophobicContact SD-CE2 4.5Å; M727-F736 HydrophobicContact SD-CG 3.73Å |
| 728 | G | 93.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | trans | 107.5 | -167.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q725 A726 L730 G731 | Q725-G728 PolarHBondContact O-N 3.24Å; Q725-G728 VanDerWaalsContact O-N 3.17Å; A726-G728 PolarHBondContact O-N 3.16Å; G728-L730 VanDerWaalsContact C-N 3.27Å; G728-L730 PolarHBondContact O-N 3.2Å; G728-G731 PolarHBondContact O-N 3.4Å | ||
| 729 | P | 93.1 | Very high | 95.4 | Very high | 129 Ų | 129 | 36.8 Ų | 36.8 | 84% | 0.838 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -28.6 | -170 | 24.8 | -34 | 0 | 0 | 0 | 113.7 | G731 | P729-G731 VanDerWaalsContact C-N 3.29Š|
| 730 | L | 94.4 | Very high | 95.5 | Very high | 125 Ų | 125 | 36.8 Ų | 36.8 | 65% | 0.654 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -11.7 | 176.4 | -60 | 177.7 | 0 | 0 | 0 | 112.9 | G728 C732 E733 | G728-L730 VanDerWaalsContact C-N 3.27Å; G728-L730 PolarHBondContact O-N 3.2Å; L730-C732 PolarHBondContact O-N 3.43Å; L730-E733 PolarHBondContact O-N 2.7Å |
| 731 | G | 93.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -122.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G728 P729 | G728-G731 PolarHBondContact O-N 3.4Å; P729-G731 VanDerWaalsContact C-N 3.29Å |
| 732 | C | 94.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -74.3 | -27.7 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | L730 G734 F736 R737 I823 | L730-C732 PolarHBondContact O-N 3.43Å; C732-G734 PolarHBondContact O-N 2.94Å; C732-F736 HydrophobicContact CB-CD1 4.19Å; C732-R737 WeakPolarHBondContact O-CB 3.36Å; C732-R737 PolarHBondContact O-N 2.8Å; C732-I823 HydrophobicContact CB-CG2 3.97Å |
| 733 | E | 94 | Very high | 95.6 | Very high | 115 Ų | 115 | 35.2 Ų | 35.2 | 54% | 0.537 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -80.9 | 39.9 | -173.2 | -59.8 | -56.3 | 147.4 | 0 | 0 | 113.1 | L730 R737 | L730-E733 PolarHBondContact O-N 2.7Å; E733-R737 IonicContact OE1-CZ 3.97Å; E733-R737 IonicContact OE1-NE 2.66Å; E733-R737 IonicContact OE1-NH2 3.22Å; E733-R737 PolarHBondContact OE1-NH2 3.38Å; E733-R737 IonicContact OE2-CZ 3.25Å; E733-R737 IonicContact OE2-NE 3.6Å; E733-R737 PolarHBondContact OE2-NE 2.97Å; E733-R737 IonicContact OE2-NH2 2.69Å; E733-R737 PolarHBondContact OE2-NH2 2.89Å |
| 734 | G | 92.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 22% | 0.216 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -149.5 | -127.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C732 F736 R737 K738 | C732-G734 PolarHBondContact O-N 2.94Å; G734-F736 PolarHBondContact O-N 3.15Å; G734-R737 PolarHBondContact O-N 2.61Å; G734-K738 PolarHBondContact O-N 3.22Å |
| 735 | S | 94 | Very high | 95.5 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -58.2 | -32.6 | -179 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | C739 | S735-C739 VanDerWaalsContact O-CB 3.29Å; S735-C739 WeakPolarHBondContact O-CB 3.42Å; S735-C739 PolarHBondContact O-N 3Å; S735-C739 PolarHBondContact O-SG 2.75Å |
| 736 | F | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -61.8 | -59.8 | 179.7 | -174.9 | -97.4 | 0 | 0 | 0 | 111.6 | T662 C665 A666 F717 L719 M727 C732 G734 K738 C739 C740 I823 | T662-F736 HydrophobicContact CG2-CB 3.75Å; T662-F736 HydrophobicContact CG2-CD2 4.35Å; C665-F736 HydrophobicContact CB-CE2 4.25Å; A666-F736 VanDerWaalsContact CA-CE2 3.46Å; A666-F736 HydrophobicContact CB-CD2 3.66Å; A666-F736 HydrophobicContact CB-CE2 3.8Å; A666-F736 HydrophobicContact CB-CG 4.32Å; F717-F736 HydrophobicContact CE2-CZ 4.16Å; L719-F736 HydrophobicContact CD1-CZ 4.21Å; L719-F736 HydrophobicContact CD2-CE1 4.03Å; L719-F736 HydrophobicContact CD2-CZ 4.25Å; M727-F736 HydrophobicContact CE-CB 4.49Å; M727-F736 HydrophobicContact CE-CD2 3.33Å; M727-F736 HydrophobicContact CE-CE2 3.59Å; M727-F736 HydrophobicContact CE-CG 3.92Å; M727-F736 HydrophobicContact CE-CZ 4.37Å; M727-F736 HydrophobicContact SD-CB 3.72Å; M727-F736 HydrophobicContact SD-CD2 3.73Å; M727-F736 HydrophobicContact SD-CE2 4.5Å; M727-F736 HydrophobicContact SD-CG 3.73Å; C732-F736 HydrophobicContact CB-CD1 4.19Å; G734-F736 PolarHBondContact O-N 3.15Å; F736-K738 VanDerWaalsContact C-N 3.29Å; F736-K738 PolarHBondContact O-N 3.42Å; F736-C739 PolarHBondContact O-N 2.96Å; F736-C739 VanDerWaalsContact O-N 3.15Å; F736-C740 PolarHBondContact O-N 2.84Å; F736-C740 PolarHBondContact O-SG 2.76Å; F736-C740 VanDerWaalsContact O-SG 3.36Å; F736-I823 HydrophobicContact CD1-CD1 4.14Å; F736-I823 HydrophobicContact CE1-CD1 4.1Å; F736-I823 HydrophobicContact CE1-CG1 4.08Å |
| 737 | R | 97.5 | Very high | 95.2 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 18% | 0.177 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53 | -46.8 | 176.9 | 175.5 | -179.6 | -68 | -81.5 | 1.7 | 111.6 | C732 E733 G734 C739 C740 E741 V819 I823 | C732-R737 WeakPolarHBondContact O-CB 3.36Å; C732-R737 PolarHBondContact O-N 2.8Å; E733-R737 IonicContact OE1-CZ 3.97Å; E733-R737 IonicContact OE1-NE 2.66Å; E733-R737 IonicContact OE1-NH2 3.22Å; E733-R737 PolarHBondContact OE1-NH2 3.38Å; E733-R737 IonicContact OE2-CZ 3.25Å; E733-R737 IonicContact OE2-NE 3.6Å; E733-R737 PolarHBondContact OE2-NE 2.97Å; E733-R737 IonicContact OE2-NH2 2.69Å; E733-R737 PolarHBondContact OE2-NH2 2.89Å; G734-R737 PolarHBondContact O-N 2.61Å; R737-C739 VanDerWaalsContact C-N 3.34Å; R737-C739 PolarHBondContact O-N 3.36Å; R737-C740 WeakPolarHBondContact O-CB 3.42Å; R737-C740 PolarHBondContact O-N 2.73Å; R737-C740 VanDerWaalsContact O-N 3.14Å; R737-E741 WeakPolarHBondContact CG-OE1 3.03Å; R737-E741 WeakPolarHBondContact O-CG 3.46Å; R737-E741 PolarHBondContact O-N 3.22Å; R737-V819 HydrophobicContact CG-CG1 4.34Å; R737-I823 HydrophobicContact CB-CD1 4.29Å |
| 738 | K | 96.1 | Very high | 95 | Very high | 75 Ų | 75 | 35.6 Ų | 35.6 | 33% | 0.326 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.4 | -40.4 | -178.3 | -169.6 | 57.4 | 175.5 | -177.8 | 0 | 112.7 | G734 F736 E741 L742 | G734-K738 PolarHBondContact O-N 3.22Å; F736-K738 VanDerWaalsContact C-N 3.29Å; F736-K738 PolarHBondContact O-N 3.42Å; K738-E741 WeakPolarHBondContact CD-OE2 3.01Å; K738-E741 IonicContact NZ-OE2 2.88Å; K738-E741 PolarHBondContact NZ-OE2 2.89Å; K738-E741 PolarHBondContact O-N 3.4Å; K738-L742 HydrophobicContact CG-CD1 4.45Å; K738-L742 WeakPolarHBondContact O-CG 3.15Å; K738-L742 PolarHBondContact O-N 2.83Å; K738-L742 VanDerWaalsContact O-N 3.09Å |
| 739 | C | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.3 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | M564 A666 S735 F736 R737 E741 L742 T743 | M564-C739 HydrophobicContact CE-CB 3.78Å; M564-C739 WeakPolarHBondContact CE-O 3.05Å; M564-C739 HydrophobicContact SD-CB 4.24Å; A666-C739 HydrophobicContact CB-CB 3.49Å; A666-C739 VanDerWaalsContact CB-CB 3.49Å; S735-C739 VanDerWaalsContact O-CB 3.29Å; S735-C739 WeakPolarHBondContact O-CB 3.42Å; S735-C739 PolarHBondContact O-N 3Å; S735-C739 PolarHBondContact O-SG 2.75Å; F736-C739 PolarHBondContact O-N 2.96Å; F736-C739 VanDerWaalsContact O-N 3.15Å; R737-C739 VanDerWaalsContact C-N 3.34Å; R737-C739 PolarHBondContact O-N 3.36Å; C739-E741 PolarHBondContact O-N 3.01Å; C739-L742 PolarHBondContact O-N 3.09Å; C739-T743 WeakPolarHBondContact O-CB 3.43Å; C739-T743 PolarHBondContact O-N 2.96Å; C739-T743 PolarHBondContact O-OG1 3.27Å; C739-T743 VanDerWaalsContact O-OG1 3.06Å |
| 740 | C | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.7 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | M670 F736 R737 T743 M744 V819 | M670-C740 HydrophobicContact CE-CB 4.32Å; M670-C740 HydrophobicContact CG-CB 3.82Å; M670-C740 HydrophobicContact SD-CB 3.83Å; F736-C740 PolarHBondContact O-N 2.84Å; F736-C740 PolarHBondContact O-SG 2.76Å; F736-C740 VanDerWaalsContact O-SG 3.36Å; R737-C740 WeakPolarHBondContact O-CB 3.42Å; R737-C740 PolarHBondContact O-N 2.73Å; R737-C740 VanDerWaalsContact O-N 3.14Å; C740-T743 PolarHBondContact O-N 3.43Å; C740-M744 WeakPolarHBondContact O-CB 3.46Å; C740-M744 WeakPolarHBondContact O-CG 3.43Å; C740-M744 PolarHBondContact O-N 2.86Å; C740-V819 HydrophobicContact CB-CG1 3.61Å; C740-V819 HydrophobicContact CB-CG2 4.08Å |
| 741 | E | 97.2 | Very high | 94 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 176.4 | -71.9 | 168.2 | -169.6 | 0 | 0 | 112.1 | R737 K738 C739 M744 R745 I815 E816 V819 | R737-E741 WeakPolarHBondContact CG-OE1 3.03Å; R737-E741 WeakPolarHBondContact O-CG 3.46Å; R737-E741 PolarHBondContact O-N 3.22Å; K738-E741 WeakPolarHBondContact CD-OE2 3.01Å; K738-E741 IonicContact NZ-OE2 2.88Å; K738-E741 PolarHBondContact NZ-OE2 2.89Å; K738-E741 PolarHBondContact O-N 3.4Å; C739-E741 PolarHBondContact O-N 3.01Å; E741-M744 PolarHBondContact O-N 3.46Å; E741-R745 VanDerWaalsContact O-CB 3.29Å; E741-R745 WeakPolarHBondContact O-CB 3.44Å; E741-R745 PolarHBondContact O-N 3.34Å; E741-I815 HydrophobicContact CB-CG2 4.4Å; E741-I815 WeakPolarHBondContact O-CG2 3.27Å; E741-E816 HydrophobicContact CG-CG 4.34Å; E741-V819 HydrophobicContact CG-CB 4.49Å; E741-V819 HydrophobicContact CG-CG1 4.45Å; E741-V819 HydrophobicContact CG-CG2 4.37Å |
| 742 | L | 96.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.6 | -74.4 | 171.7 | 0 | 0 | 0 | 111.6 | E558 M564 K738 C739 L746 | E558-L742 HydrophobicContact CB-CD1 4.32Å; E558-L742 HydrophobicContact CB-CD2 4.04Å; M564-L742 HydrophobicContact CE-CB 4.22Å; M564-L742 HydrophobicContact SD-CB 4.39Å; M564-L742 HydrophobicContact SD-CD1 4.06Å; K738-L742 HydrophobicContact CG-CD1 4.45Å; K738-L742 WeakPolarHBondContact O-CG 3.15Å; K738-L742 PolarHBondContact O-N 2.83Å; K738-L742 VanDerWaalsContact O-N 3.09Å; C739-L742 PolarHBondContact O-N 3.09Å; L742-L746 WeakPolarHBondContact O-CB 3.19Å; L742-L746 PolarHBondContact O-N 3.41Å; L742-L746 VanDerWaalsContact O-N 3.07Å |
| 743 | T | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 176.7 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | M564 V667 M670 C739 C740 R745 L746 L747 | M564-T743 WeakPolarHBondContact CE-OG1 3.35Å; V667-T743 HydrophobicContact CG1-CG2 4.21Å; M670-T743 HydrophobicContact CB-CG2 3.78Å; M670-T743 HydrophobicContact CG-CG2 4.44Å; C739-T743 WeakPolarHBondContact O-CB 3.43Å; C739-T743 PolarHBondContact O-N 2.96Å; C739-T743 PolarHBondContact O-OG1 3.27Å; C739-T743 VanDerWaalsContact O-OG1 3.06Å; C740-T743 PolarHBondContact O-N 3.43Å; T743-R745 PolarHBondContact O-N 3.01Å; T743-L746 PolarHBondContact O-N 2.93Å; T743-L747 HydrophobicContact CG2-CD1 3.93Å; T743-L747 HydrophobicContact CG2-CG 4.22Å; T743-L747 VanDerWaalsContact O-CG 3.27Å; T743-L747 WeakPolarHBondContact O-CG 3.5Å; T743-L747 PolarHBondContact O-N 3.25Å |
| 744 | M | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 179.2 | -77.5 | -57.2 | -63.7 | 0 | 0 | 112.1 | M670 V674 C740 E741 L746 L747 R748 I815 V819 | M670-M744 HydrophobicContact CB-CG 4.12Å; M670-M744 HydrophobicContact CB-SD 3.91Å; M670-M744 HydrophobicContact CG-CG 3.82Å; M670-M744 HydrophobicContact CG-SD 4.23Å; M670-M744 HydrophobicContact SD-CG 3.46Å; M670-M744 WeakPolarHBondContact SD-CG 3.46Å; M670-M744 HydrophobicContact SD-SD 3.95Å; V674-M744 HydrophobicContact CG2-CE 4.35Å; V674-M744 HydrophobicContact CG2-SD 4.13Å; C740-M744 WeakPolarHBondContact O-CB 3.46Å; C740-M744 WeakPolarHBondContact O-CG 3.43Å; C740-M744 PolarHBondContact O-N 2.86Å; E741-M744 PolarHBondContact O-N 3.46Å; M744-L746 VanDerWaalsContact C-N 3.29Å; M744-L746 PolarHBondContact O-N 2.88Å; M744-L747 PolarHBondContact O-N 2.84Å; M744-L747 HydrophobicContact SD-CD1 4.23Å; M744-R748 VanDerWaalsContact O-CG 3.28Å; M744-R748 WeakPolarHBondContact O-CG 3.38Å; M744-R748 PolarHBondContact O-N 3.07Å; M744-I815 HydrophobicContact CB-CG2 3.91Å; M744-V819 HydrophobicContact CB-CG2 4.27Å; M744-V819 HydrophobicContact CG-CG2 3.93Å |
| 745 | R | 95 | Very high | 91.4 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 25% | 0.249 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.7 | -50.9 | 174.2 | -174.1 | 177.4 | -59.6 | 134 | 6 | 111.1 | E741 T743 L747 R748 E749 I815 E816 | E741-R745 VanDerWaalsContact O-CB 3.29Å; E741-R745 WeakPolarHBondContact O-CB 3.44Å; E741-R745 PolarHBondContact O-N 3.34Å; T743-R745 PolarHBondContact O-N 3.01Å; R745-L747 PolarHBondContact O-N 3.31Å; R745-R748 PolarHBondContact O-N 3.2Å; R745-E749 WeakPolarHBondContact CG-OE1 3.31Å; R745-E749 WeakPolarHBondContact O-CG 3.41Å; R745-E749 PolarHBondContact O-N 3.4Å; R745-I815 HydrophobicContact CB-CD1 3.8Å; R745-I815 HydrophobicContact CG-CD1 3.86Å; R745-E816 IonicContact NH2-OE1 3.83Å |
| 746 | L | 93.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | -179.2 | -176.9 | 147.2 | 0 | 0 | 0 | 112.6 | C552 L553 E556 L742 T743 M744 R748 E749 Q750 | C552-L746 VanDerWaalsContact C-CD1 3.49Å; C552-L746 HydrophobicContact CB-CD1 3.71Å; C552-L746 HydrophobicContact CB-CD2 3.26Å; C552-L746 HydrophobicContact CB-CG 3.83Å; C552-L746 WeakPolarHBondContact O-CD1 3.09Å; L553-L746 HydrophobicContact CD2-CD1 4.13Å; L553-L746 HydrophobicContact CG-CD1 4.47Å; E556-L746 HydrophobicContact CB-CD1 4.03Å; L742-L746 WeakPolarHBondContact O-CB 3.19Å; L742-L746 PolarHBondContact O-N 3.41Å; L742-L746 VanDerWaalsContact O-N 3.07Å; T743-L746 PolarHBondContact O-N 2.93Å; M744-L746 VanDerWaalsContact C-N 3.29Å; M744-L746 PolarHBondContact O-N 2.88Å; L746-R748 VanDerWaalsContact C-N 3.35Å; L746-R748 PolarHBondContact O-N 3.1Å; L746-E749 PolarHBondContact O-N 2.81Å; L746-Q750 WeakPolarHBondContact O-CB 3.42Å; L746-Q750 WeakPolarHBondContact O-CG 3.47Å; L746-Q750 PolarHBondContact O-N 2.93Å |
| 747 | L | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 177.3 | -66.2 | 176.4 | 0 | 0 | 0 | 111.5 | V549 V671 V674 T743 M744 R745 R751 L754 L797 | V549-L747 HydrophobicContact CG2-CD2 3.98Å; V671-L747 HydrophobicContact CG2-CD1 4.39Å; V674-L747 HydrophobicContact CG2-CD1 3.97Å; T743-L747 HydrophobicContact CG2-CD1 3.93Å; T743-L747 HydrophobicContact CG2-CG 4.22Å; T743-L747 VanDerWaalsContact O-CG 3.27Å; T743-L747 WeakPolarHBondContact O-CG 3.5Å; T743-L747 PolarHBondContact O-N 3.25Å; M744-L747 PolarHBondContact O-N 2.84Å; M744-L747 HydrophobicContact SD-CD1 4.23Å; R745-L747 PolarHBondContact O-N 3.31Å; L747-R751 PolarHBondContact O-N 2.87Å; L747-L754 HydrophobicContact CB-CD1 4.26Å; L747-L754 HydrophobicContact CD2-CD1 3.5Å; L747-L754 VanDerWaalsContact CD2-CD1 3.5Å; L747-L754 HydrophobicContact CG-CD1 4.48Å; L747-L797 HydrophobicContact CB-CD2 3.8Å |
| 748 | R | 91.5 | Very high | 88.4 | Confident | 58 Ų | 58 | 33.6 Ų | 33.6 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.7 | -43 | 176.7 | -63.5 | -173.7 | 82.5 | 179.5 | -2.2 | 111.8 | M744 R745 L746 R751 L797 K798 L813 | M744-R748 VanDerWaalsContact O-CG 3.28Å; M744-R748 WeakPolarHBondContact O-CG 3.38Å; M744-R748 PolarHBondContact O-N 3.07Å; R745-R748 PolarHBondContact O-N 3.2Å; L746-R748 VanDerWaalsContact C-N 3.35Å; L746-R748 PolarHBondContact O-N 3.1Å; R748-R751 WeakPolarHBondContact O-CB 3.44Å; R748-L797 WeakPolarHBondContact CG-O 3.02Å; R748-L797 PolarHBondContact NE-O 3.07Å; R748-K798 PolarHBondContact NH2-O 2.95Å; R748-L813 PolarHBondContact NH1-O 3.36Å; R748-L813 PolarHBondContact NH2-O 2.94Å |
| 749 | E | 88.8 | Confident | 87.3 | Confident | 116 Ų | 116 | 30.5 Ų | 30.5 | 54% | 0.542 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64 | -40.3 | 178.2 | -75.3 | 175.9 | -170.1 | 0 | 0 | 112.3 | R745 L746 | R745-E749 WeakPolarHBondContact CG-OE1 3.31Å; R745-E749 WeakPolarHBondContact O-CG 3.41Å; R745-E749 PolarHBondContact O-N 3.4Å; L746-E749 PolarHBondContact O-N 2.81Å |
| 750 | Q | 86.6 | Confident | 85.9 | Confident | 58 Ų | 58 | 30.8 Ų | 30.8 | 27% | 0.271 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 20.1 | -176.8 | -58.3 | -59.2 | -41.6 | 0 | 0 | 113.7 | L746 S752 M753 L754 | L746-Q750 WeakPolarHBondContact O-CB 3.42Å; L746-Q750 WeakPolarHBondContact O-CG 3.47Å; L746-Q750 PolarHBondContact O-N 2.93Å; Q750-S752 VanDerWaalsContact C-N 3.3Å; Q750-S752 PolarHBondContact O-N 2.81Å; Q750-M753 HydrophobicContact CB-CE 4.1Å; Q750-M753 HydrophobicContact CG-CE 4.49Å; Q750-M753 WeakPolarHBondContact O-CB 3.49Å; Q750-M753 PolarHBondContact O-N 2.77Å; Q750-M753 VanDerWaalsContact O-N 3.09Å; Q750-L754 WeakPolarHBondContact O-CG 3.43Å; Q750-L754 PolarHBondContact O-N 3.35Å |
| 751 | R | 85.7 | Confident | 84.4 | Confident | 134 Ų | 134 | 31.1 Ų | 31.1 | 51% | 0.506 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -53.3 | -39.8 | -173.6 | 68.6 | -176.7 | -175.5 | -175.5 | -1.3 | 114.6 | L747 R748 R755 L797 | L747-R751 PolarHBondContact O-N 2.87Å; R748-R751 WeakPolarHBondContact O-CB 3.44Å; R751-R755 WeakPolarHBondContact O-CB 3.44Å; R751-R755 PolarHBondContact O-N 2.94Å; R751-L797 HydrophobicContact CB-CD1 4.23Å |
| 752 | S | 78.1 | Confident | 82.8 | Confident | 54 Ų | 54 | 30.9 Ų | 30.9 | 38% | 0.378 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -68.4 | -39.1 | -178.4 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | H284 Q750 S756 | H284-S752 PolarHBondContact CD2-OG 2.84Å; H284-S752 VanDerWaalsContact CD2-OG 3.31Å; H284-S752 PolarHBondContact NE2-OG 3.09Å; Q750-S752 VanDerWaalsContact C-N 3.3Å; Q750-S752 PolarHBondContact O-N 2.81Å; S752-S756 PolarHBondContact O-N 2.68Å |
| 753 | M | 79.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.4 | -50.1 | 176.8 | -162 | -177.4 | 63 | 0 | 0 | 110.6 | H283 H284 L548 C552 Q750 R755 S756 | H283-M753 HydrophobicContact CB-CG 4.4Å; H283-M753 HydrophobicContact CB-SD 3.75Å; H283-M753 WeakPolarHBondContact O-CG 2.99Å; H284-M753 HydrophobicContact CB-CB 4.35Å; H284-M753 HydrophobicContact CB-CG 3.9Å; H284-M753 HydrophobicContact CB-SD 4.27Å; L548-M753 HydrophobicContact CD1-CE 3.36Å; L548-M753 HydrophobicContact CD1-CG 4.33Å; L548-M753 HydrophobicContact CD1-SD 3.77Å; L548-M753 HydrophobicContact CD2-CE 3.84Å; L548-M753 HydrophobicContact CD2-CG 4.11Å; L548-M753 HydrophobicContact CG-CE 3.54Å; L548-M753 HydrophobicContact CG-SD 4.46Å; C552-M753 WeakPolarHBondContact SG-CE 3.35Å; Q750-M753 HydrophobicContact CB-CE 4.1Å; Q750-M753 HydrophobicContact CG-CE 4.49Å; Q750-M753 WeakPolarHBondContact O-CB 3.49Å; Q750-M753 PolarHBondContact O-N 2.77Å; Q750-M753 VanDerWaalsContact O-N 3.09Å; M753-R755 VanDerWaalsContact C-N 3.34Å; M753-R755 PolarHBondContact O-N 3.2Å; M753-S756 PolarHBondContact O-N 3.07Å; M753-S756 PolarHBondContact O-OG 2.98Å |
| 754 | L | 82.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 179.7 | -65.6 | 172.1 | 0 | 0 | 0 | 111.6 | F545 L548 V549 L747 Q750 S756 V757 L758 | F545-L754 HydrophobicContact CD2-CD2 4.37Å; F545-L754 HydrophobicContact CE2-CB 3.92Å; F545-L754 HydrophobicContact CE2-CD2 3.75Å; F545-L754 HydrophobicContact CE2-CG 4.32Å; F545-L754 HydrophobicContact CZ-CB 4.43Å; F545-L754 HydrophobicContact CZ-CD1 4.48Å; F545-L754 HydrophobicContact CZ-CD2 3.89Å; F545-L754 HydrophobicContact CZ-CG 4.49Å; L548-L754 HydrophobicContact CD2-CD2 3.9Å; L548-L754 HydrophobicContact CG-CD2 4.1Å; V549-L754 HydrophobicContact CG2-CD2 4.02Å; L747-L754 HydrophobicContact CB-CD1 4.26Å; L747-L754 HydrophobicContact CD2-CD1 3.5Å; L747-L754 VanDerWaalsContact CD2-CD1 3.5Å; L747-L754 HydrophobicContact CG-CD1 4.48Å; Q750-L754 WeakPolarHBondContact O-CG 3.43Å; Q750-L754 PolarHBondContact O-N 3.35Å; L754-S756 VanDerWaalsContact C-N 3.29Å; L754-S756 PolarHBondContact O-N 3.48Å; L754-V757 PolarHBondContact O-N 2.75Å; L754-L758 WeakPolarHBondContact O-CG 3.38Å; L754-L758 PolarHBondContact O-N 3.21Å; L754-L758 VanDerWaalsContact O-N 3.17Å |
| 755 | R | 80.3 | Confident | 77.4 | Confident | 82 Ų | 82 | 36.3 Ų | 36.3 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.2 | -42.9 | 174 | 176.3 | 178.7 | 171.6 | 166.4 | -2.4 | 112.2 | R751 M753 V757 L758 E759 E794 | R751-R755 WeakPolarHBondContact O-CB 3.44Å; R751-R755 PolarHBondContact O-N 2.94Å; M753-R755 VanDerWaalsContact C-N 3.34Å; M753-R755 PolarHBondContact O-N 3.2Å; R755-V757 VanDerWaalsContact C-N 3.29Å; R755-V757 PolarHBondContact O-N 3.42Å; R755-L758 CarbonylContact O-C 3.42Å; R755-L758 PolarHBondContact O-N 3Å; R755-L758 VanDerWaalsContact O-N 3.08Å; R755-E759 HydrophobicContact CG-CG 4.07Å; R755-E759 IonicContact CZ-OE1 3.27Å; R755-E759 VanDerWaalsContact CZ-OE1 3.25Å; R755-E759 IonicContact NE-OE1 2.71Å; R755-E759 PolarHBondContact NE-OE1 3.32Å; R755-E759 IonicContact NH2-OE1 3.9Å; R755-E759 PolarHBondContact NH2-OE1 3.28Å; R755-E759 WeakPolarHBondContact O-CG 3.39Å; R755-E759 PolarHBondContact O-N 3.15Å; R755-E794 WeakPolarHBondContact CD-OE1 3.37Å; R755-E794 IonicContact CZ-OE1 2.82Å; R755-E794 IonicContact NE-OE1 3.21Å; R755-E794 IonicContact NH1-OE1 2.79Å; R755-E794 PolarHBondContact NH1-OE1 3.32Å; R755-E794 IonicContact NH1-OE2 2.68Å |
| 756 | S | 74 | Confident | 75.4 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -34.3 | -177.5 | 71.6 | 0 | 0 | 0 | 0 | 113.5 | P287 S752 M753 L754 | P287-S756 VanDerWaalsContact CB-OG 3.24Å; P287-S756 WeakPolarHBondContact CB-OG 3.45Å; S752-S756 PolarHBondContact O-N 2.68Å; M753-S756 PolarHBondContact O-N 3.07Å; M753-S756 PolarHBondContact O-OG 2.98Å; L754-S756 VanDerWaalsContact C-N 3.29Å; L754-S756 PolarHBondContact O-N 3.48Å |
| 757 | V | 75.5 | Confident | 73.7 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 13% | 0.127 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72 | -41 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | F545 L548 L754 R755 E759 T760 | F545-V757 HydrophobicContact CB-CG1 4.42Å; L548-V757 HydrophobicContact CD2-CB 4.44Å; L548-V757 HydrophobicContact CD2-CG2 3.51Å; L754-V757 PolarHBondContact O-N 2.75Å; R755-V757 VanDerWaalsContact C-N 3.29Å; R755-V757 PolarHBondContact O-N 3.42Å; V757-E759 VanDerWaalsContact C-N 3.34Å; V757-E759 PolarHBondContact O-N 3.14Å; V757-T760 WeakPolarHBondContact O-CB 3.46Å; V757-T760 WeakPolarHBondContact O-CG2 3.33Å; V757-T760 PolarHBondContact O-N 2.94Å; V757-T760 PolarHBondContact O-OG1 3.24Å |
| 758 | L | 75.8 | Confident | 71.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.3 | -31.3 | 178.8 | -62.1 | 176.1 | 0 | 0 | 0 | 112.8 | F545 L675 L754 R755 T760 F761 L790 I793 | F545-L758 HydrophobicContact CD2-CD1 4.47Å; F545-L758 HydrophobicContact CD2-CD2 3.64Å; F545-L758 HydrophobicContact CD2-CG 3.95Å; F545-L758 HydrophobicContact CE2-CD1 3.9Å; F545-L758 HydrophobicContact CE2-CD2 3.89Å; F545-L758 HydrophobicContact CE2-CG 3.87Å; F545-L758 HydrophobicContact CG-CD2 4.45Å; L675-L758 HydrophobicContact CD2-CD1 3.97Å; L675-L758 HydrophobicContact CD2-CD2 3.71Å; L675-L758 HydrophobicContact CD2-CG 4.48Å; L754-L758 WeakPolarHBondContact O-CG 3.38Å; L754-L758 PolarHBondContact O-N 3.21Å; L754-L758 VanDerWaalsContact O-N 3.17Å; R755-L758 CarbonylContact O-C 3.42Å; R755-L758 PolarHBondContact O-N 3Å; R755-L758 VanDerWaalsContact O-N 3.08Å; L758-T760 PolarHBondContact O-N 2.81Å; L758-T760 VanDerWaalsContact O-N 3.16Å; L758-F761 HydrophobicContact CB-CD2 4.44Å; L758-F761 HydrophobicContact CD2-CD2 4.03Å; L758-F761 HydrophobicContact CD2-CE2 3.68Å; L758-F761 VanDerWaalsContact O-CB 3.29Å; L758-F761 WeakPolarHBondContact O-CB 3.25Å; L758-F761 WeakPolarHBondContact O-CD2 3.47Å; L758-F761 PolarHBondContact O-N 3.24Å; L758-L790 HydrophobicContact CB-CD2 3.59Å; L758-I793 HydrophobicContact CD1-CD1 3.9Å; L758-I793 HydrophobicContact CD1-CG2 3.87Å |
| 759 | E | 73 | Confident | 70.1 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -25.2 | 175 | -82.1 | 175.1 | 161.2 | 0 | 0 | 111.9 | T291 R755 V757 F761 L762 Y763 L790 | T291-E759 WeakPolarHBondContact CG2-OE2 3.3Å; R755-E759 HydrophobicContact CG-CG 4.07Å; R755-E759 IonicContact CZ-OE1 3.27Å; R755-E759 VanDerWaalsContact CZ-OE1 3.25Å; R755-E759 IonicContact NE-OE1 2.71Å; R755-E759 PolarHBondContact NE-OE1 3.32Å; R755-E759 IonicContact NH2-OE1 3.9Å; R755-E759 PolarHBondContact NH2-OE1 3.28Å; R755-E759 WeakPolarHBondContact O-CG 3.39Å; R755-E759 PolarHBondContact O-N 3.15Å; V757-E759 VanDerWaalsContact C-N 3.34Å; V757-E759 PolarHBondContact O-N 3.14Å; E759-F761 PolarHBondContact O-N 3.44Å; E759-L762 HydrophobicContact CG-CD1 4.35Å; E759-L762 WeakPolarHBondContact O-CB 3.45Å; E759-L762 PolarHBondContact O-N 3.08Å; E759-L762 VanDerWaalsContact O-N 3.1Å; E759-Y763 WeakPolarHBondContact O-CD2 3.3Å; E759-Y763 WeakPolarHBondContact O-CE2 3.42Å; E759-L790 HydrophobicContact CG-CD1 3.71Å |
| 760 | T | 67.3 | Low | 67.8 | Low | 6 Ų | 6 | 31.3 Ų | 31.3 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -61.4 | -25.5 | 174.4 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | Q351 V757 L758 L762 | Q351-T760 HydrophobicContact CB-CG2 3.66Å; Q351-T760 HydrophobicContact CG-CG2 3.59Å; V757-T760 WeakPolarHBondContact O-CB 3.46Å; V757-T760 WeakPolarHBondContact O-CG2 3.33Å; V757-T760 PolarHBondContact O-N 2.94Å; V757-T760 PolarHBondContact O-OG1 3.24Å; L758-T760 PolarHBondContact O-N 2.81Å; L758-T760 VanDerWaalsContact O-N 3.16Å; T760-L762 VanDerWaalsContact C-N 3.34Å |
| 761 | F | 66.2 | Low | 65.9 | Low | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -68.6 | -29.3 | 175.6 | -72.2 | -68.4 | 0 | 0 | 0 | 113.4 | L538 R541 F703 L758 E759 Y763 W769 | L538-F761 HydrophobicContact CD2-CD1 4.03Å; L538-F761 HydrophobicContact CD2-CE1 3.68Å; R541-F761 HydrophobicContact CB-CD1 4.27Å; R541-F761 HydrophobicContact CB-CE1 3.26Å; R541-F761 HydrophobicContact CB-CE2 4.04Å; R541-F761 HydrophobicContact CB-CZ 3.13Å; R541-F761 HydrophobicContact CG-CD1 4.23Å; R541-F761 HydrophobicContact CG-CE1 3.58Å; R541-F761 HydrophobicContact CG-CZ 3.96Å; F703-F761 AromaticContact CZ-CD2 3.95Å; F703-F761 HydrophobicContact CZ-CD2 3.95Å; F703-F761 HydrophobicContact CZ-CE2 4.1Å; F703-F761 HydrophobicContact CZ-CG 4.23Å; F703-F761 HydrophobicContact CZ-CZ 4.46Å; L758-F761 HydrophobicContact CB-CD2 4.44Å; L758-F761 HydrophobicContact CD2-CD2 4.03Å; L758-F761 HydrophobicContact CD2-CE2 3.68Å; L758-F761 VanDerWaalsContact O-CB 3.29Å; L758-F761 WeakPolarHBondContact O-CB 3.25Å; L758-F761 WeakPolarHBondContact O-CD2 3.47Å; L758-F761 PolarHBondContact O-N 3.24Å; E759-F761 PolarHBondContact O-N 3.44Å; F761-Y763 PolarHBondContact O-N 3.26Å; F761-W769 HydrophobicContact CB-CZ2 4.29Å |
| 762 | L | 64 | Low | 63.8 | Low | 18 Ų | 18 | 34.4 Ų | 34.4 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -61.5 | -30.5 | -178.8 | -65.3 | 177.3 | 0 | 0 | 0 | 112.1 | E759 T760 A786 R787 L790 | E759-L762 HydrophobicContact CG-CD1 4.35Å; E759-L762 WeakPolarHBondContact O-CB 3.45Å; E759-L762 PolarHBondContact O-N 3.08Å; E759-L762 VanDerWaalsContact O-N 3.1Å; T760-L762 VanDerWaalsContact C-N 3.34Å; L762-A786 HydrophobicContact CD2-CB 3.36Å; L762-A786 VanDerWaalsContact CD2-O 3.32Å; L762-A786 WeakPolarHBondContact CD2-O 3.5Å; L762-R787 HydrophobicContact CD1-CG 4.48Å; L762-R787 HydrophobicContact CD2-CG 4.05Å; L762-R787 VanDerWaalsContact CD2-N 3.34Å; L762-L790 HydrophobicContact CD1-CD1 3.48Å; L762-L790 VanDerWaalsContact CD1-CD1 3.48Å; L762-L790 HydrophobicContact CD2-CD1 3.58Å; L762-L790 HydrophobicContact CD2-CG 4Å; L762-L790 HydrophobicContact CG-CD1 3.53Å; L762-L790 HydrophobicContact CG-CG 4.35Å |
| 763 | Y | 60.8 | Low | 62.1 | Low | 47 Ų | 47 | 38.5 Ų | 38.5 | 18% | 0.184 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -115.6 | 10.4 | -164.7 | -52.9 | -84.2 | 0 | 0 | 0 | 113.1 | D295 R355 E759 F761 P765 | D295-Y763 PolarHBondContact OD1-OH 3.23Å; D295-Y763 VanDerWaalsContact OD1-OH 3.08Å; D295-Y763 PolarHBondContact OD2-OH 2.62Å; R355-Y763 VanDerWaalsContact CZ-CE2 3.47Å; E759-Y763 WeakPolarHBondContact O-CD2 3.3Å; E759-Y763 WeakPolarHBondContact O-CE2 3.42Å; F761-Y763 PolarHBondContact O-N 3.26Å; Y763-P765 WeakPolarHBondContact O-CD 3.3Å |
| 764 | D | 62.5 | Low | 60.3 | Low | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | trans | -92.7 | 96.9 | 165.7 | -170.4 | 3.7 | 0 | 0 | 0 | 108.3 | R397 R537 L766 V767 | R397-D764 IonicContact CZ-OD1 3.85Å; R397-D764 IonicContact NH1-OD1 2.93Å; R397-D764 PolarHBondContact NH1-OD1 3.29Å; R397-D764 IonicContact NH2-OD1 3.95Å; R397-D764 PolarHBondContact NH2-OD1 2.94Å; R537-D764 IonicContact CZ-OD2 3.37Å; R537-D764 IonicContact NH1-OD1 3.28Å; R537-D764 PolarHBondContact NH1-OD1 3.49Å; R537-D764 VanDerWaalsContact NH1-OD1 3.15Å; R537-D764 IonicContact NH1-OD2 3.58Å; R537-D764 PolarHBondContact NH1-OD2 3.29Å; D764-L766 PolarHBondContact O-N 3.15Å; D764-V767 HydrophobicContact CB-CG2 3.61Å; D764-V767 PolarHBondContact O-N 3.22Å | ||
| 765 | P | 52.3 | Low | 58.4 | Low | 60 Ų | 60 | 49.4 Ų | 49.4 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.1 | -168 | 26.8 | -37.5 | 0 | 0 | 0 | 113.9 | Y763 T770 | Y763-P765 WeakPolarHBondContact O-CD 3.3Å; P765-T770 PolarHBondContact O-OG1 3.09Å |
| 766 | L | 53.2 | Low | 56.4 | Low | 29 Ų | 29 | 53.5 Ų | 53.5 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -11.4 | -178.6 | -69.1 | 174.6 | 0 | 0 | 0 | 112 | V394 R537 E576 D764 E768 | V394-L766 HydrophobicContact CG2-CD2 3.93Å; V394-L766 HydrophobicContact CG2-CG 4.42Å; R537-L766 VanDerWaalsContact CZ-CB 3.49Å; R537-L766 VanDerWaalsContact NH2-CB 3.27Å; R537-L766 PolarHBondContact NH2-O 3.08Å; E576-L766 HydrophobicContact CG-CD1 4.28Å; E576-L766 VanDerWaalsContact OE1-CD1 3.28Å; E576-L766 WeakPolarHBondContact OE1-CD1 3.32Å; D764-L766 PolarHBondContact O-N 3.15Å; L766-E768 PolarHBondContact O-N 3.34Å |
| 767 | V | 56.4 | Low | 54.9 | Low | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -62.8 | 134.5 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | R537 L538 D764 W769 | R537-V767 VanDerWaalsContact NH1-N 3.12Å; L538-V767 HydrophobicContact CD1-CG1 4.45Å; L538-V767 HydrophobicContact CD2-CG1 3.47Å; L538-V767 VanDerWaalsContact CD2-CG1 3.47Å; L538-V767 HydrophobicContact CG-CG1 4.01Å; D764-V767 HydrophobicContact CB-CG2 3.61Å; D764-V767 PolarHBondContact O-N 3.22Å; V767-W769 VanDerWaalsContact CB-CD1 3.44Å; V767-W769 HydrophobicContact CG1-CG 4.29Å; V767-W769 PolarHBondContact O-N 3.49Å |
| 768 | E | 55.7 | Low | 53.4 | Low | 74 Ų | 74 | 66.8 Ų | 66.8 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -50.7 | -3.6 | -164.8 | -68.4 | -171.8 | 140.4 | 0 | 0 | 117.9 | R705 L766 T770 R771 | R705-E768 IonicContact CZ-OE2 4Å; R705-E768 IonicContact NH1-OE2 2.7Å; R705-E768 PolarHBondContact NH1-OE2 3.27Å; L766-E768 PolarHBondContact O-N 3.34Å; E768-T770 PolarHBondContact O-N 2.98Å; E768-R771 PolarHBondContact O-N 2.83Å |
| 769 | W | 53.7 | Low | 52 | Low | 21 Ų | 21 | 70.9 Ų | 70.9 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -45.3 | -31.3 | 172.6 | -46.9 | 102.8 | 0 | 0 | 0 | 113.5 | F703 F761 V767 A786 H789 | F703-W769 HydrophobicContact CB-CH2 4.13Å; F703-W769 HydrophobicContact CB-CZ3 4.23Å; F703-W769 HydrophobicContact CD1-CH2 4.06Å; F703-W769 AromaticContact CD2-CH2 3.07Å; F703-W769 HydrophobicContact CD2-CH2 3.07Å; F703-W769 AromaticContact CD2-CZ2 3.64Å; F703-W769 HydrophobicContact CD2-CZ2 3.64Å; F703-W769 AromaticContact CD2-CZ3 3.7Å; F703-W769 HydrophobicContact CD2-CZ3 3.7Å; F703-W769 HydrophobicContact CE1-CH2 4.22Å; F703-W769 AromaticContact CE2-CH2 3.28Å; F703-W769 HydrophobicContact CE2-CH2 3.28Å; F703-W769 AromaticContact CE2-CZ2 3.33Å; F703-W769 HydrophobicContact CE2-CZ2 3.33Å; F703-W769 HydrophobicContact CE2-CZ3 4.27Å; F703-W769 AromaticContact CG-CH2 3.49Å; F703-W769 HydrophobicContact CG-CH2 3.49Å; F703-W769 VanDerWaalsContact CG-CH2 3.49Å; F703-W769 HydrophobicContact CG-CZ2 4.38Å; F703-W769 HydrophobicContact CG-CZ3 4.06Å; F703-W769 AromaticContact CZ-CH2 3.86Å; F703-W769 HydrophobicContact CZ-CH2 3.86Å; F703-W769 AromaticContact CZ-CZ2 3.85Å; F703-W769 HydrophobicContact CZ-CZ2 3.85Å; F761-W769 HydrophobicContact CB-CZ2 4.29Å; V767-W769 VanDerWaalsContact CB-CD1 3.44Å; V767-W769 HydrophobicContact CG1-CG 4.29Å; V767-W769 PolarHBondContact O-N 3.49Å; W769-A786 HydrophobicContact CD2-CB 3.99Å; W769-A786 HydrophobicContact CE3-CB 4.3Å; W769-A786 HydrophobicContact CG-CB 4.43Å; W769-A786 HydrophobicContact CH2-CB 4.37Å; W769-A786 HydrophobicContact CZ2-CB 4.09Å; W769-H789 AromaticContact CE3-CD2 3.73Å; W769-H789 HydrophobicContact CH2-CB 3.91Å; W769-H789 AromaticContact CH2-CD2 3.74Å; W769-H789 AromaticContact CH2-CG 3.97Å; W769-H789 HydrophobicContact CZ3-CB 4.06Å; W769-H789 AromaticContact CZ3-CD2 2.98Å; W769-H789 WeakPolarHBondContact CZ3-CD2 3.38Å; W769-H789 AromaticContact CZ3-CG 3.61Å; W769-H789 AromaticContact CZ3-NE2 3.48Å; W769-H789 WeakPolarHBondContact CZ3-NE2 3.28Å |
| 770 | T | 42 | Very low | 50.9 | Low | 19 Ų | 19 | 74.1 Ų | 74.1 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -84.7 | -10.2 | -174.7 | -18.8 | 0 | 0 | 0 | 0 | 113.9 | P765 E768 N772 F777 | P765-T770 PolarHBondContact O-OG1 3.09Å; E768-T770 PolarHBondContact O-N 2.98Å; T770-N772 PolarHBondContact O-N 2.89Å; T770-F777 HydrophobicContact CG2-CD1 4.5Å; T770-F777 HydrophobicContact CG2-CD2 3.9Å; T770-F777 HydrophobicContact CG2-CE1 4.36Å; T770-F777 HydrophobicContact CG2-CE2 3.74Å; T770-F777 HydrophobicContact CG2-CG 4.28Å; T770-F777 HydrophobicContact CG2-CZ 3.98Å |
| 771 | R | 45.1 | Very low | 50.2 | Low | 180 Ų | 180 | 75.7 Ų | 75.7 | 68% | 0.679 | 39% | 0.39 | S | S | * | . | trans | -93.3 | 79.7 | -173.1 | -142.4 | 176.5 | 176.6 | 168.5 | 0.6 | 110.5 | E768 | E768-R771 PolarHBondContact O-N 2.83Š| ||
| 772 | N | 41.7 | Very low | 49.6 | Very low | 77 Ų | 77 | 75.6 Ų | 75.6 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | trans | -64.4 | 149.6 | 163.6 | -94.5 | -4.1 | 0 | 0 | 0 | 109.9 | T770 S774 | T770-N772 PolarHBondContact O-N 2.89Å; N772-S774 CarbonylContact O-C 3.56Å; N772-S774 PolarHBondContact O-N 3.14Å; N772-S774 VanDerWaalsContact O-N 3.08Å | ||
| 773 | P | 43 | Very low | 49.5 | Very low | 141 Ų | 141 | 78.7 Ų | 78.7 | 92% | 0.916 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -55.7 | -28.4 | 177.6 | -22.6 | 30.8 | 0 | 0 | 0 | 113.4 | ||
| 774 | S | 42.4 | Very low | 49.8 | Very low | 77 Ų | 77 | 81.2 Ų | 81.2 | 54% | 0.538 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -86.5 | 114 | 167.1 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | N772 K776 | N772-S774 CarbonylContact O-C 3.56Å; N772-S774 PolarHBondContact O-N 3.14Å; N772-S774 VanDerWaalsContact O-N 3.08Å; S774-K776 PolarHBondContact O-N 2.91Å |
| 775 | N | 41 | Very low | 50.1 | Low | 154 Ų | 154 | 85 Ų | 85 | 82% | 0.824 | 44% | 0.438 | S | S | * | . | trans | -55.6 | 36.4 | -173 | -142 | 17.8 | 0 | 0 | 0 | 117.6 | ||||
| 776 | K | 39.8 | Very low | 50.9 | Low | 167 Ų | 167 | 82.2 Ų | 82.2 | 73% | 0.726 | 42% | 0.42 | S | S | * | . | trans | -107.8 | 105.3 | 177.2 | -71.8 | -174.3 | 179.4 | 179.2 | 0 | 109.7 | S774 R778 | S774-K776 PolarHBondContact O-N 2.91Å; K776-R778 PolarHBondContact O-N 3.25Å | ||
| 777 | F | 41.6 | Very low | 51.9 | Low | 121 Ų | 121 | 86.3 Ų | 86.3 | 53% | 0.531 | 43% | 0.434 | S | S | . | . | trans | -62.6 | 111.2 | 173.5 | -161.5 | -97.5 | 0 | 0 | 0 | 109.7 | T770 P779 | T770-F777 HydrophobicContact CG2-CD1 4.5Å; T770-F777 HydrophobicContact CG2-CD2 3.9Å; T770-F777 HydrophobicContact CG2-CE1 4.36Å; T770-F777 HydrophobicContact CG2-CE2 3.74Å; T770-F777 HydrophobicContact CG2-CG 4.28Å; T770-F777 HydrophobicContact CG2-CZ 3.98Å; F777-P779 HydrophobicContact CD1-CG 4.09Å; F777-P779 HydrophobicContact CE1-CG 4.04Å | ||
| 778 | R | 44.1 | Very low | 53 | Low | 181 Ų | 181 | 92 Ų | 92 | 68% | 0.683 | 46% | 0.46 | S | S | * | . | trans | -114.7 | 105.2 | 168 | -79 | -170 | 179.8 | -179.8 | 1.1 | 108.7 | K776 S780 A781 | K776-R778 PolarHBondContact O-N 3.25Å; R778-S780 VanDerWaalsContact C-N 3.3Å; R778-S780 PolarHBondContact O-N 3.23Å; R778-A781 HydrophobicContact CB-CB 4.14Å; R778-A781 PolarHBondContact O-N 3.49Å | ||
| 779 | P | 46.8 | Very low | 54.1 | Low | 88 Ų | 88 | 89.9 Ų | 89.9 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58.2 | -39 | -176.5 | -19.6 | 27.1 | 0 | 0 | 0 | 113.3 | F777 A781 G782 | F777-P779 HydrophobicContact CD1-CG 4.09Å; F777-P779 HydrophobicContact CE1-CG 4.04Å; P779-A781 PolarHBondContact O-N 3.38Å; P779-G782 PolarHBondContact O-N 3.06Å |
| 780 | S | 49.9 | Very low | 55.3 | Low | 77 Ų | 77 | 89.8 Ų | 89.8 | 54% | 0.538 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.4 | -29.5 | -176.5 | 61 | 0 | 0 | 0 | 0 | 113.9 | R778 G782 D784 | R778-S780 VanDerWaalsContact C-N 3.3Å; R778-S780 PolarHBondContact O-N 3.23Å; S780-G782 VanDerWaalsContact C-N 3.32Å; S780-G782 PolarHBondContact O-N 3.04Å; S780-D784 PolarHBondContact O-N 2.75Å |
| 781 | A | 51 | Low | 57.2 | Low | 39 Ų | 39 | 94.8 Ų | 94.8 | 32% | 0.322 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.7 | -25.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | R778 P779 K785 | R778-A781 HydrophobicContact CB-CB 4.14Å; R778-A781 PolarHBondContact O-N 3.49Å; P779-A781 PolarHBondContact O-N 3.38Å; A781-K785 PolarHBondContact O-N 2.61Å |
| 782 | G | 55.5 | Low | 58.9 | Low | 6 Ų | 6 | 86.8 Ų | 86.8 | 6% | 0.062 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.8 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P779 S780 A786 | P779-G782 PolarHBondContact O-N 3.06Å; S780-G782 VanDerWaalsContact C-N 3.32Å; S780-G782 PolarHBondContact O-N 3.04Å; G782-A786 WeakPolarHBondContact O-CB 3.33Å; G782-A786 PolarHBondContact O-N 3.23Å |
| 783 | E | 61.4 | Low | 61 | Low | 83 Ų | 83 | 83.3 Ų | 83.3 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 178.3 | -68.1 | -173.7 | 179.7 | 0 | 0 | 112.2 | A786 R787 | E783-A786 PolarHBondContact O-N 3.25Å; E783-R787 WeakPolarHBondContact O-CG 3.12Å; E783-R787 PolarHBondContact O-N 3.44Å |
| 784 | D | 66.7 | Low | 63 | Low | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | -179.3 | -71.2 | -29 | 0 | 0 | 0 | 112 | S780 A786 R787 E788 | S780-D784 PolarHBondContact O-N 2.75Å; D784-A786 PolarHBondContact O-N 3.25Å; D784-R787 PolarHBondContact O-N 2.99Å; D784-E788 PolarHBondContact O-N 3.23Å; D784-E788 VanDerWaalsContact O-N 3.07Å |
| 785 | K | 68.9 | Low | 65 | Low | 90 Ų | 90 | 78.3 Ų | 78.3 | 39% | 0.391 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 173.4 | -76.7 | -173.6 | 176.2 | -177.3 | 0 | 110.8 | A781 R787 E788 H789 | A781-K785 PolarHBondContact O-N 2.61Å; K785-R787 PolarHBondContact O-N 2.98Å; K785-E788 WeakPolarHBondContact O-CA 3.38Å; K785-E788 VanDerWaalsContact O-CB 3.32Å; K785-E788 WeakPolarHBondContact O-CB 3.48Å; K785-E788 PolarHBondContact O-N 2.94Å; K785-H789 PolarHBondContact O-CD2 3.08Å; K785-H789 PolarHBondContact O-N 3.27Å |
| 786 | A | 68.4 | Low | 67.3 | Low | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -35.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L762 W769 G782 E783 D784 H789 L790 | L762-A786 HydrophobicContact CD2-CB 3.36Å; L762-A786 VanDerWaalsContact CD2-O 3.32Å; L762-A786 WeakPolarHBondContact CD2-O 3.5Å; W769-A786 HydrophobicContact CD2-CB 3.99Å; W769-A786 HydrophobicContact CE3-CB 4.3Å; W769-A786 HydrophobicContact CG-CB 4.43Å; W769-A786 HydrophobicContact CH2-CB 4.37Å; W769-A786 HydrophobicContact CZ2-CB 4.09Å; G782-A786 WeakPolarHBondContact O-CB 3.33Å; G782-A786 PolarHBondContact O-N 3.23Å; E783-A786 PolarHBondContact O-N 3.25Å; D784-A786 PolarHBondContact O-N 3.25Å; A786-H789 PolarHBondContact O-N 3.14Å; A786-L790 PolarHBondContact O-N 3.48Å |
| 787 | R | 74.8 | Confident | 69.5 | Low | 116 Ų | 116 | 63.8 Ų | 63.8 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 172.2 | -75.5 | 177.2 | 179 | -176.7 | 5.5 | 112.8 | L762 E783 D784 K785 H789 L790 Q791 | L762-R787 HydrophobicContact CD1-CG 4.48Å; L762-R787 HydrophobicContact CD2-CG 4.05Å; L762-R787 VanDerWaalsContact CD2-N 3.34Å; E783-R787 WeakPolarHBondContact O-CG 3.12Å; E783-R787 PolarHBondContact O-N 3.44Å; D784-R787 PolarHBondContact O-N 2.99Å; K785-R787 PolarHBondContact O-N 2.98Å; R787-H789 VanDerWaalsContact C-N 3.34Å; R787-L790 PolarHBondContact O-N 3.4Å; R787-Q791 WeakPolarHBondContact O-CG 3.22Å; R787-Q791 PolarHBondContact O-N 3.17Å |
| 788 | E | 79.1 | Confident | 71.6 | Confident | 121 Ų | 121 | 62.8 Ų | 62.8 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 174.6 | -172.3 | -172.4 | 166.6 | 0 | 0 | 111.3 | D784 K785 L790 Q791 S792 | D784-E788 PolarHBondContact O-N 3.23Å; D784-E788 VanDerWaalsContact O-N 3.07Å; K785-E788 WeakPolarHBondContact O-CA 3.38Å; K785-E788 VanDerWaalsContact O-CB 3.32Å; K785-E788 WeakPolarHBondContact O-CB 3.48Å; K785-E788 PolarHBondContact O-N 2.94Å; E788-L790 PolarHBondContact O-N 2.88Å; E788-Q791 WeakPolarHBondContact O-CB 3.18Å; E788-Q791 PolarHBondContact O-N 2.92Å; E788-S792 WeakPolarHBondContact O-CB 3.42Å; E788-S792 PolarHBondContact O-N 3.37Å |
| 789 | H | 78.8 | Confident | 73.4 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 178.1 | -66.2 | -73 | 0 | 0 | 0 | 112.2 | F703 W769 K785 A786 R787 Q791 S792 I793 | F703-H789 HydrophobicContact CB-CB 4.05Å; F703-H789 WeakPolarHBondContact CB-ND1 3.4Å; F703-H789 HydrophobicContact CD1-CB 4.18Å; F703-H789 HydrophobicContact CG-CB 4.25Å; F703-H789 PolarHBondContact O-CE1 3.48Å; F703-H789 VanDerWaalsContact O-CE1 3.29Å; F703-H789 PolarHBondContact O-ND1 3.27Å; W769-H789 AromaticContact CE3-CD2 3.73Å; W769-H789 HydrophobicContact CH2-CB 3.91Å; W769-H789 AromaticContact CH2-CD2 3.74Å; W769-H789 AromaticContact CH2-CG 3.97Å; W769-H789 HydrophobicContact CZ3-CB 4.06Å; W769-H789 AromaticContact CZ3-CD2 2.98Å; W769-H789 WeakPolarHBondContact CZ3-CD2 3.38Å; W769-H789 AromaticContact CZ3-CG 3.61Å; W769-H789 AromaticContact CZ3-NE2 3.48Å; W769-H789 WeakPolarHBondContact CZ3-NE2 3.28Å; K785-H789 PolarHBondContact O-CD2 3.08Å; K785-H789 PolarHBondContact O-N 3.27Å; A786-H789 PolarHBondContact O-N 3.14Å; R787-H789 VanDerWaalsContact C-N 3.34Å; H789-Q791 VanDerWaalsContact C-N 3.35Å; H789-Q791 PolarHBondContact O-N 3.42Å; H789-S792 WeakPolarHBondContact O-CB 3.42Å; H789-S792 PolarHBondContact O-N 3.35Å; H789-I793 VanDerWaalsContact O-CG1 3.28Å; H789-I793 WeakPolarHBondContact O-CG1 3.35Å; H789-I793 PolarHBondContact O-N 3.37Å |
| 790 | L | 79.5 | Confident | 74.9 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | 172.5 | -75 | -172.8 | 0 | 0 | 0 | 112.4 | L758 E759 L762 A786 R787 E788 S792 I793 E794 | L758-L790 HydrophobicContact CB-CD2 3.59Å; E759-L790 HydrophobicContact CG-CD1 3.71Å; L762-L790 HydrophobicContact CD1-CD1 3.48Å; L762-L790 VanDerWaalsContact CD1-CD1 3.48Å; L762-L790 HydrophobicContact CD2-CD1 3.58Å; L762-L790 HydrophobicContact CD2-CG 4Å; L762-L790 HydrophobicContact CG-CD1 3.53Å; L762-L790 HydrophobicContact CG-CG 4.35Å; A786-L790 PolarHBondContact O-N 3.48Å; R787-L790 PolarHBondContact O-N 3.4Å; E788-L790 PolarHBondContact O-N 2.88Å; L790-S792 VanDerWaalsContact C-N 3.29Å; L790-S792 PolarHBondContact O-N 3.16Å; L790-I793 HydrophobicContact CD2-CD1 4.39Å; L790-I793 PolarHBondContact O-N 2.87Å; L790-I793 VanDerWaalsContact O-N 3.16Å; L790-E794 WeakPolarHBondContact O-CG 3.28Å; L790-E794 PolarHBondContact O-N 2.67Å |
| 791 | Q | 80.9 | Confident | 75.9 | Confident | 124 Ų | 124 | 48.9 Ų | 48.9 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.6 | -40.2 | 175.4 | -72.2 | 179.8 | 15.5 | 0 | 0 | 111.3 | R787 E788 H789 I793 E794 T795 | R787-Q791 WeakPolarHBondContact O-CG 3.22Å; R787-Q791 PolarHBondContact O-N 3.17Å; E788-Q791 WeakPolarHBondContact O-CB 3.18Å; E788-Q791 PolarHBondContact O-N 2.92Å; H789-Q791 VanDerWaalsContact C-N 3.35Å; H789-Q791 PolarHBondContact O-N 3.42Å; Q791-I793 VanDerWaalsContact C-N 3.3Å; Q791-I793 PolarHBondContact O-N 3.08Å; Q791-E794 WeakPolarHBondContact O-CB 3.45Å; Q791-E794 PolarHBondContact O-N 3.4Å; Q791-E794 VanDerWaalsContact O-N 3.17Å; Q791-T795 WeakPolarHBondContact O-CG2 3.42Å; Q791-T795 PolarHBondContact O-N 3.43Å; Q791-T795 PolarHBondContact O-OG1 2.97Å |
| 792 | S | 82.6 | Confident | 76.4 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -34.3 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 113 | E788 H789 L790 T795 R796 R802 | E788-S792 WeakPolarHBondContact O-CB 3.42Å; E788-S792 PolarHBondContact O-N 3.37Å; H789-S792 WeakPolarHBondContact O-CB 3.42Å; H789-S792 PolarHBondContact O-N 3.35Å; L790-S792 VanDerWaalsContact C-N 3.29Å; L790-S792 PolarHBondContact O-N 3.16Å; S792-T795 WeakPolarHBondContact CA-OG1 3.07Å; S792-T795 PolarHBondContact O-OG1 3.29Å; S792-R796 WeakPolarHBondContact O-CG 3.37Å; S792-R796 PolarHBondContact O-N 3.48Å; S792-R796 PolarHBondContact O-NE 3.3Å; S792-R796 VanDerWaalsContact O-NE 3.11Å; S792-R796 PolarHBondContact OG-NH2 2.84Å; S792-R802 PolarHBondContact OG-NH2 2.99Å |
| 793 | I | 84.8 | Confident | 76.1 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.9 | -43 | 172.8 | -63.4 | 167.8 | 0 | 0 | 0 | 110.1 | V674 F703 L758 H789 L790 Q791 T795 R796 L797 | V674-I793 HydrophobicContact CG1-CG2 3.79Å; V674-I793 WeakPolarHBondContact O-CG1 3.48Å; F703-I793 HydrophobicContact CD1-CD1 3.86Å; F703-I793 HydrophobicContact CE1-CD1 3.74Å; L758-I793 HydrophobicContact CD1-CD1 3.9Å; L758-I793 HydrophobicContact CD1-CG2 3.87Å; H789-I793 VanDerWaalsContact O-CG1 3.28Å; H789-I793 WeakPolarHBondContact O-CG1 3.35Å; H789-I793 PolarHBondContact O-N 3.37Å; L790-I793 HydrophobicContact CD2-CD1 4.39Å; L790-I793 PolarHBondContact O-N 2.87Å; L790-I793 VanDerWaalsContact O-N 3.16Å; Q791-I793 VanDerWaalsContact C-N 3.3Å; Q791-I793 PolarHBondContact O-N 3.08Å; I793-T795 PolarHBondContact O-N 3.47Å; I793-R796 PolarHBondContact O-N 2.79Å; I793-L797 HydrophobicContact CG2-CD1 3.96Å; I793-L797 HydrophobicContact CG2-CG 4.45Å; I793-L797 WeakPolarHBondContact O-CG 2.95Å; I793-L797 PolarHBondContact O-N 3.38Å |
| 794 | E | 84 | Confident | 75.3 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 177.3 | -71.9 | -154.8 | 135.2 | 0 | 0 | 113 | R755 L790 Q791 L797 K798 | R755-E794 WeakPolarHBondContact CD-OE1 3.37Å; R755-E794 IonicContact CZ-OE1 2.82Å; R755-E794 IonicContact NE-OE1 3.21Å; R755-E794 IonicContact NH1-OE1 2.79Å; R755-E794 PolarHBondContact NH1-OE1 3.32Å; R755-E794 IonicContact NH1-OE2 2.68Å; L790-E794 WeakPolarHBondContact O-CG 3.28Å; L790-E794 PolarHBondContact O-N 2.67Å; Q791-E794 WeakPolarHBondContact O-CB 3.45Å; Q791-E794 PolarHBondContact O-N 3.4Å; Q791-E794 VanDerWaalsContact O-N 3.17Å; E794-L797 CarbonylContact O-C 3.55Å; E794-L797 PolarHBondContact O-N 3.47Å; E794-K798 WeakPolarHBondContact O-CB 3.48Å; E794-K798 VanDerWaalsContact O-CG 3.28Å; E794-K798 WeakPolarHBondContact O-CG 3.47Å; E794-K798 PolarHBondContact O-N 2.88Å |
| 795 | T | 85.9 | Confident | 74 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 177.7 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | Q791 S792 I793 K798 G799 S800 | Q791-T795 WeakPolarHBondContact O-CG2 3.42Å; Q791-T795 PolarHBondContact O-N 3.43Å; Q791-T795 PolarHBondContact O-OG1 2.97Å; S792-T795 WeakPolarHBondContact CA-OG1 3.07Å; S792-T795 PolarHBondContact O-OG1 3.29Å; I793-T795 PolarHBondContact O-N 3.47Å; T795-K798 CarbonylContact O-C 3.55Å; T795-K798 WeakPolarHBondContact O-CA 3.21Å; T795-K798 PolarHBondContact O-N 3.15Å; T795-K798 VanDerWaalsContact O-N 3.1Å; T795-G799 PolarHBondContact O-N 3.41Å; T795-S800 WeakPolarHBondContact O-CB 3.46Å; T795-S800 PolarHBondContact O-N 3.21Å |
| 796 | R | 87.9 | Confident | 72.6 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 172.9 | -76.2 | -176.8 | -83.9 | -161.9 | -7.5 | 112.7 | F673 V674 G676 N704 S792 I793 K798 G799 Q818 | F673-R796 HydrophobicContact CE1-CB 4.09Å; F673-R796 HydrophobicContact CE1-CG 4.06Å; F673-R796 HydrophobicContact CZ-CB 4.32Å; F673-R796 HydrophobicContact CZ-CG 3.79Å; F673-R796 WeakPolarHBondContact O-CD 3.26Å; F673-R796 PolarHBondContact O-NH1 2.77Å; V674-R796 PolarHBondContact O-NE 3.32Å; G676-R796 VanDerWaalsContact CA-NH1 3.31Å; N704-R796 PolarHBondContact ND2-NH2 3.24Å; N704-R796 PolarHBondContact OD1-NH1 2.76Å; N704-R796 PolarHBondContact OD1-NH2 3.04Å; S792-R796 WeakPolarHBondContact O-CG 3.37Å; S792-R796 PolarHBondContact O-N 3.48Å; S792-R796 PolarHBondContact O-NE 3.3Å; S792-R796 VanDerWaalsContact O-NE 3.11Å; S792-R796 PolarHBondContact OG-NH2 2.84Å; I793-R796 PolarHBondContact O-N 2.79Å; R796-K798 PolarHBondContact O-N 3.16Å; R796-G799 PolarHBondContact O-N 3.09Å; R796-Q818 PolarHBondContact O-NE2 3.43Å |
| 797 | L | 87.1 | Confident | 71.4 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -23.2 | 173.5 | -71.5 | 171.1 | 0 | 0 | 0 | 112.7 | V674 L747 R748 R751 I793 E794 G799 | V674-L797 HydrophobicContact CG1-CD1 4.27Å; V674-L797 HydrophobicContact CG1-CD2 3.76Å; V674-L797 HydrophobicContact CG1-CG 3.88Å; V674-L797 HydrophobicContact CG2-CD2 3.94Å; L747-L797 HydrophobicContact CB-CD2 3.8Å; R748-L797 WeakPolarHBondContact CG-O 3.02Å; R748-L797 PolarHBondContact NE-O 3.07Å; R751-L797 HydrophobicContact CB-CD1 4.23Å; I793-L797 HydrophobicContact CG2-CD1 3.96Å; I793-L797 HydrophobicContact CG2-CG 4.45Å; I793-L797 WeakPolarHBondContact O-CG 2.95Å; I793-L797 PolarHBondContact O-N 3.38Å; E794-L797 CarbonylContact O-C 3.55Å; E794-L797 PolarHBondContact O-N 3.47Å; L797-G799 VanDerWaalsContact C-N 3.25Å; L797-G799 PolarHBondContact O-N 2.87Å |
| 798 | K | 85.6 | Confident | 69.9 | Low | 100 Ų | 100 | 61 Ų | 61 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -1.1 | 172.2 | -74.3 | 172.1 | -173 | 171 | 0 | 113.1 | R748 E794 T795 R796 P812 | R748-K798 PolarHBondContact NH2-O 2.95Å; E794-K798 WeakPolarHBondContact O-CB 3.48Å; E794-K798 VanDerWaalsContact O-CG 3.28Å; E794-K798 WeakPolarHBondContact O-CG 3.47Å; E794-K798 PolarHBondContact O-N 2.88Å; T795-K798 CarbonylContact O-C 3.55Å; T795-K798 WeakPolarHBondContact O-CA 3.21Å; T795-K798 PolarHBondContact O-N 3.15Å; T795-K798 VanDerWaalsContact O-N 3.1Å; R796-K798 PolarHBondContact O-N 3.16Å; K798-P812 WeakPolarHBondContact O-CB 3.35Å |
| 799 | G | 82 | Confident | 68.4 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 11.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T795 R796 L797 L813 | T795-G799 PolarHBondContact O-N 3.41Å; R796-G799 PolarHBondContact O-N 3.09Å; L797-G799 VanDerWaalsContact C-N 3.25Å; L797-G799 PolarHBondContact O-N 2.87Å; G799-L813 PolarHBondContact O-N 2.86Å |
| 800 | S | 78.1 | Confident | 67.7 | Low | 46 Ų | 46 | 65 Ų | 65 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | trans | -80.2 | 133.8 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | T795 | T795-S800 WeakPolarHBondContact O-CB 3.46Å; T795-S800 PolarHBondContact O-N 3.21Å | ||
| 801 | V | 70.2 | Confident | 67.5 | Low | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | trans | -114.8 | 130.3 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 108 | T803 S804 L813 Q818 | V801-T803 PolarHBondContact O-N 2.97Å; V801-S804 WeakPolarHBondContact O-CB 3.39Å; V801-S804 PolarHBondContact O-N 3.49Å; V801-L813 HydrophobicContact CG2-CD1 3.87Å; V801-Q818 HydrophobicContact CG2-CG 4.01Å | ||
| 802 | R | 61.8 | Low | 67.6 | Low | 106 Ų | 106 | 67.9 Ų | 67.9 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -53.6 | -26.8 | -170 | -79.6 | 177.5 | 162.1 | -165.9 | -17.5 | 114.7 | N704 E707 S792 S804 L805 | N704-R802 PolarHBondContact ND2-NH1 3.33Å; N704-R802 PolarHBondContact ND2-NH2 3.16Å; E707-R802 IonicContact OE1-NH1 3.15Å; E707-R802 PolarHBondContact OE1-NH1 2.75Å; E707-R802 IonicContact OE2-CZ 3.22Å; E707-R802 IonicContact OE2-NH1 2.61Å; E707-R802 PolarHBondContact OE2-NH1 3.04Å; S792-R802 PolarHBondContact OG-NH2 2.99Å; R802-S804 PolarHBondContact O-N 3.29Å; R802-S804 VanDerWaalsContact O-N 3.14Å; R802-L805 PolarHBondContact O-N 3.41Å |
| 803 | T | 50.7 | Low | 67.8 | Low | 85 Ų | 85 | 70.6 Ų | 70.6 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -70.4 | -5 | 177.5 | -18.5 | 0 | 0 | 0 | 0 | 113.3 | V801 Q825 | V801-T803 PolarHBondContact O-N 2.97Å; T803-Q825 PolarHBondContact OG1-NE2 2.93Å |
| 804 | S | 42.9 | Very low | 68.1 | Low | 28 Ų | 28 | 73.6 Ų | 73.6 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -93.4 | 12.6 | 173.7 | -170.8 | 0 | 0 | 0 | 0 | 114.4 | V801 R802 D806 S807 Y809 | V801-S804 WeakPolarHBondContact O-CB 3.39Å; V801-S804 PolarHBondContact O-N 3.49Å; R802-S804 PolarHBondContact O-N 3.29Å; R802-S804 VanDerWaalsContact O-N 3.14Å; S804-D806 VanDerWaalsContact C-N 3.32Å; S804-S807 VanDerWaalsContact O-O 3.05Å; S804-S807 PolarHBondContact OG-OG 3.48Å; S804-Y809 PolarHBondContact OG-O 2.97Å |
| 805 | L | 40.7 | Very low | 68.6 | Low | 155 Ų | 155 | 72.6 Ų | 72.6 | 81% | 0.812 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -73.4 | -28.5 | 166.7 | -78.5 | 157.2 | 0 | 0 | 0 | 111.6 | R802 | R802-L805 PolarHBondContact O-N 3.41Š|
| 806 | D | 39.5 | Very low | 69 | Low | 166 Ų | 166 | 73.5 Ų | 73.5 | 89% | 0.888 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -95.4 | -10.9 | 172.9 | -68.8 | -24.9 | 0 | 0 | 0 | 113.5 | S804 | S804-D806 VanDerWaalsContact C-N 3.32Š|
| 807 | S | 42.2 | Very low | 69.2 | Low | 58 Ų | 58 | 74.3 Ų | 74.3 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -81.6 | 123.1 | 166.4 | 126.6 | 0 | 0 | 0 | 0 | 107.8 | S804 Y809 | S804-S807 VanDerWaalsContact O-O 3.05Å; S804-S807 PolarHBondContact OG-OG 3.48Å; S807-Y809 PolarHBondContact O-N 3.35Å |
| 808 | A | 43.3 | Very low | 69.5 | Low | 90 Ų | 90 | 73.9 Ų | 73.9 | 74% | 0.744 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -55.8 | 6.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 809 | Y | 47.6 | Very low | 70 | Confident | 167 Ų | 167 | 69.1 Ų | 69.1 | 66% | 0.655 | 40% | 0.404 | S | S | * | . | trans | -140.9 | 95 | 180 | -57.1 | -80.8 | 0 | 0 | 0 | 110 | S804 S807 L811 | S804-Y809 PolarHBondContact OG-O 2.97Å; S807-Y809 PolarHBondContact O-N 3.35Å; Y809-L811 PolarHBondContact O-N 2.84Å | ||
| 810 | G | 63.8 | Low | 70.6 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 69% | 0.691 | 42% | 0.418 | S | S | * | . | trans | -65.9 | 40.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 811 | L | 75.1 | Confident | 71.4 | Confident | 120 Ų | 120 | 71.7 Ų | 71.7 | 63% | 0.628 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 138.1 | -177.6 | -70.2 | 168.9 | 0 | 0 | 0 | 110.4 | Y809 L813 | Y809-L811 PolarHBondContact O-N 2.84Å; L811-L813 PolarHBondContact O-N 3.22Å |
| 812 | P | 83.1 | Confident | 72.5 | Confident | 84 Ų | 84 | 71.3 Ų | 71.3 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 129.1 | 175.5 | 27.9 | -33.2 | 0 | 0 | 0 | 110.4 | K798 | K798-P812 WeakPolarHBondContact O-CB 3.35Š|
| 813 | L | 87.1 | Confident | 74.2 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 154.3 | 175.3 | -67.2 | 169.9 | 0 | 0 | 0 | 111.4 | R748 G799 V801 L811 Q818 H821 | R748-L813 PolarHBondContact NH1-O 3.36Å; R748-L813 PolarHBondContact NH2-O 2.94Å; G799-L813 PolarHBondContact O-N 2.86Å; V801-L813 HydrophobicContact CG2-CD1 3.87Å; L811-L813 PolarHBondContact O-N 3.22Å; L813-Q818 HydrophobicContact CB-CB 4.17Å; L813-H821 HydrophobicContact CD1-CB 4.46Å |
| 814 | S | 92.3 | Very high | 76.3 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 164.5 | 163.9 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | E816 G817 Q818 | S814-E816 VanDerWaalsContact C-N 3.33Å; S814-G817 PolarHBondContact O-N 2.82Å; S814-G817 PolarHBondContact OG-N 3.35Å; S814-Q818 VanDerWaalsContact O-CB 3.3Å; S814-Q818 WeakPolarHBondContact O-CB 3.47Å; S814-Q818 PolarHBondContact O-N 2.81Å |
| 815 | I | 93.5 | Very high | 78.7 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 15% | 0.149 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 179.7 | -66.6 | 160.9 | 0 | 0 | 0 | 109.6 | E741 M744 R745 G817 Q818 V819 | E741-I815 HydrophobicContact CB-CG2 4.4Å; E741-I815 WeakPolarHBondContact O-CG2 3.27Å; M744-I815 HydrophobicContact CB-CG2 3.91Å; R745-I815 HydrophobicContact CB-CD1 3.8Å; R745-I815 HydrophobicContact CG-CD1 3.86Å; I815-G817 VanDerWaalsContact C-N 3.34Å; I815-G817 PolarHBondContact O-N 3.43Å; I815-Q818 PolarHBondContact O-N 2.94Å; I815-V819 WeakPolarHBondContact O-CB 3.26Å; I815-V819 VanDerWaalsContact O-CG2 3.29Å; I815-V819 WeakPolarHBondContact O-CG2 3.34Å; I815-V819 PolarHBondContact O-N 3.05Å |
| 816 | E | 94.6 | Very high | 81.3 | Confident | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 179.1 | -61.4 | 74.3 | -162.2 | 0 | 0 | 110.8 | E741 R745 S814 V819 A820 | E741-E816 HydrophobicContact CG-CG 4.34Å; R745-E816 IonicContact NH2-OE1 3.83Å; S814-E816 VanDerWaalsContact C-N 3.33Å; E816-V819 PolarHBondContact O-N 3.47Å; E816-A820 VanDerWaalsContact O-CB 3.28Å; E816-A820 WeakPolarHBondContact O-CB 3.47Å; E816-A820 PolarHBondContact O-N 3.3Å |
| 817 | G | 92.8 | Very high | 83.9 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S814 I815 A820 H821 | S814-G817 PolarHBondContact O-N 2.82Å; S814-G817 PolarHBondContact OG-N 3.35Å; I815-G817 VanDerWaalsContact C-N 3.34Å; I815-G817 PolarHBondContact O-N 3.43Å; G817-A820 PolarHBondContact O-N 3.05Å; G817-H821 WeakPolarHBondContact O-CB 3.43Å; G817-H821 PolarHBondContact O-N 3.29Å |
| 818 | Q | 93.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.1 | -173.7 | 176 | 23.3 | 0 | 0 | 111 | R796 V801 L813 S814 I815 H821 L822 | R796-Q818 PolarHBondContact O-NE2 3.43Å; V801-Q818 HydrophobicContact CG2-CG 4.01Å; L813-Q818 HydrophobicContact CB-CB 4.17Å; S814-Q818 VanDerWaalsContact O-CB 3.3Å; S814-Q818 WeakPolarHBondContact O-CB 3.47Å; S814-Q818 PolarHBondContact O-N 2.81Å; I815-Q818 PolarHBondContact O-N 2.94Å; Q818-H821 PolarHBondContact O-N 3.26Å; Q818-L822 HydrophobicContact CG-CD1 4.05Å; Q818-L822 HydrophobicContact CG-CG 4.48Å; Q818-L822 WeakPolarHBondContact O-CB 3.47Å; Q818-L822 WeakPolarHBondContact O-CG 3.29Å; Q818-L822 PolarHBondContact O-N 3.44Å |
| 819 | V | 95.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.6 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | M670 R737 C740 E741 M744 I815 E816 H821 L822 I823 | M670-V819 HydrophobicContact SD-CG2 4.23Å; R737-V819 HydrophobicContact CG-CG1 4.34Å; C740-V819 HydrophobicContact CB-CG1 3.61Å; C740-V819 HydrophobicContact CB-CG2 4.08Å; E741-V819 HydrophobicContact CG-CB 4.49Å; E741-V819 HydrophobicContact CG-CG1 4.45Å; E741-V819 HydrophobicContact CG-CG2 4.37Å; M744-V819 HydrophobicContact CB-CG2 4.27Å; M744-V819 HydrophobicContact CG-CG2 3.93Å; I815-V819 WeakPolarHBondContact O-CB 3.26Å; I815-V819 VanDerWaalsContact O-CG2 3.29Å; I815-V819 WeakPolarHBondContact O-CG2 3.34Å; I815-V819 PolarHBondContact O-N 3.05Å; E816-V819 PolarHBondContact O-N 3.47Å; V819-H821 PolarHBondContact O-N 3.44Å; V819-L822 PolarHBondContact O-N 3.48Å; V819-I823 HydrophobicContact CG1-CD1 3.68Å; V819-I823 HydrophobicContact CG1-CG1 4.33Å; V819-I823 VanDerWaalsContact O-CG1 3.28Å; V819-I823 WeakPolarHBondContact O-CG1 3.26Å; V819-I823 PolarHBondContact O-N 3.12Å |
| 820 | A | 95 | Very high | 91.1 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E816 G817 L822 I823 S824 | E816-A820 VanDerWaalsContact O-CB 3.28Å; E816-A820 WeakPolarHBondContact O-CB 3.47Å; E816-A820 PolarHBondContact O-N 3.3Å; G817-A820 PolarHBondContact O-N 3.05Å; A820-L822 PolarHBondContact O-N 2.8Å; A820-I823 PolarHBondContact O-N 3Å; A820-S824 WeakPolarHBondContact O-CB 3.48Å; A820-S824 PolarHBondContact O-N 2.8Å |
| 821 | H | 93.5 | Very high | 92.5 | Very high | 64 Ų | 64 | 51 Ų | 51 | 30% | 0.296 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.4 | -176.4 | 86.9 | 0 | 0 | 0 | 111.8 | L813 G817 Q818 V819 S824 Q825 | L813-H821 HydrophobicContact CD1-CB 4.46Å; G817-H821 WeakPolarHBondContact O-CB 3.43Å; G817-H821 PolarHBondContact O-N 3.29Å; Q818-H821 PolarHBondContact O-N 3.26Å; V819-H821 PolarHBondContact O-N 3.44Å; H821-S824 PolarHBondContact O-N 3.45Å; H821-Q825 PolarHBondContact NE2-NE2 3.21Å; H821-Q825 PolarHBondContact NE2-OE1 3.34Å; H821-Q825 WeakPolarHBondContact O-CG 3.45Å; H821-Q825 PolarHBondContact O-N 3.04Å |
| 822 | L | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 179.5 | -68.7 | 173.4 | 0 | 0 | 0 | 112.8 | M670 F673 P716 F717 Q818 V819 A820 S824 Q825 A826 | M670-L822 HydrophobicContact CE-CD1 4.39Å; M670-L822 HydrophobicContact SD-CD1 4.35Å; F673-L822 HydrophobicContact CD1-CD1 3.61Å; F673-L822 HydrophobicContact CD1-CD2 4.3Å; F673-L822 HydrophobicContact CD2-CD1 4.33Å; F673-L822 HydrophobicContact CD2-CD2 3.61Å; F673-L822 HydrophobicContact CE1-CD1 3.7Å; F673-L822 HydrophobicContact CE1-CD2 4.09Å; F673-L822 HydrophobicContact CE2-CD1 4.41Å; F673-L822 HydrophobicContact CE2-CD2 3.34Å; F673-L822 HydrophobicContact CG-CD1 3.93Å; F673-L822 HydrophobicContact CG-CD2 4.08Å; F673-L822 HydrophobicContact CZ-CD1 4.11Å; F673-L822 HydrophobicContact CZ-CD2 3.6Å; F673-L822 HydrophobicContact CZ-CG 4.44Å; P716-L822 HydrophobicContact CB-CD2 3.94Å; P716-L822 HydrophobicContact CG-CD2 4.16Å; F717-L822 HydrophobicContact CE1-CB 4.07Å; Q818-L822 HydrophobicContact CG-CD1 4.05Å; Q818-L822 HydrophobicContact CG-CG 4.48Å; Q818-L822 WeakPolarHBondContact O-CB 3.47Å; Q818-L822 WeakPolarHBondContact O-CG 3.29Å; Q818-L822 PolarHBondContact O-N 3.44Å; V819-L822 PolarHBondContact O-N 3.48Å; A820-L822 PolarHBondContact O-N 2.8Å; L822-S824 VanDerWaalsContact C-N 3.34Å; L822-Q825 PolarHBondContact O-N 2.88Å; L822-A826 WeakPolarHBondContact O-CB 3.36Å; L822-A826 PolarHBondContact O-N 2.69Å |
| 823 | I | 96.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 175 | -69 | 172.5 | 0 | 0 | 0 | 110.2 | L719 C732 F736 R737 V819 A820 Q825 A826 T827 | L719-I823 HydrophobicContact CD2-CG2 4.4Å; C732-I823 HydrophobicContact CB-CG2 3.97Å; F736-I823 HydrophobicContact CD1-CD1 4.14Å; F736-I823 HydrophobicContact CE1-CD1 4.1Å; F736-I823 HydrophobicContact CE1-CG1 4.08Å; R737-I823 HydrophobicContact CB-CD1 4.29Å; V819-I823 HydrophobicContact CG1-CD1 3.68Å; V819-I823 HydrophobicContact CG1-CG1 4.33Å; V819-I823 VanDerWaalsContact O-CG1 3.28Å; V819-I823 WeakPolarHBondContact O-CG1 3.26Å; V819-I823 PolarHBondContact O-N 3.12Å; A820-I823 PolarHBondContact O-N 3Å; I823-Q825 VanDerWaalsContact C-N 3.33Å; I823-Q825 PolarHBondContact O-N 3.35Å; I823-A826 PolarHBondContact O-N 2.94Å; I823-T827 PolarHBondContact O-N 3.27Å; I823-T827 VanDerWaalsContact O-N 3.08Å; I823-T827 PolarHBondContact O-OG1 3.18Å |
| 824 | S | 94.8 | Very high | 94.1 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 53% | 0.531 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | A820 H821 L822 T827 D828 | A820-S824 WeakPolarHBondContact O-CB 3.48Å; A820-S824 PolarHBondContact O-N 2.8Å; H821-S824 PolarHBondContact O-N 3.45Å; L822-S824 VanDerWaalsContact C-N 3.34Å; S824-T827 PolarHBondContact O-OG1 3.34Å; S824-D828 WeakPolarHBondContact O-CB 3.41Å; S824-D828 PolarHBondContact O-N 3.39Å; S824-D828 VanDerWaalsContact O-N 3.08Å |
| 825 | Q | 93.7 | Very high | 94 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.1 | -42.3 | 177.1 | -74.1 | -169.4 | -31.8 | 0 | 0 | 112.5 | P716 T803 H821 L822 I823 T827 D828 L831 | P716-Q825 HydrophobicContact CG-CB 4.15Å; T803-Q825 PolarHBondContact OG1-NE2 2.93Å; H821-Q825 PolarHBondContact NE2-NE2 3.21Å; H821-Q825 PolarHBondContact NE2-OE1 3.34Å; H821-Q825 WeakPolarHBondContact O-CG 3.45Å; H821-Q825 PolarHBondContact O-N 3.04Å; L822-Q825 PolarHBondContact O-N 2.88Å; I823-Q825 VanDerWaalsContact C-N 3.33Å; I823-Q825 PolarHBondContact O-N 3.35Å; Q825-T827 PolarHBondContact O-N 3.4Å; Q825-D828 PolarHBondContact O-N 3.03Å; Q825-L831 HydrophobicContact CB-CD1 4.27Å |
| 826 | A | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -27.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P716 F717 L719 L822 I823 | P716-A826 HydrophobicContact CG-CB 4.1Å; F717-A826 HydrophobicContact CD2-CB 4.08Å; F717-A826 HydrophobicContact CE1-CB 4.33Å; F717-A826 HydrophobicContact CE2-CB 3.71Å; F717-A826 HydrophobicContact CZ-CB 3.84Å; L719-A826 HydrophobicContact CB-CB 3.81Å; L719-A826 HydrophobicContact CD2-CB 4.24Å; L822-A826 WeakPolarHBondContact O-CB 3.36Å; L822-A826 PolarHBondContact O-N 2.69Å; I823-A826 PolarHBondContact O-N 2.94Å |
| 827 | T | 95.2 | Very high | 93.5 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -100.5 | -1.1 | 179.4 | 56.8 | 0 | 0 | 0 | 0 | 114 | L719 V724 I823 S824 Q825 K829 | L719-T827 HydrophobicContact CD2-CG2 3.69Å; L719-T827 HydrophobicContact CG-CG2 3.93Å; V724-T827 HydrophobicContact CG2-CG2 4.21Å; I823-T827 PolarHBondContact O-N 3.27Å; I823-T827 VanDerWaalsContact O-N 3.08Å; I823-T827 PolarHBondContact O-OG1 3.18Å; S824-T827 PolarHBondContact O-OG1 3.34Å; Q825-T827 PolarHBondContact O-N 3.4Å; T827-K829 PolarHBondContact O-N 3Å; T827-K829 VanDerWaalsContact O-N 3.15Å |
| 828 | D | 95.2 | Very high | 93.2 | Very high | 59 Ų | 59 | 41 Ų | 41 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | trans | -66.9 | 115.4 | -179 | -174.1 | -6.2 | 0 | 0 | 0 | 110.6 | S824 Q825 K830 L831 L832 | S824-D828 WeakPolarHBondContact O-CB 3.41Å; S824-D828 PolarHBondContact O-N 3.39Å; S824-D828 VanDerWaalsContact O-N 3.08Å; Q825-D828 PolarHBondContact O-N 3.03Å; D828-K830 PolarHBondContact O-N 3.46Å; D828-K830 WeakPolarHBondContact OD1-CB 3.4Å; D828-K830 WeakPolarHBondContact OD1-CG 3.37Å; D828-K830 PolarHBondContact OD1-N 2.8Å; D828-L831 HydrophobicContact CB-CB 4.28Å; D828-L831 HydrophobicContact CB-CD1 4.15Å; D828-L831 HydrophobicContact CB-CG 4.09Å; D828-L831 PolarHBondContact O-N 3.19Å; D828-L831 VanDerWaalsContact O-N 3.07Å; D828-L832 WeakPolarHBondContact O-CG 3.42Å; D828-L832 PolarHBondContact O-N 3.03Å | ||
| 829 | K | 93.7 | Very high | 93.1 | Very high | 114 Ų | 114 | 41.3 Ų | 41.3 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.9 | -30.3 | 177.6 | -63 | -175.6 | 179.6 | -176.1 | 0 | 112.5 | L625 T827 A833 | L625-K829 HydrophobicContact CD2-CB 4.45Å; T827-K829 PolarHBondContact O-N 3Å; T827-K829 VanDerWaalsContact O-N 3.15Å; K829-A833 WeakPolarHBondContact O-CB 3.28Å; K829-A833 PolarHBondContact O-N 2.7Å |
| 830 | K | 94 | Very high | 92.9 | Very high | 118 Ų | 118 | 41.4 Ų | 41.4 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.9 | -40.1 | 177 | -59.1 | -177.9 | 179.9 | 174.3 | 0 | 111.7 | L625 D828 Q834 | L625-K830 HydrophobicContact CD1-CG 4.09Å; L625-K830 HydrophobicContact CD2-CG 4.19Å; D828-K830 PolarHBondContact O-N 3.46Å; D828-K830 WeakPolarHBondContact OD1-CB 3.4Å; D828-K830 WeakPolarHBondContact OD1-CG 3.37Å; D828-K830 PolarHBondContact OD1-N 2.8Å; K830-Q834 WeakPolarHBondContact O-CG 3.46Å; K830-Q834 PolarHBondContact O-NE2 3.08Å |
| 831 | L | 93.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 40 Ų | 40 | 18% | 0.183 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.8 | -44 | 176.6 | -62.1 | -179.8 | 0 | 0 | 0 | 110.5 | L714 I715 Q825 D828 A833 Q834 M835 | L714-L831 HydrophobicContact CB-CD2 4.27Å; L714-L831 HydrophobicContact CD1-CD2 4.4Å; I715-L831 HydrophobicContact CG2-CB 3.73Å; Q825-L831 HydrophobicContact CB-CD1 4.27Å; D828-L831 HydrophobicContact CB-CB 4.28Å; D828-L831 HydrophobicContact CB-CD1 4.15Å; D828-L831 HydrophobicContact CB-CG 4.09Å; D828-L831 PolarHBondContact O-N 3.19Å; D828-L831 VanDerWaalsContact O-N 3.07Å; L831-A833 PolarHBondContact O-N 3.14Å; L831-Q834 WeakPolarHBondContact O-CB 3.38Å; L831-Q834 PolarHBondContact O-N 3.14Å; L831-M835 PolarHBondContact O-N 2.81Å |
| 832 | L | 93.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 177.6 | -71.4 | 171 | 0 | 0 | 0 | 112.9 | F628 I715 D828 Q834 M835 W839 P841 | F628-L832 HydrophobicContact CE1-CB 4.31Å; F628-L832 HydrophobicContact CZ-CB 4.01Å; I715-L832 HydrophobicContact CD1-CD2 3.93Å; I715-L832 HydrophobicContact CG2-CD2 4.3Å; D828-L832 WeakPolarHBondContact O-CG 3.42Å; D828-L832 PolarHBondContact O-N 3.03Å; L832-Q834 PolarHBondContact O-N 2.7Å; L832-M835 WeakPolarHBondContact O-CB 3.43Å; L832-M835 PolarHBondContact O-N 3.32Å; L832-M835 VanDerWaalsContact O-N 3.09Å; L832-W839 HydrophobicContact CD2-CH2 4.34Å; L832-W839 HydrophobicContact CD2-CZ3 4.03Å; L832-P841 HydrophobicContact CB-CB 4.3Å; L832-P841 HydrophobicContact CD2-CB 4.19Å; L832-P841 WeakPolarHBondContact O-CB 3.41Å; L832-P841 WeakPolarHBondContact O-CG 3.34Å |
| 833 | A | 92.8 | Very high | 92.5 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K624 L625 F628 K829 L831 | K624-A833 HydrophobicContact CB-CB 4.4Å; L625-A833 HydrophobicContact CD2-CB 4.03Å; L625-A833 HydrophobicContact CG-CB 4.35Å; F628-A833 HydrophobicContact CB-CB 3.71Å; F628-A833 HydrophobicContact CD1-CB 4.25Å; F628-A833 HydrophobicContact CG-CB 3.92Å; K829-A833 WeakPolarHBondContact O-CB 3.28Å; K829-A833 PolarHBondContact O-N 2.7Å; L831-A833 PolarHBondContact O-N 3.14Å |
| 834 | Q | 92.2 | Very high | 92.3 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -5.4 | 175.5 | -70.8 | 177.6 | 86.4 | 0 | 0 | 113.1 | L621 K624 W711 L714 K830 L831 L832 | L621-Q834 HydrophobicContact CD1-CG 3.57Å; K624-Q834 HydrophobicContact CD-CG 4.3Å; W711-Q834 PolarHBondContact NE1-O 2.91Å; L714-Q834 HydrophobicContact CD1-CB 3.82Å; K830-Q834 WeakPolarHBondContact O-CG 3.46Å; K830-Q834 PolarHBondContact O-NE2 3.08Å; L831-Q834 WeakPolarHBondContact O-CB 3.38Å; L831-Q834 PolarHBondContact O-N 3.14Å; L832-Q834 PolarHBondContact O-N 2.7Å |
| 835 | M | 91.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.034 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -72.5 | 154.2 | -179.7 | -64.6 | -64.7 | -70.2 | 0 | 0 | 112 | E713 L714 I715 L831 L832 W839 P841 | E713-M835 HydrophobicContact CB-CE 3.86Å; E713-M835 HydrophobicContact CG-CE 3.83Å; L714-M835 HydrophobicContact CB-SD 4.47Å; L714-M835 PolarHBondContact N-SD 2.92Å; L714-M835 VanDerWaalsContact N-SD 3.44Å; I715-M835 HydrophobicContact CD1-CE 4.23Å; I715-M835 HydrophobicContact CG1-CE 3.9Å; I715-M835 HydrophobicContact CG1-SD 4.06Å; I715-M835 HydrophobicContact CG2-SD 4.34Å; L831-M835 PolarHBondContact O-N 2.81Å; L832-M835 WeakPolarHBondContact O-CB 3.43Å; L832-M835 PolarHBondContact O-N 3.32Å; L832-M835 VanDerWaalsContact O-N 3.09Å; M835-W839 HydrophobicContact CB-CE3 4.14Å; M835-W839 HydrophobicContact CE-CD2 3.72Å; M835-W839 HydrophobicContact CE-CE3 4.13Å; M835-W839 HydrophobicContact CE-CG 3.93Å; M835-W839 HydrophobicContact CE-CZ2 4.32Å; M835-W839 HydrophobicContact CG-CE3 4.3Å; M835-P841 HydrophobicContact CB-CB 4.14Å; M835-P841 HydrophobicContact CB-CG 4.05Å |
| 836 | Y | 89.7 | Confident | 92.1 | Very high | 133 Ų | 133 | 37.1 Ų | 37.1 | 52% | 0.522 | 18% | 0.184 | S | C | . | . | trans | -59.5 | 141.2 | 175.3 | 179.3 | -129.3 | 0 | 0 | 0 | 111 | W711 G838 W839 A840 | W711-Y836 HydrophobicContact CB-CD2 4.35Å; W711-Y836 HydrophobicContact CB-CG 4.36Å; W711-Y836 HydrophobicContact CD2-CD2 4.13Å; W711-Y836 HydrophobicContact CE3-CD2 4.1Å; W711-Y836 HydrophobicContact CG-CD2 4.24Å; W711-Y836 HydrophobicContact CG-CG 4.37Å; Y836-G838 VanDerWaalsContact C-N 3.28Å; Y836-G838 VanDerWaalsContact CD1-N 3.27Å; Y836-G838 VanDerWaalsContact CE1-CA 3.45Å; Y836-G838 PolarHBondContact O-N 3.32Å; Y836-W839 WeakPolarHBondContact O-CA 3.21Å; Y836-W839 WeakPolarHBondContact O-CB 3.06Å; Y836-W839 PolarHBondContact O-N 3.25Å; Y836-W839 VanDerWaalsContact O-N 3.08Å; Y836-A840 PolarHBondContact O-N 3.11Å | ||
| 837 | V | 86.8 | Confident | 91.9 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -58.2 | -39.2 | 177.5 | 157.5 | 0 | 0 | 0 | 0 | 113.1 | L610 M614 W839 A840 | L610-V837 HydrophobicContact CD2-CG1 4.47Å; M614-V837 HydrophobicContact CB-CG2 3.95Å; M614-V837 HydrophobicContact CE-CB 4.3Å; M614-V837 HydrophobicContact CE-CG1 3.1Å; M614-V837 HydrophobicContact CE-CG2 4.44Å; M614-V837 HydrophobicContact CG-CB 4.27Å; M614-V837 HydrophobicContact CG-CG1 3.97Å; M614-V837 HydrophobicContact CG-CG2 3.4Å; M614-V837 HydrophobicContact SD-CB 3.98Å; M614-V837 HydrophobicContact SD-CG1 3.35Å; M614-V837 WeakPolarHBondContact SD-CG1 3.45Å; M614-V837 HydrophobicContact SD-CG2 3.7Å; V837-W839 PolarHBondContact O-N 3.34Å; V837-A840 VanDerWaalsContact O-CA 3.25Å; V837-A840 WeakPolarHBondContact O-CA 3.39Å; V837-A840 PolarHBondContact O-N 3.34Å |
| 838 | G | 86.9 | Confident | 91.7 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -62.6 | -31.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R591 Y836 A840 | R591-G838 PolarHBondContact NH1-O 3.17Å; Y836-G838 VanDerWaalsContact C-N 3.28Å; Y836-G838 VanDerWaalsContact CD1-N 3.27Å; Y836-G838 VanDerWaalsContact CE1-CA 3.45Å; Y836-G838 PolarHBondContact O-N 3.32Å; G838-A840 PolarHBondContact O-N 3.1Å |
| 839 | W | 91.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 2% | 0.023 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -63.3 | -27.9 | 169.9 | -163.1 | 90.3 | 0 | 0 | 0 | 112 | R680 E713 I715 R718 T720 L832 M835 Y836 V837 P841 | R680-W839 PolarHBondContact O-NE1 2.92Å; E713-W839 PolarHBondContact OE1-NE1 3Å; I715-W839 HydrophobicContact CD1-CH2 3.18Å; I715-W839 HydrophobicContact CD1-CZ2 3.42Å; I715-W839 VanDerWaalsContact CD1-CZ2 3.42Å; I715-W839 HydrophobicContact CD1-CZ3 3.95Å; I715-W839 HydrophobicContact CG1-CH2 4.45Å; I715-W839 HydrophobicContact CG1-CZ2 4.36Å; R718-W839 HydrophobicContact CB-CH2 4.03Å; R718-W839 HydrophobicContact CB-CZ2 3.6Å; R718-W839 HydrophobicContact CG-CH2 3.61Å; R718-W839 HydrophobicContact CG-CZ2 3.57Å; R718-W839 PolarHBondContact NH1-O 3.11Å; R718-W839 PolarHBondContact NH2-O 2.9Å; T720-W839 HydrophobicContact CG2-CH2 3.97Å; T720-W839 HydrophobicContact CG2-CZ3 3.93Å; L832-W839 HydrophobicContact CD2-CH2 4.34Å; L832-W839 HydrophobicContact CD2-CZ3 4.03Å; M835-W839 HydrophobicContact CB-CE3 4.14Å; M835-W839 HydrophobicContact CE-CD2 3.72Å; M835-W839 HydrophobicContact CE-CE3 4.13Å; M835-W839 HydrophobicContact CE-CG 3.93Å; M835-W839 HydrophobicContact CE-CZ2 4.32Å; M835-W839 HydrophobicContact CG-CE3 4.3Å; Y836-W839 WeakPolarHBondContact O-CA 3.21Å; Y836-W839 WeakPolarHBondContact O-CB 3.06Å; Y836-W839 PolarHBondContact O-N 3.25Å; Y836-W839 VanDerWaalsContact O-N 3.08Å; V837-W839 PolarHBondContact O-N 3.34Å; W839-P841 HydrophobicContact CE3-CB 3.69Å; W839-P841 HydrophobicContact CE3-CG 4.44Å; W839-P841 VanDerWaalsContact CZ3-CA 3.47Å; W839-P841 HydrophobicContact CZ3-CB 3.66Å |
| 840 | A | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | trans | 56.6 | 67.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R718 Y836 V837 G838 F842 I843 | R718-A840 PolarHBondContact NH2-O 3.44Å; Y836-A840 PolarHBondContact O-N 3.11Å; V837-A840 VanDerWaalsContact O-CA 3.25Å; V837-A840 WeakPolarHBondContact O-CA 3.39Å; V837-A840 PolarHBondContact O-N 3.34Å; G838-A840 PolarHBondContact O-N 3.1Å; A840-F842 HydrophobicContact CB-CE1 3.99Å; A840-F842 HydrophobicContact CB-CE2 4.29Å; A840-F842 HydrophobicContact CB-CZ 3.78Å; A840-F842 PolarHBondContact O-N 3.25Å; A840-I843 HydrophobicContact CB-CB 4.37Å; A840-I843 HydrophobicContact CB-CD1 3.94Å; A840-I843 HydrophobicContact CB-CG1 4.12Å; A840-I843 PolarHBondContact O-N 2.92Å | ||
| 841 | P | 93.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.3 | -178 | 28.1 | -36.7 | 0 | 0 | 0 | 114.8 | F628 L832 M835 W839 I843 | F628-P841 HydrophobicContact CE2-CB 4.02Å; F628-P841 HydrophobicContact CE2-CG 4.01Å; L832-P841 HydrophobicContact CB-CB 4.3Å; L832-P841 HydrophobicContact CD2-CB 4.19Å; L832-P841 WeakPolarHBondContact O-CB 3.41Å; L832-P841 WeakPolarHBondContact O-CG 3.34Å; M835-P841 HydrophobicContact CB-CB 4.14Å; M835-P841 HydrophobicContact CB-CG 4.05Å; W839-P841 HydrophobicContact CE3-CB 3.69Å; W839-P841 HydrophobicContact CE3-CG 4.44Å; W839-P841 VanDerWaalsContact CZ3-CA 3.47Å; W839-P841 HydrophobicContact CZ3-CB 3.66Å; P841-I843 VanDerWaalsContact C-N 3.27Å |
| 842 | F | 90.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.2 | 173.8 | 58.2 | -93.2 | 0 | 0 | 0 | 112.8 | L610 F628 L632 H636 H721 A840 | L610-F842 HydrophobicContact CD1-CE1 4.19Å; L610-F842 HydrophobicContact CD1-CE2 4.15Å; L610-F842 HydrophobicContact CD1-CZ 3.7Å; L610-F842 HydrophobicContact CD2-CZ 3.95Å; L610-F842 HydrophobicContact CG-CZ 4.43Å; F628-F842 HydrophobicContact CE2-CB 4.2Å; L632-F842 HydrophobicContact CB-CB 4.03Å; L632-F842 HydrophobicContact CB-CG 4.34Å; L632-F842 HydrophobicContact CD1-CD1 4.03Å; L632-F842 HydrophobicContact CD2-CD1 4.49Å; H636-F842 HydrophobicContact CB-CD2 4.13Å; H636-F842 WeakPolarHBondContact CB-O 3.25Å; H636-F842 AromaticContact CD2-CD2 3.84Å; H636-F842 AromaticContact CE1-CD2 3.62Å; H636-F842 AromaticContact CE1-CE2 3.71Å; H636-F842 AromaticContact CG-CD2 3.6Å; H636-F842 AromaticContact ND1-CD2 3.49Å; H636-F842 WeakPolarHBondContact ND1-CD2 3.4Å; H636-F842 AromaticContact NE2-CD2 3.86Å; H636-F842 AromaticContact NE2-CE2 3.69Å; H721-F842 PolarHBondContact CE1-O 3.33Å; A840-F842 HydrophobicContact CB-CE1 3.99Å; A840-F842 HydrophobicContact CB-CE2 4.29Å; A840-F842 HydrophobicContact CB-CZ 3.78Å; A840-F842 PolarHBondContact O-N 3.25Å |
| 843 | I | 89.7 | Confident | 90.6 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | trans | -108.4 | 0 | 167 | -59.3 | -179.7 | 0 | 0 | 0 | 106.3 | R591 M594 R718 T720 N722 A840 P841 | R591-I843 HydrophobicContact CG-CD1 4.29Å; M594-I843 HydrophobicContact CB-CG2 3.65Å; M594-I843 HydrophobicContact CG-CG2 3.54Å; R718-I843 PolarHBondContact NH2-OXT 3.4Å; T720-I843 VanDerWaalsContact CB-O 3.31Å; T720-I843 WeakPolarHBondContact CB-O 3.46Å; T720-I843 WeakPolarHBondContact CB-OXT 3.42Å; T720-I843 VanDerWaalsContact CG2-OXT 3.23Å; T720-I843 WeakPolarHBondContact CG2-OXT 3.46Å; T720-I843 PolarHBondContact OG1-O 3.47Å; T720-I843 PolarHBondContact OG1-OXT 2.83Å; T720-I843 VanDerWaalsContact OG1-OXT 3.07Å; N722-I843 WeakPolarHBondContact CB-O 3.35Å; N722-I843 PolarHBondContact ND2-O 2.9Å; A840-I843 HydrophobicContact CB-CB 4.37Å; A840-I843 HydrophobicContact CB-CD1 3.94Å; A840-I843 HydrophobicContact CB-CG1 4.12Å; A840-I843 PolarHBondContact O-N 2.92Å; P841-I843 VanDerWaalsContact C-N 3.27Å |
Retrieved 843 of 843 residues in 805 ms
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