| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.5 | Very low | 42.4 | Very low | 229 Ų | 229 | 157.7 Ų | 157.7 | 100% | 1.128 | 76% | 0.764 | S | S | * | * | 0 | 23.1 | 0 | -149.9 | -176.5 | -153.6 | 0 | 0 | 110.9 | |||||
| 2 | E | 30.2 | Very low | 45.4 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | trans | -120.3 | 13.1 | -145.6 | -75.6 | 127.5 | 140.8 | 0 | 0 | 116.7 | K4 Q5 | E2-K4 PolarHBondContact O-N 3.32Å; E2-Q5 PolarHBondContact O-N 2.86Å | ||
| 3 | N | 33.1 | Very low | 48.2 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 39.7 | 172.2 | -64.2 | 58.7 | 0 | 0 | 0 | 113.8 | ||
| 4 | K | 41.8 | Very low | 50.4 | Low | 196 Ų | 196 | 135.1 Ų | 135.1 | 85% | 0.852 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | 5.3 | 175 | -72.6 | -158 | 170.7 | -165.8 | 0 | 113.8 | E2 | E2-K4 PolarHBondContact O-N 3.32Š|
| 5 | Q | 29.5 | Very low | 52.5 | Low | 138 Ų | 138 | 131.2 Ų | 131.2 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -91.1 | -31.1 | -178.2 | -152.7 | 74.6 | 3.6 | 0 | 0 | 113 | E2 E7 | E2-Q5 PolarHBondContact O-N 2.86Å; Q5-E7 VanDerWaalsContact C-N 3.33Å; Q5-E7 PolarHBondContact O-N 2.72Å |
| 6 | E | 36.9 | Very low | 54.5 | Low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -16 | -164.5 | -63.3 | 175.9 | 126.5 | 0 | 0 | 115.9 | R8 | E6-R8 VanDerWaalsContact C-N 3.25Å; E6-R8 PolarHBondContact O-N 3.43Å |
| 7 | E | 39.5 | Very low | 56 | Low | 192 Ų | 192 | 121.3 Ų | 121.3 | 90% | 0.897 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -1.5 | -176.5 | -74.3 | -172.3 | 135.7 | 0 | 0 | 115.1 | Q5 | Q5-E7 VanDerWaalsContact C-N 3.33Å; Q5-E7 PolarHBondContact O-N 2.72Å |
| 8 | R | 44.5 | Very low | 57.4 | Low | 220 Ų | 220 | 121.2 Ų | 121.2 | 83% | 0.83 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -99.9 | -30.2 | -171.3 | -71.9 | -170.5 | 171.8 | -166.9 | -3.7 | 116.3 | E6 C10 | E6-R8 VanDerWaalsContact C-N 3.25Å; E6-R8 PolarHBondContact O-N 3.43Å; R8-C10 PolarHBondContact O-N 3.02Å |
| 9 | D | 44.8 | Very low | 58.7 | Low | 153 Ų | 153 | 117.7 Ų | 117.7 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | trans | -104.7 | 43.5 | -163.1 | -58.6 | -29.9 | 0 | 0 | 0 | 113.1 | ||||
| 10 | C | 58.2 | Low | 59.9 | Low | 65 Ų | 65 | 112.7 Ų | 112.7 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | trans | -87.9 | 116.2 | 179.2 | -151.7 | 0 | 0 | 0 | 0 | 111.3 | R8 K15 | R8-C10 PolarHBondContact O-N 3.02Å; C10-K15 WeakPolarHBondContact O-CE 3.36Å | ||
| 11 | S | 73.1 | Confident | 60.9 | Low | 69 Ų | 69 | 108.5 Ų | 108.5 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | trans | -65.2 | 156.7 | -174.3 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | L13 Q14 K15 | S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.29Å; S11-Q14 WeakPolarHBondContact O-CB 3.04Å; S11-Q14 PolarHBondContact O-N 2.86Å; S11-Q14 PolarHBondContact OG-N 3.23Å; S11-K15 PolarHBondContact O-N 2.9Å | ||
| 12 | V | 79.1 | Confident | 63.1 | Low | 33 Ų | 33 | 100.1 Ų | 100.1 | 20% | 0.2 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | -176.2 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | Q14 K15 I16 I37 L39 | V12-Q14 VanDerWaalsContact C-N 3.27Å; V12-Q14 PolarHBondContact O-N 2.72Å; V12-K15 WeakPolarHBondContact O-CB 3.36Å; V12-K15 PolarHBondContact O-N 2.72Å; V12-K15 VanDerWaalsContact O-N 3.13Å; V12-I16 HydrophobicContact CG1-CD1 4.43Å; V12-I16 WeakPolarHBondContact O-CG1 3.49Å; V12-I16 PolarHBondContact O-N 3.06Å; V12-I37 HydrophobicContact CG1-CD1 3.79Å; V12-I37 HydrophobicContact CG1-CG1 4.04Å; V12-L39 HydrophobicContact CB-CD1 4.49Å; V12-L39 HydrophobicContact CG1-CB 3.96Å; V12-L39 HydrophobicContact CG1-CD1 3.66Å; V12-L39 HydrophobicContact CG1-CG 4.4Å |
| 13 | L | 81.9 | Confident | 65.8 | Low | 37 Ų | 37 | 93.3 Ų | 93.3 | 19% | 0.194 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 171.9 | -172.1 | 70.1 | 0 | 0 | 0 | 112 | S11 I16 K17 E49 I50 M53 | S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.29Å; L13-I16 PolarHBondContact O-N 2.78Å; L13-K17 PolarHBondContact O-N 3.41Å; L13-E49 HydrophobicContact CD1-CB 4.41Å; L13-E49 HydrophobicContact CD2-CB 4.38Å; L13-I50 HydrophobicContact CD1-CB 4.31Å; L13-I50 HydrophobicContact CD1-CG1 3.72Å; L13-M53 HydrophobicContact CD1-CB 3.94Å; L13-M53 HydrophobicContact CD1-CE 4.4Å; L13-M53 HydrophobicContact CD1-CG 4.16Å |
| 14 | Q | 78.9 | Confident | 68.3 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 41% | 0.407 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.5 | -36.2 | 177.7 | -154.9 | 73.2 | -4.9 | 0 | 0 | 111.8 | S11 V12 K17 N18 | S11-Q14 WeakPolarHBondContact O-CB 3.04Å; S11-Q14 PolarHBondContact O-N 2.86Å; S11-Q14 PolarHBondContact OG-N 3.23Å; V12-Q14 VanDerWaalsContact C-N 3.27Å; V12-Q14 PolarHBondContact O-N 2.72Å; Q14-K17 PolarHBondContact O-N 2.98Å; Q14-N18 WeakPolarHBondContact O-CB 3.49Å; Q14-N18 PolarHBondContact O-N 3.43Å; Q14-N18 PolarHBondContact O-ND2 3.06Å; Q14-N18 PolarHBondContact O-OD1 3.4Å |
| 15 | K | 82.2 | Confident | 70.2 | Confident | 76 Ų | 76 | 79.9 Ų | 79.9 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 171.6 | -61.6 | 177.3 | -164.9 | 177.4 | 0 | 111.8 | C10 S11 V12 N18 I19 I37 | C10-K15 WeakPolarHBondContact O-CE 3.36Å; S11-K15 PolarHBondContact O-N 2.9Å; V12-K15 WeakPolarHBondContact O-CB 3.36Å; V12-K15 PolarHBondContact O-N 2.72Å; V12-K15 VanDerWaalsContact O-N 3.13Å; K15-N18 PolarHBondContact O-N 2.68Å; K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 2.67Å; K15-I19 VanDerWaalsContact O-N 3.12Å; K15-I37 HydrophobicContact CB-CB 4.22Å; K15-I37 HydrophobicContact CB-CD1 4.5Å; K15-I37 HydrophobicContact CB-CG2 4.08Å; K15-I37 HydrophobicContact CD-CB 3.85Å; K15-I37 HydrophobicContact CD-CG2 4.3Å; K15-I37 PolarHBondContact NZ-O 2.87Å |
| 16 | I | 83.9 | Confident | 73 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 177.1 | -65.2 | 170 | 0 | 0 | 0 | 110.2 | V12 L13 N18 I19 G20 F23 I37 L39 I50 M53 M54 W80 | V12-I16 HydrophobicContact CG1-CD1 4.43Å; V12-I16 WeakPolarHBondContact O-CG1 3.49Å; V12-I16 PolarHBondContact O-N 3.06Å; L13-I16 PolarHBondContact O-N 2.78Å; I16-N18 VanDerWaalsContact C-N 3.27Å; I16-N18 PolarHBondContact O-N 3.47Å; I16-I19 PolarHBondContact O-N 3.09Å; I16-G20 PolarHBondContact O-N 3.39Å; I16-F23 HydrophobicContact CD1-CE1 4.15Å; I16-F23 HydrophobicContact CD1-CE2 4.5Å; I16-F23 HydrophobicContact CD1-CZ 3.94Å; I16-F23 HydrophobicContact CG1-CD2 4.44Å; I16-F23 HydrophobicContact CG1-CE1 4.29Å; I16-F23 HydrophobicContact CG1-CE2 4.05Å; I16-F23 HydrophobicContact CG1-CZ 3.97Å; I16-F23 HydrophobicContact CG2-CD1 3.86Å; I16-F23 HydrophobicContact CG2-CE1 4.13Å; I16-F23 HydrophobicContact CG2-CG 4.09Å; I16-I37 HydrophobicContact CD1-CD1 4.01Å; I16-I37 HydrophobicContact CG1-CD1 3.36Å; I16-L39 HydrophobicContact CD1-CD2 4.3Å; I16-I50 HydrophobicContact CD1-CD1 3.55Å; I16-I50 HydrophobicContact CD1-CG1 3.82Å; I16-I50 HydrophobicContact CD1-CG2 4.01Å; I16-M53 HydrophobicContact CB-CE 4.42Å; I16-M53 HydrophobicContact CG2-CE 3.59Å; I16-M54 HydrophobicContact CG2-CE 4.26Å; I16-W80 HydrophobicContact CG2-CH2 3.79Å; I16-W80 HydrophobicContact CG2-CZ3 3.96Å |
| 17 | K | 80.8 | Confident | 75.3 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 41% | 0.409 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.2 | -39.4 | 173.3 | -78.9 | -170.3 | 171.3 | -171 | 0 | 113.2 | L13 Q14 I19 G20 M53 | L13-K17 PolarHBondContact O-N 3.41Å; Q14-K17 PolarHBondContact O-N 2.98Å; K17-I19 VanDerWaalsContact C-N 3.3Å; K17-I19 PolarHBondContact O-N 3.01Å; K17-G20 PolarHBondContact O-N 3.12Å; K17-M53 HydrophobicContact CD-CG 4.25Å; K17-M53 HydrophobicContact CG-CG 4Å; K17-M53 HydrophobicContact CG-SD 3.96Å |
| 18 | N | 80 | Confident | 77.5 | Confident | 120 Ų | 120 | 63.9 Ų | 63.9 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.2 | -20.8 | 178 | -68.2 | -14.5 | 0 | 0 | 0 | 113.8 | Q14 K15 I16 | Q14-N18 WeakPolarHBondContact O-CB 3.49Å; Q14-N18 PolarHBondContact O-N 3.43Å; Q14-N18 PolarHBondContact O-ND2 3.06Å; Q14-N18 PolarHBondContact O-OD1 3.4Å; K15-N18 PolarHBondContact O-N 2.68Å; I16-N18 VanDerWaalsContact C-N 3.27Å; I16-N18 PolarHBondContact O-N 3.47Å |
| 19 | I | 83.3 | Confident | 79.4 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -84 | -32.5 | 171.2 | -65.5 | 166.9 | 0 | 0 | 0 | 110.8 | K15 I16 K17 A22 F23 L33 I37 | K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 2.67Å; K15-I19 VanDerWaalsContact O-N 3.12Å; I16-I19 PolarHBondContact O-N 3.09Å; K17-I19 VanDerWaalsContact C-N 3.3Å; K17-I19 PolarHBondContact O-N 3.01Å; I19-A22 HydrophobicContact CG2-CB 4.43Å; I19-F23 HydrophobicContact CB-CB 4.4Å; I19-F23 HydrophobicContact CD1-CD2 4.21Å; I19-F23 HydrophobicContact CG2-CB 3.78Å; I19-L33 HydrophobicContact CG2-CD1 4.14Å; I19-I37 HydrophobicContact CD1-CG2 3.59Å |
| 20 | G | 81.8 | Confident | 81.4 | Confident | 18 Ų | 18 | 48 Ų | 48 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | 67.8 | -163.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I16 K17 A22 F23 W80 | I16-G20 PolarHBondContact O-N 3.39Å; K17-G20 PolarHBondContact O-N 3.12Å; G20-A22 PolarHBondContact O-N 2.75Å; G20-F23 VanDerWaalsContact O-CB 3.31Å; G20-F23 WeakPolarHBondContact O-CB 3.47Å; G20-F23 PolarHBondContact O-N 3Å; G20-W80 VanDerWaalsContact O-CH2 3.29Å; G20-W80 WeakPolarHBondContact O-CH2 3.28Å; G20-W80 WeakPolarHBondContact O-CZ3 3.48Å |
| 21 | C | 80.9 | Confident | 82.7 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -53.2 | -24.8 | -172.3 | -55 | 0 | 0 | 0 | 0 | 114.5 | F23 T24 S25 E78 | C21-F23 PolarHBondContact O-N 2.88Å; C21-T24 PolarHBondContact O-N 3.14Å; C21-T24 PolarHBondContact O-OG1 3.25Å; C21-S25 PolarHBondContact O-N 3.43Å; C21-E78 HydrophobicContact CB-CB 4.1Å; C21-E78 PolarHBondContact SG-O 3.5Å |
| 22 | A | 81.5 | Confident | 83.2 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -54.4 | -31.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I19 G20 T24 S25 | I19-A22 HydrophobicContact CG2-CB 4.43Å; G20-A22 PolarHBondContact O-N 2.75Å; A22-T24 PolarHBondContact O-N 3Å; A22-S25 VanDerWaalsContact O-CB 3.27Å; A22-S25 WeakPolarHBondContact O-CB 3.45Å; A22-S25 PolarHBondContact O-N 3.44Å; A22-S25 VanDerWaalsContact O-N 3.14Å; A22-S25 PolarHBondContact O-OG 3.33Å |
| 23 | F | 85.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -58.8 | -30.3 | 174.2 | -175.6 | -97.7 | 0 | 0 | 0 | 112.7 | I16 I19 G20 C21 C30 L33 A34 I37 L39 M54 W80 F85 | I16-F23 HydrophobicContact CD1-CE1 4.15Å; I16-F23 HydrophobicContact CD1-CE2 4.5Å; I16-F23 HydrophobicContact CD1-CZ 3.94Å; I16-F23 HydrophobicContact CG1-CD2 4.44Å; I16-F23 HydrophobicContact CG1-CE1 4.29Å; I16-F23 HydrophobicContact CG1-CE2 4.05Å; I16-F23 HydrophobicContact CG1-CZ 3.97Å; I16-F23 HydrophobicContact CG2-CD1 3.86Å; I16-F23 HydrophobicContact CG2-CE1 4.13Å; I16-F23 HydrophobicContact CG2-CG 4.09Å; I19-F23 HydrophobicContact CB-CB 4.4Å; I19-F23 HydrophobicContact CD1-CD2 4.21Å; I19-F23 HydrophobicContact CG2-CB 3.78Å; G20-F23 VanDerWaalsContact O-CB 3.31Å; G20-F23 WeakPolarHBondContact O-CB 3.47Å; G20-F23 PolarHBondContact O-N 3Å; C21-F23 PolarHBondContact O-N 2.88Å; F23-C30 WeakPolarHBondContact O-CA 3.36Å; F23-C30 WeakPolarHBondContact O-CB 3.34Å; F23-C30 PolarHBondContact O-SG 2.8Å; F23-L33 HydrophobicContact CD2-CB 3.75Å; F23-L33 HydrophobicContact CE2-CB 4.04Å; F23-A34 HydrophobicContact CE2-CB 4.16Å; F23-A34 HydrophobicContact CZ-CB 4Å; F23-I37 HydrophobicContact CE2-CD1 3.8Å; F23-I37 HydrophobicContact CZ-CD1 4.34Å; F23-L39 HydrophobicContact CZ-CD2 4.32Å; F23-M54 HydrophobicContact CD1-CE 3.72Å; F23-M54 HydrophobicContact CE1-CE 3.89Å; F23-W80 HydrophobicContact CB-CZ3 4.04Å; F23-W80 HydrophobicContact CD1-CZ3 4.41Å; F23-F85 AromaticContact CE1-CD2 3.78Å; F23-F85 HydrophobicContact CE1-CD2 3.78Å; F23-F85 AromaticContact CE1-CE2 3.97Å; F23-F85 HydrophobicContact CE1-CE2 3.97Å; F23-F85 HydrophobicContact CZ-CD2 4.45Å; F23-F85 HydrophobicContact CZ-CE2 4.33Å |
| 24 | T | 86.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -102.7 | 10.4 | 178 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | C21 A22 N26 M54 W80 H81 V84 F85 | C21-T24 PolarHBondContact O-N 3.14Å; C21-T24 PolarHBondContact O-OG1 3.25Å; A22-T24 PolarHBondContact O-N 3Å; T24-N26 VanDerWaalsContact C-N 3.3Å; T24-N26 PolarHBondContact O-N 2.96Å; T24-M54 HydrophobicContact CG2-CE 3.61Å; T24-M54 HydrophobicContact CG2-SD 3.84Å; T24-W80 HydrophobicContact CG2-CE3 3.91Å; T24-W80 HydrophobicContact CG2-CZ3 4.39Å; T24-H81 WeakPolarHBondContact CB-O 3.24Å; T24-H81 PolarHBondContact OG1-N 3.49Å; T24-V84 WeakPolarHBondContact O-CG1 3.46Å; T24-F85 HydrophobicContact CG2-CB 4.19Å |
| 25 | S | 82.4 | Confident | 83.7 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -61.1 | -32 | -172.7 | 57 | 0 | 0 | 0 | 0 | 114.9 | C21 A22 | C21-S25 PolarHBondContact O-N 3.43Å; A22-S25 VanDerWaalsContact O-CB 3.27Å; A22-S25 WeakPolarHBondContact O-CB 3.45Å; A22-S25 PolarHBondContact O-N 3.44Å; A22-S25 VanDerWaalsContact O-N 3.14Å; A22-S25 PolarHBondContact O-OG 3.33Å |
| 26 | N | 87 | Confident | 83.7 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -166.1 | 163.5 | 169.6 | 66.3 | 89.1 | 0 | 0 | 0 | 109.6 | T24 A28 S29 C30 | T24-N26 VanDerWaalsContact C-N 3.3Å; T24-N26 PolarHBondContact O-N 2.96Å; N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 2.65Å; N26-A28 PolarHBondContact OD1-N 3.14Å; N26-A28 VanDerWaalsContact OD1-N 3.13Å; N26-S29 VanDerWaalsContact ND2-CB 3.32Å; N26-S29 WeakPolarHBondContact ND2-CB 3.2Å; N26-S29 PolarHBondContact ND2-OG 3.09Å; N26-S29 PolarHBondContact O-N 3.18Å; N26-S29 PolarHBondContact OD1-N 3.03Å; N26-C30 WeakPolarHBondContact O-CB 3.38Å; N26-C30 PolarHBondContact O-N 3.25Å |
| 27 | V | 86.4 | Confident | 83.6 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.1 | -42.8 | -174 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | C30 Q31 V84 E87 A88 | V27-C30 WeakPolarHBondContact O-CB 3.18Å; V27-C30 PolarHBondContact O-N 2.75Å; V27-Q31 HydrophobicContact CG1-CG 4.41Å; V27-Q31 WeakPolarHBondContact O-CB 3.21Å; V27-Q31 VanDerWaalsContact O-CG 3.26Å; V27-Q31 WeakPolarHBondContact O-CG 3.28Å; V27-Q31 PolarHBondContact O-N 3.03Å; V27-V84 HydrophobicContact CB-CG1 4.48Å; V27-V84 HydrophobicContact CG2-CG1 3.92Å; V27-V84 VanDerWaalsContact N-CG1 3.34Å; V27-E87 HydrophobicContact CG2-CB 4.19Å; V27-E87 HydrophobicContact CG2-CG 4.03Å; V27-A88 HydrophobicContact CG1-CB 4.18Å |
| 28 | A | 84.8 | Confident | 83.5 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N26 C30 Q31 Q32 | N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 2.65Å; N26-A28 PolarHBondContact OD1-N 3.14Å; N26-A28 VanDerWaalsContact OD1-N 3.13Å; A28-C30 VanDerWaalsContact C-N 3.32Å; A28-C30 PolarHBondContact O-N 3.42Å; A28-Q31 PolarHBondContact O-N 3.19Å; A28-Q32 WeakPolarHBondContact O-CB 3.49Å; A28-Q32 PolarHBondContact O-N 3.49Å |
| 29 | S | 84.3 | Confident | 83.4 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | N26 Q32 L33 | N26-S29 VanDerWaalsContact ND2-CB 3.32Å; N26-S29 WeakPolarHBondContact ND2-CB 3.2Å; N26-S29 PolarHBondContact ND2-OG 3.09Å; N26-S29 PolarHBondContact O-N 3.18Å; N26-S29 PolarHBondContact OD1-N 3.03Å; S29-Q32 PolarHBondContact O-N 2.96Å; S29-L33 VanDerWaalsContact O-CB 3.29Å; S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 WeakPolarHBondContact O-CD1 3.38Å; S29-L33 VanDerWaalsContact O-CG 3.25Å; S29-L33 WeakPolarHBondContact O-CG 3.49Å; S29-L33 PolarHBondContact O-N 3.29Å |
| 30 | C | 86.5 | Confident | 83 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 174.7 | -165.5 | 0 | 0 | 0 | 0 | 111.6 | F23 N26 V27 A28 Q32 L33 A34 V84 A88 | F23-C30 WeakPolarHBondContact O-CA 3.36Å; F23-C30 WeakPolarHBondContact O-CB 3.34Å; F23-C30 PolarHBondContact O-SG 2.8Å; N26-C30 WeakPolarHBondContact O-CB 3.38Å; N26-C30 PolarHBondContact O-N 3.25Å; V27-C30 WeakPolarHBondContact O-CB 3.18Å; V27-C30 PolarHBondContact O-N 2.75Å; A28-C30 VanDerWaalsContact C-N 3.32Å; A28-C30 PolarHBondContact O-N 3.42Å; C30-Q32 PolarHBondContact O-N 3.46Å; C30-L33 PolarHBondContact O-N 3.08Å; C30-A34 WeakPolarHBondContact O-CB 3.44Å; C30-A34 PolarHBondContact O-N 2.81Å; C30-V84 HydrophobicContact CB-CG1 4.45Å; C30-A88 HydrophobicContact CB-CB 4.02Å |
| 31 | Q | 86 | Confident | 82.9 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.4 | -72.1 | 169.5 | -14.4 | 0 | 0 | 112.6 | V27 A28 T35 A88 T92 | V27-Q31 HydrophobicContact CG1-CG 4.41Å; V27-Q31 WeakPolarHBondContact O-CB 3.21Å; V27-Q31 VanDerWaalsContact O-CG 3.26Å; V27-Q31 WeakPolarHBondContact O-CG 3.28Å; V27-Q31 PolarHBondContact O-N 3.03Å; A28-Q31 PolarHBondContact O-N 3.19Å; Q31-T35 WeakPolarHBondContact O-CB 3.36Å; Q31-T35 PolarHBondContact O-N 3.36Å; Q31-T35 PolarHBondContact O-OG1 3.05Å; Q31-A88 HydrophobicContact CG-CB 3.9Å; Q31-T92 HydrophobicContact CB-CG2 4.5Å; Q31-T92 HydrophobicContact CG-CG2 3.88Å |
| 32 | Q | 84.2 | Confident | 83.1 | Confident | 125 Ų | 125 | 50.7 Ų | 50.7 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.8 | -51.9 | 179 | -174.1 | 174 | -3.9 | 0 | 0 | 111.2 | A28 S29 C30 A34 T35 D36 | A28-Q32 WeakPolarHBondContact O-CB 3.49Å; A28-Q32 PolarHBondContact O-N 3.49Å; S29-Q32 PolarHBondContact O-N 2.96Å; C30-Q32 PolarHBondContact O-N 3.46Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 3.23Å; Q32-T35 WeakPolarHBondContact O-CB 3.48Å; Q32-T35 PolarHBondContact O-N 3.09Å; Q32-T35 VanDerWaalsContact O-N 3.1Å; Q32-D36 PolarHBondContact O-N 3.46Å |
| 33 | L | 84.5 | Confident | 83.4 | Confident | 50 Ų | 50 | 51.5 Ų | 51.5 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | -179.3 | -68.4 | 166.2 | 0 | 0 | 0 | 112.3 | I19 F23 S29 C30 T35 D36 I37 | I19-L33 HydrophobicContact CG2-CD1 4.14Å; F23-L33 HydrophobicContact CD2-CB 3.75Å; F23-L33 HydrophobicContact CE2-CB 4.04Å; S29-L33 VanDerWaalsContact O-CB 3.29Å; S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 WeakPolarHBondContact O-CD1 3.38Å; S29-L33 VanDerWaalsContact O-CG 3.25Å; S29-L33 WeakPolarHBondContact O-CG 3.49Å; S29-L33 PolarHBondContact O-N 3.29Å; C30-L33 PolarHBondContact O-N 3.08Å; L33-T35 VanDerWaalsContact C-N 3.34Å; L33-D36 PolarHBondContact O-N 3.19Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 WeakPolarHBondContact O-CG2 3.37Å; L33-I37 PolarHBondContact O-N 3.04Å |
| 34 | A | 83.7 | Confident | 83.5 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F23 C30 Q32 I37 G38 L39 | F23-A34 HydrophobicContact CE2-CB 4.16Å; F23-A34 HydrophobicContact CZ-CB 4Å; C30-A34 WeakPolarHBondContact O-CB 3.44Å; C30-A34 PolarHBondContact O-N 2.81Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 3.23Å; A34-I37 WeakPolarHBondContact O-CG1 3.41Å; A34-G38 PolarHBondContact O-N 2.69Å; A34-L39 HydrophobicContact CB-CB 4.17Å; A34-L39 HydrophobicContact CB-CD2 4.17Å; A34-L39 WeakPolarHBondContact O-CB 3.35Å; A34-L39 PolarHBondContact O-N 3.48Å |
| 35 | T | 82.6 | Confident | 83.6 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 54% | 0.54 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 175.6 | -52 | 0 | 0 | 0 | 0 | 111.1 | Q31 Q32 L33 I37 G38 | Q31-T35 WeakPolarHBondContact O-CB 3.36Å; Q31-T35 PolarHBondContact O-N 3.36Å; Q31-T35 PolarHBondContact O-OG1 3.05Å; Q32-T35 WeakPolarHBondContact O-CB 3.48Å; Q32-T35 PolarHBondContact O-N 3.09Å; Q32-T35 VanDerWaalsContact O-N 3.1Å; L33-T35 VanDerWaalsContact C-N 3.34Å; T35-I37 VanDerWaalsContact C-N 3.35Å; T35-I37 PolarHBondContact O-N 3.25Å; T35-G38 PolarHBondContact O-N 2.9Å |
| 36 | D | 81.5 | Confident | 83.9 | Confident | 114 Ų | 114 | 55.4 Ų | 55.4 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.2 | -32 | -177.8 | -70 | -26.6 | 0 | 0 | 0 | 113.3 | Q32 L33 | Q32-D36 PolarHBondContact O-N 3.46Å; L33-D36 PolarHBondContact O-N 3.19Å |
| 37 | I | 82.4 | Confident | 84.1 | Confident | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -86.2 | -12.2 | 175.8 | 67.8 | -177.9 | 0 | 0 | 0 | 114.6 | V12 K15 I16 I19 F23 L33 A34 T35 L39 | V12-I37 HydrophobicContact CG1-CD1 3.79Å; V12-I37 HydrophobicContact CG1-CG1 4.04Å; K15-I37 HydrophobicContact CB-CB 4.22Å; K15-I37 HydrophobicContact CB-CD1 4.5Å; K15-I37 HydrophobicContact CB-CG2 4.08Å; K15-I37 HydrophobicContact CD-CB 3.85Å; K15-I37 HydrophobicContact CD-CG2 4.3Å; K15-I37 PolarHBondContact NZ-O 2.87Å; I16-I37 HydrophobicContact CD1-CD1 4.01Å; I16-I37 HydrophobicContact CG1-CD1 3.36Å; I19-I37 HydrophobicContact CD1-CG2 3.59Å; F23-I37 HydrophobicContact CE2-CD1 3.8Å; F23-I37 HydrophobicContact CZ-CD1 4.34Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 WeakPolarHBondContact O-CG2 3.37Å; L33-I37 PolarHBondContact O-N 3.04Å; A34-I37 WeakPolarHBondContact O-CG1 3.41Å; T35-I37 VanDerWaalsContact C-N 3.35Å; T35-I37 PolarHBondContact O-N 3.25Å; I37-L39 HydrophobicContact CD1-CB 4.31Å; I37-L39 HydrophobicContact CG1-CB 4.11Å |
| 38 | G | 77.2 | Confident | 84.3 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 16.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | A34 T35 V40 | A34-G38 PolarHBondContact O-N 2.69Å; T35-G38 PolarHBondContact O-N 2.9Å; G38-V40 VanDerWaalsContact C-N 3.25Å; G38-V40 PolarHBondContact O-N 2.93Å |
| 39 | L | 78.2 | Confident | 84.4 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | trans | -79.3 | 69.6 | 176 | -168.9 | 83.1 | 0 | 0 | 0 | 110.7 | V12 I16 F23 A34 I37 P42 I50 F85 | V12-L39 HydrophobicContact CB-CD1 4.49Å; V12-L39 HydrophobicContact CG1-CB 3.96Å; V12-L39 HydrophobicContact CG1-CD1 3.66Å; V12-L39 HydrophobicContact CG1-CG 4.4Å; I16-L39 HydrophobicContact CD1-CD2 4.3Å; F23-L39 HydrophobicContact CZ-CD2 4.32Å; A34-L39 HydrophobicContact CB-CB 4.17Å; A34-L39 HydrophobicContact CB-CD2 4.17Å; A34-L39 WeakPolarHBondContact O-CB 3.35Å; A34-L39 PolarHBondContact O-N 3.48Å; I37-L39 HydrophobicContact CD1-CB 4.31Å; I37-L39 HydrophobicContact CG1-CB 4.11Å; L39-P42 HydrophobicContact CD1-CB 3.79Å; L39-P42 HydrophobicContact CD1-CG 4.36Å; L39-P42 HydrophobicContact CG-CB 4.1Å; L39-P42 HydrophobicContact CG-CG 4.15Å; L39-I50 HydrophobicContact CD1-CD1 3.65Å; L39-I50 HydrophobicContact CD2-CD1 4.1Å; L39-F85 HydrophobicContact CD2-CE2 3.73Å; L39-F85 HydrophobicContact CD2-CZ 4.06Å | ||
| 40 | V | 75.2 | Confident | 84.7 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -111.1 | 122.1 | -179.3 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | G38 | G38-V40 VanDerWaalsContact C-N 3.25Å; G38-V40 PolarHBondContact O-N 2.93Å |
| 41 | N | 80.2 | Confident | 84.8 | Confident | 116 Ų | 116 | 50.1 Ų | 50.1 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 51.6 | 57.1 | -171.4 | -57.8 | -18.7 | 0 | 0 | 0 | 113.4 | ||
| 42 | P | 84.4 | Confident | 84.9 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | trans | -62.3 | 145.5 | 179.5 | 28.8 | -35.4 | 0 | 0 | 0 | 111.8 | L39 E46 V47 L89 | L39-P42 HydrophobicContact CD1-CB 3.79Å; L39-P42 HydrophobicContact CD1-CG 4.36Å; L39-P42 HydrophobicContact CG-CB 4.1Å; L39-P42 HydrophobicContact CG-CG 4.15Å; P42-E46 HydrophobicContact CB-CB 4.22Å; P42-V47 HydrophobicContact CB-CG2 4Å; P42-V47 HydrophobicContact CG-CG2 3.81Å; P42-L89 HydrophobicContact CG-CD2 3.63Å | ||
| 43 | T | 88.1 | Confident | 85.1 | Confident | 68 Ų | 68 | 42.8 Ų | 42.8 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | trans | -69.6 | 158.1 | 176.2 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | S45 E46 V47 | T43-S45 PolarHBondContact O-N 3.49Å; T43-S45 VanDerWaalsContact O-N 3.15Å; T43-E46 WeakPolarHBondContact CB-OE2 3.28Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.46Å; T43-E46 PolarHBondContact N-OE2 3.21Å; T43-E46 PolarHBondContact O-N 3.25Å; T43-E46 VanDerWaalsContact O-N 3.1Å; T43-E46 WeakPolarHBondContact OG1-CG 3.15Å; T43-E46 PolarHBondContact OG1-N 2.91Å; T43-E46 PolarHBondContact OG1-OE2 3.16Å; T43-V47 WeakPolarHBondContact O-CG2 3.38Å; T43-V47 PolarHBondContact O-N 3.49Å | ||
| 44 | P | 88.4 | Confident | 85.2 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.9 | -33.7 | 174.7 | -26.5 | 34.1 | 0 | 0 | 0 | 113.7 | A48 L96 E100 V101 | P44-A48 WeakPolarHBondContact O-CB 3.14Å; P44-A48 PolarHBondContact O-N 2.75Å; P44-L96 HydrophobicContact CB-CD1 4.4Å; P44-L96 HydrophobicContact CG-CD1 3.92Å; P44-E100 HydrophobicContact CB-CB 3.89Å; P44-E100 HydrophobicContact CG-CB 3.9Å; P44-V101 HydrophobicContact CB-CG2 3.97Å |
| 45 | S | 88.6 | Confident | 85.2 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 40% | 0.399 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -48.2 | 175.3 | -162.8 | 0 | 0 | 0 | 0 | 112.5 | T43 V47 A48 E49 | T43-S45 PolarHBondContact O-N 3.49Å; T43-S45 VanDerWaalsContact O-N 3.15Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.39Å; S45-A48 PolarHBondContact O-N 3.03Å; S45-E49 PolarHBondContact O-N 3.44Å |
| 46 | E | 87.6 | Confident | 84.9 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 176 | -71.4 | 164.4 | 114 | 0 | 0 | 111.8 | P42 T43 E49 I50 | P42-E46 HydrophobicContact CB-CB 4.22Å; T43-E46 WeakPolarHBondContact CB-OE2 3.28Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.46Å; T43-E46 PolarHBondContact N-OE2 3.21Å; T43-E46 PolarHBondContact O-N 3.25Å; T43-E46 VanDerWaalsContact O-N 3.1Å; T43-E46 WeakPolarHBondContact OG1-CG 3.15Å; T43-E46 PolarHBondContact OG1-N 2.91Å; T43-E46 PolarHBondContact OG1-OE2 3.16Å; E46-E49 PolarHBondContact O-N 2.84Å; E46-I50 WeakPolarHBondContact O-CB 3.48Å; E46-I50 VanDerWaalsContact O-CD1 3.32Å; E46-I50 WeakPolarHBondContact O-CD1 3.49Å; E46-I50 WeakPolarHBondContact O-CG1 3.36Å; E46-I50 PolarHBondContact O-N 3.23Å |
| 47 | V | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | P42 T43 S45 I50 V51 F85 L89 L96 W98 V101 | P42-V47 HydrophobicContact CB-CG2 4Å; P42-V47 HydrophobicContact CG-CG2 3.81Å; T43-V47 WeakPolarHBondContact O-CG2 3.38Å; T43-V47 PolarHBondContact O-N 3.49Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.39Å; V47-I50 PolarHBondContact O-N 2.91Å; V47-V51 HydrophobicContact CG1-CG2 4.23Å; V47-V51 WeakPolarHBondContact O-CB 3.48Å; V47-V51 VanDerWaalsContact O-CG2 3.29Å; V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 2.66Å; V47-F85 HydrophobicContact CG1-CE1 4.45Å; V47-L89 HydrophobicContact CB-CD1 4.36Å; V47-L89 HydrophobicContact CG1-CD1 3.63Å; V47-L89 HydrophobicContact CG2-CD1 3.75Å; V47-L96 HydrophobicContact CB-CD2 4.41Å; V47-L96 HydrophobicContact CG1-CD2 4.2Å; V47-L96 HydrophobicContact CG2-CD1 4.4Å; V47-L96 HydrophobicContact CG2-CD2 3.91Å; V47-W98 HydrophobicContact CG1-CH2 4.46Å; V47-W98 HydrophobicContact CG1-CZ3 4.47Å; V47-V101 HydrophobicContact CB-CG1 4.49Å; V47-V101 HydrophobicContact CB-CG2 4.41Å; V47-V101 HydrophobicContact CG1-CG1 4.01Å; V47-V101 HydrophobicContact CG1-CG2 4.28Å |
| 48 | A | 90.5 | Very high | 83.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P44 S45 I50 V51 T52 V101 C104 F105 | P44-A48 WeakPolarHBondContact O-CB 3.14Å; P44-A48 PolarHBondContact O-N 2.75Å; S45-A48 PolarHBondContact O-N 3.03Å; A48-I50 PolarHBondContact O-N 3.45Å; A48-V51 PolarHBondContact O-N 2.72Å; A48-T52 VanDerWaalsContact O-CB 3.22Å; A48-T52 WeakPolarHBondContact O-CB 3.41Å; A48-T52 PolarHBondContact O-N 2.81Å; A48-T52 PolarHBondContact O-OG1 2.83Å; A48-V101 HydrophobicContact CB-CG1 4.45Å; A48-C104 HydrophobicContact CB-CB 3.67Å; A48-C104 WeakPolarHBondContact CB-O 3.27Å; A48-F105 HydrophobicContact CB-CD1 3.86Å; A48-F105 HydrophobicContact CB-CE1 3.88Å; A48-F105 HydrophobicContact CB-CG 4.48Å; A48-F105 HydrophobicContact CB-CZ 4.49Å; A48-F105 WeakPolarHBondContact O-CE1 3.46Å |
| 49 | E | 88.4 | Confident | 82 | Confident | 93 Ų | 93 | 37.6 Ų | 37.6 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 174.7 | -75.2 | -167.9 | 174 | 0 | 0 | 112.3 | L13 S45 E46 T52 M53 | L13-E49 HydrophobicContact CD1-CB 4.41Å; L13-E49 HydrophobicContact CD2-CB 4.38Å; S45-E49 PolarHBondContact O-N 3.44Å; E46-E49 PolarHBondContact O-N 2.84Å; E49-T52 PolarHBondContact O-N 2.79Å; E49-M53 WeakPolarHBondContact O-CB 3.45Å; E49-M53 PolarHBondContact O-N 2.89Å |
| 50 | I | 89.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -43.5 | -178.7 | -65.4 | 162.8 | 0 | 0 | 0 | 111 | L13 I16 L39 E46 V47 A48 M53 M54 F85 | L13-I50 HydrophobicContact CD1-CB 4.31Å; L13-I50 HydrophobicContact CD1-CG1 3.72Å; I16-I50 HydrophobicContact CD1-CD1 3.55Å; I16-I50 HydrophobicContact CD1-CG1 3.82Å; I16-I50 HydrophobicContact CD1-CG2 4.01Å; L39-I50 HydrophobicContact CD1-CD1 3.65Å; L39-I50 HydrophobicContact CD2-CD1 4.1Å; E46-I50 WeakPolarHBondContact O-CB 3.48Å; E46-I50 VanDerWaalsContact O-CD1 3.32Å; E46-I50 WeakPolarHBondContact O-CD1 3.49Å; E46-I50 WeakPolarHBondContact O-CG1 3.36Å; E46-I50 PolarHBondContact O-N 3.23Å; V47-I50 PolarHBondContact O-N 2.91Å; A48-I50 PolarHBondContact O-N 3.45Å; I50-M53 HydrophobicContact CG2-CE 4.34Å; I50-M53 WeakPolarHBondContact O-CB 3.28Å; I50-M53 PolarHBondContact O-N 2.92Å; I50-M54 HydrophobicContact CG2-CE 3.58Å; I50-M54 HydrophobicContact CG2-SD 4.24Å; I50-M54 WeakPolarHBondContact O-CG 3.37Å; I50-M54 PolarHBondContact O-N 2.66Å; I50-F85 HydrophobicContact CB-CE1 3.9Å; I50-F85 HydrophobicContact CB-CZ 4.07Å; I50-F85 HydrophobicContact CD1-CZ 3.99Å; I50-F85 HydrophobicContact CG2-CD1 4.05Å; I50-F85 HydrophobicContact CG2-CE1 3.41Å; I50-F85 VanDerWaalsContact CG2-CE1 3.41Å; I50-F85 HydrophobicContact CG2-CE2 4.3Å; I50-F85 HydrophobicContact CG2-CZ 3.55Å |
| 51 | V | 89.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.3 | 168 | 0 | 0 | 0 | 0 | 110.8 | V47 A48 M53 M54 I55 F85 F105 L121 V124 | V47-V51 HydrophobicContact CG1-CG2 4.23Å; V47-V51 WeakPolarHBondContact O-CB 3.48Å; V47-V51 VanDerWaalsContact O-CG2 3.29Å; V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 2.66Å; A48-V51 PolarHBondContact O-N 2.72Å; V51-M53 VanDerWaalsContact C-N 3.32Å; V51-M53 PolarHBondContact O-N 3.1Å; V51-M54 PolarHBondContact O-N 3.4Å; V51-I55 HydrophobicContact CG1-CD1 3.49Å; V51-I55 VanDerWaalsContact CG1-CD1 3.49Å; V51-I55 HydrophobicContact CG1-CG1 4.39Å; V51-I55 WeakPolarHBondContact O-CD1 3.46Å; V51-I55 VanDerWaalsContact O-CG1 3.27Å; V51-I55 WeakPolarHBondContact O-CG1 3.31Å; V51-I55 PolarHBondContact O-N 3.14Å; V51-F85 HydrophobicContact CG2-CD1 4.12Å; V51-F85 HydrophobicContact CG2-CE1 4.14Å; V51-F105 HydrophobicContact CB-CE1 4.2Å; V51-F105 HydrophobicContact CB-CZ 4.18Å; V51-F105 HydrophobicContact CG1-CE1 4Å; V51-F105 HydrophobicContact CG1-CZ 3.74Å; V51-L121 HydrophobicContact CG1-CD1 4.06Å; V51-V124 HydrophobicContact CG1-CG1 3.97Å; V51-V124 HydrophobicContact CG2-CG1 4.02Å |
| 52 | T | 88.2 | Confident | 76.1 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.8 | -47.4 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | A48 E49 I55 F56 F110 | A48-T52 VanDerWaalsContact O-CB 3.22Å; A48-T52 WeakPolarHBondContact O-CB 3.41Å; A48-T52 PolarHBondContact O-N 2.81Å; A48-T52 PolarHBondContact O-OG1 2.83Å; E49-T52 PolarHBondContact O-N 2.79Å; T52-I55 PolarHBondContact O-N 2.77Å; T52-F56 HydrophobicContact CG2-CD2 3.72Å; T52-F56 HydrophobicContact CG2-CE2 3.55Å; T52-F56 WeakPolarHBondContact O-CD2 3.47Å; T52-F56 PolarHBondContact O-N 3.42Å; T52-F56 VanDerWaalsContact O-N 3.13Å; T52-F110 HydrophobicContact CG2-CB 4.22Å; T52-F110 HydrophobicContact CG2-CD2 4.15Å |
| 53 | M | 86.9 | Confident | 73.3 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.054 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -49.6 | 177.5 | 178.1 | -78 | -64.4 | 0 | 0 | 112.6 | L13 I16 K17 E49 I50 V51 I55 F56 D57 W80 | L13-M53 HydrophobicContact CD1-CB 3.94Å; L13-M53 HydrophobicContact CD1-CE 4.4Å; L13-M53 HydrophobicContact CD1-CG 4.16Å; I16-M53 HydrophobicContact CB-CE 4.42Å; I16-M53 HydrophobicContact CG2-CE 3.59Å; K17-M53 HydrophobicContact CD-CG 4.25Å; K17-M53 HydrophobicContact CG-CG 4Å; K17-M53 HydrophobicContact CG-SD 3.96Å; E49-M53 WeakPolarHBondContact O-CB 3.45Å; E49-M53 PolarHBondContact O-N 2.89Å; I50-M53 HydrophobicContact CG2-CE 4.34Å; I50-M53 WeakPolarHBondContact O-CB 3.28Å; I50-M53 PolarHBondContact O-N 2.92Å; V51-M53 VanDerWaalsContact C-N 3.32Å; V51-M53 PolarHBondContact O-N 3.1Å; M53-I55 PolarHBondContact O-N 3.16Å; M53-F56 PolarHBondContact O-N 3.44Å; M53-D57 PolarHBondContact O-N 3.18Å; M53-W80 HydrophobicContact CE-CH2 3.97Å; M53-W80 HydrophobicContact CE-CZ2 4.15Å; M53-W80 HydrophobicContact CE-CZ3 4.31Å; M53-W80 HydrophobicContact SD-CH2 4.28Å; M53-W80 HydrophobicContact SD-CZ2 3.83Å |
| 54 | M | 87.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -38.8 | -179.5 | -68.8 | 176.7 | 178.1 | 0 | 0 | 112.6 | I16 F23 T24 I50 V51 F56 S58 W80 P82 F85 | I16-M54 HydrophobicContact CG2-CE 4.26Å; F23-M54 HydrophobicContact CD1-CE 3.72Å; F23-M54 HydrophobicContact CE1-CE 3.89Å; T24-M54 HydrophobicContact CG2-CE 3.61Å; T24-M54 HydrophobicContact CG2-SD 3.84Å; I50-M54 HydrophobicContact CG2-CE 3.58Å; I50-M54 HydrophobicContact CG2-SD 4.24Å; I50-M54 WeakPolarHBondContact O-CG 3.37Å; I50-M54 PolarHBondContact O-N 2.66Å; V51-M54 PolarHBondContact O-N 3.4Å; M54-F56 VanDerWaalsContact C-N 3.32Å; M54-F56 PolarHBondContact O-N 2.99Å; M54-S58 PolarHBondContact O-N 2.57Å; M54-S58 PolarHBondContact O-OG 2.85Å; M54-W80 HydrophobicContact CB-CB 4.11Å; M54-W80 HydrophobicContact CB-CD2 4.43Å; M54-W80 HydrophobicContact CB-CG 4.24Å; M54-W80 HydrophobicContact CE-CE3 3.95Å; M54-W80 HydrophobicContact CE-CZ3 3.86Å; M54-W80 HydrophobicContact CG-CB 4.41Å; M54-W80 HydrophobicContact CG-CD2 3.96Å; M54-W80 HydrophobicContact CG-CE3 3.71Å; M54-W80 HydrophobicContact CG-CG 4.29Å; M54-W80 HydrophobicContact CG-CZ3 4.25Å; M54-W80 HydrophobicContact SD-CE3 4.26Å; M54-P82 HydrophobicContact CB-CB 3.89Å; M54-P82 HydrophobicContact CB-CG 4.39Å; M54-P82 HydrophobicContact CG-CB 4.47Å; M54-P82 HydrophobicContact SD-CB 3.76Å; M54-F85 HydrophobicContact CE-CB 4.13Å; M54-F85 HydrophobicContact CE-CD1 4.16Å; M54-F85 HydrophobicContact CE-CD2 4.38Å; M54-F85 HydrophobicContact CE-CG 3.98Å; M54-F85 HydrophobicContact SD-CB 4.06Å; M54-F85 HydrophobicContact SD-CD1 4.07Å; M54-F85 HydrophobicContact SD-CG 4.21Å |
| 55 | I | 83.9 | Confident | 67.7 | Low | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 177.7 | -69.4 | 162.5 | 0 | 0 | 0 | 111.3 | V51 T52 M53 C117 L121 | V51-I55 HydrophobicContact CG1-CD1 3.49Å; V51-I55 VanDerWaalsContact CG1-CD1 3.49Å; V51-I55 HydrophobicContact CG1-CG1 4.39Å; V51-I55 WeakPolarHBondContact O-CD1 3.46Å; V51-I55 VanDerWaalsContact O-CG1 3.27Å; V51-I55 WeakPolarHBondContact O-CG1 3.31Å; V51-I55 PolarHBondContact O-N 3.14Å; T52-I55 PolarHBondContact O-N 2.77Å; M53-I55 PolarHBondContact O-N 3.16Å; I55-C117 HydrophobicContact CG2-CB 3.65Å; I55-L121 HydrophobicContact CD1-CB 3.78Å; I55-L121 HydrophobicContact CD1-CD1 3.65Å; I55-L121 HydrophobicContact CD1-CG 4.25Å |
| 56 | F | 76.2 | Confident | 64.8 | Low | 47 Ų | 47 | 61.1 Ų | 61.1 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -80.6 | -40.6 | 180 | -82.9 | -55.3 | 0 | 0 | 0 | 115.2 | T52 M53 M54 S58 D59 S109 V111 K113 | T52-F56 HydrophobicContact CG2-CD2 3.72Å; T52-F56 HydrophobicContact CG2-CE2 3.55Å; T52-F56 WeakPolarHBondContact O-CD2 3.47Å; T52-F56 PolarHBondContact O-N 3.42Å; T52-F56 VanDerWaalsContact O-N 3.13Å; M53-F56 PolarHBondContact O-N 3.44Å; M54-F56 VanDerWaalsContact C-N 3.32Å; M54-F56 PolarHBondContact O-N 2.99Å; F56-S58 PolarHBondContact O-N 2.83Å; F56-D59 WeakPolarHBondContact O-CB 3.45Å; F56-D59 PolarHBondContact O-N 3.49Å; F56-D59 VanDerWaalsContact O-N 3.09Å; F56-S109 WeakPolarHBondContact CE2-O 3.41Å; F56-V111 HydrophobicContact CE1-CB 4.31Å; F56-V111 WeakPolarHBondContact CE1-O 3.47Å; F56-V111 HydrophobicContact CZ-CB 3.84Å; F56-V111 HydrophobicContact CZ-CG2 4.42Å; F56-V111 VanDerWaalsContact CZ-N 3.33Å; F56-V111 WeakPolarHBondContact CZ-O 3.16Å; F56-K113 HydrophobicContact CD1-CD 4.2Å; F56-K113 HydrophobicContact CE1-CD 4.06Å; F56-K113 HydrophobicContact CE1-CG 4.2Å |
| 57 | D | 71.3 | Confident | 61.9 | Low | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69 | -17 | 177.9 | -89.1 | 4.3 | 0 | 0 | 0 | 111.7 | M53 D59 W80 | M53-D57 PolarHBondContact O-N 3.18Å; D57-D59 PolarHBondContact O-N 3.41Å; D57-W80 VanDerWaalsContact CB-NE1 3.3Å |
| 58 | S | 58.8 | Low | 59.6 | Low | 36 Ų | 36 | 72.6 Ų | 72.6 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.9 | 170.1 | -59.4 | 0 | 0 | 0 | 0 | 114.4 | M54 F56 S60 | M54-S58 PolarHBondContact O-N 2.57Å; M54-S58 PolarHBondContact O-OG 2.85Å; F56-S58 PolarHBondContact O-N 2.83Å; S58-S60 PolarHBondContact O-N 2.69Å |
| 59 | D | 50.3 | Low | 57.1 | Low | 39 Ų | 39 | 77.1 Ų | 77.1 | 21% | 0.209 | 42% | 0.417 | C | S | . | . | trans | -82 | 55 | -174.7 | -167.7 | 37.9 | 0 | 0 | 0 | 112.9 | F56 D57 Q61 K113 N114 | F56-D59 WeakPolarHBondContact O-CB 3.45Å; F56-D59 PolarHBondContact O-N 3.49Å; F56-D59 VanDerWaalsContact O-N 3.09Å; D57-D59 PolarHBondContact O-N 3.41Å; D59-Q61 PolarHBondContact O-N 3.43Å; D59-K113 WeakPolarHBondContact OD2-CD 3.46Å; D59-K113 WeakPolarHBondContact OD2-CE 3.36Å; D59-K113 IonicContact OD2-NZ 3.39Å; D59-K113 PolarHBondContact OD2-NZ 3.4Å; D59-N114 PolarHBondContact OD1-ND2 3.43Å | ||
| 60 | S | 41.7 | Very low | 54.5 | Low | 91 Ų | 91 | 84.6 Ų | 84.6 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 43 | -167.3 | 72.4 | 0 | 0 | 0 | 0 | 115.3 | S58 | S58-S60 PolarHBondContact O-N 2.69Š|
| 61 | Q | 36.8 | Very low | 51.7 | Low | 183 Ų | 183 | 91.6 Ų | 91.6 | 86% | 0.855 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | 9.7 | 177.1 | -74 | -159.1 | -10.9 | 0 | 0 | 115.2 | D59 A63 | D59-Q61 PolarHBondContact O-N 3.43Å; Q61-A63 VanDerWaalsContact C-N 3.32Å; Q61-A63 PolarHBondContact O-N 2.91Å |
| 62 | K | 30.8 | Very low | 48.9 | Very low | 191 Ų | 191 | 100.7 Ų | 100.7 | 83% | 0.83 | 52% | 0.521 | S | S | * | . | trans | -78.3 | 64 | 179.5 | -76.8 | -171.9 | 174.5 | 178.8 | 0 | 115 | ||||
| 63 | A | 25.3 | Very low | 46 | Very low | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | trans | -175.8 | 128.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q61 L65 | Q61-A63 VanDerWaalsContact C-N 3.32Å; Q61-A63 PolarHBondContact O-N 2.91Å; A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 HydrophobicContact CB-CD2 4.41Å; A63-L65 HydrophobicContact CB-CG 4.03Å; A63-L65 PolarHBondContact O-N 3.01Å; A63-L65 VanDerWaalsContact O-N 3.12Å | ||
| 64 | P | 27.5 | Very low | 43.2 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 90% | 0.903 | 60% | 0.6 | S | S | * | * | trans | -73.9 | 90.6 | 150 | 31.2 | -29.7 | 0 | 0 | 0 | 108.7 | ||||
| 65 | L | 31.3 | Very low | 40.3 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | trans | -66.3 | 163.3 | 172.2 | -75.2 | 166.7 | 0 | 0 | 0 | 111.7 | A63 | A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 HydrophobicContact CB-CD2 4.41Å; A63-L65 HydrophobicContact CB-CG 4.03Å; A63-L65 PolarHBondContact O-N 3.01Å; A63-L65 VanDerWaalsContact O-N 3.12Å | ||
| 66 | S | 27.7 | Very low | 37.8 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 55% | 0.545 | 68% | 0.676 | S | S | . | * | trans | -67.4 | 152.6 | -179.4 | 33.8 | 0 | 0 | 0 | 0 | 113.1 | T68 D69 | S66-T68 PolarHBondContact O-N 2.96Å; S66-T68 PolarHBondContact OG-OG1 3.11Å; S66-D69 PolarHBondContact O-N 3.29Å | ||
| 67 | F | 28 | Very low | 36 | Very low | 214 Ų | 214 | 130.2 Ų | 130.2 | 94% | 0.939 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -8 | 179.3 | -175.9 | -99.9 | 0 | 0 | 0 | 115.4 | ||
| 68 | T | 42.1 | Very low | 35.5 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -28.1 | -177.3 | 40.8 | 0 | 0 | 0 | 0 | 114.8 | S66 W70 | S66-T68 PolarHBondContact O-N 2.96Å; S66-T68 PolarHBondContact OG-OG1 3.11Å; T68-W70 VanDerWaalsContact C-N 3.32Å; T68-W70 PolarHBondContact O-N 2.94Å |
| 69 | D | 37.9 | Very low | 35.9 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 52% | 0.519 | 72% | 0.719 | S | S | . | * | trans | -92 | 5.7 | -156 | -54.5 | -8 | 0 | 0 | 0 | 113.3 | S66 L71 | S66-D69 PolarHBondContact O-N 3.29Å; D69-L71 VanDerWaalsContact C-N 3.29Å; D69-L71 PolarHBondContact O-N 3.42Å; D69-L71 VanDerWaalsContact O-N 3.13Å | ||
| 70 | W | 34.4 | Very low | 37.2 | Very low | 250 Ų | 250 | 134.3 Ų | 134.3 | 95% | 0.947 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 29.7 | -166.9 | -139 | 78.5 | 0 | 0 | 0 | 114.6 | T68 | T68-W70 VanDerWaalsContact C-N 3.32Å; T68-W70 PolarHBondContact O-N 2.94Å |
| 71 | L | 29.5 | Very low | 39.3 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -8.7 | -157.2 | -104 | 168.3 | 0 | 0 | 0 | 119.1 | D69 | D69-L71 VanDerWaalsContact C-N 3.29Å; D69-L71 PolarHBondContact O-N 3.42Å; D69-L71 VanDerWaalsContact O-N 3.13Å |
| 72 | E | 30.7 | Very low | 41.6 | Very low | 192 Ų | 192 | 125.5 Ų | 125.5 | 90% | 0.897 | 66% | 0.661 | S | S | * | * | trans | -135.8 | 125.4 | 178.6 | -66.6 | -166.2 | 163.6 | 0 | 0 | 113.9 | ||||
| 73 | D | 27.7 | Very low | 44.3 | Very low | 169 Ų | 169 | 120.2 Ų | 120.2 | 90% | 0.904 | 64% | 0.639 | S | S | * | * | trans | -70.2 | 123.7 | 179.9 | -81.6 | -57.2 | 0 | 0 | 0 | 113.6 | ||||
| 74 | K | 27.3 | Very low | 47.3 | Very low | 199 Ų | 199 | 118.7 Ų | 118.7 | 87% | 0.865 | 62% | 0.624 | S | S | * | * | trans | -142.4 | 122.3 | 154 | -75.8 | -171.2 | 179.8 | 167.5 | 0 | 111.6 | ||||
| 75 | P | 27.6 | Very low | 50.3 | Low | 126 Ų | 126 | 112.1 Ų | 112.1 | 82% | 0.818 | 58% | 0.581 | S | S | * | * | trans | -88 | 172.7 | 178.9 | 36 | -36.1 | 0 | 0 | 0 | 113.2 | ||||
| 76 | A | 30.4 | Very low | 53.1 | Low | 99 Ų | 99 | 105.9 Ų | 105.9 | 82% | 0.818 | 55% | 0.548 | S | S | * | . | trans | 69.2 | 75 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 77 | S | 40 | Very low | 56 | Low | 101 Ų | 101 | 104.6 Ų | 104.6 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | trans | -74.8 | 138.4 | 157.9 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | N79 | S77-N79 PolarHBondContact O-N 3.32Å; S77-N79 PolarHBondContact OG-OD1 3.24Å | ||
| 78 | E | 58.9 | Low | 58.8 | Low | 171 Ų | 171 | 94.6 Ų | 94.6 | 80% | 0.799 | 49% | 0.491 | S | S | * | . | trans | -79.4 | 105.5 | -178 | -60.3 | 176.7 | 139.8 | 0 | 0 | 110.7 | C21 | C21-E78 HydrophobicContact CB-CB 4.1Å; C21-E78 PolarHBondContact SG-O 3.5Å | ||
| 79 | N | 67.2 | Low | 61 | Low | 67 Ų | 67 | 90.3 Ų | 90.3 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | trans | -108.2 | 155.4 | 177.6 | -72.2 | 26.6 | 0 | 0 | 0 | 111.5 | S77 | S77-N79 PolarHBondContact O-N 3.32Å; S77-N79 PolarHBondContact OG-OD1 3.24Å | ||
| 80 | W | 79.6 | Confident | 63.2 | Low | 16 Ų | 16 | 88.8 Ų | 88.8 | 6% | 0.061 | 45% | 0.453 | C | S | . | . | trans | -72.6 | 140.7 | 172.7 | -67 | 99.2 | 0 | 0 | 0 | 111.4 | I16 G20 F23 T24 M53 M54 D57 P82 | I16-W80 HydrophobicContact CG2-CH2 3.79Å; I16-W80 HydrophobicContact CG2-CZ3 3.96Å; G20-W80 VanDerWaalsContact O-CH2 3.29Å; G20-W80 WeakPolarHBondContact O-CH2 3.28Å; G20-W80 WeakPolarHBondContact O-CZ3 3.48Å; F23-W80 HydrophobicContact CB-CZ3 4.04Å; F23-W80 HydrophobicContact CD1-CZ3 4.41Å; T24-W80 HydrophobicContact CG2-CE3 3.91Å; T24-W80 HydrophobicContact CG2-CZ3 4.39Å; M53-W80 HydrophobicContact CE-CH2 3.97Å; M53-W80 HydrophobicContact CE-CZ2 4.15Å; M53-W80 HydrophobicContact CE-CZ3 4.31Å; M53-W80 HydrophobicContact SD-CH2 4.28Å; M53-W80 HydrophobicContact SD-CZ2 3.83Å; M54-W80 HydrophobicContact CB-CB 4.11Å; M54-W80 HydrophobicContact CB-CD2 4.43Å; M54-W80 HydrophobicContact CB-CG 4.24Å; M54-W80 HydrophobicContact CE-CE3 3.95Å; M54-W80 HydrophobicContact CE-CZ3 3.86Å; M54-W80 HydrophobicContact CG-CB 4.41Å; M54-W80 HydrophobicContact CG-CD2 3.96Å; M54-W80 HydrophobicContact CG-CE3 3.71Å; M54-W80 HydrophobicContact CG-CG 4.29Å; M54-W80 HydrophobicContact CG-CZ3 4.25Å; M54-W80 HydrophobicContact SD-CE3 4.26Å; D57-W80 VanDerWaalsContact CB-NE1 3.3Å; W80-P82 WeakPolarHBondContact O-CD 3.43Å | ||
| 81 | H | 84.1 | Confident | 65.6 | Low | 87 Ų | 87 | 81.9 Ų | 81.9 | 40% | 0.403 | 43% | 0.431 | S | S | . | . | trans | -116.8 | 76.2 | 173.5 | -69.7 | -82.9 | 0 | 0 | 0 | 110.2 | T24 E83 V84 | T24-H81 WeakPolarHBondContact CB-O 3.24Å; T24-H81 PolarHBondContact OG1-N 3.49Å; H81-E83 IonicContact ND1-OE1 3.17Å; H81-E83 PolarHBondContact O-N 2.98Å; H81-V84 HydrophobicContact CB-CB 4.27Å; H81-V84 HydrophobicContact CB-CG2 3.81Å; H81-V84 VanDerWaalsContact O-CB 3.29Å; H81-V84 WeakPolarHBondContact O-CB 3.5Å; H81-V84 PolarHBondContact O-N 3.22Å | ||
| 82 | P | 85.1 | Confident | 68.1 | Low | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.019 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.7 | -19.9 | -172.3 | 29.2 | -36.4 | 0 | 0 | 0 | 113.4 | M54 W80 V84 F85 A86 S120 V124 | M54-P82 HydrophobicContact CB-CB 3.89Å; M54-P82 HydrophobicContact CB-CG 4.39Å; M54-P82 HydrophobicContact CG-CB 4.47Å; M54-P82 HydrophobicContact SD-CB 3.76Å; W80-P82 WeakPolarHBondContact O-CD 3.43Å; P82-V84 PolarHBondContact O-N 2.89Å; P82-F85 WeakPolarHBondContact O-CB 3.08Å; P82-F85 PolarHBondContact O-N 3.31Å; P82-F85 VanDerWaalsContact O-N 3.12Å; P82-A86 PolarHBondContact O-N 3.3Å; P82-S120 VanDerWaalsContact CG-OG 3.27Å; P82-S120 WeakPolarHBondContact CG-OG 3.29Å; P82-V124 HydrophobicContact CB-CG2 3.51Å; P82-V124 HydrophobicContact CG-CG2 3.67Å |
| 83 | E | 87.7 | Confident | 70.6 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -31.2 | 168.4 | 64.7 | -152.9 | 168.2 | 0 | 0 | 113 | H81 A86 E87 V127 | H81-E83 IonicContact ND1-OE1 3.17Å; H81-E83 PolarHBondContact O-N 2.98Å; E83-A86 PolarHBondContact O-N 3.06Å; E83-E87 PolarHBondContact O-N 3.41Å; E83-E87 VanDerWaalsContact O-N 3.08Å; E83-V127 HydrophobicContact CB-CG2 4.43Å |
| 84 | V | 88.4 | Confident | 73.1 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.8 | -35.1 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 111 | T24 V27 C30 H81 P82 A88 | T24-V84 WeakPolarHBondContact O-CG1 3.46Å; V27-V84 HydrophobicContact CB-CG1 4.48Å; V27-V84 HydrophobicContact CG2-CG1 3.92Å; V27-V84 VanDerWaalsContact N-CG1 3.34Å; C30-V84 HydrophobicContact CB-CG1 4.45Å; H81-V84 HydrophobicContact CB-CB 4.27Å; H81-V84 HydrophobicContact CB-CG2 3.81Å; H81-V84 VanDerWaalsContact O-CB 3.29Å; H81-V84 WeakPolarHBondContact O-CB 3.5Å; H81-V84 PolarHBondContact O-N 3.22Å; P82-V84 PolarHBondContact O-N 2.89Å; V84-A88 VanDerWaalsContact O-CB 3.31Å; V84-A88 WeakPolarHBondContact O-CB 3.46Å; V84-A88 PolarHBondContact O-N 3.01Å |
| 85 | F | 91.3 | Very high | 75.8 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 172.8 | 177.2 | -121.2 | 0 | 0 | 0 | 111.4 | F23 T24 L39 V47 I50 V51 M54 P82 A88 L89 | F23-F85 AromaticContact CE1-CD2 3.78Å; F23-F85 HydrophobicContact CE1-CD2 3.78Å; F23-F85 AromaticContact CE1-CE2 3.97Å; F23-F85 HydrophobicContact CE1-CE2 3.97Å; F23-F85 HydrophobicContact CZ-CD2 4.45Å; F23-F85 HydrophobicContact CZ-CE2 4.33Å; T24-F85 HydrophobicContact CG2-CB 4.19Å; L39-F85 HydrophobicContact CD2-CE2 3.73Å; L39-F85 HydrophobicContact CD2-CZ 4.06Å; V47-F85 HydrophobicContact CG1-CE1 4.45Å; I50-F85 HydrophobicContact CB-CE1 3.9Å; I50-F85 HydrophobicContact CB-CZ 4.07Å; I50-F85 HydrophobicContact CD1-CZ 3.99Å; I50-F85 HydrophobicContact CG2-CD1 4.05Å; I50-F85 HydrophobicContact CG2-CE1 3.41Å; I50-F85 VanDerWaalsContact CG2-CE1 3.41Å; I50-F85 HydrophobicContact CG2-CE2 4.3Å; I50-F85 HydrophobicContact CG2-CZ 3.55Å; V51-F85 HydrophobicContact CG2-CD1 4.12Å; V51-F85 HydrophobicContact CG2-CE1 4.14Å; M54-F85 HydrophobicContact CE-CB 4.13Å; M54-F85 HydrophobicContact CE-CD1 4.16Å; M54-F85 HydrophobicContact CE-CD2 4.38Å; M54-F85 HydrophobicContact CE-CG 3.98Å; M54-F85 HydrophobicContact SD-CB 4.06Å; M54-F85 HydrophobicContact SD-CD1 4.07Å; M54-F85 HydrophobicContact SD-CG 4.21Å; P82-F85 WeakPolarHBondContact O-CB 3.08Å; P82-F85 PolarHBondContact O-N 3.31Å; P82-F85 VanDerWaalsContact O-N 3.12Å; F85-A88 PolarHBondContact O-N 3.47Å; F85-L89 HydrophobicContact CD1-CD1 4.09Å; F85-L89 HydrophobicContact CD2-CD1 4.48Å; F85-L89 HydrophobicContact CD2-CG 4.25Å; F85-L89 HydrophobicContact CE1-CD1 3.62Å; F85-L89 HydrophobicContact CE1-CG 4.37Å; F85-L89 HydrophobicContact CE2-CD1 4.05Å; F85-L89 HydrophobicContact CE2-CD2 4.06Å; F85-L89 HydrophobicContact CE2-CG 3.92Å; F85-L89 HydrophobicContact CZ-CD1 3.6Å; F85-L89 HydrophobicContact CZ-CD2 4.16Å; F85-L89 HydrophobicContact CZ-CG 3.99Å; F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 WeakPolarHBondContact O-CG 3.45Å; F85-L89 PolarHBondContact O-N 2.67Å |
| 86 | A | 88.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P82 E83 A88 L89 K90 W98 V124 V127 | P82-A86 PolarHBondContact O-N 3.3Å; E83-A86 PolarHBondContact O-N 3.06Å; A86-A88 VanDerWaalsContact C-N 3.33Å; A86-A88 PolarHBondContact O-N 3.18Å; A86-L89 PolarHBondContact O-N 3.14Å; A86-K90 VanDerWaalsContact O-CB 3.27Å; A86-K90 WeakPolarHBondContact O-CB 3.23Å; A86-K90 PolarHBondContact O-N 3.29Å; A86-W98 HydrophobicContact CB-CH2 3.8Å; A86-W98 HydrophobicContact CB-CZ2 4.31Å; A86-V124 HydrophobicContact CB-CG1 4.26Å; A86-V127 HydrophobicContact CB-CB 3.89Å; A86-V127 HydrophobicContact CB-CG1 3.66Å |
| 87 | E | 88.3 | Confident | 81.4 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -32.2 | 176.5 | -174.9 | 59 | -141.2 | 0 | 0 | 111.9 | V27 E83 K90 Q91 V127 | V27-E87 HydrophobicContact CG2-CB 4.19Å; V27-E87 HydrophobicContact CG2-CG 4.03Å; E83-E87 PolarHBondContact O-N 3.41Å; E83-E87 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.24Å; E87-K90 IonicContact OE2-NZ 2.67Å; E87-K90 PolarHBondContact OE2-NZ 3.28Å; E87-Q91 WeakPolarHBondContact O-CG 3.37Å; E87-Q91 PolarHBondContact O-N 3.46Å; E87-Q91 PolarHBondContact OE1-NE2 3.36Å; E87-V127 HydrophobicContact CB-CG1 3.92Å |
| 88 | A | 87.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V27 C30 Q31 V84 F85 A86 Q91 T92 | V27-A88 HydrophobicContact CG1-CB 4.18Å; C30-A88 HydrophobicContact CB-CB 4.02Å; Q31-A88 HydrophobicContact CG-CB 3.9Å; V84-A88 VanDerWaalsContact O-CB 3.31Å; V84-A88 WeakPolarHBondContact O-CB 3.46Å; V84-A88 PolarHBondContact O-N 3.01Å; F85-A88 PolarHBondContact O-N 3.47Å; A86-A88 VanDerWaalsContact C-N 3.33Å; A86-A88 PolarHBondContact O-N 3.18Å; A88-Q91 PolarHBondContact O-N 3.26Å; A88-T92 PolarHBondContact O-N 2.96Å; A88-T92 VanDerWaalsContact O-N 3.07Å; A88-T92 PolarHBondContact O-OG1 3.43Å |
| 89 | L | 88.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.9 | -74.6 | 178.6 | 0 | 0 | 0 | 112.5 | P42 V47 F85 A86 Q91 T92 S93 L96 W98 | P42-L89 HydrophobicContact CG-CD2 3.63Å; V47-L89 HydrophobicContact CB-CD1 4.36Å; V47-L89 HydrophobicContact CG1-CD1 3.63Å; V47-L89 HydrophobicContact CG2-CD1 3.75Å; F85-L89 HydrophobicContact CD1-CD1 4.09Å; F85-L89 HydrophobicContact CD2-CD1 4.48Å; F85-L89 HydrophobicContact CD2-CG 4.25Å; F85-L89 HydrophobicContact CE1-CD1 3.62Å; F85-L89 HydrophobicContact CE1-CG 4.37Å; F85-L89 HydrophobicContact CE2-CD1 4.05Å; F85-L89 HydrophobicContact CE2-CD2 4.06Å; F85-L89 HydrophobicContact CE2-CG 3.92Å; F85-L89 HydrophobicContact CZ-CD1 3.6Å; F85-L89 HydrophobicContact CZ-CD2 4.16Å; F85-L89 HydrophobicContact CZ-CG 3.99Å; F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 WeakPolarHBondContact O-CG 3.45Å; F85-L89 PolarHBondContact O-N 2.67Å; A86-L89 PolarHBondContact O-N 3.14Å; L89-Q91 PolarHBondContact O-N 3.45Å; L89-T92 PolarHBondContact O-N 2.73Å; L89-S93 CarbonylContact O-C 2.9Å; L89-S93 WeakPolarHBondContact O-CA 3.29Å; L89-S93 PolarHBondContact O-N 3.46Å; L89-L96 HydrophobicContact CD1-CD2 4.42Å; L89-W98 HydrophobicContact CD1-CH2 4.4Å |
| 90 | K | 85.2 | Confident | 86.4 | Confident | 64 Ų | 64 | 48 Ų | 48 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59 | -27.9 | 175.9 | 173.1 | 177.3 | 153.9 | -156.8 | 0 | 113 | A86 E87 Q130 | A86-K90 VanDerWaalsContact O-CB 3.27Å; A86-K90 WeakPolarHBondContact O-CB 3.23Å; A86-K90 PolarHBondContact O-N 3.29Å; E87-K90 IonicContact OE1-NZ 3.24Å; E87-K90 IonicContact OE2-NZ 2.67Å; E87-K90 PolarHBondContact OE2-NZ 3.28Å; K90-Q130 HydrophobicContact CD-CG 4.49Å |
| 91 | Q | 84.3 | Confident | 86.9 | Confident | 106 Ų | 106 | 47.2 Ų | 47.2 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -91.2 | -30.3 | 178 | -68.2 | 176.2 | 23.5 | 0 | 0 | 113.7 | E87 A88 L89 | E87-Q91 WeakPolarHBondContact O-CG 3.37Å; E87-Q91 PolarHBondContact O-N 3.46Å; E87-Q91 PolarHBondContact OE1-NE2 3.36Å; A88-Q91 PolarHBondContact O-N 3.26Å; L89-Q91 PolarHBondContact O-N 3.45Å |
| 92 | T | 81.9 | Confident | 87.3 | Confident | 68 Ų | 68 | 43.2 Ų | 43.2 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -94.3 | -33.2 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 114 | Q31 A88 L89 P94 | Q31-T92 HydrophobicContact CB-CG2 4.5Å; Q31-T92 HydrophobicContact CG-CG2 3.88Å; A88-T92 PolarHBondContact O-N 2.96Å; A88-T92 VanDerWaalsContact O-N 3.07Å; A88-T92 PolarHBondContact O-OG1 3.43Å; L89-T92 PolarHBondContact O-N 2.73Å; T92-P94 VanDerWaalsContact C-CD 3.42Å |
| 93 | S | 82.5 | Confident | 87.5 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | trans | -130.3 | 54.6 | -172.3 | -50.9 | 0 | 0 | 0 | 0 | 112 | L89 S95 L96 | L89-S93 CarbonylContact O-C 2.9Å; L89-S93 WeakPolarHBondContact O-CA 3.29Å; L89-S93 PolarHBondContact O-N 3.46Å; S93-S95 PolarHBondContact O-N 3.32Å; S93-L96 WeakPolarHBondContact O-CB 3.39Å; S93-L96 PolarHBondContact O-N 3.02Å; S93-L96 VanDerWaalsContact O-N 3.1Å | ||
| 94 | P | 81.9 | Confident | 87.7 | Confident | 108 Ų | 108 | 44.9 Ų | 44.9 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -1.3 | -174.7 | 28.9 | -37.5 | 0 | 0 | 0 | 115.3 | T92 | T92-P94 VanDerWaalsContact C-CD 3.42Š|
| 95 | S | 83.3 | Confident | 87.9 | Confident | 114 Ų | 114 | 43.6 Ų | 43.6 | 80% | 0.797 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.1 | 174 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | S93 D97 | S93-S95 PolarHBondContact O-N 3.32Å; S95-D97 PolarHBondContact O-N 3.42Å |
| 96 | L | 87.2 | Confident | 87.9 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | trans | -72.8 | 117.5 | 177.5 | -177.2 | 73.5 | 0 | 0 | 0 | 110.6 | P44 V47 L89 S93 W98 V101 | P44-L96 HydrophobicContact CB-CD1 4.4Å; P44-L96 HydrophobicContact CG-CD1 3.92Å; V47-L96 HydrophobicContact CB-CD2 4.41Å; V47-L96 HydrophobicContact CG1-CD2 4.2Å; V47-L96 HydrophobicContact CG2-CD1 4.4Å; V47-L96 HydrophobicContact CG2-CD2 3.91Å; L89-L96 HydrophobicContact CD1-CD2 4.42Å; S93-L96 WeakPolarHBondContact O-CB 3.39Å; S93-L96 PolarHBondContact O-N 3.02Å; S93-L96 VanDerWaalsContact O-N 3.1Å; L96-W98 HydrophobicContact CD2-CZ2 4.2Å; L96-W98 PolarHBondContact O-N 3.49Å; L96-V101 HydrophobicContact CD1-CG2 4.1Å; L96-V101 HydrophobicContact CD2-CG2 3.98Å; L96-V101 HydrophobicContact CG-CG2 3.99Å | ||
| 97 | D | 88.8 | Confident | 87.7 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | trans | -79.1 | 109.5 | 172 | -171.8 | 0.1 | 0 | 0 | 0 | 110.4 | S95 S99 E100 V101 | S95-D97 PolarHBondContact O-N 3.42Å; D97-S99 PolarHBondContact O-N 2.99Å; D97-S99 WeakPolarHBondContact OD1-CA 3.49Å; D97-S99 WeakPolarHBondContact OD1-CB 3.44Å; D97-S99 PolarHBondContact OD1-N 3.24Å; D97-S99 PolarHBondContact OD1-OG 3.43Å; D97-E100 HydrophobicContact CB-CG 4.34Å; D97-E100 PolarHBondContact O-N 3.25Å; D97-V101 PolarHBondContact O-N 3.42Å; D97-V101 VanDerWaalsContact O-N 3.15Å | ||
| 98 | W | 91.5 | Very high | 87.5 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 8% | 0.076 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -14 | 175.9 | -69.1 | 84.5 | 0 | 0 | 0 | 113 | V47 A86 L89 L96 V101 I102 V124 L125 F129 | V47-W98 HydrophobicContact CG1-CH2 4.46Å; V47-W98 HydrophobicContact CG1-CZ3 4.47Å; A86-W98 HydrophobicContact CB-CH2 3.8Å; A86-W98 HydrophobicContact CB-CZ2 4.31Å; L89-W98 HydrophobicContact CD1-CH2 4.4Å; L96-W98 HydrophobicContact CD2-CZ2 4.2Å; L96-W98 PolarHBondContact O-N 3.49Å; W98-V101 HydrophobicContact CE3-CB 4.32Å; W98-V101 HydrophobicContact CE3-CG1 4.2Å; W98-V101 HydrophobicContact CE3-CG2 4.38Å; W98-V101 HydrophobicContact CZ3-CG1 4.45Å; W98-V101 PolarHBondContact O-N 3.16Å; W98-I102 WeakPolarHBondContact O-CG1 3.3Å; W98-I102 PolarHBondContact O-N 2.91Å; W98-V124 HydrophobicContact CH2-CG1 4.45Å; W98-V124 HydrophobicContact CZ3-CG1 4Å; W98-L125 HydrophobicContact CE3-CD2 4.21Å; W98-F129 VanDerWaalsContact C-CZ 3.41Å; W98-F129 HydrophobicContact CB-CD1 4.45Å; W98-F129 HydrophobicContact CB-CD2 3.92Å; W98-F129 HydrophobicContact CB-CE1 4.05Å; W98-F129 HydrophobicContact CB-CE2 3.46Å; W98-F129 VanDerWaalsContact CB-CE2 3.46Å; W98-F129 HydrophobicContact CB-CG 4.4Å; W98-F129 HydrophobicContact CB-CZ 3.54Å |
| 99 | S | 89.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 169 | -40.9 | 0 | 0 | 0 | 0 | 111.3 | D97 I102 L103 | D97-S99 PolarHBondContact O-N 2.99Å; D97-S99 WeakPolarHBondContact OD1-CA 3.49Å; D97-S99 WeakPolarHBondContact OD1-CB 3.44Å; D97-S99 PolarHBondContact OD1-N 3.24Å; D97-S99 PolarHBondContact OD1-OG 3.43Å; S99-I102 PolarHBondContact O-N 2.91Å; S99-L103 WeakPolarHBondContact O-CG 3.3Å; S99-L103 PolarHBondContact O-N 3.34Å |
| 100 | E | 88.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 51% | 0.514 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 171.9 | -67.5 | -167.3 | 153 | 0 | 0 | 110.9 | P44 D97 I102 L103 C104 | P44-E100 HydrophobicContact CB-CB 3.89Å; P44-E100 HydrophobicContact CG-CB 3.9Å; D97-E100 HydrophobicContact CB-CG 4.34Å; D97-E100 PolarHBondContact O-N 3.25Å; E100-I102 VanDerWaalsContact C-N 3.28Å; E100-I102 PolarHBondContact O-N 3.11Å; E100-L103 CarbonylContact O-C 3.09Å; E100-L103 PolarHBondContact O-N 3.28Å; E100-L103 VanDerWaalsContact O-N 3.1Å; E100-C104 PolarHBondContact O-N 3.31Å; E100-C104 PolarHBondContact O-SG 3.03Å; E100-C104 VanDerWaalsContact O-SG 3.38Å |
| 101 | V | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | P44 V47 A48 L96 D97 W98 C104 F105 | P44-V101 HydrophobicContact CB-CG2 3.97Å; V47-V101 HydrophobicContact CB-CG1 4.49Å; V47-V101 HydrophobicContact CB-CG2 4.41Å; V47-V101 HydrophobicContact CG1-CG1 4.01Å; V47-V101 HydrophobicContact CG1-CG2 4.28Å; A48-V101 HydrophobicContact CB-CG1 4.45Å; L96-V101 HydrophobicContact CD1-CG2 4.1Å; L96-V101 HydrophobicContact CD2-CG2 3.98Å; L96-V101 HydrophobicContact CG-CG2 3.99Å; D97-V101 PolarHBondContact O-N 3.42Å; D97-V101 VanDerWaalsContact O-N 3.15Å; W98-V101 HydrophobicContact CE3-CB 4.32Å; W98-V101 HydrophobicContact CE3-CG1 4.2Å; W98-V101 HydrophobicContact CE3-CG2 4.38Å; W98-V101 HydrophobicContact CZ3-CG1 4.45Å; W98-V101 PolarHBondContact O-N 3.16Å; V101-C104 PolarHBondContact O-N 3.11Å; V101-F105 HydrophobicContact CG1-CE2 4.23Å; V101-F105 HydrophobicContact CG1-CZ 4.22Å; V101-F105 WeakPolarHBondContact O-CD2 3.2Å; V101-F105 PolarHBondContact O-N 3.16Å |
| 102 | I | 91.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.7 | -75.4 | 178.1 | 0 | 0 | 0 | 111.7 | W98 S99 E100 C104 F105 L125 F129 I134 P135 L138 W152 | W98-I102 WeakPolarHBondContact O-CG1 3.3Å; W98-I102 PolarHBondContact O-N 2.91Å; S99-I102 PolarHBondContact O-N 2.91Å; E100-I102 VanDerWaalsContact C-N 3.28Å; E100-I102 PolarHBondContact O-N 3.11Å; I102-C104 VanDerWaalsContact C-N 3.32Å; I102-F105 PolarHBondContact O-N 3.04Å; I102-L125 HydrophobicContact CD1-CD1 4.27Å; I102-L125 HydrophobicContact CD1-CD2 4.19Å; I102-L125 HydrophobicContact CG1-CD1 4.36Å; I102-L125 HydrophobicContact CG1-CD2 3.9Å; I102-F129 HydrophobicContact CD1-CE2 3.58Å; I102-F129 HydrophobicContact CD1-CZ 3.91Å; I102-F129 HydrophobicContact CG1-CE2 4.33Å; I102-I134 HydrophobicContact CD1-CG2 3.72Å; I102-P135 HydrophobicContact CD1-CG 4.45Å; I102-L138 HydrophobicContact CB-CD1 4.16Å; I102-L138 HydrophobicContact CG2-CB 3.92Å; I102-L138 HydrophobicContact CG2-CD1 3.93Å; I102-W152 HydrophobicContact CG1-CH2 4.33Å; I102-W152 HydrophobicContact CG2-CH2 4.39Å; I102-W152 HydrophobicContact CG2-CZ3 4.47Å |
| 103 | L | 89.5 | Confident | 87.7 | Confident | 79 Ų | 79 | 49 Ų | 49 | 41% | 0.414 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.4 | -31.4 | 176.8 | -65.4 | 171 | 0 | 0 | 0 | 111.9 | S99 E100 F105 D106 L138 | S99-L103 WeakPolarHBondContact O-CG 3.3Å; S99-L103 PolarHBondContact O-N 3.34Å; E100-L103 CarbonylContact O-C 3.09Å; E100-L103 PolarHBondContact O-N 3.28Å; E100-L103 VanDerWaalsContact O-N 3.1Å; L103-F105 PolarHBondContact O-N 3.1Å; L103-D106 VanDerWaalsContact O-CB 3.26Å; L103-D106 WeakPolarHBondContact O-CB 3.33Å; L103-D106 PolarHBondContact O-N 3.46Å; L103-D106 VanDerWaalsContact O-N 3.16Å; L103-L138 HydrophobicContact CD2-CB 4.47Å; L103-L138 HydrophobicContact CD2-CD2 4.4Å |
| 104 | C | 91.3 | Very high | 87.9 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 25% | 0.25 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -4.9 | 174.7 | -71.3 | 0 | 0 | 0 | 0 | 114.9 | A48 E100 V101 I102 D106 | A48-C104 HydrophobicContact CB-CB 3.67Å; A48-C104 WeakPolarHBondContact CB-O 3.27Å; E100-C104 PolarHBondContact O-N 3.31Å; E100-C104 PolarHBondContact O-SG 3.03Å; E100-C104 VanDerWaalsContact O-SG 3.38Å; V101-C104 PolarHBondContact O-N 3.11Å; I102-C104 VanDerWaalsContact C-N 3.32Å; C104-D106 PolarHBondContact O-N 3.2Å |
| 105 | F | 92.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.9 | 165.7 | -68.2 | -56.5 | 0 | 0 | 0 | 113.2 | A48 V51 V101 I102 L103 T107 F110 L121 L125 W143 W152 | A48-F105 HydrophobicContact CB-CD1 3.86Å; A48-F105 HydrophobicContact CB-CE1 3.88Å; A48-F105 HydrophobicContact CB-CG 4.48Å; A48-F105 HydrophobicContact CB-CZ 4.49Å; A48-F105 WeakPolarHBondContact O-CE1 3.46Å; V51-F105 HydrophobicContact CB-CE1 4.2Å; V51-F105 HydrophobicContact CB-CZ 4.18Å; V51-F105 HydrophobicContact CG1-CE1 4Å; V51-F105 HydrophobicContact CG1-CZ 3.74Å; V101-F105 HydrophobicContact CG1-CE2 4.23Å; V101-F105 HydrophobicContact CG1-CZ 4.22Å; V101-F105 WeakPolarHBondContact O-CD2 3.2Å; V101-F105 PolarHBondContact O-N 3.16Å; I102-F105 PolarHBondContact O-N 3.04Å; L103-F105 PolarHBondContact O-N 3.1Å; F105-T107 PolarHBondContact O-N 3.13Å; F105-F110 HydrophobicContact CB-CD1 4.13Å; F105-F110 HydrophobicContact CB-CD2 4.03Å; F105-F110 HydrophobicContact CB-CE1 4.19Å; F105-F110 HydrophobicContact CB-CE2 4.09Å; F105-F110 HydrophobicContact CB-CG 4.03Å; F105-F110 HydrophobicContact CB-CZ 4.15Å; F105-F110 AromaticContact CD1-CD2 3.41Å; F105-F110 HydrophobicContact CD1-CD2 3.41Å; F105-F110 VanDerWaalsContact CD1-CD2 3.41Å; F105-F110 AromaticContact CD1-CE2 3.46Å; F105-F110 HydrophobicContact CD1-CE2 3.46Å; F105-F110 VanDerWaalsContact CD1-CE2 3.46Å; F105-F110 HydrophobicContact CD1-CG 4.2Å; F105-F110 HydrophobicContact CD1-CZ 4.29Å; F105-F110 HydrophobicContact CD2-CE2 4.33Å; F105-F110 HydrophobicContact CD2-CZ 4.48Å; F105-F110 HydrophobicContact CE1-CD2 4.11Å; F105-F110 AromaticContact CE1-CE2 3.92Å; F105-F110 HydrophobicContact CE1-CE2 3.92Å; F105-F110 AromaticContact CG-CD2 3.91Å; F105-F110 HydrophobicContact CG-CD2 3.91Å; F105-F110 AromaticContact CG-CE2 3.71Å; F105-F110 HydrophobicContact CG-CE2 3.71Å; F105-F110 HydrophobicContact CG-CG 4.42Å; F105-F110 HydrophobicContact CG-CZ 4.08Å; F105-F110 WeakPolarHBondContact O-CB 3.44Å; F105-L121 HydrophobicContact CE2-CD1 3.95Å; F105-L121 HydrophobicContact CZ-CD1 3.82Å; F105-L125 HydrophobicContact CE2-CD2 4.42Å; F105-W143 HydrophobicContact CB-CH2 3.86Å; F105-W143 HydrophobicContact CB-CZ3 4.15Å; F105-W152 HydrophobicContact CB-CZ3 4.46Å; F105-W152 HydrophobicContact CD2-CH2 4.2Å; F105-W152 AromaticContact CD2-CZ3 3.87Å; F105-W152 HydrophobicContact CD2-CZ3 3.87Å |
| 106 | D | 92.2 | Very high | 88.2 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | trans | -71.3 | 69.8 | 171.8 | -168.7 | 0.4 | 0 | 0 | 0 | 111.6 | L103 C104 W143 E144 N145 | L103-D106 VanDerWaalsContact O-CB 3.26Å; L103-D106 WeakPolarHBondContact O-CB 3.33Å; L103-D106 PolarHBondContact O-N 3.46Å; L103-D106 VanDerWaalsContact O-N 3.16Å; C104-D106 PolarHBondContact O-N 3.2Å; D106-W143 HydrophobicContact CB-CB 4.48Å; D106-W143 HydrophobicContact CB-CD2 3.97Å; D106-W143 HydrophobicContact CB-CE3 3.73Å; D106-W143 HydrophobicContact CB-CG 4.34Å; D106-W143 HydrophobicContact CB-CZ3 4.24Å; D106-W143 VanDerWaalsContact OD2-CA 3.29Å; D106-W143 WeakPolarHBondContact OD2-CA 3.48Å; D106-W143 WeakPolarHBondContact OD2-CB 3.46Å; D106-E144 PolarHBondContact OD1-N 3.22Å; D106-E144 PolarHBondContact OD2-N 3.37Å; D106-N145 PolarHBondContact O-ND2 3.45Å; D106-N145 VanDerWaalsContact O-ND2 3.14Å; D106-N145 VanDerWaalsContact OD1-CB 3.23Å; D106-N145 WeakPolarHBondContact OD1-CB 3.42Å; D106-N145 PolarHBondContact OD1-N 2.84Å; D106-N145 PolarHBondContact OD1-ND2 3.03Å | ||
| 107 | T | 84.4 | Confident | 88.2 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -137.7 | 152 | 175.2 | 73.2 | 0 | 0 | 0 | 0 | 110 | F105 S109 F110 | F105-T107 PolarHBondContact O-N 3.13Å; T107-S109 PolarHBondContact O-N 2.9Å; T107-S109 PolarHBondContact OG1-N 2.65Å; T107-S109 PolarHBondContact OG1-OG 3.39Å; T107-F110 PolarHBondContact O-N 2.94Å |
| 108 | P | 83.5 | Confident | 88.3 | Confident | 113 Ų | 113 | 43.6 Ų | 43.6 | 73% | 0.734 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 2.3 | 176.8 | 31.4 | -35.7 | 0 | 0 | 0 | 113.1 | N145 | P108-N145 VanDerWaalsContact CD-OD1 3.28Å; P108-N145 WeakPolarHBondContact CD-OD1 3.39Å |
| 109 | S | 82.2 | Confident | 88.1 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -26.3 | 174.5 | 78.6 | 0 | 0 | 0 | 0 | 113 | F56 T107 | F56-S109 WeakPolarHBondContact CE2-O 3.41Å; T107-S109 PolarHBondContact O-N 2.9Å; T107-S109 PolarHBondContact OG1-N 2.65Å; T107-S109 PolarHBondContact OG1-OG 3.39Å |
| 110 | F | 90.6 | Very high | 88 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | trans | -89.5 | 121.7 | -171.6 | 176.9 | -92.2 | 0 | 0 | 0 | 112 | T52 F105 T107 I112 L121 A148 W152 | T52-F110 HydrophobicContact CG2-CB 4.22Å; T52-F110 HydrophobicContact CG2-CD2 4.15Å; F105-F110 HydrophobicContact CB-CD1 4.13Å; F105-F110 HydrophobicContact CB-CD2 4.03Å; F105-F110 HydrophobicContact CB-CE1 4.19Å; F105-F110 HydrophobicContact CB-CE2 4.09Å; F105-F110 HydrophobicContact CB-CG 4.03Å; F105-F110 HydrophobicContact CB-CZ 4.15Å; F105-F110 AromaticContact CD1-CD2 3.41Å; F105-F110 HydrophobicContact CD1-CD2 3.41Å; F105-F110 VanDerWaalsContact CD1-CD2 3.41Å; F105-F110 AromaticContact CD1-CE2 3.46Å; F105-F110 HydrophobicContact CD1-CE2 3.46Å; F105-F110 VanDerWaalsContact CD1-CE2 3.46Å; F105-F110 HydrophobicContact CD1-CG 4.2Å; F105-F110 HydrophobicContact CD1-CZ 4.29Å; F105-F110 HydrophobicContact CD2-CE2 4.33Å; F105-F110 HydrophobicContact CD2-CZ 4.48Å; F105-F110 HydrophobicContact CE1-CD2 4.11Å; F105-F110 AromaticContact CE1-CE2 3.92Å; F105-F110 HydrophobicContact CE1-CE2 3.92Å; F105-F110 AromaticContact CG-CD2 3.91Å; F105-F110 HydrophobicContact CG-CD2 3.91Å; F105-F110 AromaticContact CG-CE2 3.71Å; F105-F110 HydrophobicContact CG-CE2 3.71Å; F105-F110 HydrophobicContact CG-CG 4.42Å; F105-F110 HydrophobicContact CG-CZ 4.08Å; F105-F110 WeakPolarHBondContact O-CB 3.44Å; T107-F110 PolarHBondContact O-N 2.94Å; F110-I112 HydrophobicContact CE1-CD1 4.35Å; F110-I112 HydrophobicContact CE1-CG1 3.99Å; F110-I112 HydrophobicContact CZ-CD1 3.94Å; F110-I112 HydrophobicContact CZ-CG1 3.83Å; F110-L121 HydrophobicContact CE2-CD2 4.09Å; F110-L121 HydrophobicContact CZ-CD2 3.68Å; F110-A148 HydrophobicContact CB-CB 4.49Å; F110-A148 HydrophobicContact CD1-CB 4.15Å; F110-A148 VanDerWaalsContact O-CA 3.3Å; F110-A148 WeakPolarHBondContact O-CA 3.5Å; F110-A148 WeakPolarHBondContact O-CB 3.09Å; F110-W152 HydrophobicContact CE1-CB 4.41Å; F110-W152 HydrophobicContact CE1-CD2 4.27Å; F110-W152 AromaticContact CE1-CE3 3.64Å; F110-W152 HydrophobicContact CE1-CE3 3.64Å; F110-W152 HydrophobicContact CE1-CZ3 4.3Å; F110-W152 HydrophobicContact CZ-CD2 4.2Å; F110-W152 AromaticContact CZ-CE3 3.66Å; F110-W152 HydrophobicContact CZ-CE3 3.66Å; F110-W152 HydrophobicContact CZ-CZ3 4.01Å | ||
| 111 | V | 87.5 | Confident | 88.1 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | trans | -148.5 | 118.5 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | F56 K113 S151 | F56-V111 HydrophobicContact CE1-CB 4.31Å; F56-V111 WeakPolarHBondContact CE1-O 3.47Å; F56-V111 HydrophobicContact CZ-CB 3.84Å; F56-V111 HydrophobicContact CZ-CG2 4.42Å; F56-V111 VanDerWaalsContact CZ-N 3.33Å; F56-V111 WeakPolarHBondContact CZ-O 3.16Å; V111-K113 PolarHBondContact O-N 3.14Å; V111-S151 WeakPolarHBondContact CA-OG 3.29Å | ||
| 112 | I | 88.2 | Confident | 88.1 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | trans | -83 | 110.2 | 174.2 | -46.5 | -166.2 | 0 | 0 | 0 | 109.5 | F110 C117 L118 L121 S151 W152 Q155 | F110-I112 HydrophobicContact CE1-CD1 4.35Å; F110-I112 HydrophobicContact CE1-CG1 3.99Å; F110-I112 HydrophobicContact CZ-CD1 3.94Å; F110-I112 HydrophobicContact CZ-CG1 3.83Å; I112-C117 HydrophobicContact CG2-CB 3.76Å; I112-L118 HydrophobicContact CD1-CD1 4.05Å; I112-L118 HydrophobicContact CG2-CB 3.91Å; I112-L121 HydrophobicContact CD1-CD2 3.43Å; I112-L121 VanDerWaalsContact CD1-CD2 3.43Å; I112-L121 HydrophobicContact CG1-CD2 4.45Å; I112-S151 PolarHBondContact N-OG 2.93Å; I112-W152 HydrophobicContact CD1-CB 3.76Å; I112-W152 HydrophobicContact CD1-CD2 3.85Å; I112-W152 HydrophobicContact CD1-CG 3.38Å; I112-W152 HydrophobicContact CG1-CB 4.18Å; I112-W152 HydrophobicContact CG1-CG 4.3Å; I112-Q155 HydrophobicContact CB-CB 4.45Å; I112-Q155 HydrophobicContact CB-CG 4.17Å; I112-Q155 HydrophobicContact CG2-CB 4.08Å; I112-Q155 HydrophobicContact CG2-CG 3.92Å; I112-Q155 VanDerWaalsContact O-CG 3.28Å; I112-Q155 WeakPolarHBondContact O-CG 3.35Å | ||
| 113 | K | 83.7 | Confident | 88 | Confident | 90 Ų | 90 | 42 Ų | 42 | 39% | 0.391 | 25% | 0.247 | S | C | . | . | trans | -84.4 | -33.9 | -173.9 | -66.7 | 167.8 | 176.5 | 162.7 | 0 | 115.1 | F56 D59 V111 | F56-K113 HydrophobicContact CD1-CD 4.2Å; F56-K113 HydrophobicContact CE1-CD 4.06Å; F56-K113 HydrophobicContact CE1-CG 4.2Å; D59-K113 WeakPolarHBondContact OD2-CD 3.46Å; D59-K113 WeakPolarHBondContact OD2-CE 3.36Å; D59-K113 IonicContact OD2-NZ 3.39Å; D59-K113 PolarHBondContact OD2-NZ 3.4Å; V111-K113 PolarHBondContact O-N 3.14Å | ||
| 114 | N | 85.7 | Confident | 88 | Confident | 53 Ų | 53 | 38.3 Ų | 38.3 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -157.4 | 169.9 | -168.8 | 62.2 | 53.8 | 0 | 0 | 0 | 112.2 | D59 G116 C117 L118 Q155 | D59-N114 PolarHBondContact OD1-ND2 3.43Å; N114-G116 PolarHBondContact O-N 2.81Å; N114-G116 VanDerWaalsContact O-N 3.15Å; N114-G116 VanDerWaalsContact OD1-CA 3.31Å; N114-G116 WeakPolarHBondContact OD1-CA 3.33Å; N114-G116 PolarHBondContact OD1-N 3.11Å; N114-C117 PolarHBondContact O-N 3.21Å; N114-C117 VanDerWaalsContact O-N 3.12Å; N114-C117 PolarHBondContact OD1-N 3.15Å; N114-L118 PolarHBondContact O-N 3.48Å; N114-Q155 VanDerWaalsContact C-OE1 3.23Å; N114-Q155 VanDerWaalsContact CA-OE1 3.24Å |
| 115 | R | 89.3 | Confident | 88 | Confident | 116 Ų | 116 | 36.5 Ų | 36.5 | 44% | 0.438 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54 | -30.3 | 177 | -166.4 | -178.8 | 177.6 | -74.7 | 3.6 | 113.8 | S119 N159 D161 V162 | R115-S119 VanDerWaalsContact O-CB 3.23Å; R115-S119 WeakPolarHBondContact O-CB 3.3Å; R115-S119 PolarHBondContact O-N 2.85Å; R115-N159 VanDerWaalsContact CB-OD1 3.31Å; R115-N159 WeakPolarHBondContact CB-OD1 3.27Å; R115-N159 VanDerWaalsContact CD-OD1 3.23Å; R115-N159 WeakPolarHBondContact CD-OD1 3.11Å; R115-N159 HydrophobicContact CG-CB 4.21Å; R115-N159 WeakPolarHBondContact CG-OD1 3.24Å; R115-D161 IonicContact CZ-OD2 3.74Å; R115-D161 IonicContact NE-OD1 2.59Å; R115-D161 IonicContact NE-OD2 2.7Å; R115-D161 PolarHBondContact NE-OD2 2.94Å; R115-D161 IonicContact NH2-OD2 3.28Å; R115-D161 PolarHBondContact NH2-OD2 2.94Å; R115-V162 HydrophobicContact CG-CG2 3.89Å; R115-V162 VanDerWaalsContact CZ-CG2 3.46Å |
| 116 | G | 83.8 | Confident | 87.8 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 46% | 0.464 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.1 | -49.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N114 L118 S119 S120 | N114-G116 PolarHBondContact O-N 2.81Å; N114-G116 VanDerWaalsContact O-N 3.15Å; N114-G116 VanDerWaalsContact OD1-CA 3.31Å; N114-G116 WeakPolarHBondContact OD1-CA 3.33Å; N114-G116 PolarHBondContact OD1-N 3.11Å; G116-L118 VanDerWaalsContact C-N 3.32Å; G116-L118 PolarHBondContact O-N 3.13Å; G116-S119 PolarHBondContact O-N 3.14Å; G116-S120 WeakPolarHBondContact O-CB 3.35Å; G116-S120 PolarHBondContact O-N 3.29Å |
| 117 | C | 87.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58 | -44.5 | 173.5 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | I55 I112 N114 S120 L121 | I55-C117 HydrophobicContact CG2-CB 3.65Å; I112-C117 HydrophobicContact CG2-CB 3.76Å; N114-C117 PolarHBondContact O-N 3.21Å; N114-C117 VanDerWaalsContact O-N 3.12Å; N114-C117 PolarHBondContact OD1-N 3.15Å; C117-S120 PolarHBondContact O-N 2.8Å; C117-L121 PolarHBondContact O-N 3.2Å |
| 118 | L | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -52.9 | 176.3 | -176.9 | 67.4 | 0 | 0 | 0 | 111 | I112 N114 G116 S120 L121 M122 Q155 I156 N159 V162 | I112-L118 HydrophobicContact CD1-CD1 4.05Å; I112-L118 HydrophobicContact CG2-CB 3.91Å; N114-L118 PolarHBondContact O-N 3.48Å; G116-L118 VanDerWaalsContact C-N 3.32Å; G116-L118 PolarHBondContact O-N 3.13Å; L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.86Å; L118-L121 PolarHBondContact O-N 2.74Å; L118-M122 HydrophobicContact CD1-CG 4.09Å; L118-M122 HydrophobicContact CD1-SD 4.42Å; L118-M122 HydrophobicContact CG-CG 4.19Å; L118-M122 WeakPolarHBondContact O-CB 3.49Å; L118-M122 VanDerWaalsContact O-CG 3.26Å; L118-M122 WeakPolarHBondContact O-CG 3.45Å; L118-M122 PolarHBondContact O-N 3.47Å; L118-Q155 HydrophobicContact CD2-CB 4.29Å; L118-I156 HydrophobicContact CD1-CG1 4.04Å; L118-I156 HydrophobicContact CD2-CG1 4.47Å; L118-N159 HydrophobicContact CD2-CB 4.12Å; L118-V162 HydrophobicContact CD2-CB 4.3Å; L118-V162 HydrophobicContact CD2-CG1 4.23Å; L118-V162 HydrophobicContact CG-CG1 4.3Å |
| 119 | S | 89.1 | Confident | 88 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 32% | 0.315 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.7 | -36.6 | -178.6 | -169 | 0 | 0 | 0 | 0 | 112.2 | R115 G116 S123 | R115-S119 VanDerWaalsContact O-CB 3.23Å; R115-S119 WeakPolarHBondContact O-CB 3.3Å; R115-S119 PolarHBondContact O-N 2.85Å; G116-S119 PolarHBondContact O-N 3.14Å; S119-S123 PolarHBondContact O-N 2.84Å; S119-S123 PolarHBondContact O-OG 3.47Å |
| 120 | S | 86.9 | Confident | 88.1 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.4 | -46.7 | 176.6 | -168.8 | 0 | 0 | 0 | 0 | 111.7 | P82 G116 C117 L118 M122 S123 V124 | P82-S120 VanDerWaalsContact CG-OG 3.27Å; P82-S120 WeakPolarHBondContact CG-OG 3.29Å; G116-S120 WeakPolarHBondContact O-CB 3.35Å; G116-S120 PolarHBondContact O-N 3.29Å; C117-S120 PolarHBondContact O-N 2.8Å; L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.86Å; S120-M122 PolarHBondContact O-N 3.43Å; S120-S123 PolarHBondContact O-N 2.79Å; S120-V124 VanDerWaalsContact O-CG2 3.31Å; S120-V124 WeakPolarHBondContact O-CG2 3.44Å; S120-V124 PolarHBondContact O-N 2.91Å |
| 121 | L | 91.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 174.1 | -177.1 | 63 | 0 | 0 | 0 | 112.1 | V51 I55 F105 F110 I112 C117 L118 S123 V124 L125 W152 | V51-L121 HydrophobicContact CG1-CD1 4.06Å; I55-L121 HydrophobicContact CD1-CB 3.78Å; I55-L121 HydrophobicContact CD1-CD1 3.65Å; I55-L121 HydrophobicContact CD1-CG 4.25Å; F105-L121 HydrophobicContact CE2-CD1 3.95Å; F105-L121 HydrophobicContact CZ-CD1 3.82Å; F110-L121 HydrophobicContact CE2-CD2 4.09Å; F110-L121 HydrophobicContact CZ-CD2 3.68Å; I112-L121 HydrophobicContact CD1-CD2 3.43Å; I112-L121 VanDerWaalsContact CD1-CD2 3.43Å; I112-L121 HydrophobicContact CG1-CD2 4.45Å; C117-L121 PolarHBondContact O-N 3.2Å; L118-L121 PolarHBondContact O-N 2.74Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 3.09Å; L121-V124 WeakPolarHBondContact O-CB 3.47Å; L121-V124 PolarHBondContact O-N 3.48Å; L121-L125 HydrophobicContact CD1-CD1 4.06Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CD2-CD1 4.47Å; L121-L125 HydrophobicContact CG-CD1 3.89Å; L121-L125 HydrophobicContact CG-CG 4.36Å; L121-L125 WeakPolarHBondContact O-CB 3.08Å; L121-L125 WeakPolarHBondContact O-CG 3.41Å; L121-L125 PolarHBondContact O-N 3.36Å; L121-W152 HydrophobicContact CD2-CD2 4.05Å; L121-W152 HydrophobicContact CD2-CE3 4.35Å; L121-W152 HydrophobicContact CD2-CH2 3.88Å; L121-W152 HydrophobicContact CD2-CZ2 3.52Å; L121-W152 HydrophobicContact CD2-CZ3 4.26Å; L121-W152 HydrophobicContact CG-CZ2 4.26Å |
| 122 | M | 90.3 | Very high | 87.4 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 179.7 | -65 | -51.9 | -59.6 | 0 | 0 | 111.7 | L118 S120 S126 I134 V162 V163 | L118-M122 HydrophobicContact CD1-CG 4.09Å; L118-M122 HydrophobicContact CD1-SD 4.42Å; L118-M122 HydrophobicContact CG-CG 4.19Å; L118-M122 WeakPolarHBondContact O-CB 3.49Å; L118-M122 VanDerWaalsContact O-CG 3.26Å; L118-M122 WeakPolarHBondContact O-CG 3.45Å; L118-M122 PolarHBondContact O-N 3.47Å; S120-M122 PolarHBondContact O-N 3.43Å; M122-S126 VanDerWaalsContact O-CB 3.27Å; M122-S126 WeakPolarHBondContact O-CB 3.47Å; M122-S126 PolarHBondContact O-N 3.41Å; M122-I134 HydrophobicContact CE-CD1 3.42Å; M122-I134 VanDerWaalsContact CE-CD1 3.42Å; M122-V162 HydrophobicContact CG-CG1 4.38Å; M122-V163 HydrophobicContact CE-CB 4Å; M122-V163 HydrophobicContact CE-CG1 4.06Å; M122-V163 HydrophobicContact CE-CG2 3.8Å; M122-V163 HydrophobicContact SD-CG1 4.41Å |
| 123 | S | 88.5 | Confident | 86.8 | Confident | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 169.6 | -71 | 0 | 0 | 0 | 0 | 112.2 | S119 S120 L121 L125 S126 V127 | S119-S123 PolarHBondContact O-N 2.84Å; S119-S123 PolarHBondContact O-OG 3.47Å; S120-S123 PolarHBondContact O-N 2.79Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 3.09Å; S123-L125 PolarHBondContact O-N 3.3Å; S123-S126 PolarHBondContact O-N 2.84Å; S123-V127 WeakPolarHBondContact O-CG2 3.31Å; S123-V127 PolarHBondContact O-N 2.89Å |
| 124 | V | 90.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 177.4 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | V51 P82 A86 W98 S120 L121 V127 G128 | V51-V124 HydrophobicContact CG1-CG1 3.97Å; V51-V124 HydrophobicContact CG2-CG1 4.02Å; P82-V124 HydrophobicContact CB-CG2 3.51Å; P82-V124 HydrophobicContact CG-CG2 3.67Å; A86-V124 HydrophobicContact CB-CG1 4.26Å; W98-V124 HydrophobicContact CH2-CG1 4.45Å; W98-V124 HydrophobicContact CZ3-CG1 4Å; S120-V124 VanDerWaalsContact O-CG2 3.31Å; S120-V124 WeakPolarHBondContact O-CG2 3.44Å; S120-V124 PolarHBondContact O-N 2.91Å; L121-V124 WeakPolarHBondContact O-CB 3.47Å; L121-V124 PolarHBondContact O-N 3.48Å; V124-V127 PolarHBondContact O-N 3.23Å; V124-G128 PolarHBondContact O-N 3.44Å |
| 125 | L | 90.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 179.5 | -66.5 | 174.9 | 0 | 0 | 0 | 111.8 | W98 I102 F105 L121 S123 V127 G128 F129 I134 W152 | W98-L125 HydrophobicContact CE3-CD2 4.21Å; I102-L125 HydrophobicContact CD1-CD1 4.27Å; I102-L125 HydrophobicContact CD1-CD2 4.19Å; I102-L125 HydrophobicContact CG1-CD1 4.36Å; I102-L125 HydrophobicContact CG1-CD2 3.9Å; F105-L125 HydrophobicContact CE2-CD2 4.42Å; L121-L125 HydrophobicContact CD1-CD1 4.06Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CD2-CD1 4.47Å; L121-L125 HydrophobicContact CG-CD1 3.89Å; L121-L125 HydrophobicContact CG-CG 4.36Å; L121-L125 WeakPolarHBondContact O-CB 3.08Å; L121-L125 WeakPolarHBondContact O-CG 3.41Å; L121-L125 PolarHBondContact O-N 3.36Å; S123-L125 PolarHBondContact O-N 3.3Å; L125-V127 VanDerWaalsContact C-N 3.35Å; L125-V127 PolarHBondContact O-N 3.01Å; L125-G128 PolarHBondContact O-N 3.16Å; L125-F129 HydrophobicContact CB-CD2 4.47Å; L125-F129 HydrophobicContact CD2-CE2 4.33Å; L125-F129 WeakPolarHBondContact O-CB 3.32Å; L125-F129 WeakPolarHBondContact O-CD2 3.36Å; L125-F129 PolarHBondContact O-N 3.14Å; L125-I134 HydrophobicContact CB-CD1 3.54Å; L125-I134 HydrophobicContact CB-CG1 4.02Å; L125-I134 HydrophobicContact CD1-CG2 4.38Å; L125-W152 HydrophobicContact CD1-CH2 3.7Å; L125-W152 HydrophobicContact CD1-CZ2 3.6Å |
| 126 | S | 89.3 | Confident | 86.4 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 173.6 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | M122 S123 Q130 N131 | M122-S126 VanDerWaalsContact O-CB 3.27Å; M122-S126 WeakPolarHBondContact O-CB 3.47Å; M122-S126 PolarHBondContact O-N 3.41Å; S123-S126 PolarHBondContact O-N 2.84Å; S126-Q130 CarbonylContact O-C 3.43Å; S126-Q130 PolarHBondContact O-N 3.43Å; S126-Q130 VanDerWaalsContact O-N 3.15Å; S126-N131 PolarHBondContact O-N 3.09Å; S126-N131 PolarHBondContact O-OD1 3.42Å; S126-N131 PolarHBondContact OG-OD1 3.39Å |
| 127 | V | 88.7 | Confident | 86.3 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | E83 A86 E87 S123 V124 L125 Q130 | E83-V127 HydrophobicContact CB-CG2 4.43Å; A86-V127 HydrophobicContact CB-CB 3.89Å; A86-V127 HydrophobicContact CB-CG1 3.66Å; E87-V127 HydrophobicContact CB-CG1 3.92Å; S123-V127 WeakPolarHBondContact O-CG2 3.31Å; S123-V127 PolarHBondContact O-N 2.89Å; V124-V127 PolarHBondContact O-N 3.23Å; L125-V127 VanDerWaalsContact C-N 3.35Å; L125-V127 PolarHBondContact O-N 3.01Å; V127-Q130 PolarHBondContact O-N 3.16Å; V127-Q130 VanDerWaalsContact O-N 3.15Å |
| 128 | G | 86.5 | Confident | 86.3 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -50.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V124 L125 Q130 | V124-G128 PolarHBondContact O-N 3.44Å; L125-G128 PolarHBondContact O-N 3.16Å; G128-Q130 PolarHBondContact O-N 2.92Å |
| 129 | F | 88.4 | Confident | 86.3 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 11.7 | 172.5 | -72.9 | -83.2 | 0 | 0 | 0 | 113.3 | W98 I102 L125 N131 E132 I134 P135 | W98-F129 VanDerWaalsContact C-CZ 3.41Å; W98-F129 HydrophobicContact CB-CD1 4.45Å; W98-F129 HydrophobicContact CB-CD2 3.92Å; W98-F129 HydrophobicContact CB-CE1 4.05Å; W98-F129 HydrophobicContact CB-CE2 3.46Å; W98-F129 VanDerWaalsContact CB-CE2 3.46Å; W98-F129 HydrophobicContact CB-CG 4.4Å; W98-F129 HydrophobicContact CB-CZ 3.54Å; I102-F129 HydrophobicContact CD1-CE2 3.58Å; I102-F129 HydrophobicContact CD1-CZ 3.91Å; I102-F129 HydrophobicContact CG1-CE2 4.33Å; L125-F129 HydrophobicContact CB-CD2 4.47Å; L125-F129 HydrophobicContact CD2-CE2 4.33Å; L125-F129 WeakPolarHBondContact O-CB 3.32Å; L125-F129 WeakPolarHBondContact O-CD2 3.36Å; L125-F129 PolarHBondContact O-N 3.14Å; F129-N131 PolarHBondContact O-N 3.42Å; F129-N131 VanDerWaalsContact O-N 3.12Å; F129-E132 VanDerWaalsContact O-CB 3.31Å; F129-E132 WeakPolarHBondContact O-CB 3.41Å; F129-E132 PolarHBondContact O-N 3.17Å; F129-I134 HydrophobicContact CD2-CG1 4Å; F129-I134 HydrophobicContact CD2-CG2 4.47Å; F129-I134 HydrophobicContact CE2-CG2 4.36Å; F129-I134 HydrophobicContact CG-CG1 4.46Å; F129-P135 VanDerWaalsContact CE1-CD 3.46Å; F129-P135 HydrophobicContact CE1-CG 3.79Å; F129-P135 HydrophobicContact CZ-CG 3.68Å |
| 130 | Q | 84.9 | Confident | 86.2 | Confident | 136 Ų | 136 | 45 Ų | 45 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 26.3 | 174.8 | -46.3 | -173 | 44 | 0 | 0 | 114.8 | K90 S126 V127 G128 E132 | K90-Q130 HydrophobicContact CD-CG 4.49Å; S126-Q130 CarbonylContact O-C 3.43Å; S126-Q130 PolarHBondContact O-N 3.43Å; S126-Q130 VanDerWaalsContact O-N 3.15Å; V127-Q130 PolarHBondContact O-N 3.16Å; V127-Q130 VanDerWaalsContact O-N 3.15Å; G128-Q130 PolarHBondContact O-N 2.92Å; Q130-E132 VanDerWaalsContact C-N 3.31Å |
| 131 | N | 80.7 | Confident | 86.2 | Confident | 122 Ų | 122 | 47.6 Ų | 47.6 | 65% | 0.652 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 17.6 | -170.9 | -45.6 | -64.4 | 0 | 0 | 0 | 115.2 | S126 F129 | S126-N131 PolarHBondContact O-N 3.09Å; S126-N131 PolarHBondContact O-OD1 3.42Å; S126-N131 PolarHBondContact OG-OD1 3.39Å; F129-N131 PolarHBondContact O-N 3.42Å; F129-N131 VanDerWaalsContact O-N 3.12Å |
| 132 | E | 81.6 | Confident | 85.9 | Confident | 145 Ų | 145 | 55.5 Ų | 55.5 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -70.1 | 153.2 | 158.9 | -65.3 | -154.5 | 162.5 | 0 | 0 | 110.9 | F129 Q130 I134 | F129-E132 VanDerWaalsContact O-CB 3.31Å; F129-E132 WeakPolarHBondContact O-CB 3.41Å; F129-E132 PolarHBondContact O-N 3.17Å; Q130-E132 VanDerWaalsContact C-N 3.31Å; E132-I134 PolarHBondContact O-N 3.42Å; E132-I134 VanDerWaalsContact O-N 3.13Å |
| 133 | P | 76.7 | Confident | 85.9 | Confident | 101 Ų | 101 | 55.2 Ų | 55.2 | 66% | 0.656 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 116.3 | -179.5 | 24.6 | -34.6 | 0 | 0 | 0 | 111.7 | Y168 | P133-Y168 HydrophobicContact CB-CD1 4.36Å; P133-Y168 HydrophobicContact CB-CE1 3.88Å |
| 134 | I | 83.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 131.7 | 179.8 | -64.6 | 158.5 | 0 | 0 | 0 | 109.9 | I102 M122 L125 F129 E132 L136 Y168 | I102-I134 HydrophobicContact CD1-CG2 3.72Å; M122-I134 HydrophobicContact CE-CD1 3.42Å; M122-I134 VanDerWaalsContact CE-CD1 3.42Å; L125-I134 HydrophobicContact CB-CD1 3.54Å; L125-I134 HydrophobicContact CB-CG1 4.02Å; L125-I134 HydrophobicContact CD1-CG2 4.38Å; F129-I134 HydrophobicContact CD2-CG1 4Å; F129-I134 HydrophobicContact CD2-CG2 4.47Å; F129-I134 HydrophobicContact CE2-CG2 4.36Å; F129-I134 HydrophobicContact CG-CG1 4.46Å; E132-I134 PolarHBondContact O-N 3.42Å; E132-I134 VanDerWaalsContact O-N 3.13Å; I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 HydrophobicContact CG2-CD2 4.04Å; I134-L136 PolarHBondContact O-N 2.88Å; I134-Y168 WeakPolarHBondContact O-CD1 3.25Å; I134-Y168 WeakPolarHBondContact O-CE1 3.29Å |
| 135 | P | 83.4 | Confident | 85.8 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | trans | -76 | 70.5 | -171.9 | 30.8 | -36.8 | 0 | 0 | 0 | 112.7 | I102 F129 K137 L138 | I102-P135 HydrophobicContact CD1-CG 4.45Å; F129-P135 VanDerWaalsContact CE1-CD 3.46Å; F129-P135 HydrophobicContact CE1-CG 3.79Å; F129-P135 HydrophobicContact CZ-CG 3.68Å; P135-K137 HydrophobicContact CB-CG 4.46Å; P135-K137 PolarHBondContact O-N 3.17Å; P135-L138 HydrophobicContact CB-CD1 4.4Å; P135-L138 HydrophobicContact CB-CG 4.44Å; P135-L138 HydrophobicContact CG-CD1 3.89Å; P135-L138 HydrophobicContact CG-CG 4.44Å; P135-L138 WeakPolarHBondContact O-CB 3.19Å; P135-L138 WeakPolarHBondContact O-CG 3.49Å; P135-L138 PolarHBondContact O-N 3.43Å | ||
| 136 | L | 82 | Confident | 85.8 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -57.1 | -14.3 | -178.8 | -61.8 | -170.3 | 0 | 0 | 0 | 114.3 | I134 L138 L139 F165 Y168 | I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 HydrophobicContact CG2-CD2 4.04Å; I134-L136 PolarHBondContact O-N 2.88Å; L136-L138 PolarHBondContact O-N 3.47Å; L136-L138 VanDerWaalsContact O-N 3.1Å; L136-L139 HydrophobicContact CD2-CD1 3.97Å; L136-L139 WeakPolarHBondContact O-CB 3.28Å; L136-L139 PolarHBondContact O-N 2.71Å; L136-F165 HydrophobicContact CD1-CD1 4.08Å; L136-F165 HydrophobicContact CD1-CE1 4.31Å; L136-Y168 HydrophobicContact CD1-CD1 4.28Å; L136-Y168 HydrophobicContact CD1-CD2 3.53Å; L136-Y168 HydrophobicContact CD1-CE1 4.26Å; L136-Y168 HydrophobicContact CD1-CE2 3.53Å; L136-Y168 HydrophobicContact CD1-CG 3.93Å; L136-Y168 HydrophobicContact CG-CD1 4.12Å; L136-Y168 HydrophobicContact CG-CD2 4.26Å; L136-Y168 HydrophobicContact CG-CE1 4.06Å; L136-Y168 HydrophobicContact CG-CE2 4.22Å; L136-Y168 HydrophobicContact CG-CG 4.22Å |
| 137 | K | 83 | Confident | 85.8 | Confident | 146 Ų | 146 | 69.2 Ų | 69.2 | 64% | 0.635 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -51.9 | -27.7 | 166.8 | 71.7 | 172.5 | -172.4 | 175.4 | 0 | 113.2 | P135 L139 F140 | P135-K137 HydrophobicContact CB-CG 4.46Å; P135-K137 PolarHBondContact O-N 3.17Å; K137-L139 PolarHBondContact O-N 2.91Å; K137-F140 WeakPolarHBondContact O-CB 3.46Å; K137-F140 PolarHBondContact O-N 3.35Å |
| 138 | L | 87.1 | Confident | 85.9 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -69.2 | -21 | 176.7 | -59.6 | 178.9 | 0 | 0 | 0 | 112.7 | I102 L103 P135 L136 F140 W143 | I102-L138 HydrophobicContact CB-CD1 4.16Å; I102-L138 HydrophobicContact CG2-CB 3.92Å; I102-L138 HydrophobicContact CG2-CD1 3.93Å; L103-L138 HydrophobicContact CD2-CB 4.47Å; L103-L138 HydrophobicContact CD2-CD2 4.4Å; P135-L138 HydrophobicContact CB-CD1 4.4Å; P135-L138 HydrophobicContact CB-CG 4.44Å; P135-L138 HydrophobicContact CG-CD1 3.89Å; P135-L138 HydrophobicContact CG-CG 4.44Å; P135-L138 WeakPolarHBondContact O-CB 3.19Å; P135-L138 WeakPolarHBondContact O-CG 3.49Å; P135-L138 PolarHBondContact O-N 3.43Å; L136-L138 PolarHBondContact O-N 3.47Å; L136-L138 VanDerWaalsContact O-N 3.1Å; L138-F140 VanDerWaalsContact C-N 3.33Å; L138-W143 PolarHBondContact O-NE1 2.72Å; L138-W143 VanDerWaalsContact O-NE1 3.16Å |
| 139 | L | 88.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -82.8 | -8.1 | 170.5 | -56.8 | -178.5 | 0 | 0 | 0 | 113.1 | L136 K137 W143 Q149 W152 I156 | L136-L139 HydrophobicContact CD2-CD1 3.97Å; L136-L139 WeakPolarHBondContact O-CB 3.28Å; L136-L139 PolarHBondContact O-N 2.71Å; K137-L139 PolarHBondContact O-N 2.91Å; L139-W143 HydrophobicContact CD2-CH2 4.21Å; L139-W143 HydrophobicContact CD2-CZ2 3.64Å; L139-Q149 PolarHBondContact O-NE2 2.76Å; L139-W152 HydrophobicContact CD1-CD2 4.06Å; L139-W152 HydrophobicContact CD1-CG 4.27Å; L139-W152 HydrophobicContact CD1-CZ2 4.45Å; L139-W152 HydrophobicContact CD2-CD2 3.91Å; L139-W152 HydrophobicContact CD2-CE3 3.57Å; L139-W152 HydrophobicContact CD2-CH2 4.31Å; L139-W152 HydrophobicContact CD2-CZ3 3.8Å; L139-I156 HydrophobicContact CD1-CD1 3.95Å |
| 140 | F | 87.9 | Confident | 86.5 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 17% | 0.167 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -94.1 | -6.9 | 172.4 | -55.2 | -31.9 | 0 | 0 | 0 | 112.8 | K137 L138 F165 E197 L198 I201 | K137-F140 WeakPolarHBondContact O-CB 3.46Å; K137-F140 PolarHBondContact O-N 3.35Å; L138-F140 VanDerWaalsContact C-N 3.33Å; F140-F165 AromaticContact CE1-CD1 3.76Å; F140-F165 HydrophobicContact CE1-CD1 3.76Å; F140-F165 AromaticContact CE1-CE1 3.79Å; F140-F165 HydrophobicContact CE1-CE1 3.79Å; F140-F165 AromaticContact CZ-CD1 3.75Å; F140-F165 HydrophobicContact CZ-CD1 3.75Å; F140-F165 HydrophobicContact CZ-CE1 4.21Å; F140-F165 HydrophobicContact CZ-CG 4.5Å; F140-E197 HydrophobicContact CB-CB 4.13Å; F140-E197 HydrophobicContact CD1-CB 4.26Å; F140-E197 HydrophobicContact CD2-CB 3.49Å; F140-E197 VanDerWaalsContact CD2-CB 3.49Å; F140-E197 HydrophobicContact CD2-CG 4.07Å; F140-E197 HydrophobicContact CE2-CB 3.86Å; F140-E197 HydrophobicContact CE2-CG 4.47Å; F140-E197 HydrophobicContact CG-CB 3.73Å; F140-E197 HydrophobicContact CZ-CB 4.38Å; F140-L198 HydrophobicContact CE1-CB 4.18Å; F140-I201 HydrophobicContact CD1-CG2 4.09Å |
| 141 | N | 86.5 | Confident | 86.8 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -72.8 | 152.8 | 167 | -66.5 | -24 | 0 | 0 | 0 | 110.2 | W143 Q149 | N141-W143 PolarHBondContact O-N 3.4Å; N141-Q149 PolarHBondContact O-NE2 3.1Å |
| 142 | R | 85.7 | Confident | 87.4 | Confident | 167 Ų | 167 | 55.1 Ų | 55.1 | 63% | 0.63 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 116.3 | 173.1 | -169.5 | 177.2 | -167.7 | 139.6 | 6.8 | 110.6 | I201 | R142-I201 HydrophobicContact CB-CD1 4.49Š|
| 143 | W | 89.9 | Confident | 88 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -83.3 | 156 | 175.4 | -70.4 | 24.1 | 0 | 0 | 0 | 111.2 | F105 D106 L138 L139 N141 N145 A148 Q149 W152 | F105-W143 HydrophobicContact CB-CH2 3.86Å; F105-W143 HydrophobicContact CB-CZ3 4.15Å; D106-W143 HydrophobicContact CB-CB 4.48Å; D106-W143 HydrophobicContact CB-CD2 3.97Å; D106-W143 HydrophobicContact CB-CE3 3.73Å; D106-W143 HydrophobicContact CB-CG 4.34Å; D106-W143 HydrophobicContact CB-CZ3 4.24Å; D106-W143 VanDerWaalsContact OD2-CA 3.29Å; D106-W143 WeakPolarHBondContact OD2-CA 3.48Å; D106-W143 WeakPolarHBondContact OD2-CB 3.46Å; L138-W143 PolarHBondContact O-NE1 2.72Å; L138-W143 VanDerWaalsContact O-NE1 3.16Å; L139-W143 HydrophobicContact CD2-CH2 4.21Å; L139-W143 HydrophobicContact CD2-CZ2 3.64Å; N141-W143 PolarHBondContact O-N 3.4Å; W143-N145 VanDerWaalsContact C-N 3.35Å; W143-A148 HydrophobicContact CE3-CB 4.4Å; W143-A148 HydrophobicContact CZ3-CB 4.36Å; W143-Q149 HydrophobicContact CB-CB 4.1Å; W143-Q149 HydrophobicContact CB-CG 4.45Å; W143-Q149 VanDerWaalsContact CB-OE1 3.31Å; W143-Q149 HydrophobicContact CD2-CB 3.81Å; W143-Q149 HydrophobicContact CD2-CG 4Å; W143-Q149 HydrophobicContact CE3-CB 3.78Å; W143-Q149 HydrophobicContact CE3-CG 4.41Å; W143-Q149 HydrophobicContact CG-CB 3.95Å; W143-Q149 HydrophobicContact CG-CG 4Å; W143-W152 AromaticContact CH2-CE3 3.94Å; W143-W152 HydrophobicContact CH2-CE3 3.94Å; W143-W152 AromaticContact CH2-CZ3 3.98Å; W143-W152 HydrophobicContact CH2-CZ3 3.98Å; W143-W152 HydrophobicContact CZ2-CZ3 4.47Å |
| 144 | E | 87.7 | Confident | 88.7 | Confident | 175 Ų | 175 | 44.5 Ų | 44.5 | 82% | 0.818 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -71.6 | -30.2 | 172.3 | -67 | -159.9 | 160.8 | 0 | 0 | 111.9 | D106 P146 | D106-E144 PolarHBondContact OD1-N 3.22Å; D106-E144 PolarHBondContact OD2-N 3.37Å; E144-P146 VanDerWaalsContact C-CD 3.41Å; E144-P146 WeakPolarHBondContact O-CD 3.43Å |
| 145 | N | 89.2 | Confident | 89.1 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 23% | 0.225 | 22% | 0.215 | C | C | . | . | trans | -108.4 | 77.5 | 177.2 | -57.7 | -89.7 | 0 | 0 | 0 | 110.6 | D106 P108 W143 E147 A148 Q149 | D106-N145 PolarHBondContact O-ND2 3.45Å; D106-N145 VanDerWaalsContact O-ND2 3.14Å; D106-N145 VanDerWaalsContact OD1-CB 3.23Å; D106-N145 WeakPolarHBondContact OD1-CB 3.42Å; D106-N145 PolarHBondContact OD1-N 2.84Å; D106-N145 PolarHBondContact OD1-ND2 3.03Å; P108-N145 VanDerWaalsContact CD-OD1 3.28Å; P108-N145 WeakPolarHBondContact CD-OD1 3.39Å; W143-N145 VanDerWaalsContact C-N 3.35Å; N145-E147 PolarHBondContact O-N 3.22Å; N145-E147 VanDerWaalsContact O-N 3.08Å; N145-A148 HydrophobicContact CB-CB 4.13Å; N145-A148 WeakPolarHBondContact O-CB 3.3Å; N145-A148 PolarHBondContact O-N 2.92Å; N145-Q149 PolarHBondContact O-N 3.35Å | ||
| 146 | P | 90 | Very high | 89.5 | Confident | 29 Ų | 29 | 43.8 Ų | 43.8 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -17.5 | -175.9 | 25.3 | -35.4 | 0 | 0 | 0 | 114.1 | E144 L150 I205 L211 | E144-P146 VanDerWaalsContact C-CD 3.41Å; E144-P146 WeakPolarHBondContact O-CD 3.43Å; P146-L150 WeakPolarHBondContact O-CB 3.42Å; P146-L150 PolarHBondContact O-N 3.06Å; P146-I205 HydrophobicContact CB-CG1 4.28Å; P146-I205 HydrophobicContact CB-CG2 4.22Å; P146-L211 HydrophobicContact CB-CD1 3.79Å; P146-L211 HydrophobicContact CG-CD1 3.89Å |
| 147 | E | 90 | Very high | 90 | Very high | 125 Ų | 125 | 45.1 Ų | 45.1 | 58% | 0.584 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.5 | -44.3 | 169.9 | -76.6 | 179.2 | -163.1 | 0 | 0 | 112.2 | N145 S151 L211 | N145-E147 PolarHBondContact O-N 3.22Å; N145-E147 VanDerWaalsContact O-N 3.08Å; E147-S151 WeakPolarHBondContact O-CB 3.13Å; E147-S151 PolarHBondContact O-N 3.33Å; E147-L211 HydrophobicContact CG-CD1 3.99Å; E147-L211 HydrophobicContact CG-CD2 3.45Å; E147-L211 VanDerWaalsContact CG-CD2 3.45Å; E147-L211 HydrophobicContact CG-CG 4.32Å |
| 148 | A | 90.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -49.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F110 W143 N145 S151 W152 | F110-A148 HydrophobicContact CB-CB 4.49Å; F110-A148 HydrophobicContact CD1-CB 4.15Å; F110-A148 VanDerWaalsContact O-CA 3.3Å; F110-A148 WeakPolarHBondContact O-CA 3.5Å; F110-A148 WeakPolarHBondContact O-CB 3.09Å; W143-A148 HydrophobicContact CE3-CB 4.4Å; W143-A148 HydrophobicContact CZ3-CB 4.36Å; N145-A148 HydrophobicContact CB-CB 4.13Å; N145-A148 WeakPolarHBondContact O-CB 3.3Å; N145-A148 PolarHBondContact O-N 2.92Å; A148-S151 PolarHBondContact O-N 2.98Å; A148-S151 PolarHBondContact O-OG 3.41Å; A148-W152 PolarHBondContact O-N 3.39Å |
| 149 | Q | 93.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 176.7 | -170.4 | 178.1 | 9.7 | 0 | 0 | 112.4 | L139 N141 W143 N145 S151 W152 I153 I205 | L139-Q149 PolarHBondContact O-NE2 2.76Å; N141-Q149 PolarHBondContact O-NE2 3.1Å; W143-Q149 HydrophobicContact CB-CB 4.1Å; W143-Q149 HydrophobicContact CB-CG 4.45Å; W143-Q149 VanDerWaalsContact CB-OE1 3.31Å; W143-Q149 HydrophobicContact CD2-CB 3.81Å; W143-Q149 HydrophobicContact CD2-CG 4Å; W143-Q149 HydrophobicContact CE3-CB 3.78Å; W143-Q149 HydrophobicContact CE3-CG 4.41Å; W143-Q149 HydrophobicContact CG-CB 3.95Å; W143-Q149 HydrophobicContact CG-CG 4Å; N145-Q149 PolarHBondContact O-N 3.35Å; Q149-S151 VanDerWaalsContact C-N 3.31Å; Q149-S151 PolarHBondContact O-N 3.35Å; Q149-W152 PolarHBondContact O-N 3.38Å; Q149-I153 HydrophobicContact CG-CD1 3.89Å; Q149-I153 WeakPolarHBondContact O-CG1 3.24Å; Q149-I153 PolarHBondContact O-N 2.9Å; Q149-I205 HydrophobicContact CG-CD1 4.11Å |
| 150 | L | 93.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -34.8 | -179.1 | -177.3 | 59.2 | 0 | 0 | 0 | 112.2 | P146 W152 I153 S154 L202 I205 L211 A214 V215 | P146-L150 WeakPolarHBondContact O-CB 3.42Å; P146-L150 PolarHBondContact O-N 3.06Å; L150-W152 VanDerWaalsContact C-N 3.32Å; L150-W152 PolarHBondContact O-N 2.96Å; L150-I153 PolarHBondContact O-N 3.36Å; L150-S154 WeakPolarHBondContact O-CB 3.41Å; L150-S154 PolarHBondContact O-N 3.42Å; L150-L202 HydrophobicContact CD1-CD2 4.03Å; L150-I205 HydrophobicContact CB-CG2 4.23Å; L150-I205 HydrophobicContact CD1-CG2 4.43Å; L150-I205 HydrophobicContact CD2-CG2 4.1Å; L150-I205 HydrophobicContact CG-CG2 4.49Å; L150-L211 HydrophobicContact CD2-CB 4.16Å; L150-A214 HydrophobicContact CD2-CB 3.93Å; L150-V215 HydrophobicContact CD1-CG2 3.94Å; L150-V215 HydrophobicContact CD2-CG2 3.7Å; L150-V215 HydrophobicContact CG-CG2 4.49Å |
| 151 | S | 92 | Very high | 90 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 176.2 | 79.8 | 0 | 0 | 0 | 0 | 112.1 | V111 I112 E147 A148 Q149 Q155 | V111-S151 WeakPolarHBondContact CA-OG 3.29Å; I112-S151 PolarHBondContact N-OG 2.93Å; E147-S151 WeakPolarHBondContact O-CB 3.13Å; E147-S151 PolarHBondContact O-N 3.33Å; A148-S151 PolarHBondContact O-N 2.98Å; A148-S151 PolarHBondContact O-OG 3.41Å; Q149-S151 VanDerWaalsContact C-N 3.31Å; Q149-S151 PolarHBondContact O-N 3.35Å; S151-Q155 WeakPolarHBondContact O-CG 3.43Å; S151-Q155 PolarHBondContact O-N 3.45Å; S151-Q155 VanDerWaalsContact O-N 3.11Å |
| 152 | W | 93.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.2 | -50.7 | 177.9 | -164.6 | -12.4 | 0 | 0 | 0 | 110.7 | I102 F105 F110 I112 L121 L125 L139 W143 A148 Q149 L150 S154 Q155 I156 | I102-W152 HydrophobicContact CG1-CH2 4.33Å; I102-W152 HydrophobicContact CG2-CH2 4.39Å; I102-W152 HydrophobicContact CG2-CZ3 4.47Å; F105-W152 HydrophobicContact CB-CZ3 4.46Å; F105-W152 HydrophobicContact CD2-CH2 4.2Å; F105-W152 AromaticContact CD2-CZ3 3.87Å; F105-W152 HydrophobicContact CD2-CZ3 3.87Å; F110-W152 HydrophobicContact CE1-CB 4.41Å; F110-W152 HydrophobicContact CE1-CD2 4.27Å; F110-W152 AromaticContact CE1-CE3 3.64Å; F110-W152 HydrophobicContact CE1-CE3 3.64Å; F110-W152 HydrophobicContact CE1-CZ3 4.3Å; F110-W152 HydrophobicContact CZ-CD2 4.2Å; F110-W152 AromaticContact CZ-CE3 3.66Å; F110-W152 HydrophobicContact CZ-CE3 3.66Å; F110-W152 HydrophobicContact CZ-CZ3 4.01Å; I112-W152 HydrophobicContact CD1-CB 3.76Å; I112-W152 HydrophobicContact CD1-CD2 3.85Å; I112-W152 HydrophobicContact CD1-CG 3.38Å; I112-W152 HydrophobicContact CG1-CB 4.18Å; I112-W152 HydrophobicContact CG1-CG 4.3Å; L121-W152 HydrophobicContact CD2-CD2 4.05Å; L121-W152 HydrophobicContact CD2-CE3 4.35Å; L121-W152 HydrophobicContact CD2-CH2 3.88Å; L121-W152 HydrophobicContact CD2-CZ2 3.52Å; L121-W152 HydrophobicContact CD2-CZ3 4.26Å; L121-W152 HydrophobicContact CG-CZ2 4.26Å; L125-W152 HydrophobicContact CD1-CH2 3.7Å; L125-W152 HydrophobicContact CD1-CZ2 3.6Å; L139-W152 HydrophobicContact CD1-CD2 4.06Å; L139-W152 HydrophobicContact CD1-CG 4.27Å; L139-W152 HydrophobicContact CD1-CZ2 4.45Å; L139-W152 HydrophobicContact CD2-CD2 3.91Å; L139-W152 HydrophobicContact CD2-CE3 3.57Å; L139-W152 HydrophobicContact CD2-CH2 4.31Å; L139-W152 HydrophobicContact CD2-CZ3 3.8Å; W143-W152 AromaticContact CH2-CE3 3.94Å; W143-W152 HydrophobicContact CH2-CE3 3.94Å; W143-W152 AromaticContact CH2-CZ3 3.98Å; W143-W152 HydrophobicContact CH2-CZ3 3.98Å; W143-W152 HydrophobicContact CZ2-CZ3 4.47Å; A148-W152 PolarHBondContact O-N 3.39Å; Q149-W152 PolarHBondContact O-N 3.38Å; L150-W152 VanDerWaalsContact C-N 3.32Å; L150-W152 PolarHBondContact O-N 2.96Å; W152-S154 VanDerWaalsContact C-N 3.35Å; W152-S154 PolarHBondContact O-N 3.25Å; W152-Q155 PolarHBondContact O-N 3.41Å; W152-I156 WeakPolarHBondContact O-CG1 3.36Å; W152-I156 PolarHBondContact O-N 3.26Å |
| 153 | I | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 178.9 | -63.9 | 172.9 | 0 | 0 | 0 | 110.7 | Q149 L150 Q155 I156 L157 F165 L198 I201 L202 I205 | Q149-I153 HydrophobicContact CG-CD1 3.89Å; Q149-I153 WeakPolarHBondContact O-CG1 3.24Å; Q149-I153 PolarHBondContact O-N 2.9Å; L150-I153 PolarHBondContact O-N 3.36Å; I153-Q155 PolarHBondContact O-N 2.97Å; I153-I156 WeakPolarHBondContact O-CB 3.13Å; I153-I156 PolarHBondContact O-N 3.1Å; I153-L157 HydrophobicContact CG2-CD1 4.08Å; I153-L157 HydrophobicContact CG2-CG 4.37Å; I153-L157 WeakPolarHBondContact O-CG 3.28Å; I153-L157 PolarHBondContact O-N 3.38Å; I153-F165 HydrophobicContact CB-CZ 4.47Å; I153-F165 HydrophobicContact CG1-CZ 4.25Å; I153-F165 HydrophobicContact CG2-CE2 4.12Å; I153-F165 HydrophobicContact CG2-CZ 4.11Å; I153-L198 HydrophobicContact CG2-CD1 3.98Å; I153-I201 HydrophobicContact CD1-CG2 4.22Å; I153-L202 HydrophobicContact CG2-CD2 3.95Å; I153-L202 HydrophobicContact CG2-CG 4.47Å; I153-I205 HydrophobicContact CD1-CD1 4.21Å |
| 154 | S | 92.2 | Very high | 89.8 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | -179.6 | -165.3 | 0 | 0 | 0 | 0 | 112.4 | L150 W152 L157 Q158 C218 | L150-S154 WeakPolarHBondContact O-CB 3.41Å; L150-S154 PolarHBondContact O-N 3.42Å; W152-S154 VanDerWaalsContact C-N 3.35Å; W152-S154 PolarHBondContact O-N 3.25Å; S154-L157 PolarHBondContact O-N 2.86Å; S154-Q158 WeakPolarHBondContact O-CB 3.31Å; S154-Q158 VanDerWaalsContact O-CG 3.24Å; S154-Q158 WeakPolarHBondContact O-CG 3.42Å; S154-Q158 PolarHBondContact O-N 2.86Å; S154-Q158 PolarHBondContact O-NE2 3.39Å; S154-Q158 PolarHBondContact OG-NE2 2.93Å; S154-C218 PolarHBondContact OG-SG 3.04Å; S154-C218 VanDerWaalsContact OG-SG 3.41Å |
| 155 | Q | 91.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -32.4 | 174.2 | -73.1 | -59.4 | -57.6 | 0 | 0 | 112.9 | I112 N114 L118 S151 W152 I153 Q158 N159 | I112-Q155 HydrophobicContact CB-CB 4.45Å; I112-Q155 HydrophobicContact CB-CG 4.17Å; I112-Q155 HydrophobicContact CG2-CB 4.08Å; I112-Q155 HydrophobicContact CG2-CG 3.92Å; I112-Q155 VanDerWaalsContact O-CG 3.28Å; I112-Q155 WeakPolarHBondContact O-CG 3.35Å; N114-Q155 VanDerWaalsContact C-OE1 3.23Å; N114-Q155 VanDerWaalsContact CA-OE1 3.24Å; L118-Q155 HydrophobicContact CD2-CB 4.29Å; S151-Q155 WeakPolarHBondContact O-CG 3.43Å; S151-Q155 PolarHBondContact O-N 3.45Å; S151-Q155 VanDerWaalsContact O-N 3.11Å; W152-Q155 PolarHBondContact O-N 3.41Å; I153-Q155 PolarHBondContact O-N 2.97Å; Q155-Q158 PolarHBondContact O-N 3.37Å; Q155-N159 WeakPolarHBondContact O-CB 3.39Å; Q155-N159 PolarHBondContact O-N 2.84Å; Q155-N159 VanDerWaalsContact O-N 3.11Å; Q155-N159 PolarHBondContact O-ND2 3.25Å; Q155-N159 PolarHBondContact OE1-ND2 3.04Å |
| 156 | I | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 170.5 | -68 | 172.2 | 0 | 0 | 0 | 110.3 | L118 L139 W152 I153 Q158 N159 V163 F165 | L118-I156 HydrophobicContact CD1-CG1 4.04Å; L118-I156 HydrophobicContact CD2-CG1 4.47Å; L139-I156 HydrophobicContact CD1-CD1 3.95Å; W152-I156 WeakPolarHBondContact O-CG1 3.36Å; W152-I156 PolarHBondContact O-N 3.26Å; I153-I156 WeakPolarHBondContact O-CB 3.13Å; I153-I156 PolarHBondContact O-N 3.1Å; I156-Q158 VanDerWaalsContact C-N 3.26Å; I156-Q158 PolarHBondContact O-N 3.42Å; I156-N159 CarbonylContact O-C 2.97Å; I156-N159 PolarHBondContact O-N 3.36Å; I156-N159 VanDerWaalsContact O-N 3.11Å; I156-V163 HydrophobicContact CD1-CG1 4.09Å; I156-V163 HydrophobicContact CG1-CG1 3.89Å; I156-V163 HydrophobicContact CG2-CG1 3.96Å; I156-V163 WeakPolarHBondContact CG2-O 3.23Å; I156-F165 HydrophobicContact CB-CE2 3.88Å; I156-F165 HydrophobicContact CB-CZ 4.11Å; I156-F165 HydrophobicContact CD1-CE1 4.19Å; I156-F165 HydrophobicContact CD1-CE2 4.43Å; I156-F165 HydrophobicContact CD1-CZ 3.79Å; I156-F165 HydrophobicContact CG2-CD2 3.66Å; I156-F165 HydrophobicContact CG2-CE1 4.46Å; I156-F165 HydrophobicContact CG2-CE2 3.35Å; I156-F165 HydrophobicContact CG2-CG 4.34Å; I156-F165 HydrophobicContact CG2-CZ 3.8Å |
| 157 | L | 91.9 | Very high | 89.5 | Confident | 34 Ų | 34 | 31 Ų | 31 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -31 | 179.1 | -66 | 176 | 0 | 0 | 0 | 113.4 | I153 S154 F165 T192 W193 L198 L202 C218 | I153-L157 HydrophobicContact CG2-CD1 4.08Å; I153-L157 HydrophobicContact CG2-CG 4.37Å; I153-L157 WeakPolarHBondContact O-CG 3.28Å; I153-L157 PolarHBondContact O-N 3.38Å; S154-L157 PolarHBondContact O-N 2.86Å; L157-F165 HydrophobicContact CD2-CD2 4.13Å; L157-F165 HydrophobicContact CD2-CE2 4.11Å; L157-F165 HydrophobicContact CG-CE2 4.38Å; L157-T192 HydrophobicContact CD2-CG2 3.55Å; L157-W193 HydrophobicContact CD1-CH2 3.89Å; L157-W193 HydrophobicContact CD1-CZ2 4.04Å; L157-W193 HydrophobicContact CD2-CH2 4.31Å; L157-W193 HydrophobicContact CD2-CZ2 3.94Å; L157-L198 HydrophobicContact CD2-CD2 4.07Å; L157-L202 HydrophobicContact CD1-CD1 4.2Å; L157-C218 HydrophobicContact CD1-CB 3.9Å |
| 158 | Q | 88.7 | Confident | 89.2 | Confident | 116 Ų | 116 | 27.1 Ų | 27.1 | 54% | 0.542 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -81.3 | -19.9 | 176.3 | -70.5 | 171.9 | 44.8 | 0 | 0 | 113.7 | S154 Q155 I156 P160 | S154-Q158 WeakPolarHBondContact O-CB 3.31Å; S154-Q158 VanDerWaalsContact O-CG 3.24Å; S154-Q158 WeakPolarHBondContact O-CG 3.42Å; S154-Q158 PolarHBondContact O-N 2.86Å; S154-Q158 PolarHBondContact O-NE2 3.39Å; S154-Q158 PolarHBondContact OG-NE2 2.93Å; Q155-Q158 PolarHBondContact O-N 3.37Å; I156-Q158 VanDerWaalsContact C-N 3.26Å; I156-Q158 PolarHBondContact O-N 3.42Å; Q158-P160 VanDerWaalsContact C-CD 3.49Å |
| 159 | N | 89.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | trans | -134.5 | 57.4 | -174.7 | -52.6 | -91.2 | 0 | 0 | 0 | 112.6 | R115 L118 Q155 I156 D161 V162 V163 | R115-N159 VanDerWaalsContact CB-OD1 3.31Å; R115-N159 WeakPolarHBondContact CB-OD1 3.27Å; R115-N159 VanDerWaalsContact CD-OD1 3.23Å; R115-N159 WeakPolarHBondContact CD-OD1 3.11Å; R115-N159 HydrophobicContact CG-CB 4.21Å; R115-N159 WeakPolarHBondContact CG-OD1 3.24Å; L118-N159 HydrophobicContact CD2-CB 4.12Å; Q155-N159 WeakPolarHBondContact O-CB 3.39Å; Q155-N159 PolarHBondContact O-N 2.84Å; Q155-N159 VanDerWaalsContact O-N 3.11Å; Q155-N159 PolarHBondContact O-ND2 3.25Å; Q155-N159 PolarHBondContact OE1-ND2 3.04Å; I156-N159 CarbonylContact O-C 2.97Å; I156-N159 PolarHBondContact O-N 3.36Å; I156-N159 VanDerWaalsContact O-N 3.11Å; N159-D161 VanDerWaalsContact C-OD1 3.24Å; N159-D161 WeakPolarHBondContact CA-OD1 3.48Å; N159-D161 PolarHBondContact O-N 2.72Å; N159-V162 HydrophobicContact CB-CB 4.43Å; N159-V162 HydrophobicContact CB-CG2 4.14Å; N159-V162 PolarHBondContact O-N 3.34Å; N159-V163 PolarHBondContact O-N 3.47Å | ||
| 160 | P | 85.2 | Confident | 88.4 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -1.5 | -179.2 | 29.5 | -35.3 | 0 | 0 | 0 | 114.2 | Q158 V163 K188 E189 | Q158-P160 VanDerWaalsContact C-CD 3.49Å; P160-V163 WeakPolarHBondContact CA-O 3.46Å; P160-K188 HydrophobicContact CB-CB 4.13Å; P160-K188 WeakPolarHBondContact O-CD 3.16Å; P160-E189 HydrophobicContact CG-CG 3.77Å |
| 161 | D | 83.8 | Confident | 88.1 | Confident | 110 Ų | 110 | 38.4 Ų | 38.4 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27 | 167.1 | 68.3 | -52.2 | 0 | 0 | 0 | 112.9 | R115 N159 | R115-D161 IonicContact CZ-OD2 3.74Å; R115-D161 IonicContact NE-OD1 2.59Å; R115-D161 IonicContact NE-OD2 2.7Å; R115-D161 PolarHBondContact NE-OD2 2.94Å; R115-D161 IonicContact NH2-OD2 3.28Å; R115-D161 PolarHBondContact NH2-OD2 2.94Å; N159-D161 VanDerWaalsContact C-OD1 3.24Å; N159-D161 WeakPolarHBondContact CA-OD1 3.48Å; N159-D161 PolarHBondContact O-N 2.72Å |
| 162 | V | 84.4 | Confident | 87.9 | Confident | 36 Ų | 36 | 39.6 Ų | 39.6 | 22% | 0.218 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -50 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | R115 L118 M122 N159 | R115-V162 HydrophobicContact CG-CG2 3.89Å; R115-V162 VanDerWaalsContact CZ-CG2 3.46Å; L118-V162 HydrophobicContact CD2-CB 4.3Å; L118-V162 HydrophobicContact CD2-CG1 4.23Å; L118-V162 HydrophobicContact CG-CG1 4.3Å; M122-V162 HydrophobicContact CG-CG1 4.38Å; N159-V162 HydrophobicContact CB-CB 4.43Å; N159-V162 HydrophobicContact CB-CG2 4.14Å; N159-V162 PolarHBondContact O-N 3.34Å |
| 163 | V | 86 | Confident | 87.7 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | trans | -155.2 | 143.6 | 167.2 | 98 | 0 | 0 | 0 | 0 | 109.3 | M122 I156 N159 P160 Y168 | M122-V163 HydrophobicContact CE-CB 4Å; M122-V163 HydrophobicContact CE-CG1 4.06Å; M122-V163 HydrophobicContact CE-CG2 3.8Å; M122-V163 HydrophobicContact SD-CG1 4.41Å; I156-V163 HydrophobicContact CD1-CG1 4.09Å; I156-V163 HydrophobicContact CG1-CG1 3.89Å; I156-V163 HydrophobicContact CG2-CG1 3.96Å; I156-V163 WeakPolarHBondContact CG2-O 3.23Å; N159-V163 PolarHBondContact O-N 3.47Å; P160-V163 WeakPolarHBondContact CA-O 3.46Å; V163-Y168 HydrophobicContact CG2-CE2 3.78Å | ||
| 164 | S | 86.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -125.7 | 138.6 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | S166 D167 Y168 T192 | S164-S166 WeakPolarHBondContact CB-OG 3.21Å; S164-S166 PolarHBondContact O-N 3.15Å; S164-S166 VanDerWaalsContact O-N 3.14Å; S164-S166 WeakPolarHBondContact OG-CB 3.47Å; S164-S166 PolarHBondContact OG-N 3Å; S164-S166 PolarHBondContact OG-OG 3.2Å; S164-D167 WeakPolarHBondContact CB-OD2 3.44Å; S164-D167 PolarHBondContact N-OD2 2.87Å; S164-D167 WeakPolarHBondContact O-CB 3.48Å; S164-D167 PolarHBondContact O-N 2.95Å; S164-Y168 WeakPolarHBondContact O-CD2 3.44Å; S164-T192 PolarHBondContact OG-OG1 2.85Å | ||
| 165 | F | 89.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.3 | 171.7 | -63 | -72.9 | 0 | 0 | 0 | 112 | L136 F140 I153 I156 L157 D167 Y168 T192 L198 | L136-F165 HydrophobicContact CD1-CD1 4.08Å; L136-F165 HydrophobicContact CD1-CE1 4.31Å; F140-F165 AromaticContact CE1-CD1 3.76Å; F140-F165 HydrophobicContact CE1-CD1 3.76Å; F140-F165 AromaticContact CE1-CE1 3.79Å; F140-F165 HydrophobicContact CE1-CE1 3.79Å; F140-F165 AromaticContact CZ-CD1 3.75Å; F140-F165 HydrophobicContact CZ-CD1 3.75Å; F140-F165 HydrophobicContact CZ-CE1 4.21Å; F140-F165 HydrophobicContact CZ-CG 4.5Å; I153-F165 HydrophobicContact CB-CZ 4.47Å; I153-F165 HydrophobicContact CG1-CZ 4.25Å; I153-F165 HydrophobicContact CG2-CE2 4.12Å; I153-F165 HydrophobicContact CG2-CZ 4.11Å; I156-F165 HydrophobicContact CB-CE2 3.88Å; I156-F165 HydrophobicContact CB-CZ 4.11Å; I156-F165 HydrophobicContact CD1-CE1 4.19Å; I156-F165 HydrophobicContact CD1-CE2 4.43Å; I156-F165 HydrophobicContact CD1-CZ 3.79Å; I156-F165 HydrophobicContact CG2-CD2 3.66Å; I156-F165 HydrophobicContact CG2-CE1 4.46Å; I156-F165 HydrophobicContact CG2-CE2 3.35Å; I156-F165 HydrophobicContact CG2-CG 4.34Å; I156-F165 HydrophobicContact CG2-CZ 3.8Å; L157-F165 HydrophobicContact CD2-CD2 4.13Å; L157-F165 HydrophobicContact CD2-CE2 4.11Å; L157-F165 HydrophobicContact CG-CE2 4.38Å; F165-D167 PolarHBondContact O-N 3.44Å; F165-Y168 PolarHBondContact O-N 3.27Å; F165-T192 HydrophobicContact CB-CG2 4.24Å; F165-T192 HydrophobicContact CD2-CG2 4.02Å; F165-L198 HydrophobicContact CD2-CD1 3.94Å; F165-L198 HydrophobicContact CD2-CD2 3.92Å; F165-L198 HydrophobicContact CE2-CD1 3.75Å; F165-L198 HydrophobicContact CG-CD2 4.41Å; F165-L198 HydrophobicContact CZ-CD1 4.2Å |
| 166 | S | 87.1 | Confident | 86 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.1 | -17.8 | 173.6 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | S164 | S164-S166 WeakPolarHBondContact CB-OG 3.21Å; S164-S166 PolarHBondContact O-N 3.15Å; S164-S166 VanDerWaalsContact O-N 3.14Å; S164-S166 WeakPolarHBondContact OG-CB 3.47Å; S164-S166 PolarHBondContact OG-N 3Å; S164-S166 PolarHBondContact OG-OG 3.2Å |
| 167 | D | 85.1 | Confident | 85 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -90.1 | -3.4 | -176.2 | -55.5 | -35.5 | 0 | 0 | 0 | 113 | S164 F165 K188 | S164-D167 WeakPolarHBondContact CB-OD2 3.44Å; S164-D167 PolarHBondContact N-OD2 2.87Å; S164-D167 WeakPolarHBondContact O-CB 3.48Å; S164-D167 PolarHBondContact O-N 2.95Å; F165-D167 PolarHBondContact O-N 3.44Å; D167-K188 WeakPolarHBondContact OD1-CE 3.41Å; D167-K188 IonicContact OD1-NZ 3.87Å; D167-K188 PolarHBondContact OD1-NZ 3.07Å; D167-K188 IonicContact OD2-NZ 3.12Å; D167-K188 PolarHBondContact OD2-NZ 2.84Å |
| 168 | Y | 83.1 | Confident | 84.4 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -120.1 | 165.3 | -172.9 | -67.3 | -97.3 | 0 | 0 | 0 | 111.7 | P133 I134 L136 V163 S164 F165 F170 | P133-Y168 HydrophobicContact CB-CD1 4.36Å; P133-Y168 HydrophobicContact CB-CE1 3.88Å; I134-Y168 WeakPolarHBondContact O-CD1 3.25Å; I134-Y168 WeakPolarHBondContact O-CE1 3.29Å; L136-Y168 HydrophobicContact CD1-CD1 4.28Å; L136-Y168 HydrophobicContact CD1-CD2 3.53Å; L136-Y168 HydrophobicContact CD1-CE1 4.26Å; L136-Y168 HydrophobicContact CD1-CE2 3.53Å; L136-Y168 HydrophobicContact CD1-CG 3.93Å; L136-Y168 HydrophobicContact CG-CD1 4.12Å; L136-Y168 HydrophobicContact CG-CD2 4.26Å; L136-Y168 HydrophobicContact CG-CE1 4.06Å; L136-Y168 HydrophobicContact CG-CE2 4.22Å; L136-Y168 HydrophobicContact CG-CG 4.22Å; V163-Y168 HydrophobicContact CG2-CE2 3.78Å; S164-Y168 WeakPolarHBondContact O-CD2 3.44Å; F165-Y168 PolarHBondContact O-N 3.27Å; Y168-F170 WeakPolarHBondContact O-CD1 3.38Å; Y168-F170 PolarHBondContact O-N 3.4Å |
| 169 | P | 81.3 | Confident | 84 | Confident | 124 Ų | 124 | 58.9 Ų | 58.9 | 81% | 0.805 | 33% | 0.331 | S | S | * | . | trans | -67.6 | 126.8 | 176.1 | -20.5 | 33.9 | 0 | 0 | 0 | 112.5 | ||||
| 170 | F | 85.8 | Confident | 83.6 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | trans | -146 | 166.4 | 175.2 | 60.2 | -100.3 | 0 | 0 | 0 | 110.8 | Y168 P172 Q194 S195 E197 | Y168-F170 WeakPolarHBondContact O-CD1 3.38Å; Y168-F170 PolarHBondContact O-N 3.4Å; F170-P172 HydrophobicContact CD2-CB 4.44Å; F170-P172 HydrophobicContact CE2-CB 4.01Å; F170-P172 VanDerWaalsContact O-CD 3.28Å; F170-P172 WeakPolarHBondContact O-CD 3.35Å; F170-Q194 HydrophobicContact CE2-CB 3.56Å; F170-Q194 HydrophobicContact CZ-CB 3.93Å; F170-S195 WeakPolarHBondContact CB-OG 3.12Å; F170-S195 VanDerWaalsContact CD2-CA 3.49Å; F170-E197 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 171 | T | 88 | Confident | 83.5 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | trans | -85.7 | 109.6 | 173.9 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | V173 L196 E197 | T171-V173 PolarHBondContact O-N 2.93Å; T171-L196 HydrophobicContact CG2-CD2 4.42Å; T171-L196 WeakPolarHBondContact O-CB 3.31Å; T171-L196 PolarHBondContact O-N 3.06Å; T171-E197 WeakPolarHBondContact CA-OE1 3.37Å; T171-E197 WeakPolarHBondContact CB-OE1 3.43Å; T171-E197 PolarHBondContact N-OE1 3.44Å; T171-E197 PolarHBondContact N-OE2 2.99Å; T171-E197 PolarHBondContact OG1-OE1 3.17Å | ||
| 172 | P | 88.1 | Confident | 83.2 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 127.9 | -175.3 | 29 | -35.1 | 0 | 0 | 0 | 111.8 | F170 K174 Q194 | F170-P172 HydrophobicContact CD2-CB 4.44Å; F170-P172 HydrophobicContact CE2-CB 4.01Å; F170-P172 VanDerWaalsContact O-CD 3.28Å; F170-P172 WeakPolarHBondContact O-CD 3.35Å; P172-K174 HydrophobicContact CB-CG 4.5Å; P172-K174 HydrophobicContact CG-CD 4.14Å; P172-K174 PolarHBondContact O-N 3.15Å; P172-Q194 CarbonylContact C-O 3.58Å; P172-Q194 WeakPolarHBondContact CA-O 3.48Å |
| 173 | V | 88.9 | Confident | 82.5 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | trans | -57 | 121.5 | 168.6 | 178 | 0 | 0 | 0 | 0 | 109.7 | T171 L180 Q194 L196 I199 L229 A232 M236 | T171-V173 PolarHBondContact O-N 2.93Å; V173-L180 HydrophobicContact CG1-CD1 3.99Å; V173-L180 WeakPolarHBondContact O-CD1 3.34Å; V173-Q194 PolarHBondContact N-O 3.24Å; V173-L196 HydrophobicContact CG2-CB 4.21Å; V173-L196 HydrophobicContact CG2-CD1 4.25Å; V173-I199 HydrophobicContact CG2-CD1 4.24Å; V173-L229 HydrophobicContact CB-CD1 3.95Å; V173-L229 HydrophobicContact CG1-CD1 4.09Å; V173-A232 HydrophobicContact CG1-CB 3.51Å; V173-M236 HydrophobicContact CG1-SD 4.2Å | ||
| 174 | K | 82.5 | Confident | 81.8 | Confident | 144 Ų | 144 | 67.4 Ų | 67.4 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | trans | -140.8 | 131.6 | -175.4 | -76.2 | 173.9 | 177.7 | 170.7 | 0 | 111.5 | P172 M236 | P172-K174 HydrophobicContact CB-CG 4.5Å; P172-K174 HydrophobicContact CG-CD 4.14Å; P172-K174 PolarHBondContact O-N 3.15Å; K174-M236 VanDerWaalsContact O-SD 3.37Å | ||
| 175 | V | 81 | Confident | 81.3 | Confident | 21 Ų | 21 | 68.6 Ų | 68.6 | 13% | 0.127 | 39% | 0.393 | C | S | . | . | trans | -134.1 | 128.2 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | V178 A232 M236 P265 I266 | V175-V178 HydrophobicContact CG1-CB 4.49Å; V175-V178 HydrophobicContact CG1-CG2 4.17Å; V175-V178 PolarHBondContact O-N 3.27Å; V175-A232 HydrophobicContact CG2-CB 3.84Å; V175-M236 HydrophobicContact CG2-SD 4.28Å; V175-P265 HydrophobicContact CG1-CB 4.5Å; V175-I266 HydrophobicContact CB-CG1 4.42Å; V175-I266 HydrophobicContact CG1-CG1 4.08Å; V175-I266 HydrophobicContact CG2-CG1 4.28Å | ||
| 176 | E | 77.7 | Confident | 80.8 | Confident | 184 Ų | 184 | 74.6 Ų | 74.6 | 86% | 0.86 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 143.3 | -178.8 | -60.4 | -167.1 | 153.7 | 0 | 0 | 111.4 | V178 | E176-V178 PolarHBondContact O-N 3.33Š|
| 177 | G | 72 | Confident | 80.7 | Confident | 85 Ų | 85 | 75.2 Ų | 75.2 | 88% | 0.876 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 0.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 178 | V | 78 | Confident | 80.6 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 16% | 0.164 | 43% | 0.432 | C | S | . | . | trans | -121.8 | 122.3 | -178.9 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | V175 E176 L180 V228 P263 P265 I266 | V175-V178 HydrophobicContact CG1-CB 4.49Å; V175-V178 HydrophobicContact CG1-CG2 4.17Å; V175-V178 PolarHBondContact O-N 3.27Å; E176-V178 PolarHBondContact O-N 3.33Å; V178-L180 HydrophobicContact CB-CD2 4.34Å; V178-L180 HydrophobicContact CG1-CD2 3.92Å; V178-L180 PolarHBondContact O-N 3.28Å; V178-V228 HydrophobicContact CG1-CG1 4.18Å; V178-P263 HydrophobicContact CG1-CB 4.04Å; V178-P265 HydrophobicContact CG2-CB 3.65Å; V178-P265 HydrophobicContact CG2-CG 3.58Å; V178-I266 HydrophobicContact CG1-CD1 4.17Å; V178-I266 HydrophobicContact CG1-CG1 4.4Å; V178-I266 HydrophobicContact CG2-CG1 4.3Å | ||
| 179 | Q | 80.2 | Confident | 80.7 | Confident | 132 Ų | 132 | 77.7 Ų | 77.7 | 62% | 0.617 | 44% | 0.444 | S | S | * | . | trans | -82 | 95.8 | 173.9 | -176.9 | 165.4 | 15.2 | 0 | 0 | 110.1 | L181 S183 | Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-L181 WeakPolarHBondContact CG-O 3.22Å; Q179-L181 PolarHBondContact NE2-O 2.92Å; Q179-L181 PolarHBondContact O-N 2.86Å; Q179-S183 PolarHBondContact NE2-OG 3.01Å | ||
| 180 | L | 82.6 | Confident | 81 | Confident | 25 Ų | 25 | 73.2 Ų | 73.2 | 13% | 0.131 | 41% | 0.413 | C | S | . | . | trans | -71.4 | -22.6 | -172.7 | -58.6 | 177.1 | 0 | 0 | 0 | 114.5 | V173 V178 V228 L229 A232 I266 | V173-L180 HydrophobicContact CG1-CD1 3.99Å; V173-L180 WeakPolarHBondContact O-CD1 3.34Å; V178-L180 HydrophobicContact CB-CD2 4.34Å; V178-L180 HydrophobicContact CG1-CD2 3.92Å; V178-L180 PolarHBondContact O-N 3.28Å; L180-V228 HydrophobicContact CD2-CG1 3.98Å; L180-L229 HydrophobicContact CB-CB 4.29Å; L180-L229 HydrophobicContact CB-CD1 3.97Å; L180-L229 HydrophobicContact CD1-CD1 3.95Å; L180-A232 HydrophobicContact CD1-CB 4.22Å; L180-A232 HydrophobicContact CD2-CB 3.89Å; L180-I266 HydrophobicContact CD2-CD1 3.91Å | ||
| 181 | L | 82.4 | Confident | 81.2 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -135.4 | 151.6 | 177.6 | -76.7 | 169.5 | 0 | 0 | 0 | 110.1 | Q179 C185 M190 L191 Q194 C226 L229 | Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-L181 WeakPolarHBondContact CG-O 3.22Å; Q179-L181 PolarHBondContact NE2-O 2.92Å; Q179-L181 PolarHBondContact O-N 2.86Å; L181-C185 HydrophobicContact CB-CB 4.37Å; L181-M190 HydrophobicContact CD2-CB 4.31Å; L181-M190 HydrophobicContact CD2-CE 3.92Å; L181-L191 HydrophobicContact CD1-CD2 4.3Å; L181-Q194 HydrophobicContact CD1-CG 3.93Å; L181-Q194 VanDerWaalsContact CD1-NE2 3.27Å; L181-C226 HydrophobicContact CD2-CB 3.96Å; L181-L229 HydrophobicContact CD1-CD2 3.94Å; L181-L229 HydrophobicContact CD2-CD2 3.97Å; L181-L229 HydrophobicContact CG-CD2 3.93Å |
| 182 | P | 77.6 | Confident | 81.2 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | trans | -53.6 | 143.3 | 171.8 | -23.8 | 33.8 | 0 | 0 | 0 | 111.9 | D184 C185 | P182-D184 PolarHBondContact O-N 3.41Å; P182-C185 HydrophobicContact CB-CB 4.47Å; P182-C185 VanDerWaalsContact O-CB 3.23Å; P182-C185 WeakPolarHBondContact O-CB 3.35Å; P182-C185 PolarHBondContact O-N 3.03Å; P182-C185 VanDerWaalsContact O-N 3.11Å | ||
| 183 | S | 69.1 | Low | 81.4 | Confident | 93 Ų | 93 | 68 Ų | 68 | 65% | 0.65 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -39 | -176.3 | -49.5 | 0 | 0 | 0 | 0 | 113.7 | Q179 | Q179-S183 PolarHBondContact NE2-OG 3.01Š|
| 184 | D | 71.1 | Confident | 81.5 | Confident | 146 Ų | 146 | 70.1 Ų | 70.1 | 78% | 0.781 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 23.5 | -170.2 | -43.7 | -55 | 0 | 0 | 0 | 112.1 | P182 T186 | P182-D184 PolarHBondContact O-N 3.41Å; D184-T186 PolarHBondContact O-N 2.82Å |
| 185 | C | 76.1 | Confident | 82 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | trans | -71.9 | 100 | -174.6 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | L181 P182 M190 | L181-C185 HydrophobicContact CB-CB 4.37Å; P182-C185 HydrophobicContact CB-CB 4.47Å; P182-C185 VanDerWaalsContact O-CB 3.23Å; P182-C185 WeakPolarHBondContact O-CB 3.35Å; P182-C185 PolarHBondContact O-N 3.03Å; P182-C185 VanDerWaalsContact O-N 3.11Å; C185-M190 VanDerWaalsContact SG-SD 3.7Å | ||
| 186 | T | 79.1 | Confident | 82.5 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | trans | -101 | -0.5 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | D184 K188 | D184-T186 PolarHBondContact O-N 2.82Å; T186-K188 PolarHBondContact O-N 2.89Å | ||
| 187 | S | 84.3 | Confident | 83.1 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | trans | -74.8 | 116.9 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | E189 M190 L191 | S187-E189 PolarHBondContact O-N 3.35Å; S187-E189 WeakPolarHBondContact OG-CB 3.31Å; S187-E189 PolarHBondContact OG-N 2.94Å; S187-M190 PolarHBondContact O-N 3.23Å; S187-L191 WeakPolarHBondContact O-CG 3.26Å; S187-L191 PolarHBondContact O-N 3.39Å | ||
| 188 | K | 84.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.6 | -33.1 | 173.9 | -72.2 | -166.6 | 172.2 | -162.9 | 0 | 112.9 | P160 D167 T186 M190 L191 T192 | P160-K188 HydrophobicContact CB-CB 4.13Å; P160-K188 WeakPolarHBondContact O-CD 3.16Å; D167-K188 WeakPolarHBondContact OD1-CE 3.41Å; D167-K188 IonicContact OD1-NZ 3.87Å; D167-K188 PolarHBondContact OD1-NZ 3.07Å; D167-K188 IonicContact OD2-NZ 3.12Å; D167-K188 PolarHBondContact OD2-NZ 2.84Å; T186-K188 PolarHBondContact O-N 2.89Å; K188-M190 PolarHBondContact O-N 2.89Å; K188-L191 PolarHBondContact O-N 3.31Å; K188-T192 VanDerWaalsContact O-CB 3.3Å; K188-T192 WeakPolarHBondContact O-CB 3.23Å; K188-T192 PolarHBondContact O-N 2.89Å; K188-T192 PolarHBondContact O-OG1 2.91Å |
| 189 | E | 85 | Confident | 84.9 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.1 | -35.9 | 174.4 | -57.3 | 169.7 | 177.8 | 0 | 0 | 112.2 | P160 S187 W193 Y221 | P160-E189 HydrophobicContact CG-CG 3.77Å; S187-E189 PolarHBondContact O-N 3.35Å; S187-E189 WeakPolarHBondContact OG-CB 3.31Å; S187-E189 PolarHBondContact OG-N 2.94Å; E189-W193 PolarHBondContact O-NE1 3.25Å; E189-Y221 HydrophobicContact CB-CE1 4.01Å; E189-Y221 HydrophobicContact CB-CE2 4.1Å; E189-Y221 WeakPolarHBondContact CB-OH 3.28Å; E189-Y221 WeakPolarHBondContact OE2-CE2 3.35Å; E189-Y221 VanDerWaalsContact OE2-CZ 3.27Å; E189-Y221 PolarHBondContact OE2-OH 2.73Å |
| 190 | M | 87 | Confident | 85.5 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 15% | 0.148 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -89.4 | -40.9 | 179.1 | -62.5 | -178 | 75.2 | 0 | 0 | 112.2 | L181 C185 S187 K188 T192 W193 Y221 N225 C226 | L181-M190 HydrophobicContact CD2-CB 4.31Å; L181-M190 HydrophobicContact CD2-CE 3.92Å; C185-M190 VanDerWaalsContact SG-SD 3.7Å; S187-M190 PolarHBondContact O-N 3.23Å; K188-M190 PolarHBondContact O-N 2.89Å; M190-T192 VanDerWaalsContact C-N 3.26Å; M190-T192 PolarHBondContact O-N 3.35Å; M190-W193 PolarHBondContact O-N 2.88Å; M190-Y221 HydrophobicContact CG-CE1 4.16Å; M190-N225 WeakPolarHBondContact CE-O 3.23Å; M190-C226 HydrophobicContact CE-CB 4.03Å |
| 191 | L | 89 | Confident | 86 | Confident | 44 Ų | 44 | 46.3 Ų | 46.3 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -31.8 | -179.8 | -67.8 | 171.6 | 0 | 0 | 0 | 112.4 | L181 S187 K188 W193 Q194 | L181-L191 HydrophobicContact CD1-CD2 4.3Å; S187-L191 WeakPolarHBondContact O-CG 3.26Å; S187-L191 PolarHBondContact O-N 3.39Å; K188-L191 PolarHBondContact O-N 3.31Å; L191-W193 PolarHBondContact O-N 3.39Å; L191-Q194 WeakPolarHBondContact O-CB 3.42Å; L191-Q194 WeakPolarHBondContact O-CG 3.49Å; L191-Q194 PolarHBondContact O-N 2.89Å; L191-Q194 VanDerWaalsContact O-N 3.08Å |
| 192 | T | 89.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -51.1 | -39.8 | 173.9 | -75.5 | 0 | 0 | 0 | 0 | 113.1 | L157 S164 F165 K188 M190 Q194 S195 L198 | L157-T192 HydrophobicContact CD2-CG2 3.55Å; S164-T192 PolarHBondContact OG-OG1 2.85Å; F165-T192 HydrophobicContact CB-CG2 4.24Å; F165-T192 HydrophobicContact CD2-CG2 4.02Å; K188-T192 VanDerWaalsContact O-CB 3.3Å; K188-T192 WeakPolarHBondContact O-CB 3.23Å; K188-T192 PolarHBondContact O-N 2.89Å; K188-T192 PolarHBondContact O-OG1 2.91Å; M190-T192 VanDerWaalsContact C-N 3.26Å; M190-T192 PolarHBondContact O-N 3.35Å; T192-Q194 PolarHBondContact O-N 3.09Å; T192-Q194 VanDerWaalsContact O-N 3.14Å; T192-S195 PolarHBondContact O-N 3.24Å; T192-L198 HydrophobicContact CG2-CD2 3.45Å; T192-L198 VanDerWaalsContact CG2-CD2 3.45Å |
| 193 | W | 92.4 | Very high | 87.3 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -78.3 | 8.6 | -177.7 | -59.8 | 99.6 | 0 | 0 | 0 | 114.2 | L157 E189 M190 L191 L198 I199 L202 C218 F219 Y221 P222 L229 | L157-W193 HydrophobicContact CD1-CH2 3.89Å; L157-W193 HydrophobicContact CD1-CZ2 4.04Å; L157-W193 HydrophobicContact CD2-CH2 4.31Å; L157-W193 HydrophobicContact CD2-CZ2 3.94Å; E189-W193 PolarHBondContact O-NE1 3.25Å; M190-W193 PolarHBondContact O-N 2.88Å; L191-W193 PolarHBondContact O-N 3.39Å; W193-L198 HydrophobicContact CE3-CD2 4.27Å; W193-L198 HydrophobicContact CZ3-CD2 4.42Å; W193-I199 HydrophobicContact CE3-CG1 4.29Å; W193-L202 HydrophobicContact CH2-CD1 3.79Å; W193-L202 HydrophobicContact CZ3-CD1 3.67Å; W193-C218 WeakPolarHBondContact CH2-O 3.04Å; W193-C218 WeakPolarHBondContact CZ2-O 3.41Å; W193-F219 HydrophobicContact CE3-CE1 4.41Å; W193-F219 HydrophobicContact CH2-CD1 4.2Å; W193-F219 HydrophobicContact CH2-CE1 4.4Å; W193-F219 AromaticContact CZ3-CD1 3.8Å; W193-F219 HydrophobicContact CZ3-CD1 3.8Å; W193-F219 AromaticContact CZ3-CE1 3.65Å; W193-F219 HydrophobicContact CZ3-CE1 3.65Å; W193-Y221 AromaticContact NE1-CD1 3.96Å; W193-P222 HydrophobicContact CB-CB 4.45Å; W193-P222 HydrophobicContact CD2-CB 3.73Å; W193-P222 HydrophobicContact CD2-CG 3.64Å; W193-P222 HydrophobicContact CE3-CB 4.21Å; W193-P222 HydrophobicContact CE3-CG 3.84Å; W193-P222 HydrophobicContact CG-CB 3.8Å; W193-P222 HydrophobicContact CG-CG 4.25Å; W193-P222 HydrophobicContact CH2-CG 3.87Å; W193-P222 HydrophobicContact CZ2-CG 3.68Å; W193-P222 HydrophobicContact CZ3-CG 3.96Å; W193-L229 HydrophobicContact CB-CD2 4.04Å; W193-L229 WeakPolarHBondContact O-CD2 3.31Å |
| 194 | Q | 91.2 | Very high | 88.3 | Confident | 53 Ų | 53 | 39 Ų | 39 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -76.9 | -21 | 166.5 | -65.7 | -171.4 | 29.2 | 0 | 0 | 113 | F170 P172 V173 L181 L191 T192 L196 L229 | F170-Q194 HydrophobicContact CE2-CB 3.56Å; F170-Q194 HydrophobicContact CZ-CB 3.93Å; P172-Q194 CarbonylContact C-O 3.58Å; P172-Q194 WeakPolarHBondContact CA-O 3.48Å; V173-Q194 PolarHBondContact N-O 3.24Å; L181-Q194 HydrophobicContact CD1-CG 3.93Å; L181-Q194 VanDerWaalsContact CD1-NE2 3.27Å; L191-Q194 WeakPolarHBondContact O-CB 3.42Å; L191-Q194 WeakPolarHBondContact O-CG 3.49Å; L191-Q194 PolarHBondContact O-N 2.89Å; L191-Q194 VanDerWaalsContact O-N 3.08Å; T192-Q194 PolarHBondContact O-N 3.09Å; T192-Q194 VanDerWaalsContact O-N 3.14Å; Q194-L196 PolarHBondContact O-N 3.35Å; Q194-L229 HydrophobicContact CG-CD1 4.41Å; Q194-L229 HydrophobicContact CG-CD2 4.13Å |
| 195 | S | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 117.1 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | F170 T192 E197 L198 I199 | F170-S195 WeakPolarHBondContact CB-OG 3.12Å; F170-S195 VanDerWaalsContact CD2-CA 3.49Å; T192-S195 PolarHBondContact O-N 3.24Å; S195-E197 VanDerWaalsContact C-N 3.29Å; S195-E197 PolarHBondContact OG-N 3.39Å; S195-E197 PolarHBondContact OG-OE2 2.96Å; S195-L198 PolarHBondContact OG-N 3.49Å; S195-I199 WeakPolarHBondContact O-CG1 3.45Å; S195-I199 PolarHBondContact O-N 3.29Å |
| 196 | L | 92.2 | Very high | 89.8 | Confident | 26 Ų | 26 | 31.3 Ų | 31.3 | 14% | 0.136 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.9 | -33.2 | 172 | -175.3 | 60.7 | 0 | 0 | 0 | 111.3 | T171 V173 Q194 I199 T200 M236 I237 | T171-L196 HydrophobicContact CG2-CD2 4.42Å; T171-L196 WeakPolarHBondContact O-CB 3.31Å; T171-L196 PolarHBondContact O-N 3.06Å; V173-L196 HydrophobicContact CG2-CB 4.21Å; V173-L196 HydrophobicContact CG2-CD1 4.25Å; Q194-L196 PolarHBondContact O-N 3.35Å; L196-I199 PolarHBondContact O-N 3.01Å; L196-T200 WeakPolarHBondContact O-CB 3.47Å; L196-T200 PolarHBondContact O-N 3.3Å; L196-T200 PolarHBondContact O-OG1 3Å; L196-M236 HydrophobicContact CD1-CB 4Å; L196-M236 HydrophobicContact CD2-CB 4.37Å; L196-I237 HydrophobicContact CD1-CG1 3.83Å |
| 197 | E | 90.3 | Very high | 90.1 | Very high | 50 Ų | 50 | 29 Ų | 29 | 23% | 0.234 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.8 | -57.5 | 85.4 | 169.6 | 0 | 0 | 112.1 | F140 F170 T171 S195 I199 T200 I201 | F140-E197 HydrophobicContact CB-CB 4.13Å; F140-E197 HydrophobicContact CD1-CB 4.26Å; F140-E197 HydrophobicContact CD2-CB 3.49Å; F140-E197 VanDerWaalsContact CD2-CB 3.49Å; F140-E197 HydrophobicContact CD2-CG 4.07Å; F140-E197 HydrophobicContact CE2-CB 3.86Å; F140-E197 HydrophobicContact CE2-CG 4.47Å; F140-E197 HydrophobicContact CG-CB 3.73Å; F140-E197 HydrophobicContact CZ-CB 4.38Å; F170-E197 WeakPolarHBondContact CB-OE2 3.49Å; T171-E197 WeakPolarHBondContact CA-OE1 3.37Å; T171-E197 WeakPolarHBondContact CB-OE1 3.43Å; T171-E197 PolarHBondContact N-OE1 3.44Å; T171-E197 PolarHBondContact N-OE2 2.99Å; T171-E197 PolarHBondContact OG1-OE1 3.17Å; S195-E197 VanDerWaalsContact C-N 3.29Å; S195-E197 PolarHBondContact OG-N 3.39Å; S195-E197 PolarHBondContact OG-OE2 2.96Å; E197-I199 PolarHBondContact O-N 3.29Å; E197-T200 WeakPolarHBondContact O-CB 3.2Å; E197-T200 PolarHBondContact O-N 3.4Å; E197-I201 WeakPolarHBondContact O-CG2 3.41Å; E197-I201 PolarHBondContact O-N 2.93Å |
| 198 | L | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 175.5 | 174.6 | 64.2 | 0 | 0 | 0 | 111.8 | F140 I153 L157 F165 T192 W193 S195 T200 L202 | F140-L198 HydrophobicContact CE1-CB 4.18Å; I153-L198 HydrophobicContact CG2-CD1 3.98Å; L157-L198 HydrophobicContact CD2-CD2 4.07Å; F165-L198 HydrophobicContact CD2-CD1 3.94Å; F165-L198 HydrophobicContact CD2-CD2 3.92Å; F165-L198 HydrophobicContact CE2-CD1 3.75Å; F165-L198 HydrophobicContact CG-CD2 4.41Å; F165-L198 HydrophobicContact CZ-CD1 4.2Å; T192-L198 HydrophobicContact CG2-CD2 3.45Å; T192-L198 VanDerWaalsContact CG2-CD2 3.45Å; W193-L198 HydrophobicContact CE3-CD2 4.27Å; W193-L198 HydrophobicContact CZ3-CD2 4.42Å; S195-L198 PolarHBondContact OG-N 3.49Å; L198-T200 VanDerWaalsContact C-N 3.32Å; L198-L202 HydrophobicContact CD1-CD1 3.85Å; L198-L202 HydrophobicContact CD1-CG 4.25Å; L198-L202 HydrophobicContact CG-CD1 4.09Å; L198-L202 WeakPolarHBondContact O-CB 3.22Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.49Å; L198-L202 VanDerWaalsContact O-N 3.13Å |
| 199 | I | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.9 | -38.1 | 177.9 | -54.1 | 170.5 | 0 | 0 | 0 | 109.9 | V173 W193 S195 L196 E197 V203 F219 L230 L234 I237 | V173-I199 HydrophobicContact CG2-CD1 4.24Å; W193-I199 HydrophobicContact CE3-CG1 4.29Å; S195-I199 WeakPolarHBondContact O-CG1 3.45Å; S195-I199 PolarHBondContact O-N 3.29Å; L196-I199 PolarHBondContact O-N 3.01Å; E197-I199 PolarHBondContact O-N 3.29Å; I199-V203 WeakPolarHBondContact O-CB 3.42Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.21Å; I199-V203 PolarHBondContact O-N 3.34Å; I199-F219 HydrophobicContact CG2-CE1 4.03Å; I199-F219 HydrophobicContact CG2-CZ 4.18Å; I199-L230 HydrophobicContact CD1-CD1 4.43Å; I199-L230 HydrophobicContact CG2-CD1 4.29Å; I199-L234 HydrophobicContact CG2-CD2 3.78Å; I199-L234 HydrophobicContact CG2-CG 4.22Å; I199-I237 HydrophobicContact CB-CD1 4.36Å; I199-I237 HydrophobicContact CG2-CD1 3.8Å |
| 200 | T | 93.2 | Very high | 89.8 | Confident | 39 Ų | 39 | 30.1 Ų | 30.1 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -57 | 176 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | L196 E197 L198 L202 V203 D204 I237 | L196-T200 WeakPolarHBondContact O-CB 3.47Å; L196-T200 PolarHBondContact O-N 3.3Å; L196-T200 PolarHBondContact O-OG1 3Å; E197-T200 WeakPolarHBondContact O-CB 3.2Å; E197-T200 PolarHBondContact O-N 3.4Å; L198-T200 VanDerWaalsContact C-N 3.32Å; T200-L202 VanDerWaalsContact C-N 3.3Å; T200-L202 PolarHBondContact O-N 3.14Å; T200-V203 WeakPolarHBondContact O-CB 3.23Å; T200-V203 PolarHBondContact O-N 3.39Å; T200-V203 VanDerWaalsContact O-N 3.07Å; T200-D204 PolarHBondContact O-N 2.82Å; T200-I237 HydrophobicContact CG2-CG2 4.05Å |
| 201 | I | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.3 | -32.9 | -175.1 | -166.9 | 57.2 | 0 | 0 | 0 | 112.3 | F140 R142 I153 E197 D204 I205 | F140-I201 HydrophobicContact CD1-CG2 4.09Å; R142-I201 HydrophobicContact CB-CD1 4.49Å; I153-I201 HydrophobicContact CD1-CG2 4.22Å; E197-I201 WeakPolarHBondContact O-CG2 3.41Å; E197-I201 PolarHBondContact O-N 2.93Å; I201-D204 HydrophobicContact CD1-CB 4.42Å; I201-D204 PolarHBondContact O-N 2.99Å; I201-I205 HydrophobicContact CG1-CD1 4.1Å; I201-I205 HydrophobicContact CG1-CG1 4.5Å; I201-I205 WeakPolarHBondContact O-CB 3.28Å; I201-I205 VanDerWaalsContact O-CG1 3.23Å; I201-I205 WeakPolarHBondContact O-CG1 3.05Å; I201-I205 PolarHBondContact O-N 3.01Å |
| 202 | L | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 171.9 | -75.8 | 171.1 | 0 | 0 | 0 | 111.4 | L150 I153 L157 W193 L198 T200 I205 G206 V215 F219 | L150-L202 HydrophobicContact CD1-CD2 4.03Å; I153-L202 HydrophobicContact CG2-CD2 3.95Å; I153-L202 HydrophobicContact CG2-CG 4.47Å; L157-L202 HydrophobicContact CD1-CD1 4.2Å; W193-L202 HydrophobicContact CH2-CD1 3.79Å; W193-L202 HydrophobicContact CZ3-CD1 3.67Å; L198-L202 HydrophobicContact CD1-CD1 3.85Å; L198-L202 HydrophobicContact CD1-CG 4.25Å; L198-L202 HydrophobicContact CG-CD1 4.09Å; L198-L202 WeakPolarHBondContact O-CB 3.22Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.49Å; L198-L202 VanDerWaalsContact O-N 3.13Å; T200-L202 VanDerWaalsContact C-N 3.3Å; T200-L202 PolarHBondContact O-N 3.14Å; L202-I205 PolarHBondContact O-N 3.08Å; L202-G206 PolarHBondContact O-N 3.09Å; L202-V215 HydrophobicContact CB-CG1 4.2Å; L202-V215 HydrophobicContact CD2-CG1 4.42Å; L202-V215 WeakPolarHBondContact O-CG1 3.27Å; L202-F219 HydrophobicContact CB-CE2 3.69Å; L202-F219 HydrophobicContact CB-CZ 3.56Å; L202-F219 HydrophobicContact CD1-CE1 4.36Å; L202-F219 HydrophobicContact CD1-CE2 4.46Å; L202-F219 HydrophobicContact CD1-CZ 4.07Å; L202-F219 HydrophobicContact CG-CZ 4.48Å |
| 203 | V | 92.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 173.9 | 167 | 0 | 0 | 0 | 0 | 111.1 | I199 T200 I205 G206 E207 F219 L234 I237 R245 L248 | I199-V203 WeakPolarHBondContact O-CB 3.42Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.21Å; I199-V203 PolarHBondContact O-N 3.34Å; T200-V203 WeakPolarHBondContact O-CB 3.23Å; T200-V203 PolarHBondContact O-N 3.39Å; T200-V203 VanDerWaalsContact O-N 3.07Å; V203-I205 PolarHBondContact O-N 3.42Å; V203-G206 CarbonylContact O-C 3.24Å; V203-G206 WeakPolarHBondContact O-CA 3.41Å; V203-G206 PolarHBondContact O-N 3.47Å; V203-G206 VanDerWaalsContact O-N 3.09Å; V203-E207 WeakPolarHBondContact O-CG 3.19Å; V203-E207 PolarHBondContact O-N 3.2Å; V203-E207 VanDerWaalsContact O-N 3.11Å; V203-F219 HydrophobicContact CG2-CE2 4.5Å; V203-F219 HydrophobicContact CG2-CZ 4.26Å; V203-L234 HydrophobicContact CG2-CD2 3.88Å; V203-I237 HydrophobicContact CG2-CD1 4.14Å; V203-R245 HydrophobicContact CG1-CB 3.93Å; V203-R245 HydrophobicContact CG1-CG 4.32Å; V203-L248 HydrophobicContact CG2-CD1 4.04Å |
| 204 | D | 90.2 | Very high | 89.3 | Confident | 47 Ų | 47 | 35.3 Ų | 35.3 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 179.5 | -77 | 8.1 | 0 | 0 | 0 | 113.2 | T200 I201 | T200-D204 PolarHBondContact O-N 2.82Å; I201-D204 HydrophobicContact CD1-CB 4.42Å; I201-D204 PolarHBondContact O-N 2.99Å |
| 205 | I | 91.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 173 | -69.5 | 167.9 | 0 | 0 | 0 | 110.3 | P146 Q149 L150 I153 I201 L202 V203 E207 N208 L211 V215 | P146-I205 HydrophobicContact CB-CG1 4.28Å; P146-I205 HydrophobicContact CB-CG2 4.22Å; Q149-I205 HydrophobicContact CG-CD1 4.11Å; L150-I205 HydrophobicContact CB-CG2 4.23Å; L150-I205 HydrophobicContact CD1-CG2 4.43Å; L150-I205 HydrophobicContact CD2-CG2 4.1Å; L150-I205 HydrophobicContact CG-CG2 4.49Å; I153-I205 HydrophobicContact CD1-CD1 4.21Å; I201-I205 HydrophobicContact CG1-CD1 4.1Å; I201-I205 HydrophobicContact CG1-CG1 4.5Å; I201-I205 WeakPolarHBondContact O-CB 3.28Å; I201-I205 VanDerWaalsContact O-CG1 3.23Å; I201-I205 WeakPolarHBondContact O-CG1 3.05Å; I201-I205 PolarHBondContact O-N 3.01Å; L202-I205 PolarHBondContact O-N 3.08Å; V203-I205 PolarHBondContact O-N 3.42Å; I205-E207 PolarHBondContact O-N 3.38Å; I205-N208 WeakPolarHBondContact O-CB 3.49Å; I205-N208 PolarHBondContact O-N 3.25Å; I205-L211 HydrophobicContact CG2-CB 4.39Å; I205-L211 HydrophobicContact CG2-CD1 3.97Å; I205-V215 HydrophobicContact CB-CG2 4.25Å; I205-V215 HydrophobicContact CG2-CG2 3.64Å |
| 206 | G | 88.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.6 | -14.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L202 V203 N208 F244 | L202-G206 PolarHBondContact O-N 3.09Å; V203-G206 CarbonylContact O-C 3.24Å; V203-G206 WeakPolarHBondContact O-CA 3.41Å; V203-G206 PolarHBondContact O-N 3.47Å; V203-G206 VanDerWaalsContact O-N 3.09Å; G206-N208 PolarHBondContact O-N 3.26Å; G206-F244 WeakPolarHBondContact O-CG 3.45Å |
| 207 | E | 85.2 | Confident | 89.2 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.9 | 167.6 | -56 | -160.3 | 146.5 | 0 | 0 | 112.6 | V203 I205 S209 S242 | V203-E207 WeakPolarHBondContact O-CG 3.19Å; V203-E207 PolarHBondContact O-N 3.2Å; V203-E207 VanDerWaalsContact O-N 3.11Å; I205-E207 PolarHBondContact O-N 3.38Å; E207-S209 PolarHBondContact O-N 2.84Å; E207-S242 WeakPolarHBondContact OE1-CB 3.04Å; E207-S242 PolarHBondContact OE1-OG 2.68Å |
| 208 | N | 83.9 | Confident | 89.3 | Confident | 64 Ų | 64 | 37.8 Ų | 37.8 | 34% | 0.342 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -75.1 | 112.9 | 170.3 | -172.6 | 2.4 | 0 | 0 | 0 | 110 | I205 G206 S210 L211 S212 | I205-N208 WeakPolarHBondContact O-CB 3.49Å; I205-N208 PolarHBondContact O-N 3.25Å; G206-N208 PolarHBondContact O-N 3.26Å; N208-S210 PolarHBondContact ND2-OG 3Å; N208-S210 PolarHBondContact O-N 2.83Å; N208-S210 VanDerWaalsContact O-N 3.09Å; N208-S210 PolarHBondContact OD1-N 3.34Å; N208-S210 PolarHBondContact OD1-OG 2.68Å; N208-L211 HydrophobicContact CB-CG 4.43Å; N208-L211 PolarHBondContact O-N 3.37Å; N208-S212 PolarHBondContact O-N 3Å |
| 209 | S | 79 | Confident | 89.3 | Confident | 105 Ų | 105 | 37.9 Ų | 37.9 | 73% | 0.734 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.7 | -173.3 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | E207 S212 | E207-S209 PolarHBondContact O-N 2.84Å; S209-S212 PolarHBondContact O-OG 2.66Å |
| 210 | S | 84 | Confident | 89.2 | Confident | 71 Ų | 71 | 41.9 Ų | 41.9 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -26.6 | 168.6 | 62 | 0 | 0 | 0 | 0 | 113.2 | N208 | N208-S210 PolarHBondContact ND2-OG 3Å; N208-S210 PolarHBondContact O-N 2.83Å; N208-S210 VanDerWaalsContact O-N 3.09Å; N208-S210 PolarHBondContact OD1-N 3.34Å; N208-S210 PolarHBondContact OD1-OG 2.68Å |
| 211 | L | 86.9 | Confident | 89.1 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -15.3 | -172.3 | -52 | -174.6 | 0 | 0 | 0 | 113.9 | P146 E147 L150 I205 N208 N213 A214 V215 | P146-L211 HydrophobicContact CB-CD1 3.79Å; P146-L211 HydrophobicContact CG-CD1 3.89Å; E147-L211 HydrophobicContact CG-CD1 3.99Å; E147-L211 HydrophobicContact CG-CD2 3.45Å; E147-L211 VanDerWaalsContact CG-CD2 3.45Å; E147-L211 HydrophobicContact CG-CG 4.32Å; L150-L211 HydrophobicContact CD2-CB 4.16Å; I205-L211 HydrophobicContact CG2-CB 4.39Å; I205-L211 HydrophobicContact CG2-CD1 3.97Å; N208-L211 HydrophobicContact CB-CG 4.43Å; N208-L211 PolarHBondContact O-N 3.37Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 2.97Å; L211-N213 VanDerWaalsContact O-N 3.11Å; L211-A214 PolarHBondContact O-N 2.71Å; L211-V215 PolarHBondContact O-N 3.33Å |
| 212 | S | 85.2 | Confident | 89 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -43.3 | -46.9 | -179.5 | 58 | 0 | 0 | 0 | 0 | 113.7 | N208 S209 V215 Q216 F244 | N208-S212 PolarHBondContact O-N 3Å; S209-S212 PolarHBondContact O-OG 2.66Å; S212-V215 PolarHBondContact O-N 3.31Å; S212-Q216 VanDerWaalsContact O-CB 3.25Å; S212-Q216 WeakPolarHBondContact O-CB 3.49Å; S212-Q216 PolarHBondContact O-N 3.35Å; S212-F244 WeakPolarHBondContact O-CE2 2.98Å |
| 213 | N | 87.1 | Confident | 88.8 | Confident | 110 Ų | 110 | 44.4 Ų | 44.4 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.3 | -46.6 | 177.2 | -65.6 | -47 | 0 | 0 | 0 | 112.7 | L211 V215 Q216 D217 | L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 2.97Å; L211-N213 VanDerWaalsContact O-N 3.11Å; N213-V215 VanDerWaalsContact C-N 3.32Å; N213-V215 PolarHBondContact O-N 2.88Å; N213-Q216 WeakPolarHBondContact O-CB 3.42Å; N213-Q216 PolarHBondContact O-N 3.12Å; N213-D217 PolarHBondContact O-N 3.34Å |
| 214 | A | 88.1 | Confident | 88.6 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.6 | -30.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L150 L211 C218 | L150-A214 HydrophobicContact CD2-CB 3.93Å; L211-A214 PolarHBondContact O-N 2.71Å; A214-C218 PolarHBondContact O-N 3.35Å; A214-C218 PolarHBondContact O-SG 3.24Å |
| 215 | V | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.8 | -42.2 | 169.8 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | L150 L202 I205 L211 S212 N213 D217 C218 F219 F244 | L150-V215 HydrophobicContact CD1-CG2 3.94Å; L150-V215 HydrophobicContact CD2-CG2 3.7Å; L150-V215 HydrophobicContact CG-CG2 4.49Å; L202-V215 HydrophobicContact CB-CG1 4.2Å; L202-V215 HydrophobicContact CD2-CG1 4.42Å; L202-V215 WeakPolarHBondContact O-CG1 3.27Å; I205-V215 HydrophobicContact CB-CG2 4.25Å; I205-V215 HydrophobicContact CG2-CG2 3.64Å; L211-V215 PolarHBondContact O-N 3.33Å; S212-V215 PolarHBondContact O-N 3.31Å; N213-V215 VanDerWaalsContact C-N 3.32Å; N213-V215 PolarHBondContact O-N 2.88Å; V215-D217 VanDerWaalsContact C-N 3.28Å; V215-D217 PolarHBondContact O-N 3.38Å; V215-C218 WeakPolarHBondContact O-CA 3.2Å; V215-C218 VanDerWaalsContact O-CB 3.31Å; V215-C218 WeakPolarHBondContact O-CB 3.44Å; V215-C218 PolarHBondContact O-N 3.18Å; V215-F219 HydrophobicContact CG1-CD2 3.98Å; V215-F219 HydrophobicContact CG1-CE2 3.75Å; V215-F219 WeakPolarHBondContact O-CD2 3.29Å; V215-F219 PolarHBondContact O-N 2.59Å; V215-F219 VanDerWaalsContact O-N 3.15Å; V215-F244 HydrophobicContact CB-CE1 4.28Å; V215-F244 HydrophobicContact CB-CZ 3.86Å; V215-F244 HydrophobicContact CG1-CE1 3.56Å; V215-F244 HydrophobicContact CG1-CZ 3.54Å |
| 216 | Q | 90.7 | Very high | 88.4 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 177.3 | -166.8 | 168.4 | 29.9 | 0 | 0 | 111.5 | S212 N213 C218 F219 N220 F244 | S212-Q216 VanDerWaalsContact O-CB 3.25Å; S212-Q216 WeakPolarHBondContact O-CB 3.49Å; S212-Q216 PolarHBondContact O-N 3.35Å; N213-Q216 WeakPolarHBondContact O-CB 3.42Å; N213-Q216 PolarHBondContact O-N 3.12Å; Q216-C218 VanDerWaalsContact C-N 3.31Å; Q216-C218 PolarHBondContact O-N 2.81Å; Q216-F219 CarbonylContact O-C 3.58Å; Q216-F219 PolarHBondContact O-N 2.92Å; Q216-F219 VanDerWaalsContact O-N 3.08Å; Q216-N220 PolarHBondContact O-N 3.33Å; Q216-N220 VanDerWaalsContact O-N 3.1Å; Q216-F244 HydrophobicContact CB-CE2 4.23Å; Q216-F244 HydrophobicContact CB-CZ 4.35Å |
| 217 | D | 89.4 | Confident | 88.5 | Confident | 109 Ų | 109 | 54.5 Ų | 54.5 | 58% | 0.583 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.4 | -35.9 | 170.4 | -84.1 | -33.2 | 0 | 0 | 0 | 113 | N213 V215 F219 N220 | N213-D217 PolarHBondContact O-N 3.34Å; V215-D217 VanDerWaalsContact C-N 3.28Å; V215-D217 PolarHBondContact O-N 3.38Å; D217-F219 VanDerWaalsContact C-N 3.31Å; D217-F219 PolarHBondContact O-N 2.96Å; D217-N220 WeakPolarHBondContact O-CB 3.1Å; D217-N220 PolarHBondContact O-N 2.77Å; D217-N220 PolarHBondContact OD1-ND2 2.78Å |
| 218 | C | 92.7 | Very high | 88.8 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 172.4 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | S154 L157 W193 A214 V215 Q216 | S154-C218 PolarHBondContact OG-SG 3.04Å; S154-C218 VanDerWaalsContact OG-SG 3.41Å; L157-C218 HydrophobicContact CD1-CB 3.9Å; W193-C218 WeakPolarHBondContact CH2-O 3.04Å; W193-C218 WeakPolarHBondContact CZ2-O 3.41Å; A214-C218 PolarHBondContact O-N 3.35Å; A214-C218 PolarHBondContact O-SG 3.24Å; V215-C218 WeakPolarHBondContact O-CA 3.2Å; V215-C218 VanDerWaalsContact O-CB 3.31Å; V215-C218 WeakPolarHBondContact O-CB 3.44Å; V215-C218 PolarHBondContact O-N 3.18Å; Q216-C218 VanDerWaalsContact C-N 3.31Å; Q216-C218 PolarHBondContact O-N 2.81Å |
| 219 | F | 94.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -78.5 | -11.4 | 176.3 | -75.7 | -65.6 | 0 | 0 | 0 | 114.8 | W193 I199 L202 V203 V215 Q216 D217 Y221 P222 V223 L230 F244 L248 | W193-F219 HydrophobicContact CE3-CE1 4.41Å; W193-F219 HydrophobicContact CH2-CD1 4.2Å; W193-F219 HydrophobicContact CH2-CE1 4.4Å; W193-F219 AromaticContact CZ3-CD1 3.8Å; W193-F219 HydrophobicContact CZ3-CD1 3.8Å; W193-F219 AromaticContact CZ3-CE1 3.65Å; W193-F219 HydrophobicContact CZ3-CE1 3.65Å; I199-F219 HydrophobicContact CG2-CE1 4.03Å; I199-F219 HydrophobicContact CG2-CZ 4.18Å; L202-F219 HydrophobicContact CB-CE2 3.69Å; L202-F219 HydrophobicContact CB-CZ 3.56Å; L202-F219 HydrophobicContact CD1-CE1 4.36Å; L202-F219 HydrophobicContact CD1-CE2 4.46Å; L202-F219 HydrophobicContact CD1-CZ 4.07Å; L202-F219 HydrophobicContact CG-CZ 4.48Å; V203-F219 HydrophobicContact CG2-CE2 4.5Å; V203-F219 HydrophobicContact CG2-CZ 4.26Å; V215-F219 HydrophobicContact CG1-CD2 3.98Å; V215-F219 HydrophobicContact CG1-CE2 3.75Å; V215-F219 WeakPolarHBondContact O-CD2 3.29Å; V215-F219 PolarHBondContact O-N 2.59Å; V215-F219 VanDerWaalsContact O-N 3.15Å; Q216-F219 CarbonylContact O-C 3.58Å; Q216-F219 PolarHBondContact O-N 2.92Å; Q216-F219 VanDerWaalsContact O-N 3.08Å; D217-F219 VanDerWaalsContact C-N 3.31Å; D217-F219 PolarHBondContact O-N 2.96Å; F219-Y221 VanDerWaalsContact C-N 3.28Å; F219-Y221 PolarHBondContact O-N 3.02Å; F219-P222 HydrophobicContact CD1-CG 4.13Å; F219-P222 WeakPolarHBondContact O-CD 3.29Å; F219-P222 VanDerWaalsContact O-CG 3.29Å; F219-P222 WeakPolarHBondContact O-CG 3.19Å; F219-V223 WeakPolarHBondContact O-CB 3.35Å; F219-V223 VanDerWaalsContact O-CG2 3.26Å; F219-V223 WeakPolarHBondContact O-CG2 3.45Å; F219-V223 PolarHBondContact O-N 3.36Å; F219-V223 VanDerWaalsContact O-N 3.14Å; F219-L230 HydrophobicContact CD1-CD1 3.68Å; F219-L230 HydrophobicContact CD1-CD2 4.32Å; F219-L230 HydrophobicContact CE1-CD1 3.68Å; F219-F244 HydrophobicContact CE2-CE1 4.39Å; F219-L248 HydrophobicContact CB-CD2 3.87Å; F219-L248 HydrophobicContact CD2-CD1 3.56Å; F219-L248 HydrophobicContact CD2-CD2 3.74Å; F219-L248 HydrophobicContact CD2-CG 4.33Å; F219-L248 HydrophobicContact CE2-CD1 3.46Å; F219-L248 VanDerWaalsContact CE2-CD1 3.46Å; F219-L248 HydrophobicContact CE2-CD2 4.5Å; F219-L248 HydrophobicContact CG-CD1 4.26Å; F219-L248 HydrophobicContact CG-CD2 3.92Å; F219-L248 HydrophobicContact CZ-CD1 4.08Å |
| 220 | N | 91.1 | Very high | 89.9 | Confident | 84 Ų | 84 | 44.2 Ų | 44.2 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.8 | -33.4 | 178.8 | -81.9 | -32.2 | 0 | 0 | 0 | 113.4 | Q216 D217 K224 | Q216-N220 PolarHBondContact O-N 3.33Å; Q216-N220 VanDerWaalsContact O-N 3.1Å; D217-N220 WeakPolarHBondContact O-CB 3.1Å; D217-N220 PolarHBondContact O-N 2.77Å; D217-N220 PolarHBondContact OD1-ND2 2.78Å; N220-K224 PolarHBondContact O-N 3.35Å |
| 221 | Y | 91.4 | Very high | 90.3 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.9 | -57.2 | 175.8 | -177 | -74.3 | 0 | 0 | 0 | 112.7 | E189 M190 W193 F219 V223 K224 N225 | E189-Y221 HydrophobicContact CB-CE1 4.01Å; E189-Y221 HydrophobicContact CB-CE2 4.1Å; E189-Y221 WeakPolarHBondContact CB-OH 3.28Å; E189-Y221 WeakPolarHBondContact OE2-CE2 3.35Å; E189-Y221 VanDerWaalsContact OE2-CZ 3.27Å; E189-Y221 PolarHBondContact OE2-OH 2.73Å; M190-Y221 HydrophobicContact CG-CE1 4.16Å; W193-Y221 AromaticContact NE1-CD1 3.96Å; F219-Y221 VanDerWaalsContact C-N 3.28Å; F219-Y221 PolarHBondContact O-N 3.02Å; Y221-V223 PolarHBondContact O-N 3.04Å; Y221-K224 PolarHBondContact O-N 2.83Å; Y221-K224 VanDerWaalsContact O-N 3.08Å; Y221-N225 HydrophobicContact CD1-CB 4.28Å; Y221-N225 VanDerWaalsContact CD2-ND2 3.32Å; Y221-N225 WeakPolarHBondContact CD2-ND2 3.15Å; Y221-N225 HydrophobicContact CE1-CB 3.85Å; Y221-N225 WeakPolarHBondContact CE1-ND2 3.42Å; Y221-N225 WeakPolarHBondContact CE2-ND2 3.5Å; Y221-N225 PolarHBondContact O-N 2.79Å; Y221-N225 PolarHBondContact O-ND2 3.08Å |
| 222 | P | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | -177.5 | 25.5 | -36.8 | 0 | 0 | 0 | 113.2 | W193 F219 K224 N225 C226 P227 L230 | W193-P222 HydrophobicContact CB-CB 4.45Å; W193-P222 HydrophobicContact CD2-CB 3.73Å; W193-P222 HydrophobicContact CD2-CG 3.64Å; W193-P222 HydrophobicContact CE3-CB 4.21Å; W193-P222 HydrophobicContact CE3-CG 3.84Å; W193-P222 HydrophobicContact CG-CB 3.8Å; W193-P222 HydrophobicContact CG-CG 4.25Å; W193-P222 HydrophobicContact CH2-CG 3.87Å; W193-P222 HydrophobicContact CZ2-CG 3.68Å; W193-P222 HydrophobicContact CZ3-CG 3.96Å; F219-P222 HydrophobicContact CD1-CG 4.13Å; F219-P222 WeakPolarHBondContact O-CD 3.29Å; F219-P222 VanDerWaalsContact O-CG 3.29Å; F219-P222 WeakPolarHBondContact O-CG 3.19Å; P222-K224 PolarHBondContact O-N 3.28Å; P222-N225 PolarHBondContact O-N 3.28Å; P222-C226 CarbonylContact O-C 2.94Å; P222-C226 PolarHBondContact O-N 3.18Å; P222-P227 VanDerWaalsContact O-N 3.11Å; P222-L230 HydrophobicContact CB-CB 4.26Å; P222-L230 HydrophobicContact CB-CD2 4.11Å; P222-L230 HydrophobicContact CG-CD1 4.46Å; P222-L230 HydrophobicContact CG-CD2 4.1Å |
| 223 | V | 90.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.9 | -37 | 171.2 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | F219 Y221 P227 L230 T251 A255 | F219-V223 WeakPolarHBondContact O-CB 3.35Å; F219-V223 VanDerWaalsContact O-CG2 3.26Å; F219-V223 WeakPolarHBondContact O-CG2 3.45Å; F219-V223 PolarHBondContact O-N 3.36Å; F219-V223 VanDerWaalsContact O-N 3.14Å; Y221-V223 PolarHBondContact O-N 3.04Å; V223-P227 WeakPolarHBondContact O-CB 3.44Å; V223-L230 HydrophobicContact CB-CD2 4.39Å; V223-L230 HydrophobicContact CG2-CD2 3.46Å; V223-L230 VanDerWaalsContact CG2-CD2 3.46Å; V223-T251 HydrophobicContact CG1-CG2 3.93Å; V223-T251 HydrophobicContact CG2-CG2 4.14Å; V223-A255 HydrophobicContact CG1-CB 4.19Å |
| 224 | K | 87.5 | Confident | 91.1 | Very high | 173 Ų | 173 | 33.9 Ų | 33.9 | 75% | 0.752 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -85.3 | -39.4 | -177.6 | -171.9 | 178.5 | 178.1 | -176 | 0 | 113.4 | N220 Y221 P222 | N220-K224 PolarHBondContact O-N 3.35Å; Y221-K224 PolarHBondContact O-N 2.83Å; Y221-K224 VanDerWaalsContact O-N 3.08Å; P222-K224 PolarHBondContact O-N 3.28Å |
| 225 | N | 88.4 | Confident | 91.2 | Very high | 70 Ų | 70 | 32.3 Ų | 32.3 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -106.3 | -27.4 | -166.3 | -61.5 | -42.5 | 0 | 0 | 0 | 114.2 | M190 Y221 P222 | M190-N225 WeakPolarHBondContact CE-O 3.23Å; Y221-N225 HydrophobicContact CD1-CB 4.28Å; Y221-N225 VanDerWaalsContact CD2-ND2 3.32Å; Y221-N225 WeakPolarHBondContact CD2-ND2 3.15Å; Y221-N225 HydrophobicContact CE1-CB 3.85Å; Y221-N225 WeakPolarHBondContact CE1-ND2 3.42Å; Y221-N225 WeakPolarHBondContact CE2-ND2 3.5Å; Y221-N225 PolarHBondContact O-N 2.79Å; Y221-N225 PolarHBondContact O-ND2 3.08Å; P222-N225 PolarHBondContact O-N 3.28Å |
| 226 | C | 89.4 | Confident | 91 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | trans | -143.4 | 50.4 | 177.7 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | L181 M190 P222 V228 L229 L230 | L181-C226 HydrophobicContact CD2-CB 3.96Å; M190-C226 HydrophobicContact CE-CB 4.03Å; P222-C226 CarbonylContact O-C 2.94Å; P222-C226 PolarHBondContact O-N 3.18Å; C226-V228 PolarHBondContact O-N 2.87Å; C226-V228 VanDerWaalsContact O-N 3.09Å; C226-L229 HydrophobicContact CB-CB 4.18Å; C226-L229 HydrophobicContact CB-CD2 4.5Å; C226-L229 WeakPolarHBondContact O-CB 2.97Å; C226-L229 PolarHBondContact O-N 3.25Å; C226-L230 PolarHBondContact O-N 2.79Å; C226-L230 VanDerWaalsContact O-N 3.13Å | ||
| 227 | P | 91.1 | Very high | 90.9 | Very high | 20 Ų | 20 | 33 Ų | 33 | 13% | 0.13 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -28.9 | -172.2 | 21 | -32.7 | 0 | 0 | 0 | 114.3 | P222 V223 L231 A255 V256 | P222-P227 VanDerWaalsContact O-N 3.11Å; V223-P227 WeakPolarHBondContact O-CB 3.44Å; P227-L231 WeakPolarHBondContact O-CB 3.36Å; P227-L231 PolarHBondContact O-N 3.49Å; P227-A255 HydrophobicContact CB-CB 3.81Å; P227-A255 HydrophobicContact CG-CB 4.24Å; P227-V256 HydrophobicContact CB-CG2 3.93Å |
| 228 | V | 90.9 | Very high | 90.4 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 19% | 0.188 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.2 | -38.5 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | V178 L180 C226 A232 V256 P263 I266 | V178-V228 HydrophobicContact CG1-CG1 4.18Å; L180-V228 HydrophobicContact CD2-CG1 3.98Å; C226-V228 PolarHBondContact O-N 2.87Å; C226-V228 VanDerWaalsContact O-N 3.09Å; V228-A232 WeakPolarHBondContact O-CB 3.31Å; V228-A232 PolarHBondContact O-N 3.4Å; V228-A232 VanDerWaalsContact O-N 3.07Å; V228-V256 HydrophobicContact CG2-CG2 3.99Å; V228-P263 HydrophobicContact CG1-CB 4.06Å; V228-P263 HydrophobicContact CG1-CG 4.19Å; V228-I266 HydrophobicContact CG1-CD1 3.59Å |
| 229 | L | 91.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67 | -48.3 | 173.9 | 176.3 | 64.7 | 0 | 0 | 0 | 110.7 | V173 L180 L181 W193 Q194 C226 L231 A232 G233 | V173-L229 HydrophobicContact CB-CD1 3.95Å; V173-L229 HydrophobicContact CG1-CD1 4.09Å; L180-L229 HydrophobicContact CB-CB 4.29Å; L180-L229 HydrophobicContact CB-CD1 3.97Å; L180-L229 HydrophobicContact CD1-CD1 3.95Å; L181-L229 HydrophobicContact CD1-CD2 3.94Å; L181-L229 HydrophobicContact CD2-CD2 3.97Å; L181-L229 HydrophobicContact CG-CD2 3.93Å; W193-L229 HydrophobicContact CB-CD2 4.04Å; W193-L229 WeakPolarHBondContact O-CD2 3.31Å; Q194-L229 HydrophobicContact CG-CD1 4.41Å; Q194-L229 HydrophobicContact CG-CD2 4.13Å; C226-L229 HydrophobicContact CB-CB 4.18Å; C226-L229 HydrophobicContact CB-CD2 4.5Å; C226-L229 WeakPolarHBondContact O-CB 2.97Å; C226-L229 PolarHBondContact O-N 3.25Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.25Å; L229-A232 PolarHBondContact O-N 2.92Å; L229-G233 PolarHBondContact O-N 3.35Å |
| 230 | L | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.4 | 179.2 | 63.7 | 0 | 0 | 0 | 111.5 | I199 F219 P222 V223 C226 G233 L234 A252 | I199-L230 HydrophobicContact CD1-CD1 4.43Å; I199-L230 HydrophobicContact CG2-CD1 4.29Å; F219-L230 HydrophobicContact CD1-CD1 3.68Å; F219-L230 HydrophobicContact CD1-CD2 4.32Å; F219-L230 HydrophobicContact CE1-CD1 3.68Å; P222-L230 HydrophobicContact CB-CB 4.26Å; P222-L230 HydrophobicContact CB-CD2 4.11Å; P222-L230 HydrophobicContact CG-CD1 4.46Å; P222-L230 HydrophobicContact CG-CD2 4.1Å; V223-L230 HydrophobicContact CB-CD2 4.39Å; V223-L230 HydrophobicContact CG2-CD2 3.46Å; V223-L230 VanDerWaalsContact CG2-CD2 3.46Å; C226-L230 PolarHBondContact O-N 2.79Å; C226-L230 VanDerWaalsContact O-N 3.13Å; L230-G233 PolarHBondContact O-N 2.9Å; L230-L234 HydrophobicContact CD1-CD1 4.04Å; L230-L234 HydrophobicContact CD1-CG 4.04Å; L230-L234 HydrophobicContact CD2-CD1 4.36Å; L230-L234 HydrophobicContact CG-CD1 3.81Å; L230-L234 HydrophobicContact CG-CG 4.24Å; L230-L234 WeakPolarHBondContact O-CB 3.02Å; L230-L234 WeakPolarHBondContact O-CG 3.43Å; L230-L234 PolarHBondContact O-N 3.3Å; L230-A252 HydrophobicContact CD2-CB 4.38Å |
| 231 | L | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -43 | 178 | -176.5 | 67.6 | 0 | 0 | 0 | 111.9 | P227 L229 G233 L234 F235 L249 A252 L253 V256 I266 F267 | P227-L231 WeakPolarHBondContact O-CB 3.36Å; P227-L231 PolarHBondContact O-N 3.49Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.25Å; L231-G233 VanDerWaalsContact C-N 3.34Å; L231-G233 PolarHBondContact O-N 2.84Å; L231-L234 PolarHBondContact O-N 3.15Å; L231-F235 HydrophobicContact CD1-CD2 3.98Å; L231-F235 HydrophobicContact CD1-CE2 3.49Å; L231-F235 VanDerWaalsContact CD1-CE2 3.49Å; L231-F235 HydrophobicContact CD1-CZ 4.2Å; L231-F235 HydrophobicContact CD2-CE2 4.27Å; L231-F235 HydrophobicContact CG-CD2 3.95Å; L231-F235 HydrophobicContact CG-CE2 3.73Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.48Å; L231-F235 PolarHBondContact O-N 3.49Å; L231-F235 VanDerWaalsContact O-N 3.11Å; L231-L249 HydrophobicContact CD1-CD2 3.95Å; L231-A252 HydrophobicContact CB-CB 4.39Å; L231-A252 HydrophobicContact CD1-CB 4.19Å; L231-L253 HydrophobicContact CD1-CD2 3.67Å; L231-L253 HydrophobicContact CD1-CG 3.76Å; L231-L253 HydrophobicContact CD2-CD2 3.83Å; L231-L253 HydrophobicContact CG-CD2 4.4Å; L231-V256 HydrophobicContact CB-CG2 4.46Å; L231-V256 HydrophobicContact CD2-CB 4.37Å; L231-V256 HydrophobicContact CD2-CG1 4.47Å; L231-V256 HydrophobicContact CD2-CG2 3.89Å; L231-I266 HydrophobicContact CD2-CG2 4.39Å; L231-I266 HydrophobicContact CG-CG2 4.39Å; L231-F267 HydrophobicContact CD2-CE1 3.78Å; L231-F267 HydrophobicContact CD2-CZ 4.28Å |
| 232 | A | 91.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V173 V175 L180 V228 L229 F235 M236 I266 | V173-A232 HydrophobicContact CG1-CB 3.51Å; V175-A232 HydrophobicContact CG2-CB 3.84Å; L180-A232 HydrophobicContact CD1-CB 4.22Å; L180-A232 HydrophobicContact CD2-CB 3.89Å; V228-A232 WeakPolarHBondContact O-CB 3.31Å; V228-A232 PolarHBondContact O-N 3.4Å; V228-A232 VanDerWaalsContact O-N 3.07Å; L229-A232 PolarHBondContact O-N 2.92Å; A232-F235 PolarHBondContact O-N 2.84Å; A232-M236 WeakPolarHBondContact O-CB 3.01Å; A232-M236 VanDerWaalsContact O-CG 3.29Å; A232-M236 WeakPolarHBondContact O-CG 3.46Å; A232-M236 PolarHBondContact O-N 2.84Å; A232-M236 VanDerWaalsContact O-N 3.09Å; A232-I266 HydrophobicContact CB-CD1 4.07Å |
| 233 | G | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L229 L230 L231 F235 M236 I237 | L229-G233 PolarHBondContact O-N 3.35Å; L230-G233 PolarHBondContact O-N 2.9Å; L231-G233 VanDerWaalsContact C-N 3.34Å; L231-G233 PolarHBondContact O-N 2.84Å; G233-F235 PolarHBondContact O-N 2.93Å; G233-M236 PolarHBondContact O-N 3.47Å; G233-I237 PolarHBondContact O-N 3.18Å |
| 234 | L | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -23.4 | 179.7 | -71.7 | 172.8 | 0 | 0 | 0 | 113.9 | I199 V203 L230 L231 I237 R245 L248 L249 A252 | I199-L234 HydrophobicContact CG2-CD2 3.78Å; I199-L234 HydrophobicContact CG2-CG 4.22Å; V203-L234 HydrophobicContact CG2-CD2 3.88Å; L230-L234 HydrophobicContact CD1-CD1 4.04Å; L230-L234 HydrophobicContact CD1-CG 4.04Å; L230-L234 HydrophobicContact CD2-CD1 4.36Å; L230-L234 HydrophobicContact CG-CD1 3.81Å; L230-L234 HydrophobicContact CG-CG 4.24Å; L230-L234 WeakPolarHBondContact O-CB 3.02Å; L230-L234 WeakPolarHBondContact O-CG 3.43Å; L230-L234 PolarHBondContact O-N 3.3Å; L231-L234 PolarHBondContact O-N 3.15Å; L234-I237 HydrophobicContact CD2-CD1 4.46Å; L234-R245 PolarHBondContact O-NE 3.41Å; L234-R245 PolarHBondContact O-NH2 3.26Å; L234-L248 HydrophobicContact CD1-CB 3.93Å; L234-L248 HydrophobicContact CD2-CB 4.32Å; L234-L248 HydrophobicContact CD2-CD1 4.33Å; L234-L249 HydrophobicContact CB-CD2 3.54Å; L234-L249 HydrophobicContact CB-CG 4.07Å; L234-L249 HydrophobicContact CD1-CD2 4.44Å; L234-A252 HydrophobicContact CD1-CB 4.27Å |
| 235 | F | 90.6 | Very high | 88.5 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -83.8 | -27 | 168.4 | -76.9 | -55.5 | 0 | 0 | 0 | 113.5 | L231 A232 G233 L249 I266 A270 Y281 L285 | L231-F235 HydrophobicContact CD1-CD2 3.98Å; L231-F235 HydrophobicContact CD1-CE2 3.49Å; L231-F235 VanDerWaalsContact CD1-CE2 3.49Å; L231-F235 HydrophobicContact CD1-CZ 4.2Å; L231-F235 HydrophobicContact CD2-CE2 4.27Å; L231-F235 HydrophobicContact CG-CD2 3.95Å; L231-F235 HydrophobicContact CG-CE2 3.73Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.48Å; L231-F235 PolarHBondContact O-N 3.49Å; L231-F235 VanDerWaalsContact O-N 3.11Å; A232-F235 PolarHBondContact O-N 2.84Å; G233-F235 PolarHBondContact O-N 2.93Å; F235-L249 HydrophobicContact CD1-CD2 3.96Å; F235-L249 HydrophobicContact CD2-CD2 4.33Å; F235-L249 HydrophobicContact CE1-CD1 4.32Å; F235-L249 HydrophobicContact CE1-CD2 3.84Å; F235-L249 HydrophobicContact CE2-CD2 4.25Å; F235-L249 HydrophobicContact CG-CD2 4.2Å; F235-L249 HydrophobicContact CZ-CD2 3.99Å; F235-I266 HydrophobicContact CD2-CG2 3.84Å; F235-I266 HydrophobicContact CE2-CG2 4.24Å; F235-A270 HydrophobicContact CD1-CB 3.62Å; F235-A270 HydrophobicContact CD2-CB 3.92Å; F235-A270 HydrophobicContact CE1-CB 3.6Å; F235-A270 HydrophobicContact CE2-CB 3.87Å; F235-A270 HydrophobicContact CG-CB 3.81Å; F235-A270 HydrophobicContact CZ-CB 3.72Å; F235-Y281 AromaticContact CD1-CD1 3.78Å; F235-Y281 HydrophobicContact CD1-CD1 3.78Å; F235-Y281 HydrophobicContact CD1-CD2 4.2Å; F235-Y281 AromaticContact CD1-CE1 3.83Å; F235-Y281 HydrophobicContact CD1-CE1 3.83Å; F235-Y281 HydrophobicContact CD1-CE2 4.24Å; F235-Y281 AromaticContact CD1-CG 3.98Å; F235-Y281 HydrophobicContact CD1-CG 3.98Å; F235-Y281 AromaticContact CE1-CD1 3.73Å; F235-Y281 HydrophobicContact CE1-CD1 3.73Å; F235-Y281 HydrophobicContact CE1-CE1 4.22Å; F235-Y281 AromaticContact CE1-CG 3.93Å; F235-Y281 HydrophobicContact CE1-CG 3.93Å; F235-Y281 PolarHBondContact O-OH 2.92Å; F235-L285 HydrophobicContact CZ-CD2 4.13Å; F235-L285 HydrophobicContact CZ-CG 4.38Å |
| 236 | M | 88.5 | Confident | 88.6 | Confident | 57 Ų | 57 | 27.8 Ų | 27.8 | 28% | 0.281 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -86.1 | -8.4 | -176.3 | -76.3 | -179.3 | 58.8 | 0 | 0 | 115.5 | V173 K174 V175 L196 A232 G233 | V173-M236 HydrophobicContact CG1-SD 4.2Å; K174-M236 VanDerWaalsContact O-SD 3.37Å; V175-M236 HydrophobicContact CG2-SD 4.28Å; L196-M236 HydrophobicContact CD1-CB 4Å; L196-M236 HydrophobicContact CD2-CB 4.37Å; A232-M236 WeakPolarHBondContact O-CB 3.01Å; A232-M236 VanDerWaalsContact O-CG 3.29Å; A232-M236 WeakPolarHBondContact O-CG 3.46Å; A232-M236 PolarHBondContact O-N 2.84Å; A232-M236 VanDerWaalsContact O-N 3.09Å; G233-M236 PolarHBondContact O-N 3.47Å |
| 237 | I | 87.3 | Confident | 88.5 | Confident | 15 Ų | 15 | 32.8 Ų | 32.8 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -68.1 | 142.7 | 170.3 | -58.7 | 164.4 | 0 | 0 | 0 | 109.4 | L196 I199 T200 V203 G233 L234 R245 | L196-I237 HydrophobicContact CD1-CG1 3.83Å; I199-I237 HydrophobicContact CB-CD1 4.36Å; I199-I237 HydrophobicContact CG2-CD1 3.8Å; T200-I237 HydrophobicContact CG2-CG2 4.05Å; V203-I237 HydrophobicContact CG2-CD1 4.14Å; G233-I237 PolarHBondContact O-N 3.18Å; L234-I237 HydrophobicContact CD2-CD1 4.46Å; I237-R245 PolarHBondContact O-NH1 2.87Å; I237-R245 PolarHBondContact O-NH2 3.02Å |
| 238 | G | 80.2 | Confident | 88.5 | Confident | 45 Ų | 45 | 32 Ų | 32 | 46% | 0.464 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 171.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R245 | G238-R245 PolarHBondContact O-NH1 3.08Š|
| 239 | P | 78.8 | Confident | 88.6 | Confident | 75 Ų | 75 | 30.5 Ų | 30.5 | 49% | 0.487 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -61.2 | 150.9 | 170.9 | 25.2 | -33.5 | 0 | 0 | 0 | 111.7 | ||
| 240 | P | 80.5 | Confident | 88.5 | Confident | 96 Ų | 96 | 32.2 Ų | 32.2 | 62% | 0.623 | 19% | 0.191 | S | C | * | . | P | Polyproline II helix | cis | -86.6 | 171.2 | 5.5 | 35.2 | -36.5 | 0 | 0 | 0 | 114.5 | R245 | P240-R245 PolarHBondContact O-NH1 3.21Š|
| 241 | V | 85.4 | Confident | 88.3 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | trans | -102.8 | 78.5 | 170 | -163.5 | 0 | 0 | 0 | 0 | 109.2 | R245 Q246 L249 C277 T280 Y281 I284 | V241-R245 HydrophobicContact CG1-CG 4.24Å; V241-Q246 HydrophobicContact CG1-CG 3.81Å; V241-Q246 PolarHBondContact O-NE2 3.36Å; V241-L249 HydrophobicContact CG1-CD1 4.13Å; V241-C277 HydrophobicContact CG2-CB 3.84Å; V241-C277 VanDerWaalsContact CG2-SG 3.51Å; V241-T280 HydrophobicContact CB-CG2 4.01Å; V241-T280 HydrophobicContact CG1-CG2 4.21Å; V241-T280 HydrophobicContact CG2-CG2 4.34Å; V241-Y281 HydrophobicContact CG1-CE1 4.1Å; V241-Y281 HydrophobicContact CG2-CD1 4.36Å; V241-Y281 HydrophobicContact CG2-CE1 3.58Å; V241-I284 HydrophobicContact CG1-CD1 4.22Å | ||
| 242 | S | 86.2 | Confident | 88.2 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | trans | -67.5 | 161.6 | -177.9 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | E207 F244 R245 Q246 | E207-S242 WeakPolarHBondContact OE1-CB 3.04Å; E207-S242 PolarHBondContact OE1-OG 2.68Å; S242-F244 VanDerWaalsContact C-N 3.29Å; S242-F244 PolarHBondContact O-N 2.85Å; S242-R245 WeakPolarHBondContact O-CA 3.45Å; S242-R245 WeakPolarHBondContact O-CB 3.27Å; S242-R245 PolarHBondContact O-N 2.82Å; S242-Q246 WeakPolarHBondContact O-CG 3.26Å; S242-Q246 PolarHBondContact O-N 3.14Å | ||
| 243 | C | 86.5 | Confident | 88.2 | Confident | 94 Ų | 94 | 34.6 Ų | 34.6 | 64% | 0.635 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -54.2 | -42.4 | -173.7 | -57.2 | 0 | 0 | 0 | 0 | 113.1 | R245 Q246 E247 | C243-R245 PolarHBondContact O-N 3.2Å; C243-Q246 WeakPolarHBondContact O-CB 3.37Å; C243-Q246 PolarHBondContact O-N 3.25Å; C243-Q246 VanDerWaalsContact O-N 3.11Å; C243-E247 PolarHBondContact O-N 3.33Å |
| 244 | F | 89.7 | Confident | 87.9 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.9 | -175.2 | -108.9 | 0 | 0 | 0 | 112 | G206 S212 V215 Q216 F219 S242 Q246 E247 L248 | G206-F244 WeakPolarHBondContact O-CG 3.45Å; S212-F244 WeakPolarHBondContact O-CE2 2.98Å; V215-F244 HydrophobicContact CB-CE1 4.28Å; V215-F244 HydrophobicContact CB-CZ 3.86Å; V215-F244 HydrophobicContact CG1-CE1 3.56Å; V215-F244 HydrophobicContact CG1-CZ 3.54Å; Q216-F244 HydrophobicContact CB-CE2 4.23Å; Q216-F244 HydrophobicContact CB-CZ 4.35Å; F219-F244 HydrophobicContact CE2-CE1 4.39Å; S242-F244 VanDerWaalsContact C-N 3.29Å; S242-F244 PolarHBondContact O-N 2.85Å; F244-Q246 VanDerWaalsContact C-N 3.33Å; F244-Q246 PolarHBondContact O-N 2.92Å; F244-E247 PolarHBondContact O-N 3.47Å; F244-L248 HydrophobicContact CD1-CD1 3.89Å; F244-L248 HydrophobicContact CD1-CG 4.5Å; F244-L248 HydrophobicContact CE1-CD1 3.43Å; F244-L248 VanDerWaalsContact CE1-CD1 3.43Å; F244-L248 HydrophobicContact CE1-CG 4.15Å; F244-L248 HydrophobicContact CZ-CD1 3.91Å; F244-L248 HydrophobicContact CZ-CD2 4.45Å; F244-L248 HydrophobicContact CZ-CG 4.23Å; F244-L248 WeakPolarHBondContact O-CG 3.42Å; F244-L248 PolarHBondContact O-N 3.07Å |
| 245 | R | 91.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 173.2 | -173.5 | 175.9 | 168.2 | -168.9 | 4.8 | 112.5 | V203 L234 I237 G238 P240 V241 S242 C243 L249 Y281 | V203-R245 HydrophobicContact CG1-CB 3.93Å; V203-R245 HydrophobicContact CG1-CG 4.32Å; L234-R245 PolarHBondContact O-NE 3.41Å; L234-R245 PolarHBondContact O-NH2 3.26Å; I237-R245 PolarHBondContact O-NH1 2.87Å; I237-R245 PolarHBondContact O-NH2 3.02Å; G238-R245 PolarHBondContact O-NH1 3.08Å; P240-R245 PolarHBondContact O-NH1 3.21Å; V241-R245 HydrophobicContact CG1-CG 4.24Å; S242-R245 WeakPolarHBondContact O-CA 3.45Å; S242-R245 WeakPolarHBondContact O-CB 3.27Å; S242-R245 PolarHBondContact O-N 2.82Å; C243-R245 PolarHBondContact O-N 3.2Å; R245-L249 HydrophobicContact CG-CD1 4.3Å; R245-L249 VanDerWaalsContact O-CB 3.31Å; R245-L249 WeakPolarHBondContact O-CB 3.41Å; R245-L249 VanDerWaalsContact O-CG 3.29Å; R245-L249 WeakPolarHBondContact O-CG 3.48Å; R245-L249 PolarHBondContact O-N 3.47Å; R245-Y281 PolarHBondContact NH2-OH 3.33Å |
| 246 | Q | 90.1 | Very high | 87.5 | Confident | 69 Ų | 69 | 37.6 Ų | 37.6 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 174.4 | -60.9 | -174.9 | 23.2 | 0 | 0 | 112 | V241 S242 C243 F244 L249 H250 I284 | V241-Q246 HydrophobicContact CG1-CG 3.81Å; V241-Q246 PolarHBondContact O-NE2 3.36Å; S242-Q246 WeakPolarHBondContact O-CG 3.26Å; S242-Q246 PolarHBondContact O-N 3.14Å; C243-Q246 WeakPolarHBondContact O-CB 3.37Å; C243-Q246 PolarHBondContact O-N 3.25Å; C243-Q246 VanDerWaalsContact O-N 3.11Å; F244-Q246 VanDerWaalsContact C-N 3.33Å; F244-Q246 PolarHBondContact O-N 2.92Å; Q246-L249 PolarHBondContact O-N 2.94Å; Q246-H250 WeakPolarHBondContact O-CB 3.34Å; Q246-H250 PolarHBondContact O-N 2.75Å; Q246-I284 HydrophobicContact CB-CD1 4.37Å; Q246-I284 HydrophobicContact CG-CD1 3.91Å |
| 247 | E | 87.5 | Confident | 87.4 | Confident | 112 Ų | 112 | 35.1 Ų | 35.1 | 52% | 0.523 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68 | -40.6 | 175.8 | -71.8 | 176.7 | -171.7 | 0 | 0 | 112.2 | C243 F244 H250 T251 | C243-E247 PolarHBondContact O-N 3.33Å; F244-E247 PolarHBondContact O-N 3.47Å; E247-H250 PolarHBondContact O-N 3.27Å; E247-T251 WeakPolarHBondContact O-CB 3.41Å; E247-T251 PolarHBondContact O-N 2.8Å; E247-T251 PolarHBondContact O-OG1 3.41Å |
| 248 | L | 91.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 171.9 | -72.7 | 176.7 | 0 | 0 | 0 | 112.1 | V203 F219 L234 F244 T251 A252 | V203-L248 HydrophobicContact CG2-CD1 4.04Å; F219-L248 HydrophobicContact CB-CD2 3.87Å; F219-L248 HydrophobicContact CD2-CD1 3.56Å; F219-L248 HydrophobicContact CD2-CD2 3.74Å; F219-L248 HydrophobicContact CD2-CG 4.33Å; F219-L248 HydrophobicContact CE2-CD1 3.46Å; F219-L248 VanDerWaalsContact CE2-CD1 3.46Å; F219-L248 HydrophobicContact CE2-CD2 4.5Å; F219-L248 HydrophobicContact CG-CD1 4.26Å; F219-L248 HydrophobicContact CG-CD2 3.92Å; F219-L248 HydrophobicContact CZ-CD1 4.08Å; L234-L248 HydrophobicContact CD1-CB 3.93Å; L234-L248 HydrophobicContact CD2-CB 4.32Å; L234-L248 HydrophobicContact CD2-CD1 4.33Å; F244-L248 HydrophobicContact CD1-CD1 3.89Å; F244-L248 HydrophobicContact CD1-CG 4.5Å; F244-L248 HydrophobicContact CE1-CD1 3.43Å; F244-L248 VanDerWaalsContact CE1-CD1 3.43Å; F244-L248 HydrophobicContact CE1-CG 4.15Å; F244-L248 HydrophobicContact CZ-CD1 3.91Å; F244-L248 HydrophobicContact CZ-CD2 4.45Å; F244-L248 HydrophobicContact CZ-CG 4.23Å; F244-L248 WeakPolarHBondContact O-CG 3.42Å; F244-L248 PolarHBondContact O-N 3.07Å; L248-T251 PolarHBondContact O-N 3.24Å; L248-A252 WeakPolarHBondContact O-CB 3.44Å; L248-A252 PolarHBondContact O-N 3.07Å |
| 249 | L | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 173.6 | -81.1 | 168.9 | 0 | 0 | 0 | 111 | L231 L234 F235 V241 R245 Q246 T251 A252 L253 Y281 I284 | L231-L249 HydrophobicContact CD1-CD2 3.95Å; L234-L249 HydrophobicContact CB-CD2 3.54Å; L234-L249 HydrophobicContact CB-CG 4.07Å; L234-L249 HydrophobicContact CD1-CD2 4.44Å; F235-L249 HydrophobicContact CD1-CD2 3.96Å; F235-L249 HydrophobicContact CD2-CD2 4.33Å; F235-L249 HydrophobicContact CE1-CD1 4.32Å; F235-L249 HydrophobicContact CE1-CD2 3.84Å; F235-L249 HydrophobicContact CE2-CD2 4.25Å; F235-L249 HydrophobicContact CG-CD2 4.2Å; F235-L249 HydrophobicContact CZ-CD2 3.99Å; V241-L249 HydrophobicContact CG1-CD1 4.13Å; R245-L249 HydrophobicContact CG-CD1 4.3Å; R245-L249 VanDerWaalsContact O-CB 3.31Å; R245-L249 WeakPolarHBondContact O-CB 3.41Å; R245-L249 VanDerWaalsContact O-CG 3.29Å; R245-L249 WeakPolarHBondContact O-CG 3.48Å; R245-L249 PolarHBondContact O-N 3.47Å; Q246-L249 PolarHBondContact O-N 2.94Å; L249-T251 VanDerWaalsContact C-N 3.27Å; L249-T251 PolarHBondContact O-N 3.32Å; L249-A252 PolarHBondContact O-N 2.9Å; L249-L253 VanDerWaalsContact O-CB 3.26Å; L249-L253 WeakPolarHBondContact O-CB 3.27Å; L249-L253 WeakPolarHBondContact O-CD1 3.45Å; L249-L253 WeakPolarHBondContact O-CG 3.05Å; L249-L253 PolarHBondContact O-N 3.07Å; L249-Y281 HydrophobicContact CD1-CD1 4.5Å; L249-Y281 HydrophobicContact CD1-CE1 4.27Å; L249-I284 HydrophobicContact CB-CG2 4.32Å; L249-I284 HydrophobicContact CD1-CD1 4.05Å |
| 250 | H | 89.4 | Confident | 86.2 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -33.5 | 178.4 | -162 | -37.2 | 0 | 0 | 0 | 112.3 | Q246 E247 L254 H287 | Q246-H250 WeakPolarHBondContact O-CB 3.34Å; Q246-H250 PolarHBondContact O-N 2.75Å; E247-H250 PolarHBondContact O-N 3.27Å; H250-L254 WeakPolarHBondContact O-CG 3.36Å; H250-L254 PolarHBondContact O-N 3Å; H250-H287 AromaticContact CD2-ND1 3.56Å; H250-H287 AromaticContact NE2-CE1 3.68Å; H250-H287 AromaticContact NE2-ND1 3.2Å; H250-H287 PolarHBondContact NE2-ND1 2.95Å |
| 251 | T | 89.3 | Confident | 86 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.9 | -48.7 | 175.7 | -58 | 0 | 0 | 0 | 0 | 111.4 | V223 E247 L248 L249 L253 L254 A255 | V223-T251 HydrophobicContact CG1-CG2 3.93Å; V223-T251 HydrophobicContact CG2-CG2 4.14Å; E247-T251 WeakPolarHBondContact O-CB 3.41Å; E247-T251 PolarHBondContact O-N 2.8Å; E247-T251 PolarHBondContact O-OG1 3.41Å; L248-T251 PolarHBondContact O-N 3.24Å; L249-T251 VanDerWaalsContact C-N 3.27Å; L249-T251 PolarHBondContact O-N 3.32Å; T251-L253 PolarHBondContact O-N 2.93Å; T251-L254 PolarHBondContact O-N 3.13Å; T251-A255 PolarHBondContact O-N 2.86Å |
| 252 | A | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L230 L231 L234 L248 L249 L254 A255 V256 | L230-A252 HydrophobicContact CD2-CB 4.38Å; L231-A252 HydrophobicContact CB-CB 4.39Å; L231-A252 HydrophobicContact CD1-CB 4.19Å; L234-A252 HydrophobicContact CD1-CB 4.27Å; L248-A252 WeakPolarHBondContact O-CB 3.44Å; L248-A252 PolarHBondContact O-N 3.07Å; L249-A252 PolarHBondContact O-N 2.9Å; A252-L254 PolarHBondContact O-N 3.14Å; A252-A255 PolarHBondContact O-N 2.88Å; A252-V256 WeakPolarHBondContact O-CG2 3.37Å; A252-V256 PolarHBondContact O-N 3.41Å |
| 253 | L | 91.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 176.2 | -75.4 | 167.8 | 0 | 0 | 0 | 112 | L231 L249 T251 A255 V256 Y257 F267 I284 L285 | L231-L253 HydrophobicContact CD1-CD2 3.67Å; L231-L253 HydrophobicContact CD1-CG 3.76Å; L231-L253 HydrophobicContact CD2-CD2 3.83Å; L231-L253 HydrophobicContact CG-CD2 4.4Å; L249-L253 VanDerWaalsContact O-CB 3.26Å; L249-L253 WeakPolarHBondContact O-CB 3.27Å; L249-L253 WeakPolarHBondContact O-CD1 3.45Å; L249-L253 WeakPolarHBondContact O-CG 3.05Å; L249-L253 PolarHBondContact O-N 3.07Å; T251-L253 PolarHBondContact O-N 2.93Å; L253-A255 VanDerWaalsContact C-N 3.33Å; L253-A255 PolarHBondContact O-N 2.88Å; L253-V256 PolarHBondContact O-N 2.95Å; L253-Y257 HydrophobicContact CB-CE2 4.23Å; L253-Y257 HydrophobicContact CD2-CE1 4.18Å; L253-Y257 WeakPolarHBondContact O-CB 3.46Å; L253-Y257 VanDerWaalsContact O-CD1 3.29Å; L253-Y257 WeakPolarHBondContact O-CD1 3.46Å; L253-Y257 WeakPolarHBondContact O-CD2 3.28Å; L253-Y257 PolarHBondContact O-N 3.38Å; L253-F267 HydrophobicContact CD2-CD1 4.4Å; L253-F267 HydrophobicContact CD2-CE1 3.58Å; L253-F267 HydrophobicContact CD2-CZ 4.43Å; L253-I284 HydrophobicContact CD1-CG2 3.64Å; L253-L285 HydrophobicContact CD1-CD2 4.21Å; L253-L285 HydrophobicContact CD2-CD2 3.75Å |
| 254 | L | 85.5 | Confident | 86 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.5 | -72.8 | 169.7 | 0 | 0 | 0 | 112 | H250 T251 A252 Y257 D258 W292 | H250-L254 WeakPolarHBondContact O-CG 3.36Å; H250-L254 PolarHBondContact O-N 3Å; T251-L254 PolarHBondContact O-N 3.13Å; A252-L254 PolarHBondContact O-N 3.14Å; L254-Y257 PolarHBondContact O-N 2.93Å; L254-D258 PolarHBondContact O-N 2.93Å; L254-W292 HydrophobicContact CD2-CB 3.92Å; L254-W292 HydrophobicContact CD2-CG 4.34Å |
| 255 | A | 85.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -36.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | V223 P227 T251 A252 L253 | V223-A255 HydrophobicContact CG1-CB 4.19Å; P227-A255 HydrophobicContact CB-CB 3.81Å; P227-A255 HydrophobicContact CG-CB 4.24Å; T251-A255 PolarHBondContact O-N 2.86Å; A252-A255 PolarHBondContact O-N 2.88Å; L253-A255 VanDerWaalsContact C-N 3.33Å; L253-A255 PolarHBondContact O-N 2.88Å |
| 256 | V | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.9 | -35.6 | 173.1 | 174 | 0 | 0 | 0 | 0 | 111.7 | P227 V228 L231 A252 L253 D258 S259 P263 F267 | P227-V256 HydrophobicContact CB-CG2 3.93Å; V228-V256 HydrophobicContact CG2-CG2 3.99Å; L231-V256 HydrophobicContact CB-CG2 4.46Å; L231-V256 HydrophobicContact CD2-CB 4.37Å; L231-V256 HydrophobicContact CD2-CG1 4.47Å; L231-V256 HydrophobicContact CD2-CG2 3.89Å; A252-V256 WeakPolarHBondContact O-CG2 3.37Å; A252-V256 PolarHBondContact O-N 3.41Å; L253-V256 PolarHBondContact O-N 2.95Å; V256-D258 PolarHBondContact O-N 3.26Å; V256-S259 WeakPolarHBondContact O-CB 3.16Å; V256-S259 PolarHBondContact O-N 3.2Å; V256-S259 VanDerWaalsContact O-N 3.07Å; V256-S259 PolarHBondContact O-OG 3.46Å; V256-P263 VanDerWaalsContact CG1-CD 3.41Å; V256-P263 HydrophobicContact CG1-CG 3.73Å; V256-F267 HydrophobicContact CG1-CZ 3.93Å |
| 257 | Y | 86.5 | Confident | 85.8 | Confident | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.9 | -27.5 | -175.1 | -70.8 | -11.1 | 0 | 0 | 0 | 115.4 | L253 L254 S259 L262 F267 S288 V289 W292 F306 | L253-Y257 HydrophobicContact CB-CE2 4.23Å; L253-Y257 HydrophobicContact CD2-CE1 4.18Å; L253-Y257 WeakPolarHBondContact O-CB 3.46Å; L253-Y257 VanDerWaalsContact O-CD1 3.29Å; L253-Y257 WeakPolarHBondContact O-CD1 3.46Å; L253-Y257 WeakPolarHBondContact O-CD2 3.28Å; L253-Y257 PolarHBondContact O-N 3.38Å; L254-Y257 PolarHBondContact O-N 2.93Å; Y257-S259 PolarHBondContact O-N 3.21Å; Y257-L262 HydrophobicContact CD1-CD2 3.96Å; Y257-F267 HydrophobicContact CD1-CZ 4.37Å; Y257-F267 HydrophobicContact CE1-CE1 4.18Å; Y257-F267 AromaticContact CE1-CZ 3.8Å; Y257-F267 HydrophobicContact CE1-CZ 3.8Å; Y257-S288 PolarHBondContact OH-OG 3.5Å; Y257-V289 HydrophobicContact CE2-CG2 3.84Å; Y257-V289 WeakPolarHBondContact OH-CG2 3.17Å; Y257-W292 HydrophobicContact CD2-CB 4.26Å; Y257-W292 HydrophobicContact CD2-CG 4.35Å; Y257-F306 AromaticContact CD1-CE1 3.7Å; Y257-F306 HydrophobicContact CD1-CE1 3.7Å; Y257-F306 HydrophobicContact CD1-CZ 4.34Å; Y257-F306 AromaticContact CD2-CE1 3.67Å; Y257-F306 HydrophobicContact CD2-CE1 3.67Å; Y257-F306 AromaticContact CD2-CZ 3.94Å; Y257-F306 HydrophobicContact CD2-CZ 3.94Å; Y257-F306 AromaticContact CE1-CE1 3.97Å; Y257-F306 HydrophobicContact CE1-CE1 3.97Å; Y257-F306 AromaticContact CE2-CE1 3.94Å; Y257-F306 HydrophobicContact CE2-CE1 3.94Å; Y257-F306 AromaticContact CG-CE1 3.55Å; Y257-F306 HydrophobicContact CG-CE1 3.55Å; Y257-F306 AromaticContact CG-CZ 3.8Å; Y257-F306 HydrophobicContact CG-CZ 3.8Å |
| 258 | D | 77.1 | Confident | 85.8 | Confident | 86 Ų | 86 | 35.8 Ų | 35.8 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.2 | 172.5 | -77.7 | -42 | 0 | 0 | 0 | 113.3 | L254 V256 K302 | L254-D258 PolarHBondContact O-N 2.93Å; V256-D258 PolarHBondContact O-N 3.26Å; D258-K302 IonicContact OD1-NZ 2.67Å; D258-K302 PolarHBondContact OD1-NZ 3.19Å; D258-K302 VanDerWaalsContact OD1-NZ 3.12Å |
| 259 | S | 75 | Confident | 85.5 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -70 | 159.1 | 172.8 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | V256 Y257 R305 | V256-S259 WeakPolarHBondContact O-CB 3.16Å; V256-S259 PolarHBondContact O-N 3.2Å; V256-S259 VanDerWaalsContact O-N 3.07Å; V256-S259 PolarHBondContact O-OG 3.46Å; Y257-S259 PolarHBondContact O-N 3.21Å; S259-R305 PolarHBondContact O-NH1 3.32Å |
| 260 | H | 69.9 | Low | 85.2 | Confident | 151 Ų | 151 | 40.6 Ų | 40.6 | 70% | 0.699 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -72.6 | -36.9 | -180 | -79.8 | -91 | 0 | 0 | 0 | 113.6 | ||
| 261 | N | 76.1 | Confident | 85.2 | Confident | 140 Ų | 140 | 39.6 Ų | 39.6 | 75% | 0.749 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -115.4 | 127 | -179.9 | -63.9 | -7.1 | 0 | 0 | 0 | 109.3 | ||
| 262 | L | 83.9 | Confident | 85 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | trans | -82.5 | 131.2 | 174.4 | -71.6 | 179.1 | 0 | 0 | 0 | 110 | Y257 L264 F267 R305 F306 M309 | Y257-L262 HydrophobicContact CD1-CD2 3.96Å; L262-L264 HydrophobicContact CB-CD2 4.03Å; L262-L264 PolarHBondContact O-N 2.8Å; L262-F267 HydrophobicContact CB-CE2 4.05Å; L262-F267 HydrophobicContact CD2-CE2 4.19Å; L262-R305 HydrophobicContact CD1-CB 4.48Å; L262-F306 HydrophobicContact CD1-CD1 4.43Å; L262-M309 HydrophobicContact CD1-CB 4.16Å | ||
| 263 | P | 86.6 | Confident | 84.5 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | trans | -77.5 | 70.7 | 179.7 | 32.8 | -37.7 | 0 | 0 | 0 | 111.5 | V178 V228 V256 P265 I266 F267 | V178-P263 HydrophobicContact CG1-CB 4.04Å; V228-P263 HydrophobicContact CG1-CB 4.06Å; V228-P263 HydrophobicContact CG1-CG 4.19Å; V256-P263 VanDerWaalsContact CG1-CD 3.41Å; V256-P263 HydrophobicContact CG1-CG 3.73Å; P263-P265 VanDerWaalsContact C-CD 3.41Å; P263-P265 VanDerWaalsContact C-N 3.32Å; P263-P265 VanDerWaalsContact O-N 3.13Å; P263-I266 HydrophobicContact CB-CB 4.48Å; P263-I266 HydrophobicContact CB-CD1 3.79Å; P263-I266 HydrophobicContact CB-CG1 4.11Å; P263-I266 HydrophobicContact CG-CD1 4.04Å; P263-I266 WeakPolarHBondContact O-CB 3.42Å; P263-I266 PolarHBondContact O-N 3Å; P263-F267 HydrophobicContact CG-CE2 3.94Å; P263-F267 HydrophobicContact CG-CZ 4.04Å; P263-F267 PolarHBondContact O-N 2.9Å | ||
| 264 | L | 87.7 | Confident | 83.6 | Confident | 39 Ų | 39 | 52 Ų | 52 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -48.4 | -39.5 | -173.3 | -61.3 | -173.7 | 0 | 0 | 0 | 115.1 | L262 I266 F267 A268 M309 H312 | L262-L264 HydrophobicContact CB-CD2 4.03Å; L262-L264 PolarHBondContact O-N 2.8Å; L264-I266 VanDerWaalsContact C-N 3.34Å; L264-I266 PolarHBondContact O-N 3.11Å; L264-F267 HydrophobicContact CD2-CD2 4.38Å; L264-F267 PolarHBondContact O-N 3.37Å; L264-A268 WeakPolarHBondContact O-CB 3.48Å; L264-A268 PolarHBondContact O-N 3.06Å; L264-M309 HydrophobicContact CD2-CB 3.72Å; L264-M309 HydrophobicContact CD2-CG 3.89Å; L264-H312 HydrophobicContact CD1-CB 4.31Å |
| 265 | P | 86.7 | Confident | 83.1 | Confident | 51 Ų | 51 | 53 Ų | 53 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.5 | -28.7 | 177.7 | -21.5 | 33.7 | 0 | 0 | 0 | 114.5 | V175 V178 P263 K269 | V175-P265 HydrophobicContact CG1-CB 4.5Å; V178-P265 HydrophobicContact CG2-CB 3.65Å; V178-P265 HydrophobicContact CG2-CG 3.58Å; P263-P265 VanDerWaalsContact C-CD 3.41Å; P263-P265 VanDerWaalsContact C-N 3.32Å; P263-P265 VanDerWaalsContact O-N 3.13Å; P265-K269 WeakPolarHBondContact O-CB 3.28Å; P265-K269 PolarHBondContact O-N 3.15Å |
| 266 | I | 89.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 172.4 | -58.6 | 178.6 | 0 | 0 | 0 | 109.1 | V175 V178 L180 V228 L231 A232 F235 P263 L264 A268 K269 A270 | V175-I266 HydrophobicContact CB-CG1 4.42Å; V175-I266 HydrophobicContact CG1-CG1 4.08Å; V175-I266 HydrophobicContact CG2-CG1 4.28Å; V178-I266 HydrophobicContact CG1-CD1 4.17Å; V178-I266 HydrophobicContact CG1-CG1 4.4Å; V178-I266 HydrophobicContact CG2-CG1 4.3Å; L180-I266 HydrophobicContact CD2-CD1 3.91Å; V228-I266 HydrophobicContact CG1-CD1 3.59Å; L231-I266 HydrophobicContact CD2-CG2 4.39Å; L231-I266 HydrophobicContact CG-CG2 4.39Å; A232-I266 HydrophobicContact CB-CD1 4.07Å; F235-I266 HydrophobicContact CD2-CG2 3.84Å; F235-I266 HydrophobicContact CE2-CG2 4.24Å; P263-I266 HydrophobicContact CB-CB 4.48Å; P263-I266 HydrophobicContact CB-CD1 3.79Å; P263-I266 HydrophobicContact CB-CG1 4.11Å; P263-I266 HydrophobicContact CG-CD1 4.04Å; P263-I266 WeakPolarHBondContact O-CB 3.42Å; P263-I266 PolarHBondContact O-N 3Å; L264-I266 VanDerWaalsContact C-N 3.34Å; L264-I266 PolarHBondContact O-N 3.11Å; I266-A268 VanDerWaalsContact C-N 3.35Å; I266-A268 PolarHBondContact O-N 3.08Å; I266-K269 PolarHBondContact O-N 3.38Å; I266-A270 WeakPolarHBondContact O-CB 3.26Å; I266-A270 PolarHBondContact O-N 2.92Å |
| 267 | F | 91.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 178.2 | -57.8 | -47.9 | 0 | 0 | 0 | 111.9 | L231 L253 V256 Y257 L262 P263 L264 A270 W271 L285 M309 L313 | L231-F267 HydrophobicContact CD2-CE1 3.78Å; L231-F267 HydrophobicContact CD2-CZ 4.28Å; L253-F267 HydrophobicContact CD2-CD1 4.4Å; L253-F267 HydrophobicContact CD2-CE1 3.58Å; L253-F267 HydrophobicContact CD2-CZ 4.43Å; V256-F267 HydrophobicContact CG1-CZ 3.93Å; Y257-F267 HydrophobicContact CD1-CZ 4.37Å; Y257-F267 HydrophobicContact CE1-CE1 4.18Å; Y257-F267 AromaticContact CE1-CZ 3.8Å; Y257-F267 HydrophobicContact CE1-CZ 3.8Å; L262-F267 HydrophobicContact CB-CE2 4.05Å; L262-F267 HydrophobicContact CD2-CE2 4.19Å; P263-F267 HydrophobicContact CG-CE2 3.94Å; P263-F267 HydrophobicContact CG-CZ 4.04Å; P263-F267 PolarHBondContact O-N 2.9Å; L264-F267 HydrophobicContact CD2-CD2 4.38Å; L264-F267 PolarHBondContact O-N 3.37Å; F267-A270 PolarHBondContact O-N 3.48Å; F267-W271 WeakPolarHBondContact O-CB 3.47Å; F267-W271 PolarHBondContact O-N 2.94Å; F267-L285 HydrophobicContact CD1-CD2 3.68Å; F267-L285 HydrophobicContact CE1-CD2 4.09Å; F267-M309 HydrophobicContact CB-CG 4.37Å; F267-M309 HydrophobicContact CB-SD 4.26Å; F267-M309 HydrophobicContact CD1-SD 4.35Å; F267-M309 HydrophobicContact CD2-CG 3.96Å; F267-M309 HydrophobicContact CD2-SD 3.42Å; F267-M309 WeakPolarHBondContact CD2-SD 3.08Å; F267-M309 HydrophobicContact CE2-SD 3.73Å; F267-M309 HydrophobicContact CG-CG 4.39Å; F267-M309 HydrophobicContact CG-SD 3.77Å; F267-M309 HydrophobicContact CZ-SD 4.33Å; F267-L313 HydrophobicContact CB-CD1 4.28Å; F267-L313 HydrophobicContact CB-CD2 4.13Å |
| 268 | A | 87.2 | Confident | 81.7 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L264 I266 W271 N272 L313 | L264-A268 WeakPolarHBondContact O-CB 3.48Å; L264-A268 PolarHBondContact O-N 3.06Å; I266-A268 VanDerWaalsContact C-N 3.35Å; I266-A268 PolarHBondContact O-N 3.08Å; A268-W271 PolarHBondContact O-N 3.47Å; A268-N272 WeakPolarHBondContact O-CB 3.41Å; A268-N272 PolarHBondContact O-N 3.44Å; A268-L313 VanDerWaalsContact CA-CD2 3.45Å; A268-L313 HydrophobicContact CB-CD2 4.06Å |
| 269 | K | 84.5 | Confident | 82 | Confident | 103 Ų | 103 | 57 Ų | 57 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.5 | -171.8 | 176.4 | 180 | -178.2 | 0 | 112.2 | P265 I266 D273 | P265-K269 WeakPolarHBondContact O-CB 3.28Å; P265-K269 PolarHBondContact O-N 3.15Å; I266-K269 PolarHBondContact O-N 3.38Å; K269-D273 WeakPolarHBondContact O-CA 3.35Å; K269-D273 PolarHBondContact O-N 2.54Å |
| 270 | A | 87.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.2 | -30.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F235 I266 F267 Y281 L285 | F235-A270 HydrophobicContact CD1-CB 3.62Å; F235-A270 HydrophobicContact CD2-CB 3.92Å; F235-A270 HydrophobicContact CE1-CB 3.6Å; F235-A270 HydrophobicContact CE2-CB 3.87Å; F235-A270 HydrophobicContact CG-CB 3.81Å; F235-A270 HydrophobicContact CZ-CB 3.72Å; I266-A270 WeakPolarHBondContact O-CB 3.26Å; I266-A270 PolarHBondContact O-N 2.92Å; F267-A270 PolarHBondContact O-N 3.48Å; A270-Y281 VanDerWaalsContact O-CB 3.31Å; A270-Y281 WeakPolarHBondContact O-CB 3.14Å; A270-L285 HydrophobicContact CB-CD1 4.14Å |
| 271 | W | 89.2 | Confident | 83.4 | Confident | 16 Ų | 16 | 49 Ų | 49 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.4 | -30.9 | 177.7 | -170.3 | -93.6 | 0 | 0 | 0 | 112.6 | F267 A268 R282 L285 V286 L313 A315 A318 F319 | F267-W271 WeakPolarHBondContact O-CB 3.47Å; F267-W271 PolarHBondContact O-N 2.94Å; A268-W271 PolarHBondContact O-N 3.47Å; W271-R282 HydrophobicContact CD2-CG 3.78Å; W271-R282 HydrophobicContact CE3-CB 4.18Å; W271-R282 HydrophobicContact CE3-CG 3.8Å; W271-R282 HydrophobicContact CG-CG 4.28Å; W271-R282 HydrophobicContact CH2-CB 4.25Å; W271-R282 HydrophobicContact CH2-CG 4.3Å; W271-R282 HydrophobicContact CZ2-CG 4.28Å; W271-R282 HydrophobicContact CZ3-CB 4Å; W271-R282 HydrophobicContact CZ3-CG 4.08Å; W271-R282 PolarHBondContact O-NE 2.63Å; W271-R282 PolarHBondContact O-NH2 2.88Å; W271-L285 HydrophobicContact CB-CD1 4.47Å; W271-L285 HydrophobicContact CE3-CB 4.22Å; W271-L285 HydrophobicContact CE3-CD1 4Å; W271-L285 HydrophobicContact CZ3-CB 4.23Å; W271-V286 HydrophobicContact CH2-CG2 3.83Å; W271-V286 HydrophobicContact CZ3-CG2 3.92Å; W271-L313 HydrophobicContact CB-CD1 4.3Å; W271-L313 HydrophobicContact CB-CD2 3.83Å; W271-L313 HydrophobicContact CB-CG 4.48Å; W271-L313 HydrophobicContact CD2-CB 4.22Å; W271-L313 HydrophobicContact CD2-CD1 4.04Å; W271-L313 HydrophobicContact CE3-CD1 3.97Å; W271-L313 HydrophobicContact CG-CB 4.1Å; W271-L313 HydrophobicContact CG-CD1 4.19Å; W271-L313 HydrophobicContact CG-CD2 4.15Å; W271-L313 HydrophobicContact CG-CG 4.36Å; W271-L313 PolarHBondContact NE1-O 3.39Å; W271-L313 VanDerWaalsContact NE1-O 3.13Å; W271-A315 HydrophobicContact CD2-CB 4.47Å; W271-A315 HydrophobicContact CH2-CB 3.65Å; W271-A315 HydrophobicContact CZ2-CB 3.26Å; W271-A315 HydrophobicContact CZ3-CB 4.37Å; W271-A318 HydrophobicContact CH2-CB 4.11Å; W271-A318 HydrophobicContact CZ2-CB 4.23Å; W271-F319 HydrophobicContact CH2-CE2 4.05Å; W271-F319 HydrophobicContact CZ3-CE2 4.17Å |
| 272 | N | 85.3 | Confident | 84.1 | Confident | 93 Ų | 93 | 46 Ų | 46 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -109.2 | 19.9 | 178.9 | -63.1 | -26 | 0 | 0 | 0 | 112.7 | A268 E274 R282 | A268-N272 WeakPolarHBondContact O-CB 3.41Å; A268-N272 PolarHBondContact O-N 3.44Å; N272-E274 PolarHBondContact O-N 3.05Å; N272-R282 PolarHBondContact OD1-NH2 2.75Å |
| 273 | D | 78.9 | Confident | 84.3 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | trans | -56.2 | 133.7 | 174.5 | -162.6 | -56.6 | 0 | 0 | 0 | 109.8 | K269 T275 Q278 Y281 | K269-D273 WeakPolarHBondContact O-CA 3.35Å; K269-D273 PolarHBondContact O-N 2.54Å; D273-T275 VanDerWaalsContact OD1-CB 3.27Å; D273-T275 WeakPolarHBondContact OD1-CB 3.35Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.35Å; D273-T275 PolarHBondContact OD1-N 2.79Å; D273-T275 PolarHBondContact OD1-OG1 3.02Å; D273-Q278 WeakPolarHBondContact O-CB 3.21Å; D273-Q278 WeakPolarHBondContact O-CG 3.46Å; D273-Q278 PolarHBondContact O-NE2 3.26Å; D273-Y281 HydrophobicContact CB-CD2 4.06Å; D273-Y281 HydrophobicContact CB-CE2 4.35Å; D273-Y281 WeakPolarHBondContact OD2-CE2 3.25Å | ||
| 274 | E | 73 | Confident | 84.4 | Confident | 192 Ų | 192 | 49.2 Ų | 49.2 | 90% | 0.897 | 25% | 0.25 | S | S | * | . | trans | -92.8 | -3.7 | -176.5 | -64.6 | -178.3 | 162.3 | 0 | 0 | 112.9 | N272 | N272-E274 PolarHBondContact O-N 3.05Š| ||
| 275 | T | 75.4 | Confident | 84.6 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -76 | 167.2 | 174.8 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | D273 C277 Q278 | D273-T275 VanDerWaalsContact OD1-CB 3.27Å; D273-T275 WeakPolarHBondContact OD1-CB 3.35Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.35Å; D273-T275 PolarHBondContact OD1-N 2.79Å; D273-T275 PolarHBondContact OD1-OG1 3.02Å; T275-C277 PolarHBondContact O-N 3.45Å; T275-C277 WeakPolarHBondContact OG1-CB 3.33Å; T275-C277 PolarHBondContact OG1-N 3.32Å; T275-Q278 PolarHBondContact O-N 2.96Å |
| 276 | E | 70.5 | Confident | 84.8 | Confident | 154 Ų | 154 | 46 Ų | 46 | 72% | 0.72 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -21.2 | 172.2 | -58.6 | -178.1 | 160.9 | 0 | 0 | 113.3 | Q278 | E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 3.4Å |
| 277 | C | 78.6 | Confident | 84.8 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.3 | 177.6 | -56.4 | 0 | 0 | 0 | 0 | 114.6 | V241 T275 S279 T280 Y281 | V241-C277 HydrophobicContact CG2-CB 3.84Å; V241-C277 VanDerWaalsContact CG2-SG 3.51Å; T275-C277 PolarHBondContact O-N 3.45Å; T275-C277 WeakPolarHBondContact OG1-CB 3.33Å; T275-C277 PolarHBondContact OG1-N 3.32Å; C277-S279 PolarHBondContact O-N 2.76Å; C277-T280 CarbonylContact O-C 3.54Å; C277-T280 WeakPolarHBondContact O-CA 3.05Å; C277-T280 WeakPolarHBondContact O-CB 3.33Å; C277-T280 PolarHBondContact O-N 2.98Å; C277-Y281 HydrophobicContact CB-CD2 3.91Å; C277-Y281 HydrophobicContact CB-CE1 4.12Å; C277-Y281 HydrophobicContact CB-CE2 3.44Å; C277-Y281 VanDerWaalsContact CB-CE2 3.44Å; C277-Y281 HydrophobicContact CB-CG 4.43Å; C277-Y281 PolarHBondContact O-N 3.03Å |
| 278 | Q | 81.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 51 Ų | 51 | 15% | 0.15 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -49.9 | -51.1 | -172.8 | -168.6 | -170 | 91.5 | 0 | 0 | 113.3 | D273 T275 E276 T280 Y281 R282 | D273-Q278 WeakPolarHBondContact O-CB 3.21Å; D273-Q278 WeakPolarHBondContact O-CG 3.46Å; D273-Q278 PolarHBondContact O-NE2 3.26Å; T275-Q278 PolarHBondContact O-N 2.96Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 3.4Å; Q278-T280 VanDerWaalsContact C-N 3.26Å; Q278-T280 PolarHBondContact O-N 3.35Å; Q278-Y281 PolarHBondContact O-N 3.15Å; Q278-R282 WeakPolarHBondContact O-CB 3.32Å; Q278-R282 WeakPolarHBondContact O-CG 3.42Å; Q278-R282 PolarHBondContact O-N 3.44Å |
| 279 | S | 82.9 | Confident | 84.7 | Confident | 17 Ų | 17 | 50 Ų | 50 | 12% | 0.119 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -32.7 | -178.4 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | C277 N283 H1034 Q1036 | C277-S279 PolarHBondContact O-N 2.76Å; S279-N283 WeakPolarHBondContact O-CB 3.44Å; S279-N283 PolarHBondContact O-N 3.21Å; S279-N283 VanDerWaalsContact O-N 3.14Å; S279-N283 PolarHBondContact O-ND2 3.11Å; S279-H1034 PolarHBondContact OG-ND1 3.35Å; S279-Q1036 PolarHBondContact OG-OE1 2.71Å |
| 280 | T | 85.8 | Confident | 84.9 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.1 | -46.1 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | V241 C277 Q278 N283 I284 | V241-T280 HydrophobicContact CB-CG2 4.01Å; V241-T280 HydrophobicContact CG1-CG2 4.21Å; V241-T280 HydrophobicContact CG2-CG2 4.34Å; C277-T280 CarbonylContact O-C 3.54Å; C277-T280 WeakPolarHBondContact O-CA 3.05Å; C277-T280 WeakPolarHBondContact O-CB 3.33Å; C277-T280 PolarHBondContact O-N 2.98Å; Q278-T280 VanDerWaalsContact C-N 3.26Å; Q278-T280 PolarHBondContact O-N 3.35Å; T280-N283 PolarHBondContact O-N 2.82Å; T280-I284 HydrophobicContact CG2-CD1 3.85Å; T280-I284 HydrophobicContact CG2-CG1 4.49Å; T280-I284 VanDerWaalsContact O-CG1 3.27Å; T280-I284 WeakPolarHBondContact O-CG1 3.21Å; T280-I284 PolarHBondContact O-N 2.85Å |
| 281 | Y | 90.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 176.9 | -63.5 | -28.5 | 0 | 0 | 0 | 112.8 | F235 V241 R245 L249 A270 D273 C277 Q278 N283 I284 L285 | F235-Y281 AromaticContact CD1-CD1 3.78Å; F235-Y281 HydrophobicContact CD1-CD1 3.78Å; F235-Y281 HydrophobicContact CD1-CD2 4.2Å; F235-Y281 AromaticContact CD1-CE1 3.83Å; F235-Y281 HydrophobicContact CD1-CE1 3.83Å; F235-Y281 HydrophobicContact CD1-CE2 4.24Å; F235-Y281 AromaticContact CD1-CG 3.98Å; F235-Y281 HydrophobicContact CD1-CG 3.98Å; F235-Y281 AromaticContact CE1-CD1 3.73Å; F235-Y281 HydrophobicContact CE1-CD1 3.73Å; F235-Y281 HydrophobicContact CE1-CE1 4.22Å; F235-Y281 AromaticContact CE1-CG 3.93Å; F235-Y281 HydrophobicContact CE1-CG 3.93Å; F235-Y281 PolarHBondContact O-OH 2.92Å; V241-Y281 HydrophobicContact CG1-CE1 4.1Å; V241-Y281 HydrophobicContact CG2-CD1 4.36Å; V241-Y281 HydrophobicContact CG2-CE1 3.58Å; R245-Y281 PolarHBondContact NH2-OH 3.33Å; L249-Y281 HydrophobicContact CD1-CD1 4.5Å; L249-Y281 HydrophobicContact CD1-CE1 4.27Å; A270-Y281 VanDerWaalsContact O-CB 3.31Å; A270-Y281 WeakPolarHBondContact O-CB 3.14Å; D273-Y281 HydrophobicContact CB-CD2 4.06Å; D273-Y281 HydrophobicContact CB-CE2 4.35Å; D273-Y281 WeakPolarHBondContact OD2-CE2 3.25Å; C277-Y281 HydrophobicContact CB-CD2 3.91Å; C277-Y281 HydrophobicContact CB-CE1 4.12Å; C277-Y281 HydrophobicContact CB-CE2 3.44Å; C277-Y281 VanDerWaalsContact CB-CE2 3.44Å; C277-Y281 HydrophobicContact CB-CG 4.43Å; C277-Y281 PolarHBondContact O-N 3.03Å; Q278-Y281 PolarHBondContact O-N 3.15Å; Y281-N283 VanDerWaalsContact C-N 3.35Å; Y281-N283 PolarHBondContact O-N 3.42Å; Y281-I284 HydrophobicContact CD1-CD1 4.46Å; Y281-I284 PolarHBondContact O-N 3.03Å; Y281-L285 WeakPolarHBondContact O-CB 3.29Å; Y281-L285 WeakPolarHBondContact O-CG 3.36Å; Y281-L285 PolarHBondContact O-N 3.35Å |
| 282 | R | 90.5 | Very high | 84.7 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.5 | -47.2 | 171.7 | -73.1 | -178.7 | 174.7 | 170.1 | 2.2 | 111.3 | W271 N272 Q278 L285 V286 | W271-R282 HydrophobicContact CD2-CG 3.78Å; W271-R282 HydrophobicContact CE3-CB 4.18Å; W271-R282 HydrophobicContact CE3-CG 3.8Å; W271-R282 HydrophobicContact CG-CG 4.28Å; W271-R282 HydrophobicContact CH2-CB 4.25Å; W271-R282 HydrophobicContact CH2-CG 4.3Å; W271-R282 HydrophobicContact CZ2-CG 4.28Å; W271-R282 HydrophobicContact CZ3-CB 4Å; W271-R282 HydrophobicContact CZ3-CG 4.08Å; W271-R282 PolarHBondContact O-NE 2.63Å; W271-R282 PolarHBondContact O-NH2 2.88Å; N272-R282 PolarHBondContact OD1-NH2 2.75Å; Q278-R282 WeakPolarHBondContact O-CB 3.32Å; Q278-R282 WeakPolarHBondContact O-CG 3.42Å; Q278-R282 PolarHBondContact O-N 3.44Å; R282-L285 PolarHBondContact O-N 3Å; R282-V286 WeakPolarHBondContact O-CG2 3.23Å; R282-V286 PolarHBondContact O-N 3.16Å |
| 283 | N | 87.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 41.7 Ų | 41.7 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 177 | -74 | -20.7 | 0 | 0 | 0 | 112.7 | S279 T280 Y281 V286 H287 | S279-N283 WeakPolarHBondContact O-CB 3.44Å; S279-N283 PolarHBondContact O-N 3.21Å; S279-N283 VanDerWaalsContact O-N 3.14Å; S279-N283 PolarHBondContact O-ND2 3.11Å; T280-N283 PolarHBondContact O-N 2.82Å; Y281-N283 VanDerWaalsContact C-N 3.35Å; Y281-N283 PolarHBondContact O-N 3.42Å; N283-V286 PolarHBondContact O-N 2.95Å; N283-H287 VanDerWaalsContact O-CB 3.29Å; N283-H287 WeakPolarHBondContact O-CB 3.37Å; N283-H287 PolarHBondContact O-N 3.3Å |
| 284 | I | 89.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 177 | -69.9 | 164.6 | 0 | 0 | 0 | 110.8 | V241 Q246 L249 L253 T280 Y281 V286 H287 S288 | V241-I284 HydrophobicContact CG1-CD1 4.22Å; Q246-I284 HydrophobicContact CB-CD1 4.37Å; Q246-I284 HydrophobicContact CG-CD1 3.91Å; L249-I284 HydrophobicContact CB-CG2 4.32Å; L249-I284 HydrophobicContact CD1-CD1 4.05Å; L253-I284 HydrophobicContact CD1-CG2 3.64Å; T280-I284 HydrophobicContact CG2-CD1 3.85Å; T280-I284 HydrophobicContact CG2-CG1 4.49Å; T280-I284 VanDerWaalsContact O-CG1 3.27Å; T280-I284 WeakPolarHBondContact O-CG1 3.21Å; T280-I284 PolarHBondContact O-N 2.85Å; Y281-I284 HydrophobicContact CD1-CD1 4.46Å; Y281-I284 PolarHBondContact O-N 3.03Å; I284-V286 VanDerWaalsContact C-N 3.34Å; I284-V286 PolarHBondContact O-N 3.45Å; I284-H287 PolarHBondContact O-N 3.16Å; I284-S288 WeakPolarHBondContact O-CB 3.33Å; I284-S288 PolarHBondContact O-N 3.05Å; I284-S288 PolarHBondContact O-OG 3.17Å |
| 285 | L | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -33.6 | 179 | -73.1 | 170.4 | 0 | 0 | 0 | 112.9 | F235 L253 F267 A270 W271 Y281 R282 S288 V289 | F235-L285 HydrophobicContact CZ-CD2 4.13Å; F235-L285 HydrophobicContact CZ-CG 4.38Å; L253-L285 HydrophobicContact CD1-CD2 4.21Å; L253-L285 HydrophobicContact CD2-CD2 3.75Å; F267-L285 HydrophobicContact CD1-CD2 3.68Å; F267-L285 HydrophobicContact CE1-CD2 4.09Å; A270-L285 HydrophobicContact CB-CD1 4.14Å; W271-L285 HydrophobicContact CB-CD1 4.47Å; W271-L285 HydrophobicContact CE3-CB 4.22Å; W271-L285 HydrophobicContact CE3-CD1 4Å; W271-L285 HydrophobicContact CZ3-CB 4.23Å; Y281-L285 WeakPolarHBondContact O-CB 3.29Å; Y281-L285 WeakPolarHBondContact O-CG 3.36Å; Y281-L285 PolarHBondContact O-N 3.35Å; R282-L285 PolarHBondContact O-N 3Å; L285-S288 PolarHBondContact O-OG 2.59Å; L285-S288 VanDerWaalsContact O-OG 3.13Å; L285-V289 WeakPolarHBondContact O-CG2 3.03Å |
| 286 | V | 90.5 | Very high | 85.4 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 13% | 0.127 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -50.3 | 171.2 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | W271 R282 N283 I284 S288 V289 V290 F319 V322 | W271-V286 HydrophobicContact CH2-CG2 3.83Å; W271-V286 HydrophobicContact CZ3-CG2 3.92Å; R282-V286 WeakPolarHBondContact O-CG2 3.23Å; R282-V286 PolarHBondContact O-N 3.16Å; N283-V286 PolarHBondContact O-N 2.95Å; I284-V286 VanDerWaalsContact C-N 3.34Å; I284-V286 PolarHBondContact O-N 3.45Å; V286-S288 PolarHBondContact O-N 3.04Å; V286-V289 PolarHBondContact O-N 2.84Å; V286-V290 HydrophobicContact CG1-CG2 4.33Å; V286-V290 WeakPolarHBondContact O-CG2 3.4Å; V286-V290 PolarHBondContact O-N 3.1Å; V286-V290 VanDerWaalsContact O-N 3.14Å; V286-F319 HydrophobicContact CB-CE1 4.2Å; V286-F319 HydrophobicContact CB-CZ 4.35Å; V286-F319 HydrophobicContact CG1-CD1 4.28Å; V286-F319 HydrophobicContact CG1-CE1 4.31Å; V286-F319 HydrophobicContact CG2-CD1 4.35Å; V286-F319 HydrophobicContact CG2-CD2 4.25Å; V286-F319 HydrophobicContact CG2-CE1 4.03Å; V286-F319 HydrophobicContact CG2-CE2 3.9Å; V286-F319 HydrophobicContact CG2-CG 4.47Å; V286-F319 HydrophobicContact CG2-CZ 3.79Å; V286-V322 HydrophobicContact CG1-CG2 3.41Å; V286-V322 VanDerWaalsContact CG1-CG2 3.41Å |
| 287 | H | 89.2 | Confident | 85.4 | Confident | 110 Ų | 110 | 37 Ų | 37 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.4 | -39.4 | -176.7 | -174.1 | -81.6 | 0 | 0 | 0 | 112.9 | H250 N283 I284 V290 S291 | H250-H287 AromaticContact CD2-ND1 3.56Å; H250-H287 AromaticContact NE2-CE1 3.68Å; H250-H287 AromaticContact NE2-ND1 3.2Å; H250-H287 PolarHBondContact NE2-ND1 2.95Å; N283-H287 VanDerWaalsContact O-CB 3.29Å; N283-H287 WeakPolarHBondContact O-CB 3.37Å; N283-H287 PolarHBondContact O-N 3.3Å; I284-H287 PolarHBondContact O-N 3.16Å; H287-V290 PolarHBondContact O-N 2.85Å; H287-S291 VanDerWaalsContact O-CB 3.22Å; H287-S291 WeakPolarHBondContact O-CB 3.47Å; H287-S291 PolarHBondContact O-N 3.02Å |
| 288 | S | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | -178.9 | 56 | 0 | 0 | 0 | 0 | 112.4 | Y257 I284 L285 V286 W292 | Y257-S288 PolarHBondContact OH-OG 3.5Å; I284-S288 WeakPolarHBondContact O-CB 3.33Å; I284-S288 PolarHBondContact O-N 3.05Å; I284-S288 PolarHBondContact O-OG 3.17Å; L285-S288 PolarHBondContact O-OG 2.59Å; L285-S288 VanDerWaalsContact O-OG 3.13Å; V286-S288 PolarHBondContact O-N 3.04Å; S288-W292 WeakPolarHBondContact O-CB 3.38Å; S288-W292 PolarHBondContact O-N 3.03Å |
| 289 | V | 88.8 | Confident | 84 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 177.2 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | Y257 L285 V286 W292 Y293 F306 M309 F319 F327 | Y257-V289 HydrophobicContact CE2-CG2 3.84Å; Y257-V289 WeakPolarHBondContact OH-CG2 3.17Å; L285-V289 WeakPolarHBondContact O-CG2 3.03Å; V286-V289 PolarHBondContact O-N 2.84Å; V289-W292 PolarHBondContact O-N 3.02Å; V289-Y293 PolarHBondContact O-N 2.82Å; V289-F306 HydrophobicContact CB-CD1 4.3Å; V289-F306 HydrophobicContact CB-CE1 4.44Å; V289-F306 HydrophobicContact CG1-CB 4.26Å; V289-F306 HydrophobicContact CG1-CD1 3.73Å; V289-F306 HydrophobicContact CG1-CE1 4.14Å; V289-F306 HydrophobicContact CG1-CG 3.98Å; V289-F306 HydrophobicContact CG2-CD1 3.66Å; V289-F306 HydrophobicContact CG2-CE1 3.85Å; V289-M309 HydrophobicContact CG2-CE 3.69Å; V289-F319 HydrophobicContact CB-CE1 3.96Å; V289-F319 HydrophobicContact CG1-CE1 4.21Å; V289-F319 HydrophobicContact CG2-CE1 4.18Å; V289-F319 HydrophobicContact CG2-CZ 4.46Å; V289-F327 HydrophobicContact CG1-CE2 4.2Å; V289-F327 HydrophobicContact CG1-CZ 4.25Å |
| 290 | V | 88.1 | Confident | 83 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 178 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | V286 H287 W292 Y293 E294 V322 Q324 F327 | V286-V290 HydrophobicContact CG1-CG2 4.33Å; V286-V290 WeakPolarHBondContact O-CG2 3.4Å; V286-V290 PolarHBondContact O-N 3.1Å; V286-V290 VanDerWaalsContact O-N 3.14Å; H287-V290 PolarHBondContact O-N 2.85Å; V290-W292 PolarHBondContact O-N 3.33Å; V290-Y293 PolarHBondContact O-N 3.02Å; V290-E294 WeakPolarHBondContact O-CG 2.99Å; V290-E294 PolarHBondContact O-N 2.91Å; V290-V322 HydrophobicContact CB-CG1 4.48Å; V290-V322 HydrophobicContact CG1-CG1 3.98Å; V290-V322 HydrophobicContact CG2-CG1 3.75Å; V290-V322 HydrophobicContact CG2-CG2 4.19Å; V290-Q324 HydrophobicContact CG1-CB 3.94Å; V290-Q324 VanDerWaalsContact CG1-CD 3.47Å; V290-Q324 HydrophobicContact CG1-CG 3.61Å; V290-F327 HydrophobicContact CG2-CD1 3.96Å; V290-F327 HydrophobicContact CG2-CE1 3.83Å; V290-F327 HydrophobicContact CG2-CE2 4.45Å; V290-F327 HydrophobicContact CG2-CG 4.34Å; V290-F327 HydrophobicContact CG2-CZ 4.09Å |
| 291 | S | 84.6 | Confident | 81.8 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 12% | 0.119 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | 174.1 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | H287 K295 | H287-S291 VanDerWaalsContact O-CB 3.22Å; H287-S291 WeakPolarHBondContact O-CB 3.47Å; H287-S291 PolarHBondContact O-N 3.02Å; S291-K295 WeakPolarHBondContact O-CB 3.13Å; S291-K295 WeakPolarHBondContact O-CD 3.35Å; S291-K295 VanDerWaalsContact O-CG 3.24Å; S291-K295 WeakPolarHBondContact O-CG 3.09Å; S291-K295 PolarHBondContact O-N 2.63Å; S291-K295 VanDerWaalsContact O-N 3.09Å; S291-K295 WeakPolarHBondContact OG-CE 2.87Å; S291-K295 PolarHBondContact OG-NZ 2.72Å |
| 292 | W | 87 | Confident | 80.7 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 173.2 | -179.1 | 96.4 | 0 | 0 | 0 | 111 | L254 Y257 S288 V289 V290 K295 N296 E299 K302 F306 | L254-W292 HydrophobicContact CD2-CB 3.92Å; L254-W292 HydrophobicContact CD2-CG 4.34Å; Y257-W292 HydrophobicContact CD2-CB 4.26Å; Y257-W292 HydrophobicContact CD2-CG 4.35Å; S288-W292 WeakPolarHBondContact O-CB 3.38Å; S288-W292 PolarHBondContact O-N 3.03Å; V289-W292 PolarHBondContact O-N 3.02Å; V290-W292 PolarHBondContact O-N 3.33Å; W292-K295 PolarHBondContact O-N 3.27Å; W292-N296 HydrophobicContact CH2-CB 4Å; W292-N296 HydrophobicContact CZ2-CB 3.96Å; W292-N296 HydrophobicContact CZ3-CB 4.44Å; W292-N296 PolarHBondContact NE1-ND2 2.74Å; W292-N296 WeakPolarHBondContact O-CB 3.17Å; W292-N296 PolarHBondContact O-N 2.84Å; W292-N296 PolarHBondContact O-ND2 3.28Å; W292-E299 HydrophobicContact CH2-CB 4.16Å; W292-K302 HydrophobicContact CH2-CB 3.63Å; W292-K302 HydrophobicContact CH2-CD 3.97Å; W292-K302 HydrophobicContact CH2-CG 4.49Å; W292-K302 HydrophobicContact CZ2-CB 4.07Å; W292-K302 HydrophobicContact CZ2-CD 3.61Å; W292-F306 AromaticContact CD2-CE2 3.9Å; W292-F306 HydrophobicContact CD2-CE2 3.9Å; W292-F306 AromaticContact CD2-CZ 3.8Å; W292-F306 HydrophobicContact CD2-CZ 3.8Å; W292-F306 HydrophobicContact CE3-CD2 4.49Å; W292-F306 AromaticContact CE3-CE2 3.57Å; W292-F306 HydrophobicContact CE3-CE2 3.57Å; W292-F306 AromaticContact CE3-CZ 3.88Å; W292-F306 HydrophobicContact CE3-CZ 3.88Å; W292-F306 HydrophobicContact CG-CZ 4.16Å; W292-F306 HydrophobicContact CH2-CE2 4.31Å; W292-F306 AromaticContact CZ3-CE2 3.8Å; W292-F306 HydrophobicContact CZ3-CE2 3.8Å |
| 293 | Y | 86.1 | Confident | 79.9 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -41.8 | 176.4 | 174.4 | -99.8 | 0 | 0 | 0 | 113.3 | V289 V290 K295 N296 P297 L303 T326 F327 H330 | V289-Y293 PolarHBondContact O-N 2.82Å; V290-Y293 PolarHBondContact O-N 3.02Å; Y293-K295 PolarHBondContact O-N 2.86Å; Y293-N296 CarbonylContact O-C 3.52Å; Y293-N296 PolarHBondContact O-N 3.42Å; Y293-P297 WeakPolarHBondContact O-CA 3.34Å; Y293-P297 WeakPolarHBondContact O-CD 3.28Å; Y293-P297 VanDerWaalsContact O-N 3.11Å; Y293-L303 HydrophobicContact CD2-CD1 4.48Å; Y293-L303 HydrophobicContact CD2-CD2 3.91Å; Y293-L303 HydrophobicContact CE2-CD2 3.86Å; Y293-T326 PolarHBondContact OH-O 2.85Å; Y293-T326 VanDerWaalsContact OH-O 3.09Å; Y293-F327 HydrophobicContact CD1-CB 3.73Å; Y293-F327 AromaticContact CD1-CD2 3.64Å; Y293-F327 HydrophobicContact CD1-CD2 3.64Å; Y293-F327 HydrophobicContact CD1-CG 4.16Å; Y293-F327 HydrophobicContact CD2-CD2 4.33Å; Y293-F327 HydrophobicContact CE1-CB 3.73Å; Y293-F327 HydrophobicContact CE1-CD2 4.19Å; Y293-F327 HydrophobicContact CE1-CG 4.48Å; Y293-F327 AromaticContact CG-CD2 3.69Å; Y293-F327 HydrophobicContact CG-CD2 3.69Å; Y293-F327 HydrophobicContact CG-CE2 4.45Å; Y293-H330 AromaticContact CE2-ND1 3.61Å; Y293-H330 AromaticContact CZ-ND1 3.65Å; Y293-H330 PolarHBondContact OH-ND1 3.3Å |
| 294 | E | 82.6 | Confident | 79.1 | Confident | 113 Ų | 113 | 43.1 Ų | 43.1 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -29.3 | 176.1 | -74.2 | -168.9 | 128.2 | 0 | 0 | 112.6 | V290 Q324 | V290-E294 WeakPolarHBondContact O-CG 2.99Å; V290-E294 PolarHBondContact O-N 2.91Å; E294-Q324 HydrophobicContact CG-CG 4.17Å; E294-Q324 WeakPolarHBondContact OE1-CG 3.22Å; E294-Q324 PolarHBondContact OE1-NE2 3.41Å; E294-Q324 PolarHBondContact OE2-NE2 3.44Å; E294-Q324 VanDerWaalsContact OE2-NE2 3.14Å |
| 295 | K | 81.3 | Confident | 78.6 | Confident | 122 Ų | 122 | 45.9 Ų | 45.9 | 53% | 0.53 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -78.5 | -36.6 | 173.3 | -72 | 164.3 | -178 | 156.8 | 0 | 112.7 | S291 W292 Y293 P297 | S291-K295 WeakPolarHBondContact O-CB 3.13Å; S291-K295 WeakPolarHBondContact O-CD 3.35Å; S291-K295 VanDerWaalsContact O-CG 3.24Å; S291-K295 WeakPolarHBondContact O-CG 3.09Å; S291-K295 PolarHBondContact O-N 2.63Å; S291-K295 VanDerWaalsContact O-N 3.09Å; S291-K295 WeakPolarHBondContact OG-CE 2.87Å; S291-K295 PolarHBondContact OG-NZ 2.72Å; W292-K295 PolarHBondContact O-N 3.27Å; Y293-K295 PolarHBondContact O-N 2.86Å; K295-P297 WeakPolarHBondContact O-CD 3.25Å |
| 296 | N | 77.7 | Confident | 78.3 | Confident | 48 Ų | 48 | 46 Ų | 46 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | trans | -118.9 | 45.9 | -172.8 | -58.8 | -44.5 | 0 | 0 | 0 | 114.7 | W292 Y293 S298 E299 | W292-N296 HydrophobicContact CH2-CB 4Å; W292-N296 HydrophobicContact CZ2-CB 3.96Å; W292-N296 HydrophobicContact CZ3-CB 4.44Å; W292-N296 PolarHBondContact NE1-ND2 2.74Å; W292-N296 WeakPolarHBondContact O-CB 3.17Å; W292-N296 PolarHBondContact O-N 2.84Å; W292-N296 PolarHBondContact O-ND2 3.28Å; Y293-N296 CarbonylContact O-C 3.52Å; Y293-N296 PolarHBondContact O-N 3.42Å; N296-S298 PolarHBondContact O-N 2.97Å; N296-E299 HydrophobicContact CB-CB 4.35Å; N296-E299 HydrophobicContact CB-CG 4.46Å; N296-E299 PolarHBondContact O-N 3.44Å | ||
| 297 | P | 69.8 | Low | 77.9 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.1 | -170.3 | 28.9 | -37.1 | 0 | 0 | 0 | 114.5 | Y293 K295 R369 | Y293-P297 WeakPolarHBondContact O-CA 3.34Å; Y293-P297 WeakPolarHBondContact O-CD 3.28Å; Y293-P297 VanDerWaalsContact O-N 3.11Å; K295-P297 WeakPolarHBondContact O-CD 3.25Å; P297-R369 PolarHBondContact O-NH2 3.44Å |
| 298 | S | 66 | Low | 77.4 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 72% | 0.72 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -25.5 | 171.4 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | N296 S300 | N296-S298 PolarHBondContact O-N 2.97Å; S298-S300 PolarHBondContact O-N 2.81Å; S298-S300 VanDerWaalsContact O-N 3.13Å |
| 299 | E | 66.2 | Low | 77.4 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | trans | -87.3 | 40.1 | -178.4 | -61.5 | -162.2 | 117.3 | 0 | 0 | 112.3 | W292 N296 A301 K302 | W292-E299 HydrophobicContact CH2-CB 4.16Å; N296-E299 HydrophobicContact CB-CB 4.35Å; N296-E299 HydrophobicContact CB-CG 4.46Å; N296-E299 PolarHBondContact O-N 3.44Å; E299-A301 PolarHBondContact O-N 2.93Å; E299-K302 HydrophobicContact CB-CB 4.49Å; E299-K302 HydrophobicContact CB-CD 4.2Å; E299-K302 HydrophobicContact CB-CG 4.45Å; E299-K302 VanDerWaalsContact CD-CE 3.49Å; E299-K302 WeakPolarHBondContact O-CB 3.32Å; E299-K302 PolarHBondContact O-N 2.83Å; E299-K302 WeakPolarHBondContact OE1-CE 3.06Å; E299-K302 IonicContact OE1-NZ 3.29Å; E299-K302 PolarHBondContact OE1-NZ 3.04Å; E299-K302 WeakPolarHBondContact OE2-CD 3.42Å; E299-K302 VanDerWaalsContact OE2-CE 3.3Å; E299-K302 WeakPolarHBondContact OE2-CE 3.21Å; E299-K302 IonicContact OE2-NZ 2.96Å; E299-K302 PolarHBondContact OE2-NZ 3.43Å | ||
| 300 | S | 60.8 | Low | 77.3 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -23.7 | -177.4 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | S298 K302 L303 H330 R369 | S298-S300 PolarHBondContact O-N 2.81Å; S298-S300 VanDerWaalsContact O-N 3.13Å; S300-K302 VanDerWaalsContact C-N 3.3Å; S300-K302 PolarHBondContact O-N 2.95Å; S300-L303 VanDerWaalsContact O-CB 3.32Å; S300-L303 WeakPolarHBondContact O-CB 3.27Å; S300-L303 PolarHBondContact O-N 2.94Å; S300-L303 VanDerWaalsContact O-N 3.14Å; S300-H330 WeakPolarHBondContact CB-CE1 3.46Å; S300-R369 PolarHBondContact OG-NH1 3.49Å; S300-R369 PolarHBondContact OG-NH2 3.47Å |
| 301 | A | 60.7 | Low | 77.2 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 69% | 0.686 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.1 | -35.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E299 S304 | E299-A301 PolarHBondContact O-N 2.93Å; A301-S304 PolarHBondContact O-OG 3.04Å |
| 302 | K | 67.6 | Low | 77.2 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.7 | -27.1 | 173.9 | -72.5 | -178.6 | -177.5 | 174.3 | 0 | 112.5 | D258 W292 E299 S300 S304 R305 | D258-K302 IonicContact OD1-NZ 2.67Å; D258-K302 PolarHBondContact OD1-NZ 3.19Å; D258-K302 VanDerWaalsContact OD1-NZ 3.12Å; W292-K302 HydrophobicContact CH2-CB 3.63Å; W292-K302 HydrophobicContact CH2-CD 3.97Å; W292-K302 HydrophobicContact CH2-CG 4.49Å; W292-K302 HydrophobicContact CZ2-CB 4.07Å; W292-K302 HydrophobicContact CZ2-CD 3.61Å; E299-K302 HydrophobicContact CB-CB 4.49Å; E299-K302 HydrophobicContact CB-CD 4.2Å; E299-K302 HydrophobicContact CB-CG 4.45Å; E299-K302 VanDerWaalsContact CD-CE 3.49Å; E299-K302 WeakPolarHBondContact O-CB 3.32Å; E299-K302 PolarHBondContact O-N 2.83Å; E299-K302 WeakPolarHBondContact OE1-CE 3.06Å; E299-K302 IonicContact OE1-NZ 3.29Å; E299-K302 PolarHBondContact OE1-NZ 3.04Å; E299-K302 WeakPolarHBondContact OE2-CD 3.42Å; E299-K302 VanDerWaalsContact OE2-CE 3.3Å; E299-K302 WeakPolarHBondContact OE2-CE 3.21Å; E299-K302 IonicContact OE2-NZ 2.96Å; E299-K302 PolarHBondContact OE2-NZ 3.43Å; S300-K302 VanDerWaalsContact C-N 3.3Å; S300-K302 PolarHBondContact O-N 2.95Å; K302-S304 PolarHBondContact O-N 2.77Å; K302-S304 VanDerWaalsContact O-N 3.13Å; K302-R305 WeakPolarHBondContact O-CB 2.9Å; K302-R305 PolarHBondContact O-N 3.15Å |
| 303 | L | 74.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.8 | -31.7 | 177.1 | -177.9 | 59.6 | 0 | 0 | 0 | 111.6 | Y293 S300 R305 F306 F327 H330 L334 | Y293-L303 HydrophobicContact CD2-CD1 4.48Å; Y293-L303 HydrophobicContact CD2-CD2 3.91Å; Y293-L303 HydrophobicContact CE2-CD2 3.86Å; S300-L303 VanDerWaalsContact O-CB 3.32Å; S300-L303 WeakPolarHBondContact O-CB 3.27Å; S300-L303 PolarHBondContact O-N 2.94Å; S300-L303 VanDerWaalsContact O-N 3.14Å; L303-R305 VanDerWaalsContact C-N 3.26Å; L303-R305 PolarHBondContact O-N 3.12Å; L303-F306 HydrophobicContact CD1-CB 4.47Å; L303-F306 HydrophobicContact CD1-CD2 4.34Å; L303-F306 WeakPolarHBondContact O-CB 3.42Å; L303-F306 PolarHBondContact O-N 3.33Å; L303-F306 VanDerWaalsContact O-N 3.09Å; L303-F327 HydrophobicContact CD1-CE2 3.87Å; L303-H330 HydrophobicContact CD2-CB 4.47Å; L303-L334 HydrophobicContact CB-CD1 4.28Å; L303-L334 HydrophobicContact CD2-CD1 3.8Å; L303-L334 HydrophobicContact CG-CD1 4Å |
| 304 | S | 71.7 | Confident | 77.2 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.3 | -34 | 174.7 | 69 | 0 | 0 | 0 | 0 | 114.3 | A301 K302 F306 I307 | A301-S304 PolarHBondContact O-OG 3.04Å; K302-S304 PolarHBondContact O-N 2.77Å; K302-S304 VanDerWaalsContact O-N 3.13Å; S304-F306 VanDerWaalsContact C-N 3.3Å; S304-F306 PolarHBondContact O-N 3.19Å; S304-I307 VanDerWaalsContact O-CB 3.3Å; S304-I307 WeakPolarHBondContact O-CB 3.32Å; S304-I307 PolarHBondContact O-N 3.17Å |
| 305 | R | 76.6 | Confident | 77.4 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 177.6 | -60.6 | -175.5 | -174.7 | 171.2 | 2.2 | 112.2 | S259 L262 K302 L303 I307 E308 | S259-R305 PolarHBondContact O-NH1 3.32Å; L262-R305 HydrophobicContact CD1-CB 4.48Å; K302-R305 WeakPolarHBondContact O-CB 2.9Å; K302-R305 PolarHBondContact O-N 3.15Å; L303-R305 VanDerWaalsContact C-N 3.26Å; L303-R305 PolarHBondContact O-N 3.12Å; R305-I307 PolarHBondContact O-N 2.78Å; R305-E308 PolarHBondContact O-N 3.42Å |
| 306 | F | 86 | Confident | 77.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.6 | -18.4 | 176 | -62.1 | -89.8 | 0 | 0 | 0 | 112.1 | Y257 L262 V289 W292 L303 S304 M309 I310 | Y257-F306 AromaticContact CD1-CE1 3.7Å; Y257-F306 HydrophobicContact CD1-CE1 3.7Å; Y257-F306 HydrophobicContact CD1-CZ 4.34Å; Y257-F306 AromaticContact CD2-CE1 3.67Å; Y257-F306 HydrophobicContact CD2-CE1 3.67Å; Y257-F306 AromaticContact CD2-CZ 3.94Å; Y257-F306 HydrophobicContact CD2-CZ 3.94Å; Y257-F306 AromaticContact CE1-CE1 3.97Å; Y257-F306 HydrophobicContact CE1-CE1 3.97Å; Y257-F306 AromaticContact CE2-CE1 3.94Å; Y257-F306 HydrophobicContact CE2-CE1 3.94Å; Y257-F306 AromaticContact CG-CE1 3.55Å; Y257-F306 HydrophobicContact CG-CE1 3.55Å; Y257-F306 AromaticContact CG-CZ 3.8Å; Y257-F306 HydrophobicContact CG-CZ 3.8Å; L262-F306 HydrophobicContact CD1-CD1 4.43Å; V289-F306 HydrophobicContact CB-CD1 4.3Å; V289-F306 HydrophobicContact CB-CE1 4.44Å; V289-F306 HydrophobicContact CG1-CB 4.26Å; V289-F306 HydrophobicContact CG1-CD1 3.73Å; V289-F306 HydrophobicContact CG1-CE1 4.14Å; V289-F306 HydrophobicContact CG1-CG 3.98Å; V289-F306 HydrophobicContact CG2-CD1 3.66Å; V289-F306 HydrophobicContact CG2-CE1 3.85Å; W292-F306 AromaticContact CD2-CE2 3.9Å; W292-F306 HydrophobicContact CD2-CE2 3.9Å; W292-F306 AromaticContact CD2-CZ 3.8Å; W292-F306 HydrophobicContact CD2-CZ 3.8Å; W292-F306 HydrophobicContact CE3-CD2 4.49Å; W292-F306 AromaticContact CE3-CE2 3.57Å; W292-F306 HydrophobicContact CE3-CE2 3.57Å; W292-F306 AromaticContact CE3-CZ 3.88Å; W292-F306 HydrophobicContact CE3-CZ 3.88Å; W292-F306 HydrophobicContact CG-CZ 4.16Å; W292-F306 HydrophobicContact CH2-CE2 4.31Å; W292-F306 AromaticContact CZ3-CE2 3.8Å; W292-F306 HydrophobicContact CZ3-CE2 3.8Å; L303-F306 HydrophobicContact CD1-CB 4.47Å; L303-F306 HydrophobicContact CD1-CD2 4.34Å; L303-F306 WeakPolarHBondContact O-CB 3.42Å; L303-F306 PolarHBondContact O-N 3.33Å; L303-F306 VanDerWaalsContact O-N 3.09Å; S304-F306 VanDerWaalsContact C-N 3.3Å; S304-F306 PolarHBondContact O-N 3.19Å; F306-M309 HydrophobicContact CD1-CE 4.22Å; F306-M309 WeakPolarHBondContact O-CB 3.27Å; F306-M309 PolarHBondContact O-N 3.01Å; F306-I310 HydrophobicContact CB-CD1 4.31Å; F306-I310 WeakPolarHBondContact O-CB 3.17Å; F306-I310 WeakPolarHBondContact O-CD1 3.43Å; F306-I310 WeakPolarHBondContact O-CG1 3.48Å; F306-I310 PolarHBondContact O-N 3.16Å |
| 307 | I | 82.1 | Confident | 78.1 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 176.1 | -58.1 | 176.6 | 0 | 0 | 0 | 110.3 | S304 R305 M309 I310 M311 L331 L334 T335 | S304-I307 VanDerWaalsContact O-CB 3.3Å; S304-I307 WeakPolarHBondContact O-CB 3.32Å; S304-I307 PolarHBondContact O-N 3.17Å; R305-I307 PolarHBondContact O-N 2.78Å; I307-M309 VanDerWaalsContact C-N 3.28Å; I307-M309 PolarHBondContact O-N 3.39Å; I307-I310 PolarHBondContact O-N 2.91Å; I307-M311 HydrophobicContact CG2-CG 3.89Å; I307-M311 VanDerWaalsContact O-CB 3.3Å; I307-M311 WeakPolarHBondContact O-CB 3.31Å; I307-M311 WeakPolarHBondContact O-CG 3.31Å; I307-M311 PolarHBondContact O-N 3.33Å; I307-L331 HydrophobicContact CD1-CD1 4.45Å; I307-L331 HydrophobicContact CG1-CD1 3.98Å; I307-L334 HydrophobicContact CD1-CB 3.4Å; I307-L334 HydrophobicContact CD1-CD1 4.11Å; I307-L334 HydrophobicContact CD1-CG 4.37Å; I307-T335 HydrophobicContact CD1-CG2 4.16Å; I307-T335 HydrophobicContact CG1-CG2 4.33Å; I307-T335 HydrophobicContact CG2-CG2 3.74Å |
| 308 | E | 79.8 | Confident | 78.8 | Confident | 143 Ų | 143 | 54.7 Ų | 54.7 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58 | -43.4 | 172.6 | -62.9 | -177.4 | 172.3 | 0 | 0 | 110.9 | R305 H312 | R305-E308 PolarHBondContact O-N 3.42Å; E308-H312 WeakPolarHBondContact O-CB 3.45Å; E308-H312 PolarHBondContact O-N 3.45Å |
| 309 | M | 86.8 | Confident | 80 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -53.6 | 174 | -170.6 | -175.2 | 79.3 | 0 | 0 | 112.1 | L262 L264 F267 V289 F306 I307 M311 H312 L313 | L262-M309 HydrophobicContact CD1-CB 4.16Å; L264-M309 HydrophobicContact CD2-CB 3.72Å; L264-M309 HydrophobicContact CD2-CG 3.89Å; F267-M309 HydrophobicContact CB-CG 4.37Å; F267-M309 HydrophobicContact CB-SD 4.26Å; F267-M309 HydrophobicContact CD1-SD 4.35Å; F267-M309 HydrophobicContact CD2-CG 3.96Å; F267-M309 HydrophobicContact CD2-SD 3.42Å; F267-M309 WeakPolarHBondContact CD2-SD 3.08Å; F267-M309 HydrophobicContact CE2-SD 3.73Å; F267-M309 HydrophobicContact CG-CG 4.39Å; F267-M309 HydrophobicContact CG-SD 3.77Å; F267-M309 HydrophobicContact CZ-SD 4.33Å; V289-M309 HydrophobicContact CG2-CE 3.69Å; F306-M309 HydrophobicContact CD1-CE 4.22Å; F306-M309 WeakPolarHBondContact O-CB 3.27Å; F306-M309 PolarHBondContact O-N 3.01Å; I307-M309 VanDerWaalsContact C-N 3.28Å; I307-M309 PolarHBondContact O-N 3.39Å; M309-M311 VanDerWaalsContact C-N 3.27Å; M309-M311 PolarHBondContact O-N 2.91Å; M309-H312 PolarHBondContact O-N 2.81Å; M309-H312 VanDerWaalsContact O-N 3.14Å; M309-L313 HydrophobicContact CG-CD1 3.85Å; M309-L313 HydrophobicContact CG-CG 4.21Å; M309-L313 WeakPolarHBondContact O-CB 3.32Å; M309-L313 VanDerWaalsContact O-CG 3.23Å; M309-L313 WeakPolarHBondContact O-CG 3.37Å; M309-L313 PolarHBondContact O-N 3.48Å |
| 310 | I | 88.2 | Confident | 81 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | -177.1 | -68.9 | 165.1 | 0 | 0 | 0 | 111.3 | F306 I307 Q314 A315 L316 F319 L331 | F306-I310 HydrophobicContact CB-CD1 4.31Å; F306-I310 WeakPolarHBondContact O-CB 3.17Å; F306-I310 WeakPolarHBondContact O-CD1 3.43Å; F306-I310 WeakPolarHBondContact O-CG1 3.48Å; F306-I310 PolarHBondContact O-N 3.16Å; I307-I310 PolarHBondContact O-N 2.91Å; I310-Q314 PolarHBondContact O-N 2.95Å; I310-A315 HydrophobicContact CG2-CB 4.44Å; I310-A315 PolarHBondContact O-N 3.23Å; I310-L316 HydrophobicContact CG2-CB 4.1Å; I310-L316 HydrophobicContact CG2-CD1 4.1Å; I310-F319 HydrophobicContact CB-CD2 4.41Å; I310-F319 HydrophobicContact CD1-CB 4.48Å; I310-F319 HydrophobicContact CD1-CD1 3.99Å; I310-F319 HydrophobicContact CD1-CD2 4.2Å; I310-F319 HydrophobicContact CD1-CE1 4.24Å; I310-F319 HydrophobicContact CD1-CE2 4.46Å; I310-F319 HydrophobicContact CD1-CG 3.96Å; I310-F319 HydrophobicContact CD1-CZ 4.47Å; I310-F319 HydrophobicContact CG1-CD1 4.31Å; I310-F319 HydrophobicContact CG1-CD2 3.76Å; I310-F319 HydrophobicContact CG1-CE1 4.28Å; I310-F319 HydrophobicContact CG1-CE2 3.74Å; I310-F319 HydrophobicContact CG1-CG 4.06Å; I310-F319 HydrophobicContact CG1-CZ 4Å; I310-F319 HydrophobicContact CG2-CD2 3.93Å; I310-F319 HydrophobicContact CG2-CG 4.38Å; I310-L331 HydrophobicContact CD1-CD1 4.01Å; I310-L331 HydrophobicContact CD1-CD2 3.98Å |
| 311 | M | 84.8 | Confident | 82.2 | Confident | 76 Ų | 76 | 47.4 Ų | 47.4 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.4 | -40 | 176.1 | -64.3 | -62.1 | -69 | 0 | 0 | 112.1 | I307 M309 L313 Q314 L316 | I307-M311 HydrophobicContact CG2-CG 3.89Å; I307-M311 VanDerWaalsContact O-CB 3.3Å; I307-M311 WeakPolarHBondContact O-CB 3.31Å; I307-M311 WeakPolarHBondContact O-CG 3.31Å; I307-M311 PolarHBondContact O-N 3.33Å; M309-M311 VanDerWaalsContact C-N 3.27Å; M309-M311 PolarHBondContact O-N 2.91Å; M311-L313 VanDerWaalsContact C-N 3.34Å; M311-L313 PolarHBondContact O-N 2.68Å; M311-Q314 PolarHBondContact O-N 3.28Å; M311-L316 HydrophobicContact SD-CD2 4.25Å |
| 312 | H | 85 | Confident | 83.4 | Confident | 105 Ų | 105 | 44 Ų | 44 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.9 | -34.4 | 176.8 | -173.9 | 71.8 | 0 | 0 | 0 | 112.8 | L264 E308 M309 Q314 | L264-H312 HydrophobicContact CD1-CB 4.31Å; E308-H312 WeakPolarHBondContact O-CB 3.45Å; E308-H312 PolarHBondContact O-N 3.45Å; M309-H312 PolarHBondContact O-N 2.81Å; M309-H312 VanDerWaalsContact O-N 3.14Å; H312-Q314 PolarHBondContact O-N 2.81Å |
| 313 | L | 87.2 | Confident | 84 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.1 | 172.5 | -59.8 | -177.5 | 0 | 0 | 0 | 113.5 | F267 A268 W271 M309 M311 A315 | F267-L313 HydrophobicContact CB-CD1 4.28Å; F267-L313 HydrophobicContact CB-CD2 4.13Å; A268-L313 VanDerWaalsContact CA-CD2 3.45Å; A268-L313 HydrophobicContact CB-CD2 4.06Å; W271-L313 HydrophobicContact CB-CD1 4.3Å; W271-L313 HydrophobicContact CB-CD2 3.83Å; W271-L313 HydrophobicContact CB-CG 4.48Å; W271-L313 HydrophobicContact CD2-CB 4.22Å; W271-L313 HydrophobicContact CD2-CD1 4.04Å; W271-L313 HydrophobicContact CE3-CD1 3.97Å; W271-L313 HydrophobicContact CG-CB 4.1Å; W271-L313 HydrophobicContact CG-CD1 4.19Å; W271-L313 HydrophobicContact CG-CD2 4.15Å; W271-L313 HydrophobicContact CG-CG 4.36Å; W271-L313 PolarHBondContact NE1-O 3.39Å; W271-L313 VanDerWaalsContact NE1-O 3.13Å; M309-L313 HydrophobicContact CG-CD1 3.85Å; M309-L313 HydrophobicContact CG-CG 4.21Å; M309-L313 WeakPolarHBondContact O-CB 3.32Å; M309-L313 VanDerWaalsContact O-CG 3.23Å; M309-L313 WeakPolarHBondContact O-CG 3.37Å; M309-L313 PolarHBondContact O-N 3.48Å; M311-L313 VanDerWaalsContact C-N 3.34Å; M311-L313 PolarHBondContact O-N 2.68Å; L313-A315 HydrophobicContact CB-CB 3.76Å; L313-A315 PolarHBondContact O-N 3.37Å |
| 314 | Q | 86.4 | Confident | 84.6 | Confident | 185 Ų | 185 | 49 Ų | 49 | 86% | 0.864 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 28.8 | -169.8 | -60.4 | -174.4 | -42.4 | 0 | 0 | 113.2 | I310 M311 H312 | I310-Q314 PolarHBondContact O-N 2.95Å; M311-Q314 PolarHBondContact O-N 3.28Å; H312-Q314 PolarHBondContact O-N 2.81Å |
| 315 | A | 86.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | trans | -90.7 | -2.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | W271 I310 L313 Q317 A318 F319 | W271-A315 HydrophobicContact CD2-CB 4.47Å; W271-A315 HydrophobicContact CH2-CB 3.65Å; W271-A315 HydrophobicContact CZ2-CB 3.26Å; W271-A315 HydrophobicContact CZ3-CB 4.37Å; I310-A315 HydrophobicContact CG2-CB 4.44Å; I310-A315 PolarHBondContact O-N 3.23Å; L313-A315 HydrophobicContact CB-CB 3.76Å; L313-A315 PolarHBondContact O-N 3.37Å; A315-Q317 VanDerWaalsContact C-N 3.34Å; A315-Q317 PolarHBondContact O-N 3.12Å; A315-Q317 VanDerWaalsContact O-N 3.15Å; A315-A318 WeakPolarHBondContact O-CA 3.08Å; A315-A318 WeakPolarHBondContact O-CB 3.36Å; A315-A318 PolarHBondContact O-N 3.39Å; A315-F319 HydrophobicContact CB-CD2 3.75Å; A315-F319 HydrophobicContact CB-CE2 3.67Å; A315-F319 WeakPolarHBondContact O-CD2 3.44Å; A315-F319 PolarHBondContact O-N 3.02Å | ||
| 316 | L | 87.6 | Confident | 85.7 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -47.5 | -51.5 | -167.2 | -177.4 | 58.4 | 0 | 0 | 0 | 113 | I310 M311 A318 F319 L320 L331 T335 | I310-L316 HydrophobicContact CG2-CB 4.1Å; I310-L316 HydrophobicContact CG2-CD1 4.1Å; M311-L316 HydrophobicContact SD-CD2 4.25Å; L316-A318 VanDerWaalsContact C-N 3.28Å; L316-A318 PolarHBondContact O-N 2.67Å; L316-F319 CarbonylContact O-C 3.18Å; L316-F319 WeakPolarHBondContact O-CA 3.26Å; L316-F319 PolarHBondContact O-N 3.28Å; L316-L320 HydrophobicContact CD1-CD1 4.36Å; L316-L320 HydrophobicContact CD1-CD2 4.08Å; L316-L320 HydrophobicContact CD1-CG 4.06Å; L316-L320 HydrophobicContact CG-CD1 4.18Å; L316-L320 HydrophobicContact CG-CG 4.19Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.13Å; L316-L331 HydrophobicContact CD1-CD2 4.03Å; L316-L331 HydrophobicContact CD1-CG 4.04Å; L316-T335 HydrophobicContact CD1-CG2 4.09Å |
| 317 | Q | 86 | Confident | 85.8 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 42% | 0.416 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.4 | -33.8 | -179.6 | -170.9 | 71.5 | -25.6 | 0 | 0 | 113.3 | A315 L320 N321 D1074 | A315-Q317 VanDerWaalsContact C-N 3.34Å; A315-Q317 PolarHBondContact O-N 3.12Å; A315-Q317 VanDerWaalsContact O-N 3.15Å; Q317-L320 PolarHBondContact O-N 3.19Å; Q317-N321 PolarHBondContact O-N 3.1Å; Q317-N321 PolarHBondContact O-ND2 2.88Å; Q317-D1074 PolarHBondContact NE2-OD2 2.92Å |
| 318 | A | 85.3 | Confident | 86.1 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.6 | -36.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | W271 A315 L316 | W271-A318 HydrophobicContact CH2-CB 4.11Å; W271-A318 HydrophobicContact CZ2-CB 4.23Å; A315-A318 WeakPolarHBondContact O-CA 3.08Å; A315-A318 WeakPolarHBondContact O-CB 3.36Å; A315-A318 PolarHBondContact O-N 3.39Å; L316-A318 VanDerWaalsContact C-N 3.28Å; L316-A318 PolarHBondContact O-N 2.67Å |
| 319 | F | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.3 | -24.3 | 173.7 | -76.6 | -88.9 | 0 | 0 | 0 | 113.2 | W271 V286 V289 I310 A315 L316 V322 F327 L331 | W271-F319 HydrophobicContact CH2-CE2 4.05Å; W271-F319 HydrophobicContact CZ3-CE2 4.17Å; V286-F319 HydrophobicContact CB-CE1 4.2Å; V286-F319 HydrophobicContact CB-CZ 4.35Å; V286-F319 HydrophobicContact CG1-CD1 4.28Å; V286-F319 HydrophobicContact CG1-CE1 4.31Å; V286-F319 HydrophobicContact CG2-CD1 4.35Å; V286-F319 HydrophobicContact CG2-CD2 4.25Å; V286-F319 HydrophobicContact CG2-CE1 4.03Å; V286-F319 HydrophobicContact CG2-CE2 3.9Å; V286-F319 HydrophobicContact CG2-CG 4.47Å; V286-F319 HydrophobicContact CG2-CZ 3.79Å; V289-F319 HydrophobicContact CB-CE1 3.96Å; V289-F319 HydrophobicContact CG1-CE1 4.21Å; V289-F319 HydrophobicContact CG2-CE1 4.18Å; V289-F319 HydrophobicContact CG2-CZ 4.46Å; I310-F319 HydrophobicContact CB-CD2 4.41Å; I310-F319 HydrophobicContact CD1-CB 4.48Å; I310-F319 HydrophobicContact CD1-CD1 3.99Å; I310-F319 HydrophobicContact CD1-CD2 4.2Å; I310-F319 HydrophobicContact CD1-CE1 4.24Å; I310-F319 HydrophobicContact CD1-CE2 4.46Å; I310-F319 HydrophobicContact CD1-CG 3.96Å; I310-F319 HydrophobicContact CD1-CZ 4.47Å; I310-F319 HydrophobicContact CG1-CD1 4.31Å; I310-F319 HydrophobicContact CG1-CD2 3.76Å; I310-F319 HydrophobicContact CG1-CE1 4.28Å; I310-F319 HydrophobicContact CG1-CE2 3.74Å; I310-F319 HydrophobicContact CG1-CG 4.06Å; I310-F319 HydrophobicContact CG1-CZ 4Å; I310-F319 HydrophobicContact CG2-CD2 3.93Å; I310-F319 HydrophobicContact CG2-CG 4.38Å; A315-F319 HydrophobicContact CB-CD2 3.75Å; A315-F319 HydrophobicContact CB-CE2 3.67Å; A315-F319 WeakPolarHBondContact O-CD2 3.44Å; A315-F319 PolarHBondContact O-N 3.02Å; L316-F319 CarbonylContact O-C 3.18Å; L316-F319 WeakPolarHBondContact O-CA 3.26Å; L316-F319 PolarHBondContact O-N 3.28Å; F319-V322 WeakPolarHBondContact O-CG2 3.36Å; F319-F327 HydrophobicContact CB-CE1 4.18Å; F319-F327 AromaticContact CD1-CE1 3.93Å; F319-F327 HydrophobicContact CD1-CE1 3.93Å; F319-F327 AromaticContact CD1-CZ 3.85Å; F319-F327 HydrophobicContact CD1-CZ 3.85Å; F319-L331 HydrophobicContact CB-CD2 3.55Å; F319-L331 HydrophobicContact CG-CD2 4.45Å |
| 320 | L | 87.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.5 | -19.1 | 175.8 | -64 | -164.5 | 0 | 0 | 0 | 114.5 | L316 Q317 L331 V332 M341 | L316-L320 HydrophobicContact CD1-CD1 4.36Å; L316-L320 HydrophobicContact CD1-CD2 4.08Å; L316-L320 HydrophobicContact CD1-CG 4.06Å; L316-L320 HydrophobicContact CG-CD1 4.18Å; L316-L320 HydrophobicContact CG-CG 4.19Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.13Å; Q317-L320 PolarHBondContact O-N 3.19Å; L320-L331 HydrophobicContact CD2-CB 4.28Å; L320-L331 HydrophobicContact CD2-CD2 3.96Å; L320-L331 HydrophobicContact CD2-CG 4.09Å; L320-V332 HydrophobicContact CD1-CG2 3.69Å; L320-V332 HydrophobicContact CD2-CG2 3.38Å; L320-V332 HydrophobicContact CG-CG2 4.16Å; L320-M341 HydrophobicContact CD1-CE 3.88Å; L320-M341 HydrophobicContact CD1-SD 3.72Å |
| 321 | N | 85.7 | Confident | 86.5 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 6.6 | 177 | -71.9 | -29.5 | 0 | 0 | 0 | 113.9 | Q317 K350 | Q317-N321 PolarHBondContact O-N 3.1Å; Q317-N321 PolarHBondContact O-ND2 2.88Å; N321-K350 PolarHBondContact OD1-NZ 2.95Å |
| 322 | V | 85.8 | Confident | 86.6 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -66.8 | 136.8 | 174.8 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | V286 V290 F319 Q324 | V286-V322 HydrophobicContact CG1-CG2 3.41Å; V286-V322 VanDerWaalsContact CG1-CG2 3.41Å; V290-V322 HydrophobicContact CB-CG1 4.48Å; V290-V322 HydrophobicContact CG1-CG1 3.98Å; V290-V322 HydrophobicContact CG2-CG1 3.75Å; V290-V322 HydrophobicContact CG2-CG2 4.19Å; F319-V322 WeakPolarHBondContact O-CG2 3.36Å; V322-Q324 HydrophobicContact CG1-CB 3.97Å; V322-Q324 VanDerWaalsContact CG1-OE1 3.3Å; V322-Q324 PolarHBondContact O-N 3.29Å |
| 323 | P | 81.2 | Confident | 86.3 | Confident | 102 Ų | 102 | 29.5 Ų | 29.5 | 66% | 0.662 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -66.6 | -17.2 | -178.3 | 25.4 | -33.8 | 0 | 0 | 0 | 114.5 | H325 | P323-H325 PolarHBondContact O-CE1 3.31Å; P323-H325 PolarHBondContact O-N 3.37Å; P323-H325 PolarHBondContact O-ND1 2.87Å; P323-H325 VanDerWaalsContact O-ND1 3.17Å |
| 324 | Q | 85.7 | Confident | 86 | Confident | 52 Ų | 52 | 31 Ų | 31 | 24% | 0.243 | 17% | 0.167 | C | C | . | . | trans | -67.2 | 76.4 | 167.5 | -78.4 | 79.3 | -7.6 | 0 | 0 | 111.6 | V290 E294 V322 T326 F327 A328 | V290-Q324 HydrophobicContact CG1-CB 3.94Å; V290-Q324 VanDerWaalsContact CG1-CD 3.47Å; V290-Q324 HydrophobicContact CG1-CG 3.61Å; E294-Q324 HydrophobicContact CG-CG 4.17Å; E294-Q324 WeakPolarHBondContact OE1-CG 3.22Å; E294-Q324 PolarHBondContact OE1-NE2 3.41Å; E294-Q324 PolarHBondContact OE2-NE2 3.44Å; E294-Q324 VanDerWaalsContact OE2-NE2 3.14Å; V322-Q324 HydrophobicContact CG1-CB 3.97Å; V322-Q324 VanDerWaalsContact CG1-OE1 3.3Å; V322-Q324 PolarHBondContact O-N 3.29Å; Q324-T326 PolarHBondContact O-N 3.05Å; Q324-T326 VanDerWaalsContact O-N 3.11Å; Q324-F327 HydrophobicContact CB-CB 4Å; Q324-F327 WeakPolarHBondContact O-CA 3.32Å; Q324-F327 WeakPolarHBondContact O-CB 3.44Å; Q324-F327 PolarHBondContact O-N 2.93Å; Q324-A328 PolarHBondContact O-N 2.88Å; Q324-A328 VanDerWaalsContact O-N 3.14Å | ||
| 325 | H | 86.2 | Confident | 85.7 | Confident | 28 Ų | 28 | 22.2 Ų | 22.2 | 13% | 0.13 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.3 | -37.2 | -177.9 | -55.9 | -26.9 | 0 | 0 | 0 | 113.7 | P323 F327 A328 I329 C354 F358 R361 | P323-H325 PolarHBondContact O-CE1 3.31Å; P323-H325 PolarHBondContact O-N 3.37Å; P323-H325 PolarHBondContact O-ND1 2.87Å; P323-H325 VanDerWaalsContact O-ND1 3.17Å; H325-F327 VanDerWaalsContact C-N 3.26Å; H325-F327 PolarHBondContact O-N 3.03Å; H325-A328 PolarHBondContact O-N 3.04Å; H325-I329 HydrophobicContact CB-CD1 4.47Å; H325-I329 WeakPolarHBondContact O-CB 3.27Å; H325-I329 WeakPolarHBondContact O-CD1 3.45Å; H325-I329 WeakPolarHBondContact O-CG1 3.15Å; H325-I329 PolarHBondContact O-N 3.27Å; H325-C354 PolarHBondContact CE1-SG 3.26Å; H325-F358 HydrophobicContact CB-CD2 3.79Å; H325-F358 HydrophobicContact CB-CE2 4.18Å; H325-F358 AromaticContact CG-CD2 3.65Å; H325-F358 AromaticContact ND1-CD2 3.92Å; H325-R361 HydrophobicContact CB-CB 4.23Å; H325-R361 HydrophobicContact CB-CG 4.12Å |
| 326 | T | 86 | Confident | 85.3 | Confident | 36 Ų | 36 | 23.7 Ų | 23.7 | 22% | 0.221 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.9 | -20.2 | 177.4 | -49.5 | 0 | 0 | 0 | 0 | 113.5 | Y293 Q324 R361 | Y293-T326 PolarHBondContact OH-O 2.85Å; Y293-T326 VanDerWaalsContact OH-O 3.09Å; Q324-T326 PolarHBondContact O-N 3.05Å; Q324-T326 VanDerWaalsContact O-N 3.11Å; T326-R361 PolarHBondContact OG1-NH1 2.86Å |
| 327 | F | 88.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -78.4 | -49.3 | 166.7 | 168.6 | -96 | 0 | 0 | 0 | 110.3 | V289 V290 Y293 L303 F319 Q324 H325 I329 H330 L331 | V289-F327 HydrophobicContact CG1-CE2 4.2Å; V289-F327 HydrophobicContact CG1-CZ 4.25Å; V290-F327 HydrophobicContact CG2-CD1 3.96Å; V290-F327 HydrophobicContact CG2-CE1 3.83Å; V290-F327 HydrophobicContact CG2-CE2 4.45Å; V290-F327 HydrophobicContact CG2-CG 4.34Å; V290-F327 HydrophobicContact CG2-CZ 4.09Å; Y293-F327 HydrophobicContact CD1-CB 3.73Å; Y293-F327 AromaticContact CD1-CD2 3.64Å; Y293-F327 HydrophobicContact CD1-CD2 3.64Å; Y293-F327 HydrophobicContact CD1-CG 4.16Å; Y293-F327 HydrophobicContact CD2-CD2 4.33Å; Y293-F327 HydrophobicContact CE1-CB 3.73Å; Y293-F327 HydrophobicContact CE1-CD2 4.19Å; Y293-F327 HydrophobicContact CE1-CG 4.48Å; Y293-F327 AromaticContact CG-CD2 3.69Å; Y293-F327 HydrophobicContact CG-CD2 3.69Å; Y293-F327 HydrophobicContact CG-CE2 4.45Å; L303-F327 HydrophobicContact CD1-CE2 3.87Å; F319-F327 HydrophobicContact CB-CE1 4.18Å; F319-F327 AromaticContact CD1-CE1 3.93Å; F319-F327 HydrophobicContact CD1-CE1 3.93Å; F319-F327 AromaticContact CD1-CZ 3.85Å; F319-F327 HydrophobicContact CD1-CZ 3.85Å; Q324-F327 HydrophobicContact CB-CB 4Å; Q324-F327 WeakPolarHBondContact O-CA 3.32Å; Q324-F327 WeakPolarHBondContact O-CB 3.44Å; Q324-F327 PolarHBondContact O-N 2.93Å; H325-F327 VanDerWaalsContact C-N 3.26Å; H325-F327 PolarHBondContact O-N 3.03Å; F327-I329 PolarHBondContact O-N 3.33Å; F327-H330 PolarHBondContact O-N 3.01Å; F327-H330 VanDerWaalsContact O-N 3.11Å; F327-L331 HydrophobicContact CE1-CD2 3.93Å; F327-L331 HydrophobicContact CZ-CD2 4.01Å; F327-L331 PolarHBondContact O-N 2.79Å |
| 328 | A | 88.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q324 H325 H330 L331 V332 W346 | Q324-A328 PolarHBondContact O-N 2.88Å; Q324-A328 VanDerWaalsContact O-N 3.14Å; H325-A328 PolarHBondContact O-N 3.04Å; A328-H330 VanDerWaalsContact C-N 3.29Å; A328-H330 PolarHBondContact O-N 2.79Å; A328-L331 PolarHBondContact O-N 2.77Å; A328-V332 WeakPolarHBondContact O-CB 3.48Å; A328-V332 VanDerWaalsContact O-CG2 3.3Å; A328-V332 WeakPolarHBondContact O-CG2 3.44Å; A328-V332 PolarHBondContact O-N 3.49Å; A328-W346 HydrophobicContact CB-CH2 4.36Å; A328-W346 HydrophobicContact CB-CZ2 4.28Å |
| 329 | I | 88 | Confident | 82.8 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.2 | -40.7 | 176.1 | -65.4 | 158.2 | 0 | 0 | 0 | 111.1 | H325 F327 V332 C333 W346 F358 R361 C362 F365 | H325-I329 HydrophobicContact CB-CD1 4.47Å; H325-I329 WeakPolarHBondContact O-CB 3.27Å; H325-I329 WeakPolarHBondContact O-CD1 3.45Å; H325-I329 WeakPolarHBondContact O-CG1 3.15Å; H325-I329 PolarHBondContact O-N 3.27Å; F327-I329 PolarHBondContact O-N 3.33Å; I329-V332 PolarHBondContact O-N 2.98Å; I329-C333 PolarHBondContact O-N 2.97Å; I329-C333 PolarHBondContact O-SG 3.23Å; I329-W346 HydrophobicContact CG1-CH2 4.38Å; I329-F358 HydrophobicContact CD1-CE2 4.23Å; I329-F358 HydrophobicContact CD1-CZ 4.32Å; I329-F358 HydrophobicContact CG1-CE2 4.02Å; I329-F358 HydrophobicContact CG1-CZ 3.91Å; I329-R361 HydrophobicContact CD1-CB 3.95Å; I329-C362 HydrophobicContact CD1-CB 4.43Å; I329-C362 VanDerWaalsContact CD1-SG 3.52Å; I329-F365 HydrophobicContact CG2-CB 4.14Å; I329-F365 HydrophobicContact CG2-CD1 3.62Å; I329-F365 HydrophobicContact CG2-CD2 4.12Å; I329-F365 HydrophobicContact CG2-CE1 4.03Å; I329-F365 HydrophobicContact CG2-CE2 4.47Å; I329-F365 HydrophobicContact CG2-CG 3.68Å; I329-F365 HydrophobicContact CG2-CZ 4.44Å |
| 330 | H | 85.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.6 | -42 | 179.3 | -155.5 | 157 | 0 | 0 | 0 | 112 | Y293 S300 L303 F327 A328 V332 C333 L334 F365 | Y293-H330 AromaticContact CE2-ND1 3.61Å; Y293-H330 AromaticContact CZ-ND1 3.65Å; Y293-H330 PolarHBondContact OH-ND1 3.3Å; S300-H330 WeakPolarHBondContact CB-CE1 3.46Å; L303-H330 HydrophobicContact CD2-CB 4.47Å; F327-H330 PolarHBondContact O-N 3.01Å; F327-H330 VanDerWaalsContact O-N 3.11Å; A328-H330 VanDerWaalsContact C-N 3.29Å; A328-H330 PolarHBondContact O-N 2.79Å; H330-V332 VanDerWaalsContact C-N 3.29Å; H330-V332 PolarHBondContact O-N 3.06Å; H330-C333 WeakPolarHBondContact O-CB 3.35Å; H330-C333 PolarHBondContact O-N 2.86Å; H330-L334 WeakPolarHBondContact O-CG 3.44Å; H330-L334 PolarHBondContact O-N 3.04Å; H330-F365 HydrophobicContact CB-CE2 3.82Å; H330-F365 HydrophobicContact CB-CZ 4.34Å; H330-F365 AromaticContact CG-CE2 3.75Å; H330-F365 AromaticContact ND1-CE2 3.94Å |
| 331 | L | 87.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 175.2 | -177.5 | 57.9 | 0 | 0 | 0 | 110.6 | I307 I310 L316 F319 L320 F327 A328 L334 T335 | I307-L331 HydrophobicContact CD1-CD1 4.45Å; I307-L331 HydrophobicContact CG1-CD1 3.98Å; I310-L331 HydrophobicContact CD1-CD1 4.01Å; I310-L331 HydrophobicContact CD1-CD2 3.98Å; L316-L331 HydrophobicContact CD1-CD2 4.03Å; L316-L331 HydrophobicContact CD1-CG 4.04Å; F319-L331 HydrophobicContact CB-CD2 3.55Å; F319-L331 HydrophobicContact CG-CD2 4.45Å; L320-L331 HydrophobicContact CD2-CB 4.28Å; L320-L331 HydrophobicContact CD2-CD2 3.96Å; L320-L331 HydrophobicContact CD2-CG 4.09Å; F327-L331 HydrophobicContact CE1-CD2 3.93Å; F327-L331 HydrophobicContact CZ-CD2 4.01Å; F327-L331 PolarHBondContact O-N 2.79Å; A328-L331 PolarHBondContact O-N 2.77Å; L331-L334 PolarHBondContact O-N 3.33Å; L331-T335 HydrophobicContact CD1-CG2 3.9Å; L331-T335 HydrophobicContact CG-CG2 4.44Å; L331-T335 WeakPolarHBondContact O-CB 3.5Å; L331-T335 WeakPolarHBondContact O-CG2 3.18Å; L331-T335 PolarHBondContact O-N 3.01Å; L331-T335 PolarHBondContact O-OG1 3.5Å |
| 332 | V | 87.1 | Confident | 81 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | L320 A328 I329 H330 L334 T335 F336 M341 V343 W346 M390 | L320-V332 HydrophobicContact CD1-CG2 3.69Å; L320-V332 HydrophobicContact CD2-CG2 3.38Å; L320-V332 HydrophobicContact CG-CG2 4.16Å; A328-V332 WeakPolarHBondContact O-CB 3.48Å; A328-V332 VanDerWaalsContact O-CG2 3.3Å; A328-V332 WeakPolarHBondContact O-CG2 3.44Å; A328-V332 PolarHBondContact O-N 3.49Å; I329-V332 PolarHBondContact O-N 2.98Å; H330-V332 VanDerWaalsContact C-N 3.29Å; H330-V332 PolarHBondContact O-N 3.06Å; V332-L334 VanDerWaalsContact C-N 3.34Å; V332-L334 PolarHBondContact O-N 3.18Å; V332-T335 PolarHBondContact O-N 3.31Å; V332-F336 PolarHBondContact O-N 2.8Å; V332-M341 HydrophobicContact CB-CE 4.25Å; V332-M341 HydrophobicContact CG1-CE 3.58Å; V332-M341 HydrophobicContact CG2-CE 3.57Å; V332-V343 HydrophobicContact CG1-CG1 3.9Å; V332-V343 HydrophobicContact CG1-CG2 3.87Å; V332-W346 HydrophobicContact CB-CH2 4.06Å; V332-W346 HydrophobicContact CB-CZ3 4.03Å; V332-W346 HydrophobicContact CG1-CE3 3.92Å; V332-W346 HydrophobicContact CG1-CH2 4.32Å; V332-W346 HydrophobicContact CG1-CZ3 3.8Å; V332-W346 HydrophobicContact CG2-CD2 4.29Å; V332-W346 HydrophobicContact CG2-CE3 4.25Å; V332-W346 HydrophobicContact CG2-CH2 3.58Å; V332-W346 HydrophobicContact CG2-CZ2 3.63Å; V332-W346 HydrophobicContact CG2-CZ3 3.9Å; V332-M390 HydrophobicContact CB-CE 4.21Å; V332-M390 HydrophobicContact CG1-CE 3.32Å; V332-M390 WeakPolarHBondContact O-CE 3.18Å |
| 333 | C | 80.1 | Confident | 81 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.9 | -45.5 | 170.9 | -75.6 | 0 | 0 | 0 | 0 | 113.5 | I329 H330 F365 I386 M390 | I329-C333 PolarHBondContact O-N 2.97Å; I329-C333 PolarHBondContact O-SG 3.23Å; H330-C333 WeakPolarHBondContact O-CB 3.35Å; H330-C333 PolarHBondContact O-N 2.86Å; C333-F365 HydrophobicContact CB-CZ 4.29Å; C333-F365 WeakPolarHBondContact SG-CE1 3.28Å; C333-I386 HydrophobicContact CB-CG1 4.46Å; C333-M390 VanDerWaalsContact CA-CE 3.46Å; C333-M390 HydrophobicContact CB-CE 4.45Å |
| 334 | L | 79.5 | Confident | 81.3 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 20% | 0.204 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80 | -25.7 | -178.1 | -62 | 171.6 | 0 | 0 | 0 | 113.6 | L303 I307 H330 L331 V332 | L303-L334 HydrophobicContact CB-CD1 4.28Å; L303-L334 HydrophobicContact CD2-CD1 3.8Å; L303-L334 HydrophobicContact CG-CD1 4Å; I307-L334 HydrophobicContact CD1-CB 3.4Å; I307-L334 HydrophobicContact CD1-CD1 4.11Å; I307-L334 HydrophobicContact CD1-CG 4.37Å; H330-L334 WeakPolarHBondContact O-CG 3.44Å; H330-L334 PolarHBondContact O-N 3.04Å; L331-L334 PolarHBondContact O-N 3.33Å; V332-L334 VanDerWaalsContact C-N 3.34Å; V332-L334 PolarHBondContact O-N 3.18Å |
| 335 | T | 80.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -97.1 | 0.2 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | I307 L316 L331 V332 K337 T338 S339 | I307-T335 HydrophobicContact CD1-CG2 4.16Å; I307-T335 HydrophobicContact CG1-CG2 4.33Å; I307-T335 HydrophobicContact CG2-CG2 3.74Å; L316-T335 HydrophobicContact CD1-CG2 4.09Å; L331-T335 HydrophobicContact CD1-CG2 3.9Å; L331-T335 HydrophobicContact CG-CG2 4.44Å; L331-T335 WeakPolarHBondContact O-CB 3.5Å; L331-T335 WeakPolarHBondContact O-CG2 3.18Å; L331-T335 PolarHBondContact O-N 3.01Å; L331-T335 PolarHBondContact O-OG1 3.5Å; V332-T335 PolarHBondContact O-N 3.31Å; T335-K337 VanDerWaalsContact C-N 3.3Å; T335-K337 PolarHBondContact O-N 3.06Å; T335-T338 WeakPolarHBondContact CA-OG1 3.29Å; T335-T338 PolarHBondContact O-N 3.02Å; T335-T338 PolarHBondContact O-OG1 3.24Å; T335-T338 VanDerWaalsContact O-OG1 3.13Å; T335-S339 WeakPolarHBondContact O-CB 3.48Å; T335-S339 PolarHBondContact O-N 2.9Å; T335-S339 PolarHBondContact O-OG 2.91Å |
| 336 | F | 78.8 | Confident | 81.4 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -48.8 | -49.4 | -178.2 | -179 | -122.4 | 0 | 0 | 0 | 113 | V332 T338 V343 P387 E389 M390 | V332-F336 PolarHBondContact O-N 2.8Å; F336-T338 VanDerWaalsContact C-N 3.33Å; F336-T338 PolarHBondContact O-N 3.11Å; F336-V343 HydrophobicContact CD2-CG2 3.61Å; F336-V343 HydrophobicContact CE2-CG2 3.89Å; F336-P387 HydrophobicContact CD1-CB 4.33Å; F336-P387 HydrophobicContact CD1-CG 4.11Å; F336-E389 HydrophobicContact CE1-CB 3.75Å; F336-E389 HydrophobicContact CZ-CB 4.18Å; F336-M390 HydrophobicContact CB-CE 3.94Å; F336-M390 HydrophobicContact CB-SD 4.22Å; F336-M390 HydrophobicContact CD1-CB 3.99Å; F336-M390 HydrophobicContact CD2-CE 4.06Å; F336-M390 HydrophobicContact CD2-SD 3.6Å; F336-M390 VanDerWaalsContact CD2-SD 3.6Å; F336-M390 HydrophobicContact CE1-CB 4.21Å; F336-M390 HydrophobicContact CE2-SD 4Å; F336-M390 HydrophobicContact CG-CB 4.19Å; F336-M390 HydrophobicContact CG-CE 4.21Å; F336-M390 HydrophobicContact CG-CG 4.36Å; F336-M390 HydrophobicContact CG-SD 3.87Å |
| 337 | K | 69.6 | Low | 81.5 | Confident | 135 Ų | 135 | 38.7 Ų | 38.7 | 59% | 0.587 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -80.9 | -6.7 | -176.8 | -60.2 | -161.7 | 173.7 | -161.2 | 0 | 114.7 | T335 P387 E389 | T335-K337 VanDerWaalsContact C-N 3.3Å; T335-K337 PolarHBondContact O-N 3.06Å; K337-P387 HydrophobicContact CD-CG 4.43Å; K337-E389 WeakPolarHBondContact CE-OE2 3.21Å; K337-E389 IonicContact NZ-OE1 3.16Å; K337-E389 IonicContact NZ-OE2 2.74Å; K337-E389 PolarHBondContact NZ-OE2 3.16Å |
| 338 | T | 69.5 | Low | 81.5 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -114.1 | -19.8 | -179.3 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | T335 F336 | T335-T338 WeakPolarHBondContact CA-OG1 3.29Å; T335-T338 PolarHBondContact O-N 3.02Å; T335-T338 PolarHBondContact O-OG1 3.24Å; T335-T338 VanDerWaalsContact O-OG1 3.13Å; F336-T338 VanDerWaalsContact C-N 3.33Å; F336-T338 PolarHBondContact O-N 3.11Å |
| 339 | S | 66.4 | Low | 81.4 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -96.5 | -20.6 | -179.5 | 59.9 | 0 | 0 | 0 | 0 | 114.4 | T335 M341 | T335-S339 WeakPolarHBondContact O-CB 3.48Å; T335-S339 PolarHBondContact O-N 2.9Å; T335-S339 PolarHBondContact O-OG 2.91Å; S339-M341 PolarHBondContact O-N 2.87Å; S339-M341 VanDerWaalsContact O-N 3.07Å; S339-M341 PolarHBondContact OG-N 3.41Å |
| 340 | N | 68.4 | Low | 81.4 | Confident | 149 Ų | 149 | 44.7 Ų | 44.7 | 80% | 0.797 | 23% | 0.23 | S | C | * | . | trans | 51.5 | 22.7 | -169.3 | -76.9 | -16.3 | 0 | 0 | 0 | 114.1 | ||||
| 341 | M | 74.7 | Confident | 81.4 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 17% | 0.167 | 23% | 0.23 | C | C | . | . | trans | -70.5 | 134.8 | -176.3 | -169.2 | 175.4 | 69 | 0 | 0 | 111 | L320 V332 S339 V343 W346 | L320-M341 HydrophobicContact CD1-CE 3.88Å; L320-M341 HydrophobicContact CD1-SD 3.72Å; V332-M341 HydrophobicContact CB-CE 4.25Å; V332-M341 HydrophobicContact CG1-CE 3.58Å; V332-M341 HydrophobicContact CG2-CE 3.57Å; S339-M341 PolarHBondContact O-N 2.87Å; S339-M341 VanDerWaalsContact O-N 3.07Å; S339-M341 PolarHBondContact OG-N 3.41Å; M341-V343 HydrophobicContact CE-CG2 4.28Å; M341-V343 WeakPolarHBondContact O-CG2 3.07Å; M341-V343 PolarHBondContact O-N 2.59Å; M341-W346 HydrophobicContact CE-CB 3.79Å; M341-W346 HydrophobicContact CE-CD2 3.62Å; M341-W346 HydrophobicContact CE-CE3 4.17Å; M341-W346 HydrophobicContact CE-CG 3.41Å; M341-W346 VanDerWaalsContact CE-CG 3.41Å; M341-W346 HydrophobicContact CG-CB 4.41Å; M341-W346 HydrophobicContact SD-CB 4.08Å; M341-W346 VanDerWaalsContact SD-CD1 3.58Å; M341-W346 HydrophobicContact SD-CG 3.81Å | ||
| 342 | P | 83 | Confident | 81.3 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | trans | -72.1 | 93 | 172.2 | 29.2 | -33.7 | 0 | 0 | 0 | 109.6 | D344 K345 W346 | P342-D344 VanDerWaalsContact C-N 3.31Å; P342-D344 VanDerWaalsContact C-OD1 3.31Å; P342-D344 PolarHBondContact O-N 3.36Å; P342-K345 HydrophobicContact CB-CB 4.11Å; P342-K345 HydrophobicContact CG-CB 4.22Å; P342-K345 PolarHBondContact O-N 2.74Å; P342-W346 PolarHBondContact O-N 3.17Å | ||
| 343 | V | 85.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.5 | -30 | -170.8 | 179.5 | 0 | 0 | 0 | 0 | 112.6 | V332 F336 M341 W346 T347 M390 L394 | V332-V343 HydrophobicContact CG1-CG1 3.9Å; V332-V343 HydrophobicContact CG1-CG2 3.87Å; F336-V343 HydrophobicContact CD2-CG2 3.61Å; F336-V343 HydrophobicContact CE2-CG2 3.89Å; M341-V343 HydrophobicContact CE-CG2 4.28Å; M341-V343 WeakPolarHBondContact O-CG2 3.07Å; M341-V343 PolarHBondContact O-N 2.59Å; V343-W346 HydrophobicContact CG1-CE3 4.35Å; V343-W346 PolarHBondContact O-N 2.98Å; V343-T347 WeakPolarHBondContact O-CB 3.4Å; V343-T347 PolarHBondContact O-N 2.76Å; V343-T347 PolarHBondContact O-OG1 3.39Å; V343-M390 HydrophobicContact CB-CE 4.32Å; V343-M390 HydrophobicContact CB-SD 3.99Å; V343-M390 HydrophobicContact CG1-CE 3.82Å; V343-M390 HydrophobicContact CG1-SD 3.69Å; V343-M390 HydrophobicContact CG2-CE 3.7Å; V343-M390 HydrophobicContact CG2-SD 3.74Å; V343-L394 HydrophobicContact CG1-CD2 3.7Å; V343-L394 HydrophobicContact CG1-CG 3.96Å |
| 344 | D | 87.1 | Confident | 81.2 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.4 | -51 | 169.8 | 60.7 | -37.2 | 0 | 0 | 0 | 110.9 | P342 T347 H348 S393 A396 G397 | P342-D344 VanDerWaalsContact C-N 3.31Å; P342-D344 VanDerWaalsContact C-OD1 3.31Å; P342-D344 PolarHBondContact O-N 3.36Å; D344-T347 PolarHBondContact O-N 2.72Å; D344-H348 PolarHBondContact O-N 3.39Å; D344-S393 WeakPolarHBondContact CA-O 3.43Å; D344-A396 HydrophobicContact CB-CB 4.11Å; D344-G397 WeakPolarHBondContact O-CA 3.49Å |
| 345 | K | 85.7 | Confident | 81.2 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 54% | 0.543 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 175.6 | -172.6 | -172.5 | 172.7 | -168.4 | 0 | 111.9 | P342 T347 H348 D349 | P342-K345 HydrophobicContact CB-CB 4.11Å; P342-K345 HydrophobicContact CG-CB 4.22Å; P342-K345 PolarHBondContact O-N 2.74Å; K345-T347 VanDerWaalsContact C-N 3.27Å; K345-T347 PolarHBondContact O-N 2.81Å; K345-H348 WeakPolarHBondContact O-CB 3.32Å; K345-H348 PolarHBondContact O-N 3.23Å; K345-H348 VanDerWaalsContact O-N 3.11Å; K345-D349 WeakPolarHBondContact CE-OD2 3.02Å; K345-D349 PolarHBondContact O-N 2.86Å |
| 346 | W | 88.7 | Confident | 81.2 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 178.3 | 175.9 | 84.3 | 0 | 0 | 0 | 112 | A328 I329 V332 M341 P342 V343 K350 F358 | A328-W346 HydrophobicContact CB-CH2 4.36Å; A328-W346 HydrophobicContact CB-CZ2 4.28Å; I329-W346 HydrophobicContact CG1-CH2 4.38Å; V332-W346 HydrophobicContact CB-CH2 4.06Å; V332-W346 HydrophobicContact CB-CZ3 4.03Å; V332-W346 HydrophobicContact CG1-CE3 3.92Å; V332-W346 HydrophobicContact CG1-CH2 4.32Å; V332-W346 HydrophobicContact CG1-CZ3 3.8Å; V332-W346 HydrophobicContact CG2-CD2 4.29Å; V332-W346 HydrophobicContact CG2-CE3 4.25Å; V332-W346 HydrophobicContact CG2-CH2 3.58Å; V332-W346 HydrophobicContact CG2-CZ2 3.63Å; V332-W346 HydrophobicContact CG2-CZ3 3.9Å; M341-W346 HydrophobicContact CE-CB 3.79Å; M341-W346 HydrophobicContact CE-CD2 3.62Å; M341-W346 HydrophobicContact CE-CE3 4.17Å; M341-W346 HydrophobicContact CE-CG 3.41Å; M341-W346 VanDerWaalsContact CE-CG 3.41Å; M341-W346 HydrophobicContact CG-CB 4.41Å; M341-W346 HydrophobicContact SD-CB 4.08Å; M341-W346 VanDerWaalsContact SD-CD1 3.58Å; M341-W346 HydrophobicContact SD-CG 3.81Å; P342-W346 PolarHBondContact O-N 3.17Å; V343-W346 HydrophobicContact CG1-CE3 4.35Å; V343-W346 PolarHBondContact O-N 2.98Å; W346-K350 HydrophobicContact CD2-CG 4.28Å; W346-K350 HydrophobicContact CZ2-CG 4.11Å; W346-K350 VanDerWaalsContact O-CB 3.3Å; W346-K350 WeakPolarHBondContact O-CB 3.39Å; W346-K350 WeakPolarHBondContact O-CG 3.27Å; W346-K350 PolarHBondContact O-N 3.03Å; W346-F358 HydrophobicContact CE3-CZ 4.42Å; W346-F358 HydrophobicContact CH2-CE2 4.12Å; W346-F358 AromaticContact CH2-CZ 3.64Å; W346-F358 HydrophobicContact CH2-CZ 3.64Å; W346-F358 HydrophobicContact CZ2-CZ 4.33Å; W346-F358 AromaticContact CZ3-CZ 3.7Å; W346-F358 HydrophobicContact CZ3-CZ 3.7Å |
| 347 | T | 88.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111 | V343 D344 K345 K350 V351 F358 L398 | V343-T347 WeakPolarHBondContact O-CB 3.4Å; V343-T347 PolarHBondContact O-N 2.76Å; V343-T347 PolarHBondContact O-OG1 3.39Å; D344-T347 PolarHBondContact O-N 2.72Å; K345-T347 VanDerWaalsContact C-N 3.27Å; K345-T347 PolarHBondContact O-N 2.81Å; T347-K350 PolarHBondContact O-N 2.79Å; T347-V351 WeakPolarHBondContact O-CG2 3.39Å; T347-V351 PolarHBondContact O-N 2.87Å; T347-F358 HydrophobicContact CG2-CE1 4.27Å; T347-L398 HydrophobicContact CG2-CD2 4.09Å; T347-L398 HydrophobicContact CG2-CG 4.09Å |
| 348 | H | 88.2 | Confident | 82.3 | Confident | 57 Ų | 57 | 52.8 Ų | 52.8 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 174.2 | 179.4 | 86.7 | 0 | 0 | 0 | 112.1 | D344 K345 K350 V351 K352 S400 S401 | D344-H348 PolarHBondContact O-N 3.39Å; K345-H348 WeakPolarHBondContact O-CB 3.32Å; K345-H348 PolarHBondContact O-N 3.23Å; K345-H348 VanDerWaalsContact O-N 3.11Å; H348-K350 VanDerWaalsContact C-N 3.3Å; H348-K350 PolarHBondContact O-N 3.08Å; H348-V351 PolarHBondContact O-N 3.13Å; H348-K352 VanDerWaalsContact O-CB 3.3Å; H348-K352 WeakPolarHBondContact O-CB 2.89Å; H348-K352 PolarHBondContact O-N 3.04Å; H348-S400 PolarHBondContact CE1-O 3.05Å; H348-S400 VanDerWaalsContact CE1-O 3.29Å; H348-S400 PolarHBondContact ND1-O 3.41Å; H348-S401 WeakPolarHBondContact CA-OG 3.23Å; H348-S401 PolarHBondContact ND1-OG 3.05Å; H348-S401 VanDerWaalsContact ND1-OG 3.12Å |
| 349 | D | 86.8 | Confident | 83.1 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 179.1 | -72.3 | -32.1 | 0 | 0 | 0 | 111.3 | K345 K352 E353 | K345-D349 WeakPolarHBondContact CE-OD2 3.02Å; K345-D349 PolarHBondContact O-N 2.86Å; D349-K352 PolarHBondContact O-N 3.09Å; D349-E353 VanDerWaalsContact O-CB 3.32Å; D349-E353 WeakPolarHBondContact O-CB 3.09Å; D349-E353 PolarHBondContact O-N 3.04Å |
| 350 | K | 87.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.5 | -33.8 | 173.5 | -76.4 | -71.2 | 172 | -154.2 | 0 | 114.4 | N321 W346 T347 H348 K352 E353 C354 F358 | N321-K350 PolarHBondContact OD1-NZ 2.95Å; W346-K350 HydrophobicContact CD2-CG 4.28Å; W346-K350 HydrophobicContact CZ2-CG 4.11Å; W346-K350 VanDerWaalsContact O-CB 3.3Å; W346-K350 WeakPolarHBondContact O-CB 3.39Å; W346-K350 WeakPolarHBondContact O-CG 3.27Å; W346-K350 PolarHBondContact O-N 3.03Å; T347-K350 PolarHBondContact O-N 2.79Å; H348-K350 VanDerWaalsContact C-N 3.3Å; H348-K350 PolarHBondContact O-N 3.08Å; K350-K352 VanDerWaalsContact C-N 3.34Å; K350-E353 WeakPolarHBondContact CD-OE2 2.85Å; K350-E353 WeakPolarHBondContact CE-OE2 3.16Å; K350-E353 IonicContact NZ-OE1 3.83Å; K350-E353 PolarHBondContact NZ-OE1 2.85Å; K350-E353 IonicContact NZ-OE2 3.28Å; K350-E353 PolarHBondContact NZ-OE2 2.81Å; K350-E353 PolarHBondContact O-N 3.25Å; K350-C354 VanDerWaalsContact O-CB 3.29Å; K350-C354 WeakPolarHBondContact O-CB 3.34Å; K350-C354 PolarHBondContact O-N 3.37Å; K350-C354 PolarHBondContact O-SG 2.98Å; K350-F358 HydrophobicContact CB-CD1 3.76Å; K350-F358 HydrophobicContact CB-CD2 4.02Å; K350-F358 HydrophobicContact CB-CE1 3.5Å; K350-F358 VanDerWaalsContact CB-CE1 3.5Å; K350-F358 HydrophobicContact CB-CE2 3.79Å; K350-F358 HydrophobicContact CB-CG 4.03Å; K350-F358 HydrophobicContact CB-CZ 3.52Å; K350-F358 HydrophobicContact CD-CE2 4.4Å; K350-F358 HydrophobicContact CG-CE1 4.44Å; K350-F358 HydrophobicContact CG-CE2 4.1Å; K350-F358 HydrophobicContact CG-CZ 3.99Å |
| 351 | V | 87.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 169.8 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | T347 H348 G355 F358 L398 L404 L405 | T347-V351 WeakPolarHBondContact O-CG2 3.39Å; T347-V351 PolarHBondContact O-N 2.87Å; H348-V351 PolarHBondContact O-N 3.13Å; V351-G355 WeakPolarHBondContact O-CA 3.22Å; V351-G355 PolarHBondContact O-N 2.97Å; V351-F358 HydrophobicContact CG2-CD1 3.87Å; V351-L398 HydrophobicContact CG2-CD2 4.2Å; V351-L404 HydrophobicContact CG1-CB 3.97Å; V351-L404 HydrophobicContact CG1-CD1 4.14Å; V351-L405 HydrophobicContact CG1-CD2 3.55Å; V351-L405 HydrophobicContact CG1-CG 4.1Å |
| 352 | K | 84.7 | Confident | 85.8 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.8 | -31.6 | 174.7 | -176 | -172.7 | 169.2 | -156.7 | 0 | 112.9 | H348 D349 K350 L404 F1062 | H348-K352 VanDerWaalsContact O-CB 3.3Å; H348-K352 WeakPolarHBondContact O-CB 2.89Å; H348-K352 PolarHBondContact O-N 3.04Å; D349-K352 PolarHBondContact O-N 3.09Å; K350-K352 VanDerWaalsContact C-N 3.34Å; K352-L404 HydrophobicContact CB-CD1 3.91Å; K352-L404 HydrophobicContact CG-CD1 4.44Å; K352-F1062 HydrophobicContact CG-CE2 4.31Å; K352-F1062 WeakPolarHBondContact O-CE2 3.3Å; K352-F1062 VanDerWaalsContact O-CZ 3.26Å; K352-F1062 WeakPolarHBondContact O-CZ 3.39Å |
| 353 | E | 82.3 | Confident | 86 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -76.6 | -55.6 | 173.7 | 166.8 | 179.2 | 173 | 0 | 0 | 112.9 | D349 K350 R1069 | D349-E353 VanDerWaalsContact O-CB 3.32Å; D349-E353 WeakPolarHBondContact O-CB 3.09Å; D349-E353 PolarHBondContact O-N 3.04Å; K350-E353 WeakPolarHBondContact CD-OE2 2.85Å; K350-E353 WeakPolarHBondContact CE-OE2 3.16Å; K350-E353 IonicContact NZ-OE1 3.83Å; K350-E353 PolarHBondContact NZ-OE1 2.85Å; K350-E353 IonicContact NZ-OE2 3.28Å; K350-E353 PolarHBondContact NZ-OE2 2.81Å; K350-E353 PolarHBondContact O-N 3.25Å; E353-R1069 WeakPolarHBondContact OE2-CD 3.31Å |
| 354 | C | 82.5 | Confident | 85.9 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -92.9 | -9.1 | -169.1 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | H325 K350 F358 | H325-C354 PolarHBondContact CE1-SG 3.26Å; K350-C354 VanDerWaalsContact O-CB 3.29Å; K350-C354 WeakPolarHBondContact O-CB 3.34Å; K350-C354 PolarHBondContact O-N 3.37Å; K350-C354 PolarHBondContact O-SG 2.98Å; C354-F358 HydrophobicContact CB-CB 3.63Å |
| 355 | G | 78.7 | Confident | 85.8 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | -154.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V351 E357 F358 | V351-G355 WeakPolarHBondContact O-CA 3.22Å; V351-G355 PolarHBondContact O-N 2.97Å; G355-E357 VanDerWaalsContact C-N 3.28Å; G355-E357 PolarHBondContact O-N 2.84Å; G355-F358 PolarHBondContact O-N 3.29Å |
| 356 | E | 81.7 | Confident | 85.7 | Confident | 92 Ų | 92 | 36.3 Ų | 36.3 | 43% | 0.43 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.2 | -17.4 | -169 | 76.9 | 179.7 | 155.4 | 0 | 0 | 115.1 | F358 G359 Q360 L405 S406 I409 | E356-F358 PolarHBondContact O-N 3.32Å; E356-G359 PolarHBondContact O-N 3.3Å; E356-Q360 PolarHBondContact O-N 2.96Å; E356-L405 HydrophobicContact CB-CD2 4Å; E356-S406 WeakPolarHBondContact OE2-CB 2.97Å; E356-S406 PolarHBondContact OE2-N 3.26Å; E356-S406 PolarHBondContact OE2-OG 3.38Å; E356-I409 HydrophobicContact CB-CD1 3.75Å; E356-I409 HydrophobicContact CG-CD1 4.01Å; E356-I409 WeakPolarHBondContact OE2-CD1 3.43Å |
| 357 | E | 82.6 | Confident | 85.2 | Confident | 96 Ų | 96 | 39.7 Ų | 39.7 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.4 | 178 | 164.5 | -171.8 | 0 | 0 | 111.1 | G355 G359 Q360 R361 | G355-E357 VanDerWaalsContact C-N 3.28Å; G355-E357 PolarHBondContact O-N 2.84Å; E357-G359 VanDerWaalsContact C-N 3.28Å; E357-G359 PolarHBondContact O-N 2.86Å; E357-Q360 PolarHBondContact O-N 2.92Å; E357-Q360 VanDerWaalsContact O-N 3.15Å; E357-R361 HydrophobicContact CG-CG 4.19Å; E357-R361 WeakPolarHBondContact O-CG 3.39Å; E357-R361 PolarHBondContact O-N 2.89Å; E357-R361 IonicContact OE1-CZ 3.35Å; E357-R361 VanDerWaalsContact OE1-CZ 3.31Å; E357-R361 IonicContact OE1-NE 2.72Å; E357-R361 PolarHBondContact OE1-NE 3.16Å; E357-R361 VanDerWaalsContact OE1-NE 3.09Å; E357-R361 IonicContact OE1-NH2 2.71Å; E357-R361 PolarHBondContact OE1-NH2 3.47Å |
| 358 | F | 89.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.5 | -175.6 | -87.1 | 0 | 0 | 0 | 111.7 | H325 I329 W346 T347 K350 V351 C354 G355 E356 R361 C362 | H325-F358 HydrophobicContact CB-CD2 3.79Å; H325-F358 HydrophobicContact CB-CE2 4.18Å; H325-F358 AromaticContact CG-CD2 3.65Å; H325-F358 AromaticContact ND1-CD2 3.92Å; I329-F358 HydrophobicContact CD1-CE2 4.23Å; I329-F358 HydrophobicContact CD1-CZ 4.32Å; I329-F358 HydrophobicContact CG1-CE2 4.02Å; I329-F358 HydrophobicContact CG1-CZ 3.91Å; W346-F358 HydrophobicContact CE3-CZ 4.42Å; W346-F358 HydrophobicContact CH2-CE2 4.12Å; W346-F358 AromaticContact CH2-CZ 3.64Å; W346-F358 HydrophobicContact CH2-CZ 3.64Å; W346-F358 HydrophobicContact CZ2-CZ 4.33Å; W346-F358 AromaticContact CZ3-CZ 3.7Å; W346-F358 HydrophobicContact CZ3-CZ 3.7Å; T347-F358 HydrophobicContact CG2-CE1 4.27Å; K350-F358 HydrophobicContact CB-CD1 3.76Å; K350-F358 HydrophobicContact CB-CD2 4.02Å; K350-F358 HydrophobicContact CB-CE1 3.5Å; K350-F358 VanDerWaalsContact CB-CE1 3.5Å; K350-F358 HydrophobicContact CB-CE2 3.79Å; K350-F358 HydrophobicContact CB-CG 4.03Å; K350-F358 HydrophobicContact CB-CZ 3.52Å; K350-F358 HydrophobicContact CD-CE2 4.4Å; K350-F358 HydrophobicContact CG-CE1 4.44Å; K350-F358 HydrophobicContact CG-CE2 4.1Å; K350-F358 HydrophobicContact CG-CZ 3.99Å; V351-F358 HydrophobicContact CG2-CD1 3.87Å; C354-F358 HydrophobicContact CB-CB 3.63Å; G355-F358 PolarHBondContact O-N 3.29Å; E356-F358 PolarHBondContact O-N 3.32Å; F358-R361 PolarHBondContact O-N 3.27Å; F358-C362 WeakPolarHBondContact CE1-SG 3.23Å; F358-C362 PolarHBondContact O-N 3.28Å; F358-C362 PolarHBondContact O-SG 3.08Å |
| 359 | G | 86.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E356 E357 C362 I363 | E356-G359 PolarHBondContact O-N 3.3Å; E357-G359 VanDerWaalsContact C-N 3.28Å; E357-G359 PolarHBondContact O-N 2.86Å; G359-C362 PolarHBondContact O-N 2.89Å; G359-I363 WeakPolarHBondContact O-CG1 3.14Å; G359-I363 PolarHBondContact O-N 2.66Å |
| 360 | Q | 88.2 | Confident | 82.4 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -41 | 174.9 | -175.3 | 59.3 | 47.6 | 0 | 0 | 112.2 | E356 E357 C362 I363 D364 I409 | E356-Q360 PolarHBondContact O-N 2.96Å; E357-Q360 PolarHBondContact O-N 2.92Å; E357-Q360 VanDerWaalsContact O-N 3.15Å; Q360-C362 VanDerWaalsContact C-N 3.33Å; Q360-C362 PolarHBondContact O-N 3.35Å; Q360-I363 WeakPolarHBondContact O-CB 3.46Å; Q360-I363 PolarHBondContact O-N 2.74Å; Q360-D364 PolarHBondContact NE2-OD1 3.03Å; Q360-D364 PolarHBondContact NE2-OD2 3.19Å; Q360-D364 PolarHBondContact O-N 2.94Å; Q360-I409 HydrophobicContact CB-CD1 4.24Å |
| 361 | R | 88.3 | Confident | 81.1 | Confident | 98 Ų | 98 | 41.4 Ų | 41.4 | 37% | 0.37 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.4 | -35 | 175.7 | -62.9 | -56.1 | -172.3 | 114.1 | 6.7 | 112.6 | H325 T326 I329 E357 F358 F365 | H325-R361 HydrophobicContact CB-CB 4.23Å; H325-R361 HydrophobicContact CB-CG 4.12Å; T326-R361 PolarHBondContact OG1-NH1 2.86Å; I329-R361 HydrophobicContact CD1-CB 3.95Å; E357-R361 HydrophobicContact CG-CG 4.19Å; E357-R361 WeakPolarHBondContact O-CG 3.39Å; E357-R361 PolarHBondContact O-N 2.89Å; E357-R361 IonicContact OE1-CZ 3.35Å; E357-R361 VanDerWaalsContact OE1-CZ 3.31Å; E357-R361 IonicContact OE1-NE 2.72Å; E357-R361 PolarHBondContact OE1-NE 3.16Å; E357-R361 VanDerWaalsContact OE1-NE 3.09Å; E357-R361 IonicContact OE1-NH2 2.71Å; E357-R361 PolarHBondContact OE1-NH2 3.47Å; F358-R361 PolarHBondContact O-N 3.27Å; R361-F365 VanDerWaalsContact O-CB 3.29Å; R361-F365 WeakPolarHBondContact O-CB 3.44Å; R361-F365 PolarHBondContact O-N 3.48Å |
| 362 | C | 87.8 | Confident | 79.3 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 172.9 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | I329 F358 G359 Q360 D364 F365 M366 L398 | I329-C362 HydrophobicContact CD1-CB 4.43Å; I329-C362 VanDerWaalsContact CD1-SG 3.52Å; F358-C362 WeakPolarHBondContact CE1-SG 3.23Å; F358-C362 PolarHBondContact O-N 3.28Å; F358-C362 PolarHBondContact O-SG 3.08Å; G359-C362 PolarHBondContact O-N 2.89Å; Q360-C362 VanDerWaalsContact C-N 3.33Å; Q360-C362 PolarHBondContact O-N 3.35Å; C362-D364 VanDerWaalsContact C-N 3.35Å; C362-D364 PolarHBondContact O-N 3.31Å; C362-F365 PolarHBondContact O-N 2.86Å; C362-M366 WeakPolarHBondContact O-CB 3.31Å; C362-M366 WeakPolarHBondContact O-CG 3.14Å; C362-M366 PolarHBondContact O-N 3.17Å; C362-L398 HydrophobicContact CB-CD1 3.86Å; C362-L398 HydrophobicContact CB-CD2 4.07Å; C362-L398 HydrophobicContact CB-CG 4.37Å |
| 363 | I | 87.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -46.4 | 174.7 | -74.3 | 170.2 | 0 | 0 | 0 | 111.1 | G359 Q360 M366 K367 L398 I409 A412 V413 I416 | G359-I363 WeakPolarHBondContact O-CG1 3.14Å; G359-I363 PolarHBondContact O-N 2.66Å; Q360-I363 WeakPolarHBondContact O-CB 3.46Å; Q360-I363 PolarHBondContact O-N 2.74Å; I363-M366 HydrophobicContact CG1-CE 4.5Å; I363-M366 PolarHBondContact O-N 2.91Å; I363-K367 HydrophobicContact CG2-CD 4.33Å; I363-K367 VanDerWaalsContact CG2-CE 3.41Å; I363-K367 WeakPolarHBondContact O-CG 3.5Å; I363-K367 PolarHBondContact O-N 3.32Å; I363-L398 HydrophobicContact CG1-CD1 4.48Å; I363-I409 HydrophobicContact CD1-CB 4.48Å; I363-I409 HydrophobicContact CD1-CG2 3.66Å; I363-A412 HydrophobicContact CD1-CB 4Å; I363-A412 HydrophobicContact CG2-CB 4.45Å; I363-V413 HydrophobicContact CD1-CG2 3.8Å; I363-V413 HydrophobicContact CG1-CG2 4.18Å; I363-I416 HydrophobicContact CB-CD1 4.36Å; I363-I416 HydrophobicContact CG1-CD1 4.37Å; I363-I416 HydrophobicContact CG2-CD1 3.91Å |
| 364 | D | 85.2 | Confident | 75.1 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -74.3 | -34.8 | -177.5 | -64.9 | -27.9 | 0 | 0 | 0 | 112.4 | Q360 C362 K367 E368 | Q360-D364 PolarHBondContact NE2-OD1 3.03Å; Q360-D364 PolarHBondContact NE2-OD2 3.19Å; Q360-D364 PolarHBondContact O-N 2.94Å; C362-D364 VanDerWaalsContact C-N 3.35Å; C362-D364 PolarHBondContact O-N 3.31Å; D364-K367 PolarHBondContact O-N 3.35Å; D364-K367 IonicContact OD1-NZ 3.87Å; D364-K367 PolarHBondContact OD1-NZ 3.31Å; D364-E368 WeakPolarHBondContact O-CB 3.32Å; D364-E368 PolarHBondContact O-N 2.85Å |
| 365 | F | 84.5 | Confident | 72.9 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 169.3 | -179.9 | -90 | 0 | 0 | 0 | 111.6 | I329 H330 C333 R361 C362 E368 R369 I386 | I329-F365 HydrophobicContact CG2-CB 4.14Å; I329-F365 HydrophobicContact CG2-CD1 3.62Å; I329-F365 HydrophobicContact CG2-CD2 4.12Å; I329-F365 HydrophobicContact CG2-CE1 4.03Å; I329-F365 HydrophobicContact CG2-CE2 4.47Å; I329-F365 HydrophobicContact CG2-CG 3.68Å; I329-F365 HydrophobicContact CG2-CZ 4.44Å; H330-F365 HydrophobicContact CB-CE2 3.82Å; H330-F365 HydrophobicContact CB-CZ 4.34Å; H330-F365 AromaticContact CG-CE2 3.75Å; H330-F365 AromaticContact ND1-CE2 3.94Å; C333-F365 HydrophobicContact CB-CZ 4.29Å; C333-F365 WeakPolarHBondContact SG-CE1 3.28Å; R361-F365 VanDerWaalsContact O-CB 3.29Å; R361-F365 WeakPolarHBondContact O-CB 3.44Å; R361-F365 PolarHBondContact O-N 3.48Å; C362-F365 PolarHBondContact O-N 2.86Å; F365-E368 PolarHBondContact O-N 3.21Å; F365-R369 HydrophobicContact CD2-CG 4.48Å; F365-R369 HydrophobicContact CE1-CB 4.45Å; F365-R369 HydrophobicContact CE2-CG 4.13Å; F365-R369 HydrophobicContact CZ-CB 4.46Å; F365-R369 HydrophobicContact CZ-CG 4.2Å; F365-R369 WeakPolarHBondContact O-CB 3.19Å; F365-R369 PolarHBondContact O-N 3.04Å; F365-I386 HydrophobicContact CE1-CD1 3.84Å; F365-I386 HydrophobicContact CZ-CD1 3.87Å |
| 366 | M | 82.6 | Confident | 71 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.7 | -74.2 | -173.6 | -67.6 | 0 | 0 | 111.6 | C362 I363 C370 F371 V391 L395 L398 I416 | C362-M366 WeakPolarHBondContact O-CB 3.31Å; C362-M366 WeakPolarHBondContact O-CG 3.14Å; C362-M366 PolarHBondContact O-N 3.17Å; I363-M366 HydrophobicContact CG1-CE 4.5Å; I363-M366 PolarHBondContact O-N 2.91Å; M366-C370 WeakPolarHBondContact O-CA 3.15Å; M366-C370 WeakPolarHBondContact O-CB 3.29Å; M366-C370 PolarHBondContact O-N 3.04Å; M366-F371 HydrophobicContact CB-CE2 4.32Å; M366-F371 VanDerWaalsContact O-CD2 3.31Å; M366-F371 WeakPolarHBondContact O-CD2 3.26Å; M366-F371 PolarHBondContact O-N 3.35Å; M366-V391 HydrophobicContact SD-CG1 4.34Å; M366-L395 HydrophobicContact CE-CD2 3.86Å; M366-L395 HydrophobicContact CE-CG 4.46Å; M366-L395 HydrophobicContact SD-CD2 3.91Å; M366-L395 HydrophobicContact SD-CG 3.91Å; M366-L398 HydrophobicContact CE-CD1 3.51Å; M366-I416 HydrophobicContact CB-CD1 4.49Å; M366-I416 HydrophobicContact CE-CD1 4.26Å; M366-I416 HydrophobicContact CE-CG2 4.16Å; M366-I416 HydrophobicContact SD-CG2 4.12Å |
| 367 | K | 78.4 | Confident | 68.9 | Low | 94 Ų | 94 | 65.7 Ų | 65.7 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 173.1 | -69.6 | 169.7 | -166.2 | 157.5 | 0 | 112.1 | I363 D364 R369 I416 | I363-K367 HydrophobicContact CG2-CD 4.33Å; I363-K367 VanDerWaalsContact CG2-CE 3.41Å; I363-K367 WeakPolarHBondContact O-CG 3.5Å; I363-K367 PolarHBondContact O-N 3.32Å; D364-K367 PolarHBondContact O-N 3.35Å; D364-K367 IonicContact OD1-NZ 3.87Å; D364-K367 PolarHBondContact OD1-NZ 3.31Å; K367-R369 PolarHBondContact O-N 2.79Å; K367-I416 HydrophobicContact CG-CD1 4.45Å |
| 368 | E | 73.7 | Confident | 66.8 | Low | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.7 | -27.6 | -177.5 | -74.8 | -169.5 | 166.7 | 0 | 0 | 113.2 | D364 F365 R2226 | D364-E368 WeakPolarHBondContact O-CB 3.32Å; D364-E368 PolarHBondContact O-N 2.85Å; F365-E368 PolarHBondContact O-N 3.21Å; E368-R2226 IonicContact OE1-CZ 3.2Å; E368-R2226 IonicContact OE1-NE 3.35Å; E368-R2226 PolarHBondContact OE1-NE 3.34Å; E368-R2226 IonicContact OE1-NH2 3.08Å; E368-R2226 PolarHBondContact OE1-NH2 3.16Å; E368-R2226 VanDerWaalsContact OE1-NH2 3.09Å; E368-R2226 IonicContact OE2-NH2 3.27Å |
| 369 | R | 69.1 | Low | 64.6 | Low | 42 Ų | 42 | 70.2 Ų | 70.2 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -122.3 | -16.1 | -171.9 | -65.6 | -69.7 | -179 | 145.1 | -0.2 | 117.2 | P297 S300 F365 K367 D383 I386 | P297-R369 PolarHBondContact O-NH2 3.44Å; S300-R369 PolarHBondContact OG-NH1 3.49Å; S300-R369 PolarHBondContact OG-NH2 3.47Å; F365-R369 HydrophobicContact CD2-CG 4.48Å; F365-R369 HydrophobicContact CE1-CB 4.45Å; F365-R369 HydrophobicContact CE2-CG 4.13Å; F365-R369 HydrophobicContact CZ-CB 4.46Å; F365-R369 HydrophobicContact CZ-CG 4.2Å; F365-R369 WeakPolarHBondContact O-CB 3.19Å; F365-R369 PolarHBondContact O-N 3.04Å; K367-R369 PolarHBondContact O-N 2.79Å; R369-D383 IonicContact CZ-OD2 2.64Å; R369-D383 IonicContact NH1-OD2 3.66Å; R369-D383 PolarHBondContact NH1-OD2 3.41Å; R369-D383 PolarHBondContact O-N 2.89Å; R369-I386 HydrophobicContact CB-CD1 3.68Å; R369-I386 HydrophobicContact CG-CD1 4.38Å |
| 370 | C | 63.3 | Low | 62.9 | Low | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -114 | -17.9 | -179.5 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | M366 I380 | M366-C370 WeakPolarHBondContact O-CA 3.15Å; M366-C370 WeakPolarHBondContact O-CB 3.29Å; M366-C370 PolarHBondContact O-N 3.04Å; C370-I380 WeakPolarHBondContact O-CG2 3.36Å |
| 371 | F | 58.1 | Low | 61.3 | Low | 28 Ų | 28 | 72.9 Ų | 72.9 | 12% | 0.123 | 40% | 0.402 | C | S | . | . | trans | -124.6 | 50.4 | -177.6 | -58.9 | -80.1 | 0 | 0 | 0 | 111.2 | M366 Q373 I380 I416 K419 | M366-F371 HydrophobicContact CB-CE2 4.32Å; M366-F371 VanDerWaalsContact O-CD2 3.31Å; M366-F371 WeakPolarHBondContact O-CD2 3.26Å; M366-F371 PolarHBondContact O-N 3.35Å; F371-Q373 PolarHBondContact O-N 2.87Å; F371-I380 HydrophobicContact CD1-CD1 4.02Å; F371-I380 HydrophobicContact CD1-CG1 4.03Å; F371-I380 HydrophobicContact CE1-CD1 3.65Å; F371-I380 HydrophobicContact CE1-CG1 4.15Å; F371-I380 HydrophobicContact CE1-CG2 4.49Å; F371-I416 HydrophobicContact CE2-CG1 4.34Å; F371-I416 HydrophobicContact CE2-CG2 3.67Å; F371-I416 HydrophobicContact CZ-CG2 3.77Å; F371-K419 HydrophobicContact CE1-CB 3.97Å | ||
| 372 | V | 51.2 | Low | 59.8 | Low | 87 Ų | 87 | 70.9 Ų | 70.9 | 53% | 0.527 | 40% | 0.399 | S | S | . | . | trans | -63.2 | -17.9 | -162.7 | -179.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 373 | Q | 45.6 | Very low | 58.7 | Low | 138 Ų | 138 | 72.3 Ų | 72.3 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | trans | -130.6 | 118.3 | 171.5 | -65.8 | -173.7 | -97.6 | 0 | 0 | 111.9 | F371 | F371-Q373 PolarHBondContact O-N 2.87Š| ||
| 374 | M | 32.7 | Very low | 57.5 | Low | 155 Ų | 155 | 78.8 Ų | 78.8 | 76% | 0.764 | 45% | 0.448 | S | S | * | . | trans | -96.9 | 76.9 | 165.6 | -80.9 | -172.7 | 151 | 0 | 0 | 110.1 | ||||
| 375 | D | 37.2 | Very low | 56.4 | Low | 133 Ų | 133 | 78.3 Ų | 78.3 | 71% | 0.711 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -119.1 | 154.1 | 159.3 | -82.8 | -58.7 | 0 | 0 | 0 | 108.2 | S377 | D375-S377 PolarHBondContact O-N 3.13Š|
| 376 | D | 37.5 | Very low | 55.7 | Low | 183 Ų | 183 | 78.3 Ų | 78.3 | 98% | 0.979 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -72.9 | 41.2 | -166.8 | -71.9 | -49 | 0 | 0 | 0 | 115.4 | ||
| 377 | S | 37.1 | Very low | 55.2 | Low | 101 Ų | 101 | 79.2 Ų | 79.2 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -145.1 | 81 | -178.3 | -139.5 | 0 | 0 | 0 | 0 | 115.4 | D375 A379 | D375-S377 PolarHBondContact O-N 3.13Å; S377-A379 VanDerWaalsContact C-N 3.28Å; S377-A379 PolarHBondContact O-N 3.28Å |
| 378 | A | 38.5 | Very low | 55 | Low | 116 Ų | 116 | 77.9 Ų | 77.9 | 96% | 0.959 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 53.5 | -0.6 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||
| 379 | A | 44.3 | Very low | 55.3 | Low | 76 Ų | 76 | 78.2 Ų | 78.2 | 63% | 0.628 | 46% | 0.458 | S | S | * | . | trans | -117.5 | 121.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S377 | S377-A379 VanDerWaalsContact C-N 3.28Å; S377-A379 PolarHBondContact O-N 3.28Å | ||
| 380 | I | 51 | Low | 55.9 | Low | 47 Ų | 47 | 76.2 Ų | 76.2 | 24% | 0.241 | 45% | 0.451 | C | S | . | . | trans | -100.2 | 126.3 | 173.7 | -76.8 | 164.1 | 0 | 0 | 0 | 109.2 | C370 F371 L382 K419 | C370-I380 WeakPolarHBondContact O-CG2 3.36Å; F371-I380 HydrophobicContact CD1-CD1 4.02Å; F371-I380 HydrophobicContact CD1-CG1 4.03Å; F371-I380 HydrophobicContact CE1-CD1 3.65Å; F371-I380 HydrophobicContact CE1-CG1 4.15Å; F371-I380 HydrophobicContact CE1-CG2 4.49Å; I380-L382 HydrophobicContact CG2-CD1 4.5Å; I380-K419 HydrophobicContact CD1-CB 4.3Å; I380-K419 WeakPolarHBondContact CD1-O 3.4Å | ||
| 381 | T | 53.2 | Low | 56.8 | Low | 72 Ų | 72 | 76.2 Ų | 76.2 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | trans | -118.2 | 115.7 | 177.7 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | L | 58.3 | Low | 58.1 | Low | 56 Ų | 56 | 77 Ų | 77 | 29% | 0.293 | 46% | 0.46 | S | S | . | . | trans | -78.2 | 149.7 | 170.9 | -67.8 | 84.7 | 0 | 0 | 0 | 110.5 | I380 V391 W420 | I380-L382 HydrophobicContact CG2-CD1 4.5Å; L382-V391 HydrophobicContact CD2-CG2 3.87Å; L382-W420 HydrophobicContact CD1-CH2 4Å; L382-W420 HydrophobicContact CD1-CZ3 3.87Å; L382-W420 HydrophobicContact CD2-CH2 3.91Å; L382-W420 HydrophobicContact CD2-CZ3 4.23Å; L382-W420 HydrophobicContact CG-CH2 4.37Å; L382-W420 HydrophobicContact CG-CZ3 4.26Å | ||
| 383 | D | 63.9 | Low | 59.7 | Low | 32 Ų | 32 | 74.4 Ų | 74.4 | 17% | 0.171 | 45% | 0.445 | C | S | . | . | trans | -54.8 | 122.1 | 153.4 | -173.1 | -41.7 | 0 | 0 | 0 | 109.2 | R369 S385 I386 | R369-D383 IonicContact CZ-OD2 2.64Å; R369-D383 IonicContact NH1-OD2 3.66Å; R369-D383 PolarHBondContact NH1-OD2 3.41Å; R369-D383 PolarHBondContact O-N 2.89Å; D383-S385 VanDerWaalsContact CG-OG 3.29Å; D383-S385 PolarHBondContact O-N 2.94Å; D383-S385 WeakPolarHBondContact OD1-CB 3.48Å; D383-S385 PolarHBondContact OD1-N 2.88Å; D383-S385 PolarHBondContact OD1-OG 3.42Å; D383-I386 HydrophobicContact CB-CD1 4.1Å; D383-I386 HydrophobicContact CB-CG1 4.25Å; D383-I386 PolarHBondContact O-N 2.99Å | ||
| 384 | P | 61.6 | Low | 61.6 | Low | 136 Ų | 136 | 68 Ų | 68 | 88% | 0.883 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -6.2 | -173.9 | 27.9 | -35.9 | 0 | 0 | 0 | 114.1 | I386 | P384-I386 VanDerWaalsContact C-N 3.31Š|
| 385 | S | 61.7 | Low | 64.3 | Low | 46 Ų | 46 | 60.8 Ų | 60.8 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.6 | 169.2 | 65.3 | 0 | 0 | 0 | 0 | 114 | D383 | D383-S385 VanDerWaalsContact CG-OG 3.29Å; D383-S385 PolarHBondContact O-N 2.94Å; D383-S385 WeakPolarHBondContact OD1-CB 3.48Å; D383-S385 PolarHBondContact OD1-N 2.88Å; D383-S385 PolarHBondContact OD1-OG 3.42Å |
| 386 | I | 70.2 | Confident | 66.7 | Low | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -109.7 | 117.7 | -174.6 | -53.4 | 179.1 | 0 | 0 | 0 | 110.7 | C333 F365 R369 D383 P384 V391 | C333-I386 HydrophobicContact CB-CG1 4.46Å; F365-I386 HydrophobicContact CE1-CD1 3.84Å; F365-I386 HydrophobicContact CZ-CD1 3.87Å; R369-I386 HydrophobicContact CB-CD1 3.68Å; R369-I386 HydrophobicContact CG-CD1 4.38Å; D383-I386 HydrophobicContact CB-CD1 4.1Å; D383-I386 HydrophobicContact CB-CG1 4.25Å; D383-I386 PolarHBondContact O-N 2.99Å; P384-I386 VanDerWaalsContact C-N 3.31Å; I386-V391 HydrophobicContact CG2-CG2 3.83Å |
| 387 | P | 72.8 | Confident | 69 | Low | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | trans | -67.1 | 145.4 | 176.4 | -23 | 35.4 | 0 | 0 | 0 | 113.4 | F336 K337 E389 M390 V391 | F336-P387 HydrophobicContact CD1-CB 4.33Å; F336-P387 HydrophobicContact CD1-CG 4.11Å; K337-P387 HydrophobicContact CD-CG 4.43Å; P387-E389 HydrophobicContact CB-CB 4.38Å; P387-E389 PolarHBondContact O-N 3.35Å; P387-M390 HydrophobicContact CB-CB 4.06Å; P387-M390 HydrophobicContact CG-CB 4.35Å; P387-M390 VanDerWaalsContact O-CB 3.24Å; P387-M390 WeakPolarHBondContact O-CB 3.46Å; P387-M390 PolarHBondContact O-N 2.97Å; P387-V391 PolarHBondContact O-N 3.01Å | ||
| 388 | P | 74.5 | Confident | 71.5 | Confident | 66 Ų | 66 | 43 Ų | 43 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.5 | -28.9 | 174.2 | 28.3 | -34.9 | 0 | 0 | 0 | 112.3 | M390 V391 S392 W420 | P388-M390 PolarHBondContact O-N 3.12Å; P388-V391 PolarHBondContact O-N 3.18Å; P388-S392 WeakPolarHBondContact O-CB 3.25Å; P388-S392 PolarHBondContact O-N 2.86Å; P388-S392 VanDerWaalsContact O-N 3.1Å; P388-S392 PolarHBondContact O-OG 3.37Å; P388-W420 HydrophobicContact CB-CH2 3.84Å; P388-W420 HydrophobicContact CB-CZ2 3.86Å; P388-W420 WeakPolarHBondContact O-CZ2 3.23Å |
| 389 | E | 78.8 | Confident | 73.9 | Confident | 102 Ų | 102 | 39.8 Ų | 39.8 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.8 | -44.2 | 168.4 | -62.1 | 141.6 | 169.7 | 0 | 0 | 110.3 | F336 K337 P387 S392 S393 | F336-E389 HydrophobicContact CE1-CB 3.75Å; F336-E389 HydrophobicContact CZ-CB 4.18Å; K337-E389 WeakPolarHBondContact CE-OE2 3.21Å; K337-E389 IonicContact NZ-OE1 3.16Å; K337-E389 IonicContact NZ-OE2 2.74Å; K337-E389 PolarHBondContact NZ-OE2 3.16Å; P387-E389 HydrophobicContact CB-CB 4.38Å; P387-E389 PolarHBondContact O-N 3.35Å; E389-S392 WeakPolarHBondContact O-CB 3.34Å; E389-S392 PolarHBondContact O-N 2.97Å; E389-S393 PolarHBondContact O-N 3.5Å; E389-S393 PolarHBondContact O-OG 2.99Å |
| 390 | M | 82.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.4 | -44.7 | -177 | 179.5 | 52 | 145.6 | 0 | 0 | 112.9 | V332 C333 F336 V343 P387 P388 S392 S393 L394 | V332-M390 HydrophobicContact CB-CE 4.21Å; V332-M390 HydrophobicContact CG1-CE 3.32Å; V332-M390 WeakPolarHBondContact O-CE 3.18Å; C333-M390 VanDerWaalsContact CA-CE 3.46Å; C333-M390 HydrophobicContact CB-CE 4.45Å; F336-M390 HydrophobicContact CB-CE 3.94Å; F336-M390 HydrophobicContact CB-SD 4.22Å; F336-M390 HydrophobicContact CD1-CB 3.99Å; F336-M390 HydrophobicContact CD2-CE 4.06Å; F336-M390 HydrophobicContact CD2-SD 3.6Å; F336-M390 VanDerWaalsContact CD2-SD 3.6Å; F336-M390 HydrophobicContact CE1-CB 4.21Å; F336-M390 HydrophobicContact CE2-SD 4Å; F336-M390 HydrophobicContact CG-CB 4.19Å; F336-M390 HydrophobicContact CG-CE 4.21Å; F336-M390 HydrophobicContact CG-CG 4.36Å; F336-M390 HydrophobicContact CG-SD 3.87Å; V343-M390 HydrophobicContact CB-CE 4.32Å; V343-M390 HydrophobicContact CB-SD 3.99Å; V343-M390 HydrophobicContact CG1-CE 3.82Å; V343-M390 HydrophobicContact CG1-SD 3.69Å; V343-M390 HydrophobicContact CG2-CE 3.7Å; V343-M390 HydrophobicContact CG2-SD 3.74Å; P387-M390 HydrophobicContact CB-CB 4.06Å; P387-M390 HydrophobicContact CG-CB 4.35Å; P387-M390 VanDerWaalsContact O-CB 3.24Å; P387-M390 WeakPolarHBondContact O-CB 3.46Å; P387-M390 PolarHBondContact O-N 2.97Å; P388-M390 PolarHBondContact O-N 3.12Å; M390-S392 PolarHBondContact O-N 2.74Å; M390-S393 PolarHBondContact O-N 3.48Å; M390-L394 HydrophobicContact CG-CD1 4.18Å; M390-L394 WeakPolarHBondContact O-CB 3.36Å; M390-L394 WeakPolarHBondContact O-CG 3.03Å; M390-L394 PolarHBondContact O-N 2.82Å; M390-L394 HydrophobicContact SD-CD1 4.38Å; M390-L394 HydrophobicContact SD-CG 4.22Å |
| 391 | V | 82.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | 174.3 | -178 | 0 | 0 | 0 | 0 | 110.5 | M366 L382 I386 P387 P388 L395 W420 | M366-V391 HydrophobicContact SD-CG1 4.34Å; L382-V391 HydrophobicContact CD2-CG2 3.87Å; I386-V391 HydrophobicContact CG2-CG2 3.83Å; P387-V391 PolarHBondContact O-N 3.01Å; P388-V391 PolarHBondContact O-N 3.18Å; V391-L395 HydrophobicContact CG1-CD1 4.1Å; V391-L395 WeakPolarHBondContact O-CB 3.43Å; V391-L395 WeakPolarHBondContact O-CG 3.22Å; V391-L395 PolarHBondContact O-N 3.22Å; V391-W420 HydrophobicContact CB-CD2 4.48Å; V391-W420 HydrophobicContact CB-CH2 3.94Å; V391-W420 HydrophobicContact CB-CZ2 3.75Å; V391-W420 HydrophobicContact CB-CZ3 4.34Å; V391-W420 HydrophobicContact CG1-CD2 3.76Å; V391-W420 HydrophobicContact CG1-CE3 3.86Å; V391-W420 HydrophobicContact CG1-CG 4.42Å; V391-W420 HydrophobicContact CG1-CH2 4.09Å; V391-W420 HydrophobicContact CG1-CZ2 3.97Å; V391-W420 HydrophobicContact CG1-CZ3 4.02Å; V391-W420 HydrophobicContact CG2-CH2 4.27Å |
| 392 | S | 84.8 | Confident | 78.9 | Confident | 46 Ų | 46 | 33.7 Ų | 33.7 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.5 | -39.2 | 176.1 | -52 | 0 | 0 | 0 | 0 | 112.5 | P388 E389 M390 L395 A396 W420 | P388-S392 WeakPolarHBondContact O-CB 3.25Å; P388-S392 PolarHBondContact O-N 2.86Å; P388-S392 VanDerWaalsContact O-N 3.1Å; P388-S392 PolarHBondContact O-OG 3.37Å; E389-S392 WeakPolarHBondContact O-CB 3.34Å; E389-S392 PolarHBondContact O-N 2.97Å; M390-S392 PolarHBondContact O-N 2.74Å; S392-L395 PolarHBondContact O-N 3.26Å; S392-A396 WeakPolarHBondContact O-CB 3.48Å; S392-A396 PolarHBondContact O-N 3.48Å; S392-W420 PolarHBondContact OG-NE1 2.91Å |
| 393 | S | 85 | Confident | 79.9 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -40.8 | 174.6 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | D344 E389 M390 L395 A396 G397 | D344-S393 WeakPolarHBondContact CA-O 3.43Å; E389-S393 PolarHBondContact O-N 3.5Å; E389-S393 PolarHBondContact O-OG 2.99Å; M390-S393 PolarHBondContact O-N 3.48Å; S393-L395 VanDerWaalsContact C-N 3.32Å; S393-L395 PolarHBondContact O-N 2.71Å; S393-A396 PolarHBondContact O-N 2.91Å; S393-G397 PolarHBondContact O-N 3.09Å |
| 394 | L | 86.7 | Confident | 80.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 172 | -75.6 | 167.1 | 0 | 0 | 0 | 110.9 | V343 M390 G397 L398 | V343-L394 HydrophobicContact CG1-CD2 3.7Å; V343-L394 HydrophobicContact CG1-CG 3.96Å; M390-L394 HydrophobicContact CG-CD1 4.18Å; M390-L394 WeakPolarHBondContact O-CB 3.36Å; M390-L394 WeakPolarHBondContact O-CG 3.03Å; M390-L394 PolarHBondContact O-N 2.82Å; M390-L394 HydrophobicContact SD-CD1 4.38Å; M390-L394 HydrophobicContact SD-CG 4.22Å; L394-G397 PolarHBondContact O-N 3.09Å; L394-L398 WeakPolarHBondContact O-CG 3.38Å; L394-L398 PolarHBondContact O-N 2.84Å |
| 395 | L | 88.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 174 | -76.7 | 168.6 | 0 | 0 | 0 | 112 | M366 V391 S392 S393 G397 L398 Q399 V413 I416 A417 W420 | M366-L395 HydrophobicContact CE-CD2 3.86Å; M366-L395 HydrophobicContact CE-CG 4.46Å; M366-L395 HydrophobicContact SD-CD2 3.91Å; M366-L395 HydrophobicContact SD-CG 3.91Å; V391-L395 HydrophobicContact CG1-CD1 4.1Å; V391-L395 WeakPolarHBondContact O-CB 3.43Å; V391-L395 WeakPolarHBondContact O-CG 3.22Å; V391-L395 PolarHBondContact O-N 3.22Å; S392-L395 PolarHBondContact O-N 3.26Å; S393-L395 VanDerWaalsContact C-N 3.32Å; S393-L395 PolarHBondContact O-N 2.71Å; L395-G397 VanDerWaalsContact C-N 3.3Å; L395-G397 PolarHBondContact O-N 3.47Å; L395-L398 PolarHBondContact O-N 3.35Å; L395-Q399 WeakPolarHBondContact O-CA 3.33Å; L395-Q399 WeakPolarHBondContact O-CB 3.46Å; L395-Q399 WeakPolarHBondContact O-CG 3.4Å; L395-Q399 PolarHBondContact O-N 2.66Å; L395-V413 HydrophobicContact CD2-CG1 4.42Å; L395-I416 HydrophobicContact CD1-CG2 4.23Å; L395-I416 HydrophobicContact CD2-CB 4.43Å; L395-I416 HydrophobicContact CD2-CG2 3.73Å; L395-A417 HydrophobicContact CD2-CB 4.38Å; L395-W420 HydrophobicContact CD1-CB 3.79Å; L395-W420 VanDerWaalsContact CD1-CD1 3.46Å; L395-W420 HydrophobicContact CD1-CD2 4.43Å; L395-W420 HydrophobicContact CD1-CG 3.62Å |
| 396 | A | 87.7 | Confident | 82.5 | Confident | 43 Ų | 43 | 31.5 Ų | 31.5 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -35.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | D344 S392 S393 Q399 S400 | D344-A396 HydrophobicContact CB-CB 4.11Å; S392-A396 WeakPolarHBondContact O-CB 3.48Å; S392-A396 PolarHBondContact O-N 3.48Å; S393-A396 PolarHBondContact O-N 2.91Å; A396-Q399 CarbonylContact O-C 3.5Å; A396-Q399 PolarHBondContact O-N 3.19Å; A396-S400 PolarHBondContact O-N 2.93Å; A396-S400 PolarHBondContact O-OG 3.24Å; A396-S400 VanDerWaalsContact O-OG 3.12Å |
| 397 | G | 86.2 | Confident | 83 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.9 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D344 S393 L394 L395 Q399 S400 S401 | D344-G397 WeakPolarHBondContact O-CA 3.49Å; S393-G397 PolarHBondContact O-N 3.09Å; L394-G397 PolarHBondContact O-N 3.09Å; L395-G397 VanDerWaalsContact C-N 3.3Å; L395-G397 PolarHBondContact O-N 3.47Å; G397-Q399 VanDerWaalsContact C-N 3.27Å; G397-Q399 PolarHBondContact O-N 3.35Å; G397-S400 WeakPolarHBondContact CA-OG 3.37Å; G397-S400 PolarHBondContact O-N 3.17Å; G397-S400 PolarHBondContact O-OG 3.34Å; G397-S401 PolarHBondContact O-OG 2.96Å |
| 398 | L | 89.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 168.8 | -65.2 | 173.2 | 0 | 0 | 0 | 111.1 | T347 V351 C362 I363 M366 L394 L395 S400 S401 V413 F622 | T347-L398 HydrophobicContact CG2-CD2 4.09Å; T347-L398 HydrophobicContact CG2-CG 4.09Å; V351-L398 HydrophobicContact CG2-CD2 4.2Å; C362-L398 HydrophobicContact CB-CD1 3.86Å; C362-L398 HydrophobicContact CB-CD2 4.07Å; C362-L398 HydrophobicContact CB-CG 4.37Å; I363-L398 HydrophobicContact CG1-CD1 4.48Å; M366-L398 HydrophobicContact CE-CD1 3.51Å; L394-L398 WeakPolarHBondContact O-CG 3.38Å; L394-L398 PolarHBondContact O-N 2.84Å; L395-L398 PolarHBondContact O-N 3.35Å; L398-S400 PolarHBondContact O-N 3.18Å; L398-S401 PolarHBondContact O-N 3.13Å; L398-V413 HydrophobicContact CB-CG1 3.96Å; L398-V413 HydrophobicContact CB-CG2 4.08Å; L398-V413 HydrophobicContact CD1-CG2 4.24Å; L398-F622 WeakPolarHBondContact O-CZ 3.35Å |
| 399 | Q | 88.4 | Confident | 83.7 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 13.8 | 175.1 | -66.5 | -175.2 | -88 | 0 | 0 | 114.4 | L395 A396 G397 V413 F622 I626 | L395-Q399 WeakPolarHBondContact O-CA 3.33Å; L395-Q399 WeakPolarHBondContact O-CB 3.46Å; L395-Q399 WeakPolarHBondContact O-CG 3.4Å; L395-Q399 PolarHBondContact O-N 2.66Å; A396-Q399 CarbonylContact O-C 3.5Å; A396-Q399 PolarHBondContact O-N 3.19Å; G397-Q399 VanDerWaalsContact C-N 3.27Å; G397-Q399 PolarHBondContact O-N 3.35Å; Q399-V413 HydrophobicContact CG-CG1 3.79Å; Q399-F622 VanDerWaalsContact CA-CE2 3.49Å; Q399-F622 HydrophobicContact CB-CE2 4.24Å; Q399-F622 HydrophobicContact CB-CZ 4.42Å; Q399-F622 WeakPolarHBondContact O-CE1 3.02Å; Q399-F622 WeakPolarHBondContact O-CZ 3.44Å; Q399-I626 VanDerWaalsContact O-CD1 3.32Å; Q399-I626 WeakPolarHBondContact O-CD1 3.14Å; Q399-I626 WeakPolarHBondContact O-CG1 3.39Å |
| 400 | S | 85.4 | Confident | 84 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 33% | 0.329 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 5.2 | 161.7 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | H348 A396 G397 L398 F622 | H348-S400 PolarHBondContact CE1-O 3.05Å; H348-S400 VanDerWaalsContact CE1-O 3.29Å; H348-S400 PolarHBondContact ND1-O 3.41Å; A396-S400 PolarHBondContact O-N 2.93Å; A396-S400 PolarHBondContact O-OG 3.24Å; A396-S400 VanDerWaalsContact O-OG 3.12Å; G397-S400 WeakPolarHBondContact CA-OG 3.37Å; G397-S400 PolarHBondContact O-N 3.17Å; G397-S400 PolarHBondContact O-OG 3.34Å; L398-S400 PolarHBondContact O-N 3.18Å; S400-F622 VanDerWaalsContact C-CE1 3.46Å |
| 401 | S | 86.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -121.6 | 4.5 | -169.2 | -54.3 | 0 | 0 | 0 | 0 | 116.8 | H348 G397 L398 A403 L404 | H348-S401 WeakPolarHBondContact CA-OG 3.23Å; H348-S401 PolarHBondContact ND1-OG 3.05Å; H348-S401 VanDerWaalsContact ND1-OG 3.12Å; G397-S401 PolarHBondContact O-OG 2.96Å; L398-S401 PolarHBondContact O-N 3.13Å; S401-A403 PolarHBondContact O-N 3.32Å; S401-L404 VanDerWaalsContact O-CB 3.31Å; S401-L404 WeakPolarHBondContact O-CB 3.41Å; S401-L404 PolarHBondContact O-N 3.44Å | ||
| 402 | S | 81.7 | Confident | 84.2 | Confident | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -60.4 | -26.8 | -169.1 | 78.9 | 0 | 0 | 0 | 0 | 115.7 | L404 L405 N410 F622 | S402-L404 PolarHBondContact O-N 2.93Å; S402-L404 VanDerWaalsContact O-N 3.1Å; S402-L405 PolarHBondContact O-N 3.47Å; S402-N410 WeakPolarHBondContact CA-OD1 3.21Å; S402-N410 WeakPolarHBondContact CB-OD1 3.32Å; S402-N410 PolarHBondContact O-ND2 2.87Å; S402-F622 VanDerWaalsContact CB-CD2 3.48Å; S402-F622 VanDerWaalsContact CB-CE2 3.45Å; S402-F622 VanDerWaalsContact CB-CG 3.48Å; S402-F622 VanDerWaalsContact CB-CZ 3.45Å; S402-F622 WeakPolarHBondContact OG-CB 3.06Å; S402-F622 WeakPolarHBondContact OG-CD1 3.36Å; S402-F622 WeakPolarHBondContact OG-CD2 3.41Å; S402-F622 WeakPolarHBondContact OG-CE1 3.49Å; S402-F622 WeakPolarHBondContact OG-CG 2.87Å |
| 403 | A | 80 | Confident | 84.2 | Confident | 87 Ų | 87 | 38 Ų | 38 | 72% | 0.719 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -62.4 | -14.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S401 | S401-A403 PolarHBondContact O-N 3.32Š|
| 404 | L | 78.2 | Confident | 84.1 | Confident | 80 Ų | 80 | 40 Ų | 40 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -105.9 | -4.5 | 177.7 | -50.5 | 168.8 | 0 | 0 | 0 | 112.6 | V351 K352 S401 S402 | V351-L404 HydrophobicContact CG1-CB 3.97Å; V351-L404 HydrophobicContact CG1-CD1 4.14Å; K352-L404 HydrophobicContact CB-CD1 3.91Å; K352-L404 HydrophobicContact CG-CD1 4.44Å; S401-L404 VanDerWaalsContact O-CB 3.31Å; S401-L404 WeakPolarHBondContact O-CB 3.41Å; S401-L404 PolarHBondContact O-N 3.44Å; S402-L404 PolarHBondContact O-N 2.93Å; S402-L404 VanDerWaalsContact O-N 3.1Å |
| 405 | L | 83.3 | Confident | 83.9 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -115.9 | 142.2 | -173.5 | -59.1 | 178.2 | 0 | 0 | 0 | 110.9 | V351 E356 S402 I409 N410 | V351-L405 HydrophobicContact CG1-CD2 3.55Å; V351-L405 HydrophobicContact CG1-CG 4.1Å; E356-L405 HydrophobicContact CB-CD2 4Å; S402-L405 PolarHBondContact O-N 3.47Å; L405-I409 HydrophobicContact CB-CB 4.41Å; L405-I409 HydrophobicContact CB-CG2 4.01Å; L405-I409 HydrophobicContact CD1-CG2 3.96Å; L405-I409 HydrophobicContact CD2-CG2 4.13Å; L405-I409 HydrophobicContact CG-CG2 4.25Å; L405-N410 WeakPolarHBondContact CB-OD1 3.33Å; L405-N410 PolarHBondContact O-ND2 2.73Å |
| 406 | S | 81.4 | Confident | 83.7 | Confident | 43 Ų | 43 | 43 Ų | 43 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | trans | -66.4 | 156.6 | 174.7 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | E356 Q408 I409 N410 | E356-S406 WeakPolarHBondContact OE2-CB 2.97Å; E356-S406 PolarHBondContact OE2-N 3.26Å; E356-S406 PolarHBondContact OE2-OG 3.38Å; S406-Q408 PolarHBondContact O-N 3.24Å; S406-Q408 VanDerWaalsContact O-N 3.16Å; S406-I409 PolarHBondContact O-N 3.45Å; S406-N410 PolarHBondContact O-N 2.81Å; S406-N410 PolarHBondContact O-ND2 3.39Å | ||
| 407 | A | 79.2 | Confident | 83.4 | Confident | 78 Ų | 78 | 41 Ų | 41 | 65% | 0.645 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.7 | -29.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S411 | A407-S411 VanDerWaalsContact O-CB 3.32Å; A407-S411 WeakPolarHBondContact O-CB 3.44Å; A407-S411 PolarHBondContact O-N 2.83Å |
| 408 | Q | 79.3 | Confident | 83.1 | Confident | 168 Ų | 168 | 44.9 Ų | 44.9 | 79% | 0.785 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.4 | -43.5 | 173.6 | -71.8 | -175.8 | -27.4 | 0 | 0 | 111.8 | S406 S411 A412 | S406-Q408 PolarHBondContact O-N 3.24Å; S406-Q408 VanDerWaalsContact O-N 3.16Å; Q408-S411 PolarHBondContact O-N 3.37Å; Q408-A412 PolarHBondContact O-N 3.35Å |
| 409 | I | 83.5 | Confident | 82.4 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 177.8 | -69.5 | 175.3 | 0 | 0 | 0 | 110 | E356 Q360 I363 L405 S406 S411 A412 V413 | E356-I409 HydrophobicContact CB-CD1 3.75Å; E356-I409 HydrophobicContact CG-CD1 4.01Å; E356-I409 WeakPolarHBondContact OE2-CD1 3.43Å; Q360-I409 HydrophobicContact CB-CD1 4.24Å; I363-I409 HydrophobicContact CD1-CB 4.48Å; I363-I409 HydrophobicContact CD1-CG2 3.66Å; L405-I409 HydrophobicContact CB-CB 4.41Å; L405-I409 HydrophobicContact CB-CG2 4.01Å; L405-I409 HydrophobicContact CD1-CG2 3.96Å; L405-I409 HydrophobicContact CD2-CG2 4.13Å; L405-I409 HydrophobicContact CG-CG2 4.25Å; S406-I409 PolarHBondContact O-N 3.45Å; I409-S411 VanDerWaalsContact C-N 3.34Å; I409-S411 PolarHBondContact O-N 2.8Å; I409-A412 CarbonylContact O-C 3.59Å; I409-A412 WeakPolarHBondContact O-CA 2.98Å; I409-A412 WeakPolarHBondContact O-CB 3.44Å; I409-A412 PolarHBondContact O-N 2.65Å; I409-V413 HydrophobicContact CG2-CG2 4.48Å; I409-V413 WeakPolarHBondContact O-CG2 3.12Å; I409-V413 PolarHBondContact O-N 3.22Å |
| 410 | N | 85.6 | Confident | 82 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.6 | -68.1 | -38 | 0 | 0 | 0 | 112.5 | S402 L405 S406 A412 V413 E414 | S402-N410 WeakPolarHBondContact CA-OD1 3.21Å; S402-N410 WeakPolarHBondContact CB-OD1 3.32Å; S402-N410 PolarHBondContact O-ND2 2.87Å; L405-N410 WeakPolarHBondContact CB-OD1 3.33Å; L405-N410 PolarHBondContact O-ND2 2.73Å; S406-N410 PolarHBondContact O-N 2.81Å; S406-N410 PolarHBondContact O-ND2 3.39Å; N410-A412 VanDerWaalsContact C-N 3.3Å; N410-A412 PolarHBondContact O-N 2.83Å; N410-V413 PolarHBondContact O-N 3.39Å; N410-E414 PolarHBondContact O-N 3.18Å |
| 411 | S | 83.1 | Confident | 81.4 | Confident | 64 Ų | 64 | 50 Ų | 50 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | A407 Q408 I409 S415 | A407-S411 VanDerWaalsContact O-CB 3.32Å; A407-S411 WeakPolarHBondContact O-CB 3.44Å; A407-S411 PolarHBondContact O-N 2.83Å; Q408-S411 PolarHBondContact O-N 3.37Å; I409-S411 VanDerWaalsContact C-N 3.34Å; I409-S411 PolarHBondContact O-N 2.8Å; S411-S415 WeakPolarHBondContact O-CB 3.43Å; S411-S415 PolarHBondContact O-N 3.31Å |
| 412 | A | 84.2 | Confident | 80.5 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72 | -37.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I363 Q408 I409 N410 S415 I416 | I363-A412 HydrophobicContact CD1-CB 4Å; I363-A412 HydrophobicContact CG2-CB 4.45Å; Q408-A412 PolarHBondContact O-N 3.35Å; I409-A412 CarbonylContact O-C 3.59Å; I409-A412 WeakPolarHBondContact O-CA 2.98Å; I409-A412 WeakPolarHBondContact O-CB 3.44Å; I409-A412 PolarHBondContact O-N 2.65Å; N410-A412 VanDerWaalsContact C-N 3.3Å; N410-A412 PolarHBondContact O-N 2.83Å; A412-S415 PolarHBondContact O-N 2.9Å; A412-I416 WeakPolarHBondContact O-CB 3.37Å; A412-I416 WeakPolarHBondContact O-CG1 3.48Å; A412-I416 PolarHBondContact O-N 3.01Å |
| 413 | V | 85.5 | Confident | 79.6 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 171.4 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | I363 L395 L398 Q399 I409 N410 S415 I416 A417 | I363-V413 HydrophobicContact CD1-CG2 3.8Å; I363-V413 HydrophobicContact CG1-CG2 4.18Å; L395-V413 HydrophobicContact CD2-CG1 4.42Å; L398-V413 HydrophobicContact CB-CG1 3.96Å; L398-V413 HydrophobicContact CB-CG2 4.08Å; L398-V413 HydrophobicContact CD1-CG2 4.24Å; Q399-V413 HydrophobicContact CG-CG1 3.79Å; I409-V413 HydrophobicContact CG2-CG2 4.48Å; I409-V413 WeakPolarHBondContact O-CG2 3.12Å; I409-V413 PolarHBondContact O-N 3.22Å; N410-V413 PolarHBondContact O-N 3.39Å; V413-S415 PolarHBondContact O-N 3.19Å; V413-I416 PolarHBondContact O-N 3.37Å; V413-A417 VanDerWaalsContact O-CB 3.28Å; V413-A417 WeakPolarHBondContact O-CB 3.43Å; V413-A417 PolarHBondContact O-N 2.91Å |
| 414 | E | 83.9 | Confident | 78.8 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.5 | -77.7 | 178.1 | -141.8 | 0 | 0 | 112.6 | N410 I416 A417 T418 Q619 | N410-E414 PolarHBondContact O-N 3.18Å; E414-I416 VanDerWaalsContact C-N 3.34Å; E414-I416 PolarHBondContact O-N 3.26Å; E414-A417 PolarHBondContact O-N 3.47Å; E414-T418 WeakPolarHBondContact O-CB 3.48Å; E414-T418 WeakPolarHBondContact O-CG2 3.13Å; E414-T418 PolarHBondContact O-N 2.88Å; E414-T418 PolarHBondContact O-OG1 3.04Å; E414-Q619 PolarHBondContact OE1-NE2 2.99Å; E414-Q619 PolarHBondContact OE2-NE2 3.45Å |
| 415 | S | 82.5 | Confident | 77.2 | Confident | 57 Ų | 57 | 56 Ų | 56 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 175.2 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | S411 A412 V413 T418 K419 | S411-S415 WeakPolarHBondContact O-CB 3.43Å; S411-S415 PolarHBondContact O-N 3.31Å; A412-S415 PolarHBondContact O-N 2.9Å; V413-S415 PolarHBondContact O-N 3.19Å; S415-T418 WeakPolarHBondContact CA-OG1 3.28Å; S415-T418 PolarHBondContact O-OG1 2.93Å; S415-T418 VanDerWaalsContact O-OG1 3.11Å; S415-K419 VanDerWaalsContact O-CG 3.3Å; S415-K419 WeakPolarHBondContact O-CG 2.98Å; S415-K419 PolarHBondContact O-N 2.94Å |
| 416 | I | 82.6 | Confident | 74.9 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.6 | -46.2 | 173.3 | -72 | 176.2 | 0 | 0 | 0 | 110.6 | I363 M366 K367 F371 L395 A412 V413 E414 T418 K419 W420 | I363-I416 HydrophobicContact CB-CD1 4.36Å; I363-I416 HydrophobicContact CG1-CD1 4.37Å; I363-I416 HydrophobicContact CG2-CD1 3.91Å; M366-I416 HydrophobicContact CB-CD1 4.49Å; M366-I416 HydrophobicContact CE-CD1 4.26Å; M366-I416 HydrophobicContact CE-CG2 4.16Å; M366-I416 HydrophobicContact SD-CG2 4.12Å; K367-I416 HydrophobicContact CG-CD1 4.45Å; F371-I416 HydrophobicContact CE2-CG1 4.34Å; F371-I416 HydrophobicContact CE2-CG2 3.67Å; F371-I416 HydrophobicContact CZ-CG2 3.77Å; L395-I416 HydrophobicContact CD1-CG2 4.23Å; L395-I416 HydrophobicContact CD2-CB 4.43Å; L395-I416 HydrophobicContact CD2-CG2 3.73Å; A412-I416 WeakPolarHBondContact O-CB 3.37Å; A412-I416 WeakPolarHBondContact O-CG1 3.48Å; A412-I416 PolarHBondContact O-N 3.01Å; V413-I416 PolarHBondContact O-N 3.37Å; E414-I416 VanDerWaalsContact C-N 3.34Å; E414-I416 PolarHBondContact O-N 3.26Å; I416-T418 VanDerWaalsContact C-N 3.32Å; I416-T418 PolarHBondContact O-N 2.81Å; I416-K419 PolarHBondContact O-N 3.31Å; I416-W420 VanDerWaalsContact O-CB 3.26Å; I416-W420 WeakPolarHBondContact O-CB 3.04Å; I416-W420 PolarHBondContact O-N 2.83Å |
| 417 | A | 82.6 | Confident | 72.4 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -32.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L395 V413 E414 R421 | L395-A417 HydrophobicContact CD2-CB 4.38Å; V413-A417 VanDerWaalsContact O-CB 3.28Å; V413-A417 WeakPolarHBondContact O-CB 3.43Å; V413-A417 PolarHBondContact O-N 2.91Å; E414-A417 PolarHBondContact O-N 3.47Å; A417-R421 WeakPolarHBondContact O-CB 3.39Å; A417-R421 VanDerWaalsContact O-CG 3.22Å; A417-R421 WeakPolarHBondContact O-CG 3.34Å; A417-R421 PolarHBondContact O-N 3.24Å |
| 418 | T | 78.5 | Confident | 69.9 | Low | 81 Ų | 81 | 66.2 Ų | 66.2 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71 | -44.4 | 173.6 | 44.9 | 0 | 0 | 0 | 0 | 111.9 | E414 S415 I416 W420 A422 | E414-T418 WeakPolarHBondContact O-CB 3.48Å; E414-T418 WeakPolarHBondContact O-CG2 3.13Å; E414-T418 PolarHBondContact O-N 2.88Å; E414-T418 PolarHBondContact O-OG1 3.04Å; S415-T418 WeakPolarHBondContact CA-OG1 3.28Å; S415-T418 PolarHBondContact O-OG1 2.93Å; S415-T418 VanDerWaalsContact O-OG1 3.11Å; I416-T418 VanDerWaalsContact C-N 3.32Å; I416-T418 PolarHBondContact O-N 2.81Å; T418-W420 VanDerWaalsContact C-N 3.34Å; T418-W420 PolarHBondContact O-N 2.91Å; T418-A422 WeakPolarHBondContact O-CB 3.46Å; T418-A422 PolarHBondContact O-N 3.47Å |
| 419 | K | 75.2 | Confident | 67.3 | Low | 92 Ų | 92 | 63.7 Ų | 63.7 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 171.8 | -72.6 | 178.2 | -178.5 | -170.3 | 0 | 112.5 | F371 I380 S415 I416 S423 | F371-K419 HydrophobicContact CE1-CB 3.97Å; I380-K419 HydrophobicContact CD1-CB 4.3Å; I380-K419 WeakPolarHBondContact CD1-O 3.4Å; S415-K419 VanDerWaalsContact O-CG 3.3Å; S415-K419 WeakPolarHBondContact O-CG 2.98Å; S415-K419 PolarHBondContact O-N 2.94Å; I416-K419 PolarHBondContact O-N 3.31Å; K419-S423 PolarHBondContact O-N 3.02Å |
| 420 | W | 79.5 | Confident | 64.6 | Low | 13 Ų | 13 | 69.1 Ų | 69.1 | 5% | 0.049 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.4 | -56.7 | 177.2 | -175.2 | -117.5 | 0 | 0 | 0 | 111.1 | L382 P388 V391 S392 L395 I416 T418 A422 S423 I424 | L382-W420 HydrophobicContact CD1-CH2 4Å; L382-W420 HydrophobicContact CD1-CZ3 3.87Å; L382-W420 HydrophobicContact CD2-CH2 3.91Å; L382-W420 HydrophobicContact CD2-CZ3 4.23Å; L382-W420 HydrophobicContact CG-CH2 4.37Å; L382-W420 HydrophobicContact CG-CZ3 4.26Å; P388-W420 HydrophobicContact CB-CH2 3.84Å; P388-W420 HydrophobicContact CB-CZ2 3.86Å; P388-W420 WeakPolarHBondContact O-CZ2 3.23Å; V391-W420 HydrophobicContact CB-CD2 4.48Å; V391-W420 HydrophobicContact CB-CH2 3.94Å; V391-W420 HydrophobicContact CB-CZ2 3.75Å; V391-W420 HydrophobicContact CB-CZ3 4.34Å; V391-W420 HydrophobicContact CG1-CD2 3.76Å; V391-W420 HydrophobicContact CG1-CE3 3.86Å; V391-W420 HydrophobicContact CG1-CG 4.42Å; V391-W420 HydrophobicContact CG1-CH2 4.09Å; V391-W420 HydrophobicContact CG1-CZ2 3.97Å; V391-W420 HydrophobicContact CG1-CZ3 4.02Å; V391-W420 HydrophobicContact CG2-CH2 4.27Å; S392-W420 PolarHBondContact OG-NE1 2.91Å; L395-W420 HydrophobicContact CD1-CB 3.79Å; L395-W420 VanDerWaalsContact CD1-CD1 3.46Å; L395-W420 HydrophobicContact CD1-CD2 4.43Å; L395-W420 HydrophobicContact CD1-CG 3.62Å; I416-W420 VanDerWaalsContact O-CB 3.26Å; I416-W420 WeakPolarHBondContact O-CB 3.04Å; I416-W420 PolarHBondContact O-N 2.83Å; T418-W420 VanDerWaalsContact C-N 3.34Å; T418-W420 PolarHBondContact O-N 2.91Å; W420-A422 VanDerWaalsContact C-N 3.28Å; W420-A422 PolarHBondContact O-N 2.64Å; W420-S423 PolarHBondContact O-N 2.85Å; W420-I424 HydrophobicContact CG-CD1 4.35Å; W420-I424 HydrophobicContact CZ2-CD1 4.45Å; W420-I424 WeakPolarHBondContact O-CG1 3.41Å; W420-I424 PolarHBondContact O-N 3.09Å |
| 421 | R | 74 | Confident | 61.7 | Low | 100 Ų | 100 | 75.5 Ų | 75.5 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -50.5 | -47.2 | 176.2 | -76.6 | 179.2 | -173.9 | 118.8 | -21.1 | 111.7 | A417 S423 I424 T425 D629 | A417-R421 WeakPolarHBondContact O-CB 3.39Å; A417-R421 VanDerWaalsContact O-CG 3.22Å; A417-R421 WeakPolarHBondContact O-CG 3.34Å; A417-R421 PolarHBondContact O-N 3.24Å; R421-S423 PolarHBondContact O-N 3.13Å; R421-S423 VanDerWaalsContact O-N 3.15Å; R421-I424 PolarHBondContact O-N 3.27Å; R421-I424 VanDerWaalsContact O-N 3.09Å; R421-T425 PolarHBondContact O-N 2.96Å; R421-T425 PolarHBondContact O-OG1 3.33Å; R421-T425 VanDerWaalsContact O-OG1 3.1Å; R421-D629 IonicContact NH2-OD2 2.79Å; R421-D629 PolarHBondContact NH2-OD2 3.37Å |
| 422 | A | 66 | Low | 59.2 | Low | 69 Ų | 69 | 78 Ų | 78 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.1 | -21.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T418 W420 | T418-A422 WeakPolarHBondContact O-CB 3.46Å; T418-A422 PolarHBondContact O-N 3.47Å; W420-A422 VanDerWaalsContact C-N 3.28Å; W420-A422 PolarHBondContact O-N 2.64Å |
| 423 | S | 64.3 | Low | 56.4 | Low | 61 Ų | 61 | 83.3 Ų | 83.3 | 43% | 0.427 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -94 | -14.4 | 176.2 | -171.4 | 0 | 0 | 0 | 0 | 114.4 | K419 W420 R421 | K419-S423 PolarHBondContact O-N 3.02Å; W420-S423 PolarHBondContact O-N 2.85Å; R421-S423 PolarHBondContact O-N 3.13Å; R421-S423 VanDerWaalsContact O-N 3.15Å |
| 424 | I | 62.3 | Low | 53.8 | Low | 96 Ų | 96 | 89 Ų | 89 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -100.5 | -20.9 | 174.5 | 9.1 | 169.8 | 0 | 0 | 0 | 112.6 | W420 R421 P426 | W420-I424 HydrophobicContact CG-CD1 4.35Å; W420-I424 HydrophobicContact CZ2-CD1 4.45Å; W420-I424 WeakPolarHBondContact O-CG1 3.41Å; W420-I424 PolarHBondContact O-N 3.09Å; R421-I424 PolarHBondContact O-N 3.27Å; R421-I424 VanDerWaalsContact O-N 3.09Å; I424-P426 WeakPolarHBondContact O-CD 2.97Å |
| 425 | T | 44.6 | Very low | 51.2 | Low | 86 Ų | 86 | 90.7 Ų | 90.7 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -78.7 | 115.7 | 170.7 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | R421 S427 | R421-T425 PolarHBondContact O-N 2.96Å; R421-T425 PolarHBondContact O-OG1 3.33Å; R421-T425 VanDerWaalsContact O-OG1 3.1Å; T425-S427 PolarHBondContact O-N 3.45Å |
| 426 | P | 35.8 | Very low | 48.7 | Very low | 112 Ų | 112 | 93.4 Ų | 93.4 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | trans | -67 | 128.3 | 170.2 | 28.5 | -33.4 | 0 | 0 | 0 | 109.8 | I424 V428 | I424-P426 WeakPolarHBondContact O-CD 2.97Å; P426-V428 PolarHBondContact O-N 3.32Å | ||
| 427 | S | 28.5 | Very low | 46.4 | Very low | 109 Ų | 109 | 98.2 Ų | 98.2 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | trans | -65.5 | 95 | -173 | -55.6 | 0 | 0 | 0 | 0 | 113.4 | T425 V429 | T425-S427 PolarHBondContact O-N 3.45Å; S427-V429 PolarHBondContact O-N 3.48Å; S427-V429 VanDerWaalsContact O-N 3.14Å | ||
| 428 | V | 26.5 | Very low | 43.9 | Very low | 128 Ų | 128 | 106.3 Ų | 106.3 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | trans | -74.8 | 96.7 | 159.7 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | P426 V430 | P426-V428 PolarHBondContact O-N 3.32Å; V428-V430 HydrophobicContact CG1-CG2 4.27Å; V428-V430 PolarHBondContact O-N 2.54Å | ||
| 429 | V | 25.5 | Very low | 41.6 | Very low | 116 Ų | 116 | 107.4 Ų | 107.4 | 70% | 0.703 | 64% | 0.638 | S | S | * | * | trans | -69.7 | 110.1 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | S427 E431 | S427-V429 PolarHBondContact O-N 3.48Å; S427-V429 VanDerWaalsContact O-N 3.14Å; V429-E431 HydrophobicContact CG1-CG 4.01Å | ||
| 430 | V | 26.3 | Very low | 39.4 | Very low | 124 Ų | 124 | 112.1 Ų | 112.1 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -105.2 | 94.5 | 169.3 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | V428 | V428-V430 HydrophobicContact CG1-CG2 4.27Å; V428-V430 PolarHBondContact O-N 2.54Å | ||
| 431 | E | 25.5 | Very low | 36.9 | Very low | 159 Ų | 159 | 115.7 Ų | 115.7 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -66.2 | 133.1 | 175.9 | -67.4 | -172.9 | 121.1 | 0 | 0 | 111 | V429 V433 | V429-E431 HydrophobicContact CG1-CG 4.01Å; E431-V433 PolarHBondContact O-N 3.48Å; E431-V433 VanDerWaalsContact O-N 3.14Å | ||
| 432 | P | 28.6 | Very low | 34.9 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | trans | -70.4 | 108.8 | 169 | 28.7 | -32.2 | 0 | 0 | 0 | 109.5 | V434 | P432-V434 PolarHBondContact O-N 3.5Š| ||
| 433 | V | 26.8 | Very low | 33 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | trans | -64.3 | 103.8 | -175 | -180 | 0 | 0 | 0 | 0 | 111.7 | E431 | E431-V433 PolarHBondContact O-N 3.48Å; E431-V433 VanDerWaalsContact O-N 3.14Å | ||
| 434 | V | 30.5 | Very low | 31.5 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -91 | 133.8 | 167.6 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | P432 | P432-V434 PolarHBondContact O-N 3.5Š| ||
| 435 | P | 29.4 | Very low | 29.9 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -71 | 134.9 | -177 | 26.9 | -34.4 | 0 | 0 | 0 | 113.2 | ||||
| 436 | P | 29.1 | Very low | 29 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -93.1 | -177.4 | 177.7 | 39 | -37.7 | 0 | 0 | 0 | 112.4 | ||||
| 437 | P | 35.3 | Very low | 28.9 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -134.4 | -178.4 | -40.2 | 36.5 | -21.1 | 0 | 0 | 0 | 112.4 | ||||
| 438 | L | 30.3 | Very low | 28.8 | Very low | 173 Ų | 173 | 127.2 Ų | 127.2 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -145.4 | 127.3 | 148.8 | -102.5 | 176 | 0 | 0 | 0 | 110.6 | ||||
| 439 | P | 30.7 | Very low | 29 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -113.4 | 152.9 | -167.1 | 40 | -34 | 0 | 0 | 0 | 116.6 | ||||
| 440 | Q | 28.8 | Very low | 29.2 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -161.5 | 113.1 | 149.8 | -102.9 | 154.3 | 48 | 0 | 0 | 106.9 | ||||
| 441 | A | 27 | Very low | 29.3 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | 70.2 | 127.6 | 89.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 442 | T | 31.4 | Very low | 29.7 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | cis | -154 | 136 | 28.4 | -26.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 443 | Q | 26.3 | Very low | 29.6 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | 26 | 139.2 | 152.2 | -67.7 | -179.6 | -25.8 | 0 | 0 | 124.7 | ||||
| 444 | P | 33.5 | Very low | 29.6 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -104.8 | 169.8 | 162.8 | 40.8 | -33.5 | 0 | 0 | 0 | 114.2 | ||||
| 445 | S | 27.4 | Very low | 29.5 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -157.3 | 160.5 | 165.2 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 446 | A | 26.8 | Very low | 29.4 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -108.1 | -156.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 447 | P | 32.5 | Very low | 29.1 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | cis | -133.8 | -176 | -33.9 | 36.6 | -19.4 | 0 | 0 | 0 | 114.5 | ||||
| 448 | S | 26.3 | Very low | 28.7 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 79.2 | 173.8 | 148.7 | 80.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 449 | P | 31.9 | Very low | 28.5 | Very low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | -136.2 | 162.2 | -90 | 39.6 | -22 | 0 | 0 | 0 | 116.2 | |||||
| 450 | F | 29.2 | Very low | 28.1 | Very low | 220 Ų | 220 | 133.6 Ų | 133.6 | 97% | 0.965 | 77% | 0.774 | S | S | * | * | trans | -159 | 150 | 149.3 | -109.9 | -73 | 0 | 0 | 0 | 113.8 | ||||
| 451 | M | 29.3 | Very low | 28.1 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | -96.3 | -176 | 179.7 | -98.5 | -157.6 | -53.7 | 0 | 0 | 112.2 | ||||
| 452 | P | 33 | Very low | 27.9 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -124.3 | -165.3 | -18.4 | 22.6 | 3.6 | 0 | 0 | 0 | 110.4 | ||||
| 453 | I | 26.9 | Very low | 27.6 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | cis | -159.5 | 124.5 | 45.2 | -79.1 | 178.7 | 0 | 0 | 0 | 111.2 | ||||
| 454 | T | 26.9 | Very low | 27.4 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | 40 | 140.8 | 152.1 | 65.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 455 | T | 27.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | cis | -170.4 | 131.1 | -13.6 | 24.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 456 | H | 27.2 | Very low | 27.1 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | 93.5 | 126.7 | 47.9 | -93.4 | -96 | 0 | 0 | 0 | 115.6 | ||||
| 457 | E | 23.7 | Very low | 26.9 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 59.4 | 140.2 | 149.6 | -78.2 | 140 | -156.1 | 0 | 0 | 121.1 | ||||
| 458 | A | 25.6 | Very low | 26.6 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | cis | 84.7 | 130.5 | 6.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 459 | N | 26.3 | Very low | 26.5 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | 80 | 164.6 | 159.5 | -62.1 | -32.4 | 0 | 0 | 0 | 121 | ||||
| 460 | V | 23.7 | Very low | 26.2 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | 73.9 | 159.7 | 167.7 | -109.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 461 | P | 27.7 | Very low | 26 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | -137.7 | -166.4 | -101.7 | 47.6 | -31.4 | 0 | 0 | 0 | 116.7 | |||||
| 462 | F | 23.5 | Very low | 25.8 | Very low | 193 Ų | 193 | 127 Ų | 127 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | 74.7 | 176.1 | 160.3 | -94 | -98.5 | 0 | 0 | 0 | 118.4 | ||||
| 463 | N | 23.9 | Very low | 25.5 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -56.8 | 155.5 | -164.6 | -65.5 | -41.7 | 0 | 0 | 0 | 117.3 | ||||
| 464 | V | 23.7 | Very low | 25.6 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -19.4 | 148.8 | 156.9 | -94.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 465 | P | 29.1 | Very low | 25.6 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | cis | -146.8 | -169.3 | 24.3 | 41.2 | -19.6 | 0 | 0 | 0 | 118 | ||||
| 466 | N | 24 | Very low | 25.7 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 66.2 | 123.4 | 148.7 | -85.4 | 3 | 0 | 0 | 0 | 125.2 | ||||
| 467 | F | 23.6 | Very low | 25.8 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 60% | 0.596 | 75% | 0.752 | S | S | * | * | trans | 52.2 | 107.7 | 134 | -82.9 | -102.7 | 0 | 0 | 0 | 124 | H491 A492 | F467-H491 AromaticContact CD1-CE1 3.4Å; F467-H491 WeakPolarHBondContact CD1-CE1 3.02Å; F467-H491 AromaticContact CD1-NE2 3.96Å; F467-H491 AromaticContact CE1-CE1 3.19Å; F467-H491 WeakPolarHBondContact CE1-CE1 3.28Å; F467-H491 AromaticContact CE1-ND1 3.32Å; F467-H491 VanDerWaalsContact CE1-ND1 3.32Å; F467-H491 WeakPolarHBondContact CE1-ND1 2.91Å; F467-H491 AromaticContact CE1-NE2 3.84Å; F467-H491 AromaticContact CZ-CE1 3.95Å; F467-H491 AromaticContact CZ-ND1 3.72Å; F467-A492 HydrophobicContact CZ-CB 4.3Å | ||
| 468 | A | 25.3 | Very low | 26 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | 51.5 | 137 | 121.6 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 469 | G | 25.3 | Very low | 26.2 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 159.3 | 136.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 470 | C | 25.6 | Very low | 26.3 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 65.3 | 141.3 | 160 | -60.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 471 | Q | 24.2 | Very low | 26.8 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | cis | 85.6 | 138 | 31 | -69.1 | -174.8 | -2.2 | 0 | 0 | 115 | ||||
| 472 | S | 25.3 | Very low | 26.8 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | cis | -165.8 | 156.9 | -8.4 | -169.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 473 | A | 27 | Very low | 27.1 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | 16.8 | 146.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 474 | V | 27.8 | Very low | 27.4 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -142.8 | 120.2 | 148 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 475 | I | 28.1 | Very low | 27.6 | Very low | 162 Ų | 162 | 118 Ų | 118 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | 27.4 | 127.9 | 144.8 | -47.7 | 171.7 | 0 | 0 | 0 | 118.3 | ||||
| 476 | G | 29.2 | Very low | 27.6 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | 170.5 | -164.9 | 10.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 477 | S | 28.9 | Very low | 27.6 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | cis | -177.1 | 141.6 | -11.7 | 48.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 478 | A | 28.3 | Very low | 27.8 | Very low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 71.9 | 145 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 479 | F | 29.8 | Very low | 27.7 | Very low | 214 Ų | 214 | 126 Ų | 126 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | cis | -125.9 | 162.7 | 0.2 | -84.2 | -89.5 | 0 | 0 | 0 | 111.8 | ||||
| 480 | G | 28.5 | Very low | 28 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -110.3 | -142.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 481 | P | 33.4 | Very low | 28 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | cis | -143.9 | -172.6 | 9.8 | 42.7 | -22.8 | 0 | 0 | 0 | 117.4 | ||||
| 482 | V | 28.6 | Very low | 28 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | 79.6 | 127.3 | 161.7 | 171.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 483 | M | 28.8 | Very low | 28.1 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | cis | -150.1 | 164.6 | -19.7 | -94.7 | -56 | -94.7 | 0 | 0 | 109.2 | ||||
| 484 | P | 29.9 | Very low | 27.9 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -139.8 | -168.5 | -146.6 | 45.4 | -27.6 | 0 | 0 | 0 | 116.5 | ||||
| 485 | G | 27.8 | Very low | 28 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 126.5 | 155.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 486 | T | 29.2 | Very low | 27.9 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | cis | -162.7 | 120.6 | -9.6 | 4.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 487 | M | 25.7 | Very low | 27.8 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | 81.1 | 147 | 94.3 | -86 | -163.3 | 177.1 | 0 | 0 | 117.8 | |||||
| 488 | V | 26.3 | Very low | 27.7 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 72.4 | 140.6 | 152.2 | 160.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 489 | R | 24.4 | Very low | 27.7 | Very low | 209 Ų | 209 | 132.7 Ų | 132.7 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | cis | 172.5 | 148.7 | -9 | -176.8 | -179.1 | -160.8 | 169.1 | 3.8 | 104.2 | ||||
| 490 | P | 31.3 | Very low | 27.5 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | trans | -85.2 | 158.4 | 179.1 | 35.2 | -36.1 | 0 | 0 | 0 | 112.7 | ||||
| 491 | H | 25.1 | Very low | 27.6 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 55% | 0.546 | 74% | 0.744 | S | S | . | * | 177 | 119.1 | 129.5 | -98.6 | -67.1 | 0 | 0 | 0 | 114.2 | F467 | F467-H491 AromaticContact CD1-CE1 3.4Å; F467-H491 WeakPolarHBondContact CD1-CE1 3.02Å; F467-H491 AromaticContact CD1-NE2 3.96Å; F467-H491 AromaticContact CE1-CE1 3.19Å; F467-H491 WeakPolarHBondContact CE1-CE1 3.28Å; F467-H491 AromaticContact CE1-ND1 3.32Å; F467-H491 VanDerWaalsContact CE1-ND1 3.32Å; F467-H491 WeakPolarHBondContact CE1-ND1 2.91Å; F467-H491 AromaticContact CE1-NE2 3.84Å; F467-H491 AromaticContact CZ-CE1 3.95Å; F467-H491 AromaticContact CZ-ND1 3.72Å | |||
| 492 | A | 24.9 | Very low | 27.5 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | 58.4 | 160.8 | 127.3 | 0 | 0 | 0 | 0 | 0 | 123.9 | F467 | F467-A492 HydrophobicContact CZ-CB 4.3Š| |||
| 493 | V | 26.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 83.1 | 117.6 | 161.7 | -155.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 494 | E | 23.5 | Very low | 27.5 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -76.5 | -146 | 162.1 | -44.8 | 166.8 | 107.3 | 0 | 0 | 108.6 | ||||
| 495 | P | 29.1 | Very low | 27.4 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 51% | 0.513 | 75% | 0.752 | S | S | . | * | cis | -129.6 | -164.8 | -26.8 | 16.8 | 10.3 | 0 | 0 | 0 | 112.5 | ||||
| 496 | Y | 27.1 | Very low | 27.3 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | 88.6 | 100.8 | 156.9 | -55.1 | -55.5 | 0 | 0 | 0 | 120.6 | ||||
| 497 | A | 25.8 | Very low | 27.2 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | 58.2 | 116.3 | 115.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 498 | M | 26.5 | Very low | 27.5 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | 28.1 | 152.5 | 101.6 | -82.7 | -129.1 | -68.4 | 0 | 0 | 120.1 | |||||
| 499 | P | 29.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | -129.4 | -114.4 | 15.2 | 24 | 4 | 0 | 0 | 0 | 115 | ||||
| 500 | P | 26.5 | Very low | 27.9 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | -124.3 | 159.2 | -124.6 | 38.9 | -20.5 | 0 | 0 | 0 | 116 | |||||
| 501 | G | 29.4 | Very low | 27.7 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -167.4 | 109 | 175 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 502 | Q | 31.9 | Very low | 27.8 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | 42.9 | 94.7 | 138.1 | -64.3 | 174.6 | -17.8 | 0 | 0 | 120 | ||||
| 503 | Q | 25.6 | Very low | 28 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | 60.4 | 159 | 120.3 | -80.1 | -169.6 | -40.8 | 0 | 0 | 121.7 | |||||
| 504 | P | 31.3 | Very low | 28 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | -109.3 | -166.5 | -153.8 | 43.5 | -36.3 | 0 | 0 | 0 | 113.5 | ||||
| 505 | L | 27.7 | Very low | 28.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | trans | 151.6 | 151.5 | 143.5 | -79.3 | 160.2 | 0 | 0 | 0 | 109.7 | ||||
| 506 | S | 25.6 | Very low | 28.8 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 52% | 0.517 | 75% | 0.753 | S | S | . | * | cis | 178.8 | 146.2 | -47.4 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 507 | F | 27.4 | Very low | 29.1 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | 63.5 | 170.6 | 160.9 | -67.9 | -59 | 0 | 0 | 0 | 117.7 | ||||
| 508 | P | 31.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | cis | -106.7 | -179.4 | -4.9 | 40.1 | -28.8 | 0 | 0 | 0 | 112.8 | ||||
| 509 | G | 29.4 | Very low | 29.6 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | 131.3 | 132.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 510 | A | 30.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 158.6 | 151.9 | 138 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 511 | R | 26.4 | Very low | 29.9 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 61% | 0.611 | 78% | 0.775 | S | S | * | * | cis | -177.8 | 144.2 | -38.7 | -131.1 | -164.1 | -173.3 | 155.1 | 8.4 | 108.9 | D513 Y514 | R511-D513 WeakPolarHBondContact CD-OD1 3.12Å; R511-D513 WeakPolarHBondContact CD-OD2 3.26Å; R511-D513 VanDerWaalsContact CG-OD1 3.23Å; R511-D513 WeakPolarHBondContact CG-OD1 3.29Å; R511-D513 IonicContact NE-OD1 3.58Å; R511-D513 IonicContact NE-OD2 3.46Å; R511-Y514 PolarHBondContact NH2-OH 3.22Å | ||
| 512 | Y | 28 | Very low | 30 | Very low | 235 Ų | 235 | 134.5 Ų | 134.5 | 92% | 0.922 | 77% | 0.774 | S | S | * | * | trans | -176.9 | 150.8 | 145.2 | -89.1 | -58.2 | 0 | 0 | 0 | 109.6 | ||||
| 513 | D | 28.8 | Very low | 30.1 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 49% | 0.487 | 77% | 0.771 | S | S | . | * | -170.8 | 146.5 | -77.8 | -100.5 | 33.3 | 0 | 0 | 0 | 108.5 | R511 | R511-D513 WeakPolarHBondContact CD-OD1 3.12Å; R511-D513 WeakPolarHBondContact CD-OD2 3.26Å; R511-D513 VanDerWaalsContact CG-OD1 3.23Å; R511-D513 WeakPolarHBondContact CG-OD1 3.29Å; R511-D513 IonicContact NE-OD1 3.58Å; R511-D513 IonicContact NE-OD2 3.46Å | |||
| 514 | Y | 27.6 | Very low | 30.3 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -159.4 | -146.2 | -7.3 | -136.7 | -11.8 | 0 | 0 | 0 | 111.2 | R511 | R511-Y514 PolarHBondContact NH2-OH 3.22Š| ||
| 515 | P | 33.4 | Very low | 30.3 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | -121.2 | -129.2 | -161.4 | 42.7 | -19.8 | 0 | 0 | 0 | 111.8 | ||||
| 516 | P | 34.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | cis | -131.6 | -173.1 | -37.5 | 39 | -22.1 | 0 | 0 | 0 | 114.4 | ||||
| 517 | G | 34.4 | Very low | 30.6 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 130.3 | 152.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 518 | G | 33.1 | Very low | 31.1 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | trans | -156 | -177.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 519 | G | 30.3 | Very low | 31.1 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 140.5 | 131.2 | 165 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 520 | M | 33.2 | Very low | 31.1 | Very low | 200 Ų | 200 | 124.9 Ų | 124.9 | 99% | 0.985 | 76% | 0.759 | S | S | * | * | trans | 79.9 | 160.4 | 154.6 | -63.6 | -168.8 | 168.5 | 0 | 0 | 121.8 | ||||
| 521 | M | 27.7 | Very low | 31 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 86% | 0.862 | 75% | 0.754 | S | S | * | * | trans | -98.8 | -172.7 | -165.3 | -58.1 | -172 | -68.9 | 0 | 0 | 113.3 | ||||
| 522 | P | 33 | Very low | 31.1 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -136.4 | -161 | -30.1 | 25.3 | -0 | 0 | 0 | 0 | 113.5 | ||||
| 523 | M | 32.3 | Very low | 31.4 | Very low | 166 Ų | 166 | 113.3 Ų | 113.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 87.4 | 167.3 | 156.7 | -57.3 | -73.9 | -84.1 | 0 | 0 | 116.6 | ||||
| 524 | P | 31.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 113.9 Ų | 113.9 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -140.8 | 135.6 | -89.4 | 37.2 | -15.3 | 0 | 0 | 0 | 117.8 | |||||
| 525 | G | 29.9 | Very low | 30.9 | Very low | 87 Ų | 87 | 114.3 Ų | 114.3 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 73.4 | 164.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 526 | G | 28.9 | Very low | 30.5 | Very low | 66 Ų | 66 | 120.2 Ų | 120.2 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 179.2 | 149.9 | -4.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 527 | N | 30.7 | Very low | 30 | Very low | 170 Ų | 170 | 119.1 Ų | 119.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | 59.7 | 97.1 | -163.8 | -54.5 | 2.2 | 0 | 0 | 0 | 111.4 | ||||
| 528 | G | 38.2 | Very low | 29.4 | Very low | 47 Ų | 47 | 122.4 Ų | 122.4 | 49% | 0.485 | 77% | 0.768 | S | S | . | * | cis | 102.7 | 118.4 | 30.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | E1358 | G528-E1358 CarbonylContact C-O 3.37Å; G528-E1358 WeakPolarHBondContact CA-O 3.25Å | ||
| 529 | N | 31.8 | Very low | 28.8 | Very low | 110 Ų | 110 | 122 Ų | 122 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | trans | 69.9 | 165.2 | -134.7 | -153.8 | -8.7 | 0 | 0 | 0 | 112.5 | E1358 G1359 | N529-E1358 PolarHBondContact N-O 3.04Å; N529-E1358 VanDerWaalsContact N-O 3.08Å; N529-G1359 WeakPolarHBondContact CA-O 3.28Å; N529-G1359 WeakPolarHBondContact CB-O 3.15Å; N529-G1359 VanDerWaalsContact N-C 3.33Å; N529-G1359 PolarHBondContact N-O 3.2Å | ||
| 530 | L | 28.5 | Very low | 28.5 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 66.4 | 146.2 | -167.7 | -63.3 | 168.6 | 0 | 0 | 0 | 114.6 | G532 | L530-G532 PolarHBondContact O-N 2.76Å; L530-G532 VanDerWaalsContact O-N 3.13Å |
| 531 | G | 28.4 | Very low | 28.1 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | -26.8 | 105 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P533 | G531-P533 VanDerWaalsContact C-N 3.34Å; G531-P533 WeakPolarHBondContact O-CD 3.4Å; G531-P533 WeakPolarHBondContact O-CG 2.96Å; G531-P533 VanDerWaalsContact O-N 3.09Å | ||
| 532 | G | 29.2 | Very low | 28 | Very low | 61 Ų | 61 | 116.3 Ų | 116.3 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | -66 | -13.4 | -153.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | L530 P534 | L530-G532 PolarHBondContact O-N 2.76Å; L530-G532 VanDerWaalsContact O-N 3.13Å; G532-P534 VanDerWaalsContact C-CD 3.42Å; G532-P534 WeakPolarHBondContact O-CD 3.42Å | ||
| 533 | P | 33.8 | Very low | 27.5 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | -94.3 | 78.5 | -72.1 | 32.7 | -14.7 | 0 | 0 | 0 | 108.7 | G531 | G531-P533 VanDerWaalsContact C-N 3.34Å; G531-P533 WeakPolarHBondContact O-CD 3.4Å; G531-P533 WeakPolarHBondContact O-CG 2.96Å; G531-P533 VanDerWaalsContact O-N 3.09Å | |||
| 534 | P | 24.3 | Very low | 27.4 | Very low | 103 Ų | 103 | 117.1 Ų | 117.1 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -109.9 | 168.8 | -143.2 | 38.3 | -30.4 | 0 | 0 | 0 | 116.2 | G532 | G532-P534 VanDerWaalsContact C-CD 3.42Å; G532-P534 WeakPolarHBondContact O-CD 3.42Å | ||
| 535 | H | 22.4 | Very low | 27.4 | Very low | 180 Ų | 180 | 113.8 Ų | 113.8 | 83% | 0.833 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -31.2 | 149.9 | 178.1 | -63.8 | -86.6 | 0 | 0 | 0 | 119.8 | ||
| 536 | Y | 25.5 | Very low | 27.3 | Very low | 224 Ų | 224 | 116 Ų | 116 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 82.8 | 147.6 | 179.6 | -77.7 | -85.1 | 0 | 0 | 0 | 115.3 | ||
| 537 | P | 22.9 | Very low | 27.2 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | -135.8 | 151.1 | -127.9 | 35.3 | -14.5 | 0 | 0 | 0 | 115.2 | |||||
| 538 | N | 21.8 | Very low | 27.1 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | cis | 49.4 | 87.7 | 8.6 | -148.4 | 34.7 | 0 | 0 | 0 | 115.1 | ||||
| 539 | S | 21.4 | Very low | 26.6 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 56% | 0.559 | 69% | 0.691 | S | S | * | * | cis | -155.7 | -176.1 | 6.8 | -20.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 540 | S | 23.7 | Very low | 26.4 | Very low | 80 Ų | 80 | 124.6 Ų | 124.6 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | trans | 53 | 128 | 144 | 64.3 | 0 | 0 | 0 | 0 | 120.3 | I542 P543 | S540-I542 CarbonylContact O-C 3.44Å; S540-I542 PolarHBondContact O-N 2.89Å; S540-P543 WeakPolarHBondContact O-CD 3.18Å | ||
| 541 | Q | 23.4 | Very low | 26.3 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 66% | 0.659 | 69% | 0.694 | S | S | * | * | S | Bend | -63.6 | 114.6 | 124.2 | -78.9 | -130.7 | -38.7 | 0 | 0 | 105 | P543 G545 | Q541-P543 VanDerWaalsContact CG-O 3.26Å; Q541-P543 WeakPolarHBondContact CG-O 3.46Å; Q541-P543 PolarHBondContact NE2-O 2.79Å; Q541-P543 VanDerWaalsContact NE2-O 3.12Å; Q541-G545 VanDerWaalsContact NE2-C 3.32Å; Q541-G545 PolarHBondContact NE2-O 2.91Å | |
| 542 | I | 27.6 | Very low | 26.2 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 55% | 0.554 | 70% | 0.695 | S | S | * | * | cis | -109.7 | 124.9 | 35 | -40.9 | -174.8 | 0 | 0 | 0 | 110.2 | S540 Y544 | S540-I542 CarbonylContact O-C 3.44Å; S540-I542 PolarHBondContact O-N 2.89Å; I542-Y544 HydrophobicContact CG2-CD1 3.47Å; I542-Y544 VanDerWaalsContact CG2-CD1 3.47Å; I542-Y544 HydrophobicContact CG2-CD2 3.25Å; I542-Y544 HydrophobicContact CG2-CE1 3.61Å; I542-Y544 HydrophobicContact CG2-CE2 3.38Å; I542-Y544 HydrophobicContact CG2-CG 3.26Å | ||
| 543 | P | 22.1 | Very low | 26.1 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 57% | 0.571 | 71% | 0.705 | S | S | * | * | S | Bend | cis | -72.9 | 122.7 | 43.4 | 24.3 | -35.4 | 0 | 0 | 0 | 114.4 | S540 Q541 | S540-P543 WeakPolarHBondContact O-CD 3.18Å; Q541-P543 VanDerWaalsContact CG-O 3.26Å; Q541-P543 WeakPolarHBondContact CG-O 3.46Å; Q541-P543 PolarHBondContact NE2-O 2.79Å; Q541-P543 VanDerWaalsContact NE2-O 3.12Å |
| 544 | Y | 29.4 | Very low | 25.8 | Very low | 202 Ų | 202 | 124.3 Ų | 124.3 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | 62.5 | 87.3 | 70.4 | -70 | -51.4 | 0 | 0 | 0 | 111.4 | I542 | I542-Y544 HydrophobicContact CG2-CD1 3.47Å; I542-Y544 VanDerWaalsContact CG2-CD1 3.47Å; I542-Y544 HydrophobicContact CG2-CD2 3.25Å; I542-Y544 HydrophobicContact CG2-CE1 3.61Å; I542-Y544 HydrophobicContact CG2-CE2 3.38Å; I542-Y544 HydrophobicContact CG2-CG 3.26Å | |||
| 545 | G | 30.9 | Very low | 25.9 | Very low | 39 Ų | 39 | 123.1 Ų | 123.1 | 40% | 0.402 | 71% | 0.71 | S | S | . | * | trans | 97.2 | 129.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q541 | Q541-G545 VanDerWaalsContact NE2-C 3.32Å; Q541-G545 PolarHBondContact NE2-O 2.91Å | ||
| 546 | T | 27.8 | Very low | 26.2 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | cis | 57.1 | 131.8 | 48.7 | 83.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 547 | P | 28.6 | Very low | 26.1 | Very low | 105 Ų | 105 | 114 Ų | 114 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | cis | -129.3 | 157 | 40.2 | 40.3 | -26.3 | 0 | 0 | 0 | 117 | ||||
| 548 | N | 27 | Very low | 26.1 | Very low | 134 Ų | 134 | 114.3 Ų | 114.3 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | 50.1 | 126.6 | 136.6 | -55.8 | -9.2 | 0 | 0 | 0 | 118.8 | ||||
| 549 | M | 27.7 | Very low | 26.3 | Very low | 161 Ų | 161 | 118.8 Ų | 118.8 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | cis | -151.4 | 148.7 | 43 | -78.2 | -166.3 | 76.9 | 0 | 0 | 114.9 | ||||
| 550 | Y | 27.4 | Very low | 26.7 | Very low | 175 Ų | 175 | 120.9 Ų | 120.9 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | trans | 14.8 | 142.1 | 131.5 | -54 | -91.8 | 0 | 0 | 0 | 118.8 | ||||
| 551 | M | 26.6 | Very low | 26.6 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | cis | -160.7 | 144.2 | 2.1 | -93.9 | -96.4 | -137 | 0 | 0 | 106.3 | ||||
| 552 | A | 26.5 | Very low | 26.6 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | 55.5 | 132 | 83.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 553 | G | 27 | Very low | 26.4 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | 89.3 | 138.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 554 | G | 27 | Very low | 26.5 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | cis | 130 | 142.2 | 8.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 555 | G | 27.4 | Very low | 26.2 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -62.4 | 170.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 556 | P | 28 | Very low | 25.7 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | -141.9 | 175.2 | 73 | 39.6 | -25.2 | 0 | 0 | 0 | 115.2 | |||||
| 557 | A | 23.5 | Very low | 25.6 | Very low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | -66.8 | 154 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 558 | T | 23.9 | Very low | 25.3 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | 175.7 | 126.4 | 114 | 30.2 | 0 | 0 | 0 | 0 | 113 | N560 | T558-N560 PolarHBondContact O-ND2 2.67Š| |||
| 559 | R | 24.9 | Very low | 25.3 | Very low | 243 Ų | 243 | 133.4 Ų | 133.4 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | 52.5 | -143 | 162.6 | -63.3 | 176 | 159 | 156.3 | -5.8 | 113.2 | ||||
| 560 | N | 29.3 | Very low | 25.1 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | 64.1 | 71.2 | 153.2 | -54.4 | -17.7 | 0 | 0 | 0 | 117.4 | T558 Y562 | T558-N560 PolarHBondContact O-ND2 2.67Å; N560-Y562 PolarHBondContact O-N 2.64Å | ||
| 561 | F | 22.6 | Very low | 25 | Very low | 211 Ų | 211 | 130.6 Ų | 130.6 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -59 | 98 | 146.6 | -84.2 | -110 | 0 | 0 | 0 | 109.4 | ||||
| 562 | Y | 23.3 | Very low | 25 | Very low | 225 Ų | 225 | 126.3 Ų | 126.3 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -162.8 | 129.3 | 170.8 | -115.5 | -77.2 | 0 | 0 | 0 | 112.5 | N560 | N560-Y562 PolarHBondContact O-N 2.64Š| ||
| 563 | G | 23 | Very low | 25.1 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 69.7 | 126.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 564 | G | 23.7 | Very low | 25.1 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | cis | 80.4 | 76 | -10.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 565 | S | 23.2 | Very low | 25 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -162.6 | 126.9 | 150.6 | -14.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 566 | V | 22.2 | Very low | 24.9 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | 92 | 108.9 | 38.6 | 173.7 | 0 | 0 | 0 | 0 | 113.3 | T568 | V566-T568 HydrophobicContact CG1-CG2 3.97Š| ||
| 567 | Q | 24.3 | Very low | 24.7 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -164.9 | 90.6 | 149.8 | -103.3 | 165.3 | 27.1 | 0 | 0 | 107.3 | ||||
| 568 | T | 22.9 | Very low | 24.7 | Very low | 107 Ų | 107 | 137 Ų | 137 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | 70.7 | 107.5 | 80 | 62 | 0 | 0 | 0 | 0 | 115.7 | V566 | V566-T568 HydrophobicContact CG1-CG2 3.97Š| |||
| 569 | Q | 26.8 | Very low | 25.1 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | -173.8 | 136.3 | 126.2 | -103.9 | 167 | 15.1 | 0 | 0 | 114.3 | |||||
| 570 | N | 23.5 | Very low | 25.1 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | trans | 64.7 | 136.9 | 145.4 | -82.4 | 49.5 | 0 | 0 | 0 | 125.8 | ||||
| 571 | D | 25.8 | Very low | 25 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 63 | 142.3 | 145.1 | -54.5 | -37.5 | 0 | 0 | 0 | 121.2 | ||||
| 572 | G | 27.1 | Very low | 25.1 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | 159.6 | 6.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 573 | L | 27 | Very low | 25.3 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 60.5 | 120.5 | 169.4 | -71.5 | 104 | 0 | 0 | 0 | 121 | ||||
| 574 | L | 27.1 | Very low | 25.4 | Very low | 131 Ų | 131 | 127 Ų | 127 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | 79.3 | 104.3 | 135.7 | -61.6 | 172.5 | 0 | 0 | 0 | 122.9 | ||||
| 575 | K | 25.2 | Very low | 25.5 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | 82.4 | 114.6 | 126.9 | -69.8 | 178.7 | 173.6 | 177 | 0 | 121.5 | |||||
| 576 | A | 24.8 | Very low | 25.4 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | 91.5 | 125.2 | 130 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 577 | A | 23.9 | Very low | 25.4 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | trans | 69.8 | 143.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | P580 | A577-P580 HydrophobicContact CB-CG 4.02Š| ||
| 578 | P | 23.6 | Very low | 25.4 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -80.3 | 132.6 | -175.3 | 32.9 | -33.2 | 0 | 0 | 0 | 110.3 | P580 | P578-P580 VanDerWaalsContact O-CA 3.27Å; P578-P580 WeakPolarHBondContact O-CA 3.26Å; P578-P580 WeakPolarHBondContact O-CB 3.18Å; P578-P580 WeakPolarHBondContact O-CG 2.95Å; P578-P580 VanDerWaalsContact O-N 3.09Å |
| 579 | P | 32.1 | Very low | 25.3 | Very low | 136 Ų | 136 | 124 Ų | 124 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -49.6 | 107.3 | -145.3 | 16.4 | -31.6 | 0 | 0 | 0 | 113 | ||
| 580 | P | 25.8 | Very low | 25 | Very low | 79 Ų | 79 | 120.4 Ų | 120.4 | 51% | 0.513 | 74% | 0.737 | S | S | . | * | trans | -121.9 | 176.9 | -140.9 | 16.6 | 7.7 | 0 | 0 | 0 | 115.2 | A577 P578 A582 | A577-P580 HydrophobicContact CB-CG 4.02Å; P578-P580 VanDerWaalsContact O-CA 3.27Å; P578-P580 WeakPolarHBondContact O-CA 3.26Å; P578-P580 WeakPolarHBondContact O-CB 3.18Å; P578-P580 WeakPolarHBondContact O-CG 2.95Å; P578-P580 VanDerWaalsContact O-N 3.09Å; P580-A582 VanDerWaalsContact C-N 3.3Å; P580-A582 PolarHBondContact O-N 2.86Å | ||
| 581 | N | 27.8 | Very low | 24.9 | Very low | 176 Ų | 176 | 115.9 Ų | 115.9 | 94% | 0.941 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -63.6 | 79.9 | 158.8 | -68.5 | -36.9 | 0 | 0 | 0 | 112.2 | ||
| 582 | A | 24.7 | Very low | 24.7 | Very low | 72 Ų | 72 | 110.1 Ų | 110.1 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | trans | -166.8 | 138.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P580 | P580-A582 VanDerWaalsContact C-N 3.3Å; P580-A582 PolarHBondContact O-N 2.86Å | ||
| 583 | W | 26.2 | Very low | 24.5 | Very low | 258 Ų | 258 | 107.4 Ų | 107.4 | 98% | 0.977 | 66% | 0.656 | S | S | * | * | S | Bend | cis | -62.1 | 117.4 | 6.4 | -53.8 | -21 | 0 | 0 | 0 | 113.6 | ||
| 584 | G | 25.3 | Very low | 24.3 | Very low | 51 Ų | 51 | 106.2 Ų | 106.2 | 53% | 0.526 | 66% | 0.655 | S | S | . | * | cis | 89.6 | 85.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 585 | A | 26.5 | Very low | 24.2 | Very low | 112 Ų | 112 | 101.9 Ų | 101.9 | 93% | 0.926 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 2.3 | 124.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 586 | G | 20.7 | Very low | 24.3 | Very low | 59 Ų | 59 | 95.3 Ų | 95.3 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | trans | 116.3 | 114.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 587 | F | 22.9 | Very low | 24.2 | Very low | 197 Ų | 197 | 95.5 Ų | 95.5 | 86% | 0.864 | 61% | 0.611 | S | S | * | * | cis | -93.8 | 135.5 | 1.9 | -73.6 | -95.7 | 0 | 0 | 0 | 109.4 | ||||
| 588 | A | 23.7 | Very low | 24.2 | Very low | 75 Ų | 75 | 94.7 Ų | 94.7 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | cis | 58.8 | 95.7 | 24.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 589 | S | 20.3 | Very low | 24.3 | Very low | 98 Ų | 98 | 97.3 Ų | 97.3 | 69% | 0.685 | 61% | 0.612 | S | S | * | * | trans | 80 | 135.8 | -154 | -50.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 590 | T | 20.8 | Very low | 23.9 | Very low | 107 Ų | 107 | 92.8 Ų | 92.8 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | cis | -143.2 | -150.7 | -22.8 | 15.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 591 | S | 20.8 | Very low | 23.7 | Very low | 31 Ų | 31 | 92.5 Ų | 92.5 | 22% | 0.217 | 58% | 0.581 | C | S | . | * | 74.4 | 110 | 99.9 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | F1285 G1289 | S591-F1285 VanDerWaalsContact C-C 3.44Å; S591-F1285 VanDerWaalsContact C-CD1 3.41Å; S591-F1285 CarbonylContact C-O 3.57Å; S591-F1285 VanDerWaalsContact CB-O 3.25Å; S591-F1285 WeakPolarHBondContact CB-O 3.1Å; S591-F1285 CarbonylContact O-C 3.34Å; S591-F1285 WeakPolarHBondContact O-CA 3.41Å; S591-F1285 WeakPolarHBondContact O-CB 3.46Å; S591-F1285 WeakPolarHBondContact O-CD1 3.39Å; S591-F1285 WeakPolarHBondContact O-CG 3.39Å; S591-F1285 VanDerWaalsContact O-O 3.09Å; S591-G1289 VanDerWaalsContact CB-CA 3.4Å | |||
| 592 | T | 22.3 | Very low | 23.4 | Very low | 32 Ų | 32 | 86.8 Ų | 86.8 | 20% | 0.196 | 56% | 0.555 | C | S | . | * | cis | 167.5 | -176.9 | -4.2 | 14.6 | 0 | 0 | 0 | 0 | 111.1 | F1285 Q1288 G1289 | T592-F1285 VanDerWaalsContact N-CD1 3.34Å; T592-F1285 VanDerWaalsContact N-CG 3.25Å; T592-F1285 PolarHBondContact N-O 3.23Å; T592-F1285 VanDerWaalsContact N-O 3.14Å; T592-F1285 WeakPolarHBondContact O-CA 3.49Å; T592-F1285 WeakPolarHBondContact O-CD2 3.36Å; T592-F1285 VanDerWaalsContact O-CE2 3.32Å; T592-F1285 WeakPolarHBondContact O-CE2 3.24Å; T592-F1285 PolarHBondContact OG1-O 2.81Å; T592-Q1288 VanDerWaalsContact CB-CG 3.46Å; T592-Q1288 HydrophobicContact CG2-CG 3.84Å; T592-Q1288 VanDerWaalsContact OG1-C 3.25Å; T592-Q1288 VanDerWaalsContact OG1-CB 3.28Å; T592-Q1288 WeakPolarHBondContact OG1-CB 3.39Å; T592-Q1288 WeakPolarHBondContact OG1-CG 3.07Å; T592-G1289 PolarHBondContact OG1-N 2.83Å | ||
| 593 | S | 22.5 | Very low | 23.4 | Very low | 10 Ų | 10 | 90.6 Ų | 90.6 | 7% | 0.07 | 56% | 0.555 | C | S | . | * | trans | 58.5 | 100.8 | 165.1 | 54.6 | 0 | 0 | 0 | 0 | 118.3 | Y1284 Q1288 T1318 | S593-Y1284 PolarHBondContact OG-O 3.42Å; S593-Q1288 WeakPolarHBondContact OG-CB 3.42Å; S593-T1318 WeakPolarHBondContact OG-CG2 3.23Å | ||
| 594 | V | 24 | Very low | 23.3 | Very low | 132 Ų | 132 | 84.3 Ų | 84.3 | 80% | 0.8 | 55% | 0.547 | S | S | * | . | cis | 60.4 | 77 | -11.4 | -166.3 | 0 | 0 | 0 | 0 | 118.2 | Q1315 | V594-Q1315 VanDerWaalsContact C-OE1 3.29Å; V594-Q1315 PolarHBondContact O-OE1 3.31Å | ||
| 595 | G | 25.1 | Very low | 23.1 | Very low | 41 Ų | 41 | 87 Ų | 87 | 42% | 0.423 | 55% | 0.55 | S | S | . | . | trans | 156.9 | -156.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q1315 D1319 | G595-Q1315 VanDerWaalsContact C-NE2 3.26Å; G595-Q1315 PolarHBondContact O-NE2 3.03Å; G595-D1319 VanDerWaalsContact C-OD2 3.31Å | ||
| 596 | S | 25.5 | Very low | 22.9 | Very low | 48 Ų | 48 | 87.2 Ų | 87.2 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | S | Bend | cis | -93.5 | 132.7 | -21.1 | -129.9 | 0 | 0 | 0 | 0 | 110.5 | Q1315 D1319 | S596-Q1315 VanDerWaalsContact N-CG 3.27Å; S596-Q1315 VanDerWaalsContact OG-CB 3.29Å; S596-Q1315 WeakPolarHBondContact OG-CB 3.45Å; S596-Q1315 WeakPolarHBondContact OG-CG 3.32Å; S596-D1319 PolarHBondContact N-OD2 3.39Å |
| 597 | V | 23.3 | Very low | 23 | Very low | 103 Ų | 103 | 87.5 Ų | 87.5 | 62% | 0.624 | 54% | 0.536 | S | S | * | . | cis | -158.5 | 164.6 | -15.3 | 96.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 598 | G | 24 | Very low | 22.9 | Very low | 60 Ų | 60 | 83.2 Ų | 83.2 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | trans | 100.7 | 131.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 599 | Q | 25.1 | Very low | 22.9 | Very low | 167 Ų | 167 | 83.8 Ų | 83.8 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | trans | 66.9 | 149.4 | 168.2 | -62.3 | -169.4 | -2.3 | 0 | 0 | 117.3 | P601 | Q599-P601 WeakPolarHBondContact O-CD 3.21Š| ||
| 600 | P | 24.2 | Very low | 23.1 | Very low | 41 Ų | 41 | 83.2 Ų | 83.2 | 27% | 0.266 | 54% | 0.536 | S | S | . | . | trans | -123.3 | 30 | -149.4 | 14 | 15 | 0 | 0 | 0 | 115.7 | P763 R764 S793 | P600-P763 HydrophobicContact CB-CB 4.12Å; P600-P763 HydrophobicContact CB-CG 3.46Å; P600-P763 VanDerWaalsContact CB-CG 3.46Å; P600-P763 HydrophobicContact CG-CB 3.66Å; P600-P763 HydrophobicContact CG-CG 3.38Å; P600-R764 WeakPolarHBondContact O-CG 3.49Å; P600-R764 PolarHBondContact O-NE 3.36Å; P600-S793 WeakPolarHBondContact CG-OG 3.45Å | ||
| 601 | P | 21.3 | Very low | 23.3 | Very low | 72 Ų | 72 | 85.4 Ų | 85.4 | 47% | 0.468 | 54% | 0.544 | S | S | . | . | trans | -75.3 | 165.8 | 173.4 | 36.8 | -36.2 | 0 | 0 | 0 | 110.8 | Q599 R764 | Q599-P601 WeakPolarHBondContact O-CD 3.21Å; P601-R764 VanDerWaalsContact C-NE 3.33Å; P601-R764 VanDerWaalsContact C-NH2 3.34Å; P601-R764 PolarHBondContact O-NE 3.24Å; P601-R764 PolarHBondContact O-NH2 3.22Å | ||
| 602 | S | 22.8 | Very low | 23.4 | Very low | 57 Ų | 57 | 91.5 Ų | 91.5 | 40% | 0.399 | 57% | 0.573 | S | S | . | * | cis | -149 | 167.8 | -17 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | P604 R764 | S602-P604 WeakPolarHBondContact O-CD 3.41Å; S602-R764 PolarHBondContact O-NH1 2.85Å | ||
| 603 | Y | 23.4 | Very low | 23.4 | Very low | 152 Ų | 152 | 96.3 Ų | 96.3 | 60% | 0.596 | 60% | 0.602 | S | S | * | * | trans | -73.3 | 126.9 | 157.5 | -69.7 | -89.1 | 0 | 0 | 0 | 108 | N605 R764 | Y603-N605 PolarHBondContact O-N 3.18Å; Y603-R764 HydrophobicContact CD2-CB 4.24Å; Y603-R764 HydrophobicContact CE2-CB 4.06Å | ||
| 604 | P | 24 | Very low | 23.5 | Very low | 126 Ų | 126 | 100.6 Ų | 100.6 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -72.9 | 71.1 | -180 | -21.8 | 36.2 | 0 | 0 | 0 | 114.1 | S602 C606 | S602-P604 WeakPolarHBondContact O-CD 3.41Å; P604-C606 PolarHBondContact O-N 3.01Å | ||
| 605 | N | 22.4 | Very low | 23.5 | Very low | 107 Ų | 107 | 99.1 Ų | 99.1 | 57% | 0.572 | 63% | 0.634 | S | S | * | * | trans | 28 | 84.2 | 161.1 | -74.5 | -21.1 | 0 | 0 | 0 | 117.1 | Y603 S607 | Y603-N605 PolarHBondContact O-N 3.18Å; N605-S607 PolarHBondContact O-N 2.8Å | ||
| 606 | C | 22.6 | Very low | 23.4 | Very low | 116 Ų | 116 | 101.5 Ų | 101.5 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | trans | -68 | 77.3 | 150 | -170.8 | 0 | 0 | 0 | 0 | 108.5 | P604 S608 | P604-C606 PolarHBondContact O-N 3.01Å; C606-S608 PolarHBondContact O-N 3.43Å | ||
| 607 | S | 21.7 | Very low | 23.5 | Very low | 66 Ų | 66 | 104.3 Ų | 104.3 | 46% | 0.462 | 66% | 0.658 | S | S | . | * | trans | -80.4 | 56.4 | -172.6 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | N605 | N605-S607 PolarHBondContact O-N 2.8Š| ||
| 608 | S | 22.2 | Very low | 23.8 | Very low | 106 Ų | 106 | 101 Ų | 101 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | trans | -108.4 | 51.3 | 178.1 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | C606 | C606-S608 PolarHBondContact O-N 3.43Š| ||
| 609 | A | 23.1 | Very low | 24.2 | Very low | 88 Ų | 88 | 102.9 Ų | 102.9 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -109.2 | 79.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 610 | A | 23.6 | Very low | 24.7 | Very low | 85 Ų | 85 | 97.2 Ų | 97.2 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -155.4 | 136.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 611 | N | 24.4 | Very low | 25.2 | Very low | 154 Ų | 154 | 97.3 Ų | 97.3 | 82% | 0.824 | 61% | 0.607 | S | S | * | * | trans | 65.7 | 61.6 | 166.9 | -55.5 | -2.2 | 0 | 0 | 0 | 117.5 | ||||
| 612 | L | 24.4 | Very low | 25.5 | Very low | 159 Ų | 159 | 95.6 Ų | 95.6 | 83% | 0.832 | 59% | 0.592 | S | S | * | * | trans | -94.6 | 110.5 | 148.4 | -101.4 | 168.4 | 0 | 0 | 0 | 109 | ||||
| 613 | T | 22.7 | Very low | 25.9 | Very low | 132 Ų | 132 | 99.1 Ų | 99.1 | 81% | 0.81 | 60% | 0.602 | S | S | * | * | trans | -139.3 | 66.2 | 175 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 614 | S | 23.2 | Very low | 26.6 | Very low | 100 Ų | 100 | 92.5 Ų | 92.5 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -166.3 | 150.9 | 158.5 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 615 | A | 23.6 | Very low | 27.3 | Very low | 101 Ų | 101 | 88.3 Ų | 88.3 | 84% | 0.835 | 55% | 0.553 | S | S | * | * | trans | -82.2 | 120.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 616 | T | 24.4 | Very low | 27.9 | Very low | 92 Ų | 92 | 86.6 Ų | 86.6 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | trans | -133.2 | 148.7 | 169.1 | 42.2 | 0 | 0 | 0 | 0 | 111.2 | R738 | T616-R738 PolarHBondContact O-NH2 3.05Š| ||
| 617 | P | 27.3 | Very low | 28.8 | Very low | 106 Ų | 106 | 85.9 Ų | 85.9 | 69% | 0.688 | 53% | 0.53 | S | S | * | . | trans | -69.7 | 159.7 | -178.7 | 30.2 | -35.9 | 0 | 0 | 0 | 111.8 | Q619 | P617-Q619 PolarHBondContact O-N 2.92Š| ||
| 618 | V | 30.1 | Very low | 29.9 | Very low | 35 Ų | 35 | 83.1 Ų | 83.1 | 21% | 0.212 | 51% | 0.509 | C | S | . | . | trans | -80.7 | 108 | 176.8 | -177 | 0 | 0 | 0 | 0 | 109.3 | F693 | V618-F693 HydrophobicContact CB-CD1 4.49Å; V618-F693 HydrophobicContact CB-CE1 4.14Å; V618-F693 HydrophobicContact CG1-CE1 4.11Å; V618-F693 HydrophobicContact CG2-CE1 4.08Å | ||
| 619 | Q | 30.7 | Very low | 31.1 | Very low | 99 Ų | 99 | 82.3 Ų | 82.3 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 131 | 158.8 | -71 | 168.7 | -59.3 | 0 | 0 | 108.1 | E414 P617 | E414-Q619 PolarHBondContact OE1-NE2 2.99Å; E414-Q619 PolarHBondContact OE2-NE2 3.45Å; P617-Q619 PolarHBondContact O-N 2.92Å |
| 620 | L | 36.6 | Very low | 32.1 | Very low | 48 Ų | 48 | 82 Ų | 82 | 25% | 0.251 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 151.1 | 164.1 | -87.1 | 148.9 | 0 | 0 | 0 | 109 | F622 D624 I690 V727 L731 | L620-F622 PolarHBondContact O-N 3.14Å; L620-D624 HydrophobicContact CD2-CB 3.99Å; L620-I690 HydrophobicContact CD1-CG2 4.15Å; L620-I690 HydrophobicContact CD2-CG2 4.16Å; L620-V727 HydrophobicContact CD2-CG1 3.54Å; L620-L731 HydrophobicContact CD2-CD1 4.43Å; L620-L731 HydrophobicContact CD2-CD2 4.16Å |
| 621 | S | 34.1 | Very low | 33.5 | Very low | 42 Ų | 42 | 80 Ų | 80 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 141.8 | 168.7 | 111 | 0 | 0 | 0 | 0 | 107.6 | E623 D624 A625 R730 | S621-E623 VanDerWaalsContact C-N 3.29Å; S621-E623 PolarHBondContact O-N 2.95Å; S621-D624 WeakPolarHBondContact CA-OD2 3.46Å; S621-D624 WeakPolarHBondContact CB-OD2 3.48Å; S621-D624 PolarHBondContact N-OD2 3.41Å; S621-D624 VanDerWaalsContact N-OD2 3.09Å; S621-D624 CarbonylContact O-C 3.55Å; S621-D624 VanDerWaalsContact O-CA 3.27Å; S621-D624 WeakPolarHBondContact O-CA 3.43Å; S621-D624 WeakPolarHBondContact O-CB 3.48Å; S621-D624 PolarHBondContact O-N 2.74Å; S621-D624 PolarHBondContact OG-OD1 3.35Å; S621-D624 PolarHBondContact OG-OD2 3.24Å; S621-A625 PolarHBondContact O-N 3.35Å; S621-R730 PolarHBondContact OG-NH1 2.84Å; S621-R730 VanDerWaalsContact OG-NH1 3.13Å |
| 622 | F | 28.7 | Very low | 34.8 | Very low | 36 Ų | 36 | 76.8 Ų | 76.8 | 16% | 0.158 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.9 | -29.2 | -168.8 | 174 | -90.6 | 0 | 0 | 0 | 113.4 | L398 Q399 S400 S402 L620 D624 A625 I626 | L398-F622 WeakPolarHBondContact O-CZ 3.35Å; Q399-F622 VanDerWaalsContact CA-CE2 3.49Å; Q399-F622 HydrophobicContact CB-CE2 4.24Å; Q399-F622 HydrophobicContact CB-CZ 4.42Å; Q399-F622 WeakPolarHBondContact O-CE1 3.02Å; Q399-F622 WeakPolarHBondContact O-CZ 3.44Å; S400-F622 VanDerWaalsContact C-CE1 3.46Å; S402-F622 VanDerWaalsContact CB-CD2 3.48Å; S402-F622 VanDerWaalsContact CB-CE2 3.45Å; S402-F622 VanDerWaalsContact CB-CG 3.48Å; S402-F622 VanDerWaalsContact CB-CZ 3.45Å; S402-F622 WeakPolarHBondContact OG-CB 3.06Å; S402-F622 WeakPolarHBondContact OG-CD1 3.36Å; S402-F622 WeakPolarHBondContact OG-CD2 3.41Å; S402-F622 WeakPolarHBondContact OG-CE1 3.49Å; S402-F622 WeakPolarHBondContact OG-CG 2.87Å; L620-F622 PolarHBondContact O-N 3.14Å; F622-D624 VanDerWaalsContact C-N 3.27Å; F622-D624 PolarHBondContact O-N 3.09Å; F622-A625 PolarHBondContact O-N 2.86Å; F622-I626 HydrophobicContact CD1-CD1 3.54Å; F622-I626 HydrophobicContact CD1-CG1 4.27Å; F622-I626 HydrophobicContact CE1-CD1 3.54Å; F622-I626 HydrophobicContact CE1-CG1 4.43Å; F622-I626 HydrophobicContact CG-CD1 4.41Å; F622-I626 HydrophobicContact CZ-CD1 4.4Å; F622-I626 VanDerWaalsContact O-CG1 3.31Å; F622-I626 WeakPolarHBondContact O-CG1 3.47Å; F622-I626 PolarHBondContact O-N 2.66Å |
| 623 | E | 30.5 | Very low | 36.8 | Very low | 131 Ų | 131 | 75.4 Ų | 75.4 | 61% | 0.612 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.2 | -38.8 | 167.5 | -61.9 | -180 | 140.9 | 0 | 0 | 110.7 | S621 M627 | S621-E623 VanDerWaalsContact C-N 3.29Å; S621-E623 PolarHBondContact O-N 2.95Å; E623-M627 WeakPolarHBondContact O-CB 3.28Å; E623-M627 WeakPolarHBondContact O-CG 3.35Å; E623-M627 PolarHBondContact O-N 2.74Å |
| 624 | D | 38 | Very low | 39.4 | Very low | 14 Ų | 14 | 70.3 Ų | 70.3 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 173.3 | -38.3 | -31.9 | 0 | 0 | 0 | 111.2 | L620 S621 F622 M627 L628 V727 R730 | L620-D624 HydrophobicContact CD2-CB 3.99Å; S621-D624 WeakPolarHBondContact CA-OD2 3.46Å; S621-D624 WeakPolarHBondContact CB-OD2 3.48Å; S621-D624 PolarHBondContact N-OD2 3.41Å; S621-D624 VanDerWaalsContact N-OD2 3.09Å; S621-D624 CarbonylContact O-C 3.55Å; S621-D624 VanDerWaalsContact O-CA 3.27Å; S621-D624 WeakPolarHBondContact O-CA 3.43Å; S621-D624 WeakPolarHBondContact O-CB 3.48Å; S621-D624 PolarHBondContact O-N 2.74Å; S621-D624 PolarHBondContact OG-OD1 3.35Å; S621-D624 PolarHBondContact OG-OD2 3.24Å; F622-D624 VanDerWaalsContact C-N 3.27Å; F622-D624 PolarHBondContact O-N 3.09Å; D624-M627 PolarHBondContact O-N 3.46Å; D624-L628 WeakPolarHBondContact O-CB 3.4Å; D624-L628 PolarHBondContact O-N 3.26Å; D624-V727 HydrophobicContact CB-CG1 3.9Å; D624-V727 HydrophobicContact CB-CG2 3.78Å; D624-R730 IonicContact OD1-CZ 2.72Å; D624-R730 IonicContact OD1-NH1 3.56Å; D624-R730 PolarHBondContact OD1-NH1 3.31Å; D624-R730 IonicContact OD2-CZ 3.16Å; D624-R730 IonicContact OD2-NH1 2.68Å; D624-R730 PolarHBondContact OD2-NH1 3.2Å |
| 625 | A | 39.4 | Very low | 42.1 | Very low | 37 Ų | 37 | 68.1 Ų | 68.1 | 31% | 0.306 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.6 | -44.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S621 F622 M627 L628 D629 | S621-A625 PolarHBondContact O-N 3.35Å; F622-A625 PolarHBondContact O-N 2.86Å; A625-M627 VanDerWaalsContact C-N 3.33Å; A625-L628 PolarHBondContact O-N 3.31Å; A625-D629 PolarHBondContact O-N 2.85Å |
| 626 | I | 34 | Very low | 44.6 | Very low | 71 Ų | 71 | 68.2 Ų | 68.2 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 171.6 | -64.4 | 161.6 | 0 | 0 | 0 | 110 | Q399 F622 L628 D629 S630 | Q399-I626 VanDerWaalsContact O-CD1 3.32Å; Q399-I626 WeakPolarHBondContact O-CD1 3.14Å; Q399-I626 WeakPolarHBondContact O-CG1 3.39Å; F622-I626 HydrophobicContact CD1-CD1 3.54Å; F622-I626 HydrophobicContact CD1-CG1 4.27Å; F622-I626 HydrophobicContact CE1-CD1 3.54Å; F622-I626 HydrophobicContact CE1-CG1 4.43Å; F622-I626 HydrophobicContact CG-CD1 4.41Å; F622-I626 HydrophobicContact CZ-CD1 4.4Å; F622-I626 VanDerWaalsContact O-CG1 3.31Å; F622-I626 WeakPolarHBondContact O-CG1 3.47Å; F622-I626 PolarHBondContact O-N 2.66Å; I626-L628 PolarHBondContact O-N 3.41Å; I626-D629 CarbonylContact O-C 3.11Å; I626-D629 PolarHBondContact O-N 3Å; I626-S630 WeakPolarHBondContact O-CB 3.47Å; I626-S630 PolarHBondContact O-N 3.44Å |
| 627 | M | 41.4 | Very low | 47.4 | Very low | 102 Ų | 102 | 67.1 Ų | 67.1 | 50% | 0.502 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.4 | -35.4 | 176.8 | -75.8 | -76.2 | 162 | 0 | 0 | 112.1 | E623 D624 A625 S630 F724 | E623-M627 WeakPolarHBondContact O-CB 3.28Å; E623-M627 WeakPolarHBondContact O-CG 3.35Å; E623-M627 PolarHBondContact O-N 2.74Å; D624-M627 PolarHBondContact O-N 3.46Å; A625-M627 VanDerWaalsContact C-N 3.33Å; M627-S630 PolarHBondContact O-OG 2.95Å; M627-F724 HydrophobicContact CB-CE1 4.45Å |
| 628 | L | 45.6 | Very low | 50.1 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.6 | -34.3 | 177.3 | -149.7 | 70.3 | 0 | 0 | 0 | 113.6 | D624 A625 I626 L631 K687 I690 E691 F724 | D624-L628 WeakPolarHBondContact O-CB 3.4Å; D624-L628 PolarHBondContact O-N 3.26Å; A625-L628 PolarHBondContact O-N 3.31Å; I626-L628 PolarHBondContact O-N 3.41Å; L628-L631 HydrophobicContact CD1-CD1 4.4Å; L628-K687 HydrophobicContact CD1-CG 4.34Å; L628-K687 HydrophobicContact CD2-CG 4.31Å; L628-K687 HydrophobicContact CG-CD 4.23Å; L628-K687 HydrophobicContact CG-CG 4.03Å; L628-K687 WeakPolarHBondContact O-CE 3.45Å; L628-K687 PolarHBondContact O-NZ 3.32Å; L628-I690 HydrophobicContact CD1-CB 4.38Å; L628-I690 HydrophobicContact CD1-CD1 4.05Å; L628-I690 HydrophobicContact CD1-CG2 4.25Å; L628-I690 HydrophobicContact CD2-CB 4.11Å; L628-I690 HydrophobicContact CD2-CG2 3.65Å; L628-E691 HydrophobicContact CD2-CG 3.55Å; L628-F724 HydrophobicContact CD1-CD1 4.22Å; L628-F724 HydrophobicContact CD1-CE1 3.71Å; L628-F724 HydrophobicContact CD1-CZ 4.33Å |
| 629 | D | 47.1 | Very low | 52.6 | Low | 89 Ų | 89 | 65 Ų | 65 | 48% | 0.476 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -79.7 | -13.9 | 173.7 | -89.3 | -5.2 | 0 | 0 | 0 | 113.4 | R421 A625 I626 L631 K687 | R421-D629 IonicContact NH2-OD2 2.79Å; R421-D629 PolarHBondContact NH2-OD2 3.37Å; A625-D629 PolarHBondContact O-N 2.85Å; I626-D629 CarbonylContact O-C 3.11Å; I626-D629 PolarHBondContact O-N 3Å; D629-L631 PolarHBondContact O-N 3.36Å; D629-K687 IonicContact OD1-NZ 3.67Å; D629-K687 PolarHBondContact OD1-NZ 3.17Å; D629-K687 VanDerWaalsContact OD1-NZ 3.08Å |
| 630 | S | 43.8 | Very low | 55 | Low | 83 Ų | 83 | 66.2 Ų | 66.2 | 58% | 0.58 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11 | 170 | 76.9 | 0 | 0 | 0 | 0 | 114.4 | I626 M627 | I626-S630 WeakPolarHBondContact O-CB 3.47Å; I626-S630 PolarHBondContact O-N 3.44Å; M627-S630 PolarHBondContact O-OG 2.95Å |
| 631 | L | 53.4 | Low | 57.3 | Low | 42 Ų | 42 | 67.2 Ų | 67.2 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -72.8 | 129.6 | 169.7 | -71.5 | 168.1 | 0 | 0 | 0 | 109.4 | L628 D629 K687 F724 | L628-L631 HydrophobicContact CD1-CD1 4.4Å; D629-L631 PolarHBondContact O-N 3.36Å; L631-K687 HydrophobicContact CD1-CB 4.32Å; L631-K687 HydrophobicContact CD1-CD 4.21Å; L631-F724 HydrophobicContact CD1-CZ 4.01Å; L631-F724 HydrophobicContact CG-CZ 4.39Å |
| 632 | P | 51.9 | Low | 59.7 | Low | 86 Ų | 86 | 65.2 Ų | 65.2 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 149 | -178.8 | 26.9 | -35.1 | 0 | 0 | 0 | 111.7 | F634 | P632-F634 PolarHBondContact O-N 2.95Š|
| 633 | P | 65.5 | Low | 62.3 | Low | 130 Ų | 130 | 65.9 Ų | 65.9 | 84% | 0.844 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 120.9 | -177.2 | 25.1 | -34 | 0 | 0 | 0 | 111.6 | ||
| 634 | F | 78.2 | Confident | 64.8 | Low | 26 Ų | 26 | 62.1 Ų | 62.1 | 11% | 0.114 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 142.8 | 177.1 | -56 | -68.6 | 0 | 0 | 0 | 111.4 | P632 V638 Q639 D680 C683 C684 K687 | P632-F634 PolarHBondContact O-N 2.95Å; F634-V638 HydrophobicContact CB-CB 4.46Å; F634-V638 HydrophobicContact CB-CG1 4.01Å; F634-V638 HydrophobicContact CD1-CG1 4.41Å; F634-V638 HydrophobicContact CG-CG1 4.45Å; F634-Q639 HydrophobicContact CB-CG 4.17Å; F634-Q639 PolarHBondContact O-NE2 3.21Å; F634-D680 HydrophobicContact CD1-CB 4.23Å; F634-D680 WeakPolarHBondContact CD1-O 3.43Å; F634-D680 WeakPolarHBondContact CE1-O 3.21Å; F634-C683 HydrophobicContact CE1-CB 3.74Å; F634-C683 HydrophobicContact CZ-CB 3.65Å; F634-C684 HydrophobicContact CB-CB 4.39Å; F634-C684 HydrophobicContact CD1-CB 4.17Å; F634-C684 HydrophobicContact CD2-CB 3.68Å; F634-C684 HydrophobicContact CE1-CB 4.44Å; F634-C684 HydrophobicContact CE2-CB 3.98Å; F634-C684 HydrophobicContact CG-CB 3.8Å; F634-C684 HydrophobicContact CZ-CB 4.36Å; F634-K687 HydrophobicContact CE2-CB 4.31Å; F634-K687 HydrophobicContact CE2-CD 4.25Å |
| 635 | A | 79.3 | Confident | 66.9 | Low | 54 Ų | 54 | 62.2 Ų | 62.2 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 152.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D637 V638 Q639 | A635-D637 VanDerWaalsContact C-N 3.27Å; A635-D637 VanDerWaalsContact CB-OD1 3.25Å; A635-D637 WeakPolarHBondContact CB-OD1 3.41Å; A635-D637 PolarHBondContact O-N 3.28Å; A635-V638 HydrophobicContact CB-CG2 4.34Å; A635-V638 WeakPolarHBondContact O-CB 3.28Å; A635-V638 PolarHBondContact O-N 2.82Å; A635-Q639 WeakPolarHBondContact O-CG 3.25Å; A635-Q639 PolarHBondContact O-N 3.39Å |
| 636 | V | 77.1 | Confident | 69 | Low | 103 Ų | 103 | 61.9 Ų | 61.9 | 62% | 0.624 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.8 | -39 | -175.6 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | Q639 E640 | V636-Q639 WeakPolarHBondContact O-CB 3.35Å; V636-Q639 PolarHBondContact O-N 2.74Å; V636-E640 WeakPolarHBondContact O-CG 3.5Å; V636-E640 PolarHBondContact O-N 3.01Å |
| 637 | D | 81.6 | Confident | 71.2 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.1 | -31.1 | 178.1 | 69.2 | -41.7 | 0 | 0 | 0 | 112.9 | A635 E641 R677 | A635-D637 VanDerWaalsContact C-N 3.27Å; A635-D637 VanDerWaalsContact CB-OD1 3.25Å; A635-D637 WeakPolarHBondContact CB-OD1 3.41Å; A635-D637 PolarHBondContact O-N 3.28Å; D637-E641 WeakPolarHBondContact O-CB 3.39Å; D637-E641 PolarHBondContact O-N 2.86Å; D637-R677 IonicContact OD2-CZ 3.06Å; D637-R677 IonicContact OD2-NH1 3.42Å; D637-R677 PolarHBondContact OD2-NH1 2.87Å; D637-R677 IonicContact OD2-NH2 3.62Å; D637-R677 PolarHBondContact OD2-NH2 3.35Å |
| 638 | V | 85.2 | Confident | 73 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 169.6 | 168.6 | 0 | 0 | 0 | 0 | 111 | F634 A635 E641 A642 R677 D680 I681 C684 | F634-V638 HydrophobicContact CB-CB 4.46Å; F634-V638 HydrophobicContact CB-CG1 4.01Å; F634-V638 HydrophobicContact CD1-CG1 4.41Å; F634-V638 HydrophobicContact CG-CG1 4.45Å; A635-V638 HydrophobicContact CB-CG2 4.34Å; A635-V638 WeakPolarHBondContact O-CB 3.28Å; A635-V638 PolarHBondContact O-N 2.82Å; V638-E641 PolarHBondContact O-N 3.25Å; V638-A642 WeakPolarHBondContact O-CB 3.16Å; V638-A642 PolarHBondContact O-N 3.12Å; V638-R677 HydrophobicContact CG2-CG 4.41Å; V638-D680 HydrophobicContact CG1-CB 4.3Å; V638-I681 HydrophobicContact CB-CG1 4.37Å; V638-I681 HydrophobicContact CG1-CB 4.42Å; V638-I681 HydrophobicContact CG1-CG1 3.82Å; V638-I681 HydrophobicContact CG2-CG1 4.3Å; V638-C684 HydrophobicContact CG1-CB 4.09Å |
| 639 | Q | 82.3 | Confident | 74.6 | Confident | 90 Ų | 90 | 68.7 Ų | 68.7 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 176.5 | -62 | 177.8 | 27.2 | 0 | 0 | 112 | F634 A635 V636 S643 | F634-Q639 HydrophobicContact CB-CG 4.17Å; F634-Q639 PolarHBondContact O-NE2 3.21Å; A635-Q639 WeakPolarHBondContact O-CG 3.25Å; A635-Q639 PolarHBondContact O-N 3.39Å; V636-Q639 WeakPolarHBondContact O-CB 3.35Å; V636-Q639 PolarHBondContact O-N 2.74Å; Q639-S643 VanDerWaalsContact O-CB 3.28Å; Q639-S643 WeakPolarHBondContact O-CB 3.47Å; Q639-S643 PolarHBondContact O-N 2.92Å; Q639-S643 PolarHBondContact O-OG 3.13Å |
| 640 | E | 81.5 | Confident | 76.1 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 172.9 | -75.9 | -173.6 | 177 | 0 | 0 | 111.6 | V636 S643 V644 | V636-E640 WeakPolarHBondContact O-CG 3.5Å; V636-E640 PolarHBondContact O-N 3.01Å; E640-S643 CarbonylContact O-C 3.46Å; E640-S643 WeakPolarHBondContact O-CA 3.47Å; E640-S643 WeakPolarHBondContact O-CB 3.37Å; E640-S643 PolarHBondContact O-N 3.42Å; E640-S643 VanDerWaalsContact O-N 3.17Å; E640-V644 WeakPolarHBondContact O-CG2 3.41Å; E640-V644 PolarHBondContact O-N 3.21Å |
| 641 | E | 83.6 | Confident | 77.5 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | -179 | -174 | 159.7 | -164.3 | 0 | 0 | 111.5 | D637 V638 S643 V644 M645 R677 I681 | D637-E641 WeakPolarHBondContact O-CB 3.39Å; D637-E641 PolarHBondContact O-N 2.86Å; V638-E641 PolarHBondContact O-N 3.25Å; E641-S643 VanDerWaalsContact C-N 3.3Å; E641-S643 PolarHBondContact O-N 3.2Å; E641-V644 WeakPolarHBondContact O-CB 3.46Å; E641-V644 PolarHBondContact O-N 3.44Å; E641-V644 VanDerWaalsContact O-N 3.14Å; E641-M645 HydrophobicContact CG-CE 4.06Å; E641-M645 WeakPolarHBondContact O-CG 3.43Å; E641-M645 PolarHBondContact O-N 3.36Å; E641-M645 VanDerWaalsContact O-N 3.12Å; E641-R677 IonicContact OE2-CZ 3.52Å; E641-R677 VanDerWaalsContact OE2-CZ 3.29Å; E641-R677 IonicContact OE2-NE 3.16Å; E641-R677 PolarHBondContact OE2-NE 2.79Å; E641-R677 IonicContact OE2-NH2 2.68Å; E641-R677 PolarHBondContact OE2-NH2 3.45Å; E641-I681 HydrophobicContact CB-CD1 4.42Å; E641-I681 VanDerWaalsContact CD-CD1 3.49Å; E641-I681 HydrophobicContact CG-CD1 3.87Å; E641-I681 HydrophobicContact CG-CG1 4.48Å; E641-I681 WeakPolarHBondContact OE2-CD1 3.27Å |
| 642 | A | 85.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57 | -42.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V638 V644 M645 F646 I681 C684 M685 | V638-A642 WeakPolarHBondContact O-CB 3.16Å; V638-A642 PolarHBondContact O-N 3.12Å; A642-V644 VanDerWaalsContact C-N 3.31Å; A642-V644 PolarHBondContact O-N 3.49Å; A642-M645 WeakPolarHBondContact O-CB 3.2Å; A642-M645 PolarHBondContact O-N 3.25Å; A642-M645 VanDerWaalsContact O-N 3.08Å; A642-F646 VanDerWaalsContact O-CD2 3.31Å; A642-F646 WeakPolarHBondContact O-CD2 3.44Å; A642-F646 PolarHBondContact O-N 3.14Å; A642-F646 VanDerWaalsContact O-N 3.11Å; A642-I681 HydrophobicContact CB-CG2 4.43Å; A642-C684 HydrophobicContact CB-CB 4.47Å; A642-M685 HydrophobicContact CB-CG 3.68Å |
| 643 | S | 83.7 | Confident | 78 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.6 | -25.1 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | Q639 E640 E641 R647 | Q639-S643 VanDerWaalsContact O-CB 3.28Å; Q639-S643 WeakPolarHBondContact O-CB 3.47Å; Q639-S643 PolarHBondContact O-N 2.92Å; Q639-S643 PolarHBondContact O-OG 3.13Å; E640-S643 CarbonylContact O-C 3.46Å; E640-S643 WeakPolarHBondContact O-CA 3.47Å; E640-S643 WeakPolarHBondContact O-CB 3.37Å; E640-S643 PolarHBondContact O-N 3.42Å; E640-S643 VanDerWaalsContact O-N 3.17Å; E641-S643 VanDerWaalsContact C-N 3.3Å; E641-S643 PolarHBondContact O-N 3.2Å; S643-R647 WeakPolarHBondContact O-CB 3.47Å; S643-R647 VanDerWaalsContact O-CG 3.31Å; S643-R647 WeakPolarHBondContact O-CG 3.19Å; S643-R647 PolarHBondContact O-N 2.91Å; S643-R647 PolarHBondContact O-NE 3.48Å |
| 644 | V | 83.4 | Confident | 77.3 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 168 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | E640 E641 A642 R647 R648 | E640-V644 WeakPolarHBondContact O-CG2 3.41Å; E640-V644 PolarHBondContact O-N 3.21Å; E641-V644 WeakPolarHBondContact O-CB 3.46Å; E641-V644 PolarHBondContact O-N 3.44Å; E641-V644 VanDerWaalsContact O-N 3.14Å; A642-V644 VanDerWaalsContact C-N 3.31Å; A642-V644 PolarHBondContact O-N 3.49Å; V644-R647 VanDerWaalsContact CG2-NH2 3.34Å; V644-R647 PolarHBondContact O-N 2.9Å; V644-R648 WeakPolarHBondContact O-CG 3.32Å; V644-R648 PolarHBondContact O-N 3.25Å |
| 645 | M | 81.3 | Confident | 75.8 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 179.5 | -63.1 | -175.7 | -169.9 | 0 | 0 | 112.1 | E641 A642 R647 R648 L649 F663 L666 L670 I681 M685 | E641-M645 HydrophobicContact CG-CE 4.06Å; E641-M645 WeakPolarHBondContact O-CG 3.43Å; E641-M645 PolarHBondContact O-N 3.36Å; E641-M645 VanDerWaalsContact O-N 3.12Å; A642-M645 WeakPolarHBondContact O-CB 3.2Å; A642-M645 PolarHBondContact O-N 3.25Å; A642-M645 VanDerWaalsContact O-N 3.08Å; M645-R647 PolarHBondContact O-N 3.4Å; M645-R648 PolarHBondContact O-N 3.44Å; M645-L649 PolarHBondContact O-N 3.46Å; M645-F663 HydrophobicContact CB-CE2 4.2Å; M645-L666 HydrophobicContact CG-CD2 4.17Å; M645-L666 HydrophobicContact SD-CD2 3.71Å; M645-L666 HydrophobicContact SD-CG 4.22Å; M645-L670 HydrophobicContact CE-CD1 3.9Å; M645-L670 HydrophobicContact SD-CD1 3.69Å; M645-I681 HydrophobicContact CE-CG2 3.94Å; M645-I681 HydrophobicContact SD-CG2 4.09Å; M645-M685 HydrophobicContact CB-CE 3.86Å; M645-M685 HydrophobicContact CB-SD 4.37Å; M645-M685 HydrophobicContact SD-CE 4.02Å; M645-M685 HydrophobicContact SD-SD 3.59Å |
| 646 | F | 83.8 | Confident | 73.8 | Confident | 30 Ų | 30 | 84.4 Ų | 84.4 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 173.7 | -72.6 | -69.8 | 0 | 0 | 0 | 112.7 | A642 R648 L649 F650 F663 M685 N688 L689 | A642-F646 VanDerWaalsContact O-CD2 3.31Å; A642-F646 WeakPolarHBondContact O-CD2 3.44Å; A642-F646 PolarHBondContact O-N 3.14Å; A642-F646 VanDerWaalsContact O-N 3.11Å; F646-R648 VanDerWaalsContact C-N 3.32Å; F646-R648 PolarHBondContact O-N 3.12Å; F646-L649 WeakPolarHBondContact O-CB 3.33Å; F646-L649 PolarHBondContact O-N 3.35Å; F646-F650 HydrophobicContact CB-CE2 4.17Å; F646-F650 WeakPolarHBondContact O-CD2 3.41Å; F646-F650 PolarHBondContact O-N 2.84Å; F646-F650 VanDerWaalsContact O-N 3.08Å; F646-F663 HydrophobicContact CD1-CE2 4.37Å; F646-F663 AromaticContact CD1-CZ 3.73Å; F646-F663 HydrophobicContact CD1-CZ 3.73Å; F646-F663 HydrophobicContact CE1-CE1 4.15Å; F646-F663 AromaticContact CE1-CZ 3.58Å; F646-F663 HydrophobicContact CE1-CZ 3.58Å; F646-F663 HydrophobicContact CG-CZ 4.44Å; F646-F663 HydrophobicContact CZ-CZ 4.19Å; F646-M685 HydrophobicContact CE2-CB 4.04Å; F646-M685 HydrophobicContact CE2-CE 4.49Å; F646-M685 HydrophobicContact CE2-CG 3.9Å; F646-M685 HydrophobicContact CZ-CB 4.07Å; F646-M685 HydrophobicContact CZ-CE 4.44Å; F646-M685 HydrophobicContact CZ-CG 4.33Å; F646-N688 HydrophobicContact CE2-CB 4.45Å; F646-L689 HydrophobicContact CE1-CD1 4.4Å; F646-L689 HydrophobicContact CE1-CD2 4.09Å; F646-L689 HydrophobicContact CE1-CG 4.09Å; F646-L689 HydrophobicContact CZ-CD1 4.28Å; F646-L689 HydrophobicContact CZ-CD2 4.4Å; F646-L689 HydrophobicContact CZ-CG 3.92Å |
| 647 | R | 80.8 | Confident | 71.9 | Confident | 150 Ų | 150 | 83.4 Ų | 83.4 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.6 | -38.9 | 174.2 | -79.4 | -179.8 | -71.3 | 175.4 | -4.9 | 112.6 | S643 V644 M645 L649 F650 M651 | S643-R647 WeakPolarHBondContact O-CB 3.47Å; S643-R647 VanDerWaalsContact O-CG 3.31Å; S643-R647 WeakPolarHBondContact O-CG 3.19Å; S643-R647 PolarHBondContact O-N 2.91Å; S643-R647 PolarHBondContact O-NE 3.48Å; V644-R647 VanDerWaalsContact CG2-NH2 3.34Å; V644-R647 PolarHBondContact O-N 2.9Å; M645-R647 PolarHBondContact O-N 3.4Å; R647-L649 PolarHBondContact O-N 2.9Å; R647-F650 PolarHBondContact O-N 3.16Å; R647-M651 VanDerWaalsContact O-CB 3.31Å; R647-M651 WeakPolarHBondContact O-CB 3.32Å; R647-M651 WeakPolarHBondContact O-CG 3.29Å; R647-M651 PolarHBondContact O-N 2.82Å |
| 648 | R | 79 | Confident | 70.4 | Confident | 163 Ų | 163 | 82.4 Ų | 82.4 | 62% | 0.615 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.3 | -40.8 | 174.8 | -73 | 176.4 | -174.3 | 168.3 | 5.3 | 112.3 | V644 M645 F646 | V644-R648 WeakPolarHBondContact O-CG 3.32Å; V644-R648 PolarHBondContact O-N 3.25Å; M645-R648 PolarHBondContact O-N 3.44Å; F646-R648 VanDerWaalsContact C-N 3.32Å; F646-R648 PolarHBondContact O-N 3.12Å |
| 649 | L | 80 | Confident | 69.5 | Low | 10 Ų | 10 | 84.2 Ų | 84.2 | 5% | 0.052 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.4 | -50.5 | 176 | 178.6 | 70.1 | 0 | 0 | 0 | 111.4 | M645 F646 R647 M651 T659 F663 V710 | M645-L649 PolarHBondContact O-N 3.46Å; F646-L649 WeakPolarHBondContact O-CB 3.33Å; F646-L649 PolarHBondContact O-N 3.35Å; R647-L649 PolarHBondContact O-N 2.9Å; L649-M651 PolarHBondContact O-N 3.37Å; L649-T659 WeakPolarHBondContact CD1-O 3.4Å; L649-F663 HydrophobicContact CB-CD2 4.05Å; L649-F663 HydrophobicContact CB-CE2 4.19Å; L649-F663 HydrophobicContact CD1-CB 4.11Å; L649-F663 HydrophobicContact CD1-CD2 4.34Å; L649-F663 HydrophobicContact CD1-CG 4.19Å; L649-F663 HydrophobicContact CD2-CD1 4.36Å; L649-F663 HydrophobicContact CD2-CD2 4.32Å; L649-F663 HydrophobicContact CD2-CE1 4.35Å; L649-F663 HydrophobicContact CD2-CE2 4.3Å; L649-F663 HydrophobicContact CD2-CG 4.36Å; L649-F663 HydrophobicContact CD2-CZ 4.31Å; L649-F663 HydrophobicContact CG-CD2 4.47Å; L649-V710 HydrophobicContact CD2-CG2 3.78Å |
| 650 | F | 78.3 | Confident | 69.1 | Low | 41 Ų | 41 | 81.1 Ų | 81.1 | 18% | 0.18 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.8 | -18.8 | -177 | -59.1 | -50 | 0 | 0 | 0 | 114.4 | F646 R647 Y699 R702 E703 C706 T707 | F646-F650 HydrophobicContact CB-CE2 4.17Å; F646-F650 WeakPolarHBondContact O-CD2 3.41Å; F646-F650 PolarHBondContact O-N 2.84Å; F646-F650 VanDerWaalsContact O-N 3.08Å; R647-F650 PolarHBondContact O-N 3.16Å; F650-Y699 HydrophobicContact CZ-CE2 4.49Å; F650-R702 VanDerWaalsContact O-CZ 3.24Å; F650-R702 PolarHBondContact O-NH1 3.15Å; F650-R702 PolarHBondContact O-NH2 3.15Å; F650-E703 HydrophobicContact CB-CG 4.44Å; F650-E703 HydrophobicContact CD1-CB 4.05Å; F650-E703 HydrophobicContact CD1-CG 3.97Å; F650-E703 HydrophobicContact CE1-CB 4.09Å; F650-E703 HydrophobicContact CG-CG 4.25Å; F650-C706 HydrophobicContact CD1-CB 4.46Å; F650-C706 HydrophobicContact CE1-CB 4.29Å; F650-T707 WeakPolarHBondContact CZ-OG1 3.1Å |
| 651 | M | 72.8 | Confident | 68.9 | Low | 152 Ų | 152 | 80.9 Ų | 80.9 | 75% | 0.749 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -83.6 | -11.2 | -178.1 | -73 | -85.9 | 99.7 | 0 | 0 | 115.1 | R647 L649 | R647-M651 VanDerWaalsContact O-CB 3.31Å; R647-M651 WeakPolarHBondContact O-CB 3.32Å; R647-M651 WeakPolarHBondContact O-CG 3.29Å; R647-M651 PolarHBondContact O-N 2.82Å; L649-M651 PolarHBondContact O-N 3.37Å |
| 652 | Q | 61.5 | Low | 68.6 | Low | 76 Ų | 76 | 82.6 Ų | 82.6 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | trans | -77.7 | 134.7 | -172.1 | -74 | -178.1 | -2.8 | 0 | 0 | 114.3 | T659 R702 | Q652-T659 HydrophobicContact CB-CG2 4.25Å; Q652-R702 PolarHBondContact O-NH2 2.96Å | ||
| 653 | P | 54.8 | Low | 68.6 | Low | 95 Ų | 95 | 83.1 Ų | 83.1 | 62% | 0.617 | 44% | 0.438 | S | S | * | . | trans | -77.3 | 157.9 | -174 | 31.1 | -36.2 | 0 | 0 | 0 | 113.6 | Q655 | P653-Q655 PolarHBondContact O-N 3.39Š| ||
| 654 | P | 50.5 | Low | 68.6 | Low | 126 Ų | 126 | 81 Ų | 81 | 82% | 0.818 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 13 | -164.3 | -20 | 34.3 | 0 | 0 | 0 | 117.8 | ||
| 655 | Q | 46.6 | Very low | 68.7 | Low | 186 Ų | 186 | 82.4 Ų | 82.4 | 87% | 0.869 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 9.9 | -167.5 | -62 | -167.6 | 2.7 | 0 | 0 | 115.2 | P653 | P653-Q655 PolarHBondContact O-N 3.39Š|
| 656 | M | 37.1 | Very low | 68.8 | Low | 164 Ų | 164 | 83.6 Ų | 83.6 | 81% | 0.808 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -124.6 | 119.9 | 165.7 | -78.9 | -167.8 | 168.8 | 0 | 0 | 110.9 | S658 | M656-S658 PolarHBondContact O-N 3.14Š|
| 657 | G | 37 | Very low | 68.9 | Low | 82 Ų | 82 | 82.4 Ų | 82.4 | 85% | 0.845 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -87 | 105.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 658 | S | 50.3 | Low | 69 | Low | 48 Ų | 48 | 77.7 Ų | 77.7 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | trans | 174.8 | 22.7 | 154.1 | 38.1 | 0 | 0 | 0 | 0 | 112.5 | M656 V660 E661 Q662 | M656-S658 PolarHBondContact O-N 3.14Å; S658-V660 PolarHBondContact O-N 3.16Å; S658-E661 PolarHBondContact O-N 2.82Å; S658-Q662 WeakPolarHBondContact O-CG 3.32Å; S658-Q662 PolarHBondContact O-N 3.4Å; S658-Q662 PolarHBondContact OG-NE2 2.81Å | ||
| 659 | T | 65.9 | Low | 69.3 | Low | 45 Ų | 45 | 76.8 Ų | 76.8 | 28% | 0.276 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31.3 | -162.3 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | L649 Q652 | L649-T659 WeakPolarHBondContact CD1-O 3.4Å; Q652-T659 HydrophobicContact CB-CG2 4.25Å |
| 660 | V | 73.9 | Confident | 69.6 | Low | 25 Ų | 25 | 76.8 Ų | 76.8 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -37 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | S658 F663 L664 A709 V710 | S658-V660 PolarHBondContact O-N 3.16Å; V660-F663 WeakPolarHBondContact O-CB 3.5Å; V660-F663 PolarHBondContact O-N 3.49Å; V660-L664 HydrophobicContact CG1-CD1 3.92Å; V660-L664 HydrophobicContact CG1-CG 4.43Å; V660-L664 WeakPolarHBondContact O-CG 3.35Å; V660-L664 PolarHBondContact O-N 3.37Å; V660-A709 HydrophobicContact CG2-CB 4.23Å; V660-V710 HydrophobicContact CG1-CG2 4.02Å; V660-V710 HydrophobicContact CG2-CG2 4.41Å |
| 661 | E | 76.8 | Confident | 69.8 | Low | 119 Ų | 119 | 78.1 Ų | 78.1 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.9 | -43.8 | -178.3 | -65.8 | -180 | 144.6 | 0 | 0 | 111.7 | S658 F663 L664 D665 | S658-E661 PolarHBondContact O-N 2.82Å; E661-F663 PolarHBondContact O-N 3.37Å; E661-L664 PolarHBondContact O-N 2.83Å; E661-L664 VanDerWaalsContact O-N 3.12Å; E661-D665 PolarHBondContact O-N 3.04Å |
| 662 | Q | 78.5 | Confident | 70.2 | Confident | 106 Ų | 106 | 78.1 Ų | 78.1 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -31.2 | 173.5 | -67.1 | 177.9 | 30.9 | 0 | 0 | 113.1 | S658 L666 | S658-Q662 WeakPolarHBondContact O-CG 3.32Å; S658-Q662 PolarHBondContact O-N 3.4Å; S658-Q662 PolarHBondContact OG-NE2 2.81Å; Q662-L666 WeakPolarHBondContact O-CB 3.19Å; Q662-L666 PolarHBondContact O-N 3.06Å; Q662-L666 VanDerWaalsContact O-N 3.13Å |
| 663 | F | 85.3 | Confident | 71.3 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 5% | 0.048 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -77.5 | -37.3 | 177.8 | -173.3 | -93.6 | 0 | 0 | 0 | 112 | M645 F646 L649 V660 E661 L666 M667 M685 V710 | M645-F663 HydrophobicContact CB-CE2 4.2Å; F646-F663 HydrophobicContact CD1-CE2 4.37Å; F646-F663 AromaticContact CD1-CZ 3.73Å; F646-F663 HydrophobicContact CD1-CZ 3.73Å; F646-F663 HydrophobicContact CE1-CE1 4.15Å; F646-F663 AromaticContact CE1-CZ 3.58Å; F646-F663 HydrophobicContact CE1-CZ 3.58Å; F646-F663 HydrophobicContact CG-CZ 4.44Å; F646-F663 HydrophobicContact CZ-CZ 4.19Å; L649-F663 HydrophobicContact CB-CD2 4.05Å; L649-F663 HydrophobicContact CB-CE2 4.19Å; L649-F663 HydrophobicContact CD1-CB 4.11Å; L649-F663 HydrophobicContact CD1-CD2 4.34Å; L649-F663 HydrophobicContact CD1-CG 4.19Å; L649-F663 HydrophobicContact CD2-CD1 4.36Å; L649-F663 HydrophobicContact CD2-CD2 4.32Å; L649-F663 HydrophobicContact CD2-CE1 4.35Å; L649-F663 HydrophobicContact CD2-CE2 4.3Å; L649-F663 HydrophobicContact CD2-CG 4.36Å; L649-F663 HydrophobicContact CD2-CZ 4.31Å; L649-F663 HydrophobicContact CG-CD2 4.47Å; V660-F663 WeakPolarHBondContact O-CB 3.5Å; V660-F663 PolarHBondContact O-N 3.49Å; E661-F663 PolarHBondContact O-N 3.37Å; F663-L666 WeakPolarHBondContact O-CB 3.38Å; F663-L666 PolarHBondContact O-N 3.27Å; F663-M667 HydrophobicContact CD1-CE 3.63Å; F663-M667 HydrophobicContact CD1-SD 4.24Å; F663-M667 HydrophobicContact CE1-CE 3.5Å; F663-M667 VanDerWaalsContact CE1-CE 3.5Å; F663-M667 HydrophobicContact CE1-CG 4.22Å; F663-M667 HydrophobicContact CE1-SD 3.61Å; F663-M667 HydrophobicContact CZ-SD 4.27Å; F663-M667 PolarHBondContact O-N 2.98Å; F663-M685 HydrophobicContact CE1-CE 4Å; F663-M685 HydrophobicContact CE2-CE 3.62Å; F663-M685 HydrophobicContact CZ-CE 3.24Å; F663-V710 HydrophobicContact CD1-CG1 4.03Å; F663-V710 HydrophobicContact CD1-CG2 4Å; F663-V710 HydrophobicContact CE1-CG1 3.82Å; F663-V710 HydrophobicContact CE1-CG2 4.33Å |
| 664 | L | 84.2 | Confident | 72.3 | Confident | 4 Ų | 4 | 77.3 Ų | 77.3 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 171.9 | -67.7 | 160.8 | 0 | 0 | 0 | 111.4 | V660 E661 L666 M667 K668 L719 | V660-L664 HydrophobicContact CG1-CD1 3.92Å; V660-L664 HydrophobicContact CG1-CG 4.43Å; V660-L664 WeakPolarHBondContact O-CG 3.35Å; V660-L664 PolarHBondContact O-N 3.37Å; E661-L664 PolarHBondContact O-N 2.83Å; E661-L664 VanDerWaalsContact O-N 3.12Å; L664-L666 VanDerWaalsContact C-N 3.25Å; L664-L666 PolarHBondContact O-N 2.73Å; L664-M667 HydrophobicContact CD2-CE 4.02Å; L664-M667 PolarHBondContact O-N 2.7Å; L664-K668 WeakPolarHBondContact O-CB 3.2Å; L664-K668 WeakPolarHBondContact O-CG 3.31Å; L664-K668 PolarHBondContact O-N 3.46Å; L664-L719 HydrophobicContact CD2-CD1 3.88Å |
| 665 | D | 83.5 | Confident | 73.7 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -28.6 | 176.1 | -71.9 | -18.2 | 0 | 0 | 0 | 112.6 | E661 R669 | E661-D665 PolarHBondContact O-N 3.04Å; D665-R669 VanDerWaalsContact O-CB 3.32Å; D665-R669 WeakPolarHBondContact O-CB 3.48Å; D665-R669 PolarHBondContact O-N 2.92Å; D665-R669 PolarHBondContact O-NH2 3.21Å; D665-R669 VanDerWaalsContact O-NH2 3.12Å |
| 666 | L | 84.6 | Confident | 75.3 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69 | -50.5 | 169.1 | 178.8 | 60.3 | 0 | 0 | 0 | 111 | M645 Q662 F663 L664 K668 R669 L670 | M645-L666 HydrophobicContact CG-CD2 4.17Å; M645-L666 HydrophobicContact SD-CD2 3.71Å; M645-L666 HydrophobicContact SD-CG 4.22Å; Q662-L666 WeakPolarHBondContact O-CB 3.19Å; Q662-L666 PolarHBondContact O-N 3.06Å; Q662-L666 VanDerWaalsContact O-N 3.13Å; F663-L666 WeakPolarHBondContact O-CB 3.38Å; F663-L666 PolarHBondContact O-N 3.27Å; L664-L666 VanDerWaalsContact C-N 3.25Å; L664-L666 PolarHBondContact O-N 2.73Å; L666-K668 PolarHBondContact O-N 2.97Å; L666-R669 PolarHBondContact O-N 3.14Å; L666-L670 HydrophobicContact CD1-CD1 3.93Å; L666-L670 HydrophobicContact CD1-CG 4.11Å; L666-L670 HydrophobicContact CG-CD1 3.89Å; L666-L670 HydrophobicContact CG-CG 4.48Å; L666-L670 WeakPolarHBondContact O-CB 3.5Å; L666-L670 VanDerWaalsContact O-CG 3.25Å; L666-L670 WeakPolarHBondContact O-CG 3.45Å; L666-L670 PolarHBondContact O-N 2.84Å |
| 667 | M | 84.8 | Confident | 77.5 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 178.7 | -73 | -167.6 | -60.6 | 0 | 0 | 113.3 | F663 L664 L670 K671 M685 V710 C714 L719 | F663-M667 HydrophobicContact CD1-CE 3.63Å; F663-M667 HydrophobicContact CD1-SD 4.24Å; F663-M667 HydrophobicContact CE1-CE 3.5Å; F663-M667 VanDerWaalsContact CE1-CE 3.5Å; F663-M667 HydrophobicContact CE1-CG 4.22Å; F663-M667 HydrophobicContact CE1-SD 3.61Å; F663-M667 HydrophobicContact CZ-SD 4.27Å; F663-M667 PolarHBondContact O-N 2.98Å; L664-M667 HydrophobicContact CD2-CE 4.02Å; L664-M667 PolarHBondContact O-N 2.7Å; M667-L670 PolarHBondContact O-N 2.97Å; M667-K671 VanDerWaalsContact O-CB 3.23Å; M667-K671 WeakPolarHBondContact O-CB 3.44Å; M667-K671 PolarHBondContact O-N 3.41Å; M667-M685 HydrophobicContact CG-CE 3.65Å; M667-M685 HydrophobicContact CG-SD 4.27Å; M667-M685 HydrophobicContact SD-CB 4.39Å; M667-M685 HydrophobicContact SD-CE 3.9Å; M667-V710 HydrophobicContact CE-CG1 3.99Å; M667-C714 VanDerWaalsContact CE-SG 3.5Å; M667-L719 HydrophobicContact CB-CD1 4.13Å; M667-L719 HydrophobicContact CE-CD1 3.99Å |
| 668 | K | 84.3 | Confident | 79.9 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 22% | 0.222 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56 | -55.7 | 170.8 | -76 | 174.2 | 177.5 | 178 | 0 | 110.6 | L664 L666 L670 K671 E672 E717 L719 | L664-K668 WeakPolarHBondContact O-CB 3.2Å; L664-K668 WeakPolarHBondContact O-CG 3.31Å; L664-K668 PolarHBondContact O-N 3.46Å; L666-K668 PolarHBondContact O-N 2.97Å; K668-L670 VanDerWaalsContact C-N 3.32Å; K668-L670 PolarHBondContact O-N 2.87Å; K668-K671 PolarHBondContact O-N 3.39Å; K668-K671 VanDerWaalsContact O-N 3.16Å; K668-E672 VanDerWaalsContact O-CB 3.31Å; K668-E672 WeakPolarHBondContact O-CB 3.45Å; K668-E672 VanDerWaalsContact O-CG 3.31Å; K668-E672 WeakPolarHBondContact O-CG 3.49Å; K668-E672 PolarHBondContact O-N 3.11Å; K668-E717 WeakPolarHBondContact CE-OE2 3.39Å; K668-E717 IonicContact NZ-OE2 3.66Å; K668-E717 PolarHBondContact NZ-OE2 2.87Å; K668-L719 HydrophobicContact CG-CD2 3.89Å |
| 669 | R | 85.4 | Confident | 81.5 | Confident | 145 Ų | 145 | 70.5 Ų | 70.5 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | -179.2 | -166.9 | -170.6 | -43.8 | 113.5 | 18 | 113.1 | D665 L666 S673 | D665-R669 VanDerWaalsContact O-CB 3.32Å; D665-R669 WeakPolarHBondContact O-CB 3.48Å; D665-R669 PolarHBondContact O-N 2.92Å; D665-R669 PolarHBondContact O-NH2 3.21Å; D665-R669 VanDerWaalsContact O-NH2 3.12Å; L666-R669 PolarHBondContact O-N 3.14Å; R669-S673 WeakPolarHBondContact O-CB 3.3Å; R669-S673 PolarHBondContact O-N 3.49Å; R669-S673 VanDerWaalsContact O-N 3.08Å |
| 670 | L | 85.7 | Confident | 82.4 | Confident | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 176.7 | -68.8 | 170.4 | 0 | 0 | 0 | 111.6 | M645 L666 M667 K668 S673 E678 N679 I681 A682 M685 | M645-L670 HydrophobicContact CE-CD1 3.9Å; M645-L670 HydrophobicContact SD-CD1 3.69Å; L666-L670 HydrophobicContact CD1-CD1 3.93Å; L666-L670 HydrophobicContact CD1-CG 4.11Å; L666-L670 HydrophobicContact CG-CD1 3.89Å; L666-L670 HydrophobicContact CG-CG 4.48Å; L666-L670 WeakPolarHBondContact O-CB 3.5Å; L666-L670 VanDerWaalsContact O-CG 3.25Å; L666-L670 WeakPolarHBondContact O-CG 3.45Å; L666-L670 PolarHBondContact O-N 2.84Å; M667-L670 PolarHBondContact O-N 2.97Å; K668-L670 VanDerWaalsContact C-N 3.32Å; K668-L670 PolarHBondContact O-N 2.87Å; L670-S673 WeakPolarHBondContact O-CB 3.48Å; L670-S673 PolarHBondContact O-N 3.24Å; L670-E678 HydrophobicContact CD2-CB 3.68Å; L670-E678 HydrophobicContact CD2-CG 3.89Å; L670-E678 CarbonylContact O-C 3.5Å; L670-N679 WeakPolarHBondContact O-CA 3.39Å; L670-N679 PolarHBondContact O-N 3.38Å; L670-I681 HydrophobicContact CD1-CG2 4.11Å; L670-A682 HydrophobicContact CB-CB 3.8Å; L670-M685 HydrophobicContact CD1-SD 4.21Å |
| 671 | K | 82.4 | Confident | 83.1 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 175.9 | -179.8 | -177.3 | 171 | -177.8 | 0 | 112.7 | M667 K668 S673 N679 A682 R718 L719 | M667-K671 VanDerWaalsContact O-CB 3.23Å; M667-K671 WeakPolarHBondContact O-CB 3.44Å; M667-K671 PolarHBondContact O-N 3.41Å; K668-K671 PolarHBondContact O-N 3.39Å; K668-K671 VanDerWaalsContact O-N 3.16Å; K671-S673 VanDerWaalsContact C-N 3.32Å; K671-N679 PolarHBondContact O-ND2 3.21Å; K671-A682 HydrophobicContact CB-CB 4.1Å; K671-R718 PolarHBondContact NZ-O 3.17Å; K671-L719 HydrophobicContact CD-CD2 3.87Å; K671-L719 PolarHBondContact NZ-O 3.12Å |
| 672 | E | 80.8 | Confident | 83.4 | Confident | 151 Ų | 151 | 63.3 Ų | 63.3 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7 | 179.6 | -69.8 | 167.1 | -167.7 | 0 | 0 | 113.1 | K668 | K668-E672 VanDerWaalsContact O-CB 3.31Å; K668-E672 WeakPolarHBondContact O-CB 3.45Å; K668-E672 VanDerWaalsContact O-CG 3.31Å; K668-E672 WeakPolarHBondContact O-CG 3.49Å; K668-E672 PolarHBondContact O-N 3.11Å |
| 673 | S | 84.4 | Confident | 83.6 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | trans | -71.1 | 139.7 | -179.3 | -171.4 | 0 | 0 | 0 | 0 | 112.7 | R669 L670 K671 V675 E678 | R669-S673 WeakPolarHBondContact O-CB 3.3Å; R669-S673 PolarHBondContact O-N 3.49Å; R669-S673 VanDerWaalsContact O-N 3.08Å; L670-S673 WeakPolarHBondContact O-CB 3.48Å; L670-S673 PolarHBondContact O-N 3.24Å; K671-S673 VanDerWaalsContact C-N 3.32Å; S673-V675 WeakPolarHBondContact OG-CB 3.46Å; S673-V675 PolarHBondContact OG-N 3.19Å; S673-E678 WeakPolarHBondContact CB-OE2 3.28Å; S673-E678 PolarHBondContact OG-OE2 3.41Å | ||
| 674 | S | 77.3 | Confident | 83.7 | Confident | 128 Ų | 128 | 59.3 Ų | 59.3 | 90% | 0.895 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -76.9 | -9.6 | 167.9 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | K676 | S674-K676 PolarHBondContact O-N 3.19Š|
| 675 | V | 79.9 | Confident | 83.8 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -79.7 | 111.2 | 176 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | S673 R677 E678 N679 | S673-V675 WeakPolarHBondContact OG-CB 3.46Å; S673-V675 PolarHBondContact OG-N 3.19Å; V675-R677 HydrophobicContact CG1-CB 4.21Å; V675-R677 PolarHBondContact O-N 3.34Å; V675-R677 VanDerWaalsContact O-N 3.12Å; V675-E678 HydrophobicContact CB-CB 4.25Å; V675-E678 HydrophobicContact CB-CG 4.09Å; V675-E678 HydrophobicContact CG1-CG 4.15Å; V675-E678 PolarHBondContact O-N 3.08Å; V675-N679 PolarHBondContact O-N 2.84Å; V675-N679 VanDerWaalsContact O-N 3.17Å |
| 676 | K | 79.2 | Confident | 83.9 | Confident | 152 Ų | 152 | 56.6 Ų | 56.6 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -49.7 | -43.4 | -177.6 | -163.5 | -153.5 | 168.6 | -157.5 | 0 | 112.9 | S674 E678 N679 D680 | S674-K676 PolarHBondContact O-N 3.19Å; K676-E678 VanDerWaalsContact C-N 3.31Å; K676-E678 PolarHBondContact O-N 3.5Å; K676-N679 PolarHBondContact O-N 3Å; K676-D680 WeakPolarHBondContact CE-OD1 3.25Å; K676-D680 WeakPolarHBondContact CE-OD2 3.11Å; K676-D680 IonicContact NZ-OD1 2.77Å; K676-D680 IonicContact NZ-OD2 2.79Å; K676-D680 PolarHBondContact NZ-OD2 2.87Å; K676-D680 WeakPolarHBondContact O-CB 3.19Å; K676-D680 PolarHBondContact O-N 3.44Å |
| 677 | R | 83.6 | Confident | 83.8 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.8 | -44.3 | 176.5 | -173.8 | -162.8 | -179.5 | 84.4 | 7.5 | 112.5 | D637 V638 E641 V675 D680 I681 | D637-R677 IonicContact OD2-CZ 3.06Å; D637-R677 IonicContact OD2-NH1 3.42Å; D637-R677 PolarHBondContact OD2-NH1 2.87Å; D637-R677 IonicContact OD2-NH2 3.62Å; D637-R677 PolarHBondContact OD2-NH2 3.35Å; V638-R677 HydrophobicContact CG2-CG 4.41Å; E641-R677 IonicContact OE2-CZ 3.52Å; E641-R677 VanDerWaalsContact OE2-CZ 3.29Å; E641-R677 IonicContact OE2-NE 3.16Å; E641-R677 PolarHBondContact OE2-NE 2.79Å; E641-R677 IonicContact OE2-NH2 2.68Å; E641-R677 PolarHBondContact OE2-NH2 3.45Å; V675-R677 HydrophobicContact CG1-CB 4.21Å; V675-R677 PolarHBondContact O-N 3.34Å; V675-R677 VanDerWaalsContact O-N 3.12Å; R677-D680 PolarHBondContact O-N 2.86Å; R677-I681 HydrophobicContact CG-CD1 4.11Å; R677-I681 WeakPolarHBondContact O-CD1 3.15Å; R677-I681 WeakPolarHBondContact O-CG1 3.38Å; R677-I681 PolarHBondContact O-N 3.47Å |
| 678 | E | 86.7 | Confident | 83.8 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.5 | -38.2 | -178.8 | -67.6 | -174 | 152.4 | 0 | 0 | 111.2 | L670 S673 V675 K676 I681 A682 | L670-E678 HydrophobicContact CD2-CB 3.68Å; L670-E678 HydrophobicContact CD2-CG 3.89Å; L670-E678 CarbonylContact O-C 3.5Å; S673-E678 WeakPolarHBondContact CB-OE2 3.28Å; S673-E678 PolarHBondContact OG-OE2 3.41Å; V675-E678 HydrophobicContact CB-CB 4.25Å; V675-E678 HydrophobicContact CB-CG 4.09Å; V675-E678 HydrophobicContact CG1-CG 4.15Å; V675-E678 PolarHBondContact O-N 3.08Å; K676-E678 VanDerWaalsContact C-N 3.31Å; K676-E678 PolarHBondContact O-N 3.5Å; E678-I681 PolarHBondContact O-N 3.26Å; E678-A682 PolarHBondContact O-N 3Å |
| 679 | N | 85.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 173 | -162.1 | -98.8 | 0 | 0 | 0 | 111.9 | L670 K671 V675 K676 I681 A682 C683 | L670-N679 WeakPolarHBondContact O-CA 3.39Å; L670-N679 PolarHBondContact O-N 3.38Å; K671-N679 PolarHBondContact O-ND2 3.21Å; V675-N679 PolarHBondContact O-N 2.84Å; V675-N679 VanDerWaalsContact O-N 3.17Å; K676-N679 PolarHBondContact O-N 3Å; N679-I681 VanDerWaalsContact C-N 3.32Å; N679-I681 PolarHBondContact O-N 2.69Å; N679-A682 WeakPolarHBondContact O-CB 3.38Å; N679-A682 PolarHBondContact O-N 2.79Å; N679-A682 VanDerWaalsContact O-N 3.13Å; N679-C683 WeakPolarHBondContact O-CB 3.2Å; N679-C683 PolarHBondContact O-N 3.41Å; N679-C683 PolarHBondContact O-SG 3.2Å |
| 680 | D | 84.3 | Confident | 83.8 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 174.4 | -70.5 | -28.3 | 0 | 0 | 0 | 110.8 | F634 V638 K676 R677 C683 C684 | F634-D680 HydrophobicContact CD1-CB 4.23Å; F634-D680 WeakPolarHBondContact CD1-O 3.43Å; F634-D680 WeakPolarHBondContact CE1-O 3.21Å; V638-D680 HydrophobicContact CG1-CB 4.3Å; K676-D680 WeakPolarHBondContact CE-OD1 3.25Å; K676-D680 WeakPolarHBondContact CE-OD2 3.11Å; K676-D680 IonicContact NZ-OD1 2.77Å; K676-D680 IonicContact NZ-OD2 2.79Å; K676-D680 PolarHBondContact NZ-OD2 2.87Å; K676-D680 WeakPolarHBondContact O-CB 3.19Å; K676-D680 PolarHBondContact O-N 3.44Å; R677-D680 PolarHBondContact O-N 2.86Å; D680-C683 PolarHBondContact O-N 2.86Å; D680-C684 WeakPolarHBondContact O-CB 3.23Å; D680-C684 PolarHBondContact O-N 3.24Å |
| 681 | I | 87.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 173 | -66 | 158.8 | 0 | 0 | 0 | 110.9 | V638 E641 A642 M645 L670 R677 E678 N679 C683 C684 M685 | V638-I681 HydrophobicContact CB-CG1 4.37Å; V638-I681 HydrophobicContact CG1-CB 4.42Å; V638-I681 HydrophobicContact CG1-CG1 3.82Å; V638-I681 HydrophobicContact CG2-CG1 4.3Å; E641-I681 HydrophobicContact CB-CD1 4.42Å; E641-I681 VanDerWaalsContact CD-CD1 3.49Å; E641-I681 HydrophobicContact CG-CD1 3.87Å; E641-I681 HydrophobicContact CG-CG1 4.48Å; E641-I681 WeakPolarHBondContact OE2-CD1 3.27Å; A642-I681 HydrophobicContact CB-CG2 4.43Å; M645-I681 HydrophobicContact CE-CG2 3.94Å; M645-I681 HydrophobicContact SD-CG2 4.09Å; L670-I681 HydrophobicContact CD1-CG2 4.11Å; R677-I681 HydrophobicContact CG-CD1 4.11Å; R677-I681 WeakPolarHBondContact O-CD1 3.15Å; R677-I681 WeakPolarHBondContact O-CG1 3.38Å; R677-I681 PolarHBondContact O-N 3.47Å; E678-I681 PolarHBondContact O-N 3.26Å; N679-I681 VanDerWaalsContact C-N 3.32Å; N679-I681 PolarHBondContact O-N 2.69Å; I681-C683 VanDerWaalsContact C-N 3.34Å; I681-C683 PolarHBondContact O-N 3.46Å; I681-C684 PolarHBondContact O-N 2.92Å; I681-M685 HydrophobicContact CG2-CG 4.39Å; I681-M685 HydrophobicContact CG2-SD 3.89Å; I681-M685 VanDerWaalsContact O-CG 3.28Å; I681-M685 WeakPolarHBondContact O-CG 3.45Å; I681-M685 PolarHBondContact O-N 2.93Å |
| 682 | A | 84.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L670 K671 E678 N679 M685 M686 | L670-A682 HydrophobicContact CB-CB 3.8Å; K671-A682 HydrophobicContact CB-CB 4.1Å; E678-A682 PolarHBondContact O-N 3Å; N679-A682 WeakPolarHBondContact O-CB 3.38Å; N679-A682 PolarHBondContact O-N 2.79Å; N679-A682 VanDerWaalsContact O-N 3.13Å; A682-M685 PolarHBondContact O-N 2.97Å; A682-M686 WeakPolarHBondContact O-CE 3.28Å; A682-M686 WeakPolarHBondContact O-CG 3.42Å; A682-M686 PolarHBondContact O-N 3.08Å |
| 683 | C | 82.7 | Confident | 83.8 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 176.2 | -74.1 | 0 | 0 | 0 | 0 | 112.3 | F634 N679 D680 I681 M686 K687 | F634-C683 HydrophobicContact CE1-CB 3.74Å; F634-C683 HydrophobicContact CZ-CB 3.65Å; N679-C683 WeakPolarHBondContact O-CB 3.2Å; N679-C683 PolarHBondContact O-N 3.41Å; N679-C683 PolarHBondContact O-SG 3.2Å; D680-C683 PolarHBondContact O-N 2.86Å; I681-C683 VanDerWaalsContact C-N 3.34Å; I681-C683 PolarHBondContact O-N 3.46Å; C683-M686 PolarHBondContact O-N 3.1Å; C683-K687 PolarHBondContact O-N 3.03Å |
| 684 | C | 85.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 171.7 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | F634 V638 A642 D680 I681 M686 K687 N688 | F634-C684 HydrophobicContact CB-CB 4.39Å; F634-C684 HydrophobicContact CD1-CB 4.17Å; F634-C684 HydrophobicContact CD2-CB 3.68Å; F634-C684 HydrophobicContact CE1-CB 4.44Å; F634-C684 HydrophobicContact CE2-CB 3.98Å; F634-C684 HydrophobicContact CG-CB 3.8Å; F634-C684 HydrophobicContact CZ-CB 4.36Å; V638-C684 HydrophobicContact CG1-CB 4.09Å; A642-C684 HydrophobicContact CB-CB 4.47Å; D680-C684 WeakPolarHBondContact O-CB 3.23Å; D680-C684 PolarHBondContact O-N 3.24Å; I681-C684 PolarHBondContact O-N 2.92Å; C684-M686 VanDerWaalsContact C-N 3.31Å; C684-M686 PolarHBondContact O-N 2.92Å; C684-K687 PolarHBondContact O-N 3.4Å; C684-N688 WeakPolarHBondContact O-CB 3.44Å; C684-N688 PolarHBondContact O-N 2.96Å; C684-N688 PolarHBondContact O-OD1 3.33Å |
| 685 | M | 87.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | 177.5 | -68.4 | 171.2 | 75 | 0 | 0 | 112.6 | A642 M645 F646 F663 M667 L670 I681 A682 L689 | A642-M685 HydrophobicContact CB-CG 3.68Å; M645-M685 HydrophobicContact CB-CE 3.86Å; M645-M685 HydrophobicContact CB-SD 4.37Å; M645-M685 HydrophobicContact SD-CE 4.02Å; M645-M685 HydrophobicContact SD-SD 3.59Å; F646-M685 HydrophobicContact CE2-CB 4.04Å; F646-M685 HydrophobicContact CE2-CE 4.49Å; F646-M685 HydrophobicContact CE2-CG 3.9Å; F646-M685 HydrophobicContact CZ-CB 4.07Å; F646-M685 HydrophobicContact CZ-CE 4.44Å; F646-M685 HydrophobicContact CZ-CG 4.33Å; F663-M685 HydrophobicContact CE1-CE 4Å; F663-M685 HydrophobicContact CE2-CE 3.62Å; F663-M685 HydrophobicContact CZ-CE 3.24Å; M667-M685 HydrophobicContact CG-CE 3.65Å; M667-M685 HydrophobicContact CG-SD 4.27Å; M667-M685 HydrophobicContact SD-CB 4.39Å; M667-M685 HydrophobicContact SD-CE 3.9Å; L670-M685 HydrophobicContact CD1-SD 4.21Å; I681-M685 HydrophobicContact CG2-CG 4.39Å; I681-M685 HydrophobicContact CG2-SD 3.89Å; I681-M685 VanDerWaalsContact O-CG 3.28Å; I681-M685 WeakPolarHBondContact O-CG 3.45Å; I681-M685 PolarHBondContact O-N 2.93Å; A682-M685 PolarHBondContact O-N 2.97Å; M685-L689 WeakPolarHBondContact O-CG 3.41Å; M685-L689 PolarHBondContact O-N 3.39Å; M685-L689 VanDerWaalsContact O-N 3.16Å |
| 686 | M | 85.3 | Confident | 84 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 14% | 0.143 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.1 | -38.5 | 175.5 | -71 | -175.8 | -69.1 | 0 | 0 | 113.1 | A682 C683 C684 L689 I690 | A682-M686 WeakPolarHBondContact O-CE 3.28Å; A682-M686 WeakPolarHBondContact O-CG 3.42Å; A682-M686 PolarHBondContact O-N 3.08Å; C683-M686 PolarHBondContact O-N 3.1Å; C684-M686 VanDerWaalsContact C-N 3.31Å; C684-M686 PolarHBondContact O-N 2.92Å; M686-L689 PolarHBondContact O-N 2.8Å; M686-I690 PolarHBondContact O-N 3.17Å |
| 687 | K | 81.6 | Confident | 84.1 | Confident | 24 Ų | 24 | 39.1 Ų | 39.1 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -50.4 | 173.6 | 178.6 | 159.8 | -178.4 | 162.5 | 0 | 110.3 | L628 D629 L631 F634 C683 C684 L689 I690 E691 | L628-K687 HydrophobicContact CD1-CG 4.34Å; L628-K687 HydrophobicContact CD2-CG 4.31Å; L628-K687 HydrophobicContact CG-CD 4.23Å; L628-K687 HydrophobicContact CG-CG 4.03Å; L628-K687 WeakPolarHBondContact O-CE 3.45Å; L628-K687 PolarHBondContact O-NZ 3.32Å; D629-K687 IonicContact OD1-NZ 3.67Å; D629-K687 PolarHBondContact OD1-NZ 3.17Å; D629-K687 VanDerWaalsContact OD1-NZ 3.08Å; L631-K687 HydrophobicContact CD1-CB 4.32Å; L631-K687 HydrophobicContact CD1-CD 4.21Å; F634-K687 HydrophobicContact CE2-CB 4.31Å; F634-K687 HydrophobicContact CE2-CD 4.25Å; C683-K687 PolarHBondContact O-N 3.03Å; C684-K687 PolarHBondContact O-N 3.4Å; K687-L689 VanDerWaalsContact C-N 3.31Å; K687-L689 PolarHBondContact O-N 2.84Å; K687-I690 PolarHBondContact O-N 2.81Å; K687-E691 WeakPolarHBondContact CE-OE1 3.13Å; K687-E691 HydrophobicContact CG-CG 4.1Å; K687-E691 IonicContact NZ-OE1 2.92Å; K687-E691 PolarHBondContact O-N 3.44Å |
| 688 | N | 84.8 | Confident | 84 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 22% | 0.219 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.3 | -42.1 | 178.5 | -65 | 17.3 | 0 | 0 | 0 | 112.1 | F646 C684 I690 E691 E692 | F646-N688 HydrophobicContact CE2-CB 4.45Å; C684-N688 WeakPolarHBondContact O-CB 3.44Å; C684-N688 PolarHBondContact O-N 2.96Å; C684-N688 PolarHBondContact O-OD1 3.33Å; N688-I690 PolarHBondContact O-N 2.87Å; N688-E691 PolarHBondContact O-N 3.31Å; N688-E692 VanDerWaalsContact O-CB 3.23Å; N688-E692 WeakPolarHBondContact O-CB 3.45Å; N688-E692 VanDerWaalsContact O-CG 3.25Å; N688-E692 WeakPolarHBondContact O-CG 3.3Å; N688-E692 PolarHBondContact O-N 3.31Å |
| 689 | L | 87.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -25.2 | 177.5 | -83.5 | 168.7 | 0 | 0 | 0 | 114.4 | F646 M685 M686 K687 T707 V710 F711 | F646-L689 HydrophobicContact CE1-CD1 4.4Å; F646-L689 HydrophobicContact CE1-CD2 4.09Å; F646-L689 HydrophobicContact CE1-CG 4.09Å; F646-L689 HydrophobicContact CZ-CD1 4.28Å; F646-L689 HydrophobicContact CZ-CD2 4.4Å; F646-L689 HydrophobicContact CZ-CG 3.92Å; M685-L689 WeakPolarHBondContact O-CG 3.41Å; M685-L689 PolarHBondContact O-N 3.39Å; M685-L689 VanDerWaalsContact O-N 3.16Å; M686-L689 PolarHBondContact O-N 2.8Å; K687-L689 VanDerWaalsContact C-N 3.31Å; K687-L689 PolarHBondContact O-N 2.84Å; L689-T707 HydrophobicContact CD2-CG2 4.06Å; L689-V710 HydrophobicContact CD1-CG1 4.1Å; L689-F711 HydrophobicContact CB-CD2 4.41Å; L689-F711 WeakPolarHBondContact O-CE2 3.46Å |
| 690 | I | 84.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -87.8 | -42.2 | 176.5 | -65.4 | 173.5 | 0 | 0 | 0 | 110.3 | L620 L628 M686 K687 N688 F693 F720 F724 V727 L731 | L620-I690 HydrophobicContact CD1-CG2 4.15Å; L620-I690 HydrophobicContact CD2-CG2 4.16Å; L628-I690 HydrophobicContact CD1-CB 4.38Å; L628-I690 HydrophobicContact CD1-CD1 4.05Å; L628-I690 HydrophobicContact CD1-CG2 4.25Å; L628-I690 HydrophobicContact CD2-CB 4.11Å; L628-I690 HydrophobicContact CD2-CG2 3.65Å; M686-I690 PolarHBondContact O-N 3.17Å; K687-I690 PolarHBondContact O-N 2.81Å; N688-I690 PolarHBondContact O-N 2.87Å; I690-F693 WeakPolarHBondContact O-CB 3.29Å; I690-F693 PolarHBondContact O-N 3.02Å; I690-F720 HydrophobicContact CD1-CD1 4.19Å; I690-F720 HydrophobicContact CD1-CE1 3.94Å; I690-F720 HydrophobicContact CG1-CE1 4.01Å; I690-F724 HydrophobicContact CD1-CB 4.43Å; I690-F724 HydrophobicContact CD1-CD1 4.31Å; I690-V727 HydrophobicContact CG2-CG1 4.46Å; I690-L731 HydrophobicContact CG2-CD1 4.19Å |
| 691 | E | 80.6 | Confident | 83.4 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.2 | -31.8 | 180 | -66 | -171.9 | 140.2 | 0 | 0 | 113.8 | L628 K687 N688 F693 R694 | L628-E691 HydrophobicContact CD2-CG 3.55Å; K687-E691 WeakPolarHBondContact CE-OE1 3.13Å; K687-E691 HydrophobicContact CG-CG 4.1Å; K687-E691 IonicContact NZ-OE1 2.92Å; K687-E691 PolarHBondContact O-N 3.44Å; N688-E691 PolarHBondContact O-N 3.31Å; E691-F693 VanDerWaalsContact C-N 3.26Å; E691-F693 PolarHBondContact O-N 2.92Å; E691-R694 WeakPolarHBondContact O-CD 3.25Å; E691-R694 WeakPolarHBondContact O-CG 3.3Å; E691-R694 PolarHBondContact O-NE 3.22Å |
| 692 | E | 84.3 | Confident | 83.1 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -73.5 | -13.7 | 177.9 | -76.4 | -69.7 | 118.2 | 0 | 0 | 113.4 | N688 R694 F695 F696 Y699 | N688-E692 VanDerWaalsContact O-CB 3.23Å; N688-E692 WeakPolarHBondContact O-CB 3.45Å; N688-E692 VanDerWaalsContact O-CG 3.25Å; N688-E692 WeakPolarHBondContact O-CG 3.3Å; N688-E692 PolarHBondContact O-N 3.31Å; E692-R694 PolarHBondContact O-N 2.97Å; E692-F695 PolarHBondContact O-N 3.49Å; E692-F695 WeakPolarHBondContact OE1-CD2 3.37Å; E692-F696 HydrophobicContact CB-CD1 4.48Å; E692-F696 HydrophobicContact CB-CE1 3.69Å; E692-F696 HydrophobicContact CB-CZ 4.31Å; E692-F696 VanDerWaalsContact O-CD1 3.23Å; E692-F696 WeakPolarHBondContact O-CD1 3.34Å; E692-F696 WeakPolarHBondContact O-CE1 3.46Å; E692-F696 PolarHBondContact O-N 3.48Å; E692-Y699 WeakPolarHBondContact OE2-CE1 3.16Å; E692-Y699 PolarHBondContact OE2-OH 3.33Å |
| 693 | F | 82.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -55.5 | -32.5 | -177.1 | 179.8 | -88.7 | 0 | 0 | 0 | 113.1 | V618 I690 E691 F695 F696 L731 A735 F747 | V618-F693 HydrophobicContact CB-CD1 4.49Å; V618-F693 HydrophobicContact CB-CE1 4.14Å; V618-F693 HydrophobicContact CG1-CE1 4.11Å; V618-F693 HydrophobicContact CG2-CE1 4.08Å; I690-F693 WeakPolarHBondContact O-CB 3.29Å; I690-F693 PolarHBondContact O-N 3.02Å; E691-F693 VanDerWaalsContact C-N 3.26Å; E691-F693 PolarHBondContact O-N 2.92Å; F693-F695 PolarHBondContact O-N 3.02Å; F693-F696 HydrophobicContact CB-CD2 4.2Å; F693-F696 HydrophobicContact CB-CE2 4.02Å; F693-F696 HydrophobicContact CB-CZ 4.45Å; F693-F696 AromaticContact CD2-CD2 3.58Å; F693-F696 HydrophobicContact CD2-CD2 3.58Å; F693-F696 AromaticContact CD2-CE2 3.71Å; F693-F696 HydrophobicContact CD2-CE2 3.71Å; F693-F696 HydrophobicContact CE2-CD2 4.3Å; F693-F696 HydrophobicContact CG-CD2 4.15Å; F693-F696 HydrophobicContact CG-CE2 4.28Å; F693-F696 PolarHBondContact O-N 2.89Å; F693-L731 HydrophobicContact CB-CD1 4.28Å; F693-L731 HydrophobicContact CD1-CD2 3.72Å; F693-L731 HydrophobicContact CD2-CB 4.02Å; F693-L731 HydrophobicContact CD2-CD1 4.32Å; F693-L731 HydrophobicContact CD2-CD2 4.48Å; F693-L731 HydrophobicContact CE1-CB 4.48Å; F693-L731 HydrophobicContact CE1-CD2 3.82Å; F693-L731 HydrophobicContact CE2-CB 3.83Å; F693-L731 HydrophobicContact CG-CB 4.43Å; F693-L731 HydrophobicContact CG-CD1 4.17Å; F693-L731 HydrophobicContact CG-CD2 4.07Å; F693-L731 HydrophobicContact CG-CG 4.45Å; F693-L731 HydrophobicContact CZ-CB 4.07Å; F693-L731 HydrophobicContact CZ-CD2 4.26Å; F693-L731 VanDerWaalsContact CZ-O 3.29Å; F693-L731 WeakPolarHBondContact CZ-O 3.17Å; F693-A735 HydrophobicContact CE2-CB 4.18Å; F693-A735 HydrophobicContact CZ-CB 4.05Å; F693-F747 HydrophobicContact CD2-CE1 4.18Å; F693-F747 HydrophobicContact CD2-CZ 4.36Å; F693-F747 HydrophobicContact CE2-CD1 4.24Å; F693-F747 AromaticContact CE2-CE1 3.78Å; F693-F747 HydrophobicContact CE2-CE1 3.78Å; F693-F747 HydrophobicContact CE2-CZ 4.41Å |
| 694 | R | 78.9 | Confident | 83.4 | Confident | 138 Ų | 138 | 49 Ų | 49 | 52% | 0.521 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -63.1 | -18.7 | 175.5 | 68.8 | -166.6 | 160.7 | 162.4 | -0.2 | 114.5 | E691 E692 N697 | E691-R694 WeakPolarHBondContact O-CD 3.25Å; E691-R694 WeakPolarHBondContact O-CG 3.3Å; E691-R694 PolarHBondContact O-NE 3.22Å; E692-R694 PolarHBondContact O-N 2.97Å; R694-N697 PolarHBondContact O-OD1 2.96Å; R694-N697 VanDerWaalsContact O-OD1 3.14Å |
| 695 | F | 82.4 | Confident | 83.3 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -107.1 | -1.2 | 179.8 | -52.2 | -59.8 | 0 | 0 | 0 | 113.4 | E692 F693 N697 E698 Y699 | E692-F695 PolarHBondContact O-N 3.49Å; E692-F695 WeakPolarHBondContact OE1-CD2 3.37Å; F693-F695 PolarHBondContact O-N 3.02Å; F695-N697 WeakPolarHBondContact CA-OD1 3.22Å; F695-N697 PolarHBondContact O-N 3.4Å; F695-N697 VanDerWaalsContact O-N 3.09Å; F695-N697 PolarHBondContact O-OD1 3.34Å; F695-E698 WeakPolarHBondContact O-CB 3.38Å; F695-E698 PolarHBondContact O-N 3.45Å; F695-Y699 HydrophobicContact CB-CD1 4.48Å; F695-Y699 HydrophobicContact CB-CE1 4.25Å; F695-Y699 WeakPolarHBondContact O-CD1 3.24Å; F695-Y699 PolarHBondContact O-N 3.48Å |
| 696 | F | 85.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -13.4 | -179.3 | -71 | -3.6 | 0 | 0 | 0 | 113.7 | E692 F693 Y699 L704 T707 L744 F747 | E692-F696 HydrophobicContact CB-CD1 4.48Å; E692-F696 HydrophobicContact CB-CE1 3.69Å; E692-F696 HydrophobicContact CB-CZ 4.31Å; E692-F696 VanDerWaalsContact O-CD1 3.23Å; E692-F696 WeakPolarHBondContact O-CD1 3.34Å; E692-F696 WeakPolarHBondContact O-CE1 3.46Å; E692-F696 PolarHBondContact O-N 3.48Å; F693-F696 HydrophobicContact CB-CD2 4.2Å; F693-F696 HydrophobicContact CB-CE2 4.02Å; F693-F696 HydrophobicContact CB-CZ 4.45Å; F693-F696 AromaticContact CD2-CD2 3.58Å; F693-F696 HydrophobicContact CD2-CD2 3.58Å; F693-F696 AromaticContact CD2-CE2 3.71Å; F693-F696 HydrophobicContact CD2-CE2 3.71Å; F693-F696 HydrophobicContact CE2-CD2 4.3Å; F693-F696 HydrophobicContact CG-CD2 4.15Å; F693-F696 HydrophobicContact CG-CE2 4.28Å; F693-F696 PolarHBondContact O-N 2.89Å; F696-Y699 HydrophobicContact CD1-CD1 4.33Å; F696-Y699 HydrophobicContact CD1-CD2 4.31Å; F696-Y699 HydrophobicContact CD1-CE1 4.18Å; F696-Y699 HydrophobicContact CD1-CE2 4.17Å; F696-Y699 HydrophobicContact CD1-CG 4.4Å; F696-Y699 HydrophobicContact CE1-CE2 4.18Å; F696-L704 HydrophobicContact CB-CD1 3.75Å; F696-L704 HydrophobicContact CG-CD1 4.16Å; F696-L704 WeakPolarHBondContact O-CD1 3.24Å; F696-L704 WeakPolarHBondContact O-CD2 3.39Å; F696-T707 HydrophobicContact CE1-CG2 3.74Å; F696-T707 HydrophobicContact CE2-CG2 4.17Å; F696-T707 HydrophobicContact CZ-CG2 3.55Å; F696-L744 HydrophobicContact CB-CD2 3.7Å; F696-F747 AromaticContact CD2-CD2 3.73Å; F696-F747 HydrophobicContact CD2-CD2 3.73Å; F696-F747 HydrophobicContact CD2-CE1 4.3Å; F696-F747 AromaticContact CD2-CE2 3.39Å; F696-F747 HydrophobicContact CD2-CE2 3.39Å; F696-F747 HydrophobicContact CD2-CG 4.33Å; F696-F747 AromaticContact CD2-CZ 3.73Å; F696-F747 HydrophobicContact CD2-CZ 3.73Å; F696-F747 HydrophobicContact CE2-CD2 4.13Å; F696-F747 HydrophobicContact CE2-CE1 4.42Å; F696-F747 AromaticContact CE2-CE2 3.32Å; F696-F747 HydrophobicContact CE2-CE2 3.32Å; F696-F747 AromaticContact CE2-CZ 3.51Å; F696-F747 HydrophobicContact CE2-CZ 3.51Å; F696-F747 HydrophobicContact CG-CE2 4.46Å; F696-F747 HydrophobicContact CZ-CE2 4.33Å |
| 697 | N | 80 | Confident | 83.4 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -29.4 | 165.9 | 61.2 | -42 | 0 | 0 | 0 | 113.2 | R694 F695 K743 L744 | R694-N697 PolarHBondContact O-OD1 2.96Å; R694-N697 VanDerWaalsContact O-OD1 3.14Å; F695-N697 WeakPolarHBondContact CA-OD1 3.22Å; F695-N697 PolarHBondContact O-N 3.4Å; F695-N697 VanDerWaalsContact O-N 3.09Å; F695-N697 PolarHBondContact O-OD1 3.34Å; N697-K743 WeakPolarHBondContact O-CD 3.31Å; N697-K743 PolarHBondContact O-NZ 3.19Å; N697-L744 HydrophobicContact CB-CD1 4.46Å; N697-L744 HydrophobicContact CB-CG 4.44Å |
| 698 | E | 81.9 | Confident | 83.9 | Confident | 137 Ų | 137 | 54.2 Ų | 54.2 | 64% | 0.64 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -33.1 | -176.8 | -73 | 165.9 | -144.8 | 0 | 0 | 111.8 | F695 K743 | F695-E698 WeakPolarHBondContact O-CB 3.38Å; F695-E698 PolarHBondContact O-N 3.45Å; E698-K743 PolarHBondContact O-NZ 2.85Å |
| 699 | Y | 80.9 | Confident | 84.1 | Confident | 51 Ų | 51 | 53 Ų | 53 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -45.2 | 136.5 | 176.8 | -87.1 | 43 | 0 | 0 | 0 | 113 | F650 E692 F695 F696 E703 K743 | F650-Y699 HydrophobicContact CZ-CE2 4.49Å; E692-Y699 WeakPolarHBondContact OE2-CE1 3.16Å; E692-Y699 PolarHBondContact OE2-OH 3.33Å; F695-Y699 HydrophobicContact CB-CD1 4.48Å; F695-Y699 HydrophobicContact CB-CE1 4.25Å; F695-Y699 WeakPolarHBondContact O-CD1 3.24Å; F695-Y699 PolarHBondContact O-N 3.48Å; F696-Y699 HydrophobicContact CD1-CD1 4.33Å; F696-Y699 HydrophobicContact CD1-CD2 4.31Å; F696-Y699 HydrophobicContact CD1-CE1 4.18Å; F696-Y699 HydrophobicContact CD1-CE2 4.17Å; F696-Y699 HydrophobicContact CD1-CG 4.4Å; F696-Y699 HydrophobicContact CE1-CE2 4.18Å; Y699-E703 HydrophobicContact CD2-CB 4.42Å; Y699-K743 VanDerWaalsContact O-CE 3.3Å; Y699-K743 WeakPolarHBondContact O-CE 3.27Å; Y699-K743 PolarHBondContact O-NZ 2.95Å |
| 700 | P | 84.5 | Confident | 84.2 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | trans | -68.7 | 154.4 | 173.4 | 1.8 | 9.9 | 0 | 0 | 0 | 111.6 | R702 E703 L704 | P700-R702 VanDerWaalsContact C-N 3.28Å; P700-R702 PolarHBondContact O-N 2.89Å; P700-R702 VanDerWaalsContact O-N 3.13Å; P700-E703 WeakPolarHBondContact CB-OE2 3.15Å; P700-E703 WeakPolarHBondContact CG-OE2 3.19Å; P700-E703 PolarHBondContact O-N 3.1Å; P700-E703 VanDerWaalsContact O-N 3.15Å; P700-L704 WeakPolarHBondContact O-CB 3.28Å; P700-L704 PolarHBondContact O-N 2.99Å | ||
| 701 | D | 79.3 | Confident | 84.5 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.8 | -30.7 | -163.8 | -54.1 | -19 | 0 | 0 | 0 | 114.1 | R705 K743 | D701-R705 VanDerWaalsContact O-CB 3.26Å; D701-R705 WeakPolarHBondContact O-CB 3.43Å; D701-R705 VanDerWaalsContact O-CD 3.29Å; D701-R705 WeakPolarHBondContact O-CD 3.2Å; D701-R705 WeakPolarHBondContact O-CG 3.2Å; D701-R705 PolarHBondContact O-N 3.44Å; D701-K743 VanDerWaalsContact OD1-CE 3.29Å; D701-K743 WeakPolarHBondContact OD1-CE 3.47Å |
| 702 | R | 81.3 | Confident | 85 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 43% | 0.434 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.8 | -47.9 | 177.9 | 169.6 | 178.6 | 172.2 | -93.3 | 0 | 111 | F650 Q652 P700 R705 C706 | F650-R702 VanDerWaalsContact O-CZ 3.24Å; F650-R702 PolarHBondContact O-NH1 3.15Å; F650-R702 PolarHBondContact O-NH2 3.15Å; Q652-R702 PolarHBondContact O-NH2 2.96Å; P700-R702 VanDerWaalsContact C-N 3.28Å; P700-R702 PolarHBondContact O-N 2.89Å; P700-R702 VanDerWaalsContact O-N 3.13Å; R702-R705 PolarHBondContact O-N 3.45Å; R702-C706 WeakPolarHBondContact O-CB 3.02Å; R702-C706 PolarHBondContact O-N 2.76Å |
| 703 | E | 84.5 | Confident | 85.2 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | -178.4 | -66.5 | 60.1 | -131.7 | 0 | 0 | 110 | F650 Y699 P700 C706 T707 | F650-E703 HydrophobicContact CB-CG 4.44Å; F650-E703 HydrophobicContact CD1-CB 4.05Å; F650-E703 HydrophobicContact CD1-CG 3.97Å; F650-E703 HydrophobicContact CE1-CB 4.09Å; F650-E703 HydrophobicContact CG-CG 4.25Å; Y699-E703 HydrophobicContact CD2-CB 4.42Å; P700-E703 WeakPolarHBondContact CB-OE2 3.15Å; P700-E703 WeakPolarHBondContact CG-OE2 3.19Å; P700-E703 PolarHBondContact O-N 3.1Å; P700-E703 VanDerWaalsContact O-N 3.15Å; E703-C706 PolarHBondContact O-N 3.14Å; E703-T707 WeakPolarHBondContact O-CB 3.19Å; E703-T707 PolarHBondContact O-N 2.7Å; E703-T707 PolarHBondContact O-OG1 3.15Å |
| 704 | L | 87.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.4 | -177.3 | 59.6 | 0 | 0 | 0 | 112.3 | F696 P700 C706 T707 A708 K743 F747 | F696-L704 HydrophobicContact CB-CD1 3.75Å; F696-L704 HydrophobicContact CG-CD1 4.16Å; F696-L704 WeakPolarHBondContact O-CD1 3.24Å; F696-L704 WeakPolarHBondContact O-CD2 3.39Å; P700-L704 WeakPolarHBondContact O-CB 3.28Å; P700-L704 PolarHBondContact O-N 2.99Å; L704-C706 VanDerWaalsContact C-N 3.3Å; L704-C706 PolarHBondContact O-N 3.39Å; L704-T707 PolarHBondContact O-N 2.74Å; L704-A708 WeakPolarHBondContact O-CB 2.93Å; L704-A708 PolarHBondContact O-N 3.13Å; L704-K743 HydrophobicContact CD2-CB 3.55Å; L704-K743 HydrophobicContact CD2-CD 4.15Å; L704-K743 HydrophobicContact CD2-CG 3.79Å; L704-F747 HydrophobicContact CD1-CB 4.1Å; L704-F747 HydrophobicContact CD1-CD2 3.84Å; L704-F747 HydrophobicContact CD1-CG 4.37Å; L704-F747 HydrophobicContact CG-CB 4.44Å |
| 705 | R | 85.5 | Confident | 86 | Confident | 134 Ų | 134 | 40.1 Ų | 40.1 | 51% | 0.506 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 176.6 | -72.9 | 171.3 | 177.2 | 179.4 | 1.9 | 112 | D701 R702 A709 D746 I750 | D701-R705 VanDerWaalsContact O-CB 3.26Å; D701-R705 WeakPolarHBondContact O-CB 3.43Å; D701-R705 VanDerWaalsContact O-CD 3.29Å; D701-R705 WeakPolarHBondContact O-CD 3.2Å; D701-R705 WeakPolarHBondContact O-CG 3.2Å; D701-R705 PolarHBondContact O-N 3.44Å; R702-R705 PolarHBondContact O-N 3.45Å; R705-A709 WeakPolarHBondContact O-CB 3.49Å; R705-A709 PolarHBondContact O-N 3.36Å; R705-A709 VanDerWaalsContact O-N 3.09Å; R705-D746 IonicContact NH2-OD2 3.83Å; R705-I750 HydrophobicContact CB-CD1 4.26Å; R705-I750 HydrophobicContact CG-CD1 3.64Å |
| 706 | C | 86.2 | Confident | 86.3 | Confident | 24 Ų | 24 | 40 Ų | 40 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.4 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | F650 R702 E703 L704 A709 V710 | F650-C706 HydrophobicContact CD1-CB 4.46Å; F650-C706 HydrophobicContact CE1-CB 4.29Å; R702-C706 WeakPolarHBondContact O-CB 3.02Å; R702-C706 PolarHBondContact O-N 2.76Å; E703-C706 PolarHBondContact O-N 3.14Å; L704-C706 VanDerWaalsContact C-N 3.3Å; L704-C706 PolarHBondContact O-N 3.39Å; C706-A709 PolarHBondContact O-N 3.08Å; C706-V710 PolarHBondContact O-N 3.32Å |
| 707 | T | 88.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.5 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | F650 L689 F696 E703 L704 A709 V710 F711 | F650-T707 WeakPolarHBondContact CZ-OG1 3.1Å; L689-T707 HydrophobicContact CD2-CG2 4.06Å; F696-T707 HydrophobicContact CE1-CG2 3.74Å; F696-T707 HydrophobicContact CE2-CG2 4.17Å; F696-T707 HydrophobicContact CZ-CG2 3.55Å; E703-T707 WeakPolarHBondContact O-CB 3.19Å; E703-T707 PolarHBondContact O-N 2.7Å; E703-T707 PolarHBondContact O-OG1 3.15Å; L704-T707 PolarHBondContact O-N 2.74Å; T707-A709 PolarHBondContact O-N 2.77Å; T707-V710 PolarHBondContact O-N 2.95Å; T707-F711 VanDerWaalsContact O-CB 3.28Å; T707-F711 WeakPolarHBondContact O-CB 3.36Å; T707-F711 PolarHBondContact O-N 3.33Å |
| 708 | A | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L704 F711 G712 F747 I750 | L704-A708 WeakPolarHBondContact O-CB 2.93Å; L704-A708 PolarHBondContact O-N 3.13Å; A708-F711 PolarHBondContact O-N 2.85Å; A708-G712 PolarHBondContact O-N 3.01Å; A708-F747 HydrophobicContact CB-CB 4.37Å; A708-F747 HydrophobicContact CB-CD2 3.49Å; A708-F747 VanDerWaalsContact CB-CD2 3.49Å; A708-F747 HydrophobicContact CB-CE2 3.94Å; A708-F747 HydrophobicContact CB-CG 4.05Å; A708-I750 HydrophobicContact CB-CB 3.85Å; A708-I750 HydrophobicContact CB-CG2 3.62Å |
| 709 | A | 89.3 | Confident | 86.6 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V660 R705 C706 T707 S713 | V660-A709 HydrophobicContact CG2-CB 4.23Å; R705-A709 WeakPolarHBondContact O-CB 3.49Å; R705-A709 PolarHBondContact O-N 3.36Å; R705-A709 VanDerWaalsContact O-N 3.09Å; C706-A709 PolarHBondContact O-N 3.08Å; T707-A709 PolarHBondContact O-N 2.77Å; A709-S713 WeakPolarHBondContact O-CB 3.37Å; A709-S713 PolarHBondContact O-N 2.89Å; A709-S713 VanDerWaalsContact O-N 3.16Å; A709-S713 PolarHBondContact O-OG 2.99Å |
| 710 | V | 89.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -51.6 | 171.5 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L649 V660 F663 M667 L689 C706 T707 S713 C714 | L649-V710 HydrophobicContact CD2-CG2 3.78Å; V660-V710 HydrophobicContact CG1-CG2 4.02Å; V660-V710 HydrophobicContact CG2-CG2 4.41Å; F663-V710 HydrophobicContact CD1-CG1 4.03Å; F663-V710 HydrophobicContact CD1-CG2 4Å; F663-V710 HydrophobicContact CE1-CG1 3.82Å; F663-V710 HydrophobicContact CE1-CG2 4.33Å; M667-V710 HydrophobicContact CE-CG1 3.99Å; L689-V710 HydrophobicContact CD1-CG1 4.1Å; C706-V710 PolarHBondContact O-N 3.32Å; T707-V710 PolarHBondContact O-N 2.95Å; V710-S713 CarbonylContact O-C 3.51Å; V710-S713 PolarHBondContact O-N 3.48Å; V710-S713 VanDerWaalsContact O-N 3.14Å; V710-C714 PolarHBondContact O-N 2.76Å; V710-C714 PolarHBondContact O-SG 2.81Å |
| 711 | F | 92 | Very high | 86 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -48 | -175.3 | -164.4 | -78 | 0 | 0 | 0 | 111.9 | L689 T707 A708 S713 C714 I715 F720 A728 L731 V732 F747 | L689-F711 HydrophobicContact CB-CD2 4.41Å; L689-F711 WeakPolarHBondContact O-CE2 3.46Å; T707-F711 VanDerWaalsContact O-CB 3.28Å; T707-F711 WeakPolarHBondContact O-CB 3.36Å; T707-F711 PolarHBondContact O-N 3.33Å; A708-F711 PolarHBondContact O-N 2.85Å; F711-S713 VanDerWaalsContact C-N 3.29Å; F711-S713 PolarHBondContact O-N 3.45Å; F711-C714 WeakPolarHBondContact O-CB 3.47Å; F711-C714 PolarHBondContact O-N 3.28Å; F711-C714 VanDerWaalsContact O-N 3.15Å; F711-I715 HydrophobicContact CD1-CD1 4.21Å; F711-I715 HydrophobicContact CE1-CD1 4.14Å; F711-I715 PolarHBondContact O-N 3.4Å; F711-F720 HydrophobicContact CD1-CE2 4.42Å; F711-F720 HydrophobicContact CD2-CZ 4.12Å; F711-F720 HydrophobicContact CE1-CE2 4.27Å; F711-F720 HydrophobicContact CE1-CZ 4.42Å; F711-F720 AromaticContact CE2-CZ 3.88Å; F711-F720 HydrophobicContact CE2-CZ 3.88Å; F711-F720 HydrophobicContact CG-CZ 4.49Å; F711-F720 HydrophobicContact CZ-CE2 4.32Å; F711-F720 HydrophobicContact CZ-CZ 4.04Å; F711-A728 HydrophobicContact CE1-CB 3.95Å; F711-A728 HydrophobicContact CZ-CB 4.01Å; F711-L731 HydrophobicContact CZ-CB 4.44Å; F711-L731 HydrophobicContact CZ-CD1 4.13Å; F711-V732 HydrophobicContact CD1-CG2 4.12Å; F711-V732 HydrophobicContact CE1-CG2 3.96Å; F711-F747 HydrophobicContact CB-CE2 4.29Å; F711-F747 HydrophobicContact CB-CZ 4Å; F711-F747 HydrophobicContact CD1-CZ 4.06Å; F711-F747 HydrophobicContact CD2-CZ 4.27Å; F711-F747 AromaticContact CG-CZ 3.86Å; F711-F747 HydrophobicContact CG-CZ 3.86Å |
| 712 | G | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -32.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A708 I715 R716 Q754 | A708-G712 PolarHBondContact O-N 3.01Å; G712-I715 PolarHBondContact O-N 3.02Å; G712-R716 PolarHBondContact O-N 3.06Å; G712-Q754 VanDerWaalsContact C-CB 3.49Å |
| 713 | S | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.4 | -28.1 | 173.5 | -62.5 | 0 | 0 | 0 | 0 | 113 | A709 V710 F711 I715 R716 E717 Q754 | A709-S713 WeakPolarHBondContact O-CB 3.37Å; A709-S713 PolarHBondContact O-N 2.89Å; A709-S713 VanDerWaalsContact O-N 3.16Å; A709-S713 PolarHBondContact O-OG 2.99Å; V710-S713 CarbonylContact O-C 3.51Å; V710-S713 PolarHBondContact O-N 3.48Å; V710-S713 VanDerWaalsContact O-N 3.14Å; F711-S713 VanDerWaalsContact C-N 3.29Å; F711-S713 PolarHBondContact O-N 3.45Å; S713-I715 PolarHBondContact O-N 3.23Å; S713-R716 PolarHBondContact O-N 2.93Å; S713-R716 PolarHBondContact OG-NH2 3.12Å; S713-E717 WeakPolarHBondContact O-CB 3.4Å; S713-E717 VanDerWaalsContact O-CG 3.28Å; S713-E717 WeakPolarHBondContact O-CG 3.48Å; S713-E717 PolarHBondContact O-N 3.04Å; S713-Q754 PolarHBondContact OG-OE1 3.41Å |
| 714 | C | 89.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.8 | -27.1 | 172.1 | -67 | 0 | 0 | 0 | 0 | 112.5 | M667 V710 F711 R718 L719 F720 | M667-C714 VanDerWaalsContact CE-SG 3.5Å; V710-C714 PolarHBondContact O-N 2.76Å; V710-C714 PolarHBondContact O-SG 2.81Å; F711-C714 WeakPolarHBondContact O-CB 3.47Å; F711-C714 PolarHBondContact O-N 3.28Å; F711-C714 VanDerWaalsContact O-N 3.15Å; C714-R718 PolarHBondContact O-N 2.86Å; C714-L719 HydrophobicContact CB-CB 4.09Å; C714-L719 HydrophobicContact CB-CD1 4.43Å; C714-L719 PolarHBondContact O-N 2.82Å; C714-F720 HydrophobicContact CB-CD2 3.88Å; C714-F720 HydrophobicContact CB-CE2 3.44Å; C714-F720 VanDerWaalsContact CB-CE2 3.44Å; C714-F720 HydrophobicContact CB-CZ 3.98Å |
| 715 | I | 88.9 | Confident | 83.4 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.9 | -56.1 | 169.3 | -66.2 | 170.2 | 0 | 0 | 0 | 109.9 | F711 G712 S713 E717 R718 F720 M725 A728 V732 F755 | F711-I715 HydrophobicContact CD1-CD1 4.21Å; F711-I715 HydrophobicContact CE1-CD1 4.14Å; F711-I715 PolarHBondContact O-N 3.4Å; G712-I715 PolarHBondContact O-N 3.02Å; S713-I715 PolarHBondContact O-N 3.23Å; I715-E717 PolarHBondContact O-N 3.46Å; I715-R718 PolarHBondContact O-N 3.03Å; I715-F720 HydrophobicContact CG1-CD2 3.98Å; I715-F720 HydrophobicContact CG1-CE2 4.07Å; I715-M725 HydrophobicContact CB-SD 4.44Å; I715-M725 HydrophobicContact CG1-SD 4.39Å; I715-M725 HydrophobicContact CG2-SD 3.95Å; I715-A728 HydrophobicContact CD1-CB 4.18Å; I715-A728 HydrophobicContact CG1-CB 4.09Å; I715-V732 HydrophobicContact CD1-CG2 3.98Å; I715-F755 HydrophobicContact CB-CD1 3.98Å; I715-F755 HydrophobicContact CB-CE1 4.37Å; I715-F755 HydrophobicContact CB-CG 4.24Å; I715-F755 HydrophobicContact CD1-CD1 4.09Å; I715-F755 HydrophobicContact CD1-CE1 3.63Å; I715-F755 HydrophobicContact CD1-CZ 4.1Å; I715-F755 HydrophobicContact CG2-CB 4.11Å; I715-F755 HydrophobicContact CG2-CD1 3.86Å; I715-F755 HydrophobicContact CG2-CD2 3.9Å; I715-F755 HydrophobicContact CG2-CE1 4.19Å; I715-F755 HydrophobicContact CG2-CE2 4.22Å; I715-F755 HydrophobicContact CG2-CG 3.71Å; I715-F755 HydrophobicContact CG2-CZ 4.36Å |
| 716 | R | 88.8 | Confident | 83 | Confident | 69 Ų | 69 | 33.9 Ų | 33.9 | 26% | 0.26 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -50.6 | -50.2 | 176.7 | 169.8 | 171.8 | 54.6 | 112.5 | -14.5 | 113 | G712 S713 R718 Q754 F755 | G712-R716 PolarHBondContact O-N 3.06Å; S713-R716 PolarHBondContact O-N 2.93Å; S713-R716 PolarHBondContact OG-NH2 3.12Å; R716-R718 PolarHBondContact O-N 3.22Å; R716-Q754 WeakPolarHBondContact CD-O 3.41Å; R716-Q754 PolarHBondContact NE-O 3.07Å; R716-F755 HydrophobicContact CB-CB 3.98Å |
| 717 | E | 85.4 | Confident | 82.5 | Confident | 62 Ų | 62 | 33.1 Ų | 33.1 | 29% | 0.29 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 6.1 | -176.9 | -56.4 | -61.8 | 144 | 0 | 0 | 113.2 | K668 S713 I715 L719 | K668-E717 WeakPolarHBondContact CE-OE2 3.39Å; K668-E717 IonicContact NZ-OE2 3.66Å; K668-E717 PolarHBondContact NZ-OE2 2.87Å; S713-E717 WeakPolarHBondContact O-CB 3.4Å; S713-E717 VanDerWaalsContact O-CG 3.28Å; S713-E717 WeakPolarHBondContact O-CG 3.48Å; S713-E717 PolarHBondContact O-N 3.04Å; I715-E717 PolarHBondContact O-N 3.46Å; E717-L719 HydrophobicContact CB-CG 4.26Å; E717-L719 PolarHBondContact O-N 2.93Å; E717-L719 VanDerWaalsContact O-N 3.15Å |
| 718 | R | 84.7 | Confident | 82.3 | Confident | 162 Ų | 162 | 32.9 Ų | 32.9 | 61% | 0.611 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.9 | 179.7 | -54.6 | 178.4 | -172.1 | 166.4 | 2.4 | 113.2 | K671 C714 I715 R716 M725 | K671-R718 PolarHBondContact NZ-O 3.17Å; C714-R718 PolarHBondContact O-N 2.86Å; I715-R718 PolarHBondContact O-N 3.03Å; R716-R718 PolarHBondContact O-N 3.22Å; R718-M725 HydrophobicContact CB-CE 4.39Å; R718-M725 HydrophobicContact CG-CE 4.33Å |
| 719 | L | 82.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | trans | -70 | -41.6 | 175.6 | -75.5 | 175.5 | 0 | 0 | 0 | 110.4 | L664 M667 K668 K671 C714 E717 G721 | L664-L719 HydrophobicContact CD2-CD1 3.88Å; M667-L719 HydrophobicContact CB-CD1 4.13Å; M667-L719 HydrophobicContact CE-CD1 3.99Å; K668-L719 HydrophobicContact CG-CD2 3.89Å; K671-L719 HydrophobicContact CD-CD2 3.87Å; K671-L719 PolarHBondContact NZ-O 3.12Å; C714-L719 HydrophobicContact CB-CB 4.09Å; C714-L719 HydrophobicContact CB-CD1 4.43Å; C714-L719 PolarHBondContact O-N 2.82Å; E717-L719 HydrophobicContact CB-CG 4.26Å; E717-L719 PolarHBondContact O-N 2.93Å; E717-L719 VanDerWaalsContact O-N 3.15Å; L719-G721 PolarHBondContact O-N 3.25Å | ||
| 720 | F | 80.8 | Confident | 82 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -62.4 | 125.7 | 164.6 | -60.2 | -63.7 | 0 | 0 | 0 | 110.3 | I690 F711 C714 I715 F724 M725 A728 | I690-F720 HydrophobicContact CD1-CD1 4.19Å; I690-F720 HydrophobicContact CD1-CE1 3.94Å; I690-F720 HydrophobicContact CG1-CE1 4.01Å; F711-F720 HydrophobicContact CD1-CE2 4.42Å; F711-F720 HydrophobicContact CD2-CZ 4.12Å; F711-F720 HydrophobicContact CE1-CE2 4.27Å; F711-F720 HydrophobicContact CE1-CZ 4.42Å; F711-F720 AromaticContact CE2-CZ 3.88Å; F711-F720 HydrophobicContact CE2-CZ 3.88Å; F711-F720 HydrophobicContact CG-CZ 4.49Å; F711-F720 HydrophobicContact CZ-CE2 4.32Å; F711-F720 HydrophobicContact CZ-CZ 4.04Å; C714-F720 HydrophobicContact CB-CD2 3.88Å; C714-F720 HydrophobicContact CB-CE2 3.44Å; C714-F720 VanDerWaalsContact CB-CE2 3.44Å; C714-F720 HydrophobicContact CB-CZ 3.98Å; I715-F720 HydrophobicContact CG1-CD2 3.98Å; I715-F720 HydrophobicContact CG1-CE2 4.07Å; F720-F724 HydrophobicContact CB-CB 4.15Å; F720-F724 HydrophobicContact CD1-CB 4.33Å; F720-M725 HydrophobicContact CB-CE 4.35Å; F720-A728 HydrophobicContact CD1-CB 4.5Å; F720-A728 HydrophobicContact CD2-CB 3.57Å; F720-A728 HydrophobicContact CE2-CB 3.69Å; F720-A728 HydrophobicContact CG-CB 4.01Å; F720-A728 HydrophobicContact CZ-CB 4.23Å |
| 721 | G | 71.8 | Confident | 81.9 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | trans | -66.5 | 168.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L719 Q723 F724 M725 | L719-G721 PolarHBondContact O-N 3.25Å; G721-Q723 PolarHBondContact O-N 3.31Å; G721-Q723 VanDerWaalsContact O-N 3.08Å; G721-F724 PolarHBondContact O-N 3.25Å; G721-M725 PolarHBondContact O-N 3.37Å | ||
| 722 | P | 66.8 | Low | 81.9 | Confident | 127 Ų | 127 | 37.6 Ų | 37.6 | 83% | 0.825 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -49.6 | -38.2 | -179.2 | -28.2 | 35.5 | 0 | 0 | 0 | 114.1 | ||
| 723 | Q | 58.7 | Low | 81.8 | Confident | 114 Ų | 114 | 38.8 Ų | 38.8 | 53% | 0.533 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.8 | -28.9 | 177.8 | 70.8 | -81.9 | 44.5 | 0 | 0 | 114.1 | G721 | G721-Q723 PolarHBondContact O-N 3.31Å; G721-Q723 VanDerWaalsContact O-N 3.08Å |
| 724 | F | 72 | Confident | 81.6 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -100.3 | -18.7 | -178.7 | -63.3 | -58.7 | 0 | 0 | 0 | 113.6 | M627 L628 L631 I690 F720 G721 G726 V727 A728 | M627-F724 HydrophobicContact CB-CE1 4.45Å; L628-F724 HydrophobicContact CD1-CD1 4.22Å; L628-F724 HydrophobicContact CD1-CE1 3.71Å; L628-F724 HydrophobicContact CD1-CZ 4.33Å; L631-F724 HydrophobicContact CD1-CZ 4.01Å; L631-F724 HydrophobicContact CG-CZ 4.39Å; I690-F724 HydrophobicContact CD1-CB 4.43Å; I690-F724 HydrophobicContact CD1-CD1 4.31Å; F720-F724 HydrophobicContact CB-CB 4.15Å; F720-F724 HydrophobicContact CD1-CB 4.33Å; G721-F724 PolarHBondContact O-N 3.25Å; F724-G726 VanDerWaalsContact C-N 3.33Å; F724-G726 PolarHBondContact O-N 2.83Å; F724-V727 WeakPolarHBondContact O-CB 3.36Å; F724-V727 PolarHBondContact O-N 3.03Å; F724-V727 VanDerWaalsContact O-N 3.13Å; F724-A728 PolarHBondContact O-N 2.89Å |
| 725 | M | 81.9 | Confident | 81.6 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 179.9 | -175.1 | 60 | 72.9 | 0 | 0 | 112.1 | I715 R718 F720 G721 V727 A728 M729 | I715-M725 HydrophobicContact CB-SD 4.44Å; I715-M725 HydrophobicContact CG1-SD 4.39Å; I715-M725 HydrophobicContact CG2-SD 3.95Å; R718-M725 HydrophobicContact CB-CE 4.39Å; R718-M725 HydrophobicContact CG-CE 4.33Å; F720-M725 HydrophobicContact CB-CE 4.35Å; G721-M725 PolarHBondContact O-N 3.37Å; M725-V727 VanDerWaalsContact C-N 3.31Å; M725-V727 PolarHBondContact O-N 3.3Å; M725-A728 PolarHBondContact O-N 3.34Å; M725-M729 WeakPolarHBondContact O-CG 3.34Å; M725-M729 PolarHBondContact O-N 3.48Å; M725-M729 HydrophobicContact SD-CG 4.43Å |
| 726 | G | 76.3 | Confident | 81.6 | Confident | 43 Ų | 43 | 40.4 Ų | 40.4 | 44% | 0.443 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | F724 R730 | F724-G726 VanDerWaalsContact C-N 3.33Å; F724-G726 PolarHBondContact O-N 2.83Å; G726-R730 WeakPolarHBondContact O-CB 3.45Å; G726-R730 PolarHBondContact O-N 3Å |
| 727 | V | 76.5 | Confident | 81.4 | Confident | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -49.4 | 176.1 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | L620 D624 I690 F724 M725 M729 R730 L731 | L620-V727 HydrophobicContact CD2-CG1 3.54Å; D624-V727 HydrophobicContact CB-CG1 3.9Å; D624-V727 HydrophobicContact CB-CG2 3.78Å; I690-V727 HydrophobicContact CG2-CG1 4.46Å; F724-V727 WeakPolarHBondContact O-CB 3.36Å; F724-V727 PolarHBondContact O-N 3.03Å; F724-V727 VanDerWaalsContact O-N 3.13Å; M725-V727 VanDerWaalsContact C-N 3.31Å; M725-V727 PolarHBondContact O-N 3.3Å; V727-M729 VanDerWaalsContact C-N 3.34Å; V727-M729 PolarHBondContact O-N 3.32Å; V727-R730 WeakPolarHBondContact O-CB 3.42Å; V727-R730 PolarHBondContact O-N 3.07Å; V727-R730 VanDerWaalsContact O-N 3.07Å; V727-L731 HydrophobicContact CG1-CD1 4.36Å; V727-L731 HydrophobicContact CG1-CG 4.49Å; V727-L731 WeakPolarHBondContact O-CG 3.48Å; V727-L731 PolarHBondContact O-N 3.45Å |
| 728 | A | 85 | Confident | 81.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -42.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F711 I715 F720 F724 M725 V732 | F711-A728 HydrophobicContact CE1-CB 3.95Å; F711-A728 HydrophobicContact CZ-CB 4.01Å; I715-A728 HydrophobicContact CD1-CB 4.18Å; I715-A728 HydrophobicContact CG1-CB 4.09Å; F720-A728 HydrophobicContact CD1-CB 4.5Å; F720-A728 HydrophobicContact CD2-CB 3.57Å; F720-A728 HydrophobicContact CE2-CB 3.69Å; F720-A728 HydrophobicContact CG-CB 4.01Å; F720-A728 HydrophobicContact CZ-CB 4.23Å; F724-A728 PolarHBondContact O-N 2.89Å; M725-A728 PolarHBondContact O-N 3.34Å; A728-V732 WeakPolarHBondContact O-CG2 3.14Å; A728-V732 PolarHBondContact O-N 2.76Å |
| 729 | M | 87.7 | Confident | 81.2 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -38 | 174 | -67 | -165.5 | 80.5 | 0 | 0 | 112.7 | M725 V727 V732 M733 F755 H762 Y765 | M725-M729 WeakPolarHBondContact O-CG 3.34Å; M725-M729 PolarHBondContact O-N 3.48Å; M725-M729 HydrophobicContact SD-CG 4.43Å; V727-M729 VanDerWaalsContact C-N 3.34Å; V727-M729 PolarHBondContact O-N 3.32Å; M729-V732 PolarHBondContact O-N 3.32Å; M729-M733 PolarHBondContact O-N 3.46Å; M729-F755 HydrophobicContact CE-CE2 4.23Å; M729-H762 HydrophobicContact CE-CB 3.87Å; M729-Y765 HydrophobicContact CB-CE2 4.1Å; M729-Y765 HydrophobicContact CE-CD1 3.79Å; M729-Y765 HydrophobicContact CE-CD2 3.94Å; M729-Y765 HydrophobicContact CE-CE1 3.95Å; M729-Y765 HydrophobicContact CE-CE2 4.09Å; M729-Y765 HydrophobicContact CE-CG 3.79Å; M729-Y765 WeakPolarHBondContact O-CE2 3.36Å; M729-Y765 PolarHBondContact O-OH 2.93Å |
| 730 | R | 84.9 | Confident | 81 | Confident | 94 Ų | 94 | 47.4 Ų | 47.4 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.9 | -171 | -179.1 | -63.7 | 156 | -1.9 | 111.1 | S621 D624 G726 V727 V732 M733 D734 | S621-R730 PolarHBondContact OG-NH1 2.84Å; S621-R730 VanDerWaalsContact OG-NH1 3.13Å; D624-R730 IonicContact OD1-CZ 2.72Å; D624-R730 IonicContact OD1-NH1 3.56Å; D624-R730 PolarHBondContact OD1-NH1 3.31Å; D624-R730 IonicContact OD2-CZ 3.16Å; D624-R730 IonicContact OD2-NH1 2.68Å; D624-R730 PolarHBondContact OD2-NH1 3.2Å; G726-R730 WeakPolarHBondContact O-CB 3.45Å; G726-R730 PolarHBondContact O-N 3Å; V727-R730 WeakPolarHBondContact O-CB 3.42Å; V727-R730 PolarHBondContact O-N 3.07Å; V727-R730 VanDerWaalsContact O-N 3.07Å; R730-V732 PolarHBondContact O-N 3.3Å; R730-M733 WeakPolarHBondContact O-CB 3.06Å; R730-M733 PolarHBondContact O-N 3.33Å; R730-M733 VanDerWaalsContact O-N 3.12Å; R730-D734 PolarHBondContact O-N 3.07Å |
| 731 | L | 87.5 | Confident | 80.8 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.6 | -65.8 | 178.1 | 0 | 0 | 0 | 112.8 | L620 I690 F693 F711 V727 D734 A735 | L620-L731 HydrophobicContact CD2-CD1 4.43Å; L620-L731 HydrophobicContact CD2-CD2 4.16Å; I690-L731 HydrophobicContact CG2-CD1 4.19Å; F693-L731 HydrophobicContact CB-CD1 4.28Å; F693-L731 HydrophobicContact CD1-CD2 3.72Å; F693-L731 HydrophobicContact CD2-CB 4.02Å; F693-L731 HydrophobicContact CD2-CD1 4.32Å; F693-L731 HydrophobicContact CD2-CD2 4.48Å; F693-L731 HydrophobicContact CE1-CB 4.48Å; F693-L731 HydrophobicContact CE1-CD2 3.82Å; F693-L731 HydrophobicContact CE2-CB 3.83Å; F693-L731 HydrophobicContact CG-CB 4.43Å; F693-L731 HydrophobicContact CG-CD1 4.17Å; F693-L731 HydrophobicContact CG-CD2 4.07Å; F693-L731 HydrophobicContact CG-CG 4.45Å; F693-L731 HydrophobicContact CZ-CB 4.07Å; F693-L731 HydrophobicContact CZ-CD2 4.26Å; F693-L731 VanDerWaalsContact CZ-O 3.29Å; F693-L731 WeakPolarHBondContact CZ-O 3.17Å; F711-L731 HydrophobicContact CZ-CB 4.44Å; F711-L731 HydrophobicContact CZ-CD1 4.13Å; V727-L731 HydrophobicContact CG1-CD1 4.36Å; V727-L731 HydrophobicContact CG1-CG 4.49Å; V727-L731 WeakPolarHBondContact O-CG 3.48Å; V727-L731 PolarHBondContact O-N 3.45Å; L731-D734 PolarHBondContact O-N 3.45Å; L731-A735 VanDerWaalsContact O-CB 3.3Å; L731-A735 WeakPolarHBondContact O-CB 3.43Å; L731-A735 PolarHBondContact O-N 3.08Å |
| 732 | V | 91.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | F711 I715 A728 M729 R730 A735 L736 A751 F755 Y765 | F711-V732 HydrophobicContact CD1-CG2 4.12Å; F711-V732 HydrophobicContact CE1-CG2 3.96Å; I715-V732 HydrophobicContact CD1-CG2 3.98Å; A728-V732 WeakPolarHBondContact O-CG2 3.14Å; A728-V732 PolarHBondContact O-N 2.76Å; M729-V732 PolarHBondContact O-N 3.32Å; R730-V732 PolarHBondContact O-N 3.3Å; V732-A735 WeakPolarHBondContact O-CB 3.44Å; V732-A735 PolarHBondContact O-N 3.25Å; V732-L736 HydrophobicContact CG1-CD1 4.3Å; V732-L736 VanDerWaalsContact O-CG 3.31Å; V732-L736 WeakPolarHBondContact O-CG 3.44Å; V732-L736 PolarHBondContact O-N 2.87Å; V732-A751 HydrophobicContact CG1-CB 4.24Å; V732-A751 HydrophobicContact CG2-CB 3.92Å; V732-F755 HydrophobicContact CG1-CE1 4.35Å; V732-F755 HydrophobicContact CG1-CZ 4.21Å; V732-F755 HydrophobicContact CG2-CE1 4.44Å; V732-Y765 WeakPolarHBondContact CB-OH 3.4Å; V732-Y765 WeakPolarHBondContact CG1-OH 3.24Å |
| 733 | M | 87.8 | Confident | 82.4 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 175.1 | 176.7 | 169.5 | 54.6 | 0 | 0 | 112.6 | M729 R730 A735 L736 R737 Y765 T768 | M729-M733 PolarHBondContact O-N 3.46Å; R730-M733 WeakPolarHBondContact O-CB 3.06Å; R730-M733 PolarHBondContact O-N 3.33Å; R730-M733 VanDerWaalsContact O-N 3.12Å; M733-A735 VanDerWaalsContact C-N 3.33Å; M733-L736 PolarHBondContact O-N 3.42Å; M733-R737 WeakPolarHBondContact O-CG 3.48Å; M733-R737 PolarHBondContact O-N 2.67Å; M733-Y765 HydrophobicContact CB-CE2 3.75Å; M733-Y765 PolarHBondContact N-OH 3.39Å; M733-Y765 HydrophobicContact SD-CE2 4.41Å; M733-T768 HydrophobicContact SD-CG2 3.66Å |
| 734 | D | 84.4 | Confident | 83.8 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.3 | -26.9 | 177.2 | -71.4 | -42.3 | 0 | 0 | 0 | 112.9 | R730 L731 R737 | R730-D734 PolarHBondContact O-N 3.07Å; L731-D734 PolarHBondContact O-N 3.45Å; D734-R737 VanDerWaalsContact OD1-CD 3.31Å; D734-R737 WeakPolarHBondContact OD1-CD 3.37Å; D734-R737 IonicContact OD1-CZ 2.91Å; D734-R737 IonicContact OD1-NE 2.66Å; D734-R737 IonicContact OD1-NH1 3.25Å; D734-R737 PolarHBondContact OD1-NH1 3.47Å |
| 735 | A | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -46.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F693 L731 V732 M733 R737 R738 L744 F747 | F693-A735 HydrophobicContact CE2-CB 4.18Å; F693-A735 HydrophobicContact CZ-CB 4.05Å; L731-A735 VanDerWaalsContact O-CB 3.3Å; L731-A735 WeakPolarHBondContact O-CB 3.43Å; L731-A735 PolarHBondContact O-N 3.08Å; V732-A735 WeakPolarHBondContact O-CB 3.44Å; V732-A735 PolarHBondContact O-N 3.25Å; M733-A735 VanDerWaalsContact C-N 3.33Å; A735-R737 VanDerWaalsContact C-N 3.26Å; A735-R737 PolarHBondContact O-N 2.87Å; A735-R738 WeakPolarHBondContact O-CB 3.21Å; A735-R738 PolarHBondContact O-N 2.87Å; A735-L744 WeakPolarHBondContact CB-O 3.46Å; A735-F747 HydrophobicContact CB-CD1 3.9Å; A735-F747 HydrophobicContact CB-CE1 4.46Å |
| 736 | L | 88.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -23.1 | 176.4 | -72.8 | 172.3 | 0 | 0 | 0 | 114 | V732 M733 R738 G748 V749 L752 I769 I773 F779 | V732-L736 HydrophobicContact CG1-CD1 4.3Å; V732-L736 VanDerWaalsContact O-CG 3.31Å; V732-L736 WeakPolarHBondContact O-CG 3.44Å; V732-L736 PolarHBondContact O-N 2.87Å; M733-L736 PolarHBondContact O-N 3.42Å; L736-R738 VanDerWaalsContact C-N 3.26Å; L736-R738 PolarHBondContact O-N 3.02Å; L736-G748 VanDerWaalsContact CD2-C 3.49Å; L736-V749 HydrophobicContact CD2-CG2 3.76Å; L736-L752 HydrophobicContact CD1-CD1 4.36Å; L736-L752 HydrophobicContact CD1-CD2 4.13Å; L736-I769 HydrophobicContact CD1-CD1 4.3Å; L736-I773 HydrophobicContact CB-CD1 4.07Å; L736-I773 HydrophobicContact CB-CG2 4.37Å; L736-I773 WeakPolarHBondContact O-CG2 3.43Å; L736-F779 HydrophobicContact CD1-CZ 4.26Å; L736-F779 HydrophobicContact CD2-CE1 3.87Å; L736-F779 HydrophobicContact CD2-CZ 3.72Å |
| 737 | R | 85.5 | Confident | 85.7 | Confident | 122 Ų | 122 | 42.1 Ų | 42.1 | 46% | 0.46 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.5 | 174.4 | -77.4 | 168.5 | 174.1 | 168.6 | -4.8 | 113.9 | M733 D734 A735 I773 | M733-R737 WeakPolarHBondContact O-CG 3.48Å; M733-R737 PolarHBondContact O-N 2.67Å; D734-R737 VanDerWaalsContact OD1-CD 3.31Å; D734-R737 WeakPolarHBondContact OD1-CD 3.37Å; D734-R737 IonicContact OD1-CZ 2.91Å; D734-R737 IonicContact OD1-NE 2.66Å; D734-R737 IonicContact OD1-NH1 3.25Å; D734-R737 PolarHBondContact OD1-NH1 3.47Å; A735-R737 VanDerWaalsContact C-N 3.26Å; A735-R737 PolarHBondContact O-N 2.87Å; R737-I773 HydrophobicContact CB-CD1 4.38Å; R737-I773 HydrophobicContact CG-CD1 3.52Å |
| 738 | R | 85.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 41.8 Ų | 41.8 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -75.9 | 167.6 | 178.1 | -60.3 | -57.3 | -170.3 | 156.7 | 1.5 | 111.7 | T616 A735 L736 S742 L744 | T616-R738 PolarHBondContact O-NH2 3.05Å; A735-R738 WeakPolarHBondContact O-CB 3.21Å; A735-R738 PolarHBondContact O-N 2.87Å; L736-R738 VanDerWaalsContact C-N 3.26Å; L736-R738 PolarHBondContact O-N 3.02Å; R738-S742 WeakPolarHBondContact CB-OG 3.49Å; R738-L744 HydrophobicContact CB-CB 4.26Å; R738-L744 HydrophobicContact CG-CB 3.9Å; R738-L744 HydrophobicContact CG-CD1 4.08Å |
| 739 | E | 78.8 | Confident | 86.7 | Confident | 169 Ų | 169 | 43 Ų | 43 | 79% | 0.79 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -60.3 | 141.6 | -177.7 | -64.9 | -179.9 | 174.8 | 0 | 0 | 111.7 | G741 S742 F745 | E739-G741 PolarHBondContact O-N 2.94Å; E739-S742 WeakPolarHBondContact O-CB 3.41Å; E739-S742 PolarHBondContact O-N 3.43Å; E739-S742 PolarHBondContact O-OG 3.06Å; E739-F745 VanDerWaalsContact O-CB 3.26Å; E739-F745 WeakPolarHBondContact O-CB 3.28Å |
| 740 | V | 79.1 | Confident | 86.8 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 42% | 0.424 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 125.3 | -177.3 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | S742 F745 G775 N778 | V740-S742 VanDerWaalsContact C-N 3.34Å; V740-F745 HydrophobicContact CG1-CD1 4.46Å; V740-F745 HydrophobicContact CG1-CE1 4.05Å; V740-F745 HydrophobicContact CG1-CZ 4.37Å; V740-F745 HydrophobicContact CG2-CE2 4.16Å; V740-F745 HydrophobicContact CG2-CZ 4.14Å; V740-G775 VanDerWaalsContact CG2-CA 3.44Å; V740-N778 HydrophobicContact CG1-CB 3.88Å |
| 741 | G | 77.6 | Confident | 87.2 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 61% | 0.608 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 4.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E739 | E739-G741 PolarHBondContact O-N 2.94Š|
| 742 | S | 85.9 | Confident | 87.4 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 26% | 0.259 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -73.1 | 148.8 | 162 | 69.5 | 0 | 0 | 0 | 0 | 110.6 | R738 E739 V740 L744 F745 D746 | R738-S742 WeakPolarHBondContact CB-OG 3.49Å; E739-S742 WeakPolarHBondContact O-CB 3.41Å; E739-S742 PolarHBondContact O-N 3.43Å; E739-S742 PolarHBondContact O-OG 3.06Å; V740-S742 VanDerWaalsContact C-N 3.34Å; S742-L744 PolarHBondContact O-N 2.91Å; S742-L744 VanDerWaalsContact O-N 3.16Å; S742-F745 WeakPolarHBondContact O-CA 3.49Å; S742-F745 WeakPolarHBondContact O-CB 3.46Å; S742-F745 PolarHBondContact O-N 2.81Å; S742-F745 WeakPolarHBondContact OG-CB 3.41Å; S742-F745 PolarHBondContact OG-N 3.27Å; S742-D746 PolarHBondContact O-N 2.87Å |
| 743 | K | 86.1 | Confident | 87.3 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 30% | 0.3 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -49 | -41.3 | 175.8 | -85.2 | 178.2 | 175.8 | -174.1 | 0 | 113.8 | N697 E698 Y699 D701 L704 D746 F747 | N697-K743 WeakPolarHBondContact O-CD 3.31Å; N697-K743 PolarHBondContact O-NZ 3.19Å; E698-K743 PolarHBondContact O-NZ 2.85Å; Y699-K743 VanDerWaalsContact O-CE 3.3Å; Y699-K743 WeakPolarHBondContact O-CE 3.27Å; Y699-K743 PolarHBondContact O-NZ 2.95Å; D701-K743 VanDerWaalsContact OD1-CE 3.29Å; D701-K743 WeakPolarHBondContact OD1-CE 3.47Å; L704-K743 HydrophobicContact CD2-CB 3.55Å; L704-K743 HydrophobicContact CD2-CD 4.15Å; L704-K743 HydrophobicContact CD2-CG 3.79Å; K743-D746 PolarHBondContact O-N 2.8Å; K743-F747 PolarHBondContact O-N 3.3Å |
| 744 | L | 87.7 | Confident | 87.5 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -36.4 | 177.7 | -68.4 | 177.5 | 0 | 0 | 0 | 112.2 | F696 N697 A735 R738 S742 F747 G748 | F696-L744 HydrophobicContact CB-CD2 3.7Å; N697-L744 HydrophobicContact CB-CD1 4.46Å; N697-L744 HydrophobicContact CB-CG 4.44Å; A735-L744 WeakPolarHBondContact CB-O 3.46Å; R738-L744 HydrophobicContact CB-CB 4.26Å; R738-L744 HydrophobicContact CG-CB 3.9Å; R738-L744 HydrophobicContact CG-CD1 4.08Å; S742-L744 PolarHBondContact O-N 2.91Å; S742-L744 VanDerWaalsContact O-N 3.16Å; L744-F747 PolarHBondContact O-N 3.19Å; L744-G748 PolarHBondContact O-N 2.93Å |
| 745 | F | 89.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 172.6 | -177.2 | -90.9 | 0 | 0 | 0 | 111.4 | E739 V740 S742 F747 G748 V749 F779 | E739-F745 VanDerWaalsContact O-CB 3.26Å; E739-F745 WeakPolarHBondContact O-CB 3.28Å; V740-F745 HydrophobicContact CG1-CD1 4.46Å; V740-F745 HydrophobicContact CG1-CE1 4.05Å; V740-F745 HydrophobicContact CG1-CZ 4.37Å; V740-F745 HydrophobicContact CG2-CE2 4.16Å; V740-F745 HydrophobicContact CG2-CZ 4.14Å; S742-F745 WeakPolarHBondContact O-CA 3.49Å; S742-F745 WeakPolarHBondContact O-CB 3.46Å; S742-F745 PolarHBondContact O-N 2.81Å; S742-F745 WeakPolarHBondContact OG-CB 3.41Å; S742-F745 PolarHBondContact OG-N 3.27Å; F745-F747 PolarHBondContact O-N 2.96Å; F745-G748 PolarHBondContact O-N 3.07Å; F745-V749 HydrophobicContact CD1-CG2 4.1Å; F745-V749 HydrophobicContact CE1-CG2 3.69Å; F745-V749 HydrophobicContact CZ-CG2 3.95Å; F745-V749 WeakPolarHBondContact O-CG2 3.46Å; F745-V749 PolarHBondContact O-N 3.04Å; F745-F779 HydrophobicContact CE2-CE1 4.31Å; F745-F779 HydrophobicContact CZ-CD1 4.24Å; F745-F779 AromaticContact CZ-CE1 3.94Å; F745-F779 HydrophobicContact CZ-CE1 3.94Å |
| 746 | D | 87.8 | Confident | 87.8 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 31% | 0.31 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.2 | -44 | 174.5 | -87.6 | 25.5 | 0 | 0 | 0 | 112 | R705 S742 K743 G748 V749 I750 | R705-D746 IonicContact NH2-OD2 3.83Å; S742-D746 PolarHBondContact O-N 2.87Å; K743-D746 PolarHBondContact O-N 2.8Å; D746-G748 PolarHBondContact O-N 3.36Å; D746-V749 PolarHBondContact O-N 3.36Å; D746-I750 WeakPolarHBondContact O-CB 3.41Å; D746-I750 VanDerWaalsContact O-CG1 3.26Å; D746-I750 WeakPolarHBondContact O-CG1 3.44Å; D746-I750 PolarHBondContact O-N 3.2Å |
| 747 | F | 92.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 171.8 | 170.3 | -82.6 | 0 | 0 | 0 | 111.3 | F693 F696 L704 A708 F711 A735 K743 L744 F745 V749 I750 A751 | F693-F747 HydrophobicContact CD2-CE1 4.18Å; F693-F747 HydrophobicContact CD2-CZ 4.36Å; F693-F747 HydrophobicContact CE2-CD1 4.24Å; F693-F747 AromaticContact CE2-CE1 3.78Å; F693-F747 HydrophobicContact CE2-CE1 3.78Å; F693-F747 HydrophobicContact CE2-CZ 4.41Å; F696-F747 AromaticContact CD2-CD2 3.73Å; F696-F747 HydrophobicContact CD2-CD2 3.73Å; F696-F747 HydrophobicContact CD2-CE1 4.3Å; F696-F747 AromaticContact CD2-CE2 3.39Å; F696-F747 HydrophobicContact CD2-CE2 3.39Å; F696-F747 HydrophobicContact CD2-CG 4.33Å; F696-F747 AromaticContact CD2-CZ 3.73Å; F696-F747 HydrophobicContact CD2-CZ 3.73Å; F696-F747 HydrophobicContact CE2-CD2 4.13Å; F696-F747 HydrophobicContact CE2-CE1 4.42Å; F696-F747 AromaticContact CE2-CE2 3.32Å; F696-F747 HydrophobicContact CE2-CE2 3.32Å; F696-F747 AromaticContact CE2-CZ 3.51Å; F696-F747 HydrophobicContact CE2-CZ 3.51Å; F696-F747 HydrophobicContact CG-CE2 4.46Å; F696-F747 HydrophobicContact CZ-CE2 4.33Å; L704-F747 HydrophobicContact CD1-CB 4.1Å; L704-F747 HydrophobicContact CD1-CD2 3.84Å; L704-F747 HydrophobicContact CD1-CG 4.37Å; L704-F747 HydrophobicContact CG-CB 4.44Å; A708-F747 HydrophobicContact CB-CB 4.37Å; A708-F747 HydrophobicContact CB-CD2 3.49Å; A708-F747 VanDerWaalsContact CB-CD2 3.49Å; A708-F747 HydrophobicContact CB-CE2 3.94Å; A708-F747 HydrophobicContact CB-CG 4.05Å; F711-F747 HydrophobicContact CB-CE2 4.29Å; F711-F747 HydrophobicContact CB-CZ 4Å; F711-F747 HydrophobicContact CD1-CZ 4.06Å; F711-F747 HydrophobicContact CD2-CZ 4.27Å; F711-F747 AromaticContact CG-CZ 3.86Å; F711-F747 HydrophobicContact CG-CZ 3.86Å; A735-F747 HydrophobicContact CB-CD1 3.9Å; A735-F747 HydrophobicContact CB-CE1 4.46Å; K743-F747 PolarHBondContact O-N 3.3Å; L744-F747 PolarHBondContact O-N 3.19Å; F745-F747 PolarHBondContact O-N 2.96Å; F747-V749 PolarHBondContact O-N 3.18Å; F747-I750 PolarHBondContact O-N 3.31Å; F747-A751 HydrophobicContact CE1-CB 4.49Å; F747-A751 WeakPolarHBondContact O-CB 3.42Å; F747-A751 PolarHBondContact O-N 2.87Å |
| 748 | G | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L736 L744 F745 D746 L752 | L736-G748 VanDerWaalsContact CD2-C 3.49Å; L744-G748 PolarHBondContact O-N 2.93Å; F745-G748 PolarHBondContact O-N 3.07Å; D746-G748 PolarHBondContact O-N 3.36Å; G748-L752 VanDerWaalsContact O-CB 3.29Å; G748-L752 WeakPolarHBondContact O-CB 3.41Å; G748-L752 PolarHBondContact O-N 2.94Å |
| 749 | V | 91 | Very high | 87.6 | Confident | 26 Ų | 26 | 37 Ų | 37 | 16% | 0.158 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L736 F745 D746 F747 L752 E753 F779 L783 | L736-V749 HydrophobicContact CD2-CG2 3.76Å; F745-V749 HydrophobicContact CD1-CG2 4.1Å; F745-V749 HydrophobicContact CE1-CG2 3.69Å; F745-V749 HydrophobicContact CZ-CG2 3.95Å; F745-V749 WeakPolarHBondContact O-CG2 3.46Å; F745-V749 PolarHBondContact O-N 3.04Å; D746-V749 PolarHBondContact O-N 3.36Å; F747-V749 PolarHBondContact O-N 3.18Å; V749-L752 PolarHBondContact O-N 3.08Å; V749-E753 VanDerWaalsContact O-CB 3.32Å; V749-E753 WeakPolarHBondContact O-CB 3.18Å; V749-E753 PolarHBondContact O-N 3.35Å; V749-F779 HydrophobicContact CG2-CD1 4.01Å; V749-F779 HydrophobicContact CG2-CE1 3.81Å; V749-L783 HydrophobicContact CG1-CD2 3.94Å |
| 750 | I | 91.1 | Very high | 87.9 | Confident | 42 Ų | 42 | 32 Ų | 32 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -38.1 | -177.9 | -68.7 | 169.7 | 0 | 0 | 0 | 111.7 | R705 A708 D746 F747 E753 Q754 | R705-I750 HydrophobicContact CB-CD1 4.26Å; R705-I750 HydrophobicContact CG-CD1 3.64Å; A708-I750 HydrophobicContact CB-CB 3.85Å; A708-I750 HydrophobicContact CB-CG2 3.62Å; D746-I750 WeakPolarHBondContact O-CB 3.41Å; D746-I750 VanDerWaalsContact O-CG1 3.26Å; D746-I750 WeakPolarHBondContact O-CG1 3.44Å; D746-I750 PolarHBondContact O-N 3.2Å; F747-I750 PolarHBondContact O-N 3.31Å; I750-E753 PolarHBondContact O-N 3.38Å; I750-Q754 WeakPolarHBondContact O-CG 3.34Å; I750-Q754 PolarHBondContact O-N 3.06Å; I750-Q754 PolarHBondContact O-NE2 3.34Å |
| 751 | A | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V732 F747 E753 Q754 F755 | V732-A751 HydrophobicContact CG1-CB 4.24Å; V732-A751 HydrophobicContact CG2-CB 3.92Å; F747-A751 HydrophobicContact CE1-CB 4.49Å; F747-A751 WeakPolarHBondContact O-CB 3.42Å; F747-A751 PolarHBondContact O-N 2.87Å; A751-E753 VanDerWaalsContact C-N 3.27Å; A751-E753 PolarHBondContact O-N 2.97Å; A751-Q754 WeakPolarHBondContact O-CB 3.41Å; A751-Q754 PolarHBondContact O-N 3.3Å; A751-F755 WeakPolarHBondContact O-CD1 3.12Å; A751-F755 VanDerWaalsContact O-CE1 3.32Å; A751-F755 WeakPolarHBondContact O-CE1 3.37Å |
| 752 | L | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -36.9 | 176.6 | -161.3 | 77.5 | 0 | 0 | 0 | 112.3 | L736 G748 V749 Q754 F755 K756 L759 Y765 I769 F779 L783 V787 | L736-L752 HydrophobicContact CD1-CD1 4.36Å; L736-L752 HydrophobicContact CD1-CD2 4.13Å; G748-L752 VanDerWaalsContact O-CB 3.29Å; G748-L752 WeakPolarHBondContact O-CB 3.41Å; G748-L752 PolarHBondContact O-N 2.94Å; V749-L752 PolarHBondContact O-N 3.08Å; L752-Q754 VanDerWaalsContact C-N 3.25Å; L752-Q754 PolarHBondContact O-N 3.03Å; L752-F755 HydrophobicContact CD1-CE2 4.03Å; L752-F755 HydrophobicContact CD1-CZ 3.81Å; L752-F755 PolarHBondContact O-N 2.94Å; L752-K756 PolarHBondContact O-N 3.41Å; L752-K756 VanDerWaalsContact O-N 3.12Å; L752-L759 HydrophobicContact CD1-CD1 4.44Å; L752-L759 HydrophobicContact CD1-CD2 3.74Å; L752-L759 HydrophobicContact CG-CD1 4.3Å; L752-L759 HydrophobicContact CG-CD2 4.46Å; L752-Y765 HydrophobicContact CD1-CE1 3.82Å; L752-I769 HydrophobicContact CD1-CD1 3.94Å; L752-I769 HydrophobicContact CD2-CD1 4.06Å; L752-F779 HydrophobicContact CD2-CD2 4.39Å; L752-F779 HydrophobicContact CD2-CE2 3.58Å; L752-F779 HydrophobicContact CD2-CZ 4.1Å; L752-L783 HydrophobicContact CB-CD1 4.5Å; L752-L783 HydrophobicContact CD2-CD1 4.03Å; L752-L783 HydrophobicContact CD2-CD2 4.13Å; L752-L783 HydrophobicContact CD2-CG 4.17Å; L752-L783 HydrophobicContact CG-CD1 4.13Å; L752-V787 HydrophobicContact CD2-CG2 4.13Å |
| 753 | E | 89.5 | Confident | 88.2 | Confident | 50 Ų | 50 | 32.2 Ų | 32.2 | 23% | 0.234 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.5 | -20.7 | 177 | -171.6 | 84.7 | -111.9 | 0 | 0 | 112.7 | V749 I750 A751 K756 S780 | V749-E753 VanDerWaalsContact O-CB 3.32Å; V749-E753 WeakPolarHBondContact O-CB 3.18Å; V749-E753 PolarHBondContact O-N 3.35Å; I750-E753 PolarHBondContact O-N 3.38Å; A751-E753 VanDerWaalsContact C-N 3.27Å; A751-E753 PolarHBondContact O-N 2.97Å; E753-K756 PolarHBondContact O-NZ 3.34Å; E753-K756 WeakPolarHBondContact OE1-CE 3.49Å; E753-K756 IonicContact OE1-NZ 2.67Å; E753-K756 PolarHBondContact OE1-NZ 3.14Å; E753-S780 PolarHBondContact OE2-OG 3.41Å |
| 754 | Q | 91.2 | Very high | 87.9 | Confident | 56 Ų | 56 | 34.3 Ų | 34.3 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -78.5 | -41.9 | 174.6 | -57.2 | -52.5 | -58.5 | 0 | 0 | 113.6 | G712 S713 R716 I750 A751 L752 | G712-Q754 VanDerWaalsContact C-CB 3.49Å; S713-Q754 PolarHBondContact OG-OE1 3.41Å; R716-Q754 WeakPolarHBondContact CD-O 3.41Å; R716-Q754 PolarHBondContact NE-O 3.07Å; I750-Q754 WeakPolarHBondContact O-CG 3.34Å; I750-Q754 PolarHBondContact O-N 3.06Å; I750-Q754 PolarHBondContact O-NE2 3.34Å; A751-Q754 WeakPolarHBondContact O-CB 3.41Å; A751-Q754 PolarHBondContact O-N 3.3Å; L752-Q754 VanDerWaalsContact C-N 3.25Å; L752-Q754 PolarHBondContact O-N 3.03Å |
| 755 | F | 90.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -105.2 | 21.9 | -177.1 | 67.3 | -91.9 | 0 | 0 | 0 | 112.8 | I715 R716 M729 V732 A751 L752 S757 D758 L759 Y765 | I715-F755 HydrophobicContact CB-CD1 3.98Å; I715-F755 HydrophobicContact CB-CE1 4.37Å; I715-F755 HydrophobicContact CB-CG 4.24Å; I715-F755 HydrophobicContact CD1-CD1 4.09Å; I715-F755 HydrophobicContact CD1-CE1 3.63Å; I715-F755 HydrophobicContact CD1-CZ 4.1Å; I715-F755 HydrophobicContact CG2-CB 4.11Å; I715-F755 HydrophobicContact CG2-CD1 3.86Å; I715-F755 HydrophobicContact CG2-CD2 3.9Å; I715-F755 HydrophobicContact CG2-CE1 4.19Å; I715-F755 HydrophobicContact CG2-CE2 4.22Å; I715-F755 HydrophobicContact CG2-CG 3.71Å; I715-F755 HydrophobicContact CG2-CZ 4.36Å; R716-F755 HydrophobicContact CB-CB 3.98Å; M729-F755 HydrophobicContact CE-CE2 4.23Å; V732-F755 HydrophobicContact CG1-CE1 4.35Å; V732-F755 HydrophobicContact CG1-CZ 4.21Å; V732-F755 HydrophobicContact CG2-CE1 4.44Å; A751-F755 WeakPolarHBondContact O-CD1 3.12Å; A751-F755 VanDerWaalsContact O-CE1 3.32Å; A751-F755 WeakPolarHBondContact O-CE1 3.37Å; L752-F755 HydrophobicContact CD1-CE2 4.03Å; L752-F755 HydrophobicContact CD1-CZ 3.81Å; L752-F755 PolarHBondContact O-N 2.94Å; F755-S757 PolarHBondContact O-N 3.13Å; F755-S757 VanDerWaalsContact O-N 3.14Å; F755-D758 WeakPolarHBondContact O-CA 3.48Å; F755-D758 WeakPolarHBondContact O-CB 3.15Å; F755-D758 PolarHBondContact O-N 3.04Å; F755-L759 HydrophobicContact CD2-CD2 4.17Å; F755-L759 HydrophobicContact CE2-CD2 3.84Å; F755-Y765 HydrophobicContact CE2-CE1 4.47Å |
| 756 | K | 89.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -57.7 | -28.8 | -177.9 | 60.5 | 177 | 171.3 | -96.6 | 0 | 114.4 | L752 E753 D758 L759 L783 Y786 | L752-K756 PolarHBondContact O-N 3.41Å; L752-K756 VanDerWaalsContact O-N 3.12Å; E753-K756 PolarHBondContact O-NZ 3.34Å; E753-K756 WeakPolarHBondContact OE1-CE 3.49Å; E753-K756 IonicContact OE1-NZ 2.67Å; E753-K756 PolarHBondContact OE1-NZ 3.14Å; K756-D758 PolarHBondContact O-N 3.28Å; K756-L759 HydrophobicContact CB-CD1 4.11Å; K756-L759 WeakPolarHBondContact O-CB 3.1Å; K756-L759 PolarHBondContact O-N 2.62Å; K756-L783 HydrophobicContact CB-CD1 4.05Å; K756-Y786 HydrophobicContact CB-CD1 4.22Å; K756-Y786 HydrophobicContact CB-CD2 4.48Å; K756-Y786 HydrophobicContact CB-CG 4.04Å; K756-Y786 HydrophobicContact CD-CD2 3.8Å; K756-Y786 HydrophobicContact CD-CE2 3.99Å; K756-Y786 HydrophobicContact CD-CG 4.21Å; K756-Y786 HydrophobicContact CG-CD1 4.43Å; K756-Y786 HydrophobicContact CG-CD2 4.34Å; K756-Y786 HydrophobicContact CG-CG 4.31Å; K756-Y786 WeakPolarHBondContact O-CD1 3.39Å |
| 757 | S | 83.4 | Confident | 87.7 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 28% | 0.28 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -60.4 | -26.5 | 171.3 | 48 | 0 | 0 | 0 | 0 | 113.9 | F755 K760 | F755-S757 PolarHBondContact O-N 3.13Å; F755-S757 VanDerWaalsContact O-N 3.14Å; S757-K760 WeakPolarHBondContact O-CD 3.34Å; S757-K760 WeakPolarHBondContact O-CE 3.42Å; S757-K760 PolarHBondContact O-NZ 3.16Å |
| 758 | D | 85.5 | Confident | 87.3 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -101.8 | -6.3 | -168.9 | -59.8 | 18.1 | 0 | 0 | 0 | 110.8 | F755 K756 K760 L761 H762 | F755-D758 WeakPolarHBondContact O-CA 3.48Å; F755-D758 WeakPolarHBondContact O-CB 3.15Å; F755-D758 PolarHBondContact O-N 3.04Å; K756-D758 PolarHBondContact O-N 3.28Å; D758-K760 PolarHBondContact O-N 3Å; D758-L761 HydrophobicContact CB-CD1 4.26Å; D758-L761 WeakPolarHBondContact O-CA 3.42Å; D758-L761 WeakPolarHBondContact O-CB 3.27Å; D758-L761 WeakPolarHBondContact O-CG 3.41Å; D758-L761 PolarHBondContact O-N 3.28Å; D758-H762 PolarHBondContact O-CD2 3.32Å |
| 759 | L | 86.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -58.7 | -29.2 | 175.9 | -70.8 | 176.4 | 0 | 0 | 0 | 113 | L752 F755 K756 L761 H762 Y765 C766 V787 | L752-L759 HydrophobicContact CD1-CD1 4.44Å; L752-L759 HydrophobicContact CD1-CD2 3.74Å; L752-L759 HydrophobicContact CG-CD1 4.3Å; L752-L759 HydrophobicContact CG-CD2 4.46Å; F755-L759 HydrophobicContact CD2-CD2 4.17Å; F755-L759 HydrophobicContact CE2-CD2 3.84Å; K756-L759 HydrophobicContact CB-CD1 4.11Å; K756-L759 WeakPolarHBondContact O-CB 3.1Å; K756-L759 PolarHBondContact O-N 2.62Å; L759-L761 PolarHBondContact O-N 2.91Å; L759-H762 CarbonylContact O-C 3.54Å; L759-H762 VanDerWaalsContact O-C 3.27Å; L759-H762 WeakPolarHBondContact O-CA 3.42Å; L759-H762 PolarHBondContact O-N 2.93Å; L759-Y765 HydrophobicContact CD2-CD1 4.23Å; L759-Y765 HydrophobicContact CD2-CE1 4.36Å; L759-C766 PolarHBondContact O-SG 3.26Å; L759-C766 VanDerWaalsContact O-SG 3.36Å; L759-V787 HydrophobicContact CD1-CG2 3.89Å |
| 760 | K | 84.9 | Confident | 86.8 | Confident | 63 Ų | 63 | 38 Ų | 38 | 27% | 0.274 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -63.2 | -21.2 | 170.6 | 69.6 | -164.5 | 172.7 | -149.9 | 0 | 114.3 | S757 D758 H762 D795 | S757-K760 WeakPolarHBondContact O-CD 3.34Å; S757-K760 WeakPolarHBondContact O-CE 3.42Å; S757-K760 PolarHBondContact O-NZ 3.16Å; D758-K760 PolarHBondContact O-N 3Å; K760-H762 VanDerWaalsContact C-N 3.33Å; K760-D795 WeakPolarHBondContact CD-OD1 3.48Å; K760-D795 WeakPolarHBondContact CD-OD2 3.49Å; K760-D795 IonicContact NZ-OD1 2.8Å; K760-D795 PolarHBondContact NZ-OD1 3.27Å; K760-D795 IonicContact NZ-OD2 3.45Å; K760-D795 PolarHBondContact NZ-OD2 3.35Å |
| 761 | L | 83.4 | Confident | 86.3 | Confident | 93 Ų | 93 | 39.5 Ų | 39.5 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -82.3 | -14.7 | 172 | -49.4 | 177.7 | 0 | 0 | 0 | 111.8 | D758 L759 P763 | D758-L761 HydrophobicContact CB-CD1 4.26Å; D758-L761 WeakPolarHBondContact O-CA 3.42Å; D758-L761 WeakPolarHBondContact O-CB 3.27Å; D758-L761 WeakPolarHBondContact O-CG 3.41Å; D758-L761 PolarHBondContact O-N 3.28Å; L759-L761 PolarHBondContact O-N 2.91Å; L761-P763 WeakPolarHBondContact O-CD 3.42Å |
| 762 | H | 84 | Confident | 85.6 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 30% | 0.296 | 22% | 0.216 | S | C | . | . | trans | -124.9 | 54.7 | -177.6 | -56.2 | -68.8 | 0 | 0 | 0 | 113 | M729 D758 L759 K760 R764 Y765 C766 | M729-H762 HydrophobicContact CE-CB 3.87Å; D758-H762 PolarHBondContact O-CD2 3.32Å; L759-H762 CarbonylContact O-C 3.54Å; L759-H762 VanDerWaalsContact O-C 3.27Å; L759-H762 WeakPolarHBondContact O-CA 3.42Å; L759-H762 PolarHBondContact O-N 2.93Å; K760-H762 VanDerWaalsContact C-N 3.33Å; H762-R764 VanDerWaalsContact C-N 3.34Å; H762-R764 PolarHBondContact O-N 2.92Å; H762-Y765 WeakPolarHBondContact O-CA 3.38Å; H762-Y765 WeakPolarHBondContact O-CB 3.14Å; H762-Y765 PolarHBondContact O-N 3.42Å; H762-C766 PolarHBondContact O-N 3Å | ||
| 763 | P | 82 | Confident | 85.1 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.3 | -38.1 | -178.4 | 22 | -35.7 | 0 | 0 | 0 | 114.4 | P600 L761 Y765 C766 Q767 G790 | P600-P763 HydrophobicContact CB-CB 4.12Å; P600-P763 HydrophobicContact CB-CG 3.46Å; P600-P763 VanDerWaalsContact CB-CG 3.46Å; P600-P763 HydrophobicContact CG-CB 3.66Å; P600-P763 HydrophobicContact CG-CG 3.38Å; L761-P763 WeakPolarHBondContact O-CD 3.42Å; P763-Y765 VanDerWaalsContact C-N 3.29Å; P763-Y765 PolarHBondContact O-N 3.46Å; P763-C766 PolarHBondContact O-N 2.87Å; P763-Q767 WeakPolarHBondContact O-CB 3.46Å; P763-Q767 PolarHBondContact O-N 3.41Å; P763-G790 WeakPolarHBondContact CA-O 3.38Å; P763-G790 WeakPolarHBondContact CB-O 3.41Å |
| 764 | R | 80.2 | Confident | 84.3 | Confident | 113 Ų | 113 | 46.7 Ų | 46.7 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 173.1 | -68.4 | -169.7 | 175.9 | -176.4 | -2.7 | 112 | P600 P601 S602 Y603 H762 Q767 T768 | P600-R764 WeakPolarHBondContact O-CG 3.49Å; P600-R764 PolarHBondContact O-NE 3.36Å; P601-R764 VanDerWaalsContact C-NE 3.33Å; P601-R764 VanDerWaalsContact C-NH2 3.34Å; P601-R764 PolarHBondContact O-NE 3.24Å; P601-R764 PolarHBondContact O-NH2 3.22Å; S602-R764 PolarHBondContact O-NH1 2.85Å; Y603-R764 HydrophobicContact CD2-CB 4.24Å; Y603-R764 HydrophobicContact CE2-CB 4.06Å; H762-R764 VanDerWaalsContact C-N 3.34Å; H762-R764 PolarHBondContact O-N 2.92Å; R764-Q767 PolarHBondContact O-N 3.22Å; R764-T768 PolarHBondContact O-N 2.7Å; R764-T768 PolarHBondContact O-OG1 2.84Å; R764-T768 VanDerWaalsContact O-OG1 3.08Å |
| 765 | Y | 87.7 | Confident | 83.5 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.2 | -43.8 | 178.8 | -174.9 | -98.3 | 0 | 0 | 0 | 110.6 | M729 V732 M733 L752 F755 L759 H762 P763 Q767 T768 I769 | M729-Y765 HydrophobicContact CB-CE2 4.1Å; M729-Y765 HydrophobicContact CE-CD1 3.79Å; M729-Y765 HydrophobicContact CE-CD2 3.94Å; M729-Y765 HydrophobicContact CE-CE1 3.95Å; M729-Y765 HydrophobicContact CE-CE2 4.09Å; M729-Y765 HydrophobicContact CE-CG 3.79Å; M729-Y765 WeakPolarHBondContact O-CE2 3.36Å; M729-Y765 PolarHBondContact O-OH 2.93Å; V732-Y765 WeakPolarHBondContact CB-OH 3.4Å; V732-Y765 WeakPolarHBondContact CG1-OH 3.24Å; M733-Y765 HydrophobicContact CB-CE2 3.75Å; M733-Y765 PolarHBondContact N-OH 3.39Å; M733-Y765 HydrophobicContact SD-CE2 4.41Å; L752-Y765 HydrophobicContact CD1-CE1 3.82Å; F755-Y765 HydrophobicContact CE2-CE1 4.47Å; L759-Y765 HydrophobicContact CD2-CD1 4.23Å; L759-Y765 HydrophobicContact CD2-CE1 4.36Å; H762-Y765 WeakPolarHBondContact O-CA 3.38Å; H762-Y765 WeakPolarHBondContact O-CB 3.14Å; H762-Y765 PolarHBondContact O-N 3.42Å; P763-Y765 VanDerWaalsContact C-N 3.29Å; P763-Y765 PolarHBondContact O-N 3.46Å; Y765-Q767 VanDerWaalsContact C-N 3.33Å; Y765-Q767 PolarHBondContact O-N 3.09Å; Y765-T768 PolarHBondContact O-N 3.38Å; Y765-I769 HydrophobicContact CD1-CD1 3.8Å; Y765-I769 HydrophobicContact CE1-CD1 3.63Å; Y765-I769 WeakPolarHBondContact O-CG1 3.49Å; Y765-I769 PolarHBondContact O-N 3.39Å |
| 766 | C | 87.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 171.4 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | L759 H762 P763 I769 I770 V787 V791 | L759-C766 PolarHBondContact O-SG 3.26Å; L759-C766 VanDerWaalsContact O-SG 3.36Å; H762-C766 PolarHBondContact O-N 3Å; P763-C766 PolarHBondContact O-N 2.87Å; C766-I769 PolarHBondContact O-N 3.04Å; C766-I770 PolarHBondContact O-N 2.77Å; C766-V787 HydrophobicContact CB-CG1 4.23Å; C766-V791 HydrophobicContact CB-CG2 3.58Å |
| 767 | Q | 85.5 | Confident | 82.8 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.4 | -168.3 | 179.9 | 32.1 | 0 | 0 | 110.8 | P763 R764 Y765 I770 S771 V791 | P763-Q767 WeakPolarHBondContact O-CB 3.46Å; P763-Q767 PolarHBondContact O-N 3.41Å; R764-Q767 PolarHBondContact O-N 3.22Å; Y765-Q767 VanDerWaalsContact C-N 3.33Å; Y765-Q767 PolarHBondContact O-N 3.09Å; Q767-I770 PolarHBondContact O-N 2.8Å; Q767-S771 WeakPolarHBondContact O-CB 3.49Å; Q767-S771 PolarHBondContact O-N 3.25Å; Q767-S771 VanDerWaalsContact O-N 3.08Å; Q767-S771 PolarHBondContact O-OG 2.76Å; Q767-V791 HydrophobicContact CB-CG2 4.34Å |
| 768 | T | 83 | Confident | 82.7 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 14% | 0.135 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 172.3 | -56.9 | 0 | 0 | 0 | 0 | 112 | M733 R764 Y765 S771 H772 | M733-T768 HydrophobicContact SD-CG2 3.66Å; R764-T768 PolarHBondContact O-N 2.7Å; R764-T768 PolarHBondContact O-OG1 2.84Å; R764-T768 VanDerWaalsContact O-OG1 3.08Å; Y765-T768 PolarHBondContact O-N 3.38Å; T768-S771 PolarHBondContact O-N 2.96Å; T768-S771 PolarHBondContact O-OG 3.31Å; T768-H772 HydrophobicContact CG2-CB 4.27Å; T768-H772 WeakPolarHBondContact O-CB 3.45Å; T768-H772 PolarHBondContact O-N 3.08Å |
| 769 | I | 86.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59 | -51.3 | 175.2 | -70.7 | 168.6 | 0 | 0 | 0 | 111.1 | L736 L752 Y765 C766 S771 I773 F776 F779 V787 | L736-I769 HydrophobicContact CD1-CD1 4.3Å; L752-I769 HydrophobicContact CD1-CD1 3.94Å; L752-I769 HydrophobicContact CD2-CD1 4.06Å; Y765-I769 HydrophobicContact CD1-CD1 3.8Å; Y765-I769 HydrophobicContact CE1-CD1 3.63Å; Y765-I769 WeakPolarHBondContact O-CG1 3.49Å; Y765-I769 PolarHBondContact O-N 3.39Å; C766-I769 PolarHBondContact O-N 3.04Å; I769-S771 VanDerWaalsContact C-N 3.31Å; I769-S771 PolarHBondContact O-N 3.44Å; I769-I773 HydrophobicContact CB-CG1 4.41Å; I769-I773 HydrophobicContact CG1-CG1 4.43Å; I769-I773 HydrophobicContact CG2-CG1 4.42Å; I769-I773 VanDerWaalsContact O-CB 3.31Å; I769-I773 WeakPolarHBondContact O-CB 3.27Å; I769-I773 PolarHBondContact O-N 2.75Å; I769-F776 HydrophobicContact CG2-CD2 3.87Å; I769-F776 HydrophobicContact CG2-CE2 4.49Å; I769-F779 HydrophobicContact CG2-CE2 3.81Å; I769-F779 HydrophobicContact CG2-CZ 4.1Å; I769-V787 HydrophobicContact CB-CG1 4.23Å; I769-V787 HydrophobicContact CG2-CG1 3.91Å |
| 770 | I | 85.4 | Confident | 82.6 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -33.6 | -178.3 | -62.7 | -175.2 | 0 | 0 | 0 | 112.2 | C766 Q767 F776 V787 Q788 V791 | C766-I770 PolarHBondContact O-N 2.77Å; Q767-I770 PolarHBondContact O-N 2.8Å; I770-F776 HydrophobicContact CD1-CZ 4.28Å; I770-F776 HydrophobicContact CG1-CE1 4.17Å; I770-F776 HydrophobicContact CG1-CE2 4.12Å; I770-F776 HydrophobicContact CG1-CZ 3.92Å; I770-F776 HydrophobicContact CG2-CE1 4.49Å; I770-V787 HydrophobicContact CD1-CG1 4.08Å; I770-V787 HydrophobicContact CG1-CG1 3.72Å; I770-Q788 HydrophobicContact CD1-CG 3.94Å; I770-V791 HydrophobicContact CD1-CG2 3.81Å |
| 771 | S | 79.7 | Confident | 82.3 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 51% | 0.51 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -93.5 | -23.4 | -172.8 | 54.7 | 0 | 0 | 0 | 0 | 115.6 | Q767 T768 I769 | Q767-S771 WeakPolarHBondContact O-CB 3.49Å; Q767-S771 PolarHBondContact O-N 3.25Å; Q767-S771 VanDerWaalsContact O-N 3.08Å; Q767-S771 PolarHBondContact O-OG 2.76Å; T768-S771 PolarHBondContact O-N 2.96Å; T768-S771 PolarHBondContact O-OG 3.31Å; I769-S771 VanDerWaalsContact C-N 3.31Å; I769-S771 PolarHBondContact O-N 3.44Å |
| 772 | H | 77.4 | Confident | 82.2 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 38% | 0.384 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -128.7 | 0.2 | -170.5 | -66.6 | 80.2 | 0 | 0 | 0 | 115.1 | T768 | T768-H772 HydrophobicContact CG2-CB 4.27Å; T768-H772 WeakPolarHBondContact O-CB 3.45Å; T768-H772 PolarHBondContact O-N 3.08Å |
| 773 | I | 81.9 | Confident | 82.3 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -107.9 | 107.3 | 178.9 | -56.3 | -63.5 | 0 | 0 | 0 | 110.6 | L736 R737 I769 G775 F776 | L736-I773 HydrophobicContact CB-CD1 4.07Å; L736-I773 HydrophobicContact CB-CG2 4.37Å; L736-I773 WeakPolarHBondContact O-CG2 3.43Å; R737-I773 HydrophobicContact CB-CD1 4.38Å; R737-I773 HydrophobicContact CG-CD1 3.52Å; I769-I773 HydrophobicContact CB-CG1 4.41Å; I769-I773 HydrophobicContact CG1-CG1 4.43Å; I769-I773 HydrophobicContact CG2-CG1 4.42Å; I769-I773 VanDerWaalsContact O-CB 3.31Å; I769-I773 WeakPolarHBondContact O-CB 3.27Å; I769-I773 PolarHBondContact O-N 2.75Å; I773-G775 PolarHBondContact O-N 2.93Å; I773-F776 WeakPolarHBondContact O-CB 3.23Å; I773-F776 PolarHBondContact O-N 3.14Å; I773-F776 VanDerWaalsContact O-N 3.13Å | ||
| 774 | P | 73.5 | Confident | 82.5 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 71% | 0.708 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -57.8 | -33.6 | 179.8 | -25.2 | 34.6 | 0 | 0 | 0 | 113.3 | F776 | P774-F776 VanDerWaalsContact C-N 3.28Å; P774-F776 PolarHBondContact O-N 2.72Å |
| 775 | G | 75.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -76.8 | 1.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V740 I773 N777 N778 F779 | V740-G775 VanDerWaalsContact CG2-CA 3.44Å; I773-G775 PolarHBondContact O-N 2.93Å; G775-N777 PolarHBondContact O-N 2.69Å; G775-N777 VanDerWaalsContact O-N 3.15Å; G775-N778 WeakPolarHBondContact O-CB 3.36Å; G775-N778 PolarHBondContact O-N 3.42Å; G775-F779 WeakPolarHBondContact O-CD1 3.27Å |
| 776 | F | 84.8 | Confident | 82.9 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -56.1 | -32.9 | 177.9 | 176.9 | -111.7 | 0 | 0 | 0 | 112.3 | I769 I770 I773 P774 N778 F779 K784 V787 Q788 | I769-F776 HydrophobicContact CG2-CD2 3.87Å; I769-F776 HydrophobicContact CG2-CE2 4.49Å; I770-F776 HydrophobicContact CD1-CZ 4.28Å; I770-F776 HydrophobicContact CG1-CE1 4.17Å; I770-F776 HydrophobicContact CG1-CE2 4.12Å; I770-F776 HydrophobicContact CG1-CZ 3.92Å; I770-F776 HydrophobicContact CG2-CE1 4.49Å; I773-F776 WeakPolarHBondContact O-CB 3.23Å; I773-F776 PolarHBondContact O-N 3.14Å; I773-F776 VanDerWaalsContact O-N 3.13Å; P774-F776 VanDerWaalsContact C-N 3.28Å; P774-F776 PolarHBondContact O-N 2.72Å; F776-N778 PolarHBondContact O-N 3.05Å; F776-F779 AromaticContact CD2-CD2 3.82Å; F776-F779 HydrophobicContact CD2-CD2 3.82Å; F776-F779 AromaticContact CD2-CE2 3.96Å; F776-F779 HydrophobicContact CD2-CE2 3.96Å; F776-F779 HydrophobicContact CD2-CG 4.38Å; F776-F779 HydrophobicContact CE2-CD2 4.18Å; F776-F779 PolarHBondContact O-N 2.83Å; F776-K784 HydrophobicContact CE2-CG 4.15Å; F776-K784 HydrophobicContact CZ-CB 4.35Å; F776-K784 HydrophobicContact CZ-CG 4.15Å; F776-K784 WeakPolarHBondContact O-CE 3.48Å; F776-V787 HydrophobicContact CD2-CG1 4.5Å; F776-V787 HydrophobicContact CE2-CB 4.04Å; F776-V787 HydrophobicContact CE2-CG1 3.79Å; F776-V787 HydrophobicContact CZ-CG1 4.48Å; F776-Q788 HydrophobicContact CZ-CG 4.1Å |
| 777 | N | 79.9 | Confident | 82.9 | Confident | 126 Ų | 126 | 55.5 Ų | 55.5 | 67% | 0.674 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -65.4 | -15.2 | 174.9 | -75 | -33.4 | 0 | 0 | 0 | 114.3 | G775 K784 | G775-N777 PolarHBondContact O-N 2.69Å; G775-N777 VanDerWaalsContact O-N 3.15Å; N777-K784 WeakPolarHBondContact O-CE 3.35Å; N777-K784 PolarHBondContact O-NZ 3.49Å |
| 778 | N | 81.4 | Confident | 83.1 | Confident | 107 Ų | 107 | 55.8 Ų | 55.8 | 57% | 0.572 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -99.6 | -5.1 | -179.9 | -68.3 | 69 | 0 | 0 | 0 | 113.6 | V740 G775 F776 | V740-N778 HydrophobicContact CG1-CB 3.88Å; G775-N778 WeakPolarHBondContact O-CB 3.36Å; G775-N778 PolarHBondContact O-N 3.42Å; F776-N778 PolarHBondContact O-N 3.05Å |
| 779 | F | 86.6 | Confident | 83.1 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -62.7 | 153.4 | 175.6 | -74 | 16.6 | 0 | 0 | 0 | 111.9 | L736 F745 V749 L752 I769 G775 F776 L783 K784 V787 | L736-F779 HydrophobicContact CD1-CZ 4.26Å; L736-F779 HydrophobicContact CD2-CE1 3.87Å; L736-F779 HydrophobicContact CD2-CZ 3.72Å; F745-F779 HydrophobicContact CE2-CE1 4.31Å; F745-F779 HydrophobicContact CZ-CD1 4.24Å; F745-F779 AromaticContact CZ-CE1 3.94Å; F745-F779 HydrophobicContact CZ-CE1 3.94Å; V749-F779 HydrophobicContact CG2-CD1 4.01Å; V749-F779 HydrophobicContact CG2-CE1 3.81Å; L752-F779 HydrophobicContact CD2-CD2 4.39Å; L752-F779 HydrophobicContact CD2-CE2 3.58Å; L752-F779 HydrophobicContact CD2-CZ 4.1Å; I769-F779 HydrophobicContact CG2-CE2 3.81Å; I769-F779 HydrophobicContact CG2-CZ 4.1Å; G775-F779 WeakPolarHBondContact O-CD1 3.27Å; F776-F779 AromaticContact CD2-CD2 3.82Å; F776-F779 HydrophobicContact CD2-CD2 3.82Å; F776-F779 AromaticContact CD2-CE2 3.96Å; F776-F779 HydrophobicContact CD2-CE2 3.96Å; F776-F779 HydrophobicContact CD2-CG 4.38Å; F776-F779 HydrophobicContact CE2-CD2 4.18Å; F776-F779 PolarHBondContact O-N 2.83Å; F779-L783 HydrophobicContact CB-CB 4.48Å; F779-L783 HydrophobicContact CB-CD2 4.41Å; F779-L783 HydrophobicContact CD2-CD2 3.93Å; F779-L783 HydrophobicContact CD2-CG 3.95Å; F779-L783 HydrophobicContact CE2-CD2 4.43Å; F779-L783 HydrophobicContact CG-CD2 4.16Å; F779-K784 HydrophobicContact CB-CD 4.48Å; F779-K784 HydrophobicContact CB-CG 3.73Å; F779-K784 WeakPolarHBondContact O-CE 3.4Å; F779-K784 PolarHBondContact O-NZ 3.45Å; F779-V787 HydrophobicContact CE2-CG2 4.39Å |
| 780 | S | 83.3 | Confident | 82.9 | Confident | 50 Ų | 50 | 55 Ų | 55 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | trans | -58.1 | 151.3 | 173.2 | 77.6 | 0 | 0 | 0 | 0 | 110.8 | E753 L782 L783 K784 | E753-S780 PolarHBondContact OE2-OG 3.41Å; S780-L782 PolarHBondContact O-N 2.85Å; S780-L783 PolarHBondContact O-N 3.24Å; S780-L783 VanDerWaalsContact O-N 3.13Å; S780-L783 WeakPolarHBondContact OG-CB 3.33Å; S780-L783 PolarHBondContact OG-N 2.92Å; S780-L783 VanDerWaalsContact OG-N 3.14Å; S780-K784 WeakPolarHBondContact O-CG 3.5Å; S780-K784 PolarHBondContact O-N 3.34Å | ||
| 781 | K | 78.9 | Confident | 82.8 | Confident | 155 Ų | 155 | 53.8 Ų | 53.8 | 67% | 0.674 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55 | -44.3 | -179.3 | -176.3 | 177.9 | -176.5 | -82.4 | 0 | 111.1 | K784 E785 | K781-K784 PolarHBondContact O-N 2.98Å; K781-E785 WeakPolarHBondContact CE-OE1 3.29Å; K781-E785 WeakPolarHBondContact CG-OE1 3.38Å; K781-E785 IonicContact NZ-OE1 3.09Å; K781-E785 PolarHBondContact NZ-OE1 2.95Å; K781-E785 VanDerWaalsContact O-CG 3.31Å; K781-E785 WeakPolarHBondContact O-CG 3.5Å; K781-E785 PolarHBondContact O-N 2.9Å |
| 782 | L | 80.2 | Confident | 82.9 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 176.4 | -169.8 | 68.4 | 0 | 0 | 0 | 111.8 | S780 K784 E785 Y786 | S780-L782 PolarHBondContact O-N 2.85Å; L782-K784 VanDerWaalsContact C-N 3.33Å; L782-K784 PolarHBondContact O-N 2.9Å; L782-E785 WeakPolarHBondContact O-CB 3.27Å; L782-E785 PolarHBondContact O-N 2.8Å; L782-E785 VanDerWaalsContact O-N 3.16Å; L782-Y786 HydrophobicContact CD1-CD2 4.21Å; L782-Y786 HydrophobicContact CD1-CE2 3.87Å; L782-Y786 HydrophobicContact CG-CD2 4.03Å; L782-Y786 HydrophobicContact CG-CE2 3.98Å; L782-Y786 WeakPolarHBondContact O-CD2 3.25Å; L782-Y786 PolarHBondContact O-N 2.88Å |
| 783 | L | 87.4 | Confident | 83 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -33.9 | -178.7 | -169.6 | 61 | 0 | 0 | 0 | 112.4 | V749 L752 K756 F779 S780 V787 | V749-L783 HydrophobicContact CG1-CD2 3.94Å; L752-L783 HydrophobicContact CB-CD1 4.5Å; L752-L783 HydrophobicContact CD2-CD1 4.03Å; L752-L783 HydrophobicContact CD2-CD2 4.13Å; L752-L783 HydrophobicContact CD2-CG 4.17Å; L752-L783 HydrophobicContact CG-CD1 4.13Å; K756-L783 HydrophobicContact CB-CD1 4.05Å; F779-L783 HydrophobicContact CB-CB 4.48Å; F779-L783 HydrophobicContact CB-CD2 4.41Å; F779-L783 HydrophobicContact CD2-CD2 3.93Å; F779-L783 HydrophobicContact CD2-CG 3.95Å; F779-L783 HydrophobicContact CE2-CD2 4.43Å; F779-L783 HydrophobicContact CG-CD2 4.16Å; S780-L783 PolarHBondContact O-N 3.24Å; S780-L783 VanDerWaalsContact O-N 3.13Å; S780-L783 WeakPolarHBondContact OG-CB 3.33Å; S780-L783 PolarHBondContact OG-N 2.92Å; S780-L783 VanDerWaalsContact OG-N 3.14Å; L783-V787 VanDerWaalsContact O-CG2 3.31Å; L783-V787 WeakPolarHBondContact O-CG2 3.39Å; L783-V787 PolarHBondContact O-N 2.86Å |
| 784 | K | 86.9 | Confident | 82.7 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 169.9 | -72.4 | 171.8 | 173.5 | 142 | 0 | 111.8 | F776 N777 F779 S780 K781 L782 V787 Q788 | F776-K784 HydrophobicContact CE2-CG 4.15Å; F776-K784 HydrophobicContact CZ-CB 4.35Å; F776-K784 HydrophobicContact CZ-CG 4.15Å; F776-K784 WeakPolarHBondContact O-CE 3.48Å; N777-K784 WeakPolarHBondContact O-CE 3.35Å; N777-K784 PolarHBondContact O-NZ 3.49Å; F779-K784 HydrophobicContact CB-CD 4.48Å; F779-K784 HydrophobicContact CB-CG 3.73Å; F779-K784 WeakPolarHBondContact O-CE 3.4Å; F779-K784 PolarHBondContact O-NZ 3.45Å; S780-K784 WeakPolarHBondContact O-CG 3.5Å; S780-K784 PolarHBondContact O-N 3.34Å; K781-K784 PolarHBondContact O-N 2.98Å; L782-K784 VanDerWaalsContact C-N 3.33Å; L782-K784 PolarHBondContact O-N 2.9Å; K784-V787 PolarHBondContact O-N 3.25Å; K784-Q788 VanDerWaalsContact O-CB 3.31Å; K784-Q788 WeakPolarHBondContact O-CB 3.29Å; K784-Q788 VanDerWaalsContact O-CG 3.26Å; K784-Q788 WeakPolarHBondContact O-CG 3.5Å; K784-Q788 PolarHBondContact O-N 3.48Å |
| 785 | E | 85.7 | Confident | 82.7 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.5 | -72.6 | 163.5 | 176 | 0 | 0 | 111 | K781 L782 Q788 A789 P796 | K781-E785 WeakPolarHBondContact CE-OE1 3.29Å; K781-E785 WeakPolarHBondContact CG-OE1 3.38Å; K781-E785 IonicContact NZ-OE1 3.09Å; K781-E785 PolarHBondContact NZ-OE1 2.95Å; K781-E785 VanDerWaalsContact O-CG 3.31Å; K781-E785 WeakPolarHBondContact O-CG 3.5Å; K781-E785 PolarHBondContact O-N 2.9Å; L782-E785 WeakPolarHBondContact O-CB 3.27Å; L782-E785 PolarHBondContact O-N 2.8Å; L782-E785 VanDerWaalsContact O-N 3.16Å; E785-Q788 PolarHBondContact O-N 2.97Å; E785-A789 WeakPolarHBondContact O-CB 3.45Å; E785-A789 PolarHBondContact O-N 3.47Å; E785-P796 HydrophobicContact CB-CB 3.9Å; E785-P796 HydrophobicContact CB-CG 4.46Å |
| 786 | Y | 89.6 | Confident | 82.4 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.4 | -88 | -83.8 | 0 | 0 | 0 | 113.5 | K756 L782 G790 P796 | K756-Y786 HydrophobicContact CB-CD1 4.22Å; K756-Y786 HydrophobicContact CB-CD2 4.48Å; K756-Y786 HydrophobicContact CB-CG 4.04Å; K756-Y786 HydrophobicContact CD-CD2 3.8Å; K756-Y786 HydrophobicContact CD-CE2 3.99Å; K756-Y786 HydrophobicContact CD-CG 4.21Å; K756-Y786 HydrophobicContact CG-CD1 4.43Å; K756-Y786 HydrophobicContact CG-CD2 4.34Å; K756-Y786 HydrophobicContact CG-CG 4.31Å; K756-Y786 WeakPolarHBondContact O-CD1 3.39Å; L782-Y786 HydrophobicContact CD1-CD2 4.21Å; L782-Y786 HydrophobicContact CD1-CE2 3.87Å; L782-Y786 HydrophobicContact CG-CD2 4.03Å; L782-Y786 HydrophobicContact CG-CE2 3.98Å; L782-Y786 WeakPolarHBondContact O-CD2 3.25Å; L782-Y786 PolarHBondContact O-N 2.88Å; Y786-G790 PolarHBondContact O-N 2.91Å; Y786-P796 VanDerWaalsContact CD1-CD 3.49Å; Y786-P796 HydrophobicContact CD1-CG 3.82Å; Y786-P796 HydrophobicContact CD2-CG 3.68Å; Y786-P796 HydrophobicContact CE1-CG 3.87Å; Y786-P796 HydrophobicContact CE2-CG 3.72Å; Y786-P796 HydrophobicContact CG-CG 3.73Å |
| 787 | V | 88.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | L752 L759 C766 I769 I770 F776 F779 L783 K784 G790 V791 | L752-V787 HydrophobicContact CD2-CG2 4.13Å; L759-V787 HydrophobicContact CD1-CG2 3.89Å; C766-V787 HydrophobicContact CB-CG1 4.23Å; I769-V787 HydrophobicContact CB-CG1 4.23Å; I769-V787 HydrophobicContact CG2-CG1 3.91Å; I770-V787 HydrophobicContact CD1-CG1 4.08Å; I770-V787 HydrophobicContact CG1-CG1 3.72Å; F776-V787 HydrophobicContact CD2-CG1 4.5Å; F776-V787 HydrophobicContact CE2-CB 4.04Å; F776-V787 HydrophobicContact CE2-CG1 3.79Å; F776-V787 HydrophobicContact CZ-CG1 4.48Å; F779-V787 HydrophobicContact CE2-CG2 4.39Å; L783-V787 VanDerWaalsContact O-CG2 3.31Å; L783-V787 WeakPolarHBondContact O-CG2 3.39Å; L783-V787 PolarHBondContact O-N 2.86Å; K784-V787 PolarHBondContact O-N 3.25Å; V787-G790 PolarHBondContact O-N 3.05Å; V787-V791 PolarHBondContact O-N 3.43Å |
| 788 | Q | 88.2 | Confident | 79 | Confident | 86 Ų | 86 | 65 Ų | 65 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.4 | -26.4 | 178.6 | -73.2 | 175.6 | -13.9 | 0 | 0 | 113.7 | I770 F776 K784 E785 R792 | I770-Q788 HydrophobicContact CD1-CG 3.94Å; F776-Q788 HydrophobicContact CZ-CG 4.1Å; K784-Q788 VanDerWaalsContact O-CB 3.31Å; K784-Q788 WeakPolarHBondContact O-CB 3.29Å; K784-Q788 VanDerWaalsContact O-CG 3.26Å; K784-Q788 WeakPolarHBondContact O-CG 3.5Å; K784-Q788 PolarHBondContact O-N 3.48Å; E785-Q788 PolarHBondContact O-N 2.97Å; Q788-R792 PolarHBondContact O-NE 2.73Å; Q788-R792 VanDerWaalsContact O-NE 3.12Å; Q788-R792 PolarHBondContact O-NH2 3.38Å |
| 789 | A | 83.4 | Confident | 76.6 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -79.4 | -38.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E785 V791 R792 S793 E794 P796 | E785-A789 WeakPolarHBondContact O-CB 3.45Å; E785-A789 PolarHBondContact O-N 3.47Å; A789-V791 VanDerWaalsContact C-N 3.32Å; A789-V791 PolarHBondContact O-N 3.35Å; A789-R792 CarbonylContact O-C 3.35Å; A789-R792 WeakPolarHBondContact O-CA 3.38Å; A789-R792 WeakPolarHBondContact O-CB 3.28Å; A789-R792 PolarHBondContact O-N 3.43Å; A789-S793 PolarHBondContact O-N 3.08Å; A789-E794 CarbonylContact C-O 3.39Å; A789-E794 HydrophobicContact CB-CB 4.36Å; A789-E794 WeakPolarHBondContact CB-O 3.47Å; A789-E794 PolarHBondContact O-N 3.3Å; A789-P796 HydrophobicContact CB-CB 4.09Å |
| 790 | G | 83 | Confident | 73.8 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.9 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P763 Y786 V787 R792 S793 | P763-G790 WeakPolarHBondContact CA-O 3.38Å; P763-G790 WeakPolarHBondContact CB-O 3.41Å; Y786-G790 PolarHBondContact O-N 2.91Å; V787-G790 PolarHBondContact O-N 3.05Å; G790-R792 PolarHBondContact O-N 3.45Å; G790-S793 PolarHBondContact O-N 2.9Å |
| 791 | V | 82.5 | Confident | 71.1 | Confident | 45 Ų | 45 | 74.9 Ų | 74.9 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -32.3 | 171.8 | 174.9 | 0 | 0 | 0 | 0 | 112.8 | C766 Q767 I770 V787 A789 S793 | C766-V791 HydrophobicContact CB-CG2 3.58Å; Q767-V791 HydrophobicContact CB-CG2 4.34Å; I770-V791 HydrophobicContact CD1-CG2 3.81Å; V787-V791 PolarHBondContact O-N 3.43Å; A789-V791 VanDerWaalsContact C-N 3.32Å; A789-V791 PolarHBondContact O-N 3.35Å; V791-S793 VanDerWaalsContact C-N 3.32Å |
| 792 | R | 83.4 | Confident | 68.5 | Low | 144 Ų | 144 | 71.5 Ų | 71.5 | 54% | 0.543 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.9 | 175.1 | -75.2 | 167.9 | -82.4 | -173.4 | -3.9 | 113.2 | Q788 A789 G790 E794 | Q788-R792 PolarHBondContact O-NE 2.73Å; Q788-R792 VanDerWaalsContact O-NE 3.12Å; Q788-R792 PolarHBondContact O-NH2 3.38Å; A789-R792 CarbonylContact O-C 3.35Å; A789-R792 WeakPolarHBondContact O-CA 3.38Å; A789-R792 WeakPolarHBondContact O-CB 3.28Å; A789-R792 PolarHBondContact O-N 3.43Å; G790-R792 PolarHBondContact O-N 3.45Å; R792-E794 VanDerWaalsContact C-N 3.27Å; R792-E794 HydrophobicContact CB-CB 4.36Å; R792-E794 HydrophobicContact CB-CG 3.98Å; R792-E794 WeakPolarHBondContact CB-OE2 3.27Å; R792-E794 WeakPolarHBondContact CD-OE2 3.33Å; R792-E794 IonicContact NE-OE2 3.41Å |
| 793 | S | 79.1 | Confident | 65.8 | Low | 53 Ų | 53 | 72.5 Ų | 72.5 | 37% | 0.371 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 30.1 | -169.4 | -39.6 | 0 | 0 | 0 | 0 | 113.4 | P600 A789 G790 V791 | P600-S793 WeakPolarHBondContact CG-OG 3.45Å; A789-S793 PolarHBondContact O-N 3.08Å; G790-S793 PolarHBondContact O-N 2.9Å; V791-S793 VanDerWaalsContact C-N 3.32Å |
| 794 | E | 76 | Confident | 62.8 | Low | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 47% | 0.466 | S | S | . | . | trans | -113.4 | 157 | -178.1 | -64.3 | 175.8 | 144.5 | 0 | 0 | 111.1 | A789 R792 | A789-E794 CarbonylContact C-O 3.39Å; A789-E794 HydrophobicContact CB-CB 4.36Å; A789-E794 WeakPolarHBondContact CB-O 3.47Å; A789-E794 PolarHBondContact O-N 3.3Å; R792-E794 VanDerWaalsContact C-N 3.27Å; R792-E794 HydrophobicContact CB-CB 4.36Å; R792-E794 HydrophobicContact CB-CG 3.98Å; R792-E794 WeakPolarHBondContact CB-OE2 3.27Å; R792-E794 WeakPolarHBondContact CD-OE2 3.33Å; R792-E794 IonicContact NE-OE2 3.41Å | ||
| 795 | D | 72.5 | Confident | 59.8 | Low | 77 Ų | 77 | 86.2 Ų | 86.2 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | trans | -81.1 | 148.1 | 159.6 | -70.5 | -67.2 | 0 | 0 | 0 | 109.7 | K760 V797 | K760-D795 WeakPolarHBondContact CD-OD1 3.48Å; K760-D795 WeakPolarHBondContact CD-OD2 3.49Å; K760-D795 IonicContact NZ-OD1 2.8Å; K760-D795 PolarHBondContact NZ-OD1 3.27Å; K760-D795 IonicContact NZ-OD2 3.45Å; K760-D795 PolarHBondContact NZ-OD2 3.35Å; D795-V797 PolarHBondContact O-N 2.89Å | ||
| 796 | P | 69.9 | Low | 57 | Low | 22 Ų | 22 | 88.7 Ų | 88.7 | 14% | 0.143 | 52% | 0.516 | C | S | . | . | trans | -66.3 | 125.6 | 176.2 | 27 | -32.7 | 0 | 0 | 0 | 110.6 | E785 Y786 A789 T798 | E785-P796 HydrophobicContact CB-CB 3.9Å; E785-P796 HydrophobicContact CB-CG 4.46Å; Y786-P796 VanDerWaalsContact CD1-CD 3.49Å; Y786-P796 HydrophobicContact CD1-CG 3.82Å; Y786-P796 HydrophobicContact CD2-CG 3.68Å; Y786-P796 HydrophobicContact CE1-CG 3.87Å; Y786-P796 HydrophobicContact CE2-CG 3.72Å; Y786-P796 HydrophobicContact CG-CG 3.73Å; A789-P796 HydrophobicContact CB-CB 4.09Å; P796-T798 PolarHBondContact O-N 2.89Å | ||
| 797 | V | 53.5 | Low | 54 | Low | 146 Ų | 146 | 91.9 Ų | 91.9 | 89% | 0.885 | 54% | 0.542 | S | S | * | . | trans | -60.8 | 103.9 | -176.2 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | D795 A799 | D795-V797 PolarHBondContact O-N 2.89Å; V797-A799 PolarHBondContact O-N 3.14Å | ||
| 798 | T | 39 | Very low | 51.4 | Low | 124 Ų | 124 | 96.8 Ų | 96.8 | 76% | 0.761 | 57% | 0.574 | S | S | * | * | trans | -68.9 | 101.6 | 178.7 | 8.4 | 0 | 0 | 0 | 0 | 110.5 | P796 A800 | P796-T798 PolarHBondContact O-N 2.89Å; T798-A800 PolarHBondContact O-N 3.14Å | ||
| 799 | A | 30.2 | Very low | 48.4 | Very low | 100 Ų | 100 | 100.8 Ų | 100.8 | 83% | 0.826 | 59% | 0.59 | S | S | * | * | trans | -69.1 | 71.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V797 L801 | V797-A799 PolarHBondContact O-N 3.14Å; A799-L801 VanDerWaalsContact C-N 3.32Å; A799-L801 PolarHBondContact O-N 2.93Å | ||
| 800 | A | 27.8 | Very low | 45.7 | Very low | 94 Ų | 94 | 108.6 Ų | 108.6 | 78% | 0.777 | 63% | 0.626 | S | S | * | * | trans | -78.8 | 74.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T798 | T798-A800 PolarHBondContact O-N 3.14Š| ||
| 801 | L | 26.6 | Very low | 43.3 | Very low | 177 Ų | 177 | 112.5 Ų | 112.5 | 93% | 0.927 | 66% | 0.658 | S | S | * | * | trans | -139.4 | 102 | 170.8 | -98.4 | 162.4 | 0 | 0 | 0 | 108.9 | A799 | A799-L801 VanDerWaalsContact C-N 3.32Å; A799-L801 PolarHBondContact O-N 2.93Å | ||
| 802 | G | 26 | Very low | 41 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 88% | 0.876 | 68% | 0.679 | S | S | * | * | trans | -164.5 | 78 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 803 | S | 23.7 | Very low | 38.2 | Very low | 103 Ų | 103 | 113.5 Ų | 113.5 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | trans | -95 | 134.2 | 158.2 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 804 | T | 23.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | 52.5 | 115.8 | 153.6 | 50.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 805 | R | 24.4 | Very low | 33.1 | Very low | 232 Ų | 232 | 119.9 Ų | 119.9 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | trans | 70.3 | 151.7 | 143.6 | -61.7 | 177.2 | 169.6 | 165.2 | -4.4 | 116.7 | ||||
| 806 | T | 26.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -161.9 | 143.3 | -10.4 | 15 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 807 | T | 26.9 | Very low | 28.5 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 9.1 | 162.5 | 141.2 | 60.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 808 | P | 33.9 | Very low | 27 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -143.5 | -149.8 | -40.4 | 42.8 | -22.4 | 0 | 0 | 0 | 112.4 | ||||
| 809 | F | 24.7 | Very low | 26.3 | Very low | 170 Ų | 170 | 129 Ų | 129 | 75% | 0.746 | 77% | 0.766 | S | S | * | * | trans | 74.8 | 151.2 | 161.2 | -87.6 | -143.8 | 0 | 0 | 0 | 117.7 | ||||
| 810 | E | 26 | Very low | 26 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | cis | -151.6 | -177.2 | -3.4 | -140.8 | 168.9 | 177.3 | 0 | 0 | 112.1 | ||||
| 811 | A | 32.2 | Very low | 25.7 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -138.1 | -155.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 812 | P | 34.5 | Very low | 25.6 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | cis | -135.1 | -157.9 | -18.1 | 38.9 | -17.7 | 0 | 0 | 0 | 113.4 | ||||
| 813 | S | 24.2 | Very low | 25.7 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 75.2 | 155 | 155 | -67.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 814 | Q | 25.5 | Very low | 25.7 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | cis | -162.4 | 166.6 | -0.6 | -125.1 | 178.1 | 7.1 | 0 | 0 | 113.4 | ||||
| 815 | V | 23.6 | Very low | 25.8 | Very low | 106 Ų | 106 | 131 Ų | 131 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | trans | 72.9 | 103.5 | 148.6 | 175.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 816 | Q | 22.9 | Very low | 25.8 | Very low | 174 Ų | 174 | 125.9 Ų | 125.9 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | 55.9 | 143.5 | 125.3 | -56.1 | 177.7 | -28.2 | 0 | 0 | 126.3 | |||||
| 817 | S | 22.5 | Very low | 25.8 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 84.5 | 113.5 | 135.7 | 49.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 818 | Q | 22.7 | Very low | 25.7 | Very low | 186 Ų | 186 | 124.9 Ų | 124.9 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | 71.6 | 105.6 | 130.4 | -65.3 | -176.3 | -7 | 0 | 0 | 122.6 | ||||
| 819 | A | 22.9 | Very low | 25.4 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | 83 | 144.8 | 123.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 820 | A | 24.1 | Very low | 25.6 | Very low | 85 Ų | 85 | 125.4 Ų | 125.4 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 74.5 | 110.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 821 | I | 23.2 | Very low | 25.7 | Very low | 180 Ų | 180 | 122 Ų | 122 | 92% | 0.923 | 75% | 0.752 | S | S | * | * | trans | 61.5 | 119.9 | 136.7 | -49.9 | 163.9 | 0 | 0 | 0 | 118.2 | ||||
| 822 | G | 24.3 | Very low | 25.3 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 160.2 | 131.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 823 | A | 26.3 | Very low | 24.9 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -101.7 | 163.5 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 824 | S | 25.2 | Very low | 24.9 | Very low | 83 Ų | 83 | 127 Ų | 127 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | trans | 96.1 | 145 | 132.4 | -128.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 825 | F | 25.4 | Very low | 24.9 | Very low | 186 Ų | 186 | 124 Ų | 124 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | 69.7 | 154.8 | 153.7 | -58.2 | -45 | 0 | 0 | 0 | 119 | ||||
| 826 | T | 24.7 | Very low | 24.9 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | cis | -160.7 | 154 | -1.2 | 1.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 827 | A | 25.9 | Very low | 25 | Very low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 56.2 | 156.4 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 828 | T | 24.4 | Very low | 25.3 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | cis | -127.2 | -163.6 | 16.5 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 829 | N | 28.6 | Very low | 25.5 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | cis | -154.6 | -163.7 | 9.4 | -151.3 | 0.5 | 0 | 0 | 0 | 112.8 | ||||
| 830 | I | 28.3 | Very low | 25.6 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -135.4 | 172.6 | -175.6 | -3.4 | 177.9 | 0 | 0 | 0 | 108 | ||||
| 831 | P | 29 | Very low | 25.7 | Very low | 96 Ų | 96 | 122 Ų | 122 | 62% | 0.623 | 75% | 0.75 | S | S | * | * | cis | -144.7 | 162.8 | 26.1 | 43.8 | -24.1 | 0 | 0 | 0 | 119.9 | ||||
| 832 | Q | 23.9 | Very low | 25.7 | Very low | 171 Ų | 171 | 118.4 Ų | 118.4 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | 58 | 153.3 | 138.4 | -67.7 | 163.6 | -29.7 | 0 | 0 | 120.5 | ||||
| 833 | L | 24.5 | Very low | 25.9 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | -152.8 | 143.9 | 16.2 | -160.5 | 77.2 | 0 | 0 | 0 | 112.8 | ||||
| 834 | A | 25.1 | Very low | 25.9 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | trans | 25.3 | 143.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 835 | S | 24.6 | Very low | 26 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 62.2 | 142.3 | 137 | 53.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 836 | T | 24.7 | Very low | 26 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | cis | -158.2 | 176.2 | -22.3 | -52 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 837 | D | 24.9 | Very low | 26.1 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 78.8 | 150 | 167.8 | -54.6 | -52.5 | 0 | 0 | 0 | 118 | ||||
| 838 | T | 27.8 | Very low | 26 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -138.5 | 142.3 | -147.7 | 59.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 839 | P | 28.3 | Very low | 26.1 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | -151.8 | -173.8 | 103.7 | 36.8 | -17.3 | 0 | 0 | 0 | 115.8 | |||||
| 840 | V | 24.9 | Very low | 25.8 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | trans | 82.6 | 147.1 | 163.5 | -172.4 | 0 | 0 | 0 | 0 | 118.3 | A1169 | V840-A1169 HydrophobicContact CB-CB 4.47Å; V840-A1169 HydrophobicContact CG1-CB 3.87Å | ||
| 841 | A | 25.6 | Very low | 25.8 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | trans | -75.7 | 161.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 842 | S | 24.3 | Very low | 26 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | 169.5 | 137.3 | 118.6 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 843 | R | 28 | Very low | 27.4 | Very low | 259 Ų | 259 | 121.9 Ų | 121.9 | 98% | 0.977 | 73% | 0.732 | S | S | * | * | trans | -164.8 | 131.9 | 142.7 | -123.5 | 174.9 | -178.3 | 168.2 | 2.9 | 112.1 | ||||
| 844 | A | 25.3 | Very low | 29 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | trans | -122 | 149.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 845 | T | 28.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 115.8 Ų | 115.8 | 92% | 0.92 | 69% | 0.689 | S | S | * | * | trans | -146.1 | 140.5 | 168.5 | 16.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 846 | T | 25 | Very low | 33.4 | Very low | 100 Ų | 100 | 113.1 Ų | 113.1 | 61% | 0.613 | 67% | 0.667 | S | S | * | * | trans | -87.3 | 144.6 | -164.9 | 47.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 847 | K | 25.4 | Very low | 35.8 | Very low | 178 Ų | 178 | 108.6 Ų | 108.6 | 77% | 0.774 | 64% | 0.639 | S | S | * | * | trans | -179.6 | 158.9 | 135.5 | -100.8 | 165.3 | -174.8 | -169.1 | 0 | 113.5 | ||||
| 848 | P | 24.7 | Very low | 38.3 | Very low | 112 Ų | 112 | 101.6 Ų | 101.6 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | trans | -76.9 | 163.4 | -160.4 | 32.3 | -37.7 | 0 | 0 | 0 | 113.7 | R1908 | P848-R1908 PolarHBondContact O-NH1 3.48Š| ||
| 849 | S | 26.9 | Very low | 40.4 | Very low | 83 Ų | 83 | 95.3 Ų | 95.3 | 58% | 0.58 | 56% | 0.563 | S | S | * | * | trans | -148.2 | 142.1 | 176.9 | -154.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 850 | V | 22.9 | Very low | 42.3 | Very low | 123 Ų | 123 | 92.5 Ų | 92.5 | 75% | 0.745 | 54% | 0.542 | S | S | * | . | trans | -136.7 | 134.2 | 176 | 175.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 851 | T | 28.4 | Very low | 44.1 | Very low | 133 Ų | 133 | 88.4 Ų | 88.4 | 82% | 0.816 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 52.7 | 71.3 | 168.8 | 55.9 | 0 | 0 | 0 | 0 | 118.7 | ||
| 852 | T | 33.3 | Very low | 46 | Very low | 138 Ų | 138 | 84.8 Ų | 84.8 | 85% | 0.847 | 49% | 0.49 | S | S | * | . | trans | -149.7 | 128.3 | 143.8 | -37.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 853 | T | 52.9 | Low | 47.6 | Very low | 39 Ų | 39 | 84.4 Ų | 84.4 | 24% | 0.239 | 48% | 0.48 | C | S | . | . | trans | -93.4 | 119.8 | 175.7 | 42.7 | 0 | 0 | 0 | 0 | 109.8 | I855 T971 | T853-I855 PolarHBondContact O-N 3.47Å; T853-T971 HydrophobicContact CG2-CG2 3.43Å; T853-T971 VanDerWaalsContact CG2-CG2 3.43Å | ||
| 854 | N | 58.4 | Low | 48.6 | Very low | 73 Ų | 73 | 76.5 Ų | 76.5 | 39% | 0.39 | 45% | 0.452 | S | S | . | . | trans | -71.8 | 112.3 | 176.6 | -172.9 | 8.7 | 0 | 0 | 0 | 110 | D856 S968 L972 | N854-D856 PolarHBondContact ND2-OD2 3.27Å; N854-D856 PolarHBondContact O-N 2.92Å; N854-D856 VanDerWaalsContact OD1-CG 3.32Å; N854-D856 PolarHBondContact OD1-N 3.32Å; N854-D856 PolarHBondContact OD1-OD2 3.39Å; N854-S968 WeakPolarHBondContact O-CB 3.45Å; N854-L972 WeakPolarHBondContact O-CD1 3.48Å | ||
| 855 | I | 72.2 | Confident | 49.5 | Very low | 26 Ų | 26 | 74.3 Ų | 74.3 | 13% | 0.133 | 44% | 0.435 | C | S | . | . | trans | -83.9 | 46 | 171.7 | 55.8 | 152.5 | 0 | 0 | 0 | 111.3 | T853 V859 K918 S921 A922 L972 R1793 | T853-I855 PolarHBondContact O-N 3.47Å; I855-V859 HydrophobicContact CD1-CG2 4.34Å; I855-V859 VanDerWaalsContact O-CG2 3.29Å; I855-V859 WeakPolarHBondContact O-CG2 3.43Å; I855-K918 HydrophobicContact CD1-CD 3.58Å; I855-S921 WeakPolarHBondContact CG2-OG 3.24Å; I855-A922 HydrophobicContact CG2-CB 3.8Å; I855-L972 HydrophobicContact CB-CD2 4.41Å; I855-L972 HydrophobicContact CG2-CD2 3.57Å; I855-R1793 PolarHBondContact O-NH1 3.3Å; I855-R1793 VanDerWaalsContact O-NH1 3.08Å; I855-R1793 PolarHBondContact O-NH2 3.02Å | ||
| 856 | D | 69.5 | Low | 50.5 | Low | 52 Ų | 52 | 68.2 Ų | 68.2 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | trans | -72.4 | -100.3 | 166.7 | -79.7 | -28.3 | 0 | 0 | 0 | 107.7 | N854 L858 V859 N860 D1790 R1793 | N854-D856 PolarHBondContact ND2-OD2 3.27Å; N854-D856 PolarHBondContact O-N 2.92Å; N854-D856 VanDerWaalsContact OD1-CG 3.32Å; N854-D856 PolarHBondContact OD1-N 3.32Å; N854-D856 PolarHBondContact OD1-OD2 3.39Å; D856-L858 VanDerWaalsContact C-N 3.28Å; D856-L858 CarbonylContact O-C 3.38Å; D856-L858 PolarHBondContact O-N 3.5Å; D856-V859 WeakPolarHBondContact O-CB 3.45Å; D856-V859 PolarHBondContact O-N 3.27Å; D856-N860 PolarHBondContact O-N 3.03Å; D856-D1790 WeakPolarHBondContact CA-OD2 3.27Å; D856-R1793 IonicContact OD1-CZ 3.99Å; D856-R1793 IonicContact OD1-NE 2.85Å; D856-R1793 IonicContact OD1-NH1 3.12Å; D856-R1793 PolarHBondContact OD1-NH1 3.48Å | ||
| 857 | T | 73.9 | Confident | 51.6 | Low | 18 Ų | 18 | 64 Ų | 64 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -19.6 | -44.4 | -167.9 | -52.4 | 0 | 0 | 0 | 0 | 120.6 | N860 A861 V956 L957 T960 D969 | T857-N860 VanDerWaalsContact CA-CB 3.41Å; T857-N860 CarbonylContact O-C 3.59Å; T857-N860 VanDerWaalsContact O-C 3.32Å; T857-N860 WeakPolarHBondContact O-CA 3.38Å; T857-N860 WeakPolarHBondContact O-CB 3.15Å; T857-N860 PolarHBondContact O-N 2.88Å; T857-A861 PolarHBondContact O-N 2.94Å; T857-V956 HydrophobicContact CG2-CG1 4.28Å; T857-V956 WeakPolarHBondContact O-CG1 3.47Å; T857-L957 HydrophobicContact CG2-CD2 3.71Å; T857-T960 HydrophobicContact CG2-CG2 3.24Å; T857-D969 WeakPolarHBondContact CB-OD1 3.33Å; T857-D969 WeakPolarHBondContact CB-OD2 3.3Å; T857-D969 VanDerWaalsContact CG2-OD2 3.26Å; T857-D969 WeakPolarHBondContact CG2-OD2 3.31Å; T857-D969 PolarHBondContact OG1-OD1 3.12Å; T857-D969 PolarHBondContact OG1-OD2 2.94Å |
| 858 | L | 77 | Confident | 52.8 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -49.4 | 170.5 | -72.5 | -178.2 | 0 | 0 | 0 | 114.9 | D856 A861 N953 V956 L957 L972 L976 | D856-L858 VanDerWaalsContact C-N 3.28Å; D856-L858 CarbonylContact O-C 3.38Å; D856-L858 PolarHBondContact O-N 3.5Å; L858-A861 PolarHBondContact O-N 2.87Å; L858-N953 HydrophobicContact CD2-CB 3.58Å; L858-N953 WeakPolarHBondContact CD2-O 3.39Å; L858-N953 WeakPolarHBondContact CD2-OD1 3.17Å; L858-V956 HydrophobicContact CD2-CB 4.49Å; L858-V956 HydrophobicContact CD2-CG1 4.42Å; L858-L957 HydrophobicContact CD1-CD1 4.15Å; L858-L957 HydrophobicContact CD2-CD1 3.47Å; L858-L957 VanDerWaalsContact CD2-CD1 3.47Å; L858-L957 HydrophobicContact CD2-CD2 4.06Å; L858-L957 HydrophobicContact CD2-CG 3.45Å; L858-L957 VanDerWaalsContact CD2-CG 3.45Å; L858-L957 HydrophobicContact CG-CD1 3.76Å; L858-L957 HydrophobicContact CG-CD2 4.12Å; L858-L957 HydrophobicContact CG-CG 3.97Å; L858-L972 HydrophobicContact CD1-CB 4.16Å; L858-L972 HydrophobicContact CD1-CD1 3.94Å; L858-L972 HydrophobicContact CG-CD1 3.9Å; L858-L976 HydrophobicContact CD1-CD1 3.7Å; L858-L976 HydrophobicContact CD2-CD1 3.86Å; L858-L976 HydrophobicContact CG-CD1 4.39Å |
| 859 | V | 73.4 | Confident | 54.6 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -62.6 | -45.1 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 105.7 | I855 D856 A861 T862 V917 S1788 I1789 D1790 R1793 | I855-V859 HydrophobicContact CD1-CG2 4.34Å; I855-V859 VanDerWaalsContact O-CG2 3.29Å; I855-V859 WeakPolarHBondContact O-CG2 3.43Å; D856-V859 WeakPolarHBondContact O-CB 3.45Å; D856-V859 PolarHBondContact O-N 3.27Å; V859-A861 PolarHBondContact O-N 2.79Å; V859-T862 PolarHBondContact O-N 3.21Å; V859-T862 VanDerWaalsContact O-N 3.15Å; V859-T862 PolarHBondContact O-OG1 2.94Å; V859-V917 HydrophobicContact CB-CG1 4.24Å; V859-V917 HydrophobicContact CG2-CG1 3.2Å; V859-S1788 CarbonylContact O-C 3.57Å; V859-I1789 HydrophobicContact CB-CB 4.43Å; V859-I1789 HydrophobicContact CG1-CB 3.26Å; V859-I1789 HydrophobicContact CG1-CD1 4.42Å; V859-I1789 HydrophobicContact CG1-CG1 4.46Å; V859-I1789 HydrophobicContact CG1-CG2 3.29Å; V859-I1789 WeakPolarHBondContact O-CA 3.49Å; V859-I1789 PolarHBondContact O-N 3.25Å; V859-D1790 WeakPolarHBondContact CB-OD2 3.46Å; V859-D1790 WeakPolarHBondContact CG1-OD1 3.42Å; V859-R1793 VanDerWaalsContact CG1-NH2 3.33Å; V859-R1793 VanDerWaalsContact CG2-NH2 3.25Å |
| 860 | N | 66.9 | Low | 56.5 | Low | 62 Ų | 62 | 59.2 Ų | 59.2 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -53.9 | 11.5 | 168.8 | -141 | 2 | 0 | 0 | 0 | 117.3 | D856 T857 S1788 D1790 V1791 | D856-N860 PolarHBondContact O-N 3.03Å; T857-N860 VanDerWaalsContact CA-CB 3.41Å; T857-N860 CarbonylContact O-C 3.59Å; T857-N860 VanDerWaalsContact O-C 3.32Å; T857-N860 WeakPolarHBondContact O-CA 3.38Å; T857-N860 WeakPolarHBondContact O-CB 3.15Å; T857-N860 PolarHBondContact O-N 2.88Å; N860-S1788 WeakPolarHBondContact CA-OG 3.46Å; N860-S1788 WeakPolarHBondContact O-CB 3.12Å; N860-S1788 PolarHBondContact O-OG 3.31Å; N860-S1788 PolarHBondContact OD1-OG 3.46Å; N860-D1790 WeakPolarHBondContact CA-OD2 3.42Å; N860-D1790 HydrophobicContact CB-CB 3.71Å; N860-D1790 WeakPolarHBondContact CB-OD2 3.35Å; N860-D1790 PolarHBondContact N-OD2 3.45Å; N860-V1791 PolarHBondContact OD1-N 3.23Å |
| 861 | A | 64.4 | Low | 58.8 | Low | 33 Ų | 33 | 53.4 Ų | 53.4 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -149.9 | 25.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T857 L858 V859 R952 V956 | T857-A861 PolarHBondContact O-N 2.94Å; L858-A861 PolarHBondContact O-N 2.87Å; V859-A861 PolarHBondContact O-N 2.79Å; A861-R952 PolarHBondContact O-NH1 3.15Å; A861-V956 HydrophobicContact CB-CB 4.01Å; A861-V956 HydrophobicContact CB-CG1 3.42Å; A861-V956 VanDerWaalsContact CB-CG1 3.42Å; A861-V956 HydrophobicContact CB-CG2 3.34Å |
| 862 | T | 65.1 | Low | 61.1 | Low | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | trans | -58.9 | 161.4 | 164.1 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | V859 A866 L867 Q913 Q1785 S1788 I1789 | V859-T862 PolarHBondContact O-N 3.21Å; V859-T862 VanDerWaalsContact O-N 3.15Å; V859-T862 PolarHBondContact O-OG1 2.94Å; T862-A866 HydrophobicContact CG2-CB 3.87Å; T862-L867 HydrophobicContact CG2-CD2 4.4Å; T862-L867 HydrophobicContact CG2-CG 4.32Å; T862-Q913 PolarHBondContact OG1-NE2 3.31Å; T862-Q1785 CarbonylContact C-O 2.93Å; T862-Q1785 VanDerWaalsContact O-O 3.09Å; T862-S1788 PolarHBondContact O-N 3.47Å; T862-I1789 HydrophobicContact CG2-CD1 3.66Å; T862-I1789 HydrophobicContact CG2-CG1 3.8Å; T862-I1789 VanDerWaalsContact OG1-CD1 3.28Å; T862-I1789 WeakPolarHBondContact OG1-CD1 3.27Å | ||
| 863 | D | 56.3 | Low | 63.1 | Low | 94 Ų | 94 | 45 Ų | 45 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | trans | -124.4 | 157 | -162.8 | -157.1 | -1.6 | 0 | 0 | 0 | 116.2 | A865 A866 Q1785 S1786 | D863-A865 PolarHBondContact O-N 2.77Å; D863-A866 PolarHBondContact O-N 2.71Å; D863-Q1785 CarbonylContact C-O 3.53Å; D863-Q1785 WeakPolarHBondContact CA-O 3.41Å; D863-Q1785 PolarHBondContact N-O 3.32Å; D863-Q1785 CarbonylContact O-C 3.59Å; D863-Q1785 WeakPolarHBondContact O-CB 3.33Å; D863-S1786 VanDerWaalsContact C-N 3.32Å | ||
| 864 | K | 50.6 | Low | 64.2 | Low | 93 Ų | 93 | 46.7 Ų | 46.7 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -20.4 | -33 | 171.4 | -98.7 | 161.8 | -92.8 | -169.7 | 0 | 119.1 | D1784 Q1785 S1786 | K864-D1784 WeakPolarHBondContact CE-OD1 3.43Å; K864-D1784 IonicContact NZ-OD1 3.73Å; K864-D1784 PolarHBondContact NZ-OD1 3.43Å; K864-D1784 IonicContact NZ-OD2 3.92Å; K864-D1784 PolarHBondContact NZ-OD2 2.7Å; K864-Q1785 VanDerWaalsContact C-OE1 3.32Å; K864-Q1785 HydrophobicContact CB-CB 4.15Å; K864-Q1785 HydrophobicContact CG-CB 3.6Å; K864-Q1785 HydrophobicContact CG-CG 3.73Å; K864-Q1785 VanDerWaalsContact O-CD 3.28Å; K864-Q1785 PolarHBondContact O-OE1 3.45Å; K864-S1786 VanDerWaalsContact CB-N 3.28Å; K864-S1786 WeakPolarHBondContact CB-OG 3.22Å; K864-S1786 WeakPolarHBondContact CE-OG 3.24Å; K864-S1786 VanDerWaalsContact N-CA 3.32Å; K864-S1786 VanDerWaalsContact N-CB 3.3Å |
| 865 | A | 44.1 | Very low | 65.2 | Low | 51 Ų | 51 | 44.3 Ų | 44.3 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -1.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D863 Q868 Y869 | D863-A865 PolarHBondContact O-N 2.77Å; A865-Q868 WeakPolarHBondContact O-CB 3.49Å; A865-Y869 WeakPolarHBondContact O-CD2 3.37Å |
| 866 | A | 49.5 | Very low | 65.6 | Low | 22 Ų | 22 | 43.2 Ų | 43.2 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -37.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | T862 D863 Q868 | T862-A866 HydrophobicContact CG2-CB 3.87Å; D863-A866 PolarHBondContact O-N 2.71Å; A866-Q868 VanDerWaalsContact C-N 3.26Å; A866-Q868 PolarHBondContact O-N 3.12Å |
| 867 | L | 48.2 | Very low | 66.2 | Low | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -83.8 | -2.2 | 176.9 | -48.5 | 175.3 | 0 | 0 | 0 | 112.2 | T862 Y869 Q870 M1782 Q1785 I1789 L1792 | T862-L867 HydrophobicContact CG2-CD2 4.4Å; T862-L867 HydrophobicContact CG2-CG 4.32Å; L867-Y869 PolarHBondContact O-N 2.92Å; L867-Q870 WeakPolarHBondContact O-CB 3.43Å; L867-Q870 PolarHBondContact O-N 3.32Å; L867-M1782 WeakPolarHBondContact CD1-O 3.4Å; L867-Q1785 VanDerWaalsContact C-CD 3.49Å; L867-Q1785 VanDerWaalsContact C-NE2 3.3Å; L867-Q1785 HydrophobicContact CB-CB 3.94Å; L867-Q1785 HydrophobicContact CB-CG 3.75Å; L867-Q1785 HydrophobicContact CD1-CB 3.99Å; L867-Q1785 HydrophobicContact CD1-CG 4.32Å; L867-Q1785 HydrophobicContact CG-CB 3.91Å; L867-Q1785 HydrophobicContact CG-CG 4.26Å; L867-I1789 HydrophobicContact CD1-CG1 4.24Å; L867-I1789 HydrophobicContact CD2-CD1 4.04Å; L867-I1789 HydrophobicContact CD2-CG1 4.44Å; L867-L1792 HydrophobicContact CD1-CD1 3.9Å |
| 868 | Q | 50.7 | Low | 66.6 | Low | 127 Ų | 127 | 45 Ų | 45 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -70.7 | -25.7 | 178.1 | -126.4 | 172 | 20.3 | 0 | 0 | 111.6 | A865 A866 | A865-Q868 WeakPolarHBondContact O-CB 3.49Å; A866-Q868 VanDerWaalsContact C-N 3.26Å; A866-Q868 PolarHBondContact O-N 3.12Å |
| 869 | Y | 61.6 | Low | 67 | Low | 113 Ų | 113 | 45 Ų | 45 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -105.5 | 25.9 | 177.4 | -61.3 | -72 | 0 | 0 | 0 | 111.5 | A865 L867 P871 S906 P909 W910 | A865-Y869 WeakPolarHBondContact O-CD2 3.37Å; L867-Y869 PolarHBondContact O-N 2.92Å; Y869-P871 WeakPolarHBondContact O-CD 3.4Å; Y869-S906 WeakPolarHBondContact CB-O 3.2Å; Y869-P909 HydrophobicContact CD2-CB 4.47Å; Y869-P909 HydrophobicContact CD2-CG 4.45Å; Y869-P909 HydrophobicContact CG-CB 4.4Å; Y869-P909 HydrophobicContact CG-CG 4.16Å; Y869-W910 WeakPolarHBondContact O-CB 3.47Å |
| 870 | Q | 66.4 | Low | 67.2 | Low | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | trans | -55.7 | 115.1 | 171.9 | 176.1 | 170 | -65.1 | 0 | 0 | 109.5 | L867 M1782 E1847 | L867-Q870 WeakPolarHBondContact O-CB 3.43Å; L867-Q870 PolarHBondContact O-N 3.32Å; Q870-M1782 PolarHBondContact OE1-O 2.82Å; Q870-E1847 HydrophobicContact CG-CG 4.17Å; Q870-E1847 PolarHBondContact NE2-OE2 3.07Å | ||
| 871 | P | 72.5 | Confident | 68 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | trans | -64.8 | 141.3 | -174.5 | -19.8 | 27.8 | 0 | 0 | 0 | 111.4 | Y869 I875 Q876 I879 N907 W910 E1847 | Y869-P871 WeakPolarHBondContact O-CD 3.4Å; P871-I875 HydrophobicContact CB-CB 3.89Å; P871-I875 HydrophobicContact CB-CG2 4.1Å; P871-Q876 HydrophobicContact CB-CG 3.72Å; P871-Q876 VanDerWaalsContact CD-CG 3.47Å; P871-Q876 HydrophobicContact CG-CG 3.68Å; P871-Q876 PolarHBondContact O-NE2 3.43Å; P871-I879 HydrophobicContact CG-CD1 4.38Å; P871-N907 HydrophobicContact CB-CB 4.33Å; P871-N907 WeakPolarHBondContact CB-OD1 3.42Å; P871-N907 HydrophobicContact CG-CB 4.27Å; P871-W910 VanDerWaalsContact CD-CB 3.44Å; P871-W910 VanDerWaalsContact CD-CD2 3.4Å; P871-W910 HydrophobicContact CG-CB 3.83Å; P871-W910 HydrophobicContact CG-CD2 3.78Å; P871-W910 HydrophobicContact CG-CE3 3.59Å; P871-W910 HydrophobicContact CG-CG 3.9Å; P871-W910 HydrophobicContact CG-CZ3 4.44Å; P871-E1847 WeakPolarHBondContact O-CG 3.49Å | ||
| 872 | A | 75.7 | Confident | 69 | Low | 52 Ų | 52 | 43.4 Ų | 43.4 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | trans | -61.7 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S874 I875 V1846 E1847 | A872-S874 PolarHBondContact O-N 3.22Å; A872-I875 HydrophobicContact CB-CD1 4.42Å; A872-I875 PolarHBondContact O-N 2.96Å; A872-V1846 WeakPolarHBondContact O-CG2 3.5Å; A872-E1847 WeakPolarHBondContact CA-OE1 3.42Å | ||
| 873 | E | 75.3 | Confident | 70 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 52.9 | -174.2 | -102.9 | 174.1 | -26.1 | 0 | 0 | 119.1 | R1844 R1845 V1846 E1847 M1848 | E873-R1844 WeakPolarHBondContact CB-O 3.31Å; E873-R1844 VanDerWaalsContact CG-C 3.42Å; E873-R1844 WeakPolarHBondContact CG-O 3.26Å; E873-R1844 WeakPolarHBondContact OE1-CA 3.31Å; E873-R1844 WeakPolarHBondContact OE1-CB 2.81Å; E873-R1844 WeakPolarHBondContact OE1-CG 3.01Å; E873-R1844 WeakPolarHBondContact OE2-CA 3.45Å; E873-R1844 WeakPolarHBondContact OE2-CB 3.32Å; E873-R1845 HydrophobicContact CG-CB 4.38Å; E873-R1845 WeakPolarHBondContact O-CD 3.35Å; E873-R1845 PolarHBondContact OE2-N 3.44Å; E873-R1845 VanDerWaalsContact OE2-N 3.13Å; E873-V1846 HydrophobicContact CG-CB 4.37Å; E873-V1846 HydrophobicContact CG-CG2 3.71Å; E873-V1846 PolarHBondContact OE2-N 3.35Å; E873-E1847 VanDerWaalsContact CD-CB 3.43Å; E873-E1847 HydrophobicContact CG-CB 3.95Å; E873-E1847 HydrophobicContact CG-CG 3.73Å; E873-E1847 PolarHBondContact N-OE1 3.37Å; E873-E1847 WeakPolarHBondContact OE2-CA 3.26Å; E873-E1847 VanDerWaalsContact OE2-CB 3.29Å; E873-E1847 WeakPolarHBondContact OE2-CB 3.35Å; E873-E1847 PolarHBondContact OE2-N 3.3Å; E873-M1848 PolarHBondContact OE2-N 3Å |
| 874 | S | 76.5 | Confident | 71.3 | Confident | 75 Ų | 75 | 39.6 Ų | 39.6 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.4 | -6.7 | 151.6 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | A872 | A872-S874 PolarHBondContact O-N 3.22Š|
| 875 | I | 79.2 | Confident | 72.9 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -49.7 | -155.4 | -40.7 | -174.7 | 0 | 0 | 0 | 117 | P871 A872 L877 Q878 I879 V901 N907 | P871-I875 HydrophobicContact CB-CB 3.89Å; P871-I875 HydrophobicContact CB-CG2 4.1Å; A872-I875 HydrophobicContact CB-CD1 4.42Å; A872-I875 PolarHBondContact O-N 2.96Å; I875-L877 PolarHBondContact O-N 3.14Å; I875-L877 VanDerWaalsContact O-N 3.08Å; I875-Q878 WeakPolarHBondContact O-CA 3.29Å; I875-Q878 WeakPolarHBondContact O-CB 3.18Å; I875-Q878 PolarHBondContact O-N 3.38Å; I875-I879 HydrophobicContact CG2-CD1 3.89Å; I875-I879 HydrophobicContact CG2-CG1 4.5Å; I875-I879 PolarHBondContact O-N 3.43Å; I875-V901 HydrophobicContact CG2-CG1 3.64Å; I875-V901 HydrophobicContact CG2-CG2 4.46Å; I875-N907 VanDerWaalsContact CD1-ND2 3.28Å; I875-N907 WeakPolarHBondContact CD1-ND2 3.43Å |
| 876 | Q | 81.5 | Confident | 74.8 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.2 | -27.7 | -172.2 | -70 | 175.1 | 75.8 | 0 | 0 | 115.4 | P871 I879 S880 W910 V1846 R1849 | P871-Q876 HydrophobicContact CB-CG 3.72Å; P871-Q876 VanDerWaalsContact CD-CG 3.47Å; P871-Q876 HydrophobicContact CG-CG 3.68Å; P871-Q876 PolarHBondContact O-NE2 3.43Å; Q876-I879 CarbonylContact O-C 3.42Å; Q876-I879 WeakPolarHBondContact O-CB 3.46Å; Q876-I879 PolarHBondContact O-N 2.85Å; Q876-S880 WeakPolarHBondContact O-CB 3.39Å; Q876-S880 PolarHBondContact O-N 3.06Å; Q876-W910 HydrophobicContact CB-CH2 3.69Å; Q876-W910 HydrophobicContact CB-CZ2 4.17Å; Q876-W910 HydrophobicContact CB-CZ3 3.99Å; Q876-W910 HydrophobicContact CG-CD2 4.14Å; Q876-W910 HydrophobicContact CG-CE3 4Å; Q876-W910 HydrophobicContact CG-CH2 3.67Å; Q876-W910 HydrophobicContact CG-CZ2 3.82Å; Q876-W910 HydrophobicContact CG-CZ3 3.77Å; Q876-V1846 HydrophobicContact CB-CB 4.01Å; Q876-V1846 HydrophobicContact CB-CG2 3.74Å; Q876-V1846 HydrophobicContact CG-CG2 4.24Å; Q876-R1849 VanDerWaalsContact OE1-CZ 3.3Å |
| 877 | L | 81.5 | Confident | 76.5 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -95.9 | -20.3 | -179.2 | -173.9 | -86.9 | 0 | 0 | 0 | 110.5 | I875 I879 F881 V1846 I1896 Y1899 | I875-L877 PolarHBondContact O-N 3.14Å; I875-L877 VanDerWaalsContact O-N 3.08Å; L877-I879 VanDerWaalsContact C-N 3.27Å; L877-F881 WeakPolarHBondContact O-CA 3.23Å; L877-F881 WeakPolarHBondContact O-CB 3.42Å; L877-F881 PolarHBondContact O-N 2.78Å; L877-V1846 HydrophobicContact CB-CB 3.69Å; L877-V1846 HydrophobicContact CB-CG1 3.73Å; L877-I1896 HydrophobicContact CB-CD1 4.08Å; L877-I1896 HydrophobicContact CD1-CB 4.4Å; L877-I1896 HydrophobicContact CD1-CD1 4.49Å; L877-I1896 HydrophobicContact CD2-CG1 4.28Å; L877-I1896 HydrophobicContact CG-CB 4.15Å; L877-I1896 HydrophobicContact CG-CD1 3.76Å; L877-I1896 HydrophobicContact CG-CG1 3.82Å; L877-Y1899 HydrophobicContact CD2-CE2 4.21Å |
| 878 | Q | 83 | Confident | 78.3 | Confident | 77 Ų | 77 | 36.8 Ų | 36.8 | 36% | 0.36 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 156.5 | -175.3 | -179.7 | -3.9 | 0 | 0 | 109.7 | I875 F881 L882 V901 | I875-Q878 WeakPolarHBondContact O-CA 3.29Å; I875-Q878 WeakPolarHBondContact O-CB 3.18Å; I875-Q878 PolarHBondContact O-N 3.38Å; Q878-F881 CarbonylContact O-C 3.46Å; Q878-F881 VanDerWaalsContact O-CA 3.22Å; Q878-F881 WeakPolarHBondContact O-CA 3.25Å; Q878-F881 WeakPolarHBondContact O-CB 3.32Å; Q878-F881 PolarHBondContact O-N 2.6Å; Q878-L882 VanDerWaalsContact O-CB 3.29Å; Q878-L882 WeakPolarHBondContact O-CB 3.31Å; Q878-L882 PolarHBondContact O-N 3.02Å; Q878-V901 VanDerWaalsContact CD-CG2 3.46Å; Q878-V901 HydrophobicContact CG-CG2 4.09Å |
| 879 | I | 84 | Confident | 79.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.5 | -41.4 | 175.4 | -63 | 155.3 | 0 | 0 | 0 | 112.6 | P871 I875 Q876 L877 F881 L882 F883 M898 V901 W910 V911 Y914 | P871-I879 HydrophobicContact CG-CD1 4.38Å; I875-I879 HydrophobicContact CG2-CD1 3.89Å; I875-I879 HydrophobicContact CG2-CG1 4.5Å; I875-I879 PolarHBondContact O-N 3.43Å; Q876-I879 CarbonylContact O-C 3.42Å; Q876-I879 WeakPolarHBondContact O-CB 3.46Å; Q876-I879 PolarHBondContact O-N 2.85Å; L877-I879 VanDerWaalsContact C-N 3.27Å; I879-F881 PolarHBondContact O-N 3.19Å; I879-L882 VanDerWaalsContact C-N 3.31Å; I879-L882 CarbonylContact O-C 3.29Å; I879-L882 WeakPolarHBondContact O-CA 3.49Å; I879-L882 WeakPolarHBondContact O-CB 3.31Å; I879-L882 PolarHBondContact O-N 2.78Å; I879-F883 HydrophobicContact CG2-CD2 3.98Å; I879-F883 HydrophobicContact CG2-CE2 3.94Å; I879-F883 WeakPolarHBondContact O-CD2 3.38Å; I879-F883 PolarHBondContact O-N 3.26Å; I879-F883 VanDerWaalsContact O-N 3.16Å; I879-M898 HydrophobicContact CG2-CE 4.28Å; I879-V901 HydrophobicContact CD1-CG1 3.68Å; I879-V901 HydrophobicContact CG1-CG1 3.59Å; I879-W910 HydrophobicContact CB-CZ3 4.12Å; I879-W910 HydrophobicContact CD1-CE3 4.06Å; I879-W910 HydrophobicContact CD1-CZ3 3.83Å; I879-W910 HydrophobicContact CG2-CZ3 3.91Å; I879-V911 HydrophobicContact CD1-CG2 3.49Å; I879-V911 VanDerWaalsContact CD1-CG2 3.49Å; I879-V911 HydrophobicContact CG1-CG2 4.17Å; I879-Y914 HydrophobicContact CG2-CD1 4.01Å; I879-Y914 HydrophobicContact CG2-CE1 4.26Å |
| 880 | S | 78.9 | Confident | 81 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.5 | -23.7 | 170.8 | -156.5 | 0 | 0 | 0 | 0 | 110.6 | Q876 Y914 Y1899 S1950 | Q876-S880 WeakPolarHBondContact O-CB 3.39Å; Q876-S880 PolarHBondContact O-N 3.06Å; S880-Y914 WeakPolarHBondContact CA-OH 3.48Å; S880-Y914 WeakPolarHBondContact CB-OH 3.2Å; S880-Y914 PolarHBondContact OG-OH 2.91Å; S880-Y1899 WeakPolarHBondContact O-CE2 3.36Å; S880-Y1899 VanDerWaalsContact O-CZ 3.27Å; S880-Y1899 PolarHBondContact O-OH 2.86Å; S880-Y1899 WeakPolarHBondContact OG-CE2 3.48Å; S880-S1950 PolarHBondContact O-OG 2.8Å |
| 881 | F | 82.4 | Confident | 82 | Confident | 42 Ų | 42 | 29.7 Ų | 29.7 | 18% | 0.184 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 10 | 162.3 | -158 | -100 | 0 | 0 | 0 | 113.6 | L877 Q878 I879 Y1899 F1937 F1941 T1948 K1949 S1950 I1951 | L877-F881 WeakPolarHBondContact O-CA 3.23Å; L877-F881 WeakPolarHBondContact O-CB 3.42Å; L877-F881 PolarHBondContact O-N 2.78Å; Q878-F881 CarbonylContact O-C 3.46Å; Q878-F881 VanDerWaalsContact O-CA 3.22Å; Q878-F881 WeakPolarHBondContact O-CA 3.25Å; Q878-F881 WeakPolarHBondContact O-CB 3.32Å; Q878-F881 PolarHBondContact O-N 2.6Å; I879-F881 PolarHBondContact O-N 3.19Å; F881-Y1899 WeakPolarHBondContact CA-OH 3.28Å; F881-Y1899 WeakPolarHBondContact CD2-OH 3.36Å; F881-F1937 HydrophobicContact CE2-CZ 4.2Å; F881-F1941 HydrophobicContact CE1-CE1 4.39Å; F881-F1941 AromaticContact CZ-CE1 3.92Å; F881-F1941 HydrophobicContact CZ-CE1 3.92Å; F881-F1941 AromaticContact CZ-CZ 3.86Å; F881-F1941 HydrophobicContact CZ-CZ 3.86Å; F881-T1948 HydrophobicContact CE1-CG2 4.2Å; F881-T1948 VanDerWaalsContact CE1-OG1 3.3Å; F881-T1948 WeakPolarHBondContact CE1-OG1 3.23Å; F881-K1949 CarbonylContact O-C 3.54Å; F881-K1949 VanDerWaalsContact O-C 3.29Å; F881-S1950 WeakPolarHBondContact CA-OG 3.32Å; F881-S1950 WeakPolarHBondContact CE2-O 3.43Å; F881-S1950 WeakPolarHBondContact O-CB 3.48Å; F881-S1950 PolarHBondContact O-N 3.44Å; F881-S1950 PolarHBondContact O-OG 3.02Å; F881-I1951 HydrophobicContact CE2-CD1 4.45Å; F881-I1951 HydrophobicContact CZ-CD1 4.27Å; F881-I1951 HydrophobicContact CZ-CG1 4.42Å |
| 882 | L | 87 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 19.7 | 177.9 | -129 | 149.7 | 0 | 0 | 0 | 112.8 | Q878 I879 K894 Q897 M898 F933 K1949 S1950 | Q878-L882 VanDerWaalsContact O-CB 3.29Å; Q878-L882 WeakPolarHBondContact O-CB 3.31Å; Q878-L882 PolarHBondContact O-N 3.02Å; I879-L882 VanDerWaalsContact C-N 3.31Å; I879-L882 CarbonylContact O-C 3.29Å; I879-L882 WeakPolarHBondContact O-CA 3.49Å; I879-L882 WeakPolarHBondContact O-CB 3.31Å; I879-L882 PolarHBondContact O-N 2.78Å; L882-K894 HydrophobicContact CD1-CD 4.24Å; L882-K894 HydrophobicContact CD2-CB 4.45Å; L882-K894 HydrophobicContact CD2-CD 3.88Å; L882-K894 HydrophobicContact CG-CD 3.7Å; L882-Q897 HydrophobicContact CD1-CB 4.41Å; L882-Q897 VanDerWaalsContact CD1-O 3.27Å; L882-Q897 WeakPolarHBondContact CD1-O 3.17Å; L882-M898 HydrophobicContact CD1-CB 4.08Å; L882-M898 HydrophobicContact CD1-SD 4.22Å; L882-M898 HydrophobicContact CD2-CB 3.78Å; L882-M898 HydrophobicContact CD2-CE 4.11Å; L882-M898 HydrophobicContact CD2-CG 4.31Å; L882-M898 HydrophobicContact CD2-SD 4.26Å; L882-F933 HydrophobicContact CD2-CE2 3.74Å; L882-F933 HydrophobicContact CD2-CZ 3.58Å; L882-K1949 VanDerWaalsContact C-CB 3.5Å; L882-K1949 VanDerWaalsContact C-CG 3.45Å; L882-K1949 CarbonylContact C-O 3.59Å; L882-K1949 HydrophobicContact CB-CB 4.3Å; L882-K1949 HydrophobicContact CD2-CB 3.78Å; L882-K1949 HydrophobicContact CD2-CD 4.04Å; L882-K1949 HydrophobicContact CD2-CG 4.41Å; L882-K1949 HydrophobicContact CG-CB 3.96Å; L882-K1949 WeakPolarHBondContact O-CB 3.44Å; L882-K1949 WeakPolarHBondContact O-CD 3.31Å; L882-K1949 WeakPolarHBondContact O-CE 3.25Å; L882-K1949 WeakPolarHBondContact O-CG 3.19Å; L882-S1950 PolarHBondContact N-OG 2.83Å |
| 883 | F | 85.6 | Confident | 83 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132 | -34.7 | 164.8 | -80.1 | -88.4 | 0 | 0 | 0 | 115.9 | I879 N885 L886 M898 Y914 L915 R919 Y930 F933 K1949 S1950 I1953 | I879-F883 HydrophobicContact CG2-CD2 3.98Å; I879-F883 HydrophobicContact CG2-CE2 3.94Å; I879-F883 WeakPolarHBondContact O-CD2 3.38Å; I879-F883 PolarHBondContact O-N 3.26Å; I879-F883 VanDerWaalsContact O-N 3.16Å; F883-N885 PolarHBondContact O-N 3.37Å; F883-L886 PolarHBondContact O-N 3.26Å; F883-M898 HydrophobicContact CE2-CE 3.6Å; F883-M898 HydrophobicContact CZ-CE 4.08Å; F883-Y914 HydrophobicContact CB-CE1 3.99Å; F883-Y914 AromaticContact CD2-CD1 3.98Å; F883-Y914 HydrophobicContact CD2-CD1 3.98Å; F883-Y914 AromaticContact CD2-CE1 3.61Å; F883-Y914 HydrophobicContact CD2-CE1 3.61Å; F883-Y914 HydrophobicContact CE2-CD1 4.35Å; F883-Y914 HydrophobicContact CE2-CE1 4.41Å; F883-Y914 AromaticContact CG-CE1 3.95Å; F883-Y914 HydrophobicContact CG-CE1 3.95Å; F883-L915 HydrophobicContact CD1-CD1 3.93Å; F883-L915 HydrophobicContact CE1-CB 4.29Å; F883-L915 HydrophobicContact CE1-CD1 3.34Å; F883-L915 HydrophobicContact CE1-CD2 3.85Å; F883-L915 HydrophobicContact CE1-CG 4Å; F883-L915 HydrophobicContact CZ-CB 4.13Å; F883-L915 HydrophobicContact CZ-CD1 4.02Å; F883-L915 HydrophobicContact CZ-CD2 3.82Å; F883-L915 HydrophobicContact CZ-CG 4.2Å; F883-R919 HydrophobicContact CB-CG 4.07Å; F883-R919 HydrophobicContact CD1-CG 4.11Å; F883-R919 HydrophobicContact CG-CG 4.16Å; F883-Y930 HydrophobicContact CD1-CD1 4.04Å; F883-Y930 AromaticContact CD1-CE1 3.83Å; F883-Y930 HydrophobicContact CD1-CE1 3.83Å; F883-Y930 HydrophobicContact CE1-CD1 4.35Å; F883-F933 HydrophobicContact CZ-CE1 4.06Å; F883-K1949 CarbonylContact C-O 3.4Å; F883-K1949 WeakPolarHBondContact CA-O 3.18Å; F883-K1949 VanDerWaalsContact CD1-CE 3.41Å; F883-K1949 PolarHBondContact N-O 2.95Å; F883-S1950 PolarHBondContact N-OG 2.95Å; F883-I1953 VanDerWaalsContact O-CD1 3.27Å; F883-I1953 WeakPolarHBondContact O-CD1 3.41Å |
| 884 | N | 82.5 | Confident | 83.5 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -69.7 | 29.4 | 179.8 | -102.4 | -30.2 | 0 | 0 | 0 | 115.7 | R919 Y1899 K1949 S1950 I1951 I1953 V1954 | N884-R919 VanDerWaalsContact CG-NH1 3.26Å; N884-R919 PolarHBondContact ND2-NH2 2.8Å; N884-R919 PolarHBondContact OD1-NH1 2.92Å; N884-Y1899 HydrophobicContact CB-CD1 3.9Å; N884-Y1899 HydrophobicContact CB-CE1 3.49Å; N884-Y1899 VanDerWaalsContact CB-CE1 3.49Å; N884-Y1899 WeakPolarHBondContact ND2-CD1 3.27Å; N884-Y1899 WeakPolarHBondContact ND2-CD2 3.49Å; N884-Y1899 WeakPolarHBondContact ND2-CE1 3.44Å; N884-K1949 CarbonylContact C-O 3.57Å; N884-K1949 PolarHBondContact N-O 3.03Å; N884-S1950 WeakPolarHBondContact CA-OG 3.05Å; N884-S1950 VanDerWaalsContact CB-OG 3.26Å; N884-S1950 WeakPolarHBondContact CB-OG 3.31Å; N884-S1950 PolarHBondContact N-OG 3.21Å; N884-S1950 CarbonylContact O-C 3.6Å; N884-S1950 VanDerWaalsContact O-C 3.32Å; N884-S1950 WeakPolarHBondContact O-CA 3.37Å; N884-I1951 CarbonylContact O-C 3.46Å; N884-I1951 PolarHBondContact O-N 3.48Å; N884-I1953 HydrophobicContact CB-CB 4.19Å; N884-I1953 CarbonylContact O-C 3.37Å; N884-I1953 VanDerWaalsContact O-CA 3.25Å; N884-I1953 WeakPolarHBondContact O-CA 3.43Å; N884-I1953 VanDerWaalsContact O-CB 3.29Å; N884-I1953 WeakPolarHBondContact O-CB 3.19Å; N884-I1953 PolarHBondContact O-N 3.31Å; N884-I1953 WeakPolarHBondContact OD1-CB 3.31Å; N884-I1953 WeakPolarHBondContact OD1-CG2 3.26Å; N884-V1954 HydrophobicContact CB-CG2 4.19Å; N884-V1954 PolarHBondContact O-N 3.16Å |
| 885 | N | 84.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -116.9 | -59 | 164.6 | -168.8 | -48.1 | 0 | 0 | 0 | 111.7 | F883 S887 N890 F1947 T1948 K1949 I1951 S1952 I1953 | F883-N885 PolarHBondContact O-N 3.37Å; N885-S887 PolarHBondContact OD1-N 2.87Å; N885-S887 VanDerWaalsContact OD1-N 3.09Å; N885-N890 VanDerWaalsContact CG-ND2 3.33Å; N885-N890 PolarHBondContact ND2-ND2 2.82Å; N885-N890 PolarHBondContact OD1-ND2 2.86Å; N885-F1947 VanDerWaalsContact ND2-C 3.27Å; N885-F1947 VanDerWaalsContact ND2-CA 3.33Å; N885-F1947 WeakPolarHBondContact ND2-CA 3.47Å; N885-F1947 VanDerWaalsContact ND2-CB 3.35Å; N885-F1947 WeakPolarHBondContact ND2-CB 3.36Å; N885-T1948 WeakPolarHBondContact CB-O 3.24Å; N885-T1948 PolarHBondContact ND2-N 2.94Å; N885-T1948 PolarHBondContact ND2-O 3.27Å; N885-K1949 VanDerWaalsContact CB-CA 3.42Å; N885-K1949 HydrophobicContact CB-CB 4.43Å; N885-K1949 HydrophobicContact CB-CG 4.35Å; N885-K1949 WeakPolarHBondContact CB-O 3.31Å; N885-K1949 PolarHBondContact N-O 3.1Å; N885-I1951 VanDerWaalsContact CB-N 3.33Å; N885-I1951 WeakPolarHBondContact ND2-CB 3.4Å; N885-I1951 PolarHBondContact ND2-N 3.36Å; N885-S1952 VanDerWaalsContact CA-N 3.32Å; N885-S1952 PolarHBondContact ND2-N 2.82Å; N885-S1952 CarbonylContact O-C 3.32Å; N885-S1952 WeakPolarHBondContact O-CA 3.25Å; N885-S1952 PolarHBondContact O-OG 3.17Å; N885-S1952 WeakPolarHBondContact OD1-CA 3.09Å; N885-S1952 WeakPolarHBondContact OD1-CB 3.15Å; N885-S1952 PolarHBondContact OD1-N 3.37Å; N885-S1952 PolarHBondContact OD1-OG 3.38Å; N885-I1953 VanDerWaalsContact O-CG1 3.28Å; N885-I1953 WeakPolarHBondContact O-CG1 3.35Å; N885-I1953 PolarHBondContact O-N 3.24Å; N885-I1953 VanDerWaalsContact O-N 3.16Å | ||
| 886 | L | 85.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | -41.9 | 143.1 | -106.8 | -176.8 | 59.2 | 0 | 0 | 0 | 114.8 | F883 N890 L891 L929 Y930 F933 K1949 | F883-L886 PolarHBondContact O-N 3.26Å; L886-N890 WeakPolarHBondContact CD1-OD1 3.48Å; L886-L891 HydrophobicContact CD1-CD1 3.79Å; L886-L891 HydrophobicContact CD2-CD1 3.89Å; L886-L891 HydrophobicContact CG-CD1 4.23Å; L886-L929 HydrophobicContact CB-CD1 4.42Å; L886-L929 HydrophobicContact CB-CG 3.9Å; L886-L929 HydrophobicContact CD2-CB 4.34Å; L886-L929 HydrophobicContact CD2-CD1 3.82Å; L886-L929 HydrophobicContact CD2-CG 3.73Å; L886-L929 WeakPolarHBondContact CD2-O 3.45Å; L886-L929 HydrophobicContact CG-CD1 3.66Å; L886-L929 HydrophobicContact CG-CG 3.65Å; L886-L929 WeakPolarHBondContact O-CD2 3.29Å; L886-Y930 HydrophobicContact CB-CE1 4.5Å; L886-Y930 HydrophobicContact CD2-CD1 4.26Å; L886-F933 HydrophobicContact CD1-CD2 4.42Å; L886-F933 HydrophobicContact CD2-CB 3.55Å; L886-F933 HydrophobicContact CD2-CD2 4.37Å; L886-F933 HydrophobicContact CD2-CG 4.23Å; L886-K1949 HydrophobicContact CB-CD 3.8Å; L886-K1949 HydrophobicContact CB-CG 3.67Å; L886-K1949 HydrophobicContact CD1-CD 3.56Å; L886-K1949 HydrophobicContact CD1-CG 3.79Å; L886-K1949 HydrophobicContact CD2-CD 3.91Å; L886-K1949 HydrophobicContact CG-CD 3.92Å; L886-K1949 HydrophobicContact CG-CG 4.18Å | |||
| 887 | S | 85 | Confident | 84.4 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | trans | -127.5 | 149.2 | 170.3 | 80.9 | 0 | 0 | 0 | 0 | 109.8 | N885 A889 N890 | N885-S887 PolarHBondContact OD1-N 2.87Å; N885-S887 VanDerWaalsContact OD1-N 3.09Å; S887-A889 PolarHBondContact O-N 3.19Å; S887-N890 PolarHBondContact N-ND2 3.44Å; S887-N890 PolarHBondContact N-OD1 3.21Å; S887-N890 VanDerWaalsContact O-CG 3.3Å; S887-N890 PolarHBondContact O-N 2.69Å; S887-N890 VanDerWaalsContact O-N 3.13Å; S887-N890 PolarHBondContact O-OD1 3.43Å; S887-N890 VanDerWaalsContact OG-CG 3.29Å; S887-N890 PolarHBondContact OG-ND2 3.25Å | ||
| 888 | Q | 84.5 | Confident | 84.6 | Confident | 101 Ų | 101 | 35.2 Ų | 35.2 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -60.2 | -29.9 | 177.4 | -60.4 | -69.3 | 15.5 | 0 | 0 | 110.6 | N890 L929 N932 | Q888-N890 PolarHBondContact O-N 2.86Å; Q888-N890 VanDerWaalsContact O-N 3.16Å; Q888-L929 HydrophobicContact CG-CD1 3.81Å; Q888-N932 PolarHBondContact NE2-ND2 3.41Å; Q888-N932 PolarHBondContact OE1-ND2 3.12Å |
| 889 | A | 82.4 | Confident | 84.7 | Confident | 98 Ų | 98 | 36 Ų | 36 | 81% | 0.81 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -67.2 | -8.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S887 | S887-A889 PolarHBondContact O-N 3.19Š|
| 890 | N | 87.1 | Confident | 84.5 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -130.3 | 4.8 | -176 | 67.9 | 38.2 | 0 | 0 | 0 | 115.6 | N885 L886 S887 Q888 N892 E893 K894 F1947 T1948 | N885-N890 VanDerWaalsContact CG-ND2 3.33Å; N885-N890 PolarHBondContact ND2-ND2 2.82Å; N885-N890 PolarHBondContact OD1-ND2 2.86Å; L886-N890 WeakPolarHBondContact CD1-OD1 3.48Å; S887-N890 PolarHBondContact N-ND2 3.44Å; S887-N890 PolarHBondContact N-OD1 3.21Å; S887-N890 VanDerWaalsContact O-CG 3.3Å; S887-N890 PolarHBondContact O-N 2.69Å; S887-N890 VanDerWaalsContact O-N 3.13Å; S887-N890 PolarHBondContact O-OD1 3.43Å; S887-N890 VanDerWaalsContact OG-CG 3.29Å; S887-N890 PolarHBondContact OG-ND2 3.25Å; Q888-N890 PolarHBondContact O-N 2.86Å; Q888-N890 VanDerWaalsContact O-N 3.16Å; N890-N892 PolarHBondContact O-N 2.92Å; N890-E893 PolarHBondContact O-N 3.44Å; N890-K894 PolarHBondContact O-N 2.88Å; N890-F1947 HydrophobicContact CB-CB 4.21Å; N890-F1947 WeakPolarHBondContact CB-O 3.05Å; N890-F1947 VanDerWaalsContact ND2-CB 3.29Å; N890-F1947 WeakPolarHBondContact ND2-CB 3.42Å; N890-F1947 PolarHBondContact ND2-O 3.3Å; N890-T1948 PolarHBondContact ND2-O 3.43Å |
| 891 | L | 87 | Confident | 84.5 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -49 | -44.4 | -169 | -161.8 | 69.6 | 0 | 0 | 0 | 112.1 | L886 K894 V895 N932 F933 A936 | L886-L891 HydrophobicContact CD1-CD1 3.79Å; L886-L891 HydrophobicContact CD2-CD1 3.89Å; L886-L891 HydrophobicContact CG-CD1 4.23Å; L891-K894 PolarHBondContact O-N 3.22Å; L891-V895 WeakPolarHBondContact O-CG2 3.4Å; L891-V895 PolarHBondContact O-N 3.45Å; L891-N932 HydrophobicContact CD1-CB 4.26Å; L891-N932 HydrophobicContact CD2-CB 3.89Å; L891-F933 HydrophobicContact CD1-CB 3.83Å; L891-F933 HydrophobicContact CD1-CD2 4.46Å; L891-A936 HydrophobicContact CD2-CB 3.9Å; L891-A936 HydrophobicContact CG-CB 4.15Å |
| 892 | N | 85.5 | Confident | 84.3 | Confident | 116 Ų | 116 | 39.3 Ų | 39.3 | 62% | 0.62 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -73.4 | -47.7 | -174.4 | -57.2 | -7.1 | 0 | 0 | 0 | 112.5 | N890 K894 V895 E896 | N890-N892 PolarHBondContact O-N 2.92Å; N892-K894 PolarHBondContact O-N 3.27Å; N892-V895 PolarHBondContact O-N 3.47Å; N892-V895 VanDerWaalsContact O-N 3.11Å; N892-E896 PolarHBondContact O-N 2.93Å |
| 893 | E | 84.1 | Confident | 83.7 | Confident | 68 Ų | 68 | 43.7 Ų | 43.7 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -52.5 | -30.3 | 174.2 | -167.6 | -138.7 | 102.8 | 0 | 0 | 111.5 | N890 Q897 | N890-E893 PolarHBondContact O-N 3.44Å; E893-Q897 PolarHBondContact O-N 3.3Å; E893-Q897 PolarHBondContact O-NE2 3.41Å; E893-Q897 PolarHBondContact OE1-NE2 3.43Å |
| 894 | K | 86.4 | Confident | 83.3 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -97 | -19.8 | -177.5 | -83.7 | -70.8 | 133.6 | 174.2 | 0 | 116.7 | L882 N890 L891 N892 Q897 M898 F933 K1949 | L882-K894 HydrophobicContact CD1-CD 4.24Å; L882-K894 HydrophobicContact CD2-CB 4.45Å; L882-K894 HydrophobicContact CD2-CD 3.88Å; L882-K894 HydrophobicContact CG-CD 3.7Å; N890-K894 PolarHBondContact O-N 2.88Å; L891-K894 PolarHBondContact O-N 3.22Å; N892-K894 PolarHBondContact O-N 3.27Å; K894-Q897 HydrophobicContact CD-CB 4.31Å; K894-M898 WeakPolarHBondContact O-CB 3.3Å; K894-M898 PolarHBondContact O-N 3.03Å; K894-F933 HydrophobicContact CB-CE2 4.37Å; K894-K1949 HydrophobicContact CB-CB 3.9Å; K894-K1949 HydrophobicContact CD-CB 3.5Å; K894-K1949 VanDerWaalsContact CD-CB 3.5Å; K894-K1949 HydrophobicContact CG-CB 3.58Å; K894-K1949 VanDerWaalsContact CG-N 3.25Å |
| 895 | V | 87.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 162.9 | 153.6 | 0 | 0 | 0 | 0 | 109.5 | L891 N892 M898 R899 F933 A936 L937 | L891-V895 WeakPolarHBondContact O-CG2 3.4Å; L891-V895 PolarHBondContact O-N 3.45Å; N892-V895 PolarHBondContact O-N 3.47Å; N892-V895 VanDerWaalsContact O-N 3.11Å; V895-M898 CarbonylContact O-C 3.52Å; V895-M898 PolarHBondContact O-N 3.05Å; V895-M898 VanDerWaalsContact O-N 3.11Å; V895-R899 VanDerWaalsContact CG1-NH2 3.29Å; V895-R899 WeakPolarHBondContact O-CG 3.43Å; V895-R899 PolarHBondContact O-N 3.06Å; V895-F933 HydrophobicContact CG2-CD2 4.33Å; V895-F933 HydrophobicContact CG2-CE2 4.49Å; V895-A936 WeakPolarHBondContact CG1-O 3.38Å; V895-A936 HydrophobicContact CG2-CB 3.69Å; V895-L937 HydrophobicContact CB-CD1 4.46Å; V895-L937 HydrophobicContact CG1-CD1 4.32Å; V895-L937 HydrophobicContact CG2-CB 4.27Å; V895-L937 HydrophobicContact CG2-CD1 4.37Å |
| 896 | E | 84.5 | Confident | 82.2 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 179.7 | -52.6 | -42.4 | 139.3 | 0 | 0 | 112 | N892 M898 R899 D900 | N892-E896 PolarHBondContact O-N 2.93Å; E896-M898 PolarHBondContact O-N 2.9Å; E896-R899 WeakPolarHBondContact O-CA 3.31Å; E896-R899 WeakPolarHBondContact O-CB 3.29Å; E896-R899 PolarHBondContact O-N 2.82Å; E896-R899 IonicContact OE1-CZ 3.42Å; E896-R899 IonicContact OE1-NH1 2.83Å; E896-R899 PolarHBondContact OE1-NH1 3.36Å; E896-R899 WeakPolarHBondContact OE2-CD 3.06Å; E896-R899 IonicContact OE2-CZ 2.69Å; E896-R899 IonicContact OE2-NE 2.71Å; E896-R899 IonicContact OE2-NH1 3.05Å; E896-R899 PolarHBondContact OE2-NH1 3.06Å; E896-D900 PolarHBondContact O-N 2.87Å; E896-D900 VanDerWaalsContact O-N 3.14Å |
| 897 | Q | 82.7 | Confident | 82.1 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.8 | -6.2 | 177.2 | -75.3 | 168.7 | 72.7 | 0 | 0 | 114.6 | L882 E893 K894 | L882-Q897 HydrophobicContact CD1-CB 4.41Å; L882-Q897 VanDerWaalsContact CD1-O 3.27Å; L882-Q897 WeakPolarHBondContact CD1-O 3.17Å; E893-Q897 PolarHBondContact O-N 3.3Å; E893-Q897 PolarHBondContact O-NE2 3.41Å; E893-Q897 PolarHBondContact OE1-NE2 3.43Å; K894-Q897 HydrophobicContact CD-CB 4.31Å |
| 898 | M | 86.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -99 | -29.9 | 167.7 | -174.5 | 63 | 116.9 | 0 | 0 | 112.2 | I879 L882 F883 K894 V895 E896 D900 V901 I902 V911 F933 L937 | I879-M898 HydrophobicContact CG2-CE 4.28Å; L882-M898 HydrophobicContact CD1-CB 4.08Å; L882-M898 HydrophobicContact CD1-SD 4.22Å; L882-M898 HydrophobicContact CD2-CB 3.78Å; L882-M898 HydrophobicContact CD2-CE 4.11Å; L882-M898 HydrophobicContact CD2-CG 4.31Å; L882-M898 HydrophobicContact CD2-SD 4.26Å; F883-M898 HydrophobicContact CE2-CE 3.6Å; F883-M898 HydrophobicContact CZ-CE 4.08Å; K894-M898 WeakPolarHBondContact O-CB 3.3Å; K894-M898 PolarHBondContact O-N 3.03Å; V895-M898 CarbonylContact O-C 3.52Å; V895-M898 PolarHBondContact O-N 3.05Å; V895-M898 VanDerWaalsContact O-N 3.11Å; E896-M898 PolarHBondContact O-N 2.9Å; M898-D900 PolarHBondContact O-N 3.48Å; M898-V901 WeakPolarHBondContact O-CB 3.22Å; M898-V901 PolarHBondContact O-N 3.15Å; M898-V901 HydrophobicContact SD-CB 3.98Å; M898-V901 HydrophobicContact SD-CG1 3.94Å; M898-I902 HydrophobicContact CG-CG2 4.11Å; M898-I902 WeakPolarHBondContact O-CG1 3.47Å; M898-I902 PolarHBondContact O-N 2.95Å; M898-I902 HydrophobicContact SD-CG2 4.12Å; M898-V911 HydrophobicContact CE-CG1 3.58Å; M898-V911 HydrophobicContact SD-CG1 4.48Å; M898-F933 HydrophobicContact CB-CE2 4.42Å; M898-F933 HydrophobicContact CB-CZ 3.83Å; M898-F933 HydrophobicContact CE-CE1 4.19Å; M898-F933 HydrophobicContact CE-CZ 4.03Å; M898-F933 HydrophobicContact CG-CE1 4.34Å; M898-F933 HydrophobicContact CG-CZ 3.77Å; M898-L937 HydrophobicContact CB-CD1 3.66Å; M898-L937 HydrophobicContact CG-CD1 3.7Å; M898-L937 HydrophobicContact CG-CD2 4.16Å |
| 899 | R | 85.9 | Confident | 81.8 | Confident | 95 Ų | 95 | 51.1 Ų | 51.1 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 170.5 | -74.4 | 173 | -177.5 | 159.7 | 5.7 | 110.7 | V895 E896 V901 I902 S903 A936 L937 | V895-R899 VanDerWaalsContact CG1-NH2 3.29Å; V895-R899 WeakPolarHBondContact O-CG 3.43Å; V895-R899 PolarHBondContact O-N 3.06Å; E896-R899 WeakPolarHBondContact O-CA 3.31Å; E896-R899 WeakPolarHBondContact O-CB 3.29Å; E896-R899 PolarHBondContact O-N 2.82Å; E896-R899 IonicContact OE1-CZ 3.42Å; E896-R899 IonicContact OE1-NH1 2.83Å; E896-R899 PolarHBondContact OE1-NH1 3.36Å; E896-R899 WeakPolarHBondContact OE2-CD 3.06Å; E896-R899 IonicContact OE2-CZ 2.69Å; E896-R899 IonicContact OE2-NE 2.71Å; E896-R899 IonicContact OE2-NH1 3.05Å; E896-R899 PolarHBondContact OE2-NH1 3.06Å; R899-V901 VanDerWaalsContact C-N 3.29Å; R899-V901 PolarHBondContact O-N 2.75Å; R899-I902 HydrophobicContact CG-CD1 4.49Å; R899-S903 WeakPolarHBondContact O-CB 3.41Å; R899-S903 PolarHBondContact O-N 2.73Å; R899-A936 PolarHBondContact NH2-O 3.31Å; R899-A936 VanDerWaalsContact NH2-O 3.16Å; R899-L937 HydrophobicContact CG-CD1 4.11Å |
| 900 | D | 80.3 | Confident | 82 | Confident | 105 Ų | 105 | 47.3 Ų | 47.3 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -56.1 | -42 | 170.2 | -61.9 | -30.2 | 0 | 0 | 0 | 112.4 | E896 M898 S903 | E896-D900 PolarHBondContact O-N 2.87Å; E896-D900 VanDerWaalsContact O-N 3.14Å; M898-D900 PolarHBondContact O-N 3.48Å; D900-S903 WeakPolarHBondContact O-CB 3.44Å; D900-S903 PolarHBondContact O-OG 2.86Å |
| 901 | V | 77.2 | Confident | 81.9 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.8 | -40 | -175.5 | 166.2 | 0 | 0 | 0 | 0 | 113 | I875 Q878 I879 M898 R899 S903 N907 | I875-V901 HydrophobicContact CG2-CG1 3.64Å; I875-V901 HydrophobicContact CG2-CG2 4.46Å; Q878-V901 VanDerWaalsContact CD-CG2 3.46Å; Q878-V901 HydrophobicContact CG-CG2 4.09Å; I879-V901 HydrophobicContact CD1-CG1 3.68Å; I879-V901 HydrophobicContact CG1-CG1 3.59Å; M898-V901 WeakPolarHBondContact O-CB 3.22Å; M898-V901 PolarHBondContact O-N 3.15Å; M898-V901 HydrophobicContact SD-CB 3.98Å; M898-V901 HydrophobicContact SD-CG1 3.94Å; R899-V901 VanDerWaalsContact C-N 3.29Å; R899-V901 PolarHBondContact O-N 2.75Å; V901-S903 VanDerWaalsContact C-N 3.28Å; V901-N907 PolarHBondContact O-ND2 2.86Å |
| 902 | I | 80 | Confident | 82 | Confident | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -82.4 | -6.9 | 178 | 71.6 | -162.9 | 0 | 0 | 0 | 112.7 | M898 R899 H904 L937 C939 | M898-I902 HydrophobicContact CG-CG2 4.11Å; M898-I902 WeakPolarHBondContact O-CG1 3.47Å; M898-I902 PolarHBondContact O-N 2.95Å; M898-I902 HydrophobicContact SD-CG2 4.12Å; R899-I902 HydrophobicContact CG-CD1 4.49Å; I902-H904 PolarHBondContact O-N 3.13Å; I902-L937 HydrophobicContact CD1-CD1 4.02Å; I902-L937 HydrophobicContact CD1-CD2 3.81Å; I902-L937 HydrophobicContact CD1-CG 3.94Å; I902-C939 HydrophobicContact CD1-CB 3.76Å |
| 903 | S | 74.5 | Confident | 82 | Confident | 92 Ų | 92 | 41 Ų | 41 | 64% | 0.643 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.8 | 174.1 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | R899 D900 V901 P905 | R899-S903 WeakPolarHBondContact O-CB 3.41Å; R899-S903 PolarHBondContact O-N 2.73Å; D900-S903 WeakPolarHBondContact O-CB 3.44Å; D900-S903 PolarHBondContact O-OG 2.86Å; V901-S903 VanDerWaalsContact C-N 3.28Å; S903-P905 WeakPolarHBondContact O-CD 3.37Å |
| 904 | H | 76.3 | Confident | 82.2 | Confident | 115 Ų | 115 | 38.8 Ų | 38.8 | 53% | 0.532 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -90.9 | 109 | 173.4 | -155 | -87.2 | 0 | 0 | 0 | 109.8 | I902 S906 N907 | I902-H904 PolarHBondContact O-N 3.13Å; H904-S906 PolarHBondContact ND1-OG 3.47Å; H904-S906 PolarHBondContact O-N 2.84Å; H904-N907 PolarHBondContact O-N 3.33Å |
| 905 | P | 70.5 | Confident | 82.3 | Confident | 87 Ų | 87 | 38.7 Ų | 38.7 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -61.8 | -23.9 | -164.8 | -27 | 36.2 | 0 | 0 | 0 | 115.4 | S903 N907 T908 | S903-P905 WeakPolarHBondContact O-CD 3.37Å; P905-N907 PolarHBondContact O-N 3.02Å; P905-T908 PolarHBondContact O-N 3.2Å; P905-T908 PolarHBondContact O-OG1 3.43Å |
| 906 | S | 73.9 | Confident | 82.4 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -60.6 | -25.2 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | Y869 H904 | Y869-S906 WeakPolarHBondContact CB-O 3.2Å; H904-S906 PolarHBondContact ND1-OG 3.47Å; H904-S906 PolarHBondContact O-N 2.84Å |
| 907 | N | 81.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -80.8 | -29.2 | -173.1 | -58.7 | -19.7 | 0 | 0 | 0 | 111.8 | P871 I875 V901 H904 P905 W910 V911 | P871-N907 HydrophobicContact CB-CB 4.33Å; P871-N907 WeakPolarHBondContact CB-OD1 3.42Å; P871-N907 HydrophobicContact CG-CB 4.27Å; I875-N907 VanDerWaalsContact CD1-ND2 3.28Å; I875-N907 WeakPolarHBondContact CD1-ND2 3.43Å; V901-N907 PolarHBondContact O-ND2 2.86Å; H904-N907 PolarHBondContact O-N 3.33Å; P905-N907 PolarHBondContact O-N 3.02Å; N907-W910 PolarHBondContact O-N 3.11Å; N907-V911 VanDerWaalsContact O-CG2 3.31Å; N907-V911 WeakPolarHBondContact O-CG2 3.31Å; N907-V911 PolarHBondContact O-N 3.29Å |
| 908 | T | 82.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | -168.9 | -44.2 | 0 | 0 | 0 | 0 | 114.4 | P905 W910 V911 A912 Q941 L942 L945 | P905-T908 PolarHBondContact O-N 3.2Å; P905-T908 PolarHBondContact O-OG1 3.43Å; T908-W910 PolarHBondContact O-N 3.02Å; T908-V911 PolarHBondContact O-N 3.12Å; T908-A912 PolarHBondContact O-N 3.5Å; T908-A912 VanDerWaalsContact O-N 3.14Å; T908-Q941 HydrophobicContact CG2-CG 4.46Å; T908-L942 HydrophobicContact CG2-CB 3.77Å; T908-L942 HydrophobicContact CG2-CD1 3.7Å; T908-L942 HydrophobicContact CG2-CG 4.34Å; T908-L942 WeakPolarHBondContact O-CD1 3.42Å; T908-L945 HydrophobicContact CG2-CD1 3.76Å |
| 909 | P | 82.3 | Confident | 82.7 | Confident | 39 Ų | 39 | 35 Ų | 35 | 25% | 0.253 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 176 | -22.8 | 34.7 | 0 | 0 | 0 | 112.6 | Y869 A912 Q913 L945 | Y869-P909 HydrophobicContact CD2-CB 4.47Å; Y869-P909 HydrophobicContact CD2-CG 4.45Å; Y869-P909 HydrophobicContact CG-CB 4.4Å; Y869-P909 HydrophobicContact CG-CG 4.16Å; P909-A912 WeakPolarHBondContact O-CB 3.45Å; P909-A912 PolarHBondContact O-N 3.21Å; P909-Q913 PolarHBondContact O-N 2.84Å; P909-L945 HydrophobicContact CG-CD1 4.34Å |
| 910 | W | 84.7 | Confident | 83 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.9 | -34 | 178.7 | -175.4 | 93.8 | 0 | 0 | 0 | 112.8 | Y869 P871 Q876 I879 N907 T908 A912 Q913 Y914 | Y869-W910 WeakPolarHBondContact O-CB 3.47Å; P871-W910 VanDerWaalsContact CD-CB 3.44Å; P871-W910 VanDerWaalsContact CD-CD2 3.4Å; P871-W910 HydrophobicContact CG-CB 3.83Å; P871-W910 HydrophobicContact CG-CD2 3.78Å; P871-W910 HydrophobicContact CG-CE3 3.59Å; P871-W910 HydrophobicContact CG-CG 3.9Å; P871-W910 HydrophobicContact CG-CZ3 4.44Å; Q876-W910 HydrophobicContact CB-CH2 3.69Å; Q876-W910 HydrophobicContact CB-CZ2 4.17Å; Q876-W910 HydrophobicContact CB-CZ3 3.99Å; Q876-W910 HydrophobicContact CG-CD2 4.14Å; Q876-W910 HydrophobicContact CG-CE3 4Å; Q876-W910 HydrophobicContact CG-CH2 3.67Å; Q876-W910 HydrophobicContact CG-CZ2 3.82Å; Q876-W910 HydrophobicContact CG-CZ3 3.77Å; I879-W910 HydrophobicContact CB-CZ3 4.12Å; I879-W910 HydrophobicContact CD1-CE3 4.06Å; I879-W910 HydrophobicContact CD1-CZ3 3.83Å; I879-W910 HydrophobicContact CG2-CZ3 3.91Å; N907-W910 PolarHBondContact O-N 3.11Å; T908-W910 PolarHBondContact O-N 3.02Å; W910-A912 PolarHBondContact O-N 3.05Å; W910-Q913 PolarHBondContact O-N 3.43Å; W910-Y914 AromaticContact CH2-CD2 3.32Å; W910-Y914 HydrophobicContact CH2-CD2 3.32Å; W910-Y914 HydrophobicContact CH2-CE2 4.08Å; W910-Y914 AromaticContact CH2-CG 3.6Å; W910-Y914 HydrophobicContact CH2-CG 3.6Å; W910-Y914 AromaticContact CZ2-CD2 3.71Å; W910-Y914 HydrophobicContact CZ2-CD2 3.71Å; W910-Y914 HydrophobicContact CZ2-CG 4.16Å; W910-Y914 HydrophobicContact CZ3-CD2 4.05Å; W910-Y914 AromaticContact CZ3-CG 3.84Å; W910-Y914 HydrophobicContact CZ3-CG 3.84Å; W910-Y914 VanDerWaalsContact O-CB 3.28Å; W910-Y914 WeakPolarHBondContact O-CB 3.22Å; W910-Y914 PolarHBondContact O-N 3.25Å |
| 911 | V | 86.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.4 | -41.1 | 171.7 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | I879 M898 N907 T908 L915 L942 | I879-V911 HydrophobicContact CD1-CG2 3.49Å; I879-V911 VanDerWaalsContact CD1-CG2 3.49Å; I879-V911 HydrophobicContact CG1-CG2 4.17Å; M898-V911 HydrophobicContact CE-CG1 3.58Å; M898-V911 HydrophobicContact SD-CG1 4.48Å; N907-V911 VanDerWaalsContact O-CG2 3.31Å; N907-V911 WeakPolarHBondContact O-CG2 3.31Å; N907-V911 PolarHBondContact O-N 3.29Å; T908-V911 PolarHBondContact O-N 3.12Å; V911-L915 VanDerWaalsContact O-CB 3.23Å; V911-L915 WeakPolarHBondContact O-CB 3.37Å; V911-L915 PolarHBondContact O-N 3.39Å; V911-L942 HydrophobicContact CB-CD1 3.86Å; V911-L942 HydrophobicContact CG1-CD1 3.68Å; V911-L942 HydrophobicContact CG1-CD2 3.9Å; V911-L942 HydrophobicContact CG1-CG 4.47Å |
| 912 | A | 88.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T908 P909 W910 L915 V916 L942 L945 V946 | T908-A912 PolarHBondContact O-N 3.5Å; T908-A912 VanDerWaalsContact O-N 3.14Å; P909-A912 WeakPolarHBondContact O-CB 3.45Å; P909-A912 PolarHBondContact O-N 3.21Å; W910-A912 PolarHBondContact O-N 3.05Å; A912-L915 PolarHBondContact O-N 3.22Å; A912-V916 PolarHBondContact O-N 2.79Å; A912-L942 HydrophobicContact CB-CD1 3.98Å; A912-L945 HydrophobicContact CB-CB 3.56Å; A912-V946 HydrophobicContact CB-CB 4.45Å; A912-V946 HydrophobicContact CB-CG2 3.72Å |
| 913 | Q | 86.1 | Confident | 83.8 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.5 | -53.7 | 176.1 | -163.7 | -165.4 | 7.6 | 0 | 0 | 112 | T862 P909 W910 L915 V916 V917 | T862-Q913 PolarHBondContact OG1-NE2 3.31Å; P909-Q913 PolarHBondContact O-N 2.84Å; W910-Q913 PolarHBondContact O-N 3.43Å; Q913-L915 VanDerWaalsContact C-N 3.33Å; Q913-L915 PolarHBondContact O-N 2.95Å; Q913-V916 PolarHBondContact O-N 2.96Å; Q913-V917 HydrophobicContact CG-CG2 3.93Å; Q913-V917 WeakPolarHBondContact O-CB 3.38Å; Q913-V917 WeakPolarHBondContact O-CG2 3.43Å; Q913-V917 PolarHBondContact O-N 3.49Å |
| 914 | Y | 87.1 | Confident | 84.3 | Confident | 23 Ų | 23 | 25.2 Ų | 25.2 | 9% | 0.09 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 178.4 | 175 | -90.1 | 0 | 0 | 0 | 111.9 | I879 S880 F883 W910 K918 R919 | I879-Y914 HydrophobicContact CG2-CD1 4.01Å; I879-Y914 HydrophobicContact CG2-CE1 4.26Å; S880-Y914 WeakPolarHBondContact CA-OH 3.48Å; S880-Y914 WeakPolarHBondContact CB-OH 3.2Å; S880-Y914 PolarHBondContact OG-OH 2.91Å; F883-Y914 HydrophobicContact CB-CE1 3.99Å; F883-Y914 AromaticContact CD2-CD1 3.98Å; F883-Y914 HydrophobicContact CD2-CD1 3.98Å; F883-Y914 AromaticContact CD2-CE1 3.61Å; F883-Y914 HydrophobicContact CD2-CE1 3.61Å; F883-Y914 HydrophobicContact CE2-CD1 4.35Å; F883-Y914 HydrophobicContact CE2-CE1 4.41Å; F883-Y914 AromaticContact CG-CE1 3.95Å; F883-Y914 HydrophobicContact CG-CE1 3.95Å; W910-Y914 AromaticContact CH2-CD2 3.32Å; W910-Y914 HydrophobicContact CH2-CD2 3.32Å; W910-Y914 HydrophobicContact CH2-CE2 4.08Å; W910-Y914 AromaticContact CH2-CG 3.6Å; W910-Y914 HydrophobicContact CH2-CG 3.6Å; W910-Y914 AromaticContact CZ2-CD2 3.71Å; W910-Y914 HydrophobicContact CZ2-CD2 3.71Å; W910-Y914 HydrophobicContact CZ2-CG 4.16Å; W910-Y914 HydrophobicContact CZ3-CD2 4.05Å; W910-Y914 AromaticContact CZ3-CG 3.84Å; W910-Y914 HydrophobicContact CZ3-CG 3.84Å; W910-Y914 VanDerWaalsContact O-CB 3.28Å; W910-Y914 WeakPolarHBondContact O-CB 3.22Å; W910-Y914 PolarHBondContact O-N 3.25Å; Y914-K918 HydrophobicContact CD2-CB 4.26Å; Y914-K918 HydrophobicContact CD2-CG 4.28Å; Y914-K918 HydrophobicContact CE2-CB 4.28Å; Y914-K918 WeakPolarHBondContact O-CA 3.47Å; Y914-K918 VanDerWaalsContact O-CB 3.31Å; Y914-K918 WeakPolarHBondContact O-CB 3.47Å; Y914-K918 PolarHBondContact O-N 3.33Å; Y914-R919 HydrophobicContact CE1-CG 4.07Å; Y914-R919 PolarHBondContact OH-NE 2.66Å; Y914-R919 VanDerWaalsContact OH-NE 3.15Å; Y914-R919 PolarHBondContact OH-NH2 3.34Å |
| 915 | L | 89.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -60.6 | -52.3 | 178.8 | 173.2 | 44.2 | 0 | 0 | 0 | 111.5 | F883 V911 A912 Q913 R919 I920 Y930 L934 V946 | F883-L915 HydrophobicContact CD1-CD1 3.93Å; F883-L915 HydrophobicContact CE1-CB 4.29Å; F883-L915 HydrophobicContact CE1-CD1 3.34Å; F883-L915 HydrophobicContact CE1-CD2 3.85Å; F883-L915 HydrophobicContact CE1-CG 4Å; F883-L915 HydrophobicContact CZ-CB 4.13Å; F883-L915 HydrophobicContact CZ-CD1 4.02Å; F883-L915 HydrophobicContact CZ-CD2 3.82Å; F883-L915 HydrophobicContact CZ-CG 4.2Å; V911-L915 VanDerWaalsContact O-CB 3.23Å; V911-L915 WeakPolarHBondContact O-CB 3.37Å; V911-L915 PolarHBondContact O-N 3.39Å; A912-L915 PolarHBondContact O-N 3.22Å; Q913-L915 VanDerWaalsContact C-N 3.33Å; Q913-L915 PolarHBondContact O-N 2.95Å; L915-R919 HydrophobicContact CD1-CB 4.12Å; L915-R919 VanDerWaalsContact O-CB 3.25Å; L915-R919 WeakPolarHBondContact O-CB 3.42Å; L915-R919 PolarHBondContact O-N 3.24Å; L915-I920 HydrophobicContact CD1-CD1 3.46Å; L915-I920 VanDerWaalsContact CD1-CD1 3.46Å; L915-I920 HydrophobicContact CD1-CG1 3.92Å; L915-I920 HydrophobicContact CG-CD1 3.57Å; L915-I920 PolarHBondContact O-N 3.21Å; L915-Y930 HydrophobicContact CD1-CD2 4.36Å; L915-Y930 HydrophobicContact CD1-CG 4.36Å; L915-L934 HydrophobicContact CD2-CD1 4.03Å; L915-L934 HydrophobicContact CD2-CD2 3.88Å; L915-L934 HydrophobicContact CD2-CG 4.17Å; L915-V946 HydrophobicContact CD2-CG1 4.45Å; L915-V946 HydrophobicContact CD2-CG2 3.95Å |
| 916 | V | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -67.1 | -53.6 | -179 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | A912 Q913 I920 S921 V946 E949 T950 N953 L976 | A912-V916 PolarHBondContact O-N 2.79Å; Q913-V916 PolarHBondContact O-N 2.96Å; V916-I920 HydrophobicContact CG2-CD1 4.19Å; V916-S921 PolarHBondContact O-N 2.98Å; V916-S921 VanDerWaalsContact O-N 3.11Å; V916-V946 HydrophobicContact CG2-CG1 3.87Å; V916-V946 WeakPolarHBondContact CG2-O 3.47Å; V916-E949 HydrophobicContact CB-CB 4.34Å; V916-E949 HydrophobicContact CB-CG 3.63Å; V916-E949 HydrophobicContact CG1-CG 4.01Å; V916-E949 HydrophobicContact CG2-CB 3.96Å; V916-E949 HydrophobicContact CG2-CG 3.8Å; V916-T950 WeakPolarHBondContact CG2-OG1 3.21Å; V916-N953 HydrophobicContact CG1-CB 4.03Å; V916-N953 WeakPolarHBondContact CG1-ND2 3.45Å; V916-L976 HydrophobicContact CG1-CD2 3.79Å |
| 917 | V | 86.3 | Confident | 86.5 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -75.2 | -35.6 | -166.6 | 179.6 | 0 | 0 | 0 | 0 | 112.6 | V859 Q913 S921 E949 | V859-V917 HydrophobicContact CB-CG1 4.24Å; V859-V917 HydrophobicContact CG2-CG1 3.2Å; Q913-V917 HydrophobicContact CG-CG2 3.93Å; Q913-V917 WeakPolarHBondContact O-CB 3.38Å; Q913-V917 WeakPolarHBondContact O-CG2 3.43Å; Q913-V917 PolarHBondContact O-N 3.49Å; V917-S921 PolarHBondContact O-OG 3.12Å; V917-E949 HydrophobicContact CG2-CG 4.47Å; V917-E949 WeakPolarHBondContact CG2-OE1 3.4Å |
| 918 | K | 84.8 | Confident | 86.9 | Confident | 61 Ų | 61 | 21.9 Ų | 21.9 | 27% | 0.265 | 12% | 0.116 | S | C | . | . | I | π-helix | trans | -105.7 | -16.9 | -175.4 | -66.2 | -63.7 | -165.7 | 170.7 | 0 | 114.9 | I855 Y914 | I855-K918 HydrophobicContact CD1-CD 3.58Å; Y914-K918 HydrophobicContact CD2-CB 4.26Å; Y914-K918 HydrophobicContact CD2-CG 4.28Å; Y914-K918 HydrophobicContact CE2-CB 4.28Å; Y914-K918 WeakPolarHBondContact O-CA 3.47Å; Y914-K918 VanDerWaalsContact O-CB 3.31Å; Y914-K918 WeakPolarHBondContact O-CB 3.47Å; Y914-K918 PolarHBondContact O-N 3.33Å |
| 919 | R | 88.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 22.2 Ų | 22.2 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -113.8 | -67.5 | -178.2 | -54.1 | -61.3 | -172.8 | 161.6 | 0.2 | 112 | F883 N884 Y914 L915 S921 A922 E923 Y930 | F883-R919 HydrophobicContact CB-CG 4.07Å; F883-R919 HydrophobicContact CD1-CG 4.11Å; F883-R919 HydrophobicContact CG-CG 4.16Å; N884-R919 VanDerWaalsContact CG-NH1 3.26Å; N884-R919 PolarHBondContact ND2-NH2 2.8Å; N884-R919 PolarHBondContact OD1-NH1 2.92Å; Y914-R919 HydrophobicContact CE1-CG 4.07Å; Y914-R919 PolarHBondContact OH-NE 2.66Å; Y914-R919 VanDerWaalsContact OH-NE 3.15Å; Y914-R919 PolarHBondContact OH-NH2 3.34Å; L915-R919 HydrophobicContact CD1-CB 4.12Å; L915-R919 VanDerWaalsContact O-CB 3.25Å; L915-R919 WeakPolarHBondContact O-CB 3.42Å; L915-R919 PolarHBondContact O-N 3.24Å; R919-S921 VanDerWaalsContact C-N 3.31Å; R919-S921 PolarHBondContact O-N 3.28Å; R919-A922 PolarHBondContact O-N 2.95Å; R919-A922 VanDerWaalsContact O-N 3.09Å; R919-E923 WeakPolarHBondContact CD-OE1 3.49Å; R919-E923 IonicContact CZ-OE1 2.67Å; R919-E923 IonicContact NE-OE1 3.74Å; R919-E923 IonicContact NH1-OE1 2.74Å; R919-E923 PolarHBondContact NH1-OE1 3.5Å; R919-E923 WeakPolarHBondContact O-CB 3.01Å; R919-E923 WeakPolarHBondContact O-CG 3.35Å; R919-E923 PolarHBondContact O-N 3.18Å; R919-Y930 HydrophobicContact CB-CD2 4.39Å; R919-Y930 HydrophobicContact CB-CE2 3.64Å |
| 920 | I | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -59.8 | -39.1 | -174.2 | -74.8 | 152.2 | 0 | 0 | 0 | 112.8 | L915 V916 A922 H927 Y930 L976 W979 | L915-I920 HydrophobicContact CD1-CD1 3.46Å; L915-I920 VanDerWaalsContact CD1-CD1 3.46Å; L915-I920 HydrophobicContact CD1-CG1 3.92Å; L915-I920 HydrophobicContact CG-CD1 3.57Å; L915-I920 PolarHBondContact O-N 3.21Å; V916-I920 HydrophobicContact CG2-CD1 4.19Å; I920-A922 PolarHBondContact O-N 3.03Å; I920-H927 PolarHBondContact O-CE1 3.46Å; I920-H927 VanDerWaalsContact O-CE1 3.24Å; I920-H927 PolarHBondContact O-NE2 3.4Å; I920-Y930 HydrophobicContact CG1-CD2 4.28Å; I920-L976 HydrophobicContact CG2-CD2 3.85Å; I920-W979 HydrophobicContact CB-CD2 4.42Å; I920-W979 HydrophobicContact CB-CG 4.29Å; I920-W979 HydrophobicContact CD1-CD2 3.63Å; I920-W979 HydrophobicContact CD1-CE3 4.19Å; I920-W979 HydrophobicContact CD1-CG 4.09Å; I920-W979 HydrophobicContact CD1-CH2 4.04Å; I920-W979 HydrophobicContact CD1-CZ2 3.44Å; I920-W979 VanDerWaalsContact CD1-CZ2 3.44Å; I920-W979 HydrophobicContact CD1-CZ3 4.37Å; I920-W979 HydrophobicContact CG1-CD2 3.65Å; I920-W979 HydrophobicContact CG1-CE3 3.9Å; I920-W979 HydrophobicContact CG1-CG 4.03Å; I920-W979 HydrophobicContact CG1-CH2 4.42Å; I920-W979 HydrophobicContact CG1-CZ2 4.19Å; I920-W979 HydrophobicContact CG1-CZ3 4.28Å; I920-W979 HydrophobicContact CG2-CB 3.4Å; I920-W979 VanDerWaalsContact CG2-CB 3.4Å; I920-W979 HydrophobicContact CG2-CD2 3.89Å; I920-W979 HydrophobicContact CG2-CG 3.3Å |
| 921 | S | 88 | Confident | 88.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.7 | 176.8 | 57.8 | 0 | 0 | 0 | 0 | 114 | I855 V916 V917 R919 L972 N975 | I855-S921 WeakPolarHBondContact CG2-OG 3.24Å; V916-S921 PolarHBondContact O-N 2.98Å; V916-S921 VanDerWaalsContact O-N 3.11Å; V917-S921 PolarHBondContact O-OG 3.12Å; R919-S921 VanDerWaalsContact C-N 3.31Å; R919-S921 PolarHBondContact O-N 3.28Å; S921-L972 WeakPolarHBondContact O-CD2 3.31Å; S921-N975 WeakPolarHBondContact O-CB 3.38Å; S921-N975 PolarHBondContact O-ND2 3.29Å |
| 922 | A | 81.7 | Confident | 88.2 | Confident | 34 Ų | 34 | 24.2 Ų | 24.2 | 28% | 0.281 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -31.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I855 R919 I920 L924 | I855-A922 HydrophobicContact CG2-CB 3.8Å; R919-A922 PolarHBondContact O-N 2.95Å; R919-A922 VanDerWaalsContact O-N 3.09Å; I920-A922 PolarHBondContact O-N 3.03Å; A922-L924 PolarHBondContact O-N 2.85Å |
| 923 | E | 85.3 | Confident | 88.4 | Confident | 31 Ų | 31 | 24.2 Ų | 24.2 | 15% | 0.145 | 13% | 0.125 | C | C | . | . | trans | -108.2 | 50.6 | -157.3 | -61 | -168.4 | -133.1 | 0 | 0 | 113.6 | R919 N925 F926 H927 Y930 I1953 | R919-E923 WeakPolarHBondContact CD-OE1 3.49Å; R919-E923 IonicContact CZ-OE1 2.67Å; R919-E923 IonicContact NE-OE1 3.74Å; R919-E923 IonicContact NH1-OE1 2.74Å; R919-E923 PolarHBondContact NH1-OE1 3.5Å; R919-E923 WeakPolarHBondContact O-CB 3.01Å; R919-E923 WeakPolarHBondContact O-CG 3.35Å; R919-E923 PolarHBondContact O-N 3.18Å; E923-N925 PolarHBondContact O-N 3.33Å; E923-F926 HydrophobicContact CB-CB 4.29Å; E923-F926 HydrophobicContact CB-CD2 3.88Å; E923-F926 HydrophobicContact CB-CG 4.44Å; E923-F926 WeakPolarHBondContact O-CB 3.27Å; E923-F926 PolarHBondContact O-N 3.32Å; E923-F926 WeakPolarHBondContact OE2-CD2 3.35Å; E923-H927 PolarHBondContact O-CD2 3.43Å; E923-Y930 HydrophobicContact CB-CE2 4.22Å; E923-Y930 VanDerWaalsContact CD-OH 3.3Å; E923-Y930 PolarHBondContact OE1-OH 2.88Å; E923-Y930 PolarHBondContact OE2-OH 3.38Å; E923-I1953 VanDerWaalsContact OE2-CD1 3.23Å; E923-I1953 WeakPolarHBondContact OE2-CD1 3.5Å | ||
| 924 | L | 85.6 | Confident | 88.5 | Confident | 48 Ų | 48 | 23.9 Ų | 23.9 | 25% | 0.251 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -38.5 | -46.2 | -179 | -172.3 | 72 | 0 | 0 | 0 | 114.4 | A922 F926 H927 N975 H978 | A922-L924 PolarHBondContact O-N 2.85Å; L924-F926 PolarHBondContact O-N 3.18Å; L924-H927 WeakPolarHBondContact CA-NE2 3.45Å; L924-H927 PolarHBondContact O-CD2 3.13Å; L924-H927 PolarHBondContact O-N 2.97Å; L924-N975 HydrophobicContact CD1-CB 4.47Å; L924-H978 HydrophobicContact CD1-CB 3.6Å; L924-H978 VanDerWaalsContact CD1-ND1 3.3Å; L924-H978 WeakPolarHBondContact CD1-ND1 3.49Å |
| 925 | N | 85.3 | Confident | 88.6 | Confident | 123 Ų | 123 | 26.5 Ų | 26.5 | 66% | 0.658 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -64.9 | -4 | -178.8 | -63.9 | -27.7 | 0 | 0 | 0 | 114.8 | E923 | E923-N925 PolarHBondContact O-N 3.33Š|
| 926 | F | 88.3 | Confident | 88.4 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -114 | -0.6 | 179.7 | -68.9 | -93.7 | 0 | 0 | 0 | 113.5 | E923 L924 N928 L929 Y930 I1953 R1956 | E923-F926 HydrophobicContact CB-CB 4.29Å; E923-F926 HydrophobicContact CB-CD2 3.88Å; E923-F926 HydrophobicContact CB-CG 4.44Å; E923-F926 WeakPolarHBondContact O-CB 3.27Å; E923-F926 PolarHBondContact O-N 3.32Å; E923-F926 WeakPolarHBondContact OE2-CD2 3.35Å; L924-F926 PolarHBondContact O-N 3.18Å; F926-N928 PolarHBondContact O-N 3.04Å; F926-L929 HydrophobicContact CD1-CD2 4.37Å; F926-L929 WeakPolarHBondContact O-CA 3.25Å; F926-L929 WeakPolarHBondContact O-CB 3.49Å; F926-L929 PolarHBondContact O-N 3.21Å; F926-Y930 HydrophobicContact CB-CD2 3.95Å; F926-Y930 HydrophobicContact CB-CE1 4.22Å; F926-Y930 HydrophobicContact CB-CE2 3.55Å; F926-Y930 HydrophobicContact CB-CG 4.45Å; F926-Y930 HydrophobicContact CG-CE2 4.48Å; F926-Y930 PolarHBondContact O-N 2.91Å; F926-I1953 HydrophobicContact CD1-CD1 3.62Å; F926-I1953 HydrophobicContact CD1-CG1 4.13Å; F926-I1953 HydrophobicContact CD2-CD1 4.47Å; F926-I1953 HydrophobicContact CE1-CB 4.46Å; F926-I1953 HydrophobicContact CE1-CD1 3.33Å; F926-I1953 HydrophobicContact CE1-CG1 3.35Å; F926-I1953 HydrophobicContact CE2-CD1 4.22Å; F926-I1953 HydrophobicContact CE2-CG2 4.46Å; F926-I1953 HydrophobicContact CG-CD1 4.17Å; F926-I1953 HydrophobicContact CZ-CB 4.28Å; F926-I1953 HydrophobicContact CZ-CD1 3.64Å; F926-I1953 HydrophobicContact CZ-CG1 3.6Å; F926-I1953 HydrophobicContact CZ-CG2 3.93Å; F926-R1956 HydrophobicContact CZ-CB 4.35Å; F926-R1956 HydrophobicContact CZ-CG 4.45Å |
| 927 | H | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | -170.3 | -70.1 | -162.1 | 0 | 0 | 0 | 112.6 | I920 E923 L924 L929 Y930 F931 N975 H978 W979 L982 | I920-H927 PolarHBondContact O-CE1 3.46Å; I920-H927 VanDerWaalsContact O-CE1 3.24Å; I920-H927 PolarHBondContact O-NE2 3.4Å; E923-H927 PolarHBondContact O-CD2 3.43Å; L924-H927 WeakPolarHBondContact CA-NE2 3.45Å; L924-H927 PolarHBondContact O-CD2 3.13Å; L924-H927 PolarHBondContact O-N 2.97Å; H927-L929 PolarHBondContact O-N 3.09Å; H927-Y930 PolarHBondContact O-N 2.71Å; H927-F931 VanDerWaalsContact O-CB 3.25Å; H927-F931 WeakPolarHBondContact O-CB 3.44Å; H927-F931 PolarHBondContact O-N 3.26Å; H927-N975 PolarHBondContact CE1-O 3.5Å; H927-H978 AromaticContact CG-ND1 3.68Å; H927-H978 AromaticContact ND1-ND1 3.28Å; H927-H978 PolarHBondContact ND1-ND1 2.91Å; H927-W979 HydrophobicContact CB-CE3 3.95Å; H927-W979 HydrophobicContact CB-CZ3 4.5Å; H927-W979 PolarHBondContact ND1-N 3.37Å; H927-W979 WeakPolarHBondContact O-CZ3 3.29Å; H927-L982 HydrophobicContact CB-CD1 3.65Å |
| 928 | N | 90.5 | Very high | 88.1 | Confident | 53 Ų | 53 | 32 Ų | 32 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -50.3 | -32.4 | 171.2 | -64.5 | -81.3 | 0 | 0 | 0 | 113.2 | F926 N932 R1029 | F926-N928 PolarHBondContact O-N 3.04Å; N928-N932 WeakPolarHBondContact O-CB 3.49Å; N928-N932 PolarHBondContact O-N 3.28Å; N928-N932 PolarHBondContact O-OD1 3.42Å; N928-N932 VanDerWaalsContact O-OD1 3.08Å; N928-R1029 VanDerWaalsContact OD1-CZ 3.23Å; N928-R1029 PolarHBondContact OD1-NH1 3.33Å; N928-R1029 PolarHBondContact OD1-NH2 3.48Å |
| 929 | L | 90.6 | Very high | 88.1 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -86.4 | -45.4 | -172.4 | -161.1 | 33.4 | 0 | 0 | 0 | 110.7 | L886 Q888 F926 H927 F931 N932 F933 R1956 | L886-L929 HydrophobicContact CB-CD1 4.42Å; L886-L929 HydrophobicContact CB-CG 3.9Å; L886-L929 HydrophobicContact CD2-CB 4.34Å; L886-L929 HydrophobicContact CD2-CD1 3.82Å; L886-L929 HydrophobicContact CD2-CG 3.73Å; L886-L929 WeakPolarHBondContact CD2-O 3.45Å; L886-L929 HydrophobicContact CG-CD1 3.66Å; L886-L929 HydrophobicContact CG-CG 3.65Å; L886-L929 WeakPolarHBondContact O-CD2 3.29Å; Q888-L929 HydrophobicContact CG-CD1 3.81Å; F926-L929 HydrophobicContact CD1-CD2 4.37Å; F926-L929 WeakPolarHBondContact O-CA 3.25Å; F926-L929 WeakPolarHBondContact O-CB 3.49Å; F926-L929 PolarHBondContact O-N 3.21Å; H927-L929 PolarHBondContact O-N 3.09Å; L929-F931 VanDerWaalsContact C-N 3.27Å; L929-F931 PolarHBondContact O-N 3.08Å; L929-N932 PolarHBondContact O-N 2.87Å; L929-F933 PolarHBondContact O-N 3.36Å; L929-F933 VanDerWaalsContact O-N 3.08Å; L929-R1956 VanDerWaalsContact CD2-NH2 3.26Å |
| 930 | Y | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -32.9 | 171.4 | -62.6 | -27.6 | 0 | 0 | 0 | 112.8 | F883 L886 L915 R919 I920 E923 F926 H927 F933 L934 I1953 | F883-Y930 HydrophobicContact CD1-CD1 4.04Å; F883-Y930 AromaticContact CD1-CE1 3.83Å; F883-Y930 HydrophobicContact CD1-CE1 3.83Å; F883-Y930 HydrophobicContact CE1-CD1 4.35Å; L886-Y930 HydrophobicContact CB-CE1 4.5Å; L886-Y930 HydrophobicContact CD2-CD1 4.26Å; L915-Y930 HydrophobicContact CD1-CD2 4.36Å; L915-Y930 HydrophobicContact CD1-CG 4.36Å; R919-Y930 HydrophobicContact CB-CD2 4.39Å; R919-Y930 HydrophobicContact CB-CE2 3.64Å; I920-Y930 HydrophobicContact CG1-CD2 4.28Å; E923-Y930 HydrophobicContact CB-CE2 4.22Å; E923-Y930 VanDerWaalsContact CD-OH 3.3Å; E923-Y930 PolarHBondContact OE1-OH 2.88Å; E923-Y930 PolarHBondContact OE2-OH 3.38Å; F926-Y930 HydrophobicContact CB-CD2 3.95Å; F926-Y930 HydrophobicContact CB-CE1 4.22Å; F926-Y930 HydrophobicContact CB-CE2 3.55Å; F926-Y930 HydrophobicContact CB-CG 4.45Å; F926-Y930 HydrophobicContact CG-CE2 4.48Å; F926-Y930 PolarHBondContact O-N 2.91Å; H927-Y930 PolarHBondContact O-N 2.71Å; Y930-F933 PolarHBondContact O-N 2.96Å; Y930-L934 PolarHBondContact O-N 2.91Å; Y930-L934 VanDerWaalsContact O-N 3.13Å; Y930-I1953 HydrophobicContact CE1-CD1 4.47Å; Y930-I1953 VanDerWaalsContact OH-CD1 3.28Å; Y930-I1953 WeakPolarHBondContact OH-CD1 3.35Å |
| 931 | F | 91.3 | Very high | 87.4 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -51.5 | 174.1 | 173.9 | -101.4 | 0 | 0 | 0 | 111.7 | H927 L929 F933 L934 T935 W979 M983 S987 | H927-F931 VanDerWaalsContact O-CB 3.25Å; H927-F931 WeakPolarHBondContact O-CB 3.44Å; H927-F931 PolarHBondContact O-N 3.26Å; L929-F931 VanDerWaalsContact C-N 3.27Å; L929-F931 PolarHBondContact O-N 3.08Å; F931-F933 PolarHBondContact O-N 2.98Å; F931-F933 VanDerWaalsContact O-N 3.16Å; F931-L934 PolarHBondContact O-N 2.8Å; F931-L934 VanDerWaalsContact O-N 3.13Å; F931-T935 WeakPolarHBondContact CZ-OG1 3.22Å; F931-T935 PolarHBondContact O-N 3.48Å; F931-T935 PolarHBondContact O-OG1 3.06Å; F931-W979 HydrophobicContact CB-CH2 4.28Å; F931-W979 HydrophobicContact CB-CZ3 3.96Å; F931-M983 HydrophobicContact CD2-CG 4.27Å; F931-S987 WeakPolarHBondContact CE2-OG 3.33Å; F931-S987 WeakPolarHBondContact CZ-OG 3.43Å |
| 932 | N | 89.8 | Confident | 87.4 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54 | -36.7 | 174.4 | -77.1 | 16.5 | 0 | 0 | 0 | 111.7 | Q888 L891 N928 L929 T935 A936 | Q888-N932 PolarHBondContact NE2-ND2 3.41Å; Q888-N932 PolarHBondContact OE1-ND2 3.12Å; L891-N932 HydrophobicContact CD1-CB 4.26Å; L891-N932 HydrophobicContact CD2-CB 3.89Å; N928-N932 WeakPolarHBondContact O-CB 3.49Å; N928-N932 PolarHBondContact O-N 3.28Å; N928-N932 PolarHBondContact O-OD1 3.42Å; N928-N932 VanDerWaalsContact O-OD1 3.08Å; L929-N932 PolarHBondContact O-N 2.87Å; N932-T935 PolarHBondContact O-N 2.83Å; N932-A936 WeakPolarHBondContact O-CB 3.38Å; N932-A936 PolarHBondContact O-N 3.48Å |
| 933 | F | 90.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.7 | -43.8 | 177.9 | 173.4 | -91.9 | 0 | 0 | 0 | 113.6 | L882 F883 L886 L891 K894 V895 M898 L929 Y930 F931 T935 A936 L937 K1949 | L882-F933 HydrophobicContact CD2-CE2 3.74Å; L882-F933 HydrophobicContact CD2-CZ 3.58Å; F883-F933 HydrophobicContact CZ-CE1 4.06Å; L886-F933 HydrophobicContact CD1-CD2 4.42Å; L886-F933 HydrophobicContact CD2-CB 3.55Å; L886-F933 HydrophobicContact CD2-CD2 4.37Å; L886-F933 HydrophobicContact CD2-CG 4.23Å; L891-F933 HydrophobicContact CD1-CB 3.83Å; L891-F933 HydrophobicContact CD1-CD2 4.46Å; K894-F933 HydrophobicContact CB-CE2 4.37Å; V895-F933 HydrophobicContact CG2-CD2 4.33Å; V895-F933 HydrophobicContact CG2-CE2 4.49Å; M898-F933 HydrophobicContact CB-CE2 4.42Å; M898-F933 HydrophobicContact CB-CZ 3.83Å; M898-F933 HydrophobicContact CE-CE1 4.19Å; M898-F933 HydrophobicContact CE-CZ 4.03Å; M898-F933 HydrophobicContact CG-CE1 4.34Å; M898-F933 HydrophobicContact CG-CZ 3.77Å; L929-F933 PolarHBondContact O-N 3.36Å; L929-F933 VanDerWaalsContact O-N 3.08Å; Y930-F933 PolarHBondContact O-N 2.96Å; F931-F933 PolarHBondContact O-N 2.98Å; F931-F933 VanDerWaalsContact O-N 3.16Å; F933-T935 VanDerWaalsContact C-N 3.26Å; F933-T935 PolarHBondContact O-N 3.41Å; F933-A936 PolarHBondContact O-N 2.99Å; F933-L937 HydrophobicContact CE1-CD2 4.43Å; F933-L937 WeakPolarHBondContact O-CB 3.28Å; F933-L937 PolarHBondContact O-N 3.41Å; F933-K1949 HydrophobicContact CD2-CD 3.61Å; F933-K1949 HydrophobicContact CE2-CD 3.54Å; F933-K1949 HydrophobicContact CG-CD 4.17Å; F933-K1949 HydrophobicContact CZ-CD 4.06Å |
| 934 | L | 89.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.2 | -70.5 | 177 | 0 | 0 | 0 | 111.4 | L915 Y930 F931 L937 S938 L942 V946 W979 M983 | L915-L934 HydrophobicContact CD2-CD1 4.03Å; L915-L934 HydrophobicContact CD2-CD2 3.88Å; L915-L934 HydrophobicContact CD2-CG 4.17Å; Y930-L934 PolarHBondContact O-N 2.91Å; Y930-L934 VanDerWaalsContact O-N 3.13Å; F931-L934 PolarHBondContact O-N 2.8Å; F931-L934 VanDerWaalsContact O-N 3.13Å; L934-L937 PolarHBondContact O-N 3.02Å; L934-S938 PolarHBondContact O-N 2.96Å; L934-L942 HydrophobicContact CD2-CD2 3.79Å; L934-L942 HydrophobicContact CD2-CG 4.27Å; L934-V946 HydrophobicContact CD1-CB 4.34Å; L934-V946 HydrophobicContact CD1-CG1 3.92Å; L934-V946 HydrophobicContact CD1-CG2 4.25Å; L934-V946 HydrophobicContact CD2-CG2 4.33Å; L934-W979 HydrophobicContact CD1-CH2 3.82Å; L934-W979 HydrophobicContact CD1-CZ2 3.62Å; L934-M983 HydrophobicContact CD1-CE 3.85Å; L934-M983 HydrophobicContact CD1-SD 4.17Å |
| 935 | T | 88 | Confident | 87.7 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -53.3 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | F931 N932 F933 L937 S938 | F931-T935 WeakPolarHBondContact CZ-OG1 3.22Å; F931-T935 PolarHBondContact O-N 3.48Å; F931-T935 PolarHBondContact O-OG1 3.06Å; N932-T935 PolarHBondContact O-N 2.83Å; F933-T935 VanDerWaalsContact C-N 3.26Å; F933-T935 PolarHBondContact O-N 3.41Å; T935-L937 VanDerWaalsContact C-N 3.32Å; T935-L937 PolarHBondContact O-N 2.85Å; T935-S938 PolarHBondContact O-N 3.46Å; T935-S938 PolarHBondContact O-OG 3.49Å |
| 936 | A | 86.6 | Confident | 88 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 22% | 0.223 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -26 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L891 V895 R899 N932 F933 S938 | L891-A936 HydrophobicContact CD2-CB 3.9Å; L891-A936 HydrophobicContact CG-CB 4.15Å; V895-A936 WeakPolarHBondContact CG1-O 3.38Å; V895-A936 HydrophobicContact CG2-CB 3.69Å; R899-A936 PolarHBondContact NH2-O 3.31Å; R899-A936 VanDerWaalsContact NH2-O 3.16Å; N932-A936 WeakPolarHBondContact O-CB 3.38Å; N932-A936 PolarHBondContact O-N 3.48Å; F933-A936 PolarHBondContact O-N 2.99Å; A936-S938 VanDerWaalsContact C-N 3.26Å; A936-S938 PolarHBondContact O-N 3.43Å |
| 937 | L | 86.5 | Confident | 88 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -30.3 | 174.2 | -166.3 | 74.8 | 0 | 0 | 0 | 112.2 | V895 M898 R899 I902 F933 L934 T935 C939 L942 | V895-L937 HydrophobicContact CB-CD1 4.46Å; V895-L937 HydrophobicContact CG1-CD1 4.32Å; V895-L937 HydrophobicContact CG2-CB 4.27Å; V895-L937 HydrophobicContact CG2-CD1 4.37Å; M898-L937 HydrophobicContact CB-CD1 3.66Å; M898-L937 HydrophobicContact CG-CD1 3.7Å; M898-L937 HydrophobicContact CG-CD2 4.16Å; R899-L937 HydrophobicContact CG-CD1 4.11Å; I902-L937 HydrophobicContact CD1-CD1 4.02Å; I902-L937 HydrophobicContact CD1-CD2 3.81Å; I902-L937 HydrophobicContact CD1-CG 3.94Å; F933-L937 HydrophobicContact CE1-CD2 4.43Å; F933-L937 WeakPolarHBondContact O-CB 3.28Å; F933-L937 PolarHBondContact O-N 3.41Å; L934-L937 PolarHBondContact O-N 3.02Å; T935-L937 VanDerWaalsContact C-N 3.32Å; T935-L937 PolarHBondContact O-N 2.85Å; L937-C939 HydrophobicContact CD2-CB 4.04Å; L937-C939 HydrophobicContact CG-CB 4.16Å; L937-C939 PolarHBondContact O-N 3.18Å; L937-L942 HydrophobicContact CD2-CD2 3.45Å; L937-L942 VanDerWaalsContact CD2-CD2 3.45Å |
| 938 | S | 82.7 | Confident | 87.8 | Confident | 87 Ų | 87 | 48 Ų | 48 | 61% | 0.608 | 26% | 0.255 | S | S | * | . | trans | 58.1 | 9.5 | 180 | -57 | 0 | 0 | 0 | 0 | 116 | L934 T935 A936 K940 | L934-S938 PolarHBondContact O-N 2.96Å; T935-S938 PolarHBondContact O-N 3.46Å; T935-S938 PolarHBondContact O-OG 3.49Å; A936-S938 VanDerWaalsContact C-N 3.26Å; A936-S938 PolarHBondContact O-N 3.43Å; S938-K940 PolarHBondContact O-N 2.92Å | ||
| 939 | C | 84.6 | Confident | 87.7 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | trans | -79.2 | 92.2 | -178.8 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | I902 L937 Q941 L942 S943 | I902-C939 HydrophobicContact CD1-CB 3.76Å; L937-C939 HydrophobicContact CD2-CB 4.04Å; L937-C939 HydrophobicContact CG-CB 4.16Å; L937-C939 PolarHBondContact O-N 3.18Å; C939-Q941 PolarHBondContact O-N 2.9Å; C939-Q941 VanDerWaalsContact O-N 3.14Å; C939-L942 HydrophobicContact CB-CB 4.09Å; C939-L942 PolarHBondContact O-N 3.5Å; C939-S943 PolarHBondContact O-N 3.39Å; C939-S943 PolarHBondContact O-OG 2.71Å | ||
| 940 | K | 82.4 | Confident | 87.8 | Confident | 188 Ų | 188 | 46.1 Ų | 46.1 | 82% | 0.817 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -51.5 | -37 | 179.4 | -64.7 | -175.6 | 179.2 | -178.3 | 0 | 113.6 | S938 K944 | S938-K940 PolarHBondContact O-N 2.92Å; K940-K944 PolarHBondContact O-N 3.46Å |
| 941 | Q | 83.7 | Confident | 87.7 | Confident | 116 Ų | 116 | 47.1 Ų | 47.1 | 54% | 0.542 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 178.3 | -172.2 | 178.4 | 4.4 | 0 | 0 | 112 | T908 C939 K944 L945 | T908-Q941 HydrophobicContact CG2-CG 4.46Å; C939-Q941 PolarHBondContact O-N 2.9Å; C939-Q941 VanDerWaalsContact O-N 3.14Å; Q941-K944 PolarHBondContact O-N 3.03Å; Q941-L945 HydrophobicContact CG-CD1 4.11Å; Q941-L945 WeakPolarHBondContact O-CD1 3.31Å; Q941-L945 WeakPolarHBondContact O-CG 3.19Å; Q941-L945 PolarHBondContact O-N 3.13Å; Q941-L945 VanDerWaalsContact O-N 3.1Å |
| 942 | L | 86.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.8 | -175.8 | 67.1 | 0 | 0 | 0 | 110.9 | T908 V911 A912 L934 L937 C939 K944 L945 V946 | T908-L942 HydrophobicContact CG2-CB 3.77Å; T908-L942 HydrophobicContact CG2-CD1 3.7Å; T908-L942 HydrophobicContact CG2-CG 4.34Å; T908-L942 WeakPolarHBondContact O-CD1 3.42Å; V911-L942 HydrophobicContact CB-CD1 3.86Å; V911-L942 HydrophobicContact CG1-CD1 3.68Å; V911-L942 HydrophobicContact CG1-CD2 3.9Å; V911-L942 HydrophobicContact CG1-CG 4.47Å; A912-L942 HydrophobicContact CB-CD1 3.98Å; L934-L942 HydrophobicContact CD2-CD2 3.79Å; L934-L942 HydrophobicContact CD2-CG 4.27Å; L937-L942 HydrophobicContact CD2-CD2 3.45Å; L937-L942 VanDerWaalsContact CD2-CD2 3.45Å; C939-L942 HydrophobicContact CB-CB 4.09Å; C939-L942 PolarHBondContact O-N 3.5Å; L942-K944 VanDerWaalsContact C-N 3.31Å; L942-K944 PolarHBondContact O-N 2.87Å; L942-L945 PolarHBondContact O-N 3.23Å; L942-L945 VanDerWaalsContact O-N 3.1Å; L942-V946 HydrophobicContact CD1-CG2 4.27Å; L942-V946 HydrophobicContact CG-CG2 4.16Å; L942-V946 WeakPolarHBondContact O-CG2 3.19Å; L942-V946 PolarHBondContact O-N 3.43Å |
| 943 | S | 86.6 | Confident | 87.5 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 179.1 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | C939 V946 V947 | C939-S943 PolarHBondContact O-N 3.39Å; C939-S943 PolarHBondContact O-OG 2.71Å; S943-V946 PolarHBondContact O-N 2.91Å; S943-V947 WeakPolarHBondContact O-CG2 3.5Å; S943-V947 PolarHBondContact O-N 2.9Å |
| 944 | K | 86.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 45.2 Ų | 45.2 | 52% | 0.522 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 174 | -173.5 | 170.8 | -176.9 | 173.3 | 0 | 112.2 | K940 Q941 L942 V947 N948 | K940-K944 PolarHBondContact O-N 3.46Å; Q941-K944 PolarHBondContact O-N 3.03Å; L942-K944 VanDerWaalsContact C-N 3.31Å; L942-K944 PolarHBondContact O-N 2.87Å; K944-V947 PolarHBondContact O-N 3.15Å; K944-N948 WeakPolarHBondContact O-CB 3.26Å; K944-N948 VanDerWaalsContact O-CG 3.31Å; K944-N948 PolarHBondContact O-N 2.8Å; K944-N948 PolarHBondContact O-OD1 3.28Å |
| 945 | L | 86.3 | Confident | 87.5 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 178.2 | -72.3 | 161.5 | 0 | 0 | 0 | 112.3 | T908 P909 A912 Q941 L942 N948 E949 | T908-L945 HydrophobicContact CG2-CD1 3.76Å; P909-L945 HydrophobicContact CG-CD1 4.34Å; A912-L945 HydrophobicContact CB-CB 3.56Å; Q941-L945 HydrophobicContact CG-CD1 4.11Å; Q941-L945 WeakPolarHBondContact O-CD1 3.31Å; Q941-L945 WeakPolarHBondContact O-CG 3.19Å; Q941-L945 PolarHBondContact O-N 3.13Å; Q941-L945 VanDerWaalsContact O-N 3.1Å; L942-L945 PolarHBondContact O-N 3.23Å; L942-L945 VanDerWaalsContact O-N 3.1Å; L945-N948 PolarHBondContact O-N 3.14Å; L945-E949 VanDerWaalsContact O-CB 3.28Å; L945-E949 WeakPolarHBondContact O-CB 3.33Å; L945-E949 PolarHBondContact O-N 2.9Å |
| 946 | V | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | A912 L915 V916 L934 L942 S943 T950 W979 M983 | A912-V946 HydrophobicContact CB-CB 4.45Å; A912-V946 HydrophobicContact CB-CG2 3.72Å; L915-V946 HydrophobicContact CD2-CG1 4.45Å; L915-V946 HydrophobicContact CD2-CG2 3.95Å; V916-V946 HydrophobicContact CG2-CG1 3.87Å; V916-V946 WeakPolarHBondContact CG2-O 3.47Å; L934-V946 HydrophobicContact CD1-CB 4.34Å; L934-V946 HydrophobicContact CD1-CG1 3.92Å; L934-V946 HydrophobicContact CD1-CG2 4.25Å; L934-V946 HydrophobicContact CD2-CG2 4.33Å; L942-V946 HydrophobicContact CD1-CG2 4.27Å; L942-V946 HydrophobicContact CG-CG2 4.16Å; L942-V946 WeakPolarHBondContact O-CG2 3.19Å; L942-V946 PolarHBondContact O-N 3.43Å; S943-V946 PolarHBondContact O-N 2.91Å; V946-T950 WeakPolarHBondContact O-CB 3.15Å; V946-T950 PolarHBondContact O-N 3.5Å; V946-T950 PolarHBondContact O-OG1 2.82Å; V946-W979 HydrophobicContact CG1-CZ2 3.98Å; V946-M983 HydrophobicContact CG1-CE 4.31Å; V946-M983 HydrophobicContact CG1-SD 3.7Å |
| 947 | V | 88.7 | Confident | 87.4 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -48.8 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 111 | S943 K944 E949 T950 Y951 M983 | S943-V947 WeakPolarHBondContact O-CG2 3.5Å; S943-V947 PolarHBondContact O-N 2.9Å; K944-V947 PolarHBondContact O-N 3.15Å; V947-E949 VanDerWaalsContact C-N 3.33Å; V947-E949 PolarHBondContact O-N 3.3Å; V947-T950 WeakPolarHBondContact O-CB 3.38Å; V947-T950 PolarHBondContact O-N 3.4Å; V947-T950 VanDerWaalsContact O-N 3.12Å; V947-Y951 HydrophobicContact CG1-CD2 3.84Å; V947-Y951 HydrophobicContact CG1-CE2 3.42Å; V947-Y951 VanDerWaalsContact CG1-CE2 3.42Å; V947-Y951 VanDerWaalsContact O-CD2 3.26Å; V947-Y951 WeakPolarHBondContact O-CD2 3.3Å; V947-Y951 PolarHBondContact O-N 3.27Å; V947-M983 HydrophobicContact CG2-CE 3.66Å; V947-M983 HydrophobicContact CG2-SD 4Å |
| 948 | N | 88.1 | Confident | 87.5 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 176.7 | -75.1 | 17 | 0 | 0 | 0 | 111.9 | K944 L945 T950 Y951 R952 | K944-N948 WeakPolarHBondContact O-CB 3.26Å; K944-N948 VanDerWaalsContact O-CG 3.31Å; K944-N948 PolarHBondContact O-N 2.8Å; K944-N948 PolarHBondContact O-OD1 3.28Å; L945-N948 PolarHBondContact O-N 3.14Å; N948-T950 VanDerWaalsContact C-N 3.34Å; N948-Y951 PolarHBondContact O-N 2.96Å; N948-R952 PolarHBondContact O-N 2.76Å |
| 949 | E | 88.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -34.4 | 178.2 | -179 | 67.7 | -169.5 | 0 | 0 | 111.9 | V916 V917 L945 V947 R952 N953 | V916-E949 HydrophobicContact CB-CB 4.34Å; V916-E949 HydrophobicContact CB-CG 3.63Å; V916-E949 HydrophobicContact CG1-CG 4.01Å; V916-E949 HydrophobicContact CG2-CB 3.96Å; V916-E949 HydrophobicContact CG2-CG 3.8Å; V917-E949 HydrophobicContact CG2-CG 4.47Å; V917-E949 WeakPolarHBondContact CG2-OE1 3.4Å; L945-E949 VanDerWaalsContact O-CB 3.28Å; L945-E949 WeakPolarHBondContact O-CB 3.33Å; L945-E949 PolarHBondContact O-N 2.9Å; V947-E949 VanDerWaalsContact C-N 3.33Å; V947-E949 PolarHBondContact O-N 3.3Å; E949-R952 WeakPolarHBondContact O-CB 3.48Å; E949-R952 PolarHBondContact O-N 3.01Å; E949-R952 IonicContact OE1-CZ 2.73Å; E949-R952 IonicContact OE1-NE 3.81Å; E949-R952 PolarHBondContact OE1-NE 3.37Å; E949-R952 IonicContact OE1-NH2 3.83Å; E949-R952 PolarHBondContact OE1-NH2 3.44Å; E949-R952 IonicContact OE2-CZ 2.75Å; E949-R952 IonicContact OE2-NE 3.92Å; E949-R952 PolarHBondContact OE2-NE 2.99Å; E949-R952 IonicContact OE2-NH2 2.71Å; E949-N953 WeakPolarHBondContact CG-ND2 3.39Å; E949-N953 WeakPolarHBondContact O-CB 3.45Å; E949-N953 PolarHBondContact O-N 3.47Å; E949-N953 PolarHBondContact O-ND2 3.24Å; E949-N953 PolarHBondContact OE1-ND2 3.24Å |
| 950 | T | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 173.6 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | V916 V946 V947 N948 R952 N953 I954 L976 W979 L980 | V916-T950 WeakPolarHBondContact CG2-OG1 3.21Å; V946-T950 WeakPolarHBondContact O-CB 3.15Å; V946-T950 PolarHBondContact O-N 3.5Å; V946-T950 PolarHBondContact O-OG1 2.82Å; V947-T950 WeakPolarHBondContact O-CB 3.38Å; V947-T950 PolarHBondContact O-N 3.4Å; V947-T950 VanDerWaalsContact O-N 3.12Å; N948-T950 VanDerWaalsContact C-N 3.34Å; T950-R952 VanDerWaalsContact C-N 3.34Å; T950-R952 PolarHBondContact O-N 2.84Å; T950-N953 PolarHBondContact O-N 3.47Å; T950-I954 HydrophobicContact CG2-CD1 3.81Å; T950-I954 WeakPolarHBondContact O-CB 3.19Å; T950-I954 VanDerWaalsContact O-CG1 3.31Å; T950-I954 WeakPolarHBondContact O-CG1 3.3Å; T950-I954 PolarHBondContact O-N 3.02Å; T950-L976 HydrophobicContact CG2-CD2 4.35Å; T950-W979 PolarHBondContact OG1-NE1 2.93Å; T950-L980 HydrophobicContact CG2-CB 4.11Å; T950-L980 HydrophobicContact CG2-CD1 4.11Å |
| 951 | Y | 91.5 | Very high | 86.7 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 8% | 0.078 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 174.5 | -70.8 | -62.5 | 0 | 0 | 0 | 112.5 | V947 N948 N953 I954 K955 L980 I991 D992 L996 | V947-Y951 HydrophobicContact CG1-CD2 3.84Å; V947-Y951 HydrophobicContact CG1-CE2 3.42Å; V947-Y951 VanDerWaalsContact CG1-CE2 3.42Å; V947-Y951 VanDerWaalsContact O-CD2 3.26Å; V947-Y951 WeakPolarHBondContact O-CD2 3.3Å; V947-Y951 PolarHBondContact O-N 3.27Å; N948-Y951 PolarHBondContact O-N 2.96Å; Y951-N953 PolarHBondContact O-N 3.11Å; Y951-I954 PolarHBondContact O-N 3.41Å; Y951-K955 WeakPolarHBondContact O-CB 3.21Å; Y951-K955 PolarHBondContact O-N 3.3Å; Y951-L980 HydrophobicContact CD1-CD1 4.46Å; Y951-L980 HydrophobicContact CD1-CD2 4.33Å; Y951-L980 HydrophobicContact CE1-CD1 3.85Å; Y951-L980 HydrophobicContact CE1-CD2 3.78Å; Y951-L980 HydrophobicContact CE1-CG 4.48Å; Y951-L980 HydrophobicContact CE2-CD1 4.45Å; Y951-I991 HydrophobicContact CE1-CG2 4.11Å; Y951-D992 PolarHBondContact OH-N 3Å; Y951-D992 VanDerWaalsContact OH-N 3.1Å; Y951-L996 HydrophobicContact CD1-CB 4.04Å; Y951-L996 HydrophobicContact CE1-CB 3.76Å |
| 952 | R | 88.8 | Confident | 86.3 | Confident | 58 Ų | 58 | 36.8 Ų | 36.8 | 22% | 0.219 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 177.2 | -160.1 | -168.5 | 67.6 | 68.1 | 5.3 | 111.5 | A861 N948 E949 T950 K955 V956 | A861-R952 PolarHBondContact O-NH1 3.15Å; N948-R952 PolarHBondContact O-N 2.76Å; E949-R952 WeakPolarHBondContact O-CB 3.48Å; E949-R952 PolarHBondContact O-N 3.01Å; E949-R952 IonicContact OE1-CZ 2.73Å; E949-R952 IonicContact OE1-NE 3.81Å; E949-R952 PolarHBondContact OE1-NE 3.37Å; E949-R952 IonicContact OE1-NH2 3.83Å; E949-R952 PolarHBondContact OE1-NH2 3.44Å; E949-R952 IonicContact OE2-CZ 2.75Å; E949-R952 IonicContact OE2-NE 3.92Å; E949-R952 PolarHBondContact OE2-NE 2.99Å; E949-R952 IonicContact OE2-NH2 2.71Å; T950-R952 VanDerWaalsContact C-N 3.34Å; T950-R952 PolarHBondContact O-N 2.84Å; R952-K955 PolarHBondContact O-N 2.87Å; R952-V956 VanDerWaalsContact O-CG2 3.3Å; R952-V956 WeakPolarHBondContact O-CG2 3.34Å; R952-V956 PolarHBondContact O-N 3.33Å |
| 953 | N | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -38.1 | 178.6 | -80.2 | -83.9 | 0 | 0 | 0 | 112.7 | L858 V916 E949 T950 Y951 V956 L957 L976 | L858-N953 HydrophobicContact CD2-CB 3.58Å; L858-N953 WeakPolarHBondContact CD2-O 3.39Å; L858-N953 WeakPolarHBondContact CD2-OD1 3.17Å; V916-N953 HydrophobicContact CG1-CB 4.03Å; V916-N953 WeakPolarHBondContact CG1-ND2 3.45Å; E949-N953 WeakPolarHBondContact CG-ND2 3.39Å; E949-N953 WeakPolarHBondContact O-CB 3.45Å; E949-N953 PolarHBondContact O-N 3.47Å; E949-N953 PolarHBondContact O-ND2 3.24Å; E949-N953 PolarHBondContact OE1-ND2 3.24Å; T950-N953 PolarHBondContact O-N 3.47Å; Y951-N953 PolarHBondContact O-N 3.11Å; N953-V956 WeakPolarHBondContact O-CB 3.49Å; N953-V956 PolarHBondContact O-N 3.44Å; N953-L957 PolarHBondContact O-N 2.94Å; N953-L976 HydrophobicContact CB-CD1 3.9Å; N953-L976 HydrophobicContact CB-CD2 4.3Å |
| 954 | I | 91.6 | Very high | 83.7 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -51.9 | 171.8 | -75.7 | 168.4 | 0 | 0 | 0 | 110.3 | T950 Y951 V956 L957 L958 L973 L976 L980 L996 F1019 | T950-I954 HydrophobicContact CG2-CD1 3.81Å; T950-I954 WeakPolarHBondContact O-CB 3.19Å; T950-I954 VanDerWaalsContact O-CG1 3.31Å; T950-I954 WeakPolarHBondContact O-CG1 3.3Å; T950-I954 PolarHBondContact O-N 3.02Å; Y951-I954 PolarHBondContact O-N 3.41Å; I954-V956 PolarHBondContact O-N 3.1Å; I954-L957 PolarHBondContact O-N 2.79Å; I954-L957 VanDerWaalsContact O-N 3.13Å; I954-L958 HydrophobicContact CG2-CD1 3.56Å; I954-L958 HydrophobicContact CG2-CG 4.14Å; I954-L958 VanDerWaalsContact O-CG 3.32Å; I954-L958 WeakPolarHBondContact O-CG 3.42Å; I954-L958 PolarHBondContact O-N 3.03Å; I954-L973 HydrophobicContact CG2-CD1 4.3Å; I954-L976 HydrophobicContact CD1-CB 4.24Å; I954-L976 HydrophobicContact CG1-CB 3.74Å; I954-L976 HydrophobicContact CG1-CD1 4.24Å; I954-L976 HydrophobicContact CG1-CG 4.47Å; I954-L980 HydrophobicContact CD1-CB 4.12Å; I954-L980 HydrophobicContact CD1-CD2 3.75Å; I954-L980 HydrophobicContact CD1-CG 4.44Å; I954-L996 HydrophobicContact CG2-CD1 3.96Å; I954-F1019 HydrophobicContact CB-CZ 4.42Å; I954-F1019 HydrophobicContact CD1-CE2 3.86Å; I954-F1019 HydrophobicContact CD1-CZ 3.95Å; I954-F1019 HydrophobicContact CG1-CE2 3.96Å; I954-F1019 HydrophobicContact CG1-CZ 4.14Å; I954-F1019 HydrophobicContact CG2-CE1 4.17Å; I954-F1019 HydrophobicContact CG2-CE2 4.06Å; I954-F1019 HydrophobicContact CG2-CZ 3.44Å; I954-F1019 VanDerWaalsContact CG2-CZ 3.44Å |
| 955 | K | 88.4 | Confident | 82.5 | Confident | 121 Ų | 121 | 44 Ų | 44 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.2 | -35.3 | -179.9 | -173.1 | 169.2 | -175.7 | 171.3 | 0 | 112.2 | Y951 R952 C959 | Y951-K955 WeakPolarHBondContact O-CB 3.21Å; Y951-K955 PolarHBondContact O-N 3.3Å; R952-K955 PolarHBondContact O-N 2.87Å; K955-C959 WeakPolarHBondContact O-CB 3.38Å; K955-C959 PolarHBondContact O-N 3.13Å; K955-C959 PolarHBondContact O-SG 3.15Å |
| 956 | V | 85.6 | Confident | 81.7 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -53.3 | 175.1 | 164.7 | 0 | 0 | 0 | 0 | 112.2 | T857 L858 A861 R952 N953 I954 L958 C959 T960 | T857-V956 HydrophobicContact CG2-CG1 4.28Å; T857-V956 WeakPolarHBondContact O-CG1 3.47Å; L858-V956 HydrophobicContact CD2-CB 4.49Å; L858-V956 HydrophobicContact CD2-CG1 4.42Å; A861-V956 HydrophobicContact CB-CB 4.01Å; A861-V956 HydrophobicContact CB-CG1 3.42Å; A861-V956 VanDerWaalsContact CB-CG1 3.42Å; A861-V956 HydrophobicContact CB-CG2 3.34Å; R952-V956 VanDerWaalsContact O-CG2 3.3Å; R952-V956 WeakPolarHBondContact O-CG2 3.34Å; R952-V956 PolarHBondContact O-N 3.33Å; N953-V956 WeakPolarHBondContact O-CB 3.49Å; N953-V956 PolarHBondContact O-N 3.44Å; I954-V956 PolarHBondContact O-N 3.1Å; V956-L958 VanDerWaalsContact C-N 3.31Å; V956-L958 PolarHBondContact O-N 3.07Å; V956-C959 PolarHBondContact O-N 3.49Å; V956-T960 WeakPolarHBondContact O-CG2 3.41Å; V956-T960 PolarHBondContact O-N 3.02Å |
| 957 | L | 87.1 | Confident | 81 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.2 | -21.8 | -177.9 | -63.8 | 170.9 | 0 | 0 | 0 | 113.6 | T857 L858 N953 I954 T960 D969 L972 L973 L976 | T857-L957 HydrophobicContact CG2-CD2 3.71Å; L858-L957 HydrophobicContact CD1-CD1 4.15Å; L858-L957 HydrophobicContact CD2-CD1 3.47Å; L858-L957 VanDerWaalsContact CD2-CD1 3.47Å; L858-L957 HydrophobicContact CD2-CD2 4.06Å; L858-L957 HydrophobicContact CD2-CG 3.45Å; L858-L957 VanDerWaalsContact CD2-CG 3.45Å; L858-L957 HydrophobicContact CG-CD1 3.76Å; L858-L957 HydrophobicContact CG-CD2 4.12Å; L858-L957 HydrophobicContact CG-CG 3.97Å; N953-L957 PolarHBondContact O-N 2.94Å; I954-L957 PolarHBondContact O-N 2.79Å; I954-L957 VanDerWaalsContact O-N 3.13Å; L957-T960 PolarHBondContact O-OG1 3.38Å; L957-D969 HydrophobicContact CD2-CB 3.82Å; L957-L972 HydrophobicContact CD1-CB 3.5Å; L957-L972 HydrophobicContact CD1-CD1 4.45Å; L957-L972 HydrophobicContact CD2-CD1 4.26Å; L957-L973 HydrophobicContact CB-CB 4.15Å; L957-L973 HydrophobicContact CB-CD1 3.95Å; L957-L973 HydrophobicContact CB-CG 4.49Å; L957-L973 HydrophobicContact CD1-CB 3.82Å; L957-L973 HydrophobicContact CD1-CD1 4.44Å; L957-L976 HydrophobicContact CD1-CD1 3.96Å |
| 958 | L | 88.2 | Confident | 80.5 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.6 | -40.5 | 168.8 | -68.1 | 179.7 | 0 | 0 | 0 | 110.6 | I954 V956 K962 L973 L996 L1001 V1016 F1019 Q1098 L1099 | I954-L958 HydrophobicContact CG2-CD1 3.56Å; I954-L958 HydrophobicContact CG2-CG 4.14Å; I954-L958 VanDerWaalsContact O-CG 3.32Å; I954-L958 WeakPolarHBondContact O-CG 3.42Å; I954-L958 PolarHBondContact O-N 3.03Å; V956-L958 VanDerWaalsContact C-N 3.31Å; V956-L958 PolarHBondContact O-N 3.07Å; L958-K962 WeakPolarHBondContact O-CE 3.16Å; L958-K962 PolarHBondContact O-NZ 3.41Å; L958-L973 HydrophobicContact CD2-CD1 3.91Å; L958-L973 HydrophobicContact CD2-CD2 3.69Å; L958-L973 HydrophobicContact CD2-CG 4.45Å; L958-L973 HydrophobicContact CG-CD1 4Å; L958-L996 HydrophobicContact CD1-CD1 3.87Å; L958-L1001 HydrophobicContact CD1-CD1 3.9Å; L958-L1001 HydrophobicContact CD1-CD2 3.91Å; L958-L1001 HydrophobicContact CD2-CD1 4.22Å; L958-L1001 HydrophobicContact CD2-CD2 4.12Å; L958-V1016 HydrophobicContact CD2-CG2 3.98Å; L958-F1019 HydrophobicContact CD1-CE1 4.28Å; L958-F1019 HydrophobicContact CD2-CD1 4.29Å; L958-F1019 HydrophobicContact CD2-CE1 4.38Å; L958-Q1098 WeakPolarHBondContact CB-O 3.47Å; L958-L1099 HydrophobicContact CB-CD2 3.94Å; L958-L1099 HydrophobicContact CD2-CD2 3.75Å; L958-L1099 HydrophobicContact CG-CD2 4.38Å; L958-L1099 CarbonylContact O-C 3.41Å; L958-L1099 VanDerWaalsContact O-CA 3.31Å; L958-L1099 WeakPolarHBondContact O-CA 3.45Å; L958-L1099 VanDerWaalsContact O-O 3.05Å |
| 959 | C | 84.8 | Confident | 80.2 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -84.3 | -6.3 | -178.3 | -70.6 | 0 | 0 | 0 | 0 | 116.2 | K955 V956 | K955-C959 WeakPolarHBondContact O-CB 3.38Å; K955-C959 PolarHBondContact O-N 3.13Å; K955-C959 PolarHBondContact O-SG 3.15Å; V956-C959 PolarHBondContact O-N 3.49Å |
| 960 | T | 78.3 | Confident | 80.1 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -74.5 | 153.3 | 178.5 | 50 | 0 | 0 | 0 | 0 | 112.2 | T857 V956 L957 K962 | T857-T960 HydrophobicContact CG2-CG2 3.24Å; V956-T960 WeakPolarHBondContact O-CG2 3.41Å; V956-T960 PolarHBondContact O-N 3.02Å; L957-T960 PolarHBondContact O-OG1 3.38Å; T960-K962 WeakPolarHBondContact O-CE 3.14Å; T960-K962 PolarHBondContact O-NZ 3.14Å |
| 961 | D | 69.5 | Low | 79.8 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 67% | 0.674 | 27% | 0.267 | S | S | * | . | trans | -67.3 | 134.2 | 174.1 | -175.2 | 16.4 | 0 | 0 | 0 | 110.2 | S963 | D961-S963 VanDerWaalsContact OD1-CB 3.28Å; D961-S963 WeakPolarHBondContact OD1-CB 3.39Å; D961-S963 PolarHBondContact OD1-N 2.95Å; D961-S963 PolarHBondContact OD1-OG 2.96Å; D961-S963 WeakPolarHBondContact OD2-CB 3.32Å; D961-S963 PolarHBondContact OD2-OG 3.32Å | ||
| 962 | K | 76.2 | Confident | 79.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | trans | -117.7 | 12 | -176.6 | -62.8 | 169.7 | -139.8 | 70.4 | 0 | 111.5 | L958 T960 E964 Q1011 E1012 Y1015 | L958-K962 WeakPolarHBondContact O-CE 3.16Å; L958-K962 PolarHBondContact O-NZ 3.41Å; T960-K962 WeakPolarHBondContact O-CE 3.14Å; T960-K962 PolarHBondContact O-NZ 3.14Å; K962-E964 CarbonylContact C-O 3.58Å; K962-E964 PolarHBondContact O-N 3.19Å; K962-Q1011 VanDerWaalsContact O-CD 3.28Å; K962-Q1011 PolarHBondContact O-NE2 3.48Å; K962-E1012 VanDerWaalsContact CD-OE2 3.27Å; K962-E1012 WeakPolarHBondContact CD-OE2 3.41Å; K962-E1012 WeakPolarHBondContact CE-OE2 3.47Å; K962-E1012 IonicContact NZ-OE1 2.98Å; K962-E1012 PolarHBondContact NZ-OE1 3.29Å; K962-E1012 IonicContact NZ-OE2 3.49Å; K962-E1012 PolarHBondContact NZ-OE2 2.79Å; K962-Y1015 HydrophobicContact CB-CE2 4.22Å; K962-Y1015 HydrophobicContact CD-CD1 4Å; K962-Y1015 HydrophobicContact CD-CD2 3.75Å; K962-Y1015 HydrophobicContact CD-CE1 4.25Å; K962-Y1015 HydrophobicContact CD-CE2 4.03Å; K962-Y1015 HydrophobicContact CD-CG 3.75Å; K962-Y1015 HydrophobicContact CG-CD1 4.42Å; K962-Y1015 HydrophobicContact CG-CD2 4.29Å; K962-Y1015 HydrophobicContact CG-CE1 4.17Å; K962-Y1015 HydrophobicContact CG-CE2 4.05Å; K962-Y1015 HydrophobicContact CG-CG 4.49Å | ||
| 963 | S | 61.7 | Low | 79.7 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -49.4 | -43.5 | 170.9 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | D961 Q1011 | D961-S963 VanDerWaalsContact OD1-CB 3.28Å; D961-S963 WeakPolarHBondContact OD1-CB 3.39Å; D961-S963 PolarHBondContact OD1-N 2.95Å; D961-S963 PolarHBondContact OD1-OG 2.96Å; D961-S963 WeakPolarHBondContact OD2-CB 3.32Å; D961-S963 PolarHBondContact OD2-OG 3.32Å; S963-Q1011 PolarHBondContact O-NE2 3.22Å |
| 964 | E | 56.2 | Low | 79.8 | Confident | 156 Ų | 156 | 49.8 Ų | 49.8 | 73% | 0.729 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -93.3 | 138.3 | 165.4 | -64.9 | -160.2 | 161.8 | 0 | 0 | 111.9 | K962 N966 | K962-E964 CarbonylContact C-O 3.58Å; K962-E964 PolarHBondContact O-N 3.19Å; E964-N966 VanDerWaalsContact C-N 3.33Å; E964-N966 PolarHBondContact O-N 3.43Å |
| 965 | P | 60.9 | Low | 79.8 | Confident | 88 Ų | 88 | 50 Ų | 50 | 57% | 0.571 | 26% | 0.264 | S | S | * | . | trans | -76 | 76.8 | -178.3 | 31.7 | -36.1 | 0 | 0 | 0 | 112.6 | F967 | P965-F967 HydrophobicContact CB-CE2 4.3Å; P965-F967 WeakPolarHBondContact O-CD2 3.1Å; P965-F967 WeakPolarHBondContact O-CE2 3.31Å; P965-F967 PolarHBondContact O-N 2.75Å | ||
| 966 | N | 69.9 | Low | 80.1 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -72.4 | 92.8 | 174.9 | -176.5 | -13.5 | 0 | 0 | 0 | 112.3 | E964 S968 D969 R970 Y1015 | E964-N966 VanDerWaalsContact C-N 3.33Å; E964-N966 PolarHBondContact O-N 3.43Å; N966-S968 VanDerWaalsContact C-N 3.27Å; N966-S968 PolarHBondContact O-N 2.8Å; N966-S968 WeakPolarHBondContact OD1-CB 3.1Å; N966-S968 PolarHBondContact OD1-N 3.39Å; N966-S968 PolarHBondContact OD1-OG 2.92Å; N966-D969 HydrophobicContact CB-CB 4.33Å; N966-D969 VanDerWaalsContact CG-CG 3.42Å; N966-D969 PolarHBondContact ND2-OD1 2.8Å; N966-D969 PolarHBondContact ND2-OD2 3.36Å; N966-D969 PolarHBondContact O-N 2.76Å; N966-D969 PolarHBondContact OD1-N 3.09Å; N966-D969 VanDerWaalsContact OD1-N 3.17Å; N966-D969 PolarHBondContact OD1-OD1 2.76Å; N966-R970 PolarHBondContact O-N 2.71Å; N966-Y1015 WeakPolarHBondContact CA-OH 3.43Å; N966-Y1015 PolarHBondContact N-OH 3.39Å; N966-Y1015 PolarHBondContact O-OH 2.86Å | ||
| 967 | F | 75.7 | Confident | 80.4 | Confident | 146 Ų | 146 | 43.2 Ų | 43.2 | 64% | 0.64 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.8 | -26.6 | 177.7 | -66.7 | -90.2 | 0 | 0 | 0 | 114.6 | P965 T971 | P965-F967 HydrophobicContact CB-CE2 4.3Å; P965-F967 WeakPolarHBondContact O-CD2 3.1Å; P965-F967 WeakPolarHBondContact O-CE2 3.31Å; P965-F967 PolarHBondContact O-N 2.75Å; F967-T971 PolarHBondContact O-N 3Å; F967-T971 PolarHBondContact O-OG1 2.87Å |
| 968 | S | 77.7 | Confident | 80.7 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -55.9 | 175.6 | -0.8 | 0 | 0 | 0 | 0 | 109.8 | N854 N966 R970 T971 L972 | N854-S968 WeakPolarHBondContact O-CB 3.45Å; N966-S968 VanDerWaalsContact C-N 3.27Å; N966-S968 PolarHBondContact O-N 2.8Å; N966-S968 WeakPolarHBondContact OD1-CB 3.1Å; N966-S968 PolarHBondContact OD1-N 3.39Å; N966-S968 PolarHBondContact OD1-OG 2.92Å; S968-R970 VanDerWaalsContact C-N 3.31Å; S968-R970 PolarHBondContact O-N 3.19Å; S968-T971 CarbonylContact O-C 3.39Å; S968-T971 WeakPolarHBondContact O-CA 3.44Å; S968-T971 WeakPolarHBondContact O-CB 3.4Å; S968-T971 PolarHBondContact O-N 3.1Å; S968-L972 WeakPolarHBondContact O-CG 3.5Å; S968-L972 PolarHBondContact O-N 2.91Å |
| 969 | D | 82.9 | Confident | 81 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | -175.8 | -71.2 | 20.4 | 0 | 0 | 0 | 111.9 | T857 L957 N966 T971 L972 L973 Y1015 | T857-D969 WeakPolarHBondContact CB-OD1 3.33Å; T857-D969 WeakPolarHBondContact CB-OD2 3.3Å; T857-D969 VanDerWaalsContact CG2-OD2 3.26Å; T857-D969 WeakPolarHBondContact CG2-OD2 3.31Å; T857-D969 PolarHBondContact OG1-OD1 3.12Å; T857-D969 PolarHBondContact OG1-OD2 2.94Å; L957-D969 HydrophobicContact CD2-CB 3.82Å; N966-D969 HydrophobicContact CB-CB 4.33Å; N966-D969 VanDerWaalsContact CG-CG 3.42Å; N966-D969 PolarHBondContact ND2-OD1 2.8Å; N966-D969 PolarHBondContact ND2-OD2 3.36Å; N966-D969 PolarHBondContact O-N 2.76Å; N966-D969 PolarHBondContact OD1-N 3.09Å; N966-D969 VanDerWaalsContact OD1-N 3.17Å; N966-D969 PolarHBondContact OD1-OD1 2.76Å; D969-T971 PolarHBondContact O-N 2.78Å; D969-L972 PolarHBondContact O-N 3.1Å; D969-L973 WeakPolarHBondContact O-CB 3.4Å; D969-L973 PolarHBondContact O-N 3.46Å; D969-Y1015 HydrophobicContact CB-CE1 3.91Å |
| 970 | R | 86.4 | Confident | 81.4 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54 | -38.9 | 171.1 | -173 | -175.6 | -175.5 | -150.9 | -2.7 | 112.1 | N966 S968 K974 L1014 Y1015 | N966-R970 PolarHBondContact O-N 2.71Å; S968-R970 VanDerWaalsContact C-N 3.31Å; S968-R970 PolarHBondContact O-N 3.19Å; R970-K974 WeakPolarHBondContact O-CB 3.3Å; R970-K974 PolarHBondContact O-N 3.17Å; R970-L1014 WeakPolarHBondContact CD-O 3.41Å; R970-L1014 PolarHBondContact NE-O 2.98Å; R970-L1014 PolarHBondContact NH2-O 3.26Å; R970-Y1015 HydrophobicContact CB-CD1 3.9Å; R970-Y1015 HydrophobicContact CB-CE1 3.8Å; R970-Y1015 HydrophobicContact CB-CG 4.31Å; R970-Y1015 HydrophobicContact CG-CD1 4.45Å; R970-Y1015 HydrophobicContact CG-CG 4.39Å |
| 971 | T | 85.2 | Confident | 82 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 32% | 0.319 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -82.6 | -36.6 | -179.4 | -45.3 | 0 | 0 | 0 | 0 | 112.1 | T853 F967 S968 D969 L973 K974 N975 | T853-T971 HydrophobicContact CG2-CG2 3.43Å; T853-T971 VanDerWaalsContact CG2-CG2 3.43Å; F967-T971 PolarHBondContact O-N 3Å; F967-T971 PolarHBondContact O-OG1 2.87Å; S968-T971 CarbonylContact O-C 3.39Å; S968-T971 WeakPolarHBondContact O-CA 3.44Å; S968-T971 WeakPolarHBondContact O-CB 3.4Å; S968-T971 PolarHBondContact O-N 3.1Å; D969-T971 PolarHBondContact O-N 2.78Å; T971-L973 VanDerWaalsContact C-N 3.33Å; T971-L973 PolarHBondContact O-N 2.87Å; T971-K974 PolarHBondContact O-N 3.37Å; T971-N975 PolarHBondContact O-N 3.18Å; T971-N975 PolarHBondContact O-ND2 2.61Å; T971-N975 PolarHBondContact O-OD1 2.79Å |
| 972 | L | 87.9 | Confident | 83 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 172.2 | -61.4 | -172.7 | 0 | 0 | 0 | 111.3 | N854 I855 L858 S921 L957 S968 D969 N975 L976 | N854-L972 WeakPolarHBondContact O-CD1 3.48Å; I855-L972 HydrophobicContact CB-CD2 4.41Å; I855-L972 HydrophobicContact CG2-CD2 3.57Å; L858-L972 HydrophobicContact CD1-CB 4.16Å; L858-L972 HydrophobicContact CD1-CD1 3.94Å; L858-L972 HydrophobicContact CG-CD1 3.9Å; S921-L972 WeakPolarHBondContact O-CD2 3.31Å; L957-L972 HydrophobicContact CD1-CB 3.5Å; L957-L972 HydrophobicContact CD1-CD1 4.45Å; L957-L972 HydrophobicContact CD2-CD1 4.26Å; S968-L972 WeakPolarHBondContact O-CG 3.5Å; S968-L972 PolarHBondContact O-N 2.91Å; D969-L972 PolarHBondContact O-N 3.1Å; L972-N975 WeakPolarHBondContact O-CB 3.41Å; L972-N975 PolarHBondContact O-N 2.9Å; L972-L976 PolarHBondContact O-N 3.21Å |
| 973 | L | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 178 | -175.9 | 71.6 | 0 | 0 | 0 | 109.7 | I954 L957 L958 D969 T971 N975 L976 G977 F1019 | I954-L973 HydrophobicContact CG2-CD1 4.3Å; L957-L973 HydrophobicContact CB-CB 4.15Å; L957-L973 HydrophobicContact CB-CD1 3.95Å; L957-L973 HydrophobicContact CB-CG 4.49Å; L957-L973 HydrophobicContact CD1-CB 3.82Å; L957-L973 HydrophobicContact CD1-CD1 4.44Å; L958-L973 HydrophobicContact CD2-CD1 3.91Å; L958-L973 HydrophobicContact CD2-CD2 3.69Å; L958-L973 HydrophobicContact CD2-CG 4.45Å; L958-L973 HydrophobicContact CG-CD1 4Å; D969-L973 WeakPolarHBondContact O-CB 3.4Å; D969-L973 PolarHBondContact O-N 3.46Å; T971-L973 VanDerWaalsContact C-N 3.33Å; T971-L973 PolarHBondContact O-N 2.87Å; L973-N975 VanDerWaalsContact C-N 3.28Å; L973-N975 PolarHBondContact O-N 3.42Å; L973-L976 PolarHBondContact O-N 2.8Å; L973-G977 PolarHBondContact O-N 3.13Å; L973-F1019 HydrophobicContact CD1-CD1 4.37Å; L973-F1019 HydrophobicContact CD1-CD2 3.74Å; L973-F1019 HydrophobicContact CD1-CE2 3.87Å; L973-F1019 HydrophobicContact CD1-CG 3.98Å; L973-F1019 HydrophobicContact CD1-CZ 4.27Å; L973-F1019 HydrophobicContact CD2-CB 3.72Å; L973-F1019 HydrophobicContact CD2-CD1 4.36Å; L973-F1019 HydrophobicContact CD2-CD2 4.39Å; L973-F1019 HydrophobicContact CD2-CG 3.91Å; L973-F1019 HydrophobicContact CG-CB 3.74Å; L973-F1019 HydrophobicContact CG-CD1 4.37Å; L973-F1019 HydrophobicContact CG-CD2 3.61Å; L973-F1019 HydrophobicContact CG-CE2 4.27Å; L973-F1019 HydrophobicContact CG-CG 3.64Å; L973-F1019 VanDerWaalsContact O-CD2 3.29Å; L973-F1019 WeakPolarHBondContact O-CD2 3.46Å |
| 974 | K | 91.2 | Very high | 85 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 20% | 0.2 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.4 | -36.7 | 174.3 | -176.3 | 149.2 | 115.4 | 162.3 | 0 | 113.3 | R970 T971 H978 P1018 K1022 E1063 | R970-K974 WeakPolarHBondContact O-CB 3.3Å; R970-K974 PolarHBondContact O-N 3.17Å; T971-K974 PolarHBondContact O-N 3.37Å; K974-H978 PolarHBondContact O-N 3.2Å; K974-P1018 HydrophobicContact CD-CB 3.54Å; K974-P1018 HydrophobicContact CG-CB 4.49Å; K974-K1022 HydrophobicContact CD-CD 4.14Å; K974-K1022 HydrophobicContact CD-CG 4.01Å; K974-K1022 HydrophobicContact CG-CB 4.16Å; K974-K1022 HydrophobicContact CG-CD 3.67Å; K974-K1022 HydrophobicContact CG-CG 3.72Å; K974-E1063 IonicContact NZ-OE1 2.97Å; K974-E1063 PolarHBondContact NZ-OE1 3.18Å; K974-E1063 IonicContact NZ-OE2 2.72Å; K974-E1063 PolarHBondContact NZ-OE2 3.38Å |
| 975 | N | 92.3 | Very high | 86.5 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -50.5 | 173.8 | -67.4 | -14.1 | 0 | 0 | 0 | 111.7 | S921 L924 H927 T971 L972 L973 G977 H978 W979 | S921-N975 WeakPolarHBondContact O-CB 3.38Å; S921-N975 PolarHBondContact O-ND2 3.29Å; L924-N975 HydrophobicContact CD1-CB 4.47Å; H927-N975 PolarHBondContact CE1-O 3.5Å; T971-N975 PolarHBondContact O-N 3.18Å; T971-N975 PolarHBondContact O-ND2 2.61Å; T971-N975 PolarHBondContact O-OD1 2.79Å; L972-N975 WeakPolarHBondContact O-CB 3.41Å; L972-N975 PolarHBondContact O-N 2.9Å; L973-N975 VanDerWaalsContact C-N 3.28Å; L973-N975 PolarHBondContact O-N 3.42Å; N975-G977 PolarHBondContact O-N 3.3Å; N975-H978 PolarHBondContact O-N 3.46Å; N975-W979 PolarHBondContact O-N 2.6Å |
| 976 | L | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.9 | -33 | 176.2 | -76.3 | 163.6 | 0 | 0 | 0 | 112.4 | L858 V916 I920 T950 N953 I954 L957 L972 L973 W979 L980 | L858-L976 HydrophobicContact CD1-CD1 3.7Å; L858-L976 HydrophobicContact CD2-CD1 3.86Å; L858-L976 HydrophobicContact CG-CD1 4.39Å; V916-L976 HydrophobicContact CG1-CD2 3.79Å; I920-L976 HydrophobicContact CG2-CD2 3.85Å; T950-L976 HydrophobicContact CG2-CD2 4.35Å; N953-L976 HydrophobicContact CB-CD1 3.9Å; N953-L976 HydrophobicContact CB-CD2 4.3Å; I954-L976 HydrophobicContact CD1-CB 4.24Å; I954-L976 HydrophobicContact CG1-CB 3.74Å; I954-L976 HydrophobicContact CG1-CD1 4.24Å; I954-L976 HydrophobicContact CG1-CG 4.47Å; L957-L976 HydrophobicContact CD1-CD1 3.96Å; L972-L976 PolarHBondContact O-N 3.21Å; L973-L976 PolarHBondContact O-N 2.8Å; L976-W979 PolarHBondContact O-N 2.75Å; L976-L980 WeakPolarHBondContact O-CB 3.31Å; L976-L980 PolarHBondContact O-N 2.99Å |
| 977 | G | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -54.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L973 N975 W979 L980 G981 I1023 | L973-G977 PolarHBondContact O-N 3.13Å; N975-G977 PolarHBondContact O-N 3.3Å; G977-W979 PolarHBondContact O-N 3.05Å; G977-L980 PolarHBondContact O-N 2.9Å; G977-G981 PolarHBondContact O-N 2.93Å; G977-I1023 VanDerWaalsContact CA-CG1 3.44Å; G977-I1023 WeakPolarHBondContact O-CG1 3.4Å |
| 978 | H | 93.4 | Very high | 88.9 | Confident | 25 Ų | 25 | 17.4 Ų | 17.4 | 12% | 0.116 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.6 | -34.1 | 175.5 | 177.2 | -117.1 | 0 | 0 | 0 | 113 | L924 H927 K974 N975 L982 K1022 | L924-H978 HydrophobicContact CD1-CB 3.6Å; L924-H978 VanDerWaalsContact CD1-ND1 3.3Å; L924-H978 WeakPolarHBondContact CD1-ND1 3.49Å; H927-H978 AromaticContact CG-ND1 3.68Å; H927-H978 AromaticContact ND1-ND1 3.28Å; H927-H978 PolarHBondContact ND1-ND1 2.91Å; K974-H978 PolarHBondContact O-N 3.2Å; N975-H978 PolarHBondContact O-N 3.46Å; H978-L982 WeakPolarHBondContact O-CG 3.42Å; H978-L982 PolarHBondContact O-N 3.41Å; H978-K1022 VanDerWaalsContact CA-O 3.26Å; H978-K1022 WeakPolarHBondContact CA-O 3.32Å; H978-K1022 HydrophobicContact CB-CB 4.27Å; H978-K1022 HydrophobicContact CB-CD 4.28Å |
| 979 | W | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.9 | -48.6 | 173.7 | 176.2 | -105.4 | 0 | 0 | 0 | 113.6 | I920 H927 F931 L934 V946 T950 N975 L976 G977 G981 L982 M983 | I920-W979 HydrophobicContact CB-CD2 4.42Å; I920-W979 HydrophobicContact CB-CG 4.29Å; I920-W979 HydrophobicContact CD1-CD2 3.63Å; I920-W979 HydrophobicContact CD1-CE3 4.19Å; I920-W979 HydrophobicContact CD1-CG 4.09Å; I920-W979 HydrophobicContact CD1-CH2 4.04Å; I920-W979 HydrophobicContact CD1-CZ2 3.44Å; I920-W979 VanDerWaalsContact CD1-CZ2 3.44Å; I920-W979 HydrophobicContact CD1-CZ3 4.37Å; I920-W979 HydrophobicContact CG1-CD2 3.65Å; I920-W979 HydrophobicContact CG1-CE3 3.9Å; I920-W979 HydrophobicContact CG1-CG 4.03Å; I920-W979 HydrophobicContact CG1-CH2 4.42Å; I920-W979 HydrophobicContact CG1-CZ2 4.19Å; I920-W979 HydrophobicContact CG1-CZ3 4.28Å; I920-W979 HydrophobicContact CG2-CB 3.4Å; I920-W979 VanDerWaalsContact CG2-CB 3.4Å; I920-W979 HydrophobicContact CG2-CD2 3.89Å; I920-W979 HydrophobicContact CG2-CG 3.3Å; H927-W979 HydrophobicContact CB-CE3 3.95Å; H927-W979 HydrophobicContact CB-CZ3 4.5Å; H927-W979 PolarHBondContact ND1-N 3.37Å; H927-W979 WeakPolarHBondContact O-CZ3 3.29Å; F931-W979 HydrophobicContact CB-CH2 4.28Å; F931-W979 HydrophobicContact CB-CZ3 3.96Å; L934-W979 HydrophobicContact CD1-CH2 3.82Å; L934-W979 HydrophobicContact CD1-CZ2 3.62Å; V946-W979 HydrophobicContact CG1-CZ2 3.98Å; T950-W979 PolarHBondContact OG1-NE1 2.93Å; N975-W979 PolarHBondContact O-N 2.6Å; L976-W979 PolarHBondContact O-N 2.75Å; G977-W979 PolarHBondContact O-N 3.05Å; W979-G981 VanDerWaalsContact C-N 3.29Å; W979-G981 PolarHBondContact O-N 2.75Å; W979-L982 PolarHBondContact O-N 3.39Å; W979-M983 HydrophobicContact CD2-CG 4.15Å; W979-M983 HydrophobicContact CH2-CG 4.19Å; W979-M983 HydrophobicContact CH2-SD 4.32Å; W979-M983 HydrophobicContact CZ2-CE 4.49Å; W979-M983 HydrophobicContact CZ2-CG 3.57Å; W979-M983 HydrophobicContact CZ2-SD 3.28Å; W979-M983 WeakPolarHBondContact CZ2-SD 3.19Å; W979-M983 PolarHBondContact NE1-SD 3Å; W979-M983 PolarHBondContact O-N 2.97Å |
| 980 | L | 93.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 178.8 | -178.3 | 66.4 | 0 | 0 | 0 | 110 | T950 Y951 I954 L976 G977 L982 M983 T984 I991 L996 I1023 | T950-L980 HydrophobicContact CG2-CB 4.11Å; T950-L980 HydrophobicContact CG2-CD1 4.11Å; Y951-L980 HydrophobicContact CD1-CD1 4.46Å; Y951-L980 HydrophobicContact CD1-CD2 4.33Å; Y951-L980 HydrophobicContact CE1-CD1 3.85Å; Y951-L980 HydrophobicContact CE1-CD2 3.78Å; Y951-L980 HydrophobicContact CE1-CG 4.48Å; Y951-L980 HydrophobicContact CE2-CD1 4.45Å; I954-L980 HydrophobicContact CD1-CB 4.12Å; I954-L980 HydrophobicContact CD1-CD2 3.75Å; I954-L980 HydrophobicContact CD1-CG 4.44Å; L976-L980 WeakPolarHBondContact O-CB 3.31Å; L976-L980 PolarHBondContact O-N 2.99Å; G977-L980 PolarHBondContact O-N 2.9Å; L980-L982 PolarHBondContact O-N 3.01Å; L980-M983 PolarHBondContact O-N 3.38Å; L980-T984 HydrophobicContact CD1-CG2 3.77Å; L980-T984 HydrophobicContact CG-CG2 4.39Å; L980-T984 WeakPolarHBondContact O-CB 3.4Å; L980-T984 PolarHBondContact O-N 3.4Å; L980-T984 PolarHBondContact O-OG1 2.96Å; L980-I991 HydrophobicContact CD2-CD1 4.01Å; L980-I991 HydrophobicContact CD2-CG1 4.44Å; L980-I991 HydrophobicContact CG-CD1 4.27Å; L980-I991 HydrophobicContact CG-CG1 4.48Å; L980-L996 HydrophobicContact CD2-CD2 3.55Å; L980-I1023 HydrophobicContact CD2-CD1 4.04Å |
| 981 | G | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.3 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G977 W979 T984 I985 G986 A1026 | G977-G981 PolarHBondContact O-N 2.93Å; W979-G981 VanDerWaalsContact C-N 3.29Å; W979-G981 PolarHBondContact O-N 2.75Å; G981-T984 PolarHBondContact O-N 3.3Å; G981-I985 PolarHBondContact O-N 3.04Å; G981-I985 VanDerWaalsContact O-N 3.14Å; G981-G986 PolarHBondContact O-N 3.12Å; G981-A1026 WeakPolarHBondContact O-CB 3.47Å |
| 982 | L | 90.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.9 | -75.5 | 168.4 | 0 | 0 | 0 | 112.9 | H927 H978 W979 L980 T984 S987 | H927-L982 HydrophobicContact CB-CD1 3.65Å; H978-L982 WeakPolarHBondContact O-CG 3.42Å; H978-L982 PolarHBondContact O-N 3.41Å; W979-L982 PolarHBondContact O-N 3.39Å; L980-L982 PolarHBondContact O-N 3.01Å; L982-T984 VanDerWaalsContact C-N 3.3Å; L982-T984 PolarHBondContact O-N 3.19Å; L982-S987 PolarHBondContact O-N 3.03Å; L982-S987 PolarHBondContact O-OG 3.33Å |
| 983 | M | 89.2 | Confident | 89 | Confident | 19 Ų | 19 | 27.8 Ų | 27.8 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.2 | -20.9 | 179.2 | -77.8 | -153.3 | 79.8 | 0 | 0 | 114.8 | F931 L934 V946 V947 W979 L980 S987 | F931-M983 HydrophobicContact CD2-CG 4.27Å; L934-M983 HydrophobicContact CD1-CE 3.85Å; L934-M983 HydrophobicContact CD1-SD 4.17Å; V946-M983 HydrophobicContact CG1-CE 4.31Å; V946-M983 HydrophobicContact CG1-SD 3.7Å; V947-M983 HydrophobicContact CG2-CE 3.66Å; V947-M983 HydrophobicContact CG2-SD 4Å; W979-M983 HydrophobicContact CD2-CG 4.15Å; W979-M983 HydrophobicContact CH2-CG 4.19Å; W979-M983 HydrophobicContact CH2-SD 4.32Å; W979-M983 HydrophobicContact CZ2-CE 4.49Å; W979-M983 HydrophobicContact CZ2-CG 3.57Å; W979-M983 HydrophobicContact CZ2-SD 3.28Å; W979-M983 WeakPolarHBondContact CZ2-SD 3.19Å; W979-M983 PolarHBondContact NE1-SD 3Å; W979-M983 PolarHBondContact O-N 2.97Å; L980-M983 PolarHBondContact O-N 3.38Å; M983-S987 PolarHBondContact O-OG 3.27Å |
| 984 | T | 89.1 | Confident | 88.5 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -90.6 | -175.6 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | L980 G981 L982 G986 S987 N988 V989 I991 | L980-T984 HydrophobicContact CD1-CG2 3.77Å; L980-T984 HydrophobicContact CG-CG2 4.39Å; L980-T984 WeakPolarHBondContact O-CB 3.4Å; L980-T984 PolarHBondContact O-N 3.4Å; L980-T984 PolarHBondContact O-OG1 2.96Å; G981-T984 PolarHBondContact O-N 3.3Å; L982-T984 VanDerWaalsContact C-N 3.3Å; L982-T984 PolarHBondContact O-N 3.19Å; T984-G986 PolarHBondContact O-N 3.36Å; T984-S987 CarbonylContact O-C 3.11Å; T984-S987 WeakPolarHBondContact O-CA 3.04Å; T984-S987 WeakPolarHBondContact O-CB 3.5Å; T984-S987 PolarHBondContact O-N 3.28Å; T984-N988 PolarHBondContact O-N 3.28Å; T984-V989 CarbonylContact C-O 3.44Å; T984-V989 WeakPolarHBondContact CA-O 3.23Å; T984-V989 VanDerWaalsContact CB-O 3.23Å; T984-V989 WeakPolarHBondContact CB-O 3.47Å; T984-V989 PolarHBondContact O-N 3.5Å; T984-I991 HydrophobicContact CG2-CG1 4.17Å; T984-I991 VanDerWaalsContact OG1-CG1 3.27Å; T984-I991 WeakPolarHBondContact OG1-CG1 3.39Å |
| 985 | I | 87.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -45.8 | -56.9 | -178.9 | -63.8 | 175.8 | 0 | 0 | 0 | 111.5 | G981 S987 N988 V989 I991 I1023 M1024 A1026 C1027 S1030 F1033 W1039 | G981-I985 PolarHBondContact O-N 3.04Å; G981-I985 VanDerWaalsContact O-N 3.14Å; I985-S987 PolarHBondContact O-N 2.88Å; I985-S987 VanDerWaalsContact O-N 3.12Å; I985-N988 PolarHBondContact O-N 3.5Å; I985-V989 PolarHBondContact N-O 3.41Å; I985-I991 HydrophobicContact CD1-CD1 4.12Å; I985-I991 HydrophobicContact CG1-CD1 4.31Å; I985-I991 HydrophobicContact CG1-CG1 4.46Å; I985-I1023 HydrophobicContact CD1-CG2 3.39Å; I985-M1024 HydrophobicContact CD1-SD 4.39Å; I985-A1026 HydrophobicContact CB-CB 4.09Å; I985-A1026 HydrophobicContact CG2-CB 4.03Å; I985-C1027 HydrophobicContact CG2-CB 4.25Å; I985-C1027 VanDerWaalsContact CG2-SG 3.53Å; I985-S1030 WeakPolarHBondContact O-CB 3.27Å; I985-S1030 PolarHBondContact O-OG 3.27Å; I985-F1033 HydrophobicContact CG2-CB 3.77Å; I985-F1033 HydrophobicContact CG2-CG 4.48Å; I985-W1039 HydrophobicContact CD1-CH2 3.81Å; I985-W1039 HydrophobicContact CD1-CZ3 3.73Å; I985-W1039 HydrophobicContact CG1-CH2 4.19Å; I985-W1039 HydrophobicContact CG1-CZ3 4.04Å |
| 986 | G | 85.3 | Confident | 88 | Confident | 19 Ų | 19 | 29.2 Ų | 29.2 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -69.7 | -4.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G981 T984 | G981-G986 PolarHBondContact O-N 3.12Å; T984-G986 PolarHBondContact O-N 3.36Å |
| 987 | S | 84.3 | Confident | 87.8 | Confident | 36 Ų | 36 | 30 Ų | 30 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -108.5 | 6.2 | 172.8 | -61.8 | 0 | 0 | 0 | 0 | 113 | F931 L982 M983 T984 I985 V989 | F931-S987 WeakPolarHBondContact CE2-OG 3.33Å; F931-S987 WeakPolarHBondContact CZ-OG 3.43Å; L982-S987 PolarHBondContact O-N 3.03Å; L982-S987 PolarHBondContact O-OG 3.33Å; M983-S987 PolarHBondContact O-OG 3.27Å; T984-S987 CarbonylContact O-C 3.11Å; T984-S987 WeakPolarHBondContact O-CA 3.04Å; T984-S987 WeakPolarHBondContact O-CB 3.5Å; T984-S987 PolarHBondContact O-N 3.28Å; I985-S987 PolarHBondContact O-N 2.88Å; I985-S987 VanDerWaalsContact O-N 3.12Å; S987-V989 PolarHBondContact O-N 2.96Å |
| 988 | N | 88 | Confident | 87.7 | Confident | 66 Ų | 66 | 30.2 Ų | 30.2 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28.3 | -170.8 | -54.7 | -56.8 | 0 | 0 | 0 | 114.2 | T984 I985 S1030 L1031 V1032 | T984-N988 PolarHBondContact O-N 3.28Å; I985-N988 PolarHBondContact O-N 3.5Å; N988-S1030 PolarHBondContact OD1-OG 3.49Å; N988-L1031 PolarHBondContact OD1-N 2.62Å; N988-V1032 HydrophobicContact CB-CB 4.22Å; N988-V1032 HydrophobicContact CB-CG2 3.86Å; N988-V1032 PolarHBondContact OD1-N 3.26Å |
| 989 | V | 84 | Confident | 87.5 | Confident | 76 Ų | 76 | 31.9 Ų | 31.9 | 46% | 0.461 | 17% | 0.17 | S | C | . | . | trans | -110.2 | 128.8 | 174.5 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | T984 I985 S987 | T984-V989 CarbonylContact C-O 3.44Å; T984-V989 WeakPolarHBondContact CA-O 3.23Å; T984-V989 VanDerWaalsContact CB-O 3.23Å; T984-V989 WeakPolarHBondContact CB-O 3.47Å; T984-V989 PolarHBondContact O-N 3.5Å; I985-V989 PolarHBondContact N-O 3.41Å; S987-V989 PolarHBondContact O-N 2.96Å | ||
| 990 | P | 84.5 | Confident | 87.2 | Confident | 83 Ų | 83 | 32 Ų | 32 | 54% | 0.539 | 17% | 0.171 | S | C | . | . | trans | -64.7 | 149.9 | 179.1 | 25.1 | -33.3 | 0 | 0 | 0 | 112.2 | F1033 | P990-F1033 HydrophobicContact CB-CE1 4.32Å; P990-F1033 HydrophobicContact CB-CZ 3.72Å; P990-F1033 HydrophobicContact CG-CZ 4.45Å | ||
| 991 | I | 86.5 | Confident | 87.1 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | trans | -67.2 | 131.9 | 160.5 | -67.5 | -179.4 | 0 | 0 | 0 | 107.6 | Y951 L980 T984 I985 R993 L996 L998 I1023 W1039 | Y951-I991 HydrophobicContact CE1-CG2 4.11Å; L980-I991 HydrophobicContact CD2-CD1 4.01Å; L980-I991 HydrophobicContact CD2-CG1 4.44Å; L980-I991 HydrophobicContact CG-CD1 4.27Å; L980-I991 HydrophobicContact CG-CG1 4.48Å; T984-I991 HydrophobicContact CG2-CG1 4.17Å; T984-I991 VanDerWaalsContact OG1-CG1 3.27Å; T984-I991 WeakPolarHBondContact OG1-CG1 3.39Å; I985-I991 HydrophobicContact CD1-CD1 4.12Å; I985-I991 HydrophobicContact CG1-CD1 4.31Å; I985-I991 HydrophobicContact CG1-CG1 4.46Å; I991-R993 PolarHBondContact O-N 2.94Å; I991-R993 VanDerWaalsContact O-N 3.1Å; I991-L996 HydrophobicContact CG2-CB 3.91Å; I991-L996 HydrophobicContact CG2-CD2 4.43Å; I991-L996 WeakPolarHBondContact CG2-O 3.37Å; I991-L998 HydrophobicContact CD1-CD1 3.88Å; I991-I1023 HydrophobicContact CD1-CG2 3.61Å; I991-W1039 HydrophobicContact CB-CZ2 4.32Å; I991-W1039 HydrophobicContact CD1-CH2 4.12Å; I991-W1039 HydrophobicContact CG1-CH2 4.49Å | ||
| 992 | D | 82.9 | Confident | 87.1 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | trans | -70.9 | 110 | 174.5 | 165.3 | 47.1 | 0 | 0 | 0 | 108.7 | Y951 K994 S995 L996 R1542 | Y951-D992 PolarHBondContact OH-N 3Å; Y951-D992 VanDerWaalsContact OH-N 3.1Å; D992-K994 PolarHBondContact O-N 2.82Å; D992-K994 WeakPolarHBondContact OD1-CD 3.33Å; D992-K994 PolarHBondContact OD1-N 3.15Å; D992-S995 PolarHBondContact O-N 2.91Å; D992-S995 WeakPolarHBondContact OD2-CB 3.43Å; D992-S995 PolarHBondContact OD2-N 3.37Å; D992-S995 PolarHBondContact OD2-OG 2.83Å; D992-L996 PolarHBondContact O-N 2.73Å; D992-R1542 IonicContact OD2-NH2 2.71Å | ||
| 993 | R | 84.3 | Confident | 87 | Confident | 162 Ų | 162 | 31.8 Ų | 31.8 | 61% | 0.611 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -32.6 | 178.1 | -172.9 | 179.9 | -174.6 | -176.4 | 3.9 | 112.9 | I991 L996 D997 | I991-R993 PolarHBondContact O-N 2.94Å; I991-R993 VanDerWaalsContact O-N 3.1Å; R993-L996 CarbonylContact O-C 3.02Å; R993-D997 HydrophobicContact CG-CB 3.99Å; R993-D997 WeakPolarHBondContact CG-OD2 3.43Å; R993-D997 IonicContact CZ-OD2 3.02Å; R993-D997 VanDerWaalsContact CZ-OD2 3.29Å; R993-D997 IonicContact NE-OD2 2.86Å; R993-D997 PolarHBondContact NE-OD2 3.35Å; R993-D997 IonicContact NH2-OD2 3.67Å; R993-D997 PolarHBondContact NH2-OD2 2.71Å; R993-D997 WeakPolarHBondContact O-CB 3.26Å; R993-D997 PolarHBondContact O-N 3.36Å |
| 994 | K | 81.1 | Confident | 86.9 | Confident | 44 Ų | 44 | 30.9 Ų | 30.9 | 19% | 0.191 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -31.5 | -178.4 | -64 | 105.6 | 175.9 | -146.8 | 0 | 112.1 | D992 A1541 R1542 N1543 | D992-K994 PolarHBondContact O-N 2.82Å; D992-K994 WeakPolarHBondContact OD1-CD 3.33Å; D992-K994 PolarHBondContact OD1-N 3.15Å; K994-A1541 WeakPolarHBondContact CE-O 3.37Å; K994-A1541 PolarHBondContact NZ-O 2.86Å; K994-R1542 VanDerWaalsContact C-NH2 3.31Å; K994-R1542 HydrophobicContact CB-CB 4.06Å; K994-R1542 HydrophobicContact CB-CG 3.85Å; K994-R1542 HydrophobicContact CD-CB 4.47Å; K994-R1542 HydrophobicContact CG-CB 4.15Å; K994-R1542 HydrophobicContact CG-CG 4.04Å; K994-R1542 VanDerWaalsContact O-CZ 3.31Å; K994-R1542 PolarHBondContact O-NH1 2.84Å; K994-R1542 PolarHBondContact O-NH2 3.33Å; K994-N1543 PolarHBondContact NZ-OD1 3.46Å |
| 995 | S | 82.3 | Confident | 86.9 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -31 | 174.5 | -60 | 0 | 0 | 0 | 0 | 113.1 | D992 R1542 | D992-S995 PolarHBondContact O-N 2.91Å; D992-S995 WeakPolarHBondContact OD2-CB 3.43Å; D992-S995 PolarHBondContact OD2-N 3.37Å; D992-S995 PolarHBondContact OD2-OG 2.83Å; S995-R1542 PolarHBondContact OG-NH2 3.1Å |
| 996 | L | 90 | Very high | 86.9 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | -158 | 112.5 | 172.1 | -167.5 | 72.5 | 0 | 0 | 0 | 110.6 | Y951 I954 L958 L980 I991 D992 R993 L998 L1001 F1019 I1023 | Y951-L996 HydrophobicContact CD1-CB 4.04Å; Y951-L996 HydrophobicContact CE1-CB 3.76Å; I954-L996 HydrophobicContact CG2-CD1 3.96Å; L958-L996 HydrophobicContact CD1-CD1 3.87Å; L980-L996 HydrophobicContact CD2-CD2 3.55Å; I991-L996 HydrophobicContact CG2-CB 3.91Å; I991-L996 HydrophobicContact CG2-CD2 4.43Å; I991-L996 WeakPolarHBondContact CG2-O 3.37Å; D992-L996 PolarHBondContact O-N 2.73Å; R993-L996 CarbonylContact O-C 3.02Å; L996-L998 HydrophobicContact CD2-CD2 3.75Å; L996-L998 HydrophobicContact CD2-CG 4.18Å; L996-L998 HydrophobicContact CG-CD2 4.12Å; L996-L998 HydrophobicContact CG-CG 4.39Å; L996-L1001 HydrophobicContact CD1-CD2 4.06Å; L996-F1019 HydrophobicContact CD1-CE1 4.16Å; L996-F1019 HydrophobicContact CD1-CZ 4.31Å; L996-F1019 HydrophobicContact CD2-CE1 3.99Å; L996-F1019 HydrophobicContact CD2-CZ 3.69Å; L996-I1023 HydrophobicContact CD2-CD1 3.94Å | ||
| 997 | D | 89.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | trans | -100.3 | 100.4 | 168.6 | -174.3 | -30.6 | 0 | 0 | 0 | 108.3 | R993 K999 V1000 L1001 Q1098 | R993-D997 HydrophobicContact CG-CB 3.99Å; R993-D997 WeakPolarHBondContact CG-OD2 3.43Å; R993-D997 IonicContact CZ-OD2 3.02Å; R993-D997 VanDerWaalsContact CZ-OD2 3.29Å; R993-D997 IonicContact NE-OD2 2.86Å; R993-D997 PolarHBondContact NE-OD2 3.35Å; R993-D997 IonicContact NH2-OD2 3.67Å; R993-D997 PolarHBondContact NH2-OD2 2.71Å; R993-D997 WeakPolarHBondContact O-CB 3.26Å; R993-D997 PolarHBondContact O-N 3.36Å; D997-K999 VanDerWaalsContact C-N 3.33Å; D997-K999 PolarHBondContact O-N 2.97Å; D997-K999 PolarHBondContact OD1-N 2.88Å; D997-K999 VanDerWaalsContact OD1-N 3.12Å; D997-V1000 HydrophobicContact CB-CB 3.94Å; D997-V1000 HydrophobicContact CB-CG2 4.24Å; D997-V1000 VanDerWaalsContact CG-CG2 3.41Å; D997-V1000 PolarHBondContact O-N 3.39Å; D997-V1000 PolarHBondContact OD1-N 3.31Å; D997-V1000 VanDerWaalsContact OD2-CG2 3.27Å; D997-V1000 WeakPolarHBondContact OD2-CG2 3.47Å; D997-L1001 WeakPolarHBondContact O-CB 3.02Å; D997-L1001 PolarHBondContact O-N 3.18Å; D997-Q1098 PolarHBondContact O-NE2 2.93Å | ||
| 998 | L | 90.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | -176.1 | -73.8 | 174 | 0 | 0 | 0 | 113.9 | I991 L996 L1001 L1002 F1019 A1020 I1023 W1039 I1043 | I991-L998 HydrophobicContact CD1-CD1 3.88Å; L996-L998 HydrophobicContact CD2-CD2 3.75Å; L996-L998 HydrophobicContact CD2-CG 4.18Å; L996-L998 HydrophobicContact CG-CD2 4.12Å; L996-L998 HydrophobicContact CG-CG 4.39Å; L998-L1001 HydrophobicContact CD2-CD2 4.34Å; L998-L1001 PolarHBondContact O-N 3.04Å; L998-L1002 WeakPolarHBondContact O-CB 3.26Å; L998-L1002 PolarHBondContact O-N 2.96Å; L998-F1019 HydrophobicContact CD2-CE1 4.16Å; L998-A1020 HydrophobicContact CD2-CB 4.35Å; L998-I1023 HydrophobicContact CD1-CB 4.44Å; L998-I1023 HydrophobicContact CD1-CD1 4.22Å; L998-I1023 HydrophobicContact CD1-CG2 3.85Å; L998-I1023 HydrophobicContact CD2-CD1 3.77Å; L998-W1039 HydrophobicContact CD1-CH2 4.08Å; L998-W1039 HydrophobicContact CD1-CZ2 4.31Å; L998-I1043 HydrophobicContact CB-CD1 3.91Å; L998-I1043 HydrophobicContact CB-CG1 4.44Å; L998-I1043 HydrophobicContact CD1-CD1 4.12Å |
| 999 | K | 88.3 | Confident | 86.2 | Confident | 60 Ų | 60 | 27.8 Ų | 27.8 | 26% | 0.261 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67.9 | -52.3 | 177.6 | 170.4 | 159.7 | 172.5 | 164.6 | 0 | 109 | D997 L1001 L1002 V1003 L1046 D1083 V1089 | D997-K999 VanDerWaalsContact C-N 3.33Å; D997-K999 PolarHBondContact O-N 2.97Å; D997-K999 PolarHBondContact OD1-N 2.88Å; D997-K999 VanDerWaalsContact OD1-N 3.12Å; K999-L1001 VanDerWaalsContact C-N 3.28Å; K999-L1001 PolarHBondContact O-N 2.99Å; K999-L1002 PolarHBondContact O-N 3.32Å; K999-V1003 WeakPolarHBondContact O-CG2 3.49Å; K999-V1003 PolarHBondContact O-N 3.33Å; K999-V1003 VanDerWaalsContact O-N 3.13Å; K999-L1046 HydrophobicContact CB-CD2 4.26Å; K999-L1046 HydrophobicContact CG-CD2 4.12Å; K999-L1046 WeakPolarHBondContact O-CD2 3.12Å; K999-D1083 VanDerWaalsContact CE-OD1 3.3Å; K999-D1083 WeakPolarHBondContact CE-OD1 2.98Å; K999-D1083 VanDerWaalsContact CE-OD2 3.29Å; K999-D1083 WeakPolarHBondContact CE-OD2 2.94Å; K999-D1083 IonicContact NZ-OD1 3.53Å; K999-D1083 PolarHBondContact NZ-OD1 2.68Å; K999-D1083 IonicContact NZ-OD2 2.69Å; K999-D1083 PolarHBondContact NZ-OD2 3.03Å; K999-V1089 HydrophobicContact CG-CG1 4.05Å |
| 1000 | V | 88 | Confident | 86 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -33.7 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | D997 E1004 V1089 A1092 C1093 | D997-V1000 HydrophobicContact CB-CB 3.94Å; D997-V1000 HydrophobicContact CB-CG2 4.24Å; D997-V1000 VanDerWaalsContact CG-CG2 3.41Å; D997-V1000 PolarHBondContact O-N 3.39Å; D997-V1000 PolarHBondContact OD1-N 3.31Å; D997-V1000 VanDerWaalsContact OD2-CG2 3.27Å; D997-V1000 WeakPolarHBondContact OD2-CG2 3.47Å; V1000-E1004 VanDerWaalsContact O-CB 3.29Å; V1000-E1004 WeakPolarHBondContact O-CB 3.33Å; V1000-E1004 PolarHBondContact O-N 2.82Å; V1000-V1089 HydrophobicContact CG2-CG1 4.44Å; V1000-A1092 HydrophobicContact CG1-CB 4.49Å; V1000-A1092 HydrophobicContact CG2-CB 3.76Å; V1000-C1093 VanDerWaalsContact CG1-CA 3.5Å; V1000-C1093 HydrophobicContact CG1-CB 4.1Å; V1000-C1093 PolarHBondContact O-SG 3.26Å |
| 1001 | L | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.6 | -43.8 | 178.8 | -175.7 | 71.5 | 0 | 0 | 0 | 112.7 | L958 L996 D997 L998 K999 V1003 E1004 A1005 V1016 F1019 Q1098 L1099 | L958-L1001 HydrophobicContact CD1-CD1 3.9Å; L958-L1001 HydrophobicContact CD1-CD2 3.91Å; L958-L1001 HydrophobicContact CD2-CD1 4.22Å; L958-L1001 HydrophobicContact CD2-CD2 4.12Å; L996-L1001 HydrophobicContact CD1-CD2 4.06Å; D997-L1001 WeakPolarHBondContact O-CB 3.02Å; D997-L1001 PolarHBondContact O-N 3.18Å; L998-L1001 HydrophobicContact CD2-CD2 4.34Å; L998-L1001 PolarHBondContact O-N 3.04Å; K999-L1001 VanDerWaalsContact C-N 3.28Å; K999-L1001 PolarHBondContact O-N 2.99Å; L1001-V1003 VanDerWaalsContact C-N 3.33Å; L1001-E1004 PolarHBondContact O-N 3.13Å; L1001-A1005 WeakPolarHBondContact O-CB 3.29Å; L1001-A1005 PolarHBondContact O-N 3.2Å; L1001-V1016 HydrophobicContact CD1-CG2 4.37Å; L1001-V1016 HydrophobicContact CD2-CG1 3.93Å; L1001-V1016 HydrophobicContact CD2-CG2 4.36Å; L1001-V1016 HydrophobicContact CG-CG1 3.75Å; L1001-V1016 HydrophobicContact CG-CG2 4.13Å; L1001-F1019 HydrophobicContact CD2-CD1 3.85Å; L1001-F1019 HydrophobicContact CD2-CE1 3.58Å; L1001-Q1098 HydrophobicContact CD1-CB 3.53Å; L1001-Q1098 HydrophobicContact CD1-CG 4.48Å; L1001-L1099 HydrophobicContact CD1-CD1 4.36Å; L1001-L1099 HydrophobicContact CD1-CD2 3.82Å; L1001-L1099 HydrophobicContact CD1-CG 3.81Å |
| 1002 | L | 91.4 | Very high | 85.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 176.9 | -85.1 | 162.8 | 0 | 0 | 0 | 110.9 | L998 K999 A1005 F1006 V1016 V1017 A1020 I1043 L1046 L1047 | L998-L1002 WeakPolarHBondContact O-CB 3.26Å; L998-L1002 PolarHBondContact O-N 2.96Å; K999-L1002 PolarHBondContact O-N 3.32Å; L1002-A1005 PolarHBondContact O-N 3.1Å; L1002-F1006 VanDerWaalsContact O-CB 3.28Å; L1002-F1006 WeakPolarHBondContact O-CB 3.17Å; L1002-F1006 PolarHBondContact O-N 3.39Å; L1002-V1016 HydrophobicContact CD2-CG1 3.86Å; L1002-V1016 HydrophobicContact CG-CG1 4.09Å; L1002-V1017 HydrophobicContact CD2-CG2 4.07Å; L1002-A1020 HydrophobicContact CD1-CB 3.9Å; L1002-A1020 HydrophobicContact CD2-CB 4.1Å; L1002-A1020 HydrophobicContact CG-CB 4.08Å; L1002-I1043 HydrophobicContact CD1-CG2 4.19Å; L1002-L1046 HydrophobicContact CB-CD2 3.48Å; L1002-L1046 VanDerWaalsContact CB-CD2 3.48Å; L1002-L1046 HydrophobicContact CB-CG 4.22Å; L1002-L1046 HydrophobicContact CD1-CD2 3.8Å; L1002-L1046 HydrophobicContact CD1-CG 4.46Å; L1002-L1046 HydrophobicContact CG-CD2 4.29Å; L1002-L1047 HydrophobicContact CD1-CD1 4.48Å; L1002-L1047 HydrophobicContact CD1-CD2 3.75Å; L1002-L1047 HydrophobicContact CD1-CG 3.87Å; L1002-L1047 HydrophobicContact CD2-CD2 3.69Å; L1002-L1047 HydrophobicContact CG-CD2 4.41Å |
| 1003 | V | 88.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | K999 L1001 A1005 F1006 V1007 L1046 D1083 V1089 M1090 | K999-V1003 WeakPolarHBondContact O-CG2 3.49Å; K999-V1003 PolarHBondContact O-N 3.33Å; K999-V1003 VanDerWaalsContact O-N 3.13Å; L1001-V1003 VanDerWaalsContact C-N 3.33Å; V1003-A1005 VanDerWaalsContact C-N 3.32Å; V1003-A1005 PolarHBondContact O-N 2.95Å; V1003-F1006 WeakPolarHBondContact O-CB 3.32Å; V1003-F1006 PolarHBondContact O-N 3.34Å; V1003-V1007 HydrophobicContact CG1-CG2 4.24Å; V1003-V1007 WeakPolarHBondContact O-CB 3.32Å; V1003-V1007 WeakPolarHBondContact O-CG2 3.32Å; V1003-V1007 PolarHBondContact O-N 3.49Å; V1003-L1046 HydrophobicContact CG2-CD1 3.78Å; V1003-L1046 HydrophobicContact CG2-CD2 4.32Å; V1003-D1083 VanDerWaalsContact CG2-O 3.25Å; V1003-D1083 WeakPolarHBondContact CG2-O 3.48Å; V1003-V1089 HydrophobicContact CB-CG1 4.31Å; V1003-V1089 HydrophobicContact CG1-CG1 4.46Å; V1003-V1089 HydrophobicContact CG2-CG1 3.77Å; V1003-M1090 HydrophobicContact CG1-CB 4.24Å; V1003-M1090 HydrophobicContact CG1-CG 3.62Å; V1003-M1090 HydrophobicContact CG1-SD 4.49Å |
| 1004 | E | 87.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 177.7 | -164.1 | -171.8 | 164.7 | 0 | 0 | 112.3 | V1000 L1001 V1007 R1008 C1093 Q1098 L1099 F1104 | V1000-E1004 VanDerWaalsContact O-CB 3.29Å; V1000-E1004 WeakPolarHBondContact O-CB 3.33Å; V1000-E1004 PolarHBondContact O-N 2.82Å; L1001-E1004 PolarHBondContact O-N 3.13Å; E1004-V1007 WeakPolarHBondContact O-CB 3.17Å; E1004-R1008 WeakPolarHBondContact O-CB 3.17Å; E1004-R1008 VanDerWaalsContact O-CG 3.25Å; E1004-R1008 WeakPolarHBondContact O-CG 3.48Å; E1004-R1008 PolarHBondContact O-N 2.74Å; E1004-R1008 IonicContact OE1-CZ 2.76Å; E1004-R1008 VanDerWaalsContact OE1-CZ 3.27Å; E1004-R1008 IonicContact OE1-NE 3.12Å; E1004-R1008 PolarHBondContact OE1-NE 3.11Å; E1004-R1008 VanDerWaalsContact OE1-NE 3.08Å; E1004-R1008 IonicContact OE1-NH2 3.05Å; E1004-R1008 PolarHBondContact OE1-NH2 3.09Å; E1004-C1093 HydrophobicContact CB-CB 4.02Å; E1004-C1093 HydrophobicContact CG-CB 4.09Å; E1004-Q1098 PolarHBondContact OE1-N 3.32Å; E1004-Q1098 WeakPolarHBondContact OE2-CB 3.44Å; E1004-Q1098 PolarHBondContact OE2-N 3.48Å; E1004-L1099 HydrophobicContact CB-CD1 4.02Å; E1004-L1099 HydrophobicContact CG-CD1 3.94Å; E1004-L1099 HydrophobicContact CG-CG 4.44Å; E1004-L1099 WeakPolarHBondContact OE1-CB 3.3Å; E1004-L1099 PolarHBondContact OE1-N 3.16Å; E1004-L1099 VanDerWaalsContact OE1-N 3.14Å; E1004-L1099 PolarHBondContact OE2-N 3.01Å; E1004-F1104 HydrophobicContact CG-CD2 4.26Å; E1004-F1104 HydrophobicContact CG-CE2 3.62Å; E1004-F1104 HydrophobicContact CG-CZ 3.94Å |
| 1005 | A | 88.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.1 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1001 L1002 V1003 R1008 G1009 E1012 L1013 V1016 L1099 | L1001-A1005 WeakPolarHBondContact O-CB 3.29Å; L1001-A1005 PolarHBondContact O-N 3.2Å; L1002-A1005 PolarHBondContact O-N 3.1Å; V1003-A1005 VanDerWaalsContact C-N 3.32Å; V1003-A1005 PolarHBondContact O-N 2.95Å; A1005-R1008 PolarHBondContact O-N 2.68Å; A1005-G1009 PolarHBondContact O-N 3.28Å; A1005-E1012 HydrophobicContact CB-CB 4.04Å; A1005-L1013 HydrophobicContact CB-CD2 3.75Å; A1005-L1013 HydrophobicContact CB-CG 4.31Å; A1005-V1016 HydrophobicContact CB-CB 3.6Å; A1005-V1016 HydrophobicContact CB-CG1 3.85Å; A1005-V1016 HydrophobicContact CB-CG2 3.7Å; A1005-L1099 HydrophobicContact CB-CD1 3.9Å |
| 1006 | F | 87.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.6 | 178 | -109.1 | 0 | 0 | 0 | 111.9 | L1002 V1003 L1013 L1050 E1053 L1084 H1085 K1111 | L1002-F1006 VanDerWaalsContact O-CB 3.28Å; L1002-F1006 WeakPolarHBondContact O-CB 3.17Å; L1002-F1006 PolarHBondContact O-N 3.39Å; V1003-F1006 WeakPolarHBondContact O-CB 3.32Å; V1003-F1006 PolarHBondContact O-N 3.34Å; F1006-L1013 HydrophobicContact CB-CD2 4.13Å; F1006-L1013 HydrophobicContact CD2-CD1 4.32Å; F1006-L1050 HydrophobicContact CB-CD1 4.13Å; F1006-L1050 HydrophobicContact CD2-CD1 3.7Å; F1006-L1050 HydrophobicContact CE2-CD1 4.49Å; F1006-L1050 HydrophobicContact CG-CD1 4.26Å; F1006-E1053 HydrophobicContact CE2-CB 4.29Å; F1006-E1053 HydrophobicContact CE2-CG 3.59Å; F1006-E1053 WeakPolarHBondContact CE2-OE2 3.44Å; F1006-E1053 VanDerWaalsContact CZ-CD 3.43Å; F1006-E1053 HydrophobicContact CZ-CG 3.79Å; F1006-E1053 WeakPolarHBondContact CZ-OE2 3.25Å; F1006-L1084 HydrophobicContact CB-CD2 3.88Å; F1006-L1084 HydrophobicContact CD1-CB 3.9Å; F1006-L1084 HydrophobicContact CD1-CD2 3.89Å; F1006-L1084 HydrophobicContact CD1-CG 4.34Å; F1006-L1084 HydrophobicContact CD2-CD1 4.12Å; F1006-L1084 HydrophobicContact CD2-CD2 4.1Å; F1006-L1084 HydrophobicContact CE1-CB 3.65Å; F1006-L1084 HydrophobicContact CE1-CD1 4.27Å; F1006-L1084 HydrophobicContact CE1-CD2 4.39Å; F1006-L1084 HydrophobicContact CE1-CG 4.35Å; F1006-L1084 HydrophobicContact CE2-CD1 3.84Å; F1006-L1084 HydrophobicContact CG-CD1 4.44Å; F1006-L1084 HydrophobicContact CG-CD2 3.73Å; F1006-L1084 HydrophobicContact CG-CG 4.48Å; F1006-L1084 HydrophobicContact CZ-CB 4.06Å; F1006-L1084 HydrophobicContact CZ-CD1 3.91Å; F1006-L1084 HydrophobicContact CZ-CG 4.48Å; F1006-H1085 AromaticContact CE1-CE1 3.84Å; F1006-H1085 AromaticContact CE1-ND1 3.91Å; F1006-H1085 AromaticContact CZ-CE1 3.62Å; F1006-K1111 HydrophobicContact CD1-CD 3.35Å; F1006-K1111 HydrophobicContact CE1-CD 3.33Å; F1006-K1111 HydrophobicContact CG-CD 3.99Å; F1006-K1111 HydrophobicContact CZ-CD 3.97Å; F1006-K1111 VanDerWaalsContact O-CD 3.24Å; F1006-K1111 WeakPolarHBondContact O-CD 3.42Å; F1006-K1111 WeakPolarHBondContact O-CE 3.27Å; F1006-K1111 PolarHBondContact O-NZ 3.27Å; F1006-K1111 VanDerWaalsContact O-NZ 3.14Å |
| 1007 | V | 82.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -52.7 | -58.3 | 172 | 154.8 | 0 | 0 | 0 | 0 | 111.1 | V1003 E1004 M1090 F1104 L1107 V1108 K1111 K1397 | V1003-V1007 HydrophobicContact CG1-CG2 4.24Å; V1003-V1007 WeakPolarHBondContact O-CB 3.32Å; V1003-V1007 WeakPolarHBondContact O-CG2 3.32Å; V1003-V1007 PolarHBondContact O-N 3.49Å; E1004-V1007 WeakPolarHBondContact O-CB 3.17Å; V1007-M1090 HydrophobicContact CG2-CE 4.33Å; V1007-M1090 HydrophobicContact CG2-CG 4.25Å; V1007-M1090 HydrophobicContact CG2-SD 3.4Å; V1007-M1090 WeakPolarHBondContact CG2-SD 3.37Å; V1007-F1104 HydrophobicContact CG1-CD2 3.84Å; V1007-F1104 HydrophobicContact CG1-CE2 4.25Å; V1007-L1107 HydrophobicContact CG1-CB 4.03Å; V1007-L1107 WeakPolarHBondContact CG1-O 3.47Å; V1007-V1108 HydrophobicContact CG1-CB 4.39Å; V1007-V1108 HydrophobicContact CG1-CG2 3.54Å; V1007-V1108 HydrophobicContact CG2-CG2 4.16Å; V1007-K1111 HydrophobicContact CG2-CB 4.19Å; V1007-K1397 PolarHBondContact O-NZ 2.88Å |
| 1008 | R | 81.9 | Confident | 87.3 | Confident | 43 Ų | 43 | 16.8 Ų | 16.8 | 16% | 0.162 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.4 | -37.2 | -175.1 | -71 | 169.5 | 179 | -114.6 | 11.1 | 112.7 | E1004 A1005 E1012 G1100 F1104 L1107 | E1004-R1008 WeakPolarHBondContact O-CB 3.17Å; E1004-R1008 VanDerWaalsContact O-CG 3.25Å; E1004-R1008 WeakPolarHBondContact O-CG 3.48Å; E1004-R1008 PolarHBondContact O-N 2.74Å; E1004-R1008 IonicContact OE1-CZ 2.76Å; E1004-R1008 VanDerWaalsContact OE1-CZ 3.27Å; E1004-R1008 IonicContact OE1-NE 3.12Å; E1004-R1008 PolarHBondContact OE1-NE 3.11Å; E1004-R1008 VanDerWaalsContact OE1-NE 3.08Å; E1004-R1008 IonicContact OE1-NH2 3.05Å; E1004-R1008 PolarHBondContact OE1-NH2 3.09Å; A1005-R1008 PolarHBondContact O-N 2.68Å; R1008-E1012 HydrophobicContact CB-CB 4.2Å; R1008-E1012 HydrophobicContact CB-CG 3.61Å; R1008-E1012 HydrophobicContact CG-CG 4.42Å; R1008-G1100 PolarHBondContact NH1-O 3.09Å; R1008-G1100 PolarHBondContact NH2-O 3.29Å; R1008-F1104 HydrophobicContact CG-CB 4.1Å; R1008-F1104 HydrophobicContact CG-CD2 4.01Å; R1008-F1104 HydrophobicContact CG-CG 4.21Å; R1008-L1107 HydrophobicContact CB-CD1 4.42Å; R1008-L1107 HydrophobicContact CG-CD1 4.36Å |
| 1009 | G | 78.4 | Confident | 87.5 | Confident | 17 Ų | 17 | 16.7 Ų | 16.7 | 18% | 0.175 | 8% | 0.08 | C | C | . | . | trans | 122.4 | -167 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1005 Q1011 E1012 L1013 | A1005-G1009 PolarHBondContact O-N 3.28Å; G1009-Q1011 VanDerWaalsContact C-N 3.29Å; G1009-Q1011 PolarHBondContact O-N 3.14Å; G1009-Q1011 VanDerWaalsContact O-N 3.12Å; G1009-E1012 PolarHBondContact O-N 3.23Å; G1009-L1013 PolarHBondContact O-N 2.69Å | ||
| 1010 | H | 79.4 | Confident | 87.7 | Confident | 76 Ų | 76 | 13.8 Ų | 13.8 | 35% | 0.352 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -63 | -23.7 | -163.9 | -62.5 | 110.9 | 0 | 0 | 0 | 116.4 | L1014 D1055 | H1010-L1014 WeakPolarHBondContact O-CD1 3.46Å; H1010-L1014 VanDerWaalsContact O-CG 3.24Å; H1010-L1014 WeakPolarHBondContact O-CG 3.43Å; H1010-L1014 PolarHBondContact O-N 3Å; H1010-D1055 WeakPolarHBondContact NE2-CB 3.35Å; H1010-D1055 IonicContact NE2-OD2 2.73Å; H1010-D1055 PolarHBondContact NE2-OD2 2.83Å |
| 1011 | Q | 80.9 | Confident | 88 | Confident | 86 Ų | 86 | 13.7 Ų | 13.7 | 40% | 0.402 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -71.6 | -42.4 | 172.9 | -84.2 | 175 | -62.9 | 0 | 0 | 111.4 | K962 S963 G1009 L1014 Y1015 | K962-Q1011 VanDerWaalsContact O-CD 3.28Å; K962-Q1011 PolarHBondContact O-NE2 3.48Å; S963-Q1011 PolarHBondContact O-NE2 3.22Å; G1009-Q1011 VanDerWaalsContact C-N 3.29Å; G1009-Q1011 PolarHBondContact O-N 3.14Å; G1009-Q1011 VanDerWaalsContact O-N 3.12Å; Q1011-L1014 WeakPolarHBondContact O-CB 3.3Å; Q1011-L1014 PolarHBondContact O-N 2.89Å; Q1011-Y1015 VanDerWaalsContact O-CD2 3.22Å; Q1011-Y1015 WeakPolarHBondContact O-CD2 3.35Å |
| 1012 | E | 87 | Confident | 88 | Confident | 24 Ų | 24 | 15.3 Ų | 15.3 | 11% | 0.112 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67 | -44.9 | 175.3 | -65.1 | -59.8 | 153.9 | 0 | 0 | 112 | K962 A1005 R1008 G1009 L1014 Y1015 V1016 L1099 | K962-E1012 VanDerWaalsContact CD-OE2 3.27Å; K962-E1012 WeakPolarHBondContact CD-OE2 3.41Å; K962-E1012 WeakPolarHBondContact CE-OE2 3.47Å; K962-E1012 IonicContact NZ-OE1 2.98Å; K962-E1012 PolarHBondContact NZ-OE1 3.29Å; K962-E1012 IonicContact NZ-OE2 3.49Å; K962-E1012 PolarHBondContact NZ-OE2 2.79Å; A1005-E1012 HydrophobicContact CB-CB 4.04Å; R1008-E1012 HydrophobicContact CB-CB 4.2Å; R1008-E1012 HydrophobicContact CB-CG 3.61Å; R1008-E1012 HydrophobicContact CG-CG 4.42Å; G1009-E1012 PolarHBondContact O-N 3.23Å; E1012-L1014 PolarHBondContact O-N 3.24Å; E1012-Y1015 PolarHBondContact O-N 3.37Å; E1012-V1016 PolarHBondContact O-N 3.33Å; E1012-L1099 HydrophobicContact CB-CD1 4.19Å; E1012-L1099 HydrophobicContact CG-CD1 4.34Å; E1012-L1099 WeakPolarHBondContact OE2-CD2 3.36Å |
| 1013 | L | 88.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.6 | -33.2 | 175.8 | -72.5 | 176.1 | 0 | 0 | 0 | 113.3 | A1005 F1006 G1009 Y1015 V1017 L1050 V1056 L1060 | A1005-L1013 HydrophobicContact CB-CD2 3.75Å; A1005-L1013 HydrophobicContact CB-CG 4.31Å; F1006-L1013 HydrophobicContact CB-CD2 4.13Å; F1006-L1013 HydrophobicContact CD2-CD1 4.32Å; G1009-L1013 PolarHBondContact O-N 2.69Å; L1013-Y1015 PolarHBondContact O-N 3.39Å; L1013-V1017 HydrophobicContact CB-CG2 4.18Å; L1013-V1017 HydrophobicContact CD2-CG2 3.71Å; L1013-V1017 WeakPolarHBondContact O-CB 3.34Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.25Å; L1013-V1017 PolarHBondContact O-N 3.49Å; L1013-L1050 HydrophobicContact CD1-CD1 4.36Å; L1013-L1050 HydrophobicContact CD2-CD1 3.6Å; L1013-L1050 HydrophobicContact CD2-CD2 4.39Å; L1013-V1056 HydrophobicContact CD1-CG2 4.41Å; L1013-L1060 HydrophobicContact CB-CD1 3.73Å |
| 1014 | L | 86.6 | Confident | 88.3 | Confident | 28 Ų | 28 | 15.2 Ų | 15.2 | 15% | 0.147 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.1 | -27.3 | 175.4 | -82.3 | 161.1 | 0 | 0 | 0 | 112.7 | R970 H1010 Q1011 E1012 P1018 L1060 | R970-L1014 WeakPolarHBondContact CD-O 3.41Å; R970-L1014 PolarHBondContact NE-O 2.98Å; R970-L1014 PolarHBondContact NH2-O 3.26Å; H1010-L1014 WeakPolarHBondContact O-CD1 3.46Å; H1010-L1014 VanDerWaalsContact O-CG 3.24Å; H1010-L1014 WeakPolarHBondContact O-CG 3.43Å; H1010-L1014 PolarHBondContact O-N 3Å; Q1011-L1014 WeakPolarHBondContact O-CB 3.3Å; Q1011-L1014 PolarHBondContact O-N 2.89Å; E1012-L1014 PolarHBondContact O-N 3.24Å; L1014-P1018 VanDerWaalsContact O-CD 3.28Å; L1014-P1018 WeakPolarHBondContact O-CD 3.29Å; L1014-P1018 WeakPolarHBondContact O-CG 3.22Å; L1014-L1060 HydrophobicContact CD2-CD2 4.02Å; L1014-L1060 HydrophobicContact CG-CD2 4.42Å |
| 1015 | Y | 89.6 | Confident | 88.4 | Confident | 9 Ų | 9 | 16.3 Ų | 16.3 | 4% | 0.035 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -97 | -46.4 | 179.9 | -69.4 | -118.5 | 0 | 0 | 0 | 110.5 | K962 N966 D969 R970 Q1011 E1012 L1013 F1019 | K962-Y1015 HydrophobicContact CB-CE2 4.22Å; K962-Y1015 HydrophobicContact CD-CD1 4Å; K962-Y1015 HydrophobicContact CD-CD2 3.75Å; K962-Y1015 HydrophobicContact CD-CE1 4.25Å; K962-Y1015 HydrophobicContact CD-CE2 4.03Å; K962-Y1015 HydrophobicContact CD-CG 3.75Å; K962-Y1015 HydrophobicContact CG-CD1 4.42Å; K962-Y1015 HydrophobicContact CG-CD2 4.29Å; K962-Y1015 HydrophobicContact CG-CE1 4.17Å; K962-Y1015 HydrophobicContact CG-CE2 4.05Å; K962-Y1015 HydrophobicContact CG-CG 4.49Å; N966-Y1015 WeakPolarHBondContact CA-OH 3.43Å; N966-Y1015 PolarHBondContact N-OH 3.39Å; N966-Y1015 PolarHBondContact O-OH 2.86Å; D969-Y1015 HydrophobicContact CB-CE1 3.91Å; R970-Y1015 HydrophobicContact CB-CD1 3.9Å; R970-Y1015 HydrophobicContact CB-CE1 3.8Å; R970-Y1015 HydrophobicContact CB-CG 4.31Å; R970-Y1015 HydrophobicContact CG-CD1 4.45Å; R970-Y1015 HydrophobicContact CG-CG 4.39Å; Q1011-Y1015 VanDerWaalsContact O-CD2 3.22Å; Q1011-Y1015 WeakPolarHBondContact O-CD2 3.35Å; E1012-Y1015 PolarHBondContact O-N 3.37Å; L1013-Y1015 PolarHBondContact O-N 3.39Å; Y1015-F1019 WeakPolarHBondContact O-CB 3.42Å; Y1015-F1019 PolarHBondContact O-N 2.87Å |
| 1016 | V | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72 | -40.4 | -174.1 | 174.4 | 0 | 0 | 0 | 0 | 113.6 | L958 L1001 L1002 A1005 E1012 F1019 A1020 L1099 | L958-V1016 HydrophobicContact CD2-CG2 3.98Å; L1001-V1016 HydrophobicContact CD1-CG2 4.37Å; L1001-V1016 HydrophobicContact CD2-CG1 3.93Å; L1001-V1016 HydrophobicContact CD2-CG2 4.36Å; L1001-V1016 HydrophobicContact CG-CG1 3.75Å; L1001-V1016 HydrophobicContact CG-CG2 4.13Å; L1002-V1016 HydrophobicContact CD2-CG1 3.86Å; L1002-V1016 HydrophobicContact CG-CG1 4.09Å; A1005-V1016 HydrophobicContact CB-CB 3.6Å; A1005-V1016 HydrophobicContact CB-CG1 3.85Å; A1005-V1016 HydrophobicContact CB-CG2 3.7Å; E1012-V1016 PolarHBondContact O-N 3.33Å; V1016-F1019 WeakPolarHBondContact O-CB 3.19Å; V1016-F1019 PolarHBondContact O-N 2.78Å; V1016-A1020 WeakPolarHBondContact O-CB 3.36Å; V1016-A1020 PolarHBondContact O-N 2.91Å; V1016-L1099 HydrophobicContact CG2-CD1 4.28Å; V1016-L1099 HydrophobicContact CG2-CD2 3.62Å |
| 1017 | V | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | -176.8 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | L1002 L1013 F1019 A1021 L1047 L1050 L1060 V1064 | L1002-V1017 HydrophobicContact CD2-CG2 4.07Å; L1013-V1017 HydrophobicContact CB-CG2 4.18Å; L1013-V1017 HydrophobicContact CD2-CG2 3.71Å; L1013-V1017 WeakPolarHBondContact O-CB 3.34Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.25Å; L1013-V1017 PolarHBondContact O-N 3.49Å; V1017-F1019 VanDerWaalsContact C-N 3.26Å; V1017-F1019 PolarHBondContact O-N 3.46Å; V1017-A1021 WeakPolarHBondContact O-CB 3.27Å; V1017-A1021 PolarHBondContact O-N 3.4Å; V1017-L1047 HydrophobicContact CG1-CD2 4.23Å; V1017-L1050 HydrophobicContact CG1-CD2 4.29Å; V1017-L1050 HydrophobicContact CG2-CD2 3.55Å; V1017-L1060 HydrophobicContact CB-CD2 4.2Å; V1017-L1060 HydrophobicContact CG1-CB 4.45Å; V1017-V1064 HydrophobicContact CG1-CG2 3.85Å |
| 1018 | P | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.5 | -25.4 | 174.4 | -21.5 | 35 | 0 | 0 | 0 | 114.1 | K974 L1014 K1022 | K974-P1018 HydrophobicContact CD-CB 3.54Å; K974-P1018 HydrophobicContact CG-CB 4.49Å; L1014-P1018 VanDerWaalsContact O-CD 3.28Å; L1014-P1018 WeakPolarHBondContact O-CD 3.29Å; L1014-P1018 WeakPolarHBondContact O-CG 3.22Å; P1018-K1022 WeakPolarHBondContact O-CB 3.43Å; P1018-K1022 PolarHBondContact O-N 2.89Å |
| 1019 | F | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.7 | -54.4 | 174.9 | 166.6 | -117.1 | 0 | 0 | 0 | 112 | I954 L958 L973 L996 L998 L1001 Y1015 V1016 V1017 A1021 K1022 I1023 | I954-F1019 HydrophobicContact CB-CZ 4.42Å; I954-F1019 HydrophobicContact CD1-CE2 3.86Å; I954-F1019 HydrophobicContact CD1-CZ 3.95Å; I954-F1019 HydrophobicContact CG1-CE2 3.96Å; I954-F1019 HydrophobicContact CG1-CZ 4.14Å; I954-F1019 HydrophobicContact CG2-CE1 4.17Å; I954-F1019 HydrophobicContact CG2-CE2 4.06Å; I954-F1019 HydrophobicContact CG2-CZ 3.44Å; I954-F1019 VanDerWaalsContact CG2-CZ 3.44Å; L958-F1019 HydrophobicContact CD1-CE1 4.28Å; L958-F1019 HydrophobicContact CD2-CD1 4.29Å; L958-F1019 HydrophobicContact CD2-CE1 4.38Å; L973-F1019 HydrophobicContact CD1-CD1 4.37Å; L973-F1019 HydrophobicContact CD1-CD2 3.74Å; L973-F1019 HydrophobicContact CD1-CE2 3.87Å; L973-F1019 HydrophobicContact CD1-CG 3.98Å; L973-F1019 HydrophobicContact CD1-CZ 4.27Å; L973-F1019 HydrophobicContact CD2-CB 3.72Å; L973-F1019 HydrophobicContact CD2-CD1 4.36Å; L973-F1019 HydrophobicContact CD2-CD2 4.39Å; L973-F1019 HydrophobicContact CD2-CG 3.91Å; L973-F1019 HydrophobicContact CG-CB 3.74Å; L973-F1019 HydrophobicContact CG-CD1 4.37Å; L973-F1019 HydrophobicContact CG-CD2 3.61Å; L973-F1019 HydrophobicContact CG-CE2 4.27Å; L973-F1019 HydrophobicContact CG-CG 3.64Å; L973-F1019 VanDerWaalsContact O-CD2 3.29Å; L973-F1019 WeakPolarHBondContact O-CD2 3.46Å; L996-F1019 HydrophobicContact CD1-CE1 4.16Å; L996-F1019 HydrophobicContact CD1-CZ 4.31Å; L996-F1019 HydrophobicContact CD2-CE1 3.99Å; L996-F1019 HydrophobicContact CD2-CZ 3.69Å; L998-F1019 HydrophobicContact CD2-CE1 4.16Å; L1001-F1019 HydrophobicContact CD2-CD1 3.85Å; L1001-F1019 HydrophobicContact CD2-CE1 3.58Å; Y1015-F1019 WeakPolarHBondContact O-CB 3.42Å; Y1015-F1019 PolarHBondContact O-N 2.87Å; V1016-F1019 WeakPolarHBondContact O-CB 3.19Å; V1016-F1019 PolarHBondContact O-N 2.78Å; V1017-F1019 VanDerWaalsContact C-N 3.26Å; V1017-F1019 PolarHBondContact O-N 3.46Å; F1019-A1021 VanDerWaalsContact C-N 3.35Å; F1019-A1021 PolarHBondContact O-N 2.87Å; F1019-K1022 PolarHBondContact O-N 3.43Å; F1019-I1023 HydrophobicContact CD1-CD1 4.42Å; F1019-I1023 HydrophobicContact CD2-CD1 4.13Å; F1019-I1023 HydrophobicContact CE1-CD1 3.89Å; F1019-I1023 HydrophobicContact CE2-CD1 3.59Å; F1019-I1023 HydrophobicContact CE2-CG1 4.33Å; F1019-I1023 HydrophobicContact CZ-CD1 3.44Å; F1019-I1023 VanDerWaalsContact CZ-CD1 3.44Å; F1019-I1023 PolarHBondContact O-N 2.89Å |
| 1020 | A | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L998 L1002 V1016 K1022 I1023 M1024 | L998-A1020 HydrophobicContact CD2-CB 4.35Å; L1002-A1020 HydrophobicContact CD1-CB 3.9Å; L1002-A1020 HydrophobicContact CD2-CB 4.1Å; L1002-A1020 HydrophobicContact CG-CB 4.08Å; V1016-A1020 WeakPolarHBondContact O-CB 3.36Å; V1016-A1020 PolarHBondContact O-N 2.91Å; A1020-K1022 VanDerWaalsContact C-N 3.35Å; A1020-K1022 PolarHBondContact O-N 3.37Å; A1020-I1023 WeakPolarHBondContact O-CB 3.19Å; A1020-I1023 PolarHBondContact O-N 2.87Å; A1020-I1023 VanDerWaalsContact O-N 3.12Å; A1020-M1024 VanDerWaalsContact O-CG 3.27Å; A1020-M1024 WeakPolarHBondContact O-CG 3.42Å; A1020-M1024 PolarHBondContact O-N 2.86Å |
| 1021 | A | 92.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.2 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1017 F1019 I1023 M1024 E1025 L1067 | V1017-A1021 WeakPolarHBondContact O-CB 3.27Å; V1017-A1021 PolarHBondContact O-N 3.4Å; F1019-A1021 VanDerWaalsContact C-N 3.35Å; F1019-A1021 PolarHBondContact O-N 2.87Å; A1021-I1023 VanDerWaalsContact C-N 3.32Å; A1021-I1023 PolarHBondContact O-N 2.66Å; A1021-M1024 CarbonylContact O-C 3.47Å; A1021-M1024 WeakPolarHBondContact O-CA 3.18Å; A1021-M1024 PolarHBondContact O-N 3.31Å; A1021-E1025 WeakPolarHBondContact O-CG 3.49Å; A1021-E1025 PolarHBondContact O-N 3.44Å; A1021-L1067 HydrophobicContact CB-CB 4.36Å; A1021-L1067 HydrophobicContact CB-CD2 4.28Å |
| 1022 | K | 93.1 | Very high | 88.9 | Confident | 33 Ų | 33 | 26.3 Ų | 26.3 | 14% | 0.143 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.6 | -18.2 | 178.9 | -76.5 | -130.4 | 173.8 | -75.5 | 0 | 115.5 | K974 H978 P1018 F1019 A1020 E1025 | K974-K1022 HydrophobicContact CD-CD 4.14Å; K974-K1022 HydrophobicContact CD-CG 4.01Å; K974-K1022 HydrophobicContact CG-CB 4.16Å; K974-K1022 HydrophobicContact CG-CD 3.67Å; K974-K1022 HydrophobicContact CG-CG 3.72Å; H978-K1022 VanDerWaalsContact CA-O 3.26Å; H978-K1022 WeakPolarHBondContact CA-O 3.32Å; H978-K1022 HydrophobicContact CB-CB 4.27Å; H978-K1022 HydrophobicContact CB-CD 4.28Å; P1018-K1022 WeakPolarHBondContact O-CB 3.43Å; P1018-K1022 PolarHBondContact O-N 2.89Å; F1019-K1022 PolarHBondContact O-N 3.43Å; A1020-K1022 VanDerWaalsContact C-N 3.35Å; A1020-K1022 PolarHBondContact O-N 3.37Å; K1022-E1025 WeakPolarHBondContact CD-OE2 3.12Å; K1022-E1025 IonicContact NZ-OE1 3.56Å; K1022-E1025 PolarHBondContact NZ-OE1 3.1Å; K1022-E1025 IonicContact NZ-OE2 3.66Å; K1022-E1025 PolarHBondContact NZ-OE2 2.95Å |
| 1023 | I | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.3 | -49.2 | 162.7 | -70.8 | 166.5 | 0 | 0 | 0 | 110 | G977 L980 I985 I991 L996 L998 F1019 A1020 A1021 E1025 A1026 | G977-I1023 VanDerWaalsContact CA-CG1 3.44Å; G977-I1023 WeakPolarHBondContact O-CG1 3.4Å; L980-I1023 HydrophobicContact CD2-CD1 4.04Å; I985-I1023 HydrophobicContact CD1-CG2 3.39Å; I991-I1023 HydrophobicContact CD1-CG2 3.61Å; L996-I1023 HydrophobicContact CD2-CD1 3.94Å; L998-I1023 HydrophobicContact CD1-CB 4.44Å; L998-I1023 HydrophobicContact CD1-CD1 4.22Å; L998-I1023 HydrophobicContact CD1-CG2 3.85Å; L998-I1023 HydrophobicContact CD2-CD1 3.77Å; F1019-I1023 HydrophobicContact CD1-CD1 4.42Å; F1019-I1023 HydrophobicContact CD2-CD1 4.13Å; F1019-I1023 HydrophobicContact CE1-CD1 3.89Å; F1019-I1023 HydrophobicContact CE2-CD1 3.59Å; F1019-I1023 HydrophobicContact CE2-CG1 4.33Å; F1019-I1023 HydrophobicContact CZ-CD1 3.44Å; F1019-I1023 VanDerWaalsContact CZ-CD1 3.44Å; F1019-I1023 PolarHBondContact O-N 2.89Å; A1020-I1023 WeakPolarHBondContact O-CB 3.19Å; A1020-I1023 PolarHBondContact O-N 2.87Å; A1020-I1023 VanDerWaalsContact O-N 3.12Å; A1021-I1023 VanDerWaalsContact C-N 3.32Å; A1021-I1023 PolarHBondContact O-N 2.66Å; I1023-E1025 PolarHBondContact O-N 2.88Å; I1023-A1026 WeakPolarHBondContact O-CB 3.45Å; I1023-A1026 PolarHBondContact O-N 3.39Å; I1023-A1026 VanDerWaalsContact O-N 3.09Å |
| 1024 | M | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.2 | -19.1 | -175.6 | -63.8 | -62.5 | -76.1 | 0 | 0 | 113.8 | I985 A1020 A1021 A1026 C1027 W1039 T1040 I1043 L1044 L1047 L1067 | I985-M1024 HydrophobicContact CD1-SD 4.39Å; A1020-M1024 VanDerWaalsContact O-CG 3.27Å; A1020-M1024 WeakPolarHBondContact O-CG 3.42Å; A1020-M1024 PolarHBondContact O-N 2.86Å; A1021-M1024 CarbonylContact O-C 3.47Å; A1021-M1024 WeakPolarHBondContact O-CA 3.18Å; A1021-M1024 PolarHBondContact O-N 3.31Å; M1024-A1026 PolarHBondContact O-N 2.88Å; M1024-C1027 VanDerWaalsContact O-CB 3.22Å; M1024-C1027 WeakPolarHBondContact O-CB 3.22Å; M1024-C1027 PolarHBondContact O-N 3.49Å; M1024-C1027 PolarHBondContact O-SG 3.3Å; M1024-W1039 HydrophobicContact SD-CZ3 4.36Å; M1024-T1040 HydrophobicContact CE-CG2 3.82Å; M1024-I1043 HydrophobicContact CE-CB 3.73Å; M1024-I1043 HydrophobicContact CE-CG2 3.7Å; M1024-I1043 HydrophobicContact CG-CG2 3.97Å; M1024-I1043 HydrophobicContact SD-CB 4.14Å; M1024-I1043 HydrophobicContact SD-CD1 4.23Å; M1024-I1043 HydrophobicContact SD-CG2 3.69Å; M1024-L1044 HydrophobicContact CE-CD1 4.46Å; M1024-L1044 HydrophobicContact CE-CD2 4.03Å; M1024-L1044 HydrophobicContact CE-CG 3.77Å; M1024-L1047 HydrophobicContact CG-CD1 4.33Å; M1024-L1067 HydrophobicContact CB-CD1 3.74Å; M1024-L1067 HydrophobicContact CB-CD2 3.81Å; M1024-L1067 HydrophobicContact CB-CG 4.4Å; M1024-L1067 HydrophobicContact CG-CD2 4.5Å |
| 1025 | E | 90.6 | Very high | 87.6 | Confident | 22 Ų | 22 | 29.4 Ų | 29.4 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -54.5 | -33.3 | 169 | -66.1 | -173.4 | 156.2 | 0 | 0 | 112 | A1021 K1022 I1023 C1027 H1028 L1067 L1070 | A1021-E1025 WeakPolarHBondContact O-CG 3.49Å; A1021-E1025 PolarHBondContact O-N 3.44Å; K1022-E1025 WeakPolarHBondContact CD-OE2 3.12Å; K1022-E1025 IonicContact NZ-OE1 3.56Å; K1022-E1025 PolarHBondContact NZ-OE1 3.1Å; K1022-E1025 IonicContact NZ-OE2 3.66Å; K1022-E1025 PolarHBondContact NZ-OE2 2.95Å; I1023-E1025 PolarHBondContact O-N 2.88Å; E1025-C1027 PolarHBondContact O-N 2.83Å; E1025-H1028 PolarHBondContact O-CD2 2.93Å; E1025-H1028 PolarHBondContact O-N 2.99Å; E1025-L1067 HydrophobicContact CG-CD1 4.08Å; E1025-L1070 HydrophobicContact CB-CD2 3.74Å; E1025-L1070 HydrophobicContact CG-CD2 3.55Å |
| 1026 | A | 88 | Confident | 86.9 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -68.2 | -14.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G981 I985 I1023 M1024 H1028 R1029 S1030 | G981-A1026 WeakPolarHBondContact O-CB 3.47Å; I985-A1026 HydrophobicContact CB-CB 4.09Å; I985-A1026 HydrophobicContact CG2-CB 4.03Å; I1023-A1026 WeakPolarHBondContact O-CB 3.45Å; I1023-A1026 PolarHBondContact O-N 3.39Å; I1023-A1026 VanDerWaalsContact O-N 3.09Å; M1024-A1026 PolarHBondContact O-N 2.88Å; A1026-H1028 PolarHBondContact O-N 3.36Å; A1026-R1029 PolarHBondContact O-N 3.24Å; A1026-S1030 PolarHBondContact O-N 2.71Å |
| 1027 | C | 87.9 | Confident | 86.4 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -61.4 | -23.7 | 174.6 | -59.5 | 0 | 0 | 0 | 0 | 112 | I985 M1024 E1025 R1029 S1030 F1033 T1040 L1071 | I985-C1027 HydrophobicContact CG2-CB 4.25Å; I985-C1027 VanDerWaalsContact CG2-SG 3.53Å; M1024-C1027 VanDerWaalsContact O-CB 3.22Å; M1024-C1027 WeakPolarHBondContact O-CB 3.22Å; M1024-C1027 PolarHBondContact O-N 3.49Å; M1024-C1027 PolarHBondContact O-SG 3.3Å; E1025-C1027 PolarHBondContact O-N 2.83Å; C1027-R1029 PolarHBondContact O-N 3Å; C1027-R1029 VanDerWaalsContact O-N 3.12Å; C1027-S1030 PolarHBondContact O-N 3.07Å; C1027-F1033 WeakPolarHBondContact CB-O 3.29Å; C1027-T1040 HydrophobicContact CB-CG2 4.1Å; C1027-L1071 HydrophobicContact CB-CD2 4.01Å |
| 1028 | H | 85.3 | Confident | 85.9 | Confident | 104 Ų | 104 | 39.1 Ų | 39.1 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -66 | -10 | 174.9 | 97.8 | 68.6 | 0 | 0 | 0 | 113.8 | E1025 A1026 L1071 | E1025-H1028 PolarHBondContact O-CD2 2.93Å; E1025-H1028 PolarHBondContact O-N 2.99Å; A1026-H1028 PolarHBondContact O-N 3.36Å; H1028-L1071 HydrophobicContact CB-CD2 3.99Å |
| 1029 | R | 82.6 | Confident | 85.7 | Confident | 106 Ų | 106 | 43.7 Ų | 43.7 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -117.9 | -12.8 | -175.9 | -55.3 | 179.6 | 177 | -146 | 4.4 | 113.6 | N928 A1026 C1027 | N928-R1029 VanDerWaalsContact OD1-CZ 3.23Å; N928-R1029 PolarHBondContact OD1-NH1 3.33Å; N928-R1029 PolarHBondContact OD1-NH2 3.48Å; A1026-R1029 PolarHBondContact O-N 3.24Å; C1027-R1029 PolarHBondContact O-N 3Å; C1027-R1029 VanDerWaalsContact O-N 3.12Å |
| 1030 | S | 84.9 | Confident | 85.3 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | trans | -83.7 | 139.3 | -178.1 | -156.8 | 0 | 0 | 0 | 0 | 109.8 | I985 N988 A1026 C1027 F1033 H1034 | I985-S1030 WeakPolarHBondContact O-CB 3.27Å; I985-S1030 PolarHBondContact O-OG 3.27Å; N988-S1030 PolarHBondContact OD1-OG 3.49Å; A1026-S1030 PolarHBondContact O-N 2.71Å; C1027-S1030 PolarHBondContact O-N 3.07Å; S1030-F1033 WeakPolarHBondContact OG-CA 3.5Å; S1030-F1033 WeakPolarHBondContact OG-CB 3.46Å; S1030-F1033 WeakPolarHBondContact OG-CD2 3.2Å; S1030-F1033 PolarHBondContact OG-N 3.37Å; S1030-H1034 WeakPolarHBondContact O-CB 3.34Å | ||
| 1031 | L | 78.2 | Confident | 85 | Confident | 125 Ų | 125 | 45.7 Ų | 45.7 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -88.1 | -32.1 | 165.8 | -61.2 | 177.9 | 0 | 0 | 0 | 110.1 | N988 H1034 | N988-L1031 PolarHBondContact OD1-N 2.62Å; L1031-H1034 PolarHBondContact O-CD2 2.86Å |
| 1032 | V | 81.5 | Confident | 84.6 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -87 | -42.6 | -178.5 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | N988 H1034 S1037 | N988-V1032 HydrophobicContact CB-CB 4.22Å; N988-V1032 HydrophobicContact CB-CG2 3.86Å; N988-V1032 PolarHBondContact OD1-N 3.26Å; V1032-H1034 VanDerWaalsContact C-N 3.33Å; V1032-S1037 VanDerWaalsContact O-CB 3.25Å; V1032-S1037 WeakPolarHBondContact O-CB 3.31Å; V1032-S1037 PolarHBondContact O-OG 3.48Å |
| 1033 | F | 84.1 | Confident | 84.5 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -99 | 25 | 179.7 | -56.3 | -76.5 | 0 | 0 | 0 | 112.1 | I985 P990 C1027 S1030 S1037 W1039 T1040 | I985-F1033 HydrophobicContact CG2-CB 3.77Å; I985-F1033 HydrophobicContact CG2-CG 4.48Å; P990-F1033 HydrophobicContact CB-CE1 4.32Å; P990-F1033 HydrophobicContact CB-CZ 3.72Å; P990-F1033 HydrophobicContact CG-CZ 4.45Å; C1027-F1033 WeakPolarHBondContact CB-O 3.29Å; S1030-F1033 WeakPolarHBondContact OG-CA 3.5Å; S1030-F1033 WeakPolarHBondContact OG-CB 3.46Å; S1030-F1033 WeakPolarHBondContact OG-CD2 3.2Å; S1030-F1033 PolarHBondContact OG-N 3.37Å; F1033-S1037 WeakPolarHBondContact CA-OG 3.45Å; F1033-W1039 HydrophobicContact CD1-CD2 4.44Å; F1033-W1039 AromaticContact CD1-CE3 3.82Å; F1033-W1039 HydrophobicContact CD1-CE3 3.82Å; F1033-W1039 HydrophobicContact CD1-CZ3 4.33Å; F1033-W1039 HydrophobicContact CE1-CE3 4.45Å; F1033-T1040 PolarHBondContact O-OG1 3.32Å |
| 1034 | H | 78.3 | Confident | 84.3 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -57.3 | 164.4 | 172 | 77.3 | 133.6 | 0 | 0 | 0 | 111.4 | S279 S1030 L1031 V1032 Q1036 S1037 | S279-H1034 PolarHBondContact OG-ND1 3.35Å; S1030-H1034 WeakPolarHBondContact O-CB 3.34Å; L1031-H1034 PolarHBondContact O-CD2 2.86Å; V1032-H1034 VanDerWaalsContact C-N 3.33Å; H1034-Q1036 PolarHBondContact CE1-OE1 2.68Å; H1034-Q1036 PolarHBondContact O-N 2.95Å; H1034-S1037 WeakPolarHBondContact O-CB 3.33Å; H1034-S1037 PolarHBondContact O-N 3.27Å; H1034-S1037 PolarHBondContact O-OG 3.37Å |
| 1035 | K | 73.7 | Confident | 84.1 | Confident | 62 Ų | 62 | 47 Ų | 47 | 27% | 0.27 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -10.7 | -167.8 | 70.1 | 178 | 174.3 | -171.8 | 0 | 116.9 | M1041 L1071 N1072 I1073 | K1035-M1041 WeakPolarHBondContact O-CG 3.34Å; K1035-L1071 VanDerWaalsContact CD-O 3.31Å; K1035-L1071 WeakPolarHBondContact CD-O 3.42Å; K1035-L1071 PolarHBondContact NZ-O 3.33Å; K1035-N1072 PolarHBondContact NZ-O 3.1Å; K1035-I1073 HydrophobicContact CB-CD1 4.3Å; K1035-I1073 HydrophobicContact CD-CD1 4.15Å; K1035-I1073 HydrophobicContact CD-CG1 3.95Å |
| 1036 | Q | 75.8 | Confident | 84 | Confident | 82 Ų | 82 | 46 Ų | 46 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -12.4 | 175.4 | -61.7 | 163.4 | -72.5 | 0 | 0 | 112.6 | S279 H1034 | S279-Q1036 PolarHBondContact OG-OE1 2.71Å; H1034-Q1036 PolarHBondContact CE1-OE1 2.68Å; H1034-Q1036 PolarHBondContact O-N 2.95Å |
| 1037 | S | 81.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -66.2 | 136.2 | -179.7 | 64 | 0 | 0 | 0 | 0 | 111.3 | V1032 F1033 H1034 W1039 T1040 M1041 | V1032-S1037 VanDerWaalsContact O-CB 3.25Å; V1032-S1037 WeakPolarHBondContact O-CB 3.31Å; V1032-S1037 PolarHBondContact O-OG 3.48Å; F1033-S1037 WeakPolarHBondContact CA-OG 3.45Å; H1034-S1037 WeakPolarHBondContact O-CB 3.33Å; H1034-S1037 PolarHBondContact O-N 3.27Å; H1034-S1037 PolarHBondContact O-OG 3.37Å; S1037-W1039 VanDerWaalsContact C-N 3.27Å; S1037-W1039 PolarHBondContact O-N 2.98Å; S1037-W1039 VanDerWaalsContact O-N 3.14Å; S1037-T1040 PolarHBondContact O-N 3.32Å; S1037-T1040 VanDerWaalsContact OG-CB 3.29Å; S1037-T1040 WeakPolarHBondContact OG-CB 3.31Å; S1037-T1040 PolarHBondContact OG-OG1 3.47Å; S1037-M1041 PolarHBondContact O-N 3.27Å |
| 1038 | P | 81.4 | Confident | 84.2 | Confident | 117 Ų | 117 | 45.7 Ų | 45.7 | 76% | 0.76 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -57.7 | -33.7 | -171.6 | -29.7 | 36 | 0 | 0 | 0 | 115.1 | G1042 | P1038-G1042 PolarHBondContact O-N 3.15Å |
| 1039 | W | 86 | Confident | 84.3 | Confident | 95 Ų | 95 | 41.2 Ų | 41.2 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.1 | -43.2 | 177.1 | -177.8 | 89.2 | 0 | 0 | 0 | 112.2 | I985 I991 L998 M1024 F1033 S1037 I1043 | I985-W1039 HydrophobicContact CD1-CH2 3.81Å; I985-W1039 HydrophobicContact CD1-CZ3 3.73Å; I985-W1039 HydrophobicContact CG1-CH2 4.19Å; I985-W1039 HydrophobicContact CG1-CZ3 4.04Å; I991-W1039 HydrophobicContact CB-CZ2 4.32Å; I991-W1039 HydrophobicContact CD1-CH2 4.12Å; I991-W1039 HydrophobicContact CG1-CH2 4.49Å; L998-W1039 HydrophobicContact CD1-CH2 4.08Å; L998-W1039 HydrophobicContact CD1-CZ2 4.31Å; M1024-W1039 HydrophobicContact SD-CZ3 4.36Å; F1033-W1039 HydrophobicContact CD1-CD2 4.44Å; F1033-W1039 AromaticContact CD1-CE3 3.82Å; F1033-W1039 HydrophobicContact CD1-CE3 3.82Å; F1033-W1039 HydrophobicContact CD1-CZ3 4.33Å; F1033-W1039 HydrophobicContact CE1-CE3 4.45Å; S1037-W1039 VanDerWaalsContact C-N 3.27Å; S1037-W1039 PolarHBondContact O-N 2.98Å; S1037-W1039 VanDerWaalsContact O-N 3.14Å; W1039-I1043 HydrophobicContact CD2-CD1 3.9Å; W1039-I1043 HydrophobicContact CE3-CD1 4.03Å; W1039-I1043 HydrophobicContact CH2-CD1 3.56Å; W1039-I1043 HydrophobicContact CZ2-CD1 3.42Å; W1039-I1043 VanDerWaalsContact CZ2-CD1 3.42Å; W1039-I1043 HydrophobicContact CZ3-CD1 3.86Å; W1039-I1043 PolarHBondContact O-N 3.3Å |
| 1040 | T | 86.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.7 | -41.6 | 175.7 | -68 | 0 | 0 | 0 | 0 | 110.7 | M1024 C1027 F1033 S1037 I1043 L1044 | M1024-T1040 HydrophobicContact CE-CG2 3.82Å; C1027-T1040 HydrophobicContact CB-CG2 4.1Å; F1033-T1040 PolarHBondContact O-OG1 3.32Å; S1037-T1040 PolarHBondContact O-N 3.32Å; S1037-T1040 VanDerWaalsContact OG-CB 3.29Å; S1037-T1040 WeakPolarHBondContact OG-CB 3.31Å; S1037-T1040 PolarHBondContact OG-OG1 3.47Å; T1040-I1043 PolarHBondContact O-N 3.09Å; T1040-L1044 HydrophobicContact CG2-CD1 3.68Å; T1040-L1044 HydrophobicContact CG2-CG 4.36Å; T1040-L1044 WeakPolarHBondContact O-CB 3.44Å; T1040-L1044 VanDerWaalsContact O-CG 3.25Å; T1040-L1044 WeakPolarHBondContact O-CG 3.43Å; T1040-L1044 PolarHBondContact O-N 2.99Å |
| 1041 | M | 86.6 | Confident | 84.7 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 21% | 0.212 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.5 | -55 | 173.2 | -80.2 | -64.6 | -60.9 | 0 | 0 | 111.4 | K1035 S1037 I1043 L1044 Q1045 F1078 | K1035-M1041 WeakPolarHBondContact O-CG 3.34Å; S1037-M1041 PolarHBondContact O-N 3.27Å; M1041-I1043 VanDerWaalsContact C-N 3.27Å; M1041-I1043 PolarHBondContact O-N 2.95Å; M1041-L1044 CarbonylContact O-C 3.58Å; M1041-L1044 WeakPolarHBondContact O-CA 3.46Å; M1041-L1044 PolarHBondContact O-N 3.18Å; M1041-Q1045 HydrophobicContact CE-CG 4.28Å; M1041-Q1045 WeakPolarHBondContact O-CB 3.46Å; M1041-Q1045 VanDerWaalsContact O-CG 3.29Å; M1041-Q1045 WeakPolarHBondContact O-CG 3.1Å; M1041-Q1045 PolarHBondContact O-N 3.13Å; M1041-F1078 HydrophobicContact CE-CE1 4.3Å; M1041-F1078 HydrophobicContact CE-CE2 3.93Å; M1041-F1078 HydrophobicContact CE-CZ 3.52Å; M1041-F1078 HydrophobicContact SD-CE2 3.97Å; M1041-F1078 HydrophobicContact SD-CZ 3.61Å |
| 1042 | G | 85.2 | Confident | 84.9 | Confident | 13 Ų | 13 | 36.8 Ų | 36.8 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -35 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1038 L1046 | P1038-G1042 PolarHBondContact O-N 3.15Å; G1042-L1046 WeakPolarHBondContact O-CB 3.41Å; G1042-L1046 PolarHBondContact O-N 3.33Å; G1042-L1046 VanDerWaalsContact O-N 3.15Å |
| 1043 | I | 90 | Very high | 84.9 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.8 | -36.1 | 175.3 | -63 | 166.4 | 0 | 0 | 0 | 111.6 | L998 L1002 M1024 W1039 T1040 M1041 L1047 | L998-I1043 HydrophobicContact CB-CD1 3.91Å; L998-I1043 HydrophobicContact CB-CG1 4.44Å; L998-I1043 HydrophobicContact CD1-CD1 4.12Å; L1002-I1043 HydrophobicContact CD1-CG2 4.19Å; M1024-I1043 HydrophobicContact CE-CB 3.73Å; M1024-I1043 HydrophobicContact CE-CG2 3.7Å; M1024-I1043 HydrophobicContact CG-CG2 3.97Å; M1024-I1043 HydrophobicContact SD-CB 4.14Å; M1024-I1043 HydrophobicContact SD-CD1 4.23Å; M1024-I1043 HydrophobicContact SD-CG2 3.69Å; W1039-I1043 HydrophobicContact CD2-CD1 3.9Å; W1039-I1043 HydrophobicContact CE3-CD1 4.03Å; W1039-I1043 HydrophobicContact CH2-CD1 3.56Å; W1039-I1043 HydrophobicContact CZ2-CD1 3.42Å; W1039-I1043 VanDerWaalsContact CZ2-CD1 3.42Å; W1039-I1043 HydrophobicContact CZ3-CD1 3.86Å; W1039-I1043 PolarHBondContact O-N 3.3Å; T1040-I1043 PolarHBondContact O-N 3.09Å; M1041-I1043 VanDerWaalsContact C-N 3.27Å; M1041-I1043 PolarHBondContact O-N 2.95Å; I1043-L1047 HydrophobicContact CG2-CD1 4.11Å; I1043-L1047 WeakPolarHBondContact O-CB 3.43Å; I1043-L1047 VanDerWaalsContact O-CG 3.29Å; I1043-L1047 WeakPolarHBondContact O-CG 3.43Å; I1043-L1047 PolarHBondContact O-N 3.15Å |
| 1044 | L | 89.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.5 | -37.9 | 174.6 | -69.2 | 168.8 | 0 | 0 | 0 | 112 | M1024 T1040 M1041 L1047 C1048 L1067 L1071 I1073 F1078 | M1024-L1044 HydrophobicContact CE-CD1 4.46Å; M1024-L1044 HydrophobicContact CE-CD2 4.03Å; M1024-L1044 HydrophobicContact CE-CG 3.77Å; T1040-L1044 HydrophobicContact CG2-CD1 3.68Å; T1040-L1044 HydrophobicContact CG2-CG 4.36Å; T1040-L1044 WeakPolarHBondContact O-CB 3.44Å; T1040-L1044 VanDerWaalsContact O-CG 3.25Å; T1040-L1044 WeakPolarHBondContact O-CG 3.43Å; T1040-L1044 PolarHBondContact O-N 2.99Å; M1041-L1044 CarbonylContact O-C 3.58Å; M1041-L1044 WeakPolarHBondContact O-CA 3.46Å; M1041-L1044 PolarHBondContact O-N 3.18Å; L1044-L1047 PolarHBondContact O-N 2.93Å; L1044-C1048 WeakPolarHBondContact O-CB 3.23Å; L1044-C1048 PolarHBondContact O-N 3.17Å; L1044-C1048 PolarHBondContact O-SG 2.88Å; L1044-L1067 HydrophobicContact CD2-CD2 3.81Å; L1044-L1067 HydrophobicContact CD2-CG 4.37Å; L1044-L1071 HydrophobicContact CD1-CD1 4.04Å; L1044-L1071 HydrophobicContact CD2-CD1 3.65Å; L1044-L1071 HydrophobicContact CG-CD1 4.47Å; L1044-I1073 HydrophobicContact CD1-CD1 3.67Å; L1044-F1078 HydrophobicContact CB-CE1 3.83Å; L1044-F1078 HydrophobicContact CB-CZ 3.89Å |
| 1045 | Q | 88 | Confident | 84 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 175.7 | -73.2 | -177.4 | -78.9 | 0 | 0 | 110 | M1041 L1047 C1048 E1049 F1078 S1079 | M1041-Q1045 HydrophobicContact CE-CG 4.28Å; M1041-Q1045 WeakPolarHBondContact O-CB 3.46Å; M1041-Q1045 VanDerWaalsContact O-CG 3.29Å; M1041-Q1045 WeakPolarHBondContact O-CG 3.1Å; M1041-Q1045 PolarHBondContact O-N 3.13Å; Q1045-L1047 VanDerWaalsContact C-N 3.33Å; Q1045-L1047 PolarHBondContact O-N 3.25Å; Q1045-C1048 PolarHBondContact O-N 3.05Å; Q1045-E1049 VanDerWaalsContact O-CB 3.27Å; Q1045-E1049 WeakPolarHBondContact O-CB 3.48Å; Q1045-E1049 PolarHBondContact O-N 3.1Å; Q1045-F1078 HydrophobicContact CB-CE1 4.44Å; Q1045-F1078 HydrophobicContact CG-CD1 4.45Å; Q1045-F1078 HydrophobicContact CG-CE1 3.69Å; Q1045-F1078 HydrophobicContact CG-CZ 4.37Å; Q1045-S1079 WeakPolarHBondContact CG-O 3.46Å; Q1045-S1079 PolarHBondContact NE2-O 3.35Å |
| 1046 | L | 89.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -36.3 | 173.7 | -175.7 | 75.3 | 0 | 0 | 0 | 113.6 | K999 L1002 V1003 G1042 L1050 D1083 L1084 | K999-L1046 HydrophobicContact CB-CD2 4.26Å; K999-L1046 HydrophobicContact CG-CD2 4.12Å; K999-L1046 WeakPolarHBondContact O-CD2 3.12Å; L1002-L1046 HydrophobicContact CB-CD2 3.48Å; L1002-L1046 VanDerWaalsContact CB-CD2 3.48Å; L1002-L1046 HydrophobicContact CB-CG 4.22Å; L1002-L1046 HydrophobicContact CD1-CD2 3.8Å; L1002-L1046 HydrophobicContact CD1-CG 4.46Å; L1002-L1046 HydrophobicContact CG-CD2 4.29Å; V1003-L1046 HydrophobicContact CG2-CD1 3.78Å; V1003-L1046 HydrophobicContact CG2-CD2 4.32Å; G1042-L1046 WeakPolarHBondContact O-CB 3.41Å; G1042-L1046 PolarHBondContact O-N 3.33Å; G1042-L1046 VanDerWaalsContact O-N 3.15Å; L1046-L1050 WeakPolarHBondContact O-CB 3.45Å; L1046-L1050 PolarHBondContact O-N 2.99Å; L1046-D1083 HydrophobicContact CB-CB 4.46Å; L1046-D1083 HydrophobicContact CD1-CB 3.45Å; L1046-D1083 VanDerWaalsContact CD1-CB 3.45Å; L1046-L1084 HydrophobicContact CD1-CB 4.31Å; L1046-L1084 HydrophobicContact CD1-CD2 3.54Å; L1046-L1084 HydrophobicContact CD1-CG 3.65Å; L1046-L1084 VanDerWaalsContact CD1-N 3.34Å; L1046-L1084 HydrophobicContact CG-CD2 4.14Å; L1046-L1084 HydrophobicContact CG-CG 4.48Å |
| 1047 | L | 91.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.3 | -37.7 | 176.7 | -76.8 | 168.7 | 0 | 0 | 0 | 112.4 | L1002 V1017 M1024 I1043 L1044 Q1045 L1050 H1051 V1064 L1067 | L1002-L1047 HydrophobicContact CD1-CD1 4.48Å; L1002-L1047 HydrophobicContact CD1-CD2 3.75Å; L1002-L1047 HydrophobicContact CD1-CG 3.87Å; L1002-L1047 HydrophobicContact CD2-CD2 3.69Å; L1002-L1047 HydrophobicContact CG-CD2 4.41Å; V1017-L1047 HydrophobicContact CG1-CD2 4.23Å; M1024-L1047 HydrophobicContact CG-CD1 4.33Å; I1043-L1047 HydrophobicContact CG2-CD1 4.11Å; I1043-L1047 WeakPolarHBondContact O-CB 3.43Å; I1043-L1047 VanDerWaalsContact O-CG 3.29Å; I1043-L1047 WeakPolarHBondContact O-CG 3.43Å; I1043-L1047 PolarHBondContact O-N 3.15Å; L1044-L1047 PolarHBondContact O-N 2.93Å; Q1045-L1047 VanDerWaalsContact C-N 3.33Å; Q1045-L1047 PolarHBondContact O-N 3.25Å; L1047-L1050 CarbonylContact O-C 3.49Å; L1047-L1050 WeakPolarHBondContact O-CB 3.36Å; L1047-L1050 PolarHBondContact O-N 3.14Å; L1047-H1051 PolarHBondContact O-N 3.27Å; L1047-V1064 HydrophobicContact CB-CG1 4.26Å; L1047-V1064 HydrophobicContact CB-CG2 4.37Å; L1047-V1064 HydrophobicContact CD2-CG2 4.22Å; L1047-V1064 WeakPolarHBondContact O-CG1 3.39Å; L1047-L1067 HydrophobicContact CD1-CD2 3.68Å |
| 1048 | C | 88.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.7 | -38.3 | 173.3 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | L1044 Q1045 L1050 H1051 E1052 F1078 T1080 | L1044-C1048 WeakPolarHBondContact O-CB 3.23Å; L1044-C1048 PolarHBondContact O-N 3.17Å; L1044-C1048 PolarHBondContact O-SG 2.88Å; Q1045-C1048 PolarHBondContact O-N 3.05Å; C1048-L1050 PolarHBondContact O-N 3.09Å; C1048-H1051 CarbonylContact O-C 3.12Å; C1048-H1051 WeakPolarHBondContact O-CA 3.44Å; C1048-H1051 VanDerWaalsContact O-CB 3.27Å; C1048-H1051 WeakPolarHBondContact O-CB 3.47Å; C1048-H1051 PolarHBondContact O-N 3.29Å; C1048-E1052 PolarHBondContact O-N 3.19Å; C1048-F1078 HydrophobicContact CB-CD1 4.07Å; C1048-T1080 VanDerWaalsContact C-CG2 3.47Å; C1048-T1080 HydrophobicContact CB-CG2 3.48Å; C1048-T1080 VanDerWaalsContact CB-CG2 3.48Å |
| 1049 | E | 87.7 | Confident | 84.3 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.9 | -40.2 | 170.8 | -162.4 | -174.3 | 153 | 0 | 0 | 109.7 | Q1045 H1051 E1052 E1053 T1080 G1081 N1082 D1083 L1084 H1085 | Q1045-E1049 VanDerWaalsContact O-CB 3.27Å; Q1045-E1049 WeakPolarHBondContact O-CB 3.48Å; Q1045-E1049 PolarHBondContact O-N 3.1Å; E1049-H1051 VanDerWaalsContact C-N 3.3Å; E1049-H1051 PolarHBondContact O-N 2.74Å; E1049-E1052 PolarHBondContact O-N 3.39Å; E1049-E1053 WeakPolarHBondContact O-CG 3.26Å; E1049-E1053 PolarHBondContact O-N 3.01Å; E1049-E1053 VanDerWaalsContact O-N 3.09Å; E1049-T1080 HydrophobicContact CB-CG2 4.27Å; E1049-T1080 VanDerWaalsContact N-CG2 3.29Å; E1049-G1081 VanDerWaalsContact OE2-C 3.28Å; E1049-N1082 VanDerWaalsContact OE1-CA 3.26Å; E1049-N1082 WeakPolarHBondContact OE1-CA 3.35Å; E1049-N1082 PolarHBondContact OE2-N 3.26Å; E1049-D1083 VanDerWaalsContact CD-N 3.33Å; E1049-D1083 PolarHBondContact OE1-N 3.46Å; E1049-D1083 PolarHBondContact OE2-N 3.26Å; E1049-L1084 HydrophobicContact CB-CD1 4.04Å; E1049-L1084 HydrophobicContact CB-CG 4.32Å; E1049-L1084 HydrophobicContact CG-CB 4.39Å; E1049-L1084 HydrophobicContact CG-CD1 3.93Å; E1049-L1084 HydrophobicContact CG-CG 4.14Å; E1049-L1084 VanDerWaalsContact OE1-CB 3.24Å; E1049-L1084 WeakPolarHBondContact OE1-CB 3Å; E1049-L1084 PolarHBondContact OE1-N 2.74Å; E1049-L1084 PolarHBondContact OE2-N 3.22Å; E1049-H1085 IonicContact OE1-CD2 2.67Å; E1049-H1085 PolarHBondContact OE1-CD2 3.34Å |
| 1050 | L | 87.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.2 | -16.3 | 173.5 | -159.4 | 125.5 | 0 | 0 | 0 | 114.3 | F1006 L1013 V1017 L1046 L1047 C1048 V1056 L1084 | F1006-L1050 HydrophobicContact CB-CD1 4.13Å; F1006-L1050 HydrophobicContact CD2-CD1 3.7Å; F1006-L1050 HydrophobicContact CE2-CD1 4.49Å; F1006-L1050 HydrophobicContact CG-CD1 4.26Å; L1013-L1050 HydrophobicContact CD1-CD1 4.36Å; L1013-L1050 HydrophobicContact CD2-CD1 3.6Å; L1013-L1050 HydrophobicContact CD2-CD2 4.39Å; V1017-L1050 HydrophobicContact CG1-CD2 4.29Å; V1017-L1050 HydrophobicContact CG2-CD2 3.55Å; L1046-L1050 WeakPolarHBondContact O-CB 3.45Å; L1046-L1050 PolarHBondContact O-N 2.99Å; L1047-L1050 CarbonylContact O-C 3.49Å; L1047-L1050 WeakPolarHBondContact O-CB 3.36Å; L1047-L1050 PolarHBondContact O-N 3.14Å; C1048-L1050 PolarHBondContact O-N 3.09Å; L1050-V1056 HydrophobicContact CD2-CG1 3.91Å; L1050-V1056 HydrophobicContact CD2-CG2 4.33Å; L1050-V1056 HydrophobicContact CG-CG2 4.12Å; L1050-V1056 WeakPolarHBondContact O-CG1 3.48Å; L1050-L1084 HydrophobicContact CB-CD1 3.82Å; L1050-L1084 HydrophobicContact CD1-CD1 4.07Å; L1050-L1084 HydrophobicContact CD1-CD2 3.73Å; L1050-L1084 HydrophobicContact CG-CD1 4.27Å |
| 1051 | H | 87.1 | Confident | 84.4 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80.6 | -36.4 | 168.2 | -177.6 | -74.6 | 0 | 0 | 0 | 111.2 | L1047 C1048 E1049 K1061 V1064 E1065 V1075 | L1047-H1051 PolarHBondContact O-N 3.27Å; C1048-H1051 CarbonylContact O-C 3.12Å; C1048-H1051 WeakPolarHBondContact O-CA 3.44Å; C1048-H1051 VanDerWaalsContact O-CB 3.27Å; C1048-H1051 WeakPolarHBondContact O-CB 3.47Å; C1048-H1051 PolarHBondContact O-N 3.29Å; E1049-H1051 VanDerWaalsContact C-N 3.3Å; E1049-H1051 PolarHBondContact O-N 2.74Å; H1051-K1061 PolarHBondContact CD2-O 3.16Å; H1051-K1061 VanDerWaalsContact CD2-O 3.3Å; H1051-K1061 WeakPolarHBondContact O-CD 3.2Å; H1051-K1061 WeakPolarHBondContact O-CE 3.43Å; H1051-K1061 PolarHBondContact O-NZ 3.09Å; H1051-V1064 HydrophobicContact CB-CB 4.44Å; H1051-V1064 HydrophobicContact CB-CG1 4.08Å; H1051-E1065 IonicContact CD2-OE1 3.56Å; H1051-E1065 IonicContact CE1-OE1 3.78Å; H1051-E1065 VanDerWaalsContact NE2-CG 3.3Å; H1051-E1065 WeakPolarHBondContact NE2-CG 3.39Å; H1051-E1065 IonicContact NE2-OE1 2.77Å; H1051-E1065 PolarHBondContact NE2-OE1 3.42Å; H1051-V1075 HydrophobicContact CB-CG1 4.09Å |
| 1052 | E | 83.8 | Confident | 84.4 | Confident | 111 Ų | 111 | 43.7 Ų | 43.7 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.4 | -43.5 | 177.6 | -64.9 | -173.8 | 127.6 | 0 | 0 | 111.3 | C1048 E1049 Q1054 K1061 T1080 | C1048-E1052 PolarHBondContact O-N 3.19Å; E1049-E1052 PolarHBondContact O-N 3.39Å; E1052-Q1054 PolarHBondContact O-N 2.94Å; E1052-K1061 PolarHBondContact O-NZ 3.14Å; E1052-T1080 WeakPolarHBondContact OE2-CB 3.5Å; E1052-T1080 VanDerWaalsContact OE2-CG2 3.24Å; E1052-T1080 WeakPolarHBondContact OE2-CG2 3.41Å; E1052-T1080 PolarHBondContact OE2-OG1 3.45Å |
| 1053 | E | 81.5 | Confident | 84.5 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | trans | -40.5 | 118.2 | 178.4 | -87.9 | -73.1 | 121.8 | 0 | 0 | 115.6 | F1006 E1049 D1055 V1056 K1061 L1084 H1085 | F1006-E1053 HydrophobicContact CE2-CB 4.29Å; F1006-E1053 HydrophobicContact CE2-CG 3.59Å; F1006-E1053 WeakPolarHBondContact CE2-OE2 3.44Å; F1006-E1053 VanDerWaalsContact CZ-CD 3.43Å; F1006-E1053 HydrophobicContact CZ-CG 3.79Å; F1006-E1053 WeakPolarHBondContact CZ-OE2 3.25Å; E1049-E1053 WeakPolarHBondContact O-CG 3.26Å; E1049-E1053 PolarHBondContact O-N 3.01Å; E1049-E1053 VanDerWaalsContact O-N 3.09Å; E1053-D1055 PolarHBondContact O-N 3.32Å; E1053-V1056 HydrophobicContact CB-CB 4.42Å; E1053-V1056 HydrophobicContact CB-CG2 3.67Å; E1053-V1056 PolarHBondContact O-N 2.74Å; E1053-K1061 WeakPolarHBondContact O-CE 3.36Å; E1053-K1061 PolarHBondContact O-NZ 3.28Å; E1053-L1084 HydrophobicContact CG-CD1 3.84Å; E1053-H1085 IonicContact OE1-CE1 3.63Å; E1053-H1085 PolarHBondContact OE1-CE1 3.06Å; E1053-H1085 IonicContact OE1-NE2 3.34Å; E1053-H1085 PolarHBondContact OE1-NE2 2.88Å | ||
| 1054 | Q | 72.3 | Confident | 84.4 | Confident | 170 Ų | 170 | 44.4 Ų | 44.4 | 79% | 0.794 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -37.5 | -168 | -62.1 | -171.6 | 13.7 | 0 | 0 | 114.3 | E1052 V1056 | E1052-Q1054 PolarHBondContact O-N 2.94Å; Q1054-V1056 PolarHBondContact O-N 3.14Å |
| 1055 | D | 70.9 | Confident | 84.3 | Confident | 83 Ų | 83 | 46.1 Ų | 46.1 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.9 | -179.2 | -88.8 | 1.1 | 0 | 0 | 0 | 112.9 | H1010 E1053 K1057 | H1010-D1055 WeakPolarHBondContact NE2-CB 3.35Å; H1010-D1055 IonicContact NE2-OD2 2.73Å; H1010-D1055 PolarHBondContact NE2-OD2 2.83Å; E1053-D1055 PolarHBondContact O-N 3.32Å; D1055-K1057 PolarHBondContact O-N 3.23Å |
| 1056 | V | 80 | Confident | 84.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -72.1 | 121 | -167.4 | 174 | 0 | 0 | 0 | 0 | 111.6 | L1013 L1050 E1053 Q1054 L1058 L1060 K1061 | L1013-V1056 HydrophobicContact CD1-CG2 4.41Å; L1050-V1056 HydrophobicContact CD2-CG1 3.91Å; L1050-V1056 HydrophobicContact CD2-CG2 4.33Å; L1050-V1056 HydrophobicContact CG-CG2 4.12Å; L1050-V1056 WeakPolarHBondContact O-CG1 3.48Å; E1053-V1056 HydrophobicContact CB-CB 4.42Å; E1053-V1056 HydrophobicContact CB-CG2 3.67Å; E1053-V1056 PolarHBondContact O-N 2.74Å; Q1054-V1056 PolarHBondContact O-N 3.14Å; V1056-L1058 PolarHBondContact O-N 3.18Å; V1056-L1060 HydrophobicContact CG1-CB 3.72Å; V1056-L1060 HydrophobicContact CG1-CD1 3.98Å; V1056-L1060 HydrophobicContact CG1-CG 4.44Å; V1056-K1061 HydrophobicContact CG1-CG 4.06Å; V1056-K1061 WeakPolarHBondContact O-CE 3.32Å |
| 1057 | K | 77.6 | Confident | 84.3 | Confident | 99 Ų | 99 | 46 Ų | 46 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | trans | -51.8 | 136.7 | -178.7 | -65.8 | -178.5 | 177.2 | 177.6 | 0 | 112 | D1055 N1059 L1060 K1061 | D1055-K1057 PolarHBondContact O-N 3.23Å; K1057-N1059 VanDerWaalsContact CB-OD1 3.31Å; K1057-N1059 WeakPolarHBondContact CB-OD1 3.15Å; K1057-N1059 PolarHBondContact O-N 3.14Å; K1057-L1060 HydrophobicContact CB-CD1 4.42Å; K1057-L1060 HydrophobicContact CB-CG 4.45Å; K1057-L1060 WeakPolarHBondContact O-CB 3.38Å; K1057-L1060 PolarHBondContact O-N 3Å; K1057-K1061 PolarHBondContact O-N 3.14Å | ||
| 1058 | L | 79.5 | Confident | 84.1 | Confident | 127 Ų | 127 | 46 Ų | 46 | 67% | 0.665 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -52.3 | -30.6 | -177.3 | -175 | 64.9 | 0 | 0 | 0 | 114.2 | V1056 L1060 K1061 F1062 | V1056-L1058 PolarHBondContact O-N 3.18Å; L1058-L1060 VanDerWaalsContact C-N 3.28Å; L1058-L1060 PolarHBondContact O-N 3.04Å; L1058-K1061 PolarHBondContact O-N 3.35Å; L1058-F1062 WeakPolarHBondContact O-CB 3.29Å; L1058-F1062 PolarHBondContact O-N 2.91Å |
| 1059 | N | 81.8 | Confident | 84 | Confident | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -74.2 | -13.7 | 177.6 | 70.9 | -25.2 | 0 | 0 | 0 | 114.4 | K1057 | K1057-N1059 VanDerWaalsContact CB-OD1 3.31Å; K1057-N1059 WeakPolarHBondContact CB-OD1 3.15Å; K1057-N1059 PolarHBondContact O-N 3.14Å |
| 1060 | L | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -88.5 | -45.4 | 170.5 | -55.9 | 176.2 | 0 | 0 | 0 | 110.2 | L1013 L1014 V1017 V1056 K1057 L1058 F1062 E1063 V1064 | L1013-L1060 HydrophobicContact CB-CD1 3.73Å; L1014-L1060 HydrophobicContact CD2-CD2 4.02Å; L1014-L1060 HydrophobicContact CG-CD2 4.42Å; V1017-L1060 HydrophobicContact CB-CD2 4.2Å; V1017-L1060 HydrophobicContact CG1-CB 4.45Å; V1056-L1060 HydrophobicContact CG1-CB 3.72Å; V1056-L1060 HydrophobicContact CG1-CD1 3.98Å; V1056-L1060 HydrophobicContact CG1-CG 4.44Å; K1057-L1060 HydrophobicContact CB-CD1 4.42Å; K1057-L1060 HydrophobicContact CB-CG 4.45Å; K1057-L1060 WeakPolarHBondContact O-CB 3.38Å; K1057-L1060 PolarHBondContact O-N 3Å; L1058-L1060 VanDerWaalsContact C-N 3.28Å; L1058-L1060 PolarHBondContact O-N 3.04Å; L1060-F1062 PolarHBondContact O-N 3.32Å; L1060-E1063 PolarHBondContact O-N 3.13Å; L1060-V1064 PolarHBondContact O-N 2.69Å |
| 1061 | K | 87.6 | Confident | 83.7 | Confident | 32 Ų | 32 | 52 Ų | 52 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -51.9 | -45.2 | 170.2 | -58.9 | -160.1 | 176.9 | -151.9 | 0 | 110.6 | H1051 E1052 E1053 V1056 K1057 L1058 E1063 V1064 E1065 | H1051-K1061 PolarHBondContact CD2-O 3.16Å; H1051-K1061 VanDerWaalsContact CD2-O 3.3Å; H1051-K1061 WeakPolarHBondContact O-CD 3.2Å; H1051-K1061 WeakPolarHBondContact O-CE 3.43Å; H1051-K1061 PolarHBondContact O-NZ 3.09Å; E1052-K1061 PolarHBondContact O-NZ 3.14Å; E1053-K1061 WeakPolarHBondContact O-CE 3.36Å; E1053-K1061 PolarHBondContact O-NZ 3.28Å; V1056-K1061 HydrophobicContact CG1-CG 4.06Å; V1056-K1061 WeakPolarHBondContact O-CE 3.32Å; K1057-K1061 PolarHBondContact O-N 3.14Å; L1058-K1061 PolarHBondContact O-N 3.35Å; K1061-E1063 PolarHBondContact O-N 3.2Å; K1061-V1064 PolarHBondContact O-N 2.89Å; K1061-E1065 WeakPolarHBondContact O-CG 3.35Å; K1061-E1065 PolarHBondContact O-N 2.87Å |
| 1062 | F | 85.7 | Confident | 83.5 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 176.2 | -171.5 | -99.8 | 0 | 0 | 0 | 114.8 | K352 L1058 L1060 E1065 V1066 | K352-F1062 HydrophobicContact CG-CE2 4.31Å; K352-F1062 WeakPolarHBondContact O-CE2 3.3Å; K352-F1062 VanDerWaalsContact O-CZ 3.26Å; K352-F1062 WeakPolarHBondContact O-CZ 3.39Å; L1058-F1062 WeakPolarHBondContact O-CB 3.29Å; L1058-F1062 PolarHBondContact O-N 2.91Å; L1060-F1062 PolarHBondContact O-N 3.32Å; F1062-E1065 PolarHBondContact O-N 2.56Å; F1062-V1066 HydrophobicContact CD1-CG2 4Å; F1062-V1066 HydrophobicContact CE1-CG2 3.61Å; F1062-V1066 HydrophobicContact CE2-CG2 4.43Å; F1062-V1066 HydrophobicContact CZ-CG2 3.86Å; F1062-V1066 WeakPolarHBondContact O-CB 3.3Å; F1062-V1066 VanDerWaalsContact O-CG2 3.26Å; F1062-V1066 WeakPolarHBondContact O-CG2 3.14Å; F1062-V1066 PolarHBondContact O-N 3.36Å |
| 1063 | E | 87.4 | Confident | 83.4 | Confident | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.3 | -31.5 | 174.1 | -67.5 | -125.8 | -139.9 | 0 | 0 | 111.7 | K974 L1060 K1061 L1067 | K974-E1063 IonicContact NZ-OE1 2.97Å; K974-E1063 PolarHBondContact NZ-OE1 3.18Å; K974-E1063 IonicContact NZ-OE2 2.72Å; K974-E1063 PolarHBondContact NZ-OE2 3.38Å; L1060-E1063 PolarHBondContact O-N 3.13Å; K1061-E1063 PolarHBondContact O-N 3.2Å; E1063-L1067 PolarHBondContact O-N 3.25Å; E1063-L1067 VanDerWaalsContact O-N 3.1Å |
| 1064 | V | 89.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 169.8 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | V1017 L1047 H1051 L1060 K1061 V1066 L1067 C1068 | V1017-V1064 HydrophobicContact CG1-CG2 3.85Å; L1047-V1064 HydrophobicContact CB-CG1 4.26Å; L1047-V1064 HydrophobicContact CB-CG2 4.37Å; L1047-V1064 HydrophobicContact CD2-CG2 4.22Å; L1047-V1064 WeakPolarHBondContact O-CG1 3.39Å; H1051-V1064 HydrophobicContact CB-CB 4.44Å; H1051-V1064 HydrophobicContact CB-CG1 4.08Å; L1060-V1064 PolarHBondContact O-N 2.69Å; K1061-V1064 PolarHBondContact O-N 2.89Å; V1064-V1066 PolarHBondContact O-N 3.41Å; V1064-L1067 WeakPolarHBondContact O-CB 3.43Å; V1064-L1067 PolarHBondContact O-N 3.5Å; V1064-C1068 PolarHBondContact O-N 2.88Å; V1064-C1068 PolarHBondContact O-SG 3.47Å |
| 1065 | E | 87.5 | Confident | 83.6 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 16% | 0.164 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.7 | -69 | 168.8 | -151.7 | 0 | 0 | 111.8 | H1051 K1061 F1062 L1067 C1068 R1069 V1075 | H1051-E1065 IonicContact CD2-OE1 3.56Å; H1051-E1065 IonicContact CE1-OE1 3.78Å; H1051-E1065 VanDerWaalsContact NE2-CG 3.3Å; H1051-E1065 WeakPolarHBondContact NE2-CG 3.39Å; H1051-E1065 IonicContact NE2-OE1 2.77Å; H1051-E1065 PolarHBondContact NE2-OE1 3.42Å; K1061-E1065 WeakPolarHBondContact O-CG 3.35Å; K1061-E1065 PolarHBondContact O-N 2.87Å; F1062-E1065 PolarHBondContact O-N 2.56Å; E1065-L1067 VanDerWaalsContact C-N 3.31Å; E1065-L1067 PolarHBondContact O-N 2.87Å; E1065-C1068 PolarHBondContact O-N 3.29Å; E1065-R1069 VanDerWaalsContact O-CB 3.31Å; E1065-R1069 WeakPolarHBondContact O-CB 3.35Å; E1065-R1069 WeakPolarHBondContact O-CG 3.3Å; E1065-R1069 PolarHBondContact O-N 2.9Å; E1065-R1069 IonicContact OE2-CZ 2.78Å; E1065-R1069 IonicContact OE2-NH2 3.29Å; E1065-R1069 PolarHBondContact OE2-NH2 3.43Å; E1065-V1075 HydrophobicContact CG-CG2 4.28Å |
| 1066 | V | 87.6 | Confident | 83.6 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.8 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | F1062 V1064 R1069 L1070 | F1062-V1066 HydrophobicContact CD1-CG2 4Å; F1062-V1066 HydrophobicContact CE1-CG2 3.61Å; F1062-V1066 HydrophobicContact CE2-CG2 4.43Å; F1062-V1066 HydrophobicContact CZ-CG2 3.86Å; F1062-V1066 WeakPolarHBondContact O-CB 3.3Å; F1062-V1066 VanDerWaalsContact O-CG2 3.26Å; F1062-V1066 WeakPolarHBondContact O-CG2 3.14Å; F1062-V1066 PolarHBondContact O-N 3.36Å; V1064-V1066 PolarHBondContact O-N 3.41Å; V1066-R1069 VanDerWaalsContact CG2-NH1 3.35Å; V1066-L1070 WeakPolarHBondContact O-CB 3.41Å; V1066-L1070 PolarHBondContact O-N 3.38Å |
| 1067 | L | 89.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 172.9 | 173.1 | 67.5 | 0 | 0 | 0 | 111.9 | A1021 M1024 E1025 L1044 L1047 E1063 V1064 E1065 R1069 L1070 L1071 | A1021-L1067 HydrophobicContact CB-CB 4.36Å; A1021-L1067 HydrophobicContact CB-CD2 4.28Å; M1024-L1067 HydrophobicContact CB-CD1 3.74Å; M1024-L1067 HydrophobicContact CB-CD2 3.81Å; M1024-L1067 HydrophobicContact CB-CG 4.4Å; M1024-L1067 HydrophobicContact CG-CD2 4.5Å; E1025-L1067 HydrophobicContact CG-CD1 4.08Å; L1044-L1067 HydrophobicContact CD2-CD2 3.81Å; L1044-L1067 HydrophobicContact CD2-CG 4.37Å; L1047-L1067 HydrophobicContact CD1-CD2 3.68Å; E1063-L1067 PolarHBondContact O-N 3.25Å; E1063-L1067 VanDerWaalsContact O-N 3.1Å; V1064-L1067 WeakPolarHBondContact O-CB 3.43Å; V1064-L1067 PolarHBondContact O-N 3.5Å; E1065-L1067 VanDerWaalsContact C-N 3.31Å; E1065-L1067 PolarHBondContact O-N 2.87Å; L1067-R1069 VanDerWaalsContact C-N 3.34Å; L1067-R1069 PolarHBondContact O-N 3.47Å; L1067-L1070 WeakPolarHBondContact O-CB 3.34Å; L1067-L1070 PolarHBondContact O-N 3.18Å; L1067-L1070 VanDerWaalsContact O-N 3.15Å; L1067-L1071 HydrophobicContact CD1-CD1 3.8Å; L1067-L1071 HydrophobicContact CD1-CG 4.13Å; L1067-L1071 HydrophobicContact CG-CD1 4.05Å; L1067-L1071 WeakPolarHBondContact O-CG 3.13Å; L1067-L1071 PolarHBondContact O-N 3.16Å |
| 1068 | C | 87.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | -175.2 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | V1064 E1065 L1070 L1071 N1072 I1073 V1075 | V1064-C1068 PolarHBondContact O-N 2.88Å; V1064-C1068 PolarHBondContact O-SG 3.47Å; E1065-C1068 PolarHBondContact O-N 3.29Å; C1068-L1070 PolarHBondContact O-N 2.95Å; C1068-L1071 CarbonylContact O-C 3.58Å; C1068-L1071 PolarHBondContact O-N 2.92Å; C1068-L1071 VanDerWaalsContact O-N 3.16Å; C1068-N1072 PolarHBondContact O-N 2.65Å; C1068-N1072 VanDerWaalsContact O-N 3.09Å; C1068-I1073 CarbonylContact C-O 3.55Å; C1068-I1073 HydrophobicContact CB-CB 4.08Å; C1068-I1073 HydrophobicContact CB-CG2 4.3Å; C1068-I1073 PolarHBondContact O-N 3.35Å; C1068-V1075 HydrophobicContact CB-CG2 3.48Å; C1068-V1075 VanDerWaalsContact CB-CG2 3.48Å |
| 1069 | R | 85.6 | Confident | 82.5 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 170.8 | -69.3 | -178.2 | -118.4 | 126.2 | -11 | 111.5 | E353 E1065 V1066 L1067 L1071 N1072 | E353-R1069 WeakPolarHBondContact OE2-CD 3.31Å; E1065-R1069 VanDerWaalsContact O-CB 3.31Å; E1065-R1069 WeakPolarHBondContact O-CB 3.35Å; E1065-R1069 WeakPolarHBondContact O-CG 3.3Å; E1065-R1069 PolarHBondContact O-N 2.9Å; E1065-R1069 IonicContact OE2-CZ 2.78Å; E1065-R1069 IonicContact OE2-NH2 3.29Å; E1065-R1069 PolarHBondContact OE2-NH2 3.43Å; V1066-R1069 VanDerWaalsContact CG2-NH1 3.35Å; L1067-R1069 VanDerWaalsContact C-N 3.34Å; L1067-R1069 PolarHBondContact O-N 3.47Å; R1069-L1071 VanDerWaalsContact C-N 3.28Å; R1069-L1071 PolarHBondContact O-N 3.39Å; R1069-N1072 PolarHBondContact O-N 3.06Å; R1069-N1072 VanDerWaalsContact O-N 3.11Å |
| 1070 | L | 84.8 | Confident | 82 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 43% | 0.429 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -32.4 | 175.8 | -172.6 | 72.3 | 0 | 0 | 0 | 113.3 | E1025 V1066 L1067 C1068 | E1025-L1070 HydrophobicContact CB-CD2 3.74Å; E1025-L1070 HydrophobicContact CG-CD2 3.55Å; V1066-L1070 WeakPolarHBondContact O-CB 3.41Å; V1066-L1070 PolarHBondContact O-N 3.38Å; L1067-L1070 WeakPolarHBondContact O-CB 3.34Å; L1067-L1070 PolarHBondContact O-N 3.18Å; L1067-L1070 VanDerWaalsContact O-N 3.15Å; C1068-L1070 PolarHBondContact O-N 2.95Å |
| 1071 | L | 84.8 | Confident | 81.3 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 2 | 177.7 | -63.4 | 178.3 | 0 | 0 | 0 | 113.6 | C1027 H1028 K1035 L1044 L1067 C1068 R1069 I1073 | C1027-L1071 HydrophobicContact CB-CD2 4.01Å; H1028-L1071 HydrophobicContact CB-CD2 3.99Å; K1035-L1071 VanDerWaalsContact CD-O 3.31Å; K1035-L1071 WeakPolarHBondContact CD-O 3.42Å; K1035-L1071 PolarHBondContact NZ-O 3.33Å; L1044-L1071 HydrophobicContact CD1-CD1 4.04Å; L1044-L1071 HydrophobicContact CD2-CD1 3.65Å; L1044-L1071 HydrophobicContact CG-CD1 4.47Å; L1067-L1071 HydrophobicContact CD1-CD1 3.8Å; L1067-L1071 HydrophobicContact CD1-CG 4.13Å; L1067-L1071 HydrophobicContact CG-CD1 4.05Å; L1067-L1071 WeakPolarHBondContact O-CG 3.13Å; L1067-L1071 PolarHBondContact O-N 3.16Å; C1068-L1071 CarbonylContact O-C 3.58Å; C1068-L1071 PolarHBondContact O-N 2.92Å; C1068-L1071 VanDerWaalsContact O-N 3.16Å; R1069-L1071 VanDerWaalsContact C-N 3.28Å; R1069-L1071 PolarHBondContact O-N 3.39Å; L1071-I1073 HydrophobicContact CB-CD1 3.9Å; L1071-I1073 HydrophobicContact CB-CG1 4.12Å; L1071-I1073 HydrophobicContact CD1-CD1 4.34Å |
| 1072 | N | 83.7 | Confident | 80.7 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 56.7 | -169.8 | -74.5 | -43.8 | 0 | 0 | 0 | 112.1 | K1035 C1068 R1069 | K1035-N1072 PolarHBondContact NZ-O 3.1Å; C1068-N1072 PolarHBondContact O-N 2.65Å; C1068-N1072 VanDerWaalsContact O-N 3.09Å; R1069-N1072 PolarHBondContact O-N 3.06Å; R1069-N1072 VanDerWaalsContact O-N 3.11Å |
| 1073 | I | 81.6 | Confident | 80.4 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | trans | -125 | 131.9 | 175.4 | -63 | 173.9 | 0 | 0 | 0 | 107.8 | K1035 L1044 C1068 L1071 F1078 | K1035-I1073 HydrophobicContact CB-CD1 4.3Å; K1035-I1073 HydrophobicContact CD-CD1 4.15Å; K1035-I1073 HydrophobicContact CD-CG1 3.95Å; L1044-I1073 HydrophobicContact CD1-CD1 3.67Å; C1068-I1073 CarbonylContact C-O 3.55Å; C1068-I1073 HydrophobicContact CB-CB 4.08Å; C1068-I1073 HydrophobicContact CB-CG2 4.3Å; C1068-I1073 PolarHBondContact O-N 3.35Å; L1071-I1073 HydrophobicContact CB-CD1 3.9Å; L1071-I1073 HydrophobicContact CB-CG1 4.12Å; L1071-I1073 HydrophobicContact CD1-CD1 4.34Å; I1073-F1078 HydrophobicContact CD1-CE2 4.2Å; I1073-F1078 HydrophobicContact CG2-CB 4.11Å; I1073-F1078 HydrophobicContact CG2-CD2 3.4Å; I1073-F1078 HydrophobicContact CG2-CE2 3.88Å; I1073-F1078 HydrophobicContact CG2-CG 3.85Å | ||
| 1074 | D | 79.2 | Confident | 80 | Confident | 76 Ų | 76 | 42 Ų | 42 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | trans | -88.6 | 117 | 172.7 | -160.6 | -36.2 | 0 | 0 | 0 | 109.5 | Q317 V1076 G1077 F1078 | Q317-D1074 PolarHBondContact NE2-OD2 2.92Å; D1074-V1076 PolarHBondContact O-N 3.32Å; D1074-V1076 PolarHBondContact OD1-N 3.03Å; D1074-G1077 PolarHBondContact O-N 3.35Å; D1074-F1078 PolarHBondContact O-N 3.46Å | ||
| 1075 | V | 78.3 | Confident | 79.3 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -62.9 | -30.3 | -179.2 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | H1051 E1065 C1068 G1077 | H1051-V1075 HydrophobicContact CB-CG1 4.09Å; E1065-V1075 HydrophobicContact CG-CG2 4.28Å; C1068-V1075 HydrophobicContact CB-CG2 3.48Å; C1068-V1075 VanDerWaalsContact CB-CG2 3.48Å; V1075-G1077 PolarHBondContact O-N 2.93Å |
| 1076 | V | 70.9 | Confident | 78.5 | Confident | 139 Ų | 139 | 42.1 Ų | 42.1 | 84% | 0.842 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -80.7 | 0.1 | -172.9 | -165.7 | 0 | 0 | 0 | 0 | 112.3 | D1074 | D1074-V1076 PolarHBondContact O-N 3.32Å; D1074-V1076 PolarHBondContact OD1-N 3.03Å |
| 1077 | G | 66.4 | Low | 77.5 | Confident | 70 Ų | 70 | 40.1 Ų | 40.1 | 72% | 0.722 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -146.1 | 17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1074 V1075 | D1074-G1077 PolarHBondContact O-N 3.35Å; V1075-G1077 PolarHBondContact O-N 2.93Å |
| 1078 | F | 77.6 | Confident | 76.5 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | trans | -87.1 | 125.8 | 176.6 | -166.6 | -107.2 | 0 | 0 | 0 | 110.1 | M1041 L1044 Q1045 C1048 I1073 D1074 T1080 | M1041-F1078 HydrophobicContact CE-CE1 4.3Å; M1041-F1078 HydrophobicContact CE-CE2 3.93Å; M1041-F1078 HydrophobicContact CE-CZ 3.52Å; M1041-F1078 HydrophobicContact SD-CE2 3.97Å; M1041-F1078 HydrophobicContact SD-CZ 3.61Å; L1044-F1078 HydrophobicContact CB-CE1 3.83Å; L1044-F1078 HydrophobicContact CB-CZ 3.89Å; Q1045-F1078 HydrophobicContact CB-CE1 4.44Å; Q1045-F1078 HydrophobicContact CG-CD1 4.45Å; Q1045-F1078 HydrophobicContact CG-CE1 3.69Å; Q1045-F1078 HydrophobicContact CG-CZ 4.37Å; C1048-F1078 HydrophobicContact CB-CD1 4.07Å; I1073-F1078 HydrophobicContact CD1-CE2 4.2Å; I1073-F1078 HydrophobicContact CG2-CB 4.11Å; I1073-F1078 HydrophobicContact CG2-CD2 3.4Å; I1073-F1078 HydrophobicContact CG2-CE2 3.88Å; I1073-F1078 HydrophobicContact CG2-CG 3.85Å; D1074-F1078 PolarHBondContact O-N 3.46Å; F1078-T1080 PolarHBondContact O-N 2.94Å | ||
| 1079 | S | 70.1 | Confident | 75.9 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 56% | 0.559 | 26% | 0.261 | S | S | * | . | trans | -64.4 | 98.9 | -178.4 | 56 | 0 | 0 | 0 | 0 | 111.6 | Q1045 | Q1045-S1079 WeakPolarHBondContact CG-O 3.46Å; Q1045-S1079 PolarHBondContact NE2-O 3.35Å | ||
| 1080 | T | 72 | Confident | 75.2 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | trans | -67.5 | 159 | -178.6 | 37 | 0 | 0 | 0 | 0 | 112.7 | C1048 E1049 E1052 F1078 | C1048-T1080 VanDerWaalsContact C-CG2 3.47Å; C1048-T1080 HydrophobicContact CB-CG2 3.48Å; C1048-T1080 VanDerWaalsContact CB-CG2 3.48Å; E1049-T1080 HydrophobicContact CB-CG2 4.27Å; E1049-T1080 VanDerWaalsContact N-CG2 3.29Å; E1052-T1080 WeakPolarHBondContact OE2-CB 3.5Å; E1052-T1080 VanDerWaalsContact OE2-CG2 3.24Å; E1052-T1080 WeakPolarHBondContact OE2-CG2 3.41Å; E1052-T1080 PolarHBondContact OE2-OG1 3.45Å; F1078-T1080 PolarHBondContact O-N 2.94Å | ||
| 1081 | G | 71.1 | Confident | 74.5 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | -87.6 | -164.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1049 | E1049-G1081 VanDerWaalsContact OE2-C 3.28Š| ||
| 1082 | N | 75 | Confident | 73.8 | Confident | 81 Ų | 81 | 38.6 Ų | 38.6 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -128.9 | 27 | 167.4 | -108.8 | -18.7 | 0 | 0 | 0 | 109.3 | E1049 H1085 D1086 L1392 | E1049-N1082 VanDerWaalsContact OE1-CA 3.26Å; E1049-N1082 WeakPolarHBondContact OE1-CA 3.35Å; E1049-N1082 PolarHBondContact OE2-N 3.26Å; N1082-H1085 CarbonylContact O-C 3.33Å; N1082-H1085 PolarHBondContact O-N 2.69Å; N1082-D1086 PolarHBondContact O-N 2.81Å; N1082-D1086 VanDerWaalsContact O-N 3.08Å; N1082-L1392 HydrophobicContact CB-CD1 3.77Å; N1082-L1392 HydrophobicContact CB-CD2 3.64Å; N1082-L1392 HydrophobicContact CB-CG 4.33Å; N1082-L1392 VanDerWaalsContact CG-CD2 3.41Å |
| 1083 | D | 79.3 | Confident | 73.3 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -24.9 | -167 | -74.6 | -36.4 | 0 | 0 | 0 | 113 | K999 V1003 L1046 E1049 H1085 | K999-D1083 VanDerWaalsContact CE-OD1 3.3Å; K999-D1083 WeakPolarHBondContact CE-OD1 2.98Å; K999-D1083 VanDerWaalsContact CE-OD2 3.29Å; K999-D1083 WeakPolarHBondContact CE-OD2 2.94Å; K999-D1083 IonicContact NZ-OD1 3.53Å; K999-D1083 PolarHBondContact NZ-OD1 2.68Å; K999-D1083 IonicContact NZ-OD2 2.69Å; K999-D1083 PolarHBondContact NZ-OD2 3.03Å; V1003-D1083 VanDerWaalsContact CG2-O 3.25Å; V1003-D1083 WeakPolarHBondContact CG2-O 3.48Å; L1046-D1083 HydrophobicContact CB-CB 4.46Å; L1046-D1083 HydrophobicContact CD1-CB 3.45Å; L1046-D1083 VanDerWaalsContact CD1-CB 3.45Å; E1049-D1083 VanDerWaalsContact CD-N 3.33Å; E1049-D1083 PolarHBondContact OE1-N 3.46Å; E1049-D1083 PolarHBondContact OE2-N 3.26Å; D1083-H1085 PolarHBondContact O-N 2.72Å |
| 1084 | L | 80.2 | Confident | 72.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -23.8 | 168.9 | -70.8 | 178.1 | 0 | 0 | 0 | 111.4 | F1006 L1046 E1049 L1050 E1053 M1090 | F1006-L1084 HydrophobicContact CB-CD2 3.88Å; F1006-L1084 HydrophobicContact CD1-CB 3.9Å; F1006-L1084 HydrophobicContact CD1-CD2 3.89Å; F1006-L1084 HydrophobicContact CD1-CG 4.34Å; F1006-L1084 HydrophobicContact CD2-CD1 4.12Å; F1006-L1084 HydrophobicContact CD2-CD2 4.1Å; F1006-L1084 HydrophobicContact CE1-CB 3.65Å; F1006-L1084 HydrophobicContact CE1-CD1 4.27Å; F1006-L1084 HydrophobicContact CE1-CD2 4.39Å; F1006-L1084 HydrophobicContact CE1-CG 4.35Å; F1006-L1084 HydrophobicContact CE2-CD1 3.84Å; F1006-L1084 HydrophobicContact CG-CD1 4.44Å; F1006-L1084 HydrophobicContact CG-CD2 3.73Å; F1006-L1084 HydrophobicContact CG-CG 4.48Å; F1006-L1084 HydrophobicContact CZ-CB 4.06Å; F1006-L1084 HydrophobicContact CZ-CD1 3.91Å; F1006-L1084 HydrophobicContact CZ-CG 4.48Å; L1046-L1084 HydrophobicContact CD1-CB 4.31Å; L1046-L1084 HydrophobicContact CD1-CD2 3.54Å; L1046-L1084 HydrophobicContact CD1-CG 3.65Å; L1046-L1084 VanDerWaalsContact CD1-N 3.34Å; L1046-L1084 HydrophobicContact CG-CD2 4.14Å; L1046-L1084 HydrophobicContact CG-CG 4.48Å; E1049-L1084 HydrophobicContact CB-CD1 4.04Å; E1049-L1084 HydrophobicContact CB-CG 4.32Å; E1049-L1084 HydrophobicContact CG-CB 4.39Å; E1049-L1084 HydrophobicContact CG-CD1 3.93Å; E1049-L1084 HydrophobicContact CG-CG 4.14Å; E1049-L1084 VanDerWaalsContact OE1-CB 3.24Å; E1049-L1084 WeakPolarHBondContact OE1-CB 3Å; E1049-L1084 PolarHBondContact OE1-N 2.74Å; E1049-L1084 PolarHBondContact OE2-N 3.22Å; L1050-L1084 HydrophobicContact CB-CD1 3.82Å; L1050-L1084 HydrophobicContact CD1-CD1 4.07Å; L1050-L1084 HydrophobicContact CD1-CD2 3.73Å; L1050-L1084 HydrophobicContact CG-CD1 4.27Å; E1053-L1084 HydrophobicContact CG-CD1 3.84Å; L1084-M1090 WeakPolarHBondContact O-CE 3.26Å |
| 1085 | H | 73 | Confident | 72.1 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 11% | 0.111 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -115.2 | 6.8 | -169.7 | -59.3 | -67 | 0 | 0 | 0 | 113.4 | F1006 E1049 E1053 N1082 D1083 P1087 A1115 L1392 | F1006-H1085 AromaticContact CE1-CE1 3.84Å; F1006-H1085 AromaticContact CE1-ND1 3.91Å; F1006-H1085 AromaticContact CZ-CE1 3.62Å; E1049-H1085 IonicContact OE1-CD2 2.67Å; E1049-H1085 PolarHBondContact OE1-CD2 3.34Å; E1053-H1085 IonicContact OE1-CE1 3.63Å; E1053-H1085 PolarHBondContact OE1-CE1 3.06Å; E1053-H1085 IonicContact OE1-NE2 3.34Å; E1053-H1085 PolarHBondContact OE1-NE2 2.88Å; N1082-H1085 CarbonylContact O-C 3.33Å; N1082-H1085 PolarHBondContact O-N 2.69Å; D1083-H1085 PolarHBondContact O-N 2.72Å; H1085-P1087 WeakPolarHBondContact O-CD 3.33Å; H1085-A1115 VanDerWaalsContact CA-CB 3.45Å; H1085-A1115 HydrophobicContact CB-CB 3.53Å; H1085-A1115 WeakPolarHBondContact ND1-CA 3.34Å; H1085-A1115 WeakPolarHBondContact ND1-CB 3.46Å; H1085-L1392 HydrophobicContact CB-CD2 3.41Å; H1085-L1392 VanDerWaalsContact CB-CD2 3.41Å |
| 1086 | D | 72 | Confident | 71.8 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | trans | -90 | 104.6 | 175.4 | 175.8 | -15.7 | 0 | 0 | 0 | 112.2 | N1082 D1088 V1089 M1090 N1388 S1391 | N1082-D1086 PolarHBondContact O-N 2.81Å; N1082-D1086 VanDerWaalsContact O-N 3.08Å; D1086-D1088 PolarHBondContact O-N 3.12Å; D1086-D1088 WeakPolarHBondContact OD1-CA 3.18Å; D1086-D1088 PolarHBondContact OD1-N 2.84Å; D1086-V1089 HydrophobicContact CB-CB 4.21Å; D1086-V1089 HydrophobicContact CB-CG2 4Å; D1086-V1089 CarbonylContact O-C 3.4Å; D1086-V1089 VanDerWaalsContact O-CA 3.29Å; D1086-V1089 WeakPolarHBondContact O-CA 3.09Å; D1086-V1089 VanDerWaalsContact O-CB 3.28Å; D1086-V1089 WeakPolarHBondContact O-CB 3.33Å; D1086-V1089 PolarHBondContact O-N 2.88Å; D1086-V1089 PolarHBondContact OD1-N 2.67Å; D1086-V1089 VanDerWaalsContact OD1-N 3.17Å; D1086-V1089 WeakPolarHBondContact OD2-CG2 3.39Å; D1086-M1090 PolarHBondContact O-N 3.01Å; D1086-N1388 PolarHBondContact OD1-ND2 2.93Å; D1086-N1388 WeakPolarHBondContact OD2-CB 3.42Å; D1086-N1388 PolarHBondContact OD2-ND2 2.72Å; D1086-S1391 WeakPolarHBondContact CA-OG 3.29Å; D1086-S1391 PolarHBondContact OD1-OG 2.76Å | ||
| 1087 | P | 64.9 | Low | 72 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -18.8 | 170.1 | -9.7 | -8.2 | 0 | 0 | 0 | 119.7 | H1085 V1089 A1091 L1112 H1117 V1119 S1391 | H1085-P1087 WeakPolarHBondContact O-CD 3.33Å; P1087-V1089 VanDerWaalsContact C-N 3.26Å; P1087-A1091 WeakPolarHBondContact O-CA 3.28Å; P1087-A1091 WeakPolarHBondContact O-CB 3.31Å; P1087-A1091 PolarHBondContact O-N 3.02Å; P1087-L1112 HydrophobicContact CB-CD1 3.8Å; P1087-L1112 HydrophobicContact CB-CD2 3.55Å; P1087-L1112 HydrophobicContact CB-CG 4.31Å; P1087-L1112 VanDerWaalsContact CD-CD2 3.44Å; P1087-L1112 HydrophobicContact CG-CD1 4.34Å; P1087-L1112 HydrophobicContact CG-CD2 3.37Å; P1087-L1112 HydrophobicContact CG-CG 4.43Å; P1087-H1117 HydrophobicContact CB-CB 4.15Å; P1087-H1117 HydrophobicContact CG-CB 3.37Å; P1087-V1119 HydrophobicContact CB-CG2 3.69Å; P1087-S1391 WeakPolarHBondContact CD-O 3.35Å; P1087-S1391 WeakPolarHBondContact CD-OG 3.47Å; P1087-S1391 VanDerWaalsContact CG-CB 3.48Å; P1087-S1391 WeakPolarHBondContact CG-O 3.24Å; P1087-S1391 WeakPolarHBondContact CG-OG 3.48Å |
| 1088 | D | 69.9 | Low | 72.9 | Confident | 59 Ų | 59 | 35.8 Ų | 35.8 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -74.6 | -26.9 | 166.6 | -106.3 | -55.1 | 0 | 0 | 0 | 110.2 | D1086 A1092 K1095 N1388 | D1086-D1088 PolarHBondContact O-N 3.12Å; D1086-D1088 WeakPolarHBondContact OD1-CA 3.18Å; D1086-D1088 PolarHBondContact OD1-N 2.84Å; D1088-A1092 WeakPolarHBondContact O-CB 3.36Å; D1088-A1092 PolarHBondContact O-N 3.3Å; D1088-A1092 VanDerWaalsContact O-N 3.13Å; D1088-K1095 IonicContact OD1-NZ 3.44Å; D1088-N1388 HydrophobicContact CB-CB 4.39Å; D1088-N1388 VanDerWaalsContact CB-CG 3.48Å; D1088-N1388 VanDerWaalsContact CB-ND2 3.28Å; D1088-N1388 WeakPolarHBondContact CB-ND2 3.43Å |
| 1089 | V | 73.3 | Confident | 73.1 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.085 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.2 | -41.7 | 164.4 | -172.2 | 0 | 0 | 0 | 0 | 112 | K999 V1000 V1003 D1086 P1087 A1092 C1093 | K999-V1089 HydrophobicContact CG-CG1 4.05Å; V1000-V1089 HydrophobicContact CG2-CG1 4.44Å; V1003-V1089 HydrophobicContact CB-CG1 4.31Å; V1003-V1089 HydrophobicContact CG1-CG1 4.46Å; V1003-V1089 HydrophobicContact CG2-CG1 3.77Å; D1086-V1089 HydrophobicContact CB-CB 4.21Å; D1086-V1089 HydrophobicContact CB-CG2 4Å; D1086-V1089 CarbonylContact O-C 3.4Å; D1086-V1089 VanDerWaalsContact O-CA 3.29Å; D1086-V1089 WeakPolarHBondContact O-CA 3.09Å; D1086-V1089 VanDerWaalsContact O-CB 3.28Å; D1086-V1089 WeakPolarHBondContact O-CB 3.33Å; D1086-V1089 PolarHBondContact O-N 2.88Å; D1086-V1089 PolarHBondContact OD1-N 2.67Å; D1086-V1089 VanDerWaalsContact OD1-N 3.17Å; D1086-V1089 WeakPolarHBondContact OD2-CG2 3.39Å; P1087-V1089 VanDerWaalsContact C-N 3.26Å; V1089-A1092 WeakPolarHBondContact O-CA 3.35Å; V1089-A1092 VanDerWaalsContact O-CB 3.27Å; V1089-A1092 WeakPolarHBondContact O-CB 3.43Å; V1089-A1092 PolarHBondContact O-N 3.42Å; V1089-A1092 VanDerWaalsContact O-N 3.09Å; V1089-C1093 PolarHBondContact O-N 3.42Å; V1089-C1093 PolarHBondContact O-SG 3.41Å |
| 1090 | M | 72.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.4 | -35.5 | 175.5 | -54 | -149.7 | -169.9 | 0 | 0 | 112.8 | V1003 V1007 L1084 D1086 A1092 C1093 L1094 V1108 K1111 L1112 A1115 | V1003-M1090 HydrophobicContact CG1-CB 4.24Å; V1003-M1090 HydrophobicContact CG1-CG 3.62Å; V1003-M1090 HydrophobicContact CG1-SD 4.49Å; V1007-M1090 HydrophobicContact CG2-CE 4.33Å; V1007-M1090 HydrophobicContact CG2-CG 4.25Å; V1007-M1090 HydrophobicContact CG2-SD 3.4Å; V1007-M1090 WeakPolarHBondContact CG2-SD 3.37Å; L1084-M1090 WeakPolarHBondContact O-CE 3.26Å; D1086-M1090 PolarHBondContact O-N 3.01Å; M1090-A1092 PolarHBondContact O-N 2.61Å; M1090-C1093 WeakPolarHBondContact O-CA 3.31Å; M1090-C1093 WeakPolarHBondContact O-CB 3.1Å; M1090-C1093 PolarHBondContact O-N 2.9Å; M1090-L1094 PolarHBondContact O-N 2.91Å; M1090-V1108 HydrophobicContact CB-CG1 3.82Å; M1090-K1111 HydrophobicContact CE-CB 3.68Å; M1090-K1111 HydrophobicContact SD-CB 3.93Å; M1090-L1112 HydrophobicContact CB-CD2 4.11Å; M1090-L1112 HydrophobicContact CB-CG 4.48Å; M1090-L1112 HydrophobicContact CE-CD2 3.68Å; M1090-L1112 HydrophobicContact CG-CD2 3.73Å; M1090-L1112 HydrophobicContact CG-CG 4.46Å; M1090-L1112 HydrophobicContact SD-CD2 3.28Å; M1090-L1112 WeakPolarHBondContact SD-CD2 3.49Å; M1090-L1112 HydrophobicContact SD-CG 3.71Å; M1090-A1115 HydrophobicContact CE-CB 3.46Å; M1090-A1115 VanDerWaalsContact CE-CB 3.46Å |
| 1091 | A | 68.6 | Low | 72.1 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.2 | -22.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1087 C1093 L1094 K1095 | P1087-A1091 WeakPolarHBondContact O-CA 3.28Å; P1087-A1091 WeakPolarHBondContact O-CB 3.31Å; P1087-A1091 PolarHBondContact O-N 3.02Å; A1091-C1093 VanDerWaalsContact C-N 3.3Å; A1091-L1094 PolarHBondContact O-N 3.14Å; A1091-K1095 WeakPolarHBondContact O-CD 3.32Å; A1091-K1095 WeakPolarHBondContact O-CG 3.22Å; A1091-K1095 PolarHBondContact O-N 2.66Å |
| 1092 | A | 71.3 | Confident | 71.1 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -30.8 | 165 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1000 D1088 V1089 M1090 L1094 K1095 N1096 | V1000-A1092 HydrophobicContact CG1-CB 4.49Å; V1000-A1092 HydrophobicContact CG2-CB 3.76Å; D1088-A1092 WeakPolarHBondContact O-CB 3.36Å; D1088-A1092 PolarHBondContact O-N 3.3Å; D1088-A1092 VanDerWaalsContact O-N 3.13Å; V1089-A1092 WeakPolarHBondContact O-CA 3.35Å; V1089-A1092 VanDerWaalsContact O-CB 3.27Å; V1089-A1092 WeakPolarHBondContact O-CB 3.43Å; V1089-A1092 PolarHBondContact O-N 3.42Å; V1089-A1092 VanDerWaalsContact O-N 3.09Å; M1090-A1092 PolarHBondContact O-N 2.61Å; A1092-L1094 VanDerWaalsContact C-N 3.32Å; A1092-L1094 PolarHBondContact O-N 2.85Å; A1092-K1095 PolarHBondContact O-N 3.38Å; A1092-N1096 PolarHBondContact O-N 3.25Å; A1092-N1096 VanDerWaalsContact O-N 3.1Å |
| 1093 | C | 71.8 | Confident | 69.9 | Low | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 168.7 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | V1000 E1004 V1089 M1090 A1091 N1096 P1097 F1104 | V1000-C1093 VanDerWaalsContact CG1-CA 3.5Å; V1000-C1093 HydrophobicContact CG1-CB 4.1Å; V1000-C1093 PolarHBondContact O-SG 3.26Å; E1004-C1093 HydrophobicContact CB-CB 4.02Å; E1004-C1093 HydrophobicContact CG-CB 4.09Å; V1089-C1093 PolarHBondContact O-N 3.42Å; V1089-C1093 PolarHBondContact O-SG 3.41Å; M1090-C1093 WeakPolarHBondContact O-CA 3.31Å; M1090-C1093 WeakPolarHBondContact O-CB 3.1Å; M1090-C1093 PolarHBondContact O-N 2.9Å; A1091-C1093 VanDerWaalsContact C-N 3.3Å; C1093-N1096 CarbonylContact O-C 3.54Å; C1093-P1097 WeakPolarHBondContact O-CA 3.41Å; C1093-P1097 VanDerWaalsContact O-N 3.15Å; C1093-F1104 HydrophobicContact CB-CE2 4.12Å; C1093-F1104 HydrophobicContact CB-CZ 4.3Å |
| 1094 | L | 66.6 | Low | 69.1 | Low | 52 Ų | 52 | 31.8 Ų | 31.8 | 27% | 0.272 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 176 | -58.3 | -174.6 | 0 | 0 | 0 | 112.7 | M1090 A1091 A1092 N1096 F1104 E1105 V1108 | M1090-L1094 PolarHBondContact O-N 2.91Å; A1091-L1094 PolarHBondContact O-N 3.14Å; A1092-L1094 VanDerWaalsContact C-N 3.32Å; A1092-L1094 PolarHBondContact O-N 2.85Å; L1094-N1096 VanDerWaalsContact C-N 3.32Å; L1094-N1096 PolarHBondContact O-N 3.39Å; L1094-F1104 HydrophobicContact CD2-CE2 4.01Å; L1094-F1104 HydrophobicContact CD2-CZ 3.93Å; L1094-E1105 HydrophobicContact CD2-CB 4.31Å; L1094-E1105 HydrophobicContact CD2-CG 3.77Å; L1094-V1108 HydrophobicContact CD1-CB 4.22Å; L1094-V1108 HydrophobicContact CD1-CG1 3.94Å; L1094-V1108 HydrophobicContact CD2-CB 3.9Å; L1094-V1108 HydrophobicContact CD2-CG1 4.4Å; L1094-V1108 HydrophobicContact CD2-CG2 3.53Å; L1094-V1108 HydrophobicContact CG-CB 4.18Å; L1094-V1108 HydrophobicContact CG-CG1 4.13Å; L1094-V1108 HydrophobicContact CG-CG2 3.98Å |
| 1095 | K | 70.1 | Confident | 68.1 | Low | 131 Ų | 131 | 34.2 Ų | 34.2 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -67.5 | -27.9 | 178.4 | -67.9 | 159.8 | -163.1 | 161.7 | 0 | 112.8 | D1088 A1091 A1092 | D1088-K1095 IonicContact OD1-NZ 3.44Å; A1091-K1095 WeakPolarHBondContact O-CD 3.32Å; A1091-K1095 WeakPolarHBondContact O-CG 3.22Å; A1091-K1095 PolarHBondContact O-N 2.66Å; A1092-K1095 PolarHBondContact O-N 3.38Å |
| 1096 | N | 70.6 | Confident | 67.2 | Low | 67 Ų | 67 | 35.3 Ų | 35.3 | 36% | 0.358 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -152.5 | 77.2 | -179.6 | -174.9 | 39.1 | 0 | 0 | 0 | 112.1 | A1092 C1093 L1094 | A1092-N1096 PolarHBondContact O-N 3.25Å; A1092-N1096 VanDerWaalsContact O-N 3.1Å; C1093-N1096 CarbonylContact O-C 3.54Å; L1094-N1096 VanDerWaalsContact C-N 3.32Å; L1094-N1096 PolarHBondContact O-N 3.39Å |
| 1097 | P | 75.8 | Confident | 66.8 | Low | 60 Ų | 60 | 37.6 Ų | 37.6 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | trans | -73.7 | 136.3 | -176.2 | 29.5 | -35.9 | 0 | 0 | 0 | 112.8 | C1093 F1104 | C1093-P1097 WeakPolarHBondContact O-CA 3.41Å; C1093-P1097 VanDerWaalsContact O-N 3.15Å; P1097-F1104 HydrophobicContact CB-CE1 3.52Å; P1097-F1104 HydrophobicContact CB-CZ 3.78Å; P1097-F1104 HydrophobicContact CG-CE1 4.39Å | ||
| 1098 | Q | 85.9 | Confident | 66.7 | Low | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | trans | -113.6 | -17.8 | -170.9 | -63.1 | 176.5 | 93.6 | 0 | 0 | 113.1 | L958 D997 L1001 E1004 | L958-Q1098 WeakPolarHBondContact CB-O 3.47Å; D997-Q1098 PolarHBondContact O-NE2 2.93Å; L1001-Q1098 HydrophobicContact CD1-CB 3.53Å; L1001-Q1098 HydrophobicContact CD1-CG 4.48Å; E1004-Q1098 PolarHBondContact OE1-N 3.32Å; E1004-Q1098 WeakPolarHBondContact OE2-CB 3.44Å; E1004-Q1098 PolarHBondContact OE2-N 3.48Å | ||
| 1099 | L | 80.8 | Confident | 65.8 | Low | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -98.1 | 11.5 | -176.2 | -65.8 | 168.6 | 0 | 0 | 0 | 115.3 | L958 L1001 E1004 A1005 E1012 V1016 | L958-L1099 HydrophobicContact CB-CD2 3.94Å; L958-L1099 HydrophobicContact CD2-CD2 3.75Å; L958-L1099 HydrophobicContact CG-CD2 4.38Å; L958-L1099 CarbonylContact O-C 3.41Å; L958-L1099 VanDerWaalsContact O-CA 3.31Å; L958-L1099 WeakPolarHBondContact O-CA 3.45Å; L958-L1099 VanDerWaalsContact O-O 3.05Å; L1001-L1099 HydrophobicContact CD1-CD1 4.36Å; L1001-L1099 HydrophobicContact CD1-CD2 3.82Å; L1001-L1099 HydrophobicContact CD1-CG 3.81Å; E1004-L1099 HydrophobicContact CB-CD1 4.02Å; E1004-L1099 HydrophobicContact CG-CD1 3.94Å; E1004-L1099 HydrophobicContact CG-CG 4.44Å; E1004-L1099 WeakPolarHBondContact OE1-CB 3.3Å; E1004-L1099 PolarHBondContact OE1-N 3.16Å; E1004-L1099 VanDerWaalsContact OE1-N 3.14Å; E1004-L1099 PolarHBondContact OE2-N 3.01Å; A1005-L1099 HydrophobicContact CB-CD1 3.9Å; E1012-L1099 HydrophobicContact CB-CD1 4.19Å; E1012-L1099 HydrophobicContact CG-CD1 4.34Å; E1012-L1099 WeakPolarHBondContact OE2-CD2 3.36Å; V1016-L1099 HydrophobicContact CG2-CD1 4.28Å; V1016-L1099 HydrophobicContact CG2-CD2 3.62Å |
| 1100 | G | 66.6 | Low | 65.1 | Low | 19 Ų | 19 | 34.3 Ų | 34.3 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | trans | 60 | -157.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1008 | R1008-G1100 PolarHBondContact NH1-O 3.09Å; R1008-G1100 PolarHBondContact NH2-O 3.29Å | ||
| 1101 | G | 55.8 | Low | 64.4 | Low | 73 Ų | 73 | 34.9 Ų | 34.9 | 75% | 0.753 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 66.7 | -178.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1102 | G | 50.5 | Low | 63.4 | Low | 61 Ų | 61 | 34.4 Ų | 34.4 | 63% | 0.629 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -75.8 | -173.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1104 | G1102-F1104 PolarHBondContact O-N 2.87Š|
| 1103 | S | 49.3 | Very low | 62.1 | Low | 29 Ų | 29 | 33.5 Ų | 33.5 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | trans | -53.4 | 90.5 | -175.6 | 174.9 | 0 | 0 | 0 | 0 | 113.7 | E1105 H1106 | S1103-E1105 VanDerWaalsContact CB-OE2 3.28Å; S1103-E1105 WeakPolarHBondContact CB-OE2 3.45Å; S1103-E1105 PolarHBondContact OG-OE2 3.47Å; S1103-H1106 PolarHBondContact O-ND1 3.04Å; S1103-H1106 PolarHBondContact OG-CE1 3.28Å; S1103-H1106 PolarHBondContact OG-ND1 3.19Å | ||
| 1104 | F | 61.5 | Low | 60.8 | Low | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 11 | 166 | 82.4 | -73.8 | 0 | 0 | 0 | 111.4 | E1004 V1007 R1008 C1093 L1094 P1097 G1102 H1106 L1107 V1108 | E1004-F1104 HydrophobicContact CG-CD2 4.26Å; E1004-F1104 HydrophobicContact CG-CE2 3.62Å; E1004-F1104 HydrophobicContact CG-CZ 3.94Å; V1007-F1104 HydrophobicContact CG1-CD2 3.84Å; V1007-F1104 HydrophobicContact CG1-CE2 4.25Å; R1008-F1104 HydrophobicContact CG-CB 4.1Å; R1008-F1104 HydrophobicContact CG-CD2 4.01Å; R1008-F1104 HydrophobicContact CG-CG 4.21Å; C1093-F1104 HydrophobicContact CB-CE2 4.12Å; C1093-F1104 HydrophobicContact CB-CZ 4.3Å; L1094-F1104 HydrophobicContact CD2-CE2 4.01Å; L1094-F1104 HydrophobicContact CD2-CZ 3.93Å; P1097-F1104 HydrophobicContact CB-CE1 3.52Å; P1097-F1104 HydrophobicContact CB-CZ 3.78Å; P1097-F1104 HydrophobicContact CG-CE1 4.39Å; G1102-F1104 PolarHBondContact O-N 2.87Å; F1104-H1106 PolarHBondContact O-N 3.12Å; F1104-L1107 VanDerWaalsContact C-N 3.34Å; F1104-L1107 HydrophobicContact CB-CB 4.13Å; F1104-L1107 HydrophobicContact CB-CD1 4.24Å; F1104-L1107 CarbonylContact O-C 3.51Å; F1104-L1107 VanDerWaalsContact O-CA 3.3Å; F1104-L1107 WeakPolarHBondContact O-CA 3.38Å; F1104-L1107 PolarHBondContact O-N 2.88Å; F1104-V1108 HydrophobicContact CD2-CG2 3.99Å; F1104-V1108 HydrophobicContact CE2-CG2 3.7Å; F1104-V1108 PolarHBondContact O-N 2.96Å |
| 1105 | E | 59.2 | Low | 59.6 | Low | 50 Ų | 50 | 35.6 Ų | 35.6 | 23% | 0.234 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.2 | -45.1 | 162.6 | -68.2 | 148.2 | 133.2 | 0 | 0 | 109.1 | L1094 S1103 L1107 V1108 A1109 P1121 | L1094-E1105 HydrophobicContact CD2-CB 4.31Å; L1094-E1105 HydrophobicContact CD2-CG 3.77Å; S1103-E1105 VanDerWaalsContact CB-OE2 3.28Å; S1103-E1105 WeakPolarHBondContact CB-OE2 3.45Å; S1103-E1105 PolarHBondContact OG-OE2 3.47Å; E1105-L1107 PolarHBondContact O-N 3.23Å; E1105-V1108 PolarHBondContact O-N 3.41Å; E1105-V1108 VanDerWaalsContact O-N 3.13Å; E1105-A1109 WeakPolarHBondContact O-CB 3.49Å; E1105-A1109 PolarHBondContact O-N 3.2Å; E1105-P1121 HydrophobicContact CB-CB 4.43Å |
| 1106 | H | 54.7 | Low | 57.9 | Low | 47 Ų | 47 | 29.3 Ų | 29.3 | 22% | 0.218 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -46.9 | -42.7 | 164.5 | -62.4 | 94 | 0 | 0 | 0 | 113.4 | S1103 F1104 A1109 A1110 V1403 | S1103-H1106 PolarHBondContact O-ND1 3.04Å; S1103-H1106 PolarHBondContact OG-CE1 3.28Å; S1103-H1106 PolarHBondContact OG-ND1 3.19Å; F1104-H1106 PolarHBondContact O-N 3.12Å; H1106-A1109 CarbonylContact O-C 3.58Å; H1106-A1109 VanDerWaalsContact O-C 3.24Å; H1106-A1110 WeakPolarHBondContact O-CB 3.46Å; H1106-A1110 PolarHBondContact O-N 3.09Å; H1106-V1403 WeakPolarHBondContact O-CG1 3.43Å |
| 1107 | L | 64.2 | Low | 56.2 | Low | 62 Ų | 62 | 27 Ų | 27 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -82.6 | -22 | -178.4 | -67.3 | 168.6 | 0 | 0 | 0 | 114 | V1007 R1008 F1104 E1105 A1110 K1111 | V1007-L1107 HydrophobicContact CG1-CB 4.03Å; V1007-L1107 WeakPolarHBondContact CG1-O 3.47Å; R1008-L1107 HydrophobicContact CB-CD1 4.42Å; R1008-L1107 HydrophobicContact CG-CD1 4.36Å; F1104-L1107 VanDerWaalsContact C-N 3.34Å; F1104-L1107 HydrophobicContact CB-CB 4.13Å; F1104-L1107 HydrophobicContact CB-CD1 4.24Å; F1104-L1107 CarbonylContact O-C 3.51Å; F1104-L1107 VanDerWaalsContact O-CA 3.3Å; F1104-L1107 WeakPolarHBondContact O-CA 3.38Å; F1104-L1107 PolarHBondContact O-N 2.88Å; E1105-L1107 PolarHBondContact O-N 3.23Å; L1107-A1110 VanDerWaalsContact CA-CB 3.47Å; L1107-A1110 HydrophobicContact CB-CB 4.48Å; L1107-A1110 HydrophobicContact CD2-CB 4.2Å; L1107-A1110 CarbonylContact O-C 3.19Å; L1107-A1110 WeakPolarHBondContact O-CA 3.3Å; L1107-A1110 WeakPolarHBondContact O-CB 3.32Å; L1107-A1110 PolarHBondContact O-N 3.25Å; L1107-K1111 PolarHBondContact O-N 3.22Å |
| 1108 | V | 62.1 | Low | 53.9 | Low | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.1 | -53.8 | 167.1 | 169.7 | 0 | 0 | 0 | 0 | 109.2 | V1007 M1090 L1094 F1104 E1105 A1110 K1111 L1112 | V1007-V1108 HydrophobicContact CG1-CB 4.39Å; V1007-V1108 HydrophobicContact CG1-CG2 3.54Å; V1007-V1108 HydrophobicContact CG2-CG2 4.16Å; M1090-V1108 HydrophobicContact CB-CG1 3.82Å; L1094-V1108 HydrophobicContact CD1-CB 4.22Å; L1094-V1108 HydrophobicContact CD1-CG1 3.94Å; L1094-V1108 HydrophobicContact CD2-CB 3.9Å; L1094-V1108 HydrophobicContact CD2-CG1 4.4Å; L1094-V1108 HydrophobicContact CD2-CG2 3.53Å; L1094-V1108 HydrophobicContact CG-CB 4.18Å; L1094-V1108 HydrophobicContact CG-CG1 4.13Å; L1094-V1108 HydrophobicContact CG-CG2 3.98Å; F1104-V1108 HydrophobicContact CD2-CG2 3.99Å; F1104-V1108 HydrophobicContact CE2-CG2 3.7Å; F1104-V1108 PolarHBondContact O-N 2.96Å; E1105-V1108 PolarHBondContact O-N 3.41Å; E1105-V1108 VanDerWaalsContact O-N 3.13Å; V1108-A1110 CarbonylContact O-C 3.22Å; V1108-A1110 VanDerWaalsContact O-C 3.3Å; V1108-A1110 PolarHBondContact O-N 2.98Å; V1108-K1111 PolarHBondContact O-N 3.26Å; V1108-L1112 HydrophobicContact CG1-CD1 3.59Å; V1108-L1112 HydrophobicContact CG1-CG 4.03Å; V1108-L1112 VanDerWaalsContact O-CB 3.27Å; V1108-L1112 WeakPolarHBondContact O-CB 3.31Å; V1108-L1112 WeakPolarHBondContact O-CG 3.14Å; V1108-L1112 PolarHBondContact O-N 3.19Å |
| 1109 | A | 51.7 | Low | 51.2 | Low | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.5 | -0.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1105 H1106 P1121 A1396 V1403 | E1105-A1109 WeakPolarHBondContact O-CB 3.49Å; E1105-A1109 PolarHBondContact O-N 3.2Å; H1106-A1109 CarbonylContact O-C 3.58Å; H1106-A1109 VanDerWaalsContact O-C 3.24Å; A1109-P1121 HydrophobicContact CB-CB 4Å; A1109-P1121 HydrophobicContact CB-CG 3.29Å; A1109-A1396 VanDerWaalsContact C-CB 3.42Å; A1109-A1396 WeakPolarHBondContact O-CB 3.48Å; A1109-V1403 WeakPolarHBondContact O-CG1 3.45Å |
| 1110 | A | 57.3 | Low | 48.7 | Very low | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -97.4 | -70.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H1106 L1107 V1108 L1112 C1113 K1397 V1403 | H1106-A1110 WeakPolarHBondContact O-CB 3.46Å; H1106-A1110 PolarHBondContact O-N 3.09Å; L1107-A1110 VanDerWaalsContact CA-CB 3.47Å; L1107-A1110 HydrophobicContact CB-CB 4.48Å; L1107-A1110 HydrophobicContact CD2-CB 4.2Å; L1107-A1110 CarbonylContact O-C 3.19Å; L1107-A1110 WeakPolarHBondContact O-CA 3.3Å; L1107-A1110 WeakPolarHBondContact O-CB 3.32Å; L1107-A1110 PolarHBondContact O-N 3.25Å; V1108-A1110 CarbonylContact O-C 3.22Å; V1108-A1110 VanDerWaalsContact O-C 3.3Å; V1108-A1110 PolarHBondContact O-N 2.98Å; A1110-L1112 PolarHBondContact O-N 3.36Å; A1110-C1113 PolarHBondContact O-N 3.3Å; A1110-K1397 HydrophobicContact CB-CD 3.83Å; A1110-K1397 HydrophobicContact CB-CG 3.53Å; A1110-K1397 WeakPolarHBondContact O-CA 3.4Å; A1110-K1397 WeakPolarHBondContact O-CB 3.47Å; A1110-K1397 WeakPolarHBondContact O-CG 3.35Å; A1110-K1397 PolarHBondContact O-N 3.47Å; A1110-V1403 VanDerWaalsContact CA-CG1 3.45Å; A1110-V1403 HydrophobicContact CB-CB 4.09Å; A1110-V1403 HydrophobicContact CB-CG1 3.47Å; A1110-V1403 VanDerWaalsContact CB-CG1 3.47Å; A1110-V1403 HydrophobicContact CB-CG2 3.44Å; A1110-V1403 VanDerWaalsContact CB-CG2 3.44Å |
| 1111 | K | 57.3 | Low | 46.8 | Very low | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.9 | -22.4 | -171.8 | -84.5 | -141.3 | 165.5 | -176.3 | 0 | 114.7 | F1006 V1007 M1090 L1107 V1108 C1113 R1114 A1115 K1397 | F1006-K1111 HydrophobicContact CD1-CD 3.35Å; F1006-K1111 HydrophobicContact CE1-CD 3.33Å; F1006-K1111 HydrophobicContact CG-CD 3.99Å; F1006-K1111 HydrophobicContact CZ-CD 3.97Å; F1006-K1111 VanDerWaalsContact O-CD 3.24Å; F1006-K1111 WeakPolarHBondContact O-CD 3.42Å; F1006-K1111 WeakPolarHBondContact O-CE 3.27Å; F1006-K1111 PolarHBondContact O-NZ 3.27Å; F1006-K1111 VanDerWaalsContact O-NZ 3.14Å; V1007-K1111 HydrophobicContact CG2-CB 4.19Å; M1090-K1111 HydrophobicContact CE-CB 3.68Å; M1090-K1111 HydrophobicContact SD-CB 3.93Å; L1107-K1111 PolarHBondContact O-N 3.22Å; V1108-K1111 PolarHBondContact O-N 3.26Å; K1111-C1113 VanDerWaalsContact C-N 3.29Å; K1111-C1113 CarbonylContact O-C 3.58Å; K1111-C1113 PolarHBondContact O-N 2.9Å; K1111-R1114 PolarHBondContact O-N 3.21Å; K1111-A1115 VanDerWaalsContact O-CB 3.26Å; K1111-A1115 WeakPolarHBondContact O-CB 3.24Å; K1111-A1115 PolarHBondContact O-N 2.84Å; K1111-K1397 HydrophobicContact CG-CD 4.08Å |
| 1112 | L | 48.2 | Very low | 45.4 | Very low | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | 18.9 | 173.6 | -62.7 | -172.6 | 0 | 0 | 0 | 119.4 | P1087 M1090 V1108 A1110 A1115 G1116 H1117 V1119 A1395 A1396 | P1087-L1112 HydrophobicContact CB-CD1 3.8Å; P1087-L1112 HydrophobicContact CB-CD2 3.55Å; P1087-L1112 HydrophobicContact CB-CG 4.31Å; P1087-L1112 VanDerWaalsContact CD-CD2 3.44Å; P1087-L1112 HydrophobicContact CG-CD1 4.34Å; P1087-L1112 HydrophobicContact CG-CD2 3.37Å; P1087-L1112 HydrophobicContact CG-CG 4.43Å; M1090-L1112 HydrophobicContact CB-CD2 4.11Å; M1090-L1112 HydrophobicContact CB-CG 4.48Å; M1090-L1112 HydrophobicContact CE-CD2 3.68Å; M1090-L1112 HydrophobicContact CG-CD2 3.73Å; M1090-L1112 HydrophobicContact CG-CG 4.46Å; M1090-L1112 HydrophobicContact SD-CD2 3.28Å; M1090-L1112 WeakPolarHBondContact SD-CD2 3.49Å; M1090-L1112 HydrophobicContact SD-CG 3.71Å; V1108-L1112 HydrophobicContact CG1-CD1 3.59Å; V1108-L1112 HydrophobicContact CG1-CG 4.03Å; V1108-L1112 VanDerWaalsContact O-CB 3.27Å; V1108-L1112 WeakPolarHBondContact O-CB 3.31Å; V1108-L1112 WeakPolarHBondContact O-CG 3.14Å; V1108-L1112 PolarHBondContact O-N 3.19Å; A1110-L1112 PolarHBondContact O-N 3.36Å; L1112-A1115 HydrophobicContact CD2-CB 4.48Å; L1112-G1116 CarbonylContact O-C 3.32Å; L1112-H1117 VanDerWaalsContact CB-O 3.23Å; L1112-H1117 WeakPolarHBondContact CB-O 3.26Å; L1112-H1117 CarbonylContact O-C 3.57Å; L1112-H1117 PolarHBondContact O-N 2.83Å; L1112-V1119 HydrophobicContact CD1-CB 4.12Å; L1112-A1395 CarbonylContact O-C 3.6Å; L1112-A1396 HydrophobicContact CB-CB 3.68Å; L1112-A1396 WeakPolarHBondContact O-CB 3.26Å; L1112-A1396 PolarHBondContact O-N 2.94Å |
| 1113 | C | 44.7 | Very low | 44.3 | Very low | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -103.5 | -51.9 | 140.2 | -54.2 | 0 | 0 | 0 | 0 | 108.6 | A1110 K1111 A1115 G1116 V1269 A1395 A1396 K1397 | A1110-C1113 PolarHBondContact O-N 3.3Å; K1111-C1113 VanDerWaalsContact C-N 3.29Å; K1111-C1113 CarbonylContact O-C 3.58Å; K1111-C1113 PolarHBondContact O-N 2.9Å; C1113-A1115 CarbonylContact O-C 3.58Å; C1113-A1115 PolarHBondContact O-N 2.89Å; C1113-G1116 WeakPolarHBondContact O-CA 3.29Å; C1113-V1269 HydrophobicContact CB-CG2 3.08Å; C1113-V1269 WeakPolarHBondContact O-CG2 3.47Å; C1113-A1395 HydrophobicContact CB-CB 4.27Å; C1113-A1395 WeakPolarHBondContact SG-CA 3.37Å; C1113-A1395 WeakPolarHBondContact SG-CB 3.23Å; C1113-A1396 VanDerWaalsContact CB-N 3.28Å; C1113-A1396 WeakPolarHBondContact SG-CA 3.25Å; C1113-A1396 PolarHBondContact SG-N 3.28Å; C1113-A1396 PolarHBondContact SG-O 3.35Å; C1113-K1397 WeakPolarHBondContact CB-O 3.42Å; C1113-K1397 VanDerWaalsContact N-N 3.12Å; C1113-K1397 PolarHBondContact SG-N 3.18Å; C1113-K1397 PolarHBondContact SG-O 3.5Å; C1113-K1397 VanDerWaalsContact SG-O 3.38Å |
| 1114 | R | 43.9 | Very low | 43.2 | Very low | 84 Ų | 84 | 34.6 Ų | 34.6 | 32% | 0.317 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -52 | -31.3 | -170.8 | -77.5 | -178 | -147.2 | 176.1 | 13.9 | 111.2 | K1111 V1269 K1397 P1399 | K1111-R1114 PolarHBondContact O-N 3.21Å; R1114-V1269 HydrophobicContact CG-CG1 4.37Å; R1114-K1397 HydrophobicContact CB-CB 4.38Å; R1114-K1397 HydrophobicContact CG-CB 3.79Å; R1114-K1397 WeakPolarHBondContact CG-O 3.4Å; R1114-P1399 HydrophobicContact CG-CG 4.35Å |
| 1115 | A | 41.4 | Very low | 41.5 | Very low | 11 Ų | 11 | 41.6 Ų | 41.6 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -100 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H1085 M1090 K1111 L1112 C1113 L1392 | H1085-A1115 VanDerWaalsContact CA-CB 3.45Å; H1085-A1115 HydrophobicContact CB-CB 3.53Å; H1085-A1115 WeakPolarHBondContact ND1-CA 3.34Å; H1085-A1115 WeakPolarHBondContact ND1-CB 3.46Å; M1090-A1115 HydrophobicContact CE-CB 3.46Å; M1090-A1115 VanDerWaalsContact CE-CB 3.46Å; K1111-A1115 VanDerWaalsContact O-CB 3.26Å; K1111-A1115 WeakPolarHBondContact O-CB 3.24Å; K1111-A1115 PolarHBondContact O-N 2.84Å; L1112-A1115 HydrophobicContact CD2-CB 4.48Å; C1113-A1115 CarbonylContact O-C 3.58Å; C1113-A1115 PolarHBondContact O-N 2.89Å; A1115-L1392 CarbonylContact O-C 3.56Å |
| 1116 | G | 35.5 | Very low | 39.9 | Very low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 160.3 | 86.9 | 143 | 0 | 0 | 0 | 0 | 0 | 118 | L1112 C1113 S1391 L1392 Y1393 T1394 | L1112-G1116 CarbonylContact O-C 3.32Å; C1113-G1116 WeakPolarHBondContact O-CA 3.29Å; G1116-S1391 CarbonylContact C-O 2.93Å; G1116-S1391 CarbonylContact O-C 2.83Å; G1116-L1392 CarbonylContact O-C 3.51Å; G1116-L1392 PolarHBondContact O-N 2.86Å; G1116-Y1393 CarbonylContact O-C 3.55Å; G1116-Y1393 PolarHBondContact O-N 2.75Å; G1116-T1394 CarbonylContact C-O 3.04Å; G1116-T1394 WeakPolarHBondContact CA-O 3.12Å; G1116-T1394 PolarHBondContact O-N 3.13Å |
| 1117 | H | 33.2 | Very low | 38.5 | Very low | 17 Ų | 17 | 52.3 Ų | 52.3 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -151.1 | 148 | 149.6 | -128.4 | 72.8 | 0 | 0 | 0 | 118.8 | P1087 L1112 V1119 H1390 S1391 T1394 | P1087-H1117 HydrophobicContact CB-CB 4.15Å; P1087-H1117 HydrophobicContact CG-CB 3.37Å; L1112-H1117 VanDerWaalsContact CB-O 3.23Å; L1112-H1117 WeakPolarHBondContact CB-O 3.26Å; L1112-H1117 CarbonylContact O-C 3.57Å; L1112-H1117 PolarHBondContact O-N 2.83Å; H1117-V1119 HydrophobicContact CB-CG2 4.33Å; H1117-V1119 PolarHBondContact O-N 3.43Å; H1117-H1390 VanDerWaalsContact CE1-C 3.44Å; H1117-H1390 AromaticContact CE1-CD2 3.14Å; H1117-H1390 PolarHBondContact CE1-CD2 3.43Å; H1117-H1390 AromaticContact CE1-CE1 3.88Å; H1117-H1390 AromaticContact CE1-CG 3.69Å; H1117-H1390 AromaticContact CE1-NE2 3.29Å; H1117-H1390 PolarHBondContact CE1-NE2 3.23Å; H1117-H1390 VanDerWaalsContact CE1-NE2 3.29Å; H1117-H1390 PolarHBondContact CE1-O 3.26Å; H1117-H1390 PolarHBondContact ND1-O 3.17Å; H1117-H1390 AromaticContact NE2-CD2 3.4Å; H1117-H1390 PolarHBondContact NE2-CD2 3.19Å; H1117-H1390 AromaticContact NE2-NE2 3.65Å; H1117-H1390 PolarHBondContact NE2-O 3Å; H1117-S1391 WeakPolarHBondContact ND1-CA 3.25Å; H1117-S1391 PolarHBondContact ND1-N 3.12Å; H1117-T1394 WeakPolarHBondContact CA-O 3.37Å; H1117-T1394 VanDerWaalsContact CA-OG1 3.29Å; H1117-T1394 WeakPolarHBondContact CA-OG1 3.47Å; H1117-T1394 PolarHBondContact CD2-OG1 3.16Å; H1117-T1394 WeakPolarHBondContact CE1-CG2 3.46Å; H1117-T1394 PolarHBondContact CE1-OG1 3.25Å; H1117-T1394 PolarHBondContact N-O 3.3Å; H1117-T1394 PolarHBondContact ND1-OG1 2.82Å; H1117-T1394 PolarHBondContact NE2-OG1 2.69Å | ||
| 1118 | H | 28.7 | Very low | 36.7 | Very low | 61 Ų | 61 | 58.1 Ų | 58.1 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | trans | -59.8 | 80.9 | 150.6 | -58.9 | -48.1 | 0 | 0 | 0 | 111.1 | N1265 T1394 A1395 F1409 | H1118-N1265 PolarHBondContact NE2-ND2 3.21Å; H1118-T1394 VanDerWaalsContact CD2-CB 3.44Å; H1118-T1394 WeakPolarHBondContact CD2-CB 3.23Å; H1118-T1394 PolarHBondContact CD2-OG1 2.92Å; H1118-T1394 PolarHBondContact N-OG1 3.47Å; H1118-A1395 PolarHBondContact CE1-N 3.39Å; H1118-A1395 VanDerWaalsContact CE1-N 3.25Å; H1118-A1395 PolarHBondContact CE1-O 3.24Å; H1118-A1395 PolarHBondContact ND1-N 2.9Å; H1118-A1395 PolarHBondContact ND1-O 2.97Å; H1118-A1395 PolarHBondContact NE2-N 3.21Å; H1118-F1409 AromaticContact CE1-CE1 3.95Å; H1118-F1409 AromaticContact ND1-CE1 3.5Å; H1118-F1409 WeakPolarHBondContact ND1-CE1 3.17Å | ||
| 1119 | V | 28.3 | Very low | 35.1 | Very low | 64 Ų | 64 | 63.7 Ų | 63.7 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | trans | -108.4 | 123.2 | 153.9 | -178 | 0 | 0 | 0 | 0 | 107.3 | P1087 L1112 H1117 | P1087-V1119 HydrophobicContact CB-CG2 3.69Å; L1112-V1119 HydrophobicContact CD1-CB 4.12Å; H1117-V1119 HydrophobicContact CB-CG2 4.33Å; H1117-V1119 PolarHBondContact O-N 3.43Å | ||
| 1120 | V | 28.3 | Very low | 34.2 | Very low | 73 Ų | 73 | 69.1 Ų | 69.1 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | trans | -81 | 138.5 | -163.1 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | F1409 Y1410 | V1120-F1409 HydrophobicContact CG1-CB 4.46Å; V1120-Y1410 HydrophobicContact CG1-CD1 4.11Å; V1120-Y1410 HydrophobicContact CG1-CE1 3.48Å; V1120-Y1410 VanDerWaalsContact CG1-CE1 3.48Å; V1120-Y1410 HydrophobicContact CG1-CE2 3.94Å | ||
| 1121 | P | 27 | Very low | 32.9 | Very low | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.013 | 42% | 0.417 | C | S | . | . | trans | -105 | 143.9 | -174.2 | 7 | 17.4 | 0 | 0 | 0 | 112.9 | E1105 A1109 A1406 F1409 | E1105-P1121 HydrophobicContact CB-CB 4.43Å; A1109-P1121 HydrophobicContact CB-CB 4Å; A1109-P1121 HydrophobicContact CB-CG 3.29Å; P1121-A1406 HydrophobicContact CB-CB 4.03Å; P1121-A1406 HydrophobicContact CG-CB 4.5Å; P1121-A1406 VanDerWaalsContact O-CA 3.29Å; P1121-A1406 WeakPolarHBondContact O-CA 3.38Å; P1121-A1406 WeakPolarHBondContact O-CB 3.19Å; P1121-F1409 HydrophobicContact CG-CD2 4.26Å | ||
| 1122 | P | 27.2 | Very low | 31.6 | Very low | 44 Ų | 44 | 79.9 Ų | 79.9 | 29% | 0.286 | 45% | 0.446 | S | S | . | . | trans | -89.7 | 174.6 | 167.9 | -11 | 30.7 | 0 | 0 | 0 | 114.1 | A1406 | P1122-A1406 WeakPolarHBondContact O-CB 3.29Š| ||
| 1123 | P | 27 | Very low | 31 | Very low | 48 Ų | 48 | 85.7 Ų | 85.7 | 31% | 0.312 | 48% | 0.484 | S | S | . | . | trans | -110.4 | 154.4 | -154.4 | 40.9 | -35.3 | 0 | 0 | 0 | 115.9 | A1406 D1478 | P1123-A1406 HydrophobicContact CB-CB 4.39Å; P1123-D1478 WeakPolarHBondContact CD-OD1 3.18Å; P1123-D1478 WeakPolarHBondContact CG-OD2 3.38Å | ||
| 1124 | Q | 26.2 | Very low | 30.2 | Very low | 127 Ų | 127 | 92.9 Ų | 92.9 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | trans | -144.8 | 102.3 | 156.8 | -76.5 | -158.6 | -29.6 | 0 | 0 | 112.8 | ||||
| 1125 | L | 25.8 | Very low | 29.5 | Very low | 161 Ų | 161 | 92.9 Ų | 92.9 | 84% | 0.843 | 55% | 0.554 | S | S | * | * | trans | 23.3 | 105.9 | 143.6 | -66.5 | 169.4 | 0 | 0 | 0 | 118.3 | ||||
| 1126 | V | 25.9 | Very low | 28.8 | Very low | 136 Ų | 136 | 96 Ų | 96 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | trans | -126.2 | 123.2 | 154.3 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1127 | M | 25.5 | Very low | 28.6 | Very low | 186 Ų | 186 | 104.9 Ų | 104.9 | 92% | 0.916 | 63% | 0.631 | S | S | * | * | trans | -97.9 | 119.8 | 168 | -82.7 | 174.3 | 53.3 | 0 | 0 | 109.8 | ||||
| 1128 | E | 24.9 | Very low | 28.5 | Very low | 184 Ų | 184 | 112.3 Ų | 112.3 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -140.8 | 143.8 | 154.9 | -127.5 | 177.6 | 176.2 | 0 | 0 | 109.4 | ||||
| 1129 | P | 28.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 113.6 Ų | 113.6 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | trans | -101.9 | -177.6 | -160.9 | 41.2 | -34.3 | 0 | 0 | 0 | 113.9 | ||||
| 1130 | P | 33.7 | Very low | 28.8 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | trans | -116.3 | -176.7 | -145.1 | 42.8 | -35.6 | 0 | 0 | 0 | 116 | ||||
| 1131 | I | 29.4 | Very low | 29 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | trans | 166.7 | 141 | 152 | -88.6 | 150.4 | 0 | 0 | 0 | 107.1 | ||||
| 1132 | G | 30.5 | Very low | 29.3 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | cis | -171.6 | -140.4 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1133 | P | 34.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | -137.2 | 158 | -98.6 | 39.6 | -25.8 | 0 | 0 | 0 | 117.8 | |||||
| 1134 | V | 28.3 | Very low | 29.7 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | trans | -145.2 | 109.1 | 160.6 | -172.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1135 | G | 28.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 81.9 | 123.1 | 143 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1136 | G | 27.9 | Very low | 30.5 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 148.3 | 57 | 152 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1137 | M | 31.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | 50.8 | 98.5 | 149.6 | -64.2 | 178.8 | 164.7 | 0 | 0 | 123.8 | ||||
| 1138 | M | 32 | Very low | 31.1 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | 55.1 | 157.3 | 112.7 | -61.9 | -82.5 | -84.9 | 0 | 0 | 123.5 | |||||
| 1139 | P | 34 | Very low | 31.3 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 57% | 0.571 | 80% | 0.799 | S | S | * | * | cis | -151.6 | 164.2 | -49.9 | 44 | -25.1 | 0 | 0 | 0 | 119.1 | ||||
| 1140 | I | 28.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 70.2 | 159.6 | 146 | -70.5 | 163.1 | 0 | 0 | 0 | 119.3 | ||||
| 1141 | P | 31.4 | Very low | 31 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | cis | -130.7 | -173.6 | -0.2 | 30.5 | -5.9 | 0 | 0 | 0 | 119 | ||||
| 1142 | M | 33.2 | Very low | 30.9 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | trans | -98.9 | 173.2 | 174.5 | -55.6 | -178.2 | -72 | 0 | 0 | 115.5 | ||||
| 1143 | P | 34.4 | Very low | 30.7 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | -156.3 | -174.4 | 99.7 | 41.3 | -20.7 | 0 | 0 | 0 | 118.4 | |||||
| 1144 | L | 29.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -115.1 | -153.7 | -174.7 | -42.2 | 82.9 | 0 | 0 | 0 | 112.4 | ||||
| 1145 | P | 33.9 | Very low | 30.2 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | cis | -133.8 | -100.9 | 18 | 27.1 | 3.3 | 0 | 0 | 0 | 121.7 | ||||
| 1146 | P | 33.6 | Very low | 30 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -138.3 | -170 | -130.1 | 43.9 | -22.2 | 0 | 0 | 0 | 121.4 | ||||
| 1147 | V | 34 | Very low | 29.9 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 91.1 | 125.3 | 167.7 | -169.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1148 | G | 31.2 | Very low | 29.6 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | 155.9 | 135.9 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1149 | G | 29.6 | Very low | 29.4 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 148 | 93.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1150 | V | 27.2 | Very low | 29 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | 71.1 | 103.5 | 140 | -173 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1151 | M | 26.9 | Very low | 28.9 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | 65.7 | 141.7 | 141 | -61.9 | -178.1 | -172.5 | 0 | 0 | 121.7 | ||||
| 1152 | M | 28 | Very low | 28.8 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | cis | -154.6 | 134.7 | -7.3 | -101.5 | -80.8 | -78 | 0 | 0 | 111.3 | ||||
| 1153 | V | 26.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | 45.9 | 109.6 | 155.7 | -171.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 1154 | G | 26.9 | Very low | 28.2 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | -159 | 153.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1155 | N | 25.1 | Very low | 28 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | trans | -55 | 151.2 | -170.5 | -57.4 | -7.7 | 0 | 0 | 0 | 115.9 | ||||
| 1156 | G | 25.9 | Very low | 27.7 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 159.5 | 87.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1157 | A | 25.6 | Very low | 27.4 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 59.9 | 140.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1158 | E | 25.2 | Very low | 27 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | 85.7 | 148.2 | 143.5 | -76.6 | 162 | -155 | 0 | 0 | 124 | ||||
| 1159 | E | 25.9 | Very low | 26.8 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | 67.1 | 108.4 | 174.5 | -58 | -160.6 | 136.6 | 0 | 0 | 122.2 | ||||
| 1160 | E | 25.5 | Very low | 26.7 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -152.5 | 142.7 | 153.1 | -160.5 | 166.5 | -143.6 | 0 | 0 | 112.8 | ||||
| 1161 | P | 28.3 | Very low | 26.5 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -99.3 | 173.5 | -175.8 | 38.8 | -35.8 | 0 | 0 | 0 | 115.6 | ||||
| 1162 | P | 29.1 | Very low | 26.5 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -100.5 | 156.1 | -148.7 | 37.6 | -37.6 | 0 | 0 | 0 | 117.9 | ||||
| 1163 | L | 26.7 | Very low | 26.4 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -169.3 | 141.4 | 159.2 | -104.7 | 157.6 | 0 | 0 | 0 | 114.4 | ||||
| 1164 | I | 28.6 | Very low | 26.5 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 69.4 | 116 | 158 | -53.9 | 161.8 | 0 | 0 | 0 | 119.5 | ||||
| 1165 | P | 25.3 | Very low | 26.4 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -103.6 | 133.9 | 172.1 | 36.4 | -30.2 | 0 | 0 | 0 | 114.7 | ||||
| 1166 | R | 26.1 | Very low | 26.9 | Very low | 243 Ų | 243 | 133 Ų | 133 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -149.5 | 161.4 | 167.7 | -82.9 | -158.2 | 166.6 | 157.5 | -1.8 | 113.5 | ||||
| 1167 | P | 28.6 | Very low | 27.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | trans | -116.7 | 155.8 | -152.1 | 40.5 | -32 | 0 | 0 | 0 | 116.8 | ||||
| 1168 | N | 24.9 | Very low | 28.9 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | 175.6 | 117.8 | 133.7 | -96.6 | -37.5 | 0 | 0 | 0 | 112.5 | ||||
| 1169 | A | 27 | Very low | 30.8 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 58% | 0.579 | 74% | 0.738 | S | S | * | * | trans | -152.2 | 116.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111 | V840 | V840-A1169 HydrophobicContact CB-CB 4.47Å; V840-A1169 HydrophobicContact CG1-CB 3.87Å | ||
| 1170 | L | 27.1 | Very low | 33.2 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | trans | -110 | 131.6 | 179.2 | -71.8 | 154.2 | 0 | 0 | 0 | 109.3 | ||||
| 1171 | G | 24 | Very low | 35.1 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | cis | -177 | 121.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1172 | V | 26.5 | Very low | 37.2 | Very low | 114 Ų | 114 | 112 Ų | 112 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | trans | -122.4 | 131.7 | -179.6 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | M1174 | V1172-M1174 HydrophobicContact CG1-CE 3.74Å; V1172-M1174 HydrophobicContact CG1-CG 4.45Å; V1172-M1174 PolarHBondContact O-N 2.88Å | ||
| 1173 | T | 26.8 | Very low | 39.2 | Very low | 148 Ų | 148 | 108.8 Ų | 108.8 | 91% | 0.908 | 61% | 0.607 | S | S | * | * | trans | -76.4 | 73 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1174 | M | 26.5 | Very low | 41.2 | Very low | 136 Ų | 136 | 107 Ų | 107 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 136.8 | 167.9 | -77.3 | -70.9 | 139.7 | 0 | 0 | 109.9 | V1172 | V1172-M1174 HydrophobicContact CG1-CE 3.74Å; V1172-M1174 HydrophobicContact CG1-CG 4.45Å; V1172-M1174 PolarHBondContact O-N 2.88Å |
| 1175 | S | 25.7 | Very low | 43.3 | Very low | 95 Ų | 95 | 100.1 Ų | 100.1 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -67 | 135.5 | 161 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | Q1177 | S1175-Q1177 PolarHBondContact O-N 3.26Š|
| 1176 | P | 36.2 | Very low | 45.6 | Very low | 81 Ų | 81 | 95.5 Ų | 95.5 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 130.1 | 173.7 | 24.7 | -33.1 | 0 | 0 | 0 | 109.6 | ||
| 1177 | Q | 38.1 | Very low | 47.8 | Very low | 170 Ų | 170 | 86.7 Ų | 86.7 | 79% | 0.794 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 131.1 | 169.6 | -70.6 | -176.5 | -9.3 | 0 | 0 | 107.8 | S1175 R1179 | S1175-Q1177 PolarHBondContact O-N 3.26Å; Q1177-R1179 PolarHBondContact O-N 3.14Å |
| 1178 | P | 54.6 | Low | 50.2 | Low | 54 Ų | 54 | 86.3 Ų | 86.3 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 123.2 | -172.9 | 29.8 | -36.6 | 0 | 0 | 0 | 110.9 | E1323 G1400 F1401 K1402 | P1178-E1323 VanDerWaalsContact CA-OE1 3.32Å; P1178-E1323 WeakPolarHBondContact CA-OE1 3.36Å; P1178-G1400 WeakPolarHBondContact CB-O 3.4Å; P1178-F1401 VanDerWaalsContact CB-C 3.49Å; P1178-K1402 VanDerWaalsContact O-CB 3.31Å; P1178-K1402 WeakPolarHBondContact O-CB 3.44Å |
| 1179 | R | 66 | Low | 53 | Low | 143 Ų | 143 | 80.8 Ų | 80.8 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | trans | -83.9 | -35.5 | -169.5 | -72.7 | 176.2 | 155.8 | -163.2 | -8.1 | 114 | Q1177 E1323 | Q1177-R1179 PolarHBondContact O-N 3.14Å; R1179-E1323 WeakPolarHBondContact CB-OE1 3.27Å; R1179-E1323 PolarHBondContact N-OE1 3.19Å | ||
| 1180 | F | 74.7 | Confident | 55.7 | Low | 30 Ų | 30 | 84 Ų | 84 | 13% | 0.132 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -111.9 | 129.3 | -167.5 | -48.9 | -78.9 | 0 | 0 | 0 | 111.9 | M1195 E1323 L1324 C1327 F1401 K1402 | F1180-M1195 HydrophobicContact CD1-CE 3.88Å; F1180-M1195 HydrophobicContact CE1-CE 4.23Å; F1180-E1323 HydrophobicContact CE2-CB 4.34Å; F1180-E1323 HydrophobicContact CE2-CG 4.39Å; F1180-L1324 HydrophobicContact CD1-CD1 3.91Å; F1180-L1324 HydrophobicContact CD2-CB 4.23Å; F1180-L1324 HydrophobicContact CD2-CD1 4.31Å; F1180-L1324 HydrophobicContact CE1-CB 4.32Å; F1180-L1324 HydrophobicContact CE1-CD1 3.87Å; F1180-L1324 HydrophobicContact CE1-CG 4.48Å; F1180-L1324 HydrophobicContact CE2-CB 3.59Å; F1180-L1324 HydrophobicContact CE2-CD1 4.29Å; F1180-L1324 HydrophobicContact CE2-CG 4.49Å; F1180-L1324 HydrophobicContact CG-CD1 4.14Å; F1180-L1324 HydrophobicContact CZ-CB 3.64Å; F1180-L1324 HydrophobicContact CZ-CD1 4.07Å; F1180-L1324 HydrophobicContact CZ-CG 4.27Å; F1180-C1327 HydrophobicContact CB-CB 4.44Å; F1180-F1401 CarbonylContact O-C 3.59Å; F1180-F1401 VanDerWaalsContact O-CA 3.28Å; F1180-F1401 WeakPolarHBondContact O-CA 3.46Å; F1180-F1401 WeakPolarHBondContact O-CB 3.39Å; F1180-K1402 PolarHBondContact O-N 3.06Å |
| 1181 | T | 66.3 | Low | 58.2 | Low | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.006 | 44% | 0.436 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 159.5 | 174.9 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | S1183 E1184 T1185 K1402 | T1181-S1183 VanDerWaalsContact C-N 3.29Å; T1181-S1183 PolarHBondContact O-N 2.7Å; T1181-S1183 PolarHBondContact OG1-OG 3.37Å; T1181-S1183 VanDerWaalsContact OG1-OG 3.14Å; T1181-E1184 WeakPolarHBondContact CB-OE2 3.47Å; T1181-E1184 VanDerWaalsContact CG2-OE2 3.27Å; T1181-E1184 WeakPolarHBondContact CG2-OE2 3.06Å; T1181-E1184 PolarHBondContact N-OE2 2.84Å; T1181-E1184 VanDerWaalsContact OG1-CB 3.29Å; T1181-E1184 WeakPolarHBondContact OG1-CB 3.45Å; T1181-E1184 WeakPolarHBondContact OG1-CG 3.31Å; T1181-E1184 PolarHBondContact OG1-N 3.48Å; T1181-E1184 VanDerWaalsContact OG1-N 3.16Å; T1181-E1184 PolarHBondContact OG1-OE2 3.32Å; T1181-T1185 WeakPolarHBondContact O-CB 3.27Å; T1181-T1185 PolarHBondContact O-N 3.17Å; T1181-T1185 VanDerWaalsContact O-N 3.1Å; T1181-T1185 PolarHBondContact O-OG1 3.06Å; T1181-K1402 HydrophobicContact CG2-CB 3.84Å; T1181-K1402 HydrophobicContact CG2-CD 4.01Å; T1181-K1402 HydrophobicContact CG2-CG 4.08Å |
| 1182 | Y | 73.3 | Confident | 61.1 | Low | 21 Ų | 21 | 73.9 Ų | 73.9 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.7 | 176.1 | -171.8 | -89.9 | 0 | 0 | 0 | 112.2 | K1331 A1334 E1335 V1398 F1401 | Y1182-K1331 HydrophobicContact CD2-CG 4.5Å; Y1182-K1331 HydrophobicContact CE1-CD 4.44Å; Y1182-K1331 HydrophobicContact CE1-CG 4.26Å; Y1182-K1331 HydrophobicContact CE2-CB 4.12Å; Y1182-K1331 HydrophobicContact CE2-CG 3.9Å; Y1182-K1331 WeakPolarHBondContact O-CD 3.13Å; Y1182-K1331 VanDerWaalsContact O-CE 3.24Å; Y1182-K1331 WeakPolarHBondContact O-CE 3.44Å; Y1182-K1331 PolarHBondContact O-NZ 2.94Å; Y1182-A1334 HydrophobicContact CE2-CB 4.19Å; Y1182-A1334 VanDerWaalsContact OH-CB 3.31Å; Y1182-A1334 WeakPolarHBondContact OH-CB 3.3Å; Y1182-E1335 WeakPolarHBondContact CE1-OE1 3.44Å; Y1182-E1335 VanDerWaalsContact CZ-OE1 3.25Å; Y1182-E1335 VanDerWaalsContact OH-CD 3.3Å; Y1182-E1335 PolarHBondContact OH-OE1 2.94Å; Y1182-V1398 HydrophobicContact CD2-CB 3.8Å; Y1182-V1398 HydrophobicContact CD2-CG1 3.68Å; Y1182-V1398 HydrophobicContact CD2-CG2 3.6Å; Y1182-V1398 HydrophobicContact CE2-CB 4.45Å; Y1182-V1398 HydrophobicContact CE2-CG1 3.92Å; Y1182-V1398 HydrophobicContact CE2-CG2 4.12Å; Y1182-V1398 HydrophobicContact CG-CB 4.38Å; Y1182-V1398 HydrophobicContact CG-CG2 3.87Å; Y1182-F1401 VanDerWaalsContact CA-CD1 3.45Å; Y1182-F1401 HydrophobicContact CD2-CD1 4.21Å; Y1182-F1401 AromaticContact CD2-CD2 3.77Å; Y1182-F1401 HydrophobicContact CD2-CD2 3.77Å; Y1182-F1401 AromaticContact CD2-CE1 3.96Å; Y1182-F1401 HydrophobicContact CD2-CE1 3.96Å; Y1182-F1401 AromaticContact CD2-CE2 3.51Å; Y1182-F1401 HydrophobicContact CD2-CE2 3.51Å; Y1182-F1401 HydrophobicContact CD2-CG 4.09Å; Y1182-F1401 AromaticContact CD2-CZ 3.58Å; Y1182-F1401 HydrophobicContact CD2-CZ 3.58Å; Y1182-F1401 HydrophobicContact CE2-CE2 4.03Å; Y1182-F1401 HydrophobicContact CE2-CZ 4.05Å |
| 1183 | S | 69.8 | Low | 64 | Low | 56 Ų | 56 | 69.5 Ų | 69.5 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -53.5 | 176.6 | 33.3 | 0 | 0 | 0 | 0 | 111.7 | T1181 T1185 K1331 | T1181-S1183 VanDerWaalsContact C-N 3.29Å; T1181-S1183 PolarHBondContact O-N 2.7Å; T1181-S1183 PolarHBondContact OG1-OG 3.37Å; T1181-S1183 VanDerWaalsContact OG1-OG 3.14Å; S1183-T1185 VanDerWaalsContact C-N 3.35Å; S1183-T1185 PolarHBondContact O-N 2.59Å; S1183-K1331 PolarHBondContact O-NZ 2.78Å; S1183-K1331 VanDerWaalsContact O-NZ 3.17Å |
| 1184 | E | 70 | Confident | 66.6 | Low | 122 Ų | 122 | 67 Ų | 67 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -31.5 | -176.4 | -66.7 | 162.8 | 140.2 | 0 | 0 | 113.6 | T1181 P1186 | T1181-E1184 WeakPolarHBondContact CB-OE2 3.47Å; T1181-E1184 VanDerWaalsContact CG2-OE2 3.27Å; T1181-E1184 WeakPolarHBondContact CG2-OE2 3.06Å; T1181-E1184 PolarHBondContact N-OE2 2.84Å; T1181-E1184 VanDerWaalsContact OG1-CB 3.29Å; T1181-E1184 WeakPolarHBondContact OG1-CB 3.45Å; T1181-E1184 WeakPolarHBondContact OG1-CG 3.31Å; T1181-E1184 PolarHBondContact OG1-N 3.48Å; T1181-E1184 VanDerWaalsContact OG1-N 3.16Å; T1181-E1184 PolarHBondContact OG1-OE2 3.32Å; E1184-P1186 WeakPolarHBondContact O-CD 3.35Å |
| 1185 | T | 71.2 | Confident | 69.3 | Low | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -63.7 | 126.3 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | T1181 S1183 C1327 K1331 F1401 | T1181-T1185 WeakPolarHBondContact O-CB 3.27Å; T1181-T1185 PolarHBondContact O-N 3.17Å; T1181-T1185 VanDerWaalsContact O-N 3.1Å; T1181-T1185 PolarHBondContact O-OG1 3.06Å; S1183-T1185 VanDerWaalsContact C-N 3.35Å; S1183-T1185 PolarHBondContact O-N 2.59Å; T1185-C1327 HydrophobicContact CG2-CB 3.9Å; T1185-K1331 WeakPolarHBondContact O-CD 3.46Å; T1185-K1331 WeakPolarHBondContact O-CE 3.32Å; T1185-K1331 PolarHBondContact O-NZ 3.36Å; T1185-F1401 HydrophobicContact CG2-CE1 4.11Å |
| 1186 | P | 75 | Confident | 72.1 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | trans | -73.4 | 149.6 | -178.4 | 27.1 | -32.9 | 0 | 0 | 0 | 112.2 | E1184 L1192 M1195 Y1328 | E1184-P1186 WeakPolarHBondContact O-CD 3.35Å; P1186-L1192 HydrophobicContact CG-CB 4.49Å; P1186-L1192 VanDerWaalsContact CG-N 3.31Å; P1186-M1195 VanDerWaalsContact CD-SD 3.54Å; P1186-M1195 HydrophobicContact CG-SD 4.09Å; P1186-Y1328 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1187 | V | 71.2 | Confident | 74.2 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 35% | 0.352 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -86.4 | -24.2 | 169.5 | -169 | 0 | 0 | 0 | 0 | 111.1 | Y1328 K1331 E1335 | V1187-Y1328 WeakPolarHBondContact O-CE2 3.22Å; V1187-K1331 HydrophobicContact CG2-CD 3.85Å; V1187-K1331 HydrophobicContact CG2-CG 4.13Å; V1187-E1335 HydrophobicContact CG2-CG 4.29Å |
| 1188 | D | 80.1 | Confident | 76.4 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -88 | 132.8 | 176.4 | 178.5 | 7.7 | 0 | 0 | 0 | 111.1 | H1190 G1191 L1192 | D1188-H1190 PolarHBondContact O-N 2.71Å; D1188-H1190 PolarHBondContact OD1-N 3.08Å; D1188-H1190 WeakPolarHBondContact OD2-CB 3.28Å; D1188-G1191 WeakPolarHBondContact O-CA 3.41Å; D1188-G1191 PolarHBondContact O-N 3.12Å; D1188-L1192 PolarHBondContact O-N 3.3Å; D1188-L1192 VanDerWaalsContact O-N 3.14Å |
| 1189 | I | 82.3 | Confident | 77.4 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -27.3 | 175.3 | -155.4 | 174.6 | 0 | 0 | 0 | 112.4 | G1191 L1192 F1193 E1220 L1223 Y1328 | I1189-G1191 VanDerWaalsContact C-N 3.31Å; I1189-G1191 PolarHBondContact O-N 3.2Å; I1189-L1192 HydrophobicContact CG1-CD2 4.4Å; I1189-L1192 WeakPolarHBondContact O-CB 3.16Å; I1189-L1192 PolarHBondContact O-N 2.8Å; I1189-F1193 HydrophobicContact CD1-CE2 4.03Å; I1189-F1193 HydrophobicContact CD1-CZ 3.71Å; I1189-F1193 HydrophobicContact CG1-CD2 4.38Å; I1189-F1193 HydrophobicContact CG1-CE1 4.26Å; I1189-F1193 HydrophobicContact CG1-CE2 3.77Å; I1189-F1193 HydrophobicContact CG1-CZ 3.7Å; I1189-F1193 HydrophobicContact CG2-CE2 4.23Å; I1189-F1193 WeakPolarHBondContact O-CD2 3.19Å; I1189-F1193 VanDerWaalsContact O-CG 3.28Å; I1189-F1193 WeakPolarHBondContact O-CG 3.2Å; I1189-F1193 PolarHBondContact O-N 3.22Å; I1189-E1220 HydrophobicContact CD1-CG 3.95Å; I1189-L1223 HydrophobicContact CD1-CD1 4.41Å; I1189-Y1328 HydrophobicContact CB-CE2 4.36Å; I1189-Y1328 WeakPolarHBondContact CB-OH 3.47Å |
| 1190 | H | 84.7 | Confident | 77.9 | Confident | 138 Ų | 138 | 53.2 Ų | 53.2 | 64% | 0.639 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 173 | -165.2 | 83.3 | 0 | 0 | 0 | 111.9 | D1188 F1193 S1194 | D1188-H1190 PolarHBondContact O-N 2.71Å; D1188-H1190 PolarHBondContact OD1-N 3.08Å; D1188-H1190 WeakPolarHBondContact OD2-CB 3.28Å; H1190-F1193 PolarHBondContact O-N 3.44Å; H1190-S1194 PolarHBondContact O-N 3.44Å |
| 1191 | G | 79.3 | Confident | 77.9 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1188 I1189 F1193 S1194 M1195 | D1188-G1191 WeakPolarHBondContact O-CA 3.41Å; D1188-G1191 PolarHBondContact O-N 3.12Å; I1189-G1191 VanDerWaalsContact C-N 3.31Å; I1189-G1191 PolarHBondContact O-N 3.2Å; G1191-F1193 VanDerWaalsContact C-N 3.26Å; G1191-F1193 PolarHBondContact O-N 3.46Å; G1191-S1194 PolarHBondContact O-N 2.91Å; G1191-S1194 PolarHBondContact O-OG 2.89Å; G1191-M1195 PolarHBondContact O-N 3.44Å |
| 1192 | L | 85.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.5 | -45.4 | 174.9 | 173.1 | 63.7 | 0 | 0 | 0 | 111 | P1186 D1188 I1189 S1194 M1195 L1196 L1223 L1324 Y1328 | P1186-L1192 HydrophobicContact CG-CB 4.49Å; P1186-L1192 VanDerWaalsContact CG-N 3.31Å; D1188-L1192 PolarHBondContact O-N 3.3Å; D1188-L1192 VanDerWaalsContact O-N 3.14Å; I1189-L1192 HydrophobicContact CG1-CD2 4.4Å; I1189-L1192 WeakPolarHBondContact O-CB 3.16Å; I1189-L1192 PolarHBondContact O-N 2.8Å; L1192-S1194 PolarHBondContact O-N 3.29Å; L1192-M1195 PolarHBondContact O-N 3.48Å; L1192-L1196 HydrophobicContact CD1-CD2 4.41Å; L1192-L1196 PolarHBondContact O-N 3Å; L1192-L1223 HydrophobicContact CD2-CD1 3.36Å; L1192-L1324 HydrophobicContact CD1-CD1 4.09Å; L1192-L1324 HydrophobicContact CD1-CD2 3.97Å; L1192-L1324 HydrophobicContact CD1-CG 3.57Å; L1192-Y1328 HydrophobicContact CB-CD2 3.97Å; L1192-Y1328 HydrophobicContact CB-CE2 4.4Å; L1192-Y1328 HydrophobicContact CB-CG 4.38Å; L1192-Y1328 HydrophobicContact CD2-CD1 3.95Å; L1192-Y1328 HydrophobicContact CD2-CD2 4.15Å; L1192-Y1328 HydrophobicContact CD2-CE1 4.49Å; L1192-Y1328 HydrophobicContact CD2-CG 3.77Å; L1192-Y1328 HydrophobicContact CG-CG 4.48Å |
| 1193 | F | 86.6 | Confident | 78.9 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 10% | 0.096 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.2 | -11 | 178.4 | -65.2 | -34 | 0 | 0 | 0 | 115.1 | I1189 H1190 G1191 L1196 R1216 E1220 | I1189-F1193 HydrophobicContact CD1-CE2 4.03Å; I1189-F1193 HydrophobicContact CD1-CZ 3.71Å; I1189-F1193 HydrophobicContact CG1-CD2 4.38Å; I1189-F1193 HydrophobicContact CG1-CE1 4.26Å; I1189-F1193 HydrophobicContact CG1-CE2 3.77Å; I1189-F1193 HydrophobicContact CG1-CZ 3.7Å; I1189-F1193 HydrophobicContact CG2-CE2 4.23Å; I1189-F1193 WeakPolarHBondContact O-CD2 3.19Å; I1189-F1193 VanDerWaalsContact O-CG 3.28Å; I1189-F1193 WeakPolarHBondContact O-CG 3.2Å; I1189-F1193 PolarHBondContact O-N 3.22Å; H1190-F1193 PolarHBondContact O-N 3.44Å; G1191-F1193 VanDerWaalsContact C-N 3.26Å; G1191-F1193 PolarHBondContact O-N 3.46Å; F1193-L1196 HydrophobicContact CD1-CD1 3.76Å; F1193-L1196 HydrophobicContact CE1-CD1 4.44Å; F1193-R1216 HydrophobicContact CD1-CB 4.31Å; F1193-R1216 HydrophobicContact CD1-CG 3.94Å; F1193-R1216 HydrophobicContact CE1-CB 4.25Å; F1193-R1216 HydrophobicContact CE1-CG 4.37Å; F1193-R1216 HydrophobicContact CG-CG 4.21Å; F1193-R1216 PolarHBondContact O-NE 3.45Å; F1193-R1216 PolarHBondContact O-NH2 3.47Å; F1193-E1220 HydrophobicContact CZ-CB 3.89Å; F1193-E1220 HydrophobicContact CZ-CG 4.16Å |
| 1194 | S | 82.5 | Confident | 79.6 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -88.2 | -21.9 | 170.4 | 78 | 0 | 0 | 0 | 0 | 113.1 | H1190 G1191 L1192 | H1190-S1194 PolarHBondContact O-N 3.44Å; G1191-S1194 PolarHBondContact O-N 2.91Å; G1191-S1194 PolarHBondContact O-OG 2.89Å; L1192-S1194 PolarHBondContact O-N 3.29Å |
| 1195 | M | 81.8 | Confident | 80.4 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 32% | 0.315 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -95.6 | -9.8 | -179.5 | -64.6 | 179.7 | 72.8 | 0 | 0 | 114.4 | F1180 P1186 G1191 L1192 E1197 L1324 | F1180-M1195 HydrophobicContact CD1-CE 3.88Å; F1180-M1195 HydrophobicContact CE1-CE 4.23Å; P1186-M1195 VanDerWaalsContact CD-SD 3.54Å; P1186-M1195 HydrophobicContact CG-SD 4.09Å; G1191-M1195 PolarHBondContact O-N 3.44Å; L1192-M1195 PolarHBondContact O-N 3.48Å; M1195-E1197 PolarHBondContact O-N 2.84Å; M1195-L1324 HydrophobicContact CB-CD1 4.17Å; M1195-L1324 HydrophobicContact CB-CD2 3.64Å; M1195-L1324 HydrophobicContact CE-CD1 4.06Å; M1195-L1324 WeakPolarHBondContact O-CD2 3.29Å; M1195-L1324 HydrophobicContact SD-CD1 4.3Å |
| 1196 | L | 84.6 | Confident | 80.9 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | trans | -62.7 | 124.9 | 179.6 | -69.7 | 179 | 0 | 0 | 0 | 112.8 | L1192 F1193 R1216 I1219 N1321 L1324 | L1192-L1196 HydrophobicContact CD1-CD2 4.41Å; L1192-L1196 PolarHBondContact O-N 3Å; F1193-L1196 HydrophobicContact CD1-CD1 3.76Å; F1193-L1196 HydrophobicContact CE1-CD1 4.44Å; L1196-R1216 HydrophobicContact CD1-CG 4.34Å; L1196-I1219 HydrophobicContact CD1-CD1 3.85Å; L1196-I1219 HydrophobicContact CD2-CD1 3.92Å; L1196-N1321 WeakPolarHBondContact CA-OD1 3.03Å; L1196-N1321 WeakPolarHBondContact CB-OD1 3.44Å; L1196-N1321 HydrophobicContact CD2-CB 3.89Å; L1196-N1321 VanDerWaalsContact CD2-OD1 3.23Å; L1196-N1321 WeakPolarHBondContact CD2-OD1 3.41Å; L1196-L1324 HydrophobicContact CD2-CD2 4.22Å | ||
| 1197 | E | 80.5 | Confident | 81.2 | Confident | 110 Ų | 110 | 61 Ų | 61 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | trans | -85.2 | 122.5 | 174.8 | -66.1 | -170.9 | 178.7 | 0 | 0 | 111.1 | M1195 N1321 | M1195-E1197 PolarHBondContact O-N 2.84Å; E1197-N1321 PolarHBondContact N-OD1 3.13Å; E1197-N1321 PolarHBondContact O-ND2 2.87Å; E1197-N1321 PolarHBondContact O-OD1 2.84Å | ||
| 1198 | V | 83.8 | Confident | 81.7 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | trans | -112.7 | 85.4 | 176 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | S1200 F1205 K1212 I1215 L1317 | V1198-S1200 PolarHBondContact O-N 3.39Å; V1198-F1205 HydrophobicContact CG1-CD2 4.25Å; V1198-F1205 HydrophobicContact CG1-CE2 4.32Å; V1198-K1212 HydrophobicContact CG1-CD 3.85Å; V1198-K1212 HydrophobicContact CG1-CG 4.07Å; V1198-I1215 HydrophobicContact CB-CD1 4.41Å; V1198-I1215 HydrophobicContact CG1-CD1 3.59Å; V1198-I1215 HydrophobicContact CG2-CD1 3.85Å; V1198-L1317 HydrophobicContact CG1-CD2 4.33Å | ||
| 1199 | N | 76.6 | Confident | 81.8 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | trans | -47.4 | 117.8 | -173.2 | -170.5 | -31 | 0 | 0 | 0 | 113.8 | S1201 I1202 I1316 D1320 | N1199-S1201 PolarHBondContact O-N 3.04Å; N1199-S1201 WeakPolarHBondContact OD1-CB 3.14Å; N1199-S1201 PolarHBondContact OD1-N 3.14Å; N1199-S1201 VanDerWaalsContact OD1-N 3.08Å; N1199-S1201 PolarHBondContact OD1-OG 3.36Å; N1199-I1202 HydrophobicContact CB-CD1 3.99Å; N1199-I1202 HydrophobicContact CB-CG1 4.17Å; N1199-I1202 PolarHBondContact O-N 3.09Å; N1199-I1316 HydrophobicContact CB-CG2 4.16Å; N1199-D1320 WeakPolarHBondContact CB-OD2 3.15Å; N1199-D1320 PolarHBondContact ND2-OD2 3.48Å | ||
| 1200 | S | 75.7 | Confident | 81.8 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 65% | 0.65 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.3 | -174.7 | -65.9 | 0 | 0 | 0 | 0 | 114.3 | V1198 Q1206 | V1198-S1200 PolarHBondContact O-N 3.39Å; S1200-Q1206 PolarHBondContact O-NE2 3.24Å |
| 1201 | S | 76 | Confident | 81.8 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -16.8 | 178 | 71 | 0 | 0 | 0 | 0 | 113.9 | N1199 I1203 | N1199-S1201 PolarHBondContact O-N 3.04Å; N1199-S1201 WeakPolarHBondContact OD1-CB 3.14Å; N1199-S1201 PolarHBondContact OD1-N 3.14Å; N1199-S1201 VanDerWaalsContact OD1-N 3.08Å; N1199-S1201 PolarHBondContact OD1-OG 3.36Å; S1201-I1203 PolarHBondContact O-N 3.17Å |
| 1202 | I | 82.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | trans | -64.9 | 105.9 | -177.5 | -62.5 | 173.3 | 0 | 0 | 0 | 110 | N1199 L1204 F1205 Q1206 A1313 I1316 L1317 | N1199-I1202 HydrophobicContact CB-CD1 3.99Å; N1199-I1202 HydrophobicContact CB-CG1 4.17Å; N1199-I1202 PolarHBondContact O-N 3.09Å; I1202-L1204 HydrophobicContact CG2-CB 4.01Å; I1202-L1204 PolarHBondContact O-N 3.21Å; I1202-L1204 VanDerWaalsContact O-N 3.13Å; I1202-F1205 HydrophobicContact CB-CD2 3.77Å; I1202-F1205 HydrophobicContact CB-CE2 4.22Å; I1202-F1205 HydrophobicContact CD1-CD2 4.15Å; I1202-F1205 HydrophobicContact CD1-CE2 3.87Å; I1202-F1205 HydrophobicContact CG2-CD2 3.59Å; I1202-F1205 HydrophobicContact CG2-CE2 3.78Å; I1202-F1205 HydrophobicContact CG2-CG 4.3Å; I1202-F1205 PolarHBondContact O-N 3.19Å; I1202-Q1206 PolarHBondContact O-N 3.42Å; I1202-A1313 HydrophobicContact CG2-CB 3.46Å; I1202-A1313 VanDerWaalsContact CG2-CB 3.46Å; I1202-I1316 HydrophobicContact CD1-CB 4.1Å; I1202-I1316 HydrophobicContact CD1-CG2 3.84Å; I1202-I1316 HydrophobicContact CG1-CB 4.35Å; I1202-I1316 HydrophobicContact CG1-CD1 4.3Å; I1202-I1316 HydrophobicContact CG1-CG2 4.04Å; I1202-L1317 HydrophobicContact CD1-CD2 4.07Å; I1202-L1317 HydrophobicContact CD1-CG 3.95Å | ||
| 1203 | I | 78.8 | Confident | 82 | Confident | 91 Ų | 91 | 66 Ų | 66 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.3 | -30.9 | -173.3 | -49.4 | 177 | 0 | 0 | 0 | 111.5 | S1201 F1205 Q1206 I1207 M1309 | S1201-I1203 PolarHBondContact O-N 3.17Å; I1203-F1205 VanDerWaalsContact C-N 3.26Å; I1203-F1205 PolarHBondContact O-N 3.36Å; I1203-Q1206 WeakPolarHBondContact O-CB 3.36Å; I1203-Q1206 PolarHBondContact O-N 2.99Å; I1203-I1207 HydrophobicContact CG2-CD1 4.16Å; I1203-I1207 HydrophobicContact CG2-CG1 4.22Å; I1203-I1207 PolarHBondContact O-N 3.13Å; I1203-M1309 HydrophobicContact CB-CE 3.72Å; I1203-M1309 HydrophobicContact CG2-CE 3.61Å |
| 1204 | L | 84.6 | Confident | 82 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.6 | -39.2 | 176.3 | -172.9 | 64.7 | 0 | 0 | 0 | 112.4 | I1202 N1208 L1211 L1295 Y1299 M1309 I1310 A1313 | I1202-L1204 HydrophobicContact CG2-CB 4.01Å; I1202-L1204 PolarHBondContact O-N 3.21Å; I1202-L1204 VanDerWaalsContact O-N 3.13Å; L1204-N1208 PolarHBondContact O-N 3.28Å; L1204-L1211 HydrophobicContact CD1-CD1 3.97Å; L1204-L1211 HydrophobicContact CD2-CD1 4.25Å; L1204-L1211 HydrophobicContact CG-CD1 3.83Å; L1204-L1295 HydrophobicContact CD2-CD1 4.1Å; L1204-L1295 HydrophobicContact CD2-CD2 4.12Å; L1204-Y1299 HydrophobicContact CD1-CE2 4.2Å; L1204-M1309 HydrophobicContact CB-CB 4.39Å; L1204-M1309 HydrophobicContact CB-CE 4.3Å; L1204-M1309 HydrophobicContact CD1-CB 4.23Å; L1204-I1310 HydrophobicContact CD1-CG1 4.38Å; L1204-I1310 HydrophobicContact CD2-CG1 3.86Å; L1204-A1313 HydrophobicContact CB-CB 4.18Å; L1204-A1313 HydrophobicContact CD2-CB 3.72Å |
| 1205 | F | 86.2 | Confident | 82.3 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -85.1 | -12.7 | 177.6 | -56.6 | -46 | 0 | 0 | 0 | 113.8 | V1198 I1202 I1203 P1209 L1211 K1212 I1215 L1295 L1317 | V1198-F1205 HydrophobicContact CG1-CD2 4.25Å; V1198-F1205 HydrophobicContact CG1-CE2 4.32Å; I1202-F1205 HydrophobicContact CB-CD2 3.77Å; I1202-F1205 HydrophobicContact CB-CE2 4.22Å; I1202-F1205 HydrophobicContact CD1-CD2 4.15Å; I1202-F1205 HydrophobicContact CD1-CE2 3.87Å; I1202-F1205 HydrophobicContact CG2-CD2 3.59Å; I1202-F1205 HydrophobicContact CG2-CE2 3.78Å; I1202-F1205 HydrophobicContact CG2-CG 4.3Å; I1202-F1205 PolarHBondContact O-N 3.19Å; I1203-F1205 VanDerWaalsContact C-N 3.26Å; I1203-F1205 PolarHBondContact O-N 3.36Å; F1205-P1209 WeakPolarHBondContact O-CA 3.14Å; F1205-P1209 WeakPolarHBondContact O-CG 3.45Å; F1205-L1211 HydrophobicContact CD1-CB 3.84Å; F1205-L1211 HydrophobicContact CE1-CB 3.72Å; F1205-K1212 HydrophobicContact CB-CD 4.4Å; F1205-K1212 HydrophobicContact CB-CG 3.97Å; F1205-K1212 HydrophobicContact CD1-CG 3.77Å; F1205-K1212 HydrophobicContact CD2-CG 4.27Å; F1205-K1212 HydrophobicContact CE1-CG 4.38Å; F1205-K1212 HydrophobicContact CG-CG 3.74Å; F1205-I1215 HydrophobicContact CE1-CD1 4.37Å; F1205-I1215 HydrophobicContact CE2-CD1 3.98Å; F1205-I1215 HydrophobicContact CZ-CD1 3.75Å; F1205-I1215 HydrophobicContact CZ-CG1 4.18Å; F1205-L1295 HydrophobicContact CE1-CD2 4.04Å; F1205-L1295 HydrophobicContact CZ-CD2 4.34Å; F1205-L1317 HydrophobicContact CE2-CD1 3.84Å; F1205-L1317 HydrophobicContact CE2-CD2 4.39Å; F1205-L1317 HydrophobicContact CE2-CG 4.32Å; F1205-L1317 HydrophobicContact CZ-CD1 3.79Å |
| 1206 | Q | 82 | Confident | 82.7 | Confident | 120 Ų | 120 | 65.4 Ų | 65.4 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -79.9 | -41 | 169.4 | -60.8 | 179.6 | 0.5 | 0 | 0 | 110.7 | S1200 I1202 I1203 | S1200-Q1206 PolarHBondContact O-NE2 3.24Å; I1202-Q1206 PolarHBondContact O-N 3.42Å; I1203-Q1206 WeakPolarHBondContact O-CB 3.36Å; I1203-Q1206 PolarHBondContact O-N 2.99Å |
| 1207 | I | 80.4 | Confident | 83 | Confident | 119 Ų | 119 | 66.6 Ų | 66.6 | 61% | 0.61 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -73.6 | -39.4 | 175.3 | -63.5 | -173.4 | 0 | 0 | 0 | 111.5 | I1203 M1309 | I1203-I1207 HydrophobicContact CG2-CD1 4.16Å; I1203-I1207 HydrophobicContact CG2-CG1 4.22Å; I1203-I1207 PolarHBondContact O-N 3.13Å; I1207-M1309 HydrophobicContact CD1-CE 3.84Å; I1207-M1309 HydrophobicContact CG1-CE 4.5Å |
| 1208 | N | 81.5 | Confident | 83.5 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | trans | -136.2 | 74.1 | -174.8 | -161.2 | 7.3 | 0 | 0 | 0 | 112.2 | L1204 L1211 Y1299 | L1204-N1208 PolarHBondContact O-N 3.28Å; N1208-L1211 HydrophobicContact CB-CD1 3.78Å; N1208-L1211 HydrophobicContact CB-CG 4.08Å; N1208-L1211 WeakPolarHBondContact O-CB 3.26Å; N1208-L1211 WeakPolarHBondContact O-CG 3.39Å; N1208-L1211 PolarHBondContact O-N 3.11Å; N1208-L1211 VanDerWaalsContact O-N 3.16Å; N1208-Y1299 PolarHBondContact ND2-OH 2.85Å; N1208-Y1299 VanDerWaalsContact ND2-OH 3.13Å | ||
| 1209 | P | 81.8 | Confident | 83.8 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -51.7 | -34.3 | -177.2 | -26.8 | 33.8 | 0 | 0 | 0 | 117.3 | F1205 L1211 K1212 | F1205-P1209 WeakPolarHBondContact O-CA 3.14Å; F1205-P1209 WeakPolarHBondContact O-CG 3.45Å; P1209-L1211 PolarHBondContact O-N 3.42Å; P1209-L1211 VanDerWaalsContact O-N 3.11Å; P1209-K1212 PolarHBondContact O-N 2.86Å; P1209-K1212 VanDerWaalsContact O-N 3.16Å |
| 1210 | P | 82.7 | Confident | 84.5 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -55.4 | -27.6 | 177.1 | -29.2 | 36.9 | 0 | 0 | 0 | 114.7 | K1212 Q1213 | P1210-K1212 PolarHBondContact O-N 3.34Å; P1210-K1212 VanDerWaalsContact O-N 3.09Å; P1210-Q1213 WeakPolarHBondContact O-CB 3.29Å; P1210-Q1213 WeakPolarHBondContact O-CG 3.42Å; P1210-Q1213 PolarHBondContact O-N 3.35Å |
| 1211 | L | 84.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -62.4 | -18.4 | -179.7 | -60.5 | 177.4 | 0 | 0 | 0 | 113.6 | L1204 F1205 N1208 P1209 Q1213 V1214 L1295 Y1299 | L1204-L1211 HydrophobicContact CD1-CD1 3.97Å; L1204-L1211 HydrophobicContact CD2-CD1 4.25Å; L1204-L1211 HydrophobicContact CG-CD1 3.83Å; F1205-L1211 HydrophobicContact CD1-CB 3.84Å; F1205-L1211 HydrophobicContact CE1-CB 3.72Å; N1208-L1211 HydrophobicContact CB-CD1 3.78Å; N1208-L1211 HydrophobicContact CB-CG 4.08Å; N1208-L1211 WeakPolarHBondContact O-CB 3.26Å; N1208-L1211 WeakPolarHBondContact O-CG 3.39Å; N1208-L1211 PolarHBondContact O-N 3.11Å; N1208-L1211 VanDerWaalsContact O-N 3.16Å; P1209-L1211 PolarHBondContact O-N 3.42Å; P1209-L1211 VanDerWaalsContact O-N 3.11Å; L1211-Q1213 PolarHBondContact O-N 3.36Å; L1211-V1214 PolarHBondContact O-N 3.29Å; L1211-L1295 HydrophobicContact CB-CD2 4.15Å; L1211-Y1299 HydrophobicContact CD1-CE2 3.68Å; L1211-Y1299 HydrophobicContact CD2-CE2 4.44Å |
| 1212 | K | 85.2 | Confident | 86 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -58.8 | -25.3 | 172 | -68.4 | -166.1 | 174.3 | -157.9 | 0 | 112.8 | V1198 F1205 P1209 P1210 V1214 I1215 | V1198-K1212 HydrophobicContact CG1-CD 3.85Å; V1198-K1212 HydrophobicContact CG1-CG 4.07Å; F1205-K1212 HydrophobicContact CB-CD 4.4Å; F1205-K1212 HydrophobicContact CB-CG 3.97Å; F1205-K1212 HydrophobicContact CD1-CG 3.77Å; F1205-K1212 HydrophobicContact CD2-CG 4.27Å; F1205-K1212 HydrophobicContact CE1-CG 4.38Å; F1205-K1212 HydrophobicContact CG-CG 3.74Å; P1209-K1212 PolarHBondContact O-N 2.86Å; P1209-K1212 VanDerWaalsContact O-N 3.16Å; P1210-K1212 PolarHBondContact O-N 3.34Å; P1210-K1212 VanDerWaalsContact O-N 3.09Å; K1212-V1214 VanDerWaalsContact C-N 3.3Å; K1212-V1214 PolarHBondContact O-N 3.21Å; K1212-I1215 HydrophobicContact CB-CD1 4.39Å; K1212-I1215 WeakPolarHBondContact O-CG1 3.37Å |
| 1213 | Q | 84.3 | Confident | 86.5 | Confident | 159 Ų | 159 | 57 Ų | 57 | 74% | 0.743 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -69.2 | -25.8 | 179.8 | -63.6 | -176.8 | -2.6 | 0 | 0 | 113.1 | P1210 L1211 I1215 P1217 | P1210-Q1213 WeakPolarHBondContact O-CB 3.29Å; P1210-Q1213 WeakPolarHBondContact O-CG 3.42Å; P1210-Q1213 PolarHBondContact O-N 3.35Å; L1211-Q1213 PolarHBondContact O-N 3.36Å; Q1213-I1215 VanDerWaalsContact C-N 3.32Å; Q1213-I1215 PolarHBondContact O-N 3.25Å; Q1213-P1217 WeakPolarHBondContact O-CD 3.26Å |
| 1214 | V | 86.7 | Confident | 87 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -85.2 | -4.8 | -176 | -137.2 | 0 | 0 | 0 | 0 | 113.2 | L1211 K1212 A1218 H1294 | L1211-V1214 PolarHBondContact O-N 3.29Å; K1212-V1214 VanDerWaalsContact C-N 3.3Å; K1212-V1214 PolarHBondContact O-N 3.21Å; V1214-A1218 WeakPolarHBondContact O-CB 3.43Å; V1214-A1218 PolarHBondContact O-N 3.24Å; V1214-H1294 HydrophobicContact CB-CB 4.27Å; V1214-H1294 HydrophobicContact CG1-CB 3.64Å |
| 1215 | I | 89.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.6 | -47 | 178.5 | -58.4 | 173.1 | 0 | 0 | 0 | 111.3 | V1198 F1205 K1212 Q1213 A1218 I1219 L1291 L1317 | V1198-I1215 HydrophobicContact CB-CD1 4.41Å; V1198-I1215 HydrophobicContact CG1-CD1 3.59Å; V1198-I1215 HydrophobicContact CG2-CD1 3.85Å; F1205-I1215 HydrophobicContact CE1-CD1 4.37Å; F1205-I1215 HydrophobicContact CE2-CD1 3.98Å; F1205-I1215 HydrophobicContact CZ-CD1 3.75Å; F1205-I1215 HydrophobicContact CZ-CG1 4.18Å; K1212-I1215 HydrophobicContact CB-CD1 4.39Å; K1212-I1215 WeakPolarHBondContact O-CG1 3.37Å; Q1213-I1215 VanDerWaalsContact C-N 3.32Å; Q1213-I1215 PolarHBondContact O-N 3.25Å; I1215-A1218 PolarHBondContact O-N 2.99Å; I1215-I1219 HydrophobicContact CG2-CD1 3.88Å; I1215-I1219 PolarHBondContact O-N 2.87Å; I1215-I1219 VanDerWaalsContact O-N 3.11Å; I1215-L1291 HydrophobicContact CB-CD2 4.45Å; I1215-L1291 HydrophobicContact CG2-CD2 4.1Å; I1215-L1317 HydrophobicContact CD1-CD1 3.72Å; I1215-L1317 HydrophobicContact CD1-CD2 4.09Å; I1215-L1317 HydrophobicContact CG1-CD1 3.81Å; I1215-L1317 HydrophobicContact CG2-CD1 4.26Å |
| 1216 | R | 90.2 | Very high | 87.3 | Confident | 131 Ų | 131 | 60 Ų | 60 | 49% | 0.494 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -50.5 | -177.5 | -74.3 | 179.1 | 175.2 | 175 | -6.5 | 112.5 | F1193 L1196 A1218 I1219 E1220 | F1193-R1216 HydrophobicContact CD1-CB 4.31Å; F1193-R1216 HydrophobicContact CD1-CG 3.94Å; F1193-R1216 HydrophobicContact CE1-CB 4.25Å; F1193-R1216 HydrophobicContact CE1-CG 4.37Å; F1193-R1216 HydrophobicContact CG-CG 4.21Å; F1193-R1216 PolarHBondContact O-NE 3.45Å; F1193-R1216 PolarHBondContact O-NH2 3.47Å; L1196-R1216 HydrophobicContact CD1-CG 4.34Å; R1216-A1218 VanDerWaalsContact C-N 3.27Å; R1216-A1218 PolarHBondContact O-N 2.97Å; R1216-I1219 PolarHBondContact O-N 2.65Å; R1216-E1220 WeakPolarHBondContact O-CB 3.49Å; R1216-E1220 PolarHBondContact O-N 3.46Å |
| 1217 | P | 90 | Very high | 87.5 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.3 | -32.2 | 176.2 | -25.2 | 35.2 | 0 | 0 | 0 | 114.2 | Q1213 Q1221 | Q1213-P1217 WeakPolarHBondContact O-CD 3.26Å; P1217-Q1221 WeakPolarHBondContact O-CG 3.4Å; P1217-Q1221 PolarHBondContact O-N 3.43Å; P1217-Q1221 VanDerWaalsContact O-N 3.14Å |
| 1218 | A | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1214 I1215 R1216 Q1221 A1222 Y1290 L1291 H1294 | V1214-A1218 WeakPolarHBondContact O-CB 3.43Å; V1214-A1218 PolarHBondContact O-N 3.24Å; I1215-A1218 PolarHBondContact O-N 2.99Å; R1216-A1218 VanDerWaalsContact C-N 3.27Å; R1216-A1218 PolarHBondContact O-N 2.97Å; A1218-Q1221 PolarHBondContact O-N 2.94Å; A1218-A1222 PolarHBondContact O-N 3.25Å; A1218-A1222 VanDerWaalsContact O-N 3.1Å; A1218-Y1290 VanDerWaalsContact O-CB 3.3Å; A1218-Y1290 WeakPolarHBondContact O-CB 3.03Å; A1218-L1291 HydrophobicContact CB-CD2 3.72Å; A1218-L1291 HydrophobicContact CB-CG 4.02Å; A1218-H1294 HydrophobicContact CB-CB 4.25Å |
| 1219 | I | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 177.6 | -67.3 | 176.4 | 0 | 0 | 0 | 110.8 | L1196 I1215 R1216 Q1221 A1222 L1223 M1287 | L1196-I1219 HydrophobicContact CD1-CD1 3.85Å; L1196-I1219 HydrophobicContact CD2-CD1 3.92Å; I1215-I1219 HydrophobicContact CG2-CD1 3.88Å; I1215-I1219 PolarHBondContact O-N 2.87Å; I1215-I1219 VanDerWaalsContact O-N 3.11Å; R1216-I1219 PolarHBondContact O-N 2.65Å; I1219-Q1221 VanDerWaalsContact C-N 3.35Å; I1219-Q1221 PolarHBondContact O-N 3.48Å; I1219-A1222 PolarHBondContact O-N 3.27Å; I1219-L1223 HydrophobicContact CG2-CD1 3.75Å; I1219-L1223 HydrophobicContact CG2-CG 4.35Å; I1219-L1223 WeakPolarHBondContact O-CB 3.42Å; I1219-L1223 WeakPolarHBondContact O-CD1 3.47Å; I1219-L1223 VanDerWaalsContact O-CG 3.27Å; I1219-L1223 WeakPolarHBondContact O-CG 3.49Å; I1219-L1223 PolarHBondContact O-N 3.44Å; I1219-M1287 HydrophobicContact CD1-CE 4.15Å; I1219-M1287 HydrophobicContact CG1-CE 4.19Å |
| 1220 | E | 91.5 | Very high | 87.9 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 173.8 | -164.8 | 168.6 | 179.7 | 0 | 0 | 112.2 | I1189 F1193 R1216 A1224 | I1189-E1220 HydrophobicContact CD1-CG 3.95Å; F1193-E1220 HydrophobicContact CZ-CB 3.89Å; F1193-E1220 HydrophobicContact CZ-CG 4.16Å; R1216-E1220 WeakPolarHBondContact O-CB 3.49Å; R1216-E1220 PolarHBondContact O-N 3.46Å; E1220-A1224 WeakPolarHBondContact O-CB 3.25Å; E1220-A1224 PolarHBondContact O-N 3.16Å |
| 1221 | Q | 92.2 | Very high | 88 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 178.5 | -72.4 | 178.2 | -21.1 | 0 | 0 | 112.4 | P1217 A1218 I1219 L1223 A1224 E1225 Y1290 H1294 | P1217-Q1221 WeakPolarHBondContact O-CG 3.4Å; P1217-Q1221 PolarHBondContact O-N 3.43Å; P1217-Q1221 VanDerWaalsContact O-N 3.14Å; A1218-Q1221 PolarHBondContact O-N 2.94Å; I1219-Q1221 VanDerWaalsContact C-N 3.35Å; I1219-Q1221 PolarHBondContact O-N 3.48Å; Q1221-L1223 VanDerWaalsContact C-N 3.33Å; Q1221-L1223 PolarHBondContact O-N 3.34Å; Q1221-A1224 PolarHBondContact O-N 2.94Å; Q1221-E1225 PolarHBondContact O-N 2.6Å; Q1221-Y1290 HydrophobicContact CB-CD1 3.73Å; Q1221-Y1290 HydrophobicContact CB-CD2 4.18Å; Q1221-Y1290 HydrophobicContact CB-CE1 3.71Å; Q1221-Y1290 HydrophobicContact CB-CE2 4.16Å; Q1221-Y1290 HydrophobicContact CB-CG 3.98Å; Q1221-Y1290 HydrophobicContact CG-CE1 4.48Å; Q1221-H1294 PolarHBondContact OE1-NE2 3.04Å |
| 1222 | A | 91 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1218 I1219 V1226 A1286 M1287 Y1290 | A1218-A1222 PolarHBondContact O-N 3.25Å; A1218-A1222 VanDerWaalsContact O-N 3.1Å; I1219-A1222 PolarHBondContact O-N 3.27Å; A1222-V1226 WeakPolarHBondContact O-CG2 3.37Å; A1222-V1226 PolarHBondContact O-N 3.29Å; A1222-A1286 HydrophobicContact CB-CB 3.78Å; A1222-M1287 HydrophobicContact CB-CB 4.4Å; A1222-M1287 HydrophobicContact CB-CG 3.77Å; A1222-Y1290 HydrophobicContact CB-CD2 3.87Å |
| 1223 | L | 91.2 | Very high | 87.4 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 176.8 | -72.1 | 164.4 | 0 | 0 | 0 | 112.1 | I1189 L1192 I1219 Q1221 E1225 V1226 I1227 L1283 C1325 Y1328 V1329 | I1189-L1223 HydrophobicContact CD1-CD1 4.41Å; L1192-L1223 HydrophobicContact CD2-CD1 3.36Å; I1219-L1223 HydrophobicContact CG2-CD1 3.75Å; I1219-L1223 HydrophobicContact CG2-CG 4.35Å; I1219-L1223 WeakPolarHBondContact O-CB 3.42Å; I1219-L1223 WeakPolarHBondContact O-CD1 3.47Å; I1219-L1223 VanDerWaalsContact O-CG 3.27Å; I1219-L1223 WeakPolarHBondContact O-CG 3.49Å; I1219-L1223 PolarHBondContact O-N 3.44Å; Q1221-L1223 VanDerWaalsContact C-N 3.33Å; Q1221-L1223 PolarHBondContact O-N 3.34Å; L1223-E1225 PolarHBondContact O-N 2.95Å; L1223-V1226 PolarHBondContact O-N 3Å; L1223-I1227 HydrophobicContact CB-CD1 4.37Å; L1223-I1227 VanDerWaalsContact O-CB 3.3Å; L1223-I1227 WeakPolarHBondContact O-CB 3.41Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.38Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.36Å; L1223-I1227 PolarHBondContact O-N 3.01Å; L1223-L1283 HydrophobicContact CD2-CD1 3.71Å; L1223-L1283 HydrophobicContact CD2-CD2 4.29Å; L1223-L1283 HydrophobicContact CG-CD1 4.23Å; L1223-C1325 HydrophobicContact CD2-CB 4.23Å; L1223-Y1328 HydrophobicContact CD1-CD1 4.31Å; L1223-Y1328 HydrophobicContact CD1-CE1 4.45Å; L1223-Y1328 HydrophobicContact CD2-CD1 3.97Å; L1223-Y1328 HydrophobicContact CD2-CE1 4.5Å; L1223-V1329 HydrophobicContact CD2-CG2 3.42Å; L1223-V1329 VanDerWaalsContact CD2-CG2 3.42Å |
| 1224 | A | 89.8 | Confident | 87.3 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1220 Q1221 S1228 | E1220-A1224 WeakPolarHBondContact O-CB 3.25Å; E1220-A1224 PolarHBondContact O-N 3.16Å; Q1221-A1224 PolarHBondContact O-N 2.94Å; A1224-S1228 WeakPolarHBondContact O-CB 3.42Å; A1224-S1228 PolarHBondContact O-N 2.82Å; A1224-S1228 PolarHBondContact O-OG 2.95Å |
| 1225 | E | 89.4 | Confident | 87.1 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 46% | 0.458 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -52.8 | 176 | -173.5 | 175.1 | 161.2 | 0 | 0 | 111.3 | Q1221 L1223 S1228 A1229 Y1290 | Q1221-E1225 PolarHBondContact O-N 2.6Å; L1223-E1225 PolarHBondContact O-N 2.95Å; E1225-S1228 PolarHBondContact O-N 3.25Å; E1225-S1228 PolarHBondContact O-OG 3.04Å; E1225-A1229 VanDerWaalsContact O-CB 3.27Å; E1225-A1229 WeakPolarHBondContact O-CB 3.34Å; E1225-A1229 PolarHBondContact O-N 3.39Å; E1225-Y1290 VanDerWaalsContact OE2-CE2 3.24Å; E1225-Y1290 WeakPolarHBondContact OE2-CE2 3.44Å; E1225-Y1290 PolarHBondContact OE2-OH 3.28Å |
| 1226 | V | 88.1 | Confident | 86.8 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72 | -39.4 | -172.4 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | A1222 L1223 S1228 M1230 C1279 P1282 L1283 A1286 | A1222-V1226 WeakPolarHBondContact O-CG2 3.37Å; A1222-V1226 PolarHBondContact O-N 3.29Å; L1223-V1226 PolarHBondContact O-N 3Å; V1226-S1228 VanDerWaalsContact C-N 3.32Å; V1226-S1228 PolarHBondContact O-N 3.37Å; V1226-M1230 PolarHBondContact O-N 3.02Å; V1226-M1230 VanDerWaalsContact O-N 3.15Å; V1226-C1279 HydrophobicContact CG1-CB 3.63Å; V1226-P1282 HydrophobicContact CG1-CB 4.02Å; V1226-P1282 HydrophobicContact CG2-CB 4.04Å; V1226-P1282 WeakPolarHBondContact CG2-O 3.27Å; V1226-L1283 HydrophobicContact CG1-CB 4.34Å; V1226-A1286 HydrophobicContact CG2-CB 3.98Å |
| 1227 | I | 85.6 | Confident | 86.3 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.5 | -66.3 | 168.8 | 0 | 0 | 0 | 110.8 | L1223 R1231 Y1328 V1329 | L1223-I1227 HydrophobicContact CB-CD1 4.37Å; L1223-I1227 VanDerWaalsContact O-CB 3.3Å; L1223-I1227 WeakPolarHBondContact O-CB 3.41Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.38Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.36Å; L1223-I1227 PolarHBondContact O-N 3.01Å; I1227-R1231 PolarHBondContact O-N 2.99Å; I1227-Y1328 HydrophobicContact CD1-CE1 4.07Å; I1227-V1329 HydrophobicContact CD1-CG2 4.05Å; I1227-V1329 HydrophobicContact CG1-CB 4.48Å; I1227-V1329 HydrophobicContact CG1-CG1 4.12Å; I1227-V1329 HydrophobicContact CG1-CG2 3.85Å |
| 1228 | S | 84.9 | Confident | 86 | Confident | 89 Ų | 89 | 55.3 Ų | 55.3 | 62% | 0.622 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -75.8 | -40.9 | -179.9 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | A1224 E1225 V1226 M1230 | A1224-S1228 WeakPolarHBondContact O-CB 3.42Å; A1224-S1228 PolarHBondContact O-N 2.82Å; A1224-S1228 PolarHBondContact O-OG 2.95Å; E1225-S1228 PolarHBondContact O-N 3.25Å; E1225-S1228 PolarHBondContact O-OG 3.04Å; V1226-S1228 VanDerWaalsContact C-N 3.32Å; V1226-S1228 PolarHBondContact O-N 3.37Å; S1228-M1230 PolarHBondContact O-N 2.93Å |
| 1229 | A | 83.6 | Confident | 85.9 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.6 | -32.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1225 | E1225-A1229 VanDerWaalsContact O-CB 3.27Å; E1225-A1229 WeakPolarHBondContact O-CB 3.34Å; E1225-A1229 PolarHBondContact O-N 3.39Å |
| 1230 | M | 84.2 | Confident | 85.5 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -99.3 | -2.3 | -176.2 | -71 | -60.8 | -172.8 | 0 | 0 | 115.3 | V1226 S1228 D1232 R1233 T1234 H1278 P1282 | V1226-M1230 PolarHBondContact O-N 3.02Å; V1226-M1230 VanDerWaalsContact O-N 3.15Å; S1228-M1230 PolarHBondContact O-N 2.93Å; M1230-D1232 VanDerWaalsContact C-N 3.33Å; M1230-D1232 PolarHBondContact O-N 2.9Å; M1230-D1232 VanDerWaalsContact O-N 3.14Å; M1230-R1233 PolarHBondContact O-N 3.39Å; M1230-T1234 HydrophobicContact CB-CG2 4.08Å; M1230-T1234 PolarHBondContact O-N 2.78Å; M1230-T1234 PolarHBondContact O-OG1 2.79Å; M1230-H1278 HydrophobicContact CE-CB 4.31Å; M1230-H1278 WeakPolarHBondContact CE-O 3.3Å; M1230-H1278 HydrophobicContact CG-CB 4.19Å; M1230-H1278 HydrophobicContact SD-CB 3.92Å; M1230-P1282 HydrophobicContact CE-CG 4.14Å |
| 1231 | R | 83.7 | Confident | 84.9 | Confident | 125 Ų | 125 | 58 Ų | 58 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -49 | -46.4 | -172.5 | -167.5 | -173.1 | 175.1 | -178.9 | -2.4 | 114.3 | I1227 R1233 T1234 Q1235 E1340 | I1227-R1231 PolarHBondContact O-N 2.99Å; R1231-R1233 PolarHBondContact O-N 3.47Å; R1231-T1234 PolarHBondContact O-N 3.39Å; R1231-T1234 PolarHBondContact O-OG1 3.29Å; R1231-Q1235 HydrophobicContact CG-CG 4.33Å; R1231-Q1235 WeakPolarHBondContact O-CB 3.38Å; R1231-Q1235 PolarHBondContact O-N 3.39Å; R1231-E1340 IonicContact CZ-OE1 3.36Å; R1231-E1340 IonicContact NE-OE1 3.54Å; R1231-E1340 IonicContact NH2-OE1 2.65Å; R1231-E1340 PolarHBondContact NH2-OE1 3.36Å |
| 1232 | D | 79 | Confident | 84.6 | Confident | 88 Ų | 88 | 54 Ų | 54 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -62.8 | -31 | -178.6 | -79.9 | -30.3 | 0 | 0 | 0 | 113.1 | M1230 R1236 V1237 | M1230-D1232 VanDerWaalsContact C-N 3.33Å; M1230-D1232 PolarHBondContact O-N 2.9Å; M1230-D1232 VanDerWaalsContact O-N 3.14Å; D1232-R1236 PolarHBondContact O-N 3.27Å; D1232-R1236 VanDerWaalsContact OD1-CD 3.3Å; D1232-R1236 WeakPolarHBondContact OD1-CD 3.14Å; D1232-R1236 IonicContact OD1-CZ 2.66Å; D1232-R1236 IonicContact OD1-NE 3.4Å; D1232-R1236 IonicContact OD1-NH1 2.72Å; D1232-R1236 PolarHBondContact OD1-NH1 3.28Å; D1232-R1236 IonicContact OD2-NH1 3.64Å; D1232-V1237 PolarHBondContact O-N 3.11Å |
| 1233 | R | 79 | Confident | 84.2 | Confident | 126 Ų | 126 | 56.3 Ų | 56.3 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -85.3 | -33.8 | 177.2 | -60.8 | -175.9 | 178 | 177.5 | -1.2 | 112.4 | M1230 R1231 P1238 | M1230-R1233 PolarHBondContact O-N 3.39Å; R1231-R1233 PolarHBondContact O-N 3.47Å; R1233-P1238 WeakPolarHBondContact O-CD 3.43Å |
| 1234 | T | 81.4 | Confident | 83.5 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -84.5 | -14.6 | -178.8 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | M1230 R1231 M1274 A1275 | M1230-T1234 HydrophobicContact CB-CG2 4.08Å; M1230-T1234 PolarHBondContact O-N 2.78Å; M1230-T1234 PolarHBondContact O-OG1 2.79Å; R1231-T1234 PolarHBondContact O-N 3.39Å; R1231-T1234 PolarHBondContact O-OG1 3.29Å; T1234-M1274 HydrophobicContact CG2-CB 4.33Å; T1234-A1275 HydrophobicContact CG2-CB 4.16Å |
| 1235 | Q | 83.9 | Confident | 82.9 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -126 | -63.1 | -176.3 | -57.9 | -173.2 | -33.7 | 0 | 0 | 112.9 | R1231 V1237 P1238 L1239 S1333 L1337 | R1231-Q1235 HydrophobicContact CG-CG 4.33Å; R1231-Q1235 WeakPolarHBondContact O-CB 3.38Å; R1231-Q1235 PolarHBondContact O-N 3.39Å; Q1235-V1237 PolarHBondContact O-N 3.5Å; Q1235-P1238 WeakPolarHBondContact O-CD 3.36Å; Q1235-L1239 VanDerWaalsContact O-CB 3.29Å; Q1235-L1239 WeakPolarHBondContact O-CB 3.42Å; Q1235-L1239 PolarHBondContact O-N 2.81Å; Q1235-S1333 PolarHBondContact NE2-O 2.79Å; Q1235-L1337 WeakPolarHBondContact O-CD1 3.2Å |
| 1236 | R | 82.2 | Confident | 82.6 | Confident | 158 Ų | 158 | 57.9 Ų | 57.9 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | I | π-helix | trans | -62.2 | -43.2 | -173.4 | -72.8 | -173.4 | 173.3 | 148.5 | -10.2 | 114.2 | D1232 L1239 S1240 | D1232-R1236 PolarHBondContact O-N 3.27Å; D1232-R1236 VanDerWaalsContact OD1-CD 3.3Å; D1232-R1236 WeakPolarHBondContact OD1-CD 3.14Å; D1232-R1236 IonicContact OD1-CZ 2.66Å; D1232-R1236 IonicContact OD1-NE 3.4Å; D1232-R1236 IonicContact OD1-NH1 2.72Å; D1232-R1236 PolarHBondContact OD1-NH1 3.28Å; D1232-R1236 IonicContact OD2-NH1 3.64Å; R1236-L1239 PolarHBondContact O-N 3.5Å; R1236-S1240 PolarHBondContact O-N 2.67Å; R1236-S1240 VanDerWaalsContact O-N 3.1Å; R1236-S1240 PolarHBondContact O-OG 2.96Å |
| 1237 | V | 79.3 | Confident | 82.3 | Confident | 81 Ų | 81 | 60.4 Ų | 60.4 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -49.6 | 179 | 174 | 0 | 0 | 0 | 0 | 111.2 | D1232 Q1235 S1240 T1241 | D1232-V1237 PolarHBondContact O-N 3.11Å; Q1235-V1237 PolarHBondContact O-N 3.5Å; V1237-S1240 PolarHBondContact O-OG 3.33Å; V1237-T1241 PolarHBondContact O-N 3.38Å; V1237-T1241 PolarHBondContact O-OG1 3.48Å |
| 1238 | P | 83.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.4 | -51.4 | 167.4 | -32.4 | 37.4 | 0 | 0 | 0 | 114.5 | R1233 Q1235 S1240 T1241 I1242 L1270 M1274 L1337 | R1233-P1238 WeakPolarHBondContact O-CD 3.43Å; Q1235-P1238 WeakPolarHBondContact O-CD 3.36Å; P1238-S1240 PolarHBondContact O-N 2.93Å; P1238-T1241 WeakPolarHBondContact O-CB 3.47Å; P1238-T1241 PolarHBondContact O-N 2.72Å; P1238-I1242 HydrophobicContact CB-CD1 4.26Å; P1238-I1242 WeakPolarHBondContact O-CD1 3.35Å; P1238-I1242 WeakPolarHBondContact O-CG1 3.37Å; P1238-I1242 PolarHBondContact O-N 2.85Å; P1238-L1270 HydrophobicContact CB-CB 4.27Å; P1238-L1270 HydrophobicContact CB-CD2 3.85Å; P1238-L1270 HydrophobicContact CB-CG 3.83Å; P1238-L1270 HydrophobicContact CG-CD2 4.42Å; P1238-L1270 HydrophobicContact CG-CG 4.03Å; P1238-M1274 HydrophobicContact CG-CB 4.27Å; P1238-M1274 HydrophobicContact CG-CG 3.56Å; P1238-L1337 HydrophobicContact CB-CD1 4.14Å; P1238-L1337 HydrophobicContact CB-CD2 3.38Å; P1238-L1337 HydrophobicContact CB-CG 4.43Å; P1238-L1337 HydrophobicContact CG-CD2 4.24Å |
| 1239 | L | 88 | Confident | 81 | Confident | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -50.8 | -54.2 | -176.9 | -178.1 | 68.9 | 0 | 0 | 0 | 111.3 | Q1235 R1236 T1241 I1242 E1243 L1337 E1340 L1341 A1344 | Q1235-L1239 VanDerWaalsContact O-CB 3.29Å; Q1235-L1239 WeakPolarHBondContact O-CB 3.42Å; Q1235-L1239 PolarHBondContact O-N 2.81Å; R1236-L1239 PolarHBondContact O-N 3.5Å; L1239-T1241 VanDerWaalsContact C-N 3.33Å; L1239-T1241 PolarHBondContact O-N 3.36Å; L1239-I1242 PolarHBondContact O-N 3.19Å; L1239-E1243 VanDerWaalsContact O-CB 3.23Å; L1239-E1243 WeakPolarHBondContact O-CB 3.35Å; L1239-E1243 PolarHBondContact O-N 3.2Å; L1239-L1337 HydrophobicContact CB-CD1 3.77Å; L1239-L1337 HydrophobicContact CD1-CD1 4.15Å; L1239-E1340 HydrophobicContact CD1-CB 4.06Å; L1239-E1340 HydrophobicContact CD2-CB 4.16Å; L1239-L1341 VanDerWaalsContact CD1-CA 3.47Å; L1239-L1341 HydrophobicContact CD1-CB 3.79Å; L1239-L1341 HydrophobicContact CD1-CD1 3.89Å; L1239-L1341 HydrophobicContact CD1-CG 4.45Å; L1239-A1344 HydrophobicContact CD1-CB 4.29Å |
| 1240 | S | 83.1 | Confident | 80.7 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -33 | -179.9 | 64 | 0 | 0 | 0 | 0 | 114 | R1236 V1237 P1238 L1244 | R1236-S1240 PolarHBondContact O-N 2.67Å; R1236-S1240 VanDerWaalsContact O-N 3.1Å; R1236-S1240 PolarHBondContact O-OG 2.96Å; V1237-S1240 PolarHBondContact O-OG 3.33Å; P1238-S1240 PolarHBondContact O-N 2.93Å; S1240-L1244 WeakPolarHBondContact O-CB 3.47Å; S1240-L1244 PolarHBondContact O-N 3.21Å |
| 1241 | T | 80.2 | Confident | 80.1 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71 | -43.8 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | V1237 P1238 L1239 L1245 L1270 | V1237-T1241 PolarHBondContact O-N 3.38Å; V1237-T1241 PolarHBondContact O-OG1 3.48Å; P1238-T1241 WeakPolarHBondContact O-CB 3.47Å; P1238-T1241 PolarHBondContact O-N 2.72Å; L1239-T1241 VanDerWaalsContact C-N 3.33Å; L1239-T1241 PolarHBondContact O-N 3.36Å; T1241-L1245 HydrophobicContact CG2-CD1 4.03Å; T1241-L1245 WeakPolarHBondContact O-CB 3.46Å; T1241-L1245 WeakPolarHBondContact O-CG 3.49Å; T1241-L1245 PolarHBondContact O-N 3.22Å; T1241-L1270 HydrophobicContact CG2-CD2 4.37Å |
| 1242 | I | 84.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.9 | -43.1 | -179.4 | -60.7 | 162.3 | 0 | 0 | 0 | 110.4 | P1238 L1239 L1244 L1245 L1246 M1266 L1270 L1337 L1341 | P1238-I1242 HydrophobicContact CB-CD1 4.26Å; P1238-I1242 WeakPolarHBondContact O-CD1 3.35Å; P1238-I1242 WeakPolarHBondContact O-CG1 3.37Å; P1238-I1242 PolarHBondContact O-N 2.85Å; L1239-I1242 PolarHBondContact O-N 3.19Å; I1242-L1244 VanDerWaalsContact C-N 3.31Å; I1242-L1244 PolarHBondContact O-N 3.28Å; I1242-L1245 PolarHBondContact O-N 3.19Å; I1242-L1246 HydrophobicContact CG2-CD1 3.42Å; I1242-L1246 VanDerWaalsContact CG2-CD1 3.42Å; I1242-L1246 HydrophobicContact CG2-CG 4.07Å; I1242-L1246 WeakPolarHBondContact O-CB 3.42Å; I1242-L1246 WeakPolarHBondContact O-CG 3.35Å; I1242-L1246 PolarHBondContact O-N 3.24Å; I1242-M1266 HydrophobicContact CD1-CB 4.16Å; I1242-M1266 HydrophobicContact CG1-CB 3.98Å; I1242-M1266 HydrophobicContact CG1-CE 4.14Å; I1242-M1266 HydrophobicContact CG1-SD 4.47Å; I1242-M1266 HydrophobicContact CG2-CB 3.85Å; I1242-M1266 HydrophobicContact CG2-CE 4.48Å; I1242-M1266 HydrophobicContact CG2-CG 4.48Å; I1242-M1266 HydrophobicContact CG2-SD 3.82Å; I1242-L1270 HydrophobicContact CD1-CB 4.29Å; I1242-L1270 HydrophobicContact CD1-CD2 4.12Å; I1242-L1270 HydrophobicContact CG1-CD2 3.88Å; I1242-L1337 HydrophobicContact CD1-CD2 4.06Å; I1242-L1341 HydrophobicContact CB-CD1 4.18Å; I1242-L1341 HydrophobicContact CB-CD2 4.32Å; I1242-L1341 HydrophobicContact CD1-CD2 4.32Å; I1242-L1341 HydrophobicContact CG2-CD1 3.86Å; I1242-L1341 HydrophobicContact CG2-CD2 3.53Å; I1242-L1341 HydrophobicContact CG2-CG 4.35Å |
| 1243 | E | 83.9 | Confident | 78.8 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 176.2 | -175.5 | -178.3 | -176.5 | 0 | 0 | 112.1 | L1239 R1247 L1345 | L1239-E1243 VanDerWaalsContact O-CB 3.23Å; L1239-E1243 WeakPolarHBondContact O-CB 3.35Å; L1239-E1243 PolarHBondContact O-N 3.2Å; E1243-R1247 VanDerWaalsContact CD-NH1 3.33Å; E1243-R1247 VanDerWaalsContact CG-NH1 3.27Å; E1243-R1247 WeakPolarHBondContact O-CG 3.21Å; E1243-R1247 PolarHBondContact O-N 3.15Å; E1243-R1247 IonicContact OE1-CZ 3.28Å; E1243-R1247 IonicContact OE1-NH1 3.54Å; E1243-R1247 PolarHBondContact OE1-NH1 3.02Å; E1243-R1247 IonicContact OE1-NH2 3.66Å; E1243-R1247 PolarHBondContact OE1-NH2 3.03Å; E1243-L1345 HydrophobicContact CG-CD2 4.16Å |
| 1244 | L | 77 | Confident | 78.5 | Confident | 133 Ų | 133 | 49.4 Ų | 49.4 | 70% | 0.696 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.5 | -46.3 | 176.5 | -167.9 | 76.6 | 0 | 0 | 0 | 112.2 | S1240 I1242 K1248 | S1240-L1244 WeakPolarHBondContact O-CB 3.47Å; S1240-L1244 PolarHBondContact O-N 3.21Å; I1242-L1244 VanDerWaalsContact C-N 3.31Å; I1242-L1244 PolarHBondContact O-N 3.28Å; L1244-K1248 WeakPolarHBondContact O-CB 3.4Å; L1244-K1248 PolarHBondContact O-N 2.63Å |
| 1245 | L | 76.6 | Confident | 78.2 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | -178.3 | -79.4 | 168.5 | 0 | 0 | 0 | 111.8 | T1241 I1242 R1247 K1248 D1249 M1266 | T1241-L1245 HydrophobicContact CG2-CD1 4.03Å; T1241-L1245 WeakPolarHBondContact O-CB 3.46Å; T1241-L1245 WeakPolarHBondContact O-CG 3.49Å; T1241-L1245 PolarHBondContact O-N 3.22Å; I1242-L1245 PolarHBondContact O-N 3.19Å; L1245-R1247 PolarHBondContact O-N 3.18Å; L1245-K1248 CarbonylContact O-C 3.34Å; L1245-K1248 WeakPolarHBondContact O-CA 3.45Å; L1245-K1248 WeakPolarHBondContact O-CB 3.39Å; L1245-K1248 PolarHBondContact O-N 3.47Å; L1245-D1249 PolarHBondContact O-N 3.18Å; L1245-M1266 HydrophobicContact CB-CE 4.28Å; L1245-M1266 HydrophobicContact CD1-CE 3.73Å |
| 1246 | L | 82.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.6 | -35 | -177.5 | -65.7 | 172.2 | 0 | 0 | 0 | 112.9 | I1242 K1248 Y1250 M1259 A1263 M1266 L1345 Y1393 | I1242-L1246 HydrophobicContact CG2-CD1 3.42Å; I1242-L1246 VanDerWaalsContact CG2-CD1 3.42Å; I1242-L1246 HydrophobicContact CG2-CG 4.07Å; I1242-L1246 WeakPolarHBondContact O-CB 3.42Å; I1242-L1246 WeakPolarHBondContact O-CG 3.35Å; I1242-L1246 PolarHBondContact O-N 3.24Å; L1246-K1248 VanDerWaalsContact C-N 3.25Å; L1246-K1248 PolarHBondContact O-N 2.94Å; L1246-Y1250 HydrophobicContact CB-CD2 4.33Å; L1246-Y1250 HydrophobicContact CD2-CD2 3.72Å; L1246-Y1250 HydrophobicContact CD2-CE2 3.43Å; L1246-Y1250 VanDerWaalsContact CD2-CE2 3.43Å; L1246-Y1250 VanDerWaalsContact O-CB 3.3Å; L1246-Y1250 WeakPolarHBondContact O-CB 3.49Å; L1246-Y1250 PolarHBondContact O-N 2.96Å; L1246-M1259 HydrophobicContact CB-CE 3.81Å; L1246-M1259 HydrophobicContact CB-CG 4.47Å; L1246-A1263 HydrophobicContact CD1-CB 3.69Å; L1246-M1266 HydrophobicContact CD1-SD 4.29Å; L1246-M1266 HydrophobicContact CD2-SD 3.81Å; L1246-M1266 HydrophobicContact CG-SD 3.91Å; L1246-L1345 HydrophobicContact CD1-CD1 3.86Å; L1246-Y1393 HydrophobicContact CD2-CD1 3.76Å; L1246-Y1393 HydrophobicContact CD2-CE1 3.91Å; L1246-Y1393 HydrophobicContact CD2-CG 4.37Å |
| 1247 | R | 82.5 | Confident | 77.9 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -28.9 | 171.7 | -74.6 | -173.9 | -175.5 | 127.3 | 13.2 | 112.9 | E1243 L1245 A1251 M1259 A1344 D1348 | E1243-R1247 VanDerWaalsContact CD-NH1 3.33Å; E1243-R1247 VanDerWaalsContact CG-NH1 3.27Å; E1243-R1247 WeakPolarHBondContact O-CG 3.21Å; E1243-R1247 PolarHBondContact O-N 3.15Å; E1243-R1247 IonicContact OE1-CZ 3.28Å; E1243-R1247 IonicContact OE1-NH1 3.54Å; E1243-R1247 PolarHBondContact OE1-NH1 3.02Å; E1243-R1247 IonicContact OE1-NH2 3.66Å; E1243-R1247 PolarHBondContact OE1-NH2 3.03Å; L1245-R1247 PolarHBondContact O-N 3.18Å; R1247-A1251 WeakPolarHBondContact O-CB 3.48Å; R1247-M1259 HydrophobicContact CG-CE 4.26Å; R1247-A1344 PolarHBondContact NH2-O 2.81Å; R1247-D1348 IonicContact CZ-OD2 3.47Å; R1247-D1348 IonicContact NE-OD1 2.76Å; R1247-D1348 PolarHBondContact NE-OD1 3.27Å; R1247-D1348 IonicContact NE-OD2 3.71Å; R1247-D1348 PolarHBondContact NE-OD2 2.78Å; R1247-D1348 IonicContact NH2-OD2 3.65Å; R1247-D1348 PolarHBondContact NH2-OD2 3.38Å |
| 1248 | K | 74.1 | Confident | 77.5 | Confident | 101 Ų | 101 | 47.4 Ų | 47.4 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -80.7 | -46.7 | 178 | -176.3 | -136.6 | 66.4 | 176 | 0 | 112.1 | L1244 L1245 L1246 A1251 M1367 | L1244-K1248 WeakPolarHBondContact O-CB 3.4Å; L1244-K1248 PolarHBondContact O-N 2.63Å; L1245-K1248 CarbonylContact O-C 3.34Å; L1245-K1248 WeakPolarHBondContact O-CA 3.45Å; L1245-K1248 WeakPolarHBondContact O-CB 3.39Å; L1245-K1248 PolarHBondContact O-N 3.47Å; L1246-K1248 VanDerWaalsContact C-N 3.25Å; L1246-K1248 PolarHBondContact O-N 2.94Å; K1248-A1251 VanDerWaalsContact O-CB 3.31Å; K1248-A1251 WeakPolarHBondContact O-CB 3.41Å; K1248-M1367 HydrophobicContact CB-CE 3.53Å; K1248-M1367 HydrophobicContact CG-CE 3.68Å |
| 1249 | D | 69.4 | Low | 77.4 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79.2 | -38.4 | -176.4 | -66.9 | -46.8 | 0 | 0 | 0 | 112.9 | L1245 A1251 Y1393 | L1245-D1249 PolarHBondContact O-N 3.18Å; D1249-A1251 PolarHBondContact O-N 3.39Å; D1249-Y1393 WeakPolarHBondContact CB-OH 3.31Å; D1249-Y1393 PolarHBondContact OD2-OH 2.84Å |
| 1250 | Y | 76.7 | Confident | 77.1 | Confident | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 16.4 | 174.4 | -66 | -98.5 | 0 | 0 | 0 | 112.3 | L1246 T1252 D1253 M1258 M1259 R1352 H1390 Y1393 | L1246-Y1250 HydrophobicContact CB-CD2 4.33Å; L1246-Y1250 HydrophobicContact CD2-CD2 3.72Å; L1246-Y1250 HydrophobicContact CD2-CE2 3.43Å; L1246-Y1250 VanDerWaalsContact CD2-CE2 3.43Å; L1246-Y1250 VanDerWaalsContact O-CB 3.3Å; L1246-Y1250 WeakPolarHBondContact O-CB 3.49Å; L1246-Y1250 PolarHBondContact O-N 2.96Å; Y1250-T1252 PolarHBondContact O-N 3.48Å; Y1250-T1252 VanDerWaalsContact O-N 3.09Å; Y1250-D1253 HydrophobicContact CD1-CB 3.87Å; Y1250-D1253 WeakPolarHBondContact CD1-OD2 3.42Å; Y1250-D1253 PolarHBondContact O-N 2.76Å; Y1250-M1258 HydrophobicContact CD1-CB 4.44Å; Y1250-M1258 HydrophobicContact CE1-CB 3.74Å; Y1250-M1258 PolarHBondContact OH-O 3.45Å; Y1250-M1259 HydrophobicContact CD1-CB 3.99Å; Y1250-M1259 HydrophobicContact CD1-CG 4.44Å; Y1250-M1259 HydrophobicContact CD2-CG 4.26Å; Y1250-M1259 HydrophobicContact CE1-CB 4.48Å; Y1250-M1259 HydrophobicContact CG-CB 4.09Å; Y1250-M1259 HydrophobicContact CG-CG 4.02Å; Y1250-R1352 PolarHBondContact O-NH2 3.14Å; Y1250-H1390 AromaticContact CZ-ND1 3.93Å; Y1250-H1390 PolarHBondContact OH-CE1 3.09Å; Y1250-H1390 VanDerWaalsContact OH-CE1 3.29Å; Y1250-H1390 PolarHBondContact OH-ND1 2.83Å; Y1250-Y1393 AromaticContact CE2-CD2 3.91Å; Y1250-Y1393 HydrophobicContact CE2-CD2 3.91Å; Y1250-Y1393 HydrophobicContact CE2-CE1 4.36Å; Y1250-Y1393 AromaticContact CE2-CE2 3.72Å; Y1250-Y1393 HydrophobicContact CE2-CE2 3.72Å; Y1250-Y1393 HydrophobicContact CE2-CG 4.32Å; Y1250-Y1393 AromaticContact CE2-CZ 4Å; Y1250-Y1393 AromaticContact CZ-CD2 3.88Å; Y1250-Y1393 AromaticContact CZ-CE2 3.95Å; Y1250-Y1393 WeakPolarHBondContact OH-CD2 3.43Å; Y1250-Y1393 WeakPolarHBondContact OH-CE2 3.37Å |
| 1251 | A | 72.6 | Confident | 76.7 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1247 K1248 D1249 F1362 V1363 D1364 M1367 | R1247-A1251 WeakPolarHBondContact O-CB 3.48Å; K1248-A1251 VanDerWaalsContact O-CB 3.31Å; K1248-A1251 WeakPolarHBondContact O-CB 3.41Å; D1249-A1251 PolarHBondContact O-N 3.39Å; A1251-F1362 WeakPolarHBondContact O-CE1 3.5Å; A1251-V1363 CarbonylContact O-C 3.54Å; A1251-V1363 WeakPolarHBondContact O-CA 3.3Å; A1251-D1364 HydrophobicContact CB-CB 4.33Å; A1251-D1364 PolarHBondContact O-N 3.42Å; A1251-M1367 HydrophobicContact CB-CB 4.4Å; A1251-M1367 HydrophobicContact CB-CG 4.34Å |
| 1252 | T | 65.8 | Low | 76.3 | Confident | 95 Ų | 95 | 44.8 Ų | 44.8 | 58% | 0.583 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 5.8 | 179.3 | 50.4 | 0 | 0 | 0 | 0 | 114 | Y1250 F1362 V1363 | Y1250-T1252 PolarHBondContact O-N 3.48Å; Y1250-T1252 VanDerWaalsContact O-N 3.09Å; T1252-F1362 CarbonylContact C-O 3.44Å; T1252-F1362 WeakPolarHBondContact CA-O 3.3Å; T1252-V1363 HydrophobicContact CG2-CG1 4.47Å |
| 1253 | D | 68.3 | Low | 76.2 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | trans | -97.1 | 123.8 | 176.6 | -175.9 | 0.2 | 0 | 0 | 0 | 110.9 | Y1250 N1255 R1352 F1362 | Y1250-D1253 HydrophobicContact CD1-CB 3.87Å; Y1250-D1253 WeakPolarHBondContact CD1-OD2 3.42Å; Y1250-D1253 PolarHBondContact O-N 2.76Å; D1253-N1255 PolarHBondContact OD1-N 2.96Å; D1253-R1352 WeakPolarHBondContact O-CD 3.38Å; D1253-R1352 PolarHBondContact O-NE 2.95Å; D1253-F1362 VanDerWaalsContact O-CD1 3.25Å; D1253-F1362 WeakPolarHBondContact O-CD1 3.37Å | ||
| 1254 | G | 73.9 | Confident | 76.2 | Confident | 22 Ų | 22 | 44 Ų | 44 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | trans | -89.3 | -1.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1256 | G1254-E1256 PolarHBondContact O-N 3.38Š| ||
| 1255 | N | 75.3 | Confident | 76.2 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 24% | 0.235 | 20% | 0.195 | C | C | . | . | trans | -91.3 | 104.9 | 178.8 | -165.9 | 0.4 | 0 | 0 | 0 | 111.9 | D1253 E1257 M1258 M1259 | D1253-N1255 PolarHBondContact OD1-N 2.96Å; N1255-E1257 PolarHBondContact O-N 3.28Å; N1255-E1257 PolarHBondContact OD1-N 3.33Å; N1255-M1258 HydrophobicContact CB-CB 4.23Å; N1255-M1258 HydrophobicContact CB-CG 3.56Å; N1255-M1258 VanDerWaalsContact ND2-CG 3.31Å; N1255-M1258 WeakPolarHBondContact ND2-CG 3.4Å; N1255-M1258 PolarHBondContact O-N 2.77Å; N1255-M1258 VanDerWaalsContact O-N 3.14Å; N1255-M1259 PolarHBondContact O-N 3.38Å | ||
| 1256 | E | 80.9 | Confident | 76.3 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -31 | 176.8 | 73.6 | -161.9 | -119.6 | 0 | 0 | 113.2 | G1254 M1258 M1259 M1260 R1352 R1353 R1356 | G1254-E1256 PolarHBondContact O-N 3.38Å; E1256-M1258 VanDerWaalsContact C-N 3.33Å; E1256-M1258 PolarHBondContact O-N 3.18Å; E1256-M1259 PolarHBondContact O-N 3.44Å; E1256-M1260 VanDerWaalsContact O-CB 3.28Å; E1256-M1260 WeakPolarHBondContact O-CB 3.5Å; E1256-M1260 PolarHBondContact O-N 2.92Å; E1256-R1352 HydrophobicContact CB-CB 3.99Å; E1256-R1353 IonicContact OE1-CZ 3.16Å; E1256-R1353 IonicContact OE1-NE 3.5Å; E1256-R1353 PolarHBondContact OE1-NE 2.85Å; E1256-R1353 IonicContact OE1-NH2 2.72Å; E1256-R1353 PolarHBondContact OE1-NH2 3.06Å; E1256-R1353 WeakPolarHBondContact OE2-CA 3.48Å; E1256-R1353 WeakPolarHBondContact OE2-CB 3.35Å; E1256-R1353 WeakPolarHBondContact OE2-CG 3.29Å; E1256-R1353 PolarHBondContact OE2-N 3.18Å; E1256-R1353 IonicContact OE2-NE 2.68Å; E1256-R1356 IonicContact OE1-NH2 3.75Å; E1256-R1356 IonicContact OE2-CZ 2.78Å; E1256-R1356 IonicContact OE2-NE 3.6Å; E1256-R1356 IonicContact OE2-NH2 3.67Å; E1256-R1356 PolarHBondContact OE2-NH2 3.33Å |
| 1257 | E | 78.7 | Confident | 76.3 | Confident | 89 Ų | 89 | 36.5 Ų | 36.5 | 42% | 0.416 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.2 | -36.5 | 178.5 | -67.3 | 174.8 | 178.1 | 0 | 0 | 111.1 | N1255 M1260 M1261 | N1255-E1257 PolarHBondContact O-N 3.28Å; N1255-E1257 PolarHBondContact OD1-N 3.33Å; E1257-M1260 PolarHBondContact O-N 2.79Å; E1257-M1261 VanDerWaalsContact O-CB 3.28Å; E1257-M1261 WeakPolarHBondContact O-CB 3.4Å; E1257-M1261 WeakPolarHBondContact O-CG 3.3Å; E1257-M1261 PolarHBondContact O-N 2.63Å |
| 1258 | M | 70 | Confident | 76.3 | Confident | 51 Ų | 51 | 35.6 Ų | 35.6 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.6 | -44.2 | 178.4 | -53.5 | -75.9 | -92.9 | 0 | 0 | 109.9 | Y1250 N1255 E1256 M1260 M1261 G1262 H1390 | Y1250-M1258 HydrophobicContact CD1-CB 4.44Å; Y1250-M1258 HydrophobicContact CE1-CB 3.74Å; Y1250-M1258 PolarHBondContact OH-O 3.45Å; N1255-M1258 HydrophobicContact CB-CB 4.23Å; N1255-M1258 HydrophobicContact CB-CG 3.56Å; N1255-M1258 VanDerWaalsContact ND2-CG 3.31Å; N1255-M1258 WeakPolarHBondContact ND2-CG 3.4Å; N1255-M1258 PolarHBondContact O-N 2.77Å; N1255-M1258 VanDerWaalsContact O-N 3.14Å; E1256-M1258 VanDerWaalsContact C-N 3.33Å; E1256-M1258 PolarHBondContact O-N 3.18Å; M1258-M1260 PolarHBondContact O-N 2.73Å; M1258-M1261 PolarHBondContact O-N 2.69Å; M1258-G1262 PolarHBondContact O-N 3.34Å; M1258-H1390 HydrophobicContact CE-CB 3.62Å; M1258-H1390 WeakPolarHBondContact CE-CD2 3.44Å; M1258-H1390 PolarHBondContact O-CE1 2.69Å; M1258-H1390 PolarHBondContact SD-CD2 3.12Å; M1258-H1390 PolarHBondContact SD-NE2 2.88Å |
| 1259 | M | 81.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 174.7 | -165.6 | -165.6 | -169 | 0 | 0 | 111.8 | L1246 R1247 Y1250 N1255 E1256 G1262 A1263 L1345 D1348 Y1349 R1352 | L1246-M1259 HydrophobicContact CB-CE 3.81Å; L1246-M1259 HydrophobicContact CB-CG 4.47Å; R1247-M1259 HydrophobicContact CG-CE 4.26Å; Y1250-M1259 HydrophobicContact CD1-CB 3.99Å; Y1250-M1259 HydrophobicContact CD1-CG 4.44Å; Y1250-M1259 HydrophobicContact CD2-CG 4.26Å; Y1250-M1259 HydrophobicContact CE1-CB 4.48Å; Y1250-M1259 HydrophobicContact CG-CB 4.09Å; Y1250-M1259 HydrophobicContact CG-CG 4.02Å; N1255-M1259 PolarHBondContact O-N 3.38Å; E1256-M1259 PolarHBondContact O-N 3.44Å; M1259-G1262 PolarHBondContact O-N 2.78Å; M1259-A1263 WeakPolarHBondContact O-CB 3.46Å; M1259-A1263 PolarHBondContact O-N 2.78Å; M1259-L1345 HydrophobicContact CE-CD1 4.19Å; M1259-L1345 HydrophobicContact CE-CD2 3.8Å; M1259-D1348 HydrophobicContact CE-CB 4.09Å; M1259-D1348 HydrophobicContact SD-CB 4.09Å; M1259-Y1349 HydrophobicContact CB-CE1 4.4Å; M1259-Y1349 HydrophobicContact CG-CE1 4.26Å; M1259-Y1349 HydrophobicContact SD-CD1 4.01Å; M1259-Y1349 HydrophobicContact SD-CE1 4.1Å; M1259-R1352 PolarHBondContact SD-NH1 3.03Å |
| 1260 | M | 82.5 | Confident | 77 | Confident | 61 Ų | 61 | 31.2 Ų | 31.2 | 30% | 0.3 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.1 | -43.1 | 178.6 | -175.8 | -178.5 | 67.7 | 0 | 0 | 112.2 | E1256 E1257 M1258 G1262 A1263 H1264 Y1349 | E1256-M1260 VanDerWaalsContact O-CB 3.28Å; E1256-M1260 WeakPolarHBondContact O-CB 3.5Å; E1256-M1260 PolarHBondContact O-N 2.92Å; E1257-M1260 PolarHBondContact O-N 2.79Å; M1258-M1260 PolarHBondContact O-N 2.73Å; M1260-G1262 PolarHBondContact O-N 3.15Å; M1260-A1263 WeakPolarHBondContact O-CB 3.32Å; M1260-A1263 PolarHBondContact O-N 2.8Å; M1260-H1264 WeakPolarHBondContact CG-NE2 3.39Å; M1260-H1264 WeakPolarHBondContact O-CB 3.19Å; M1260-H1264 PolarHBondContact O-CD2 2.87Å; M1260-H1264 VanDerWaalsContact O-CD2 3.23Å; M1260-H1264 PolarHBondContact O-N 2.67Å; M1260-Y1349 HydrophobicContact CB-CE1 3.86Å; M1260-Y1349 HydrophobicContact CB-CE2 4.44Å; M1260-Y1349 HydrophobicContact CG-CE1 4.48Å; M1260-Y1349 HydrophobicContact CG-CE2 4.25Å |
| 1261 | M | 73.7 | Confident | 77.4 | Confident | 36 Ų | 36 | 30.8 Ų | 30.8 | 18% | 0.177 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 171 | -76.4 | 176.3 | 77 | 0 | 0 | 111.1 | E1257 M1258 N1265 T1394 L1415 | E1257-M1261 VanDerWaalsContact O-CB 3.28Å; E1257-M1261 WeakPolarHBondContact O-CB 3.4Å; E1257-M1261 WeakPolarHBondContact O-CG 3.3Å; E1257-M1261 PolarHBondContact O-N 2.63Å; M1258-M1261 PolarHBondContact O-N 2.69Å; M1261-N1265 WeakPolarHBondContact O-CB 3.32Å; M1261-N1265 PolarHBondContact O-N 3.47Å; M1261-N1265 PolarHBondContact O-ND2 3.26Å; M1261-T1394 HydrophobicContact CB-CG2 3.78Å; M1261-T1394 HydrophobicContact CE-CG2 4.21Å; M1261-L1415 HydrophobicContact CE-CD1 3.92Å; M1261-L1415 HydrophobicContact CG-CD1 3.46Å; M1261-L1415 VanDerWaalsContact CG-CD1 3.46Å; M1261-L1415 HydrophobicContact SD-CD1 3.29Å; M1261-L1415 WeakPolarHBondContact SD-CD1 3.46Å |
| 1262 | G | 71.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.7 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1258 M1259 M1260 N1265 M1266 | M1258-G1262 PolarHBondContact O-N 3.34Å; M1259-G1262 PolarHBondContact O-N 2.78Å; M1260-G1262 PolarHBondContact O-N 3.15Å; G1262-N1265 PolarHBondContact O-N 2.93Å; G1262-M1266 WeakPolarHBondContact O-CB 3.36Å; G1262-M1266 WeakPolarHBondContact O-CG 3.2Å; G1262-M1266 PolarHBondContact O-N 2.87Å |
| 1263 | A | 82.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.8 | -57.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1246 M1259 M1260 N1265 G1267 L1341 L1345 Y1349 | L1246-A1263 HydrophobicContact CD1-CB 3.69Å; M1259-A1263 WeakPolarHBondContact O-CB 3.46Å; M1259-A1263 PolarHBondContact O-N 2.78Å; M1260-A1263 WeakPolarHBondContact O-CB 3.32Å; M1260-A1263 PolarHBondContact O-N 2.8Å; A1263-N1265 PolarHBondContact O-N 2.89Å; A1263-N1265 VanDerWaalsContact O-N 3.17Å; A1263-G1267 PolarHBondContact O-N 2.93Å; A1263-L1341 HydrophobicContact CB-CD2 3.65Å; A1263-L1341 HydrophobicContact CB-CG 4.07Å; A1263-L1341 WeakPolarHBondContact O-CD2 3.47Å; A1263-L1345 HydrophobicContact CB-CD1 3.67Å; A1263-Y1349 WeakPolarHBondContact CB-OH 3.36Å |
| 1264 | H | 84.5 | Confident | 79.4 | Confident | 31 Ų | 31 | 26.4 Ų | 26.4 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.7 | -40.2 | -175.5 | -74 | -158.9 | 0 | 0 | 0 | 112.1 | M1260 R1268 I1338 D1342 | M1260-H1264 WeakPolarHBondContact CG-NE2 3.39Å; M1260-H1264 WeakPolarHBondContact O-CB 3.19Å; M1260-H1264 PolarHBondContact O-CD2 2.87Å; M1260-H1264 VanDerWaalsContact O-CD2 3.23Å; M1260-H1264 PolarHBondContact O-N 2.67Å; H1264-R1268 WeakPolarHBondContact O-CG 3.37Å; H1264-R1268 PolarHBondContact O-N 3.31Å; H1264-I1338 HydrophobicContact CB-CG2 4.33Å; H1264-D1342 IonicContact CD2-OD1 3.95Å; H1264-D1342 PolarHBondContact CD2-OD1 2.89Å; H1264-D1342 IonicContact CD2-OD2 2.59Å; H1264-D1342 IonicContact CE1-OD2 2.63Å; H1264-D1342 IonicContact NE2-OD1 2.65Å; H1264-D1342 PolarHBondContact NE2-OD1 2.89Å; H1264-D1342 IonicContact NE2-OD2 2.7Å; H1264-D1342 PolarHBondContact NE2-OD2 2.85Å |
| 1265 | N | 76.7 | Confident | 79.9 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -94.1 | -32.6 | -168.5 | -67.8 | -47.7 | 0 | 0 | 0 | 113 | H1118 M1261 G1262 A1263 G1267 R1268 V1269 Y1393 T1394 A1395 | H1118-N1265 PolarHBondContact NE2-ND2 3.21Å; M1261-N1265 WeakPolarHBondContact O-CB 3.32Å; M1261-N1265 PolarHBondContact O-N 3.47Å; M1261-N1265 PolarHBondContact O-ND2 3.26Å; G1262-N1265 PolarHBondContact O-N 2.93Å; A1263-N1265 PolarHBondContact O-N 2.89Å; A1263-N1265 VanDerWaalsContact O-N 3.17Å; N1265-G1267 PolarHBondContact O-N 3.33Å; N1265-R1268 PolarHBondContact O-N 3.48Å; N1265-R1268 PolarHBondContact OD1-NH1 3.42Å; N1265-V1269 VanDerWaalsContact O-CG2 3.27Å; N1265-V1269 WeakPolarHBondContact O-CG2 3.29Å; N1265-V1269 PolarHBondContact O-N 2.68Å; N1265-Y1393 CarbonylContact C-O 3.58Å; N1265-Y1393 WeakPolarHBondContact CB-O 3.22Å; N1265-T1394 VanDerWaalsContact CB-CA 3.44Å; N1265-T1394 WeakPolarHBondContact ND2-CB 3.34Å; N1265-A1395 HydrophobicContact CB-CB 3.81Å; N1265-A1395 VanDerWaalsContact CG-CB 3.48Å; N1265-A1395 WeakPolarHBondContact OD1-CB 3.37Å |
| 1266 | M | 78.3 | Confident | 80.4 | Confident | 31 Ų | 31 | 26 Ų | 26 | 15% | 0.153 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.7 | -41.7 | 158.7 | -73.5 | -169.7 | 84.2 | 0 | 0 | 110.8 | I1242 L1245 L1246 G1262 V1269 L1270 Y1393 | I1242-M1266 HydrophobicContact CD1-CB 4.16Å; I1242-M1266 HydrophobicContact CG1-CB 3.98Å; I1242-M1266 HydrophobicContact CG1-CE 4.14Å; I1242-M1266 HydrophobicContact CG1-SD 4.47Å; I1242-M1266 HydrophobicContact CG2-CB 3.85Å; I1242-M1266 HydrophobicContact CG2-CE 4.48Å; I1242-M1266 HydrophobicContact CG2-CG 4.48Å; I1242-M1266 HydrophobicContact CG2-SD 3.82Å; L1245-M1266 HydrophobicContact CB-CE 4.28Å; L1245-M1266 HydrophobicContact CD1-CE 3.73Å; L1246-M1266 HydrophobicContact CD1-SD 4.29Å; L1246-M1266 HydrophobicContact CD2-SD 3.81Å; L1246-M1266 HydrophobicContact CG-SD 3.91Å; G1262-M1266 WeakPolarHBondContact O-CB 3.36Å; G1262-M1266 WeakPolarHBondContact O-CG 3.2Å; G1262-M1266 PolarHBondContact O-N 2.87Å; M1266-V1269 PolarHBondContact O-N 2.89Å; M1266-L1270 VanDerWaalsContact O-CB 3.28Å; M1266-L1270 WeakPolarHBondContact O-CB 3.07Å; M1266-L1270 PolarHBondContact O-N 3.17Å; M1266-Y1393 HydrophobicContact CG-CD1 3.8Å; M1266-Y1393 PolarHBondContact N-O 3.48Å; M1266-Y1393 HydrophobicContact SD-CD1 3.56Å; M1266-Y1393 VanDerWaalsContact SD-CD1 3.56Å; M1266-Y1393 HydrophobicContact SD-CE1 4.01Å |
| 1267 | G | 82.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -51.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1263 N1265 V1269 G1271 L1337 | A1263-G1267 PolarHBondContact O-N 2.93Å; N1265-G1267 PolarHBondContact O-N 3.33Å; G1267-V1269 VanDerWaalsContact C-N 3.3Å; G1267-V1269 PolarHBondContact O-N 3.41Å; G1267-G1271 PolarHBondContact O-N 2.98Å; G1267-L1337 WeakPolarHBondContact O-CD2 3.34Å |
| 1268 | R | 83.1 | Confident | 80.6 | Confident | 42 Ų | 42 | 30.3 Ų | 30.3 | 16% | 0.158 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.9 | -45.4 | 175.8 | -76 | 176.1 | 177.9 | 138 | 2.4 | 112.8 | H1264 N1265 S1272 I1338 | H1264-R1268 WeakPolarHBondContact O-CG 3.37Å; H1264-R1268 PolarHBondContact O-N 3.31Å; N1265-R1268 PolarHBondContact O-N 3.48Å; N1265-R1268 PolarHBondContact OD1-NH1 3.42Å; R1268-S1272 WeakPolarHBondContact O-CB 3.15Å; R1268-S1272 PolarHBondContact O-N 3.46Å; R1268-S1272 PolarHBondContact O-OG 3.42Å; R1268-I1338 HydrophobicContact CG-CD1 3.64Å; R1268-I1338 HydrophobicContact CG-CG1 4.4Å |
| 1269 | V | 76.7 | Confident | 81.5 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 12% | 0.115 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.6 | -59.7 | -178.9 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | C1113 R1114 N1265 M1266 G1267 S1272 A1273 | C1113-V1269 HydrophobicContact CB-CG2 3.08Å; C1113-V1269 WeakPolarHBondContact O-CG2 3.47Å; R1114-V1269 HydrophobicContact CG-CG1 4.37Å; N1265-V1269 VanDerWaalsContact O-CG2 3.27Å; N1265-V1269 WeakPolarHBondContact O-CG2 3.29Å; N1265-V1269 PolarHBondContact O-N 2.68Å; M1266-V1269 PolarHBondContact O-N 2.89Å; G1267-V1269 VanDerWaalsContact C-N 3.3Å; G1267-V1269 PolarHBondContact O-N 3.41Å; V1269-S1272 CarbonylContact O-C 3.39Å; V1269-S1272 PolarHBondContact O-N 2.73Å; V1269-A1273 VanDerWaalsContact O-CB 3.26Å; V1269-A1273 WeakPolarHBondContact O-CB 3.26Å; V1269-A1273 PolarHBondContact O-N 2.98Å |
| 1270 | L | 81.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 33.1 Ų | 33.1 | 22% | 0.22 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.5 | -35.5 | -167.1 | -167.3 | 60.6 | 0 | 0 | 0 | 110.9 | P1238 T1241 I1242 M1266 A1273 M1274 | P1238-L1270 HydrophobicContact CB-CB 4.27Å; P1238-L1270 HydrophobicContact CB-CD2 3.85Å; P1238-L1270 HydrophobicContact CB-CG 3.83Å; P1238-L1270 HydrophobicContact CG-CD2 4.42Å; P1238-L1270 HydrophobicContact CG-CG 4.03Å; T1241-L1270 HydrophobicContact CG2-CD2 4.37Å; I1242-L1270 HydrophobicContact CD1-CB 4.29Å; I1242-L1270 HydrophobicContact CD1-CD2 4.12Å; I1242-L1270 HydrophobicContact CG1-CD2 3.88Å; M1266-L1270 VanDerWaalsContact O-CB 3.28Å; M1266-L1270 WeakPolarHBondContact O-CB 3.07Å; M1266-L1270 PolarHBondContact O-N 3.17Å; L1270-A1273 PolarHBondContact O-N 2.96Å; L1270-M1274 HydrophobicContact CD1-CE 4.26Å; L1270-M1274 WeakPolarHBondContact O-CB 3.44Å; L1270-M1274 WeakPolarHBondContact O-CG 3.13Å; L1270-M1274 PolarHBondContact O-N 2.75Å |
| 1271 | G | 84 | Confident | 82.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1267 A1275 | G1267-G1271 PolarHBondContact O-N 2.98Å; G1271-A1275 WeakPolarHBondContact O-CB 3.04Å; G1271-A1275 PolarHBondContact O-N 2.85Å |
| 1272 | S | 84 | Confident | 82.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.6 | -30.4 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | R1268 V1269 A1275 M1276 M1330 A1334 V1398 | R1268-S1272 WeakPolarHBondContact O-CB 3.15Å; R1268-S1272 PolarHBondContact O-N 3.46Å; R1268-S1272 PolarHBondContact O-OG 3.42Å; V1269-S1272 CarbonylContact O-C 3.39Å; V1269-S1272 PolarHBondContact O-N 2.73Å; S1272-A1275 PolarHBondContact O-N 2.69Å; S1272-M1276 WeakPolarHBondContact O-CB 3.48Å; S1272-M1276 PolarHBondContact O-N 3.45Å; S1272-M1330 PolarHBondContact OG-O 2.83Å; S1272-A1334 WeakPolarHBondContact OG-CB 3.32Å; S1272-V1398 WeakPolarHBondContact OG-CG1 3.47Å |
| 1273 | A | 80.6 | Confident | 83.7 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 20% | 0.198 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -49.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1269 L1270 A1275 M1276 F1277 P1399 | V1269-A1273 VanDerWaalsContact O-CB 3.26Å; V1269-A1273 WeakPolarHBondContact O-CB 3.26Å; V1269-A1273 PolarHBondContact O-N 2.98Å; L1270-A1273 PolarHBondContact O-N 2.96Å; A1273-A1275 VanDerWaalsContact C-N 3.32Å; A1273-A1275 PolarHBondContact O-N 3.45Å; A1273-M1276 PolarHBondContact O-N 2.74Å; A1273-F1277 WeakPolarHBondContact O-CB 3.35Å; A1273-F1277 PolarHBondContact O-N 3.19Å; A1273-P1399 HydrophobicContact CB-CG 3.88Å |
| 1274 | M | 84.4 | Confident | 84.1 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 19% | 0.192 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.3 | -67.2 | -56.9 | 101 | 0 | 0 | 111 | T1234 P1238 L1270 F1277 H1278 | T1234-M1274 HydrophobicContact CG2-CB 4.33Å; P1238-M1274 HydrophobicContact CG-CB 4.27Å; P1238-M1274 HydrophobicContact CG-CG 3.56Å; L1270-M1274 HydrophobicContact CD1-CE 4.26Å; L1270-M1274 WeakPolarHBondContact O-CB 3.44Å; L1270-M1274 WeakPolarHBondContact O-CG 3.13Å; L1270-M1274 PolarHBondContact O-N 2.75Å; M1274-F1277 PolarHBondContact O-N 3.22Å; M1274-H1278 VanDerWaalsContact O-CB 3.25Å; M1274-H1278 WeakPolarHBondContact O-CB 3.49Å; M1274-H1278 PolarHBondContact O-N 3.17Å |
| 1275 | A | 85.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1234 G1271 S1272 A1273 C1279 V1329 M1330 | T1234-A1275 HydrophobicContact CG2-CB 4.16Å; G1271-A1275 WeakPolarHBondContact O-CB 3.04Å; G1271-A1275 PolarHBondContact O-N 2.85Å; S1272-A1275 PolarHBondContact O-N 2.69Å; A1273-A1275 VanDerWaalsContact C-N 3.32Å; A1273-A1275 PolarHBondContact O-N 3.45Å; A1275-C1279 WeakPolarHBondContact O-CA 3.48Å; A1275-C1279 WeakPolarHBondContact O-CB 3.42Å; A1275-C1279 PolarHBondContact O-N 2.8Å; A1275-V1329 HydrophobicContact CB-CG1 4.46Å; A1275-M1330 HydrophobicContact CB-CB 4.29Å; A1275-M1330 HydrophobicContact CB-CG 3.88Å |
| 1276 | M | 84.2 | Confident | 85 | Confident | 58 Ų | 58 | 40 Ų | 40 | 29% | 0.286 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.5 | -56.9 | 169.7 | 167.9 | 162.6 | -83.6 | 0 | 0 | 110.6 | S1272 A1273 H1278 R1280 M1330 P1399 | S1272-M1276 WeakPolarHBondContact O-CB 3.48Å; S1272-M1276 PolarHBondContact O-N 3.45Å; A1273-M1276 PolarHBondContact O-N 2.74Å; M1276-H1278 PolarHBondContact O-N 2.76Å; M1276-R1280 WeakPolarHBondContact O-CB 3.07Å; M1276-R1280 PolarHBondContact O-N 3.27Å; M1276-R1280 VanDerWaalsContact O-N 3.07Å; M1276-M1330 HydrophobicContact CB-SD 3.66Å; M1276-M1330 HydrophobicContact CE-SD 4.11Å; M1276-P1399 HydrophobicContact CB-CB 4.29Å; M1276-P1399 HydrophobicContact SD-CB 4.02Å |
| 1277 | F | 81.3 | Confident | 85.6 | Confident | 158 Ų | 158 | 38.6 Ų | 38.6 | 69% | 0.693 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -70.5 | -35 | -168.4 | -169.2 | -95.7 | 0 | 0 | 0 | 112.9 | A1273 M1274 | A1273-F1277 WeakPolarHBondContact O-CB 3.35Å; A1273-F1277 PolarHBondContact O-N 3.19Å; M1274-F1277 PolarHBondContact O-N 3.22Å |
| 1278 | H | 84 | Confident | 86 | Confident | 40 Ų | 40 | 38.9 Ų | 38.9 | 19% | 0.185 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -94.9 | -31.5 | -180 | -64.8 | -42.3 | 0 | 0 | 0 | 114.2 | M1230 M1274 M1276 P1282 | M1230-H1278 HydrophobicContact CE-CB 4.31Å; M1230-H1278 WeakPolarHBondContact CE-O 3.3Å; M1230-H1278 HydrophobicContact CG-CB 4.19Å; M1230-H1278 HydrophobicContact SD-CB 3.92Å; M1274-H1278 VanDerWaalsContact O-CB 3.25Å; M1274-H1278 WeakPolarHBondContact O-CB 3.49Å; M1274-H1278 PolarHBondContact O-N 3.17Å; M1276-H1278 PolarHBondContact O-N 2.76Å; H1278-P1282 WeakPolarHBondContact O-CD 3.1Å; H1278-P1282 VanDerWaalsContact O-CG 3.29Å; H1278-P1282 WeakPolarHBondContact O-CG 3.21Å |
| 1279 | C | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -97.5 | -19.3 | -176.1 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | V1226 A1275 L1283 L1326 V1329 | V1226-C1279 HydrophobicContact CG1-CB 3.63Å; A1275-C1279 WeakPolarHBondContact O-CA 3.48Å; A1275-C1279 WeakPolarHBondContact O-CB 3.42Å; A1275-C1279 PolarHBondContact O-N 2.8Å; C1279-L1283 WeakPolarHBondContact O-CB 3.49Å; C1279-L1283 PolarHBondContact O-N 3.26Å; C1279-L1326 HydrophobicContact CB-CD1 4.46Å; C1279-V1329 HydrophobicContact CB-CG1 3.66Å |
| 1280 | R | 89 | Confident | 87.2 | Confident | 110 Ų | 110 | 39 Ų | 39 | 42% | 0.415 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -53.6 | -66.2 | -177.2 | 174.9 | 175.1 | -174.7 | -148.6 | -0.8 | 112.4 | M1276 L1283 Y1284 L1326 | M1276-R1280 WeakPolarHBondContact O-CB 3.07Å; M1276-R1280 PolarHBondContact O-N 3.27Å; M1276-R1280 VanDerWaalsContact O-N 3.07Å; R1280-L1283 PolarHBondContact O-N 3.45Å; R1280-Y1284 HydrophobicContact CG-CD2 4.37Å; R1280-Y1284 HydrophobicContact CG-CE2 4.37Å; R1280-Y1284 WeakPolarHBondContact O-CD2 3.46Å; R1280-Y1284 PolarHBondContact O-N 3.29Å; R1280-L1326 HydrophobicContact CB-CD1 4.16Å; R1280-L1326 HydrophobicContact CB-CD2 3.73Å; R1280-L1326 HydrophobicContact CG-CD2 3.79Å |
| 1281 | D | 86.9 | Confident | 87.7 | Confident | 105 Ų | 105 | 37 Ų | 37 | 56% | 0.561 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -62.6 | -52.1 | -175 | -68.3 | -11.9 | 0 | 0 | 0 | 109.6 | L1283 Y1284 F1285 | D1281-L1283 VanDerWaalsContact C-N 3.27Å; D1281-L1283 PolarHBondContact O-N 2.8Å; D1281-L1283 VanDerWaalsContact O-N 3.14Å; D1281-Y1284 PolarHBondContact O-N 3.38Å; D1281-F1285 WeakPolarHBondContact O-CB 3.49Å; D1281-F1285 WeakPolarHBondContact O-CD2 3.43Å; D1281-F1285 WeakPolarHBondContact O-CG 3.28Å; D1281-F1285 PolarHBondContact O-N 3.47Å |
| 1282 | P | 87.5 | Confident | 88 | Confident | 46 Ų | 46 | 39 Ų | 39 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52.4 | -32.1 | 174.4 | -32.4 | 40.6 | 0 | 0 | 0 | 116.6 | V1226 M1230 H1278 F1285 A1286 | V1226-P1282 HydrophobicContact CG1-CB 4.02Å; V1226-P1282 HydrophobicContact CG2-CB 4.04Å; V1226-P1282 WeakPolarHBondContact CG2-O 3.27Å; M1230-P1282 HydrophobicContact CE-CG 4.14Å; H1278-P1282 WeakPolarHBondContact O-CD 3.1Å; H1278-P1282 VanDerWaalsContact O-CG 3.29Å; H1278-P1282 WeakPolarHBondContact O-CG 3.21Å; P1282-F1285 WeakPolarHBondContact O-CB 3.5Å; P1282-A1286 WeakPolarHBondContact O-CB 3.2Å; P1282-A1286 PolarHBondContact O-N 2.92Å |
| 1283 | L | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.7 | -51.4 | -179.2 | 178.6 | 62.5 | 0 | 0 | 0 | 112.5 | L1223 V1226 C1279 R1280 D1281 F1285 A1286 M1287 C1325 L1326 V1329 | L1223-L1283 HydrophobicContact CD2-CD1 3.71Å; L1223-L1283 HydrophobicContact CD2-CD2 4.29Å; L1223-L1283 HydrophobicContact CG-CD1 4.23Å; V1226-L1283 HydrophobicContact CG1-CB 4.34Å; C1279-L1283 WeakPolarHBondContact O-CB 3.49Å; C1279-L1283 PolarHBondContact O-N 3.26Å; R1280-L1283 PolarHBondContact O-N 3.45Å; D1281-L1283 VanDerWaalsContact C-N 3.27Å; D1281-L1283 PolarHBondContact O-N 2.8Å; D1281-L1283 VanDerWaalsContact O-N 3.14Å; L1283-F1285 PolarHBondContact O-N 3.41Å; L1283-A1286 PolarHBondContact O-N 3.48Å; L1283-M1287 HydrophobicContact CD1-CG 4.11Å; L1283-M1287 HydrophobicContact CD1-SD 4.12Å; L1283-M1287 HydrophobicContact CG-CG 4.42Å; L1283-M1287 HydrophobicContact CG-SD 3.97Å; L1283-M1287 VanDerWaalsContact O-CB 3.31Å; L1283-M1287 WeakPolarHBondContact O-CB 3.39Å; L1283-M1287 VanDerWaalsContact O-CG 3.23Å; L1283-M1287 WeakPolarHBondContact O-CG 3.33Å; L1283-M1287 PolarHBondContact O-N 3.3Å; L1283-C1325 VanDerWaalsContact CD2-C 3.42Å; L1283-C1325 HydrophobicContact CD2-CB 3.86Å; L1283-C1325 HydrophobicContact CG-CB 4.47Å; L1283-L1326 HydrophobicContact CD2-CB 4.06Å; L1283-L1326 HydrophobicContact CD2-CD1 4.36Å; L1283-V1329 HydrophobicContact CD2-CG2 3.82Å |
| 1284 | Y | 92.1 | Very high | 88.7 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.5 | -42.4 | 169.3 | -81.3 | -107.9 | 0 | 0 | 0 | 108.8 | S593 R1280 D1281 M1287 Q1288 T1318 E1323 | S593-Y1284 PolarHBondContact OG-O 3.42Å; R1280-Y1284 HydrophobicContact CG-CD2 4.37Å; R1280-Y1284 HydrophobicContact CG-CE2 4.37Å; R1280-Y1284 WeakPolarHBondContact O-CD2 3.46Å; R1280-Y1284 PolarHBondContact O-N 3.29Å; D1281-Y1284 PolarHBondContact O-N 3.38Å; Y1284-M1287 PolarHBondContact O-N 3.19Å; Y1284-Q1288 PolarHBondContact O-N 3.47Å; Y1284-T1318 HydrophobicContact CD1-CG2 3.99Å; Y1284-T1318 HydrophobicContact CG-CG2 4.42Å; Y1284-E1323 PolarHBondContact OH-N 3.09Å; Y1284-E1323 VanDerWaalsContact OH-N 3.15Å |
| 1285 | F | 90.2 | Very high | 88.9 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 37% | 0.368 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.8 | -60.1 | 178.1 | -93.5 | -124.7 | 0 | 0 | 0 | 112.3 | S591 T592 D1281 P1282 L1283 M1287 G1289 | S591-F1285 VanDerWaalsContact C-C 3.44Å; S591-F1285 VanDerWaalsContact C-CD1 3.41Å; S591-F1285 CarbonylContact C-O 3.57Å; S591-F1285 VanDerWaalsContact CB-O 3.25Å; S591-F1285 WeakPolarHBondContact CB-O 3.1Å; S591-F1285 CarbonylContact O-C 3.34Å; S591-F1285 WeakPolarHBondContact O-CA 3.41Å; S591-F1285 WeakPolarHBondContact O-CB 3.46Å; S591-F1285 WeakPolarHBondContact O-CD1 3.39Å; S591-F1285 WeakPolarHBondContact O-CG 3.39Å; S591-F1285 VanDerWaalsContact O-O 3.09Å; T592-F1285 VanDerWaalsContact N-CD1 3.34Å; T592-F1285 VanDerWaalsContact N-CG 3.25Å; T592-F1285 PolarHBondContact N-O 3.23Å; T592-F1285 VanDerWaalsContact N-O 3.14Å; T592-F1285 WeakPolarHBondContact O-CA 3.49Å; T592-F1285 WeakPolarHBondContact O-CD2 3.36Å; T592-F1285 VanDerWaalsContact O-CE2 3.32Å; T592-F1285 WeakPolarHBondContact O-CE2 3.24Å; T592-F1285 PolarHBondContact OG1-O 2.81Å; D1281-F1285 WeakPolarHBondContact O-CB 3.49Å; D1281-F1285 WeakPolarHBondContact O-CD2 3.43Å; D1281-F1285 WeakPolarHBondContact O-CG 3.28Å; D1281-F1285 PolarHBondContact O-N 3.47Å; P1282-F1285 WeakPolarHBondContact O-CB 3.5Å; L1283-F1285 PolarHBondContact O-N 3.41Å; F1285-M1287 VanDerWaalsContact C-N 3.34Å; F1285-M1287 PolarHBondContact O-N 2.91Å; F1285-G1289 PolarHBondContact O-N 3.22Å |
| 1286 | A | 89.9 | Confident | 89 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 5% | 0.05 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A1222 V1226 P1282 L1283 G1289 Y1290 | A1222-A1286 HydrophobicContact CB-CB 3.78Å; V1226-A1286 HydrophobicContact CG2-CB 3.98Å; P1282-A1286 WeakPolarHBondContact O-CB 3.2Å; P1282-A1286 PolarHBondContact O-N 2.92Å; L1283-A1286 PolarHBondContact O-N 3.48Å; A1286-G1289 WeakPolarHBondContact O-CA 3.03Å; A1286-G1289 PolarHBondContact O-N 2.78Å; A1286-Y1290 HydrophobicContact CB-CD2 4.33Å; A1286-Y1290 HydrophobicContact CB-CE2 4.39Å; A1286-Y1290 WeakPolarHBondContact O-CD2 3.36Å; A1286-Y1290 PolarHBondContact O-N 3.05Å |
| 1287 | M | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -56.1 | -177.5 | -80.5 | 176.6 | 68.4 | 0 | 0 | 112.7 | I1219 A1222 L1283 Y1284 F1285 G1289 L1291 T1318 N1321 C1325 | I1219-M1287 HydrophobicContact CD1-CE 4.15Å; I1219-M1287 HydrophobicContact CG1-CE 4.19Å; A1222-M1287 HydrophobicContact CB-CB 4.4Å; A1222-M1287 HydrophobicContact CB-CG 3.77Å; L1283-M1287 HydrophobicContact CD1-CG 4.11Å; L1283-M1287 HydrophobicContact CD1-SD 4.12Å; L1283-M1287 HydrophobicContact CG-CG 4.42Å; L1283-M1287 HydrophobicContact CG-SD 3.97Å; L1283-M1287 VanDerWaalsContact O-CB 3.31Å; L1283-M1287 WeakPolarHBondContact O-CB 3.39Å; L1283-M1287 VanDerWaalsContact O-CG 3.23Å; L1283-M1287 WeakPolarHBondContact O-CG 3.33Å; L1283-M1287 PolarHBondContact O-N 3.3Å; Y1284-M1287 PolarHBondContact O-N 3.19Å; F1285-M1287 VanDerWaalsContact C-N 3.34Å; F1285-M1287 PolarHBondContact O-N 2.91Å; M1287-G1289 PolarHBondContact O-N 2.99Å; M1287-L1291 VanDerWaalsContact O-CB 3.24Å; M1287-L1291 WeakPolarHBondContact O-CB 3.19Å; M1287-L1291 WeakPolarHBondContact O-CD1 2.99Å; M1287-L1291 WeakPolarHBondContact O-CG 3.5Å; M1287-L1291 PolarHBondContact O-N 3.24Å; M1287-T1318 HydrophobicContact CB-CG2 3.67Å; M1287-T1318 HydrophobicContact CE-CG2 4.37Å; M1287-N1321 HydrophobicContact CE-CB 4.03Å; M1287-C1325 HydrophobicContact CE-CB 4.15Å; M1287-C1325 HydrophobicContact SD-CB 3.63Å |
| 1288 | Q | 91.3 | Very high | 89 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -25.1 | 175.9 | 168.3 | 172.9 | 98 | 0 | 0 | 111.5 | T592 S593 Y1284 K1292 A1314 Q1315 T1318 | T592-Q1288 VanDerWaalsContact CB-CG 3.46Å; T592-Q1288 HydrophobicContact CG2-CG 3.84Å; T592-Q1288 VanDerWaalsContact OG1-C 3.25Å; T592-Q1288 VanDerWaalsContact OG1-CB 3.28Å; T592-Q1288 WeakPolarHBondContact OG1-CB 3.39Å; T592-Q1288 WeakPolarHBondContact OG1-CG 3.07Å; S593-Q1288 WeakPolarHBondContact OG-CB 3.42Å; Y1284-Q1288 PolarHBondContact O-N 3.47Å; Q1288-K1292 HydrophobicContact CG-CD 3.7Å; Q1288-K1292 HydrophobicContact CG-CG 4.04Å; Q1288-K1292 VanDerWaalsContact O-CB 3.23Å; Q1288-K1292 WeakPolarHBondContact O-CB 3.4Å; Q1288-K1292 VanDerWaalsContact O-CG 3.27Å; Q1288-K1292 WeakPolarHBondContact O-CG 3.32Å; Q1288-K1292 PolarHBondContact O-N 2.84Å; Q1288-A1314 HydrophobicContact CG-CB 4.3Å; Q1288-Q1315 VanDerWaalsContact CD-OE1 3.27Å; Q1288-T1318 HydrophobicContact CB-CG2 4.48Å; Q1288-T1318 PolarHBondContact N-OG1 3.42Å |
| 1289 | G | 90.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -59.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S591 T592 F1285 A1286 M1287 K1292 Q1293 | S591-G1289 VanDerWaalsContact CB-CA 3.4Å; T592-G1289 PolarHBondContact OG1-N 2.83Å; F1285-G1289 PolarHBondContact O-N 3.22Å; A1286-G1289 WeakPolarHBondContact O-CA 3.03Å; A1286-G1289 PolarHBondContact O-N 2.78Å; M1287-G1289 PolarHBondContact O-N 2.99Å; G1289-K1292 PolarHBondContact O-N 3.3Å; G1289-Q1293 WeakPolarHBondContact O-CB 3.4Å; G1289-Q1293 PolarHBondContact O-N 2.85Å |
| 1290 | Y | 93.2 | Very high | 88.1 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.2 | -75.6 | -72.9 | 0 | 0 | 0 | 111.7 | A1218 Q1221 A1222 E1225 A1286 K1292 Q1293 H1294 | A1218-Y1290 VanDerWaalsContact O-CB 3.3Å; A1218-Y1290 WeakPolarHBondContact O-CB 3.03Å; Q1221-Y1290 HydrophobicContact CB-CD1 3.73Å; Q1221-Y1290 HydrophobicContact CB-CD2 4.18Å; Q1221-Y1290 HydrophobicContact CB-CE1 3.71Å; Q1221-Y1290 HydrophobicContact CB-CE2 4.16Å; Q1221-Y1290 HydrophobicContact CB-CG 3.98Å; Q1221-Y1290 HydrophobicContact CG-CE1 4.48Å; A1222-Y1290 HydrophobicContact CB-CD2 3.87Å; E1225-Y1290 VanDerWaalsContact OE2-CE2 3.24Å; E1225-Y1290 WeakPolarHBondContact OE2-CE2 3.44Å; E1225-Y1290 PolarHBondContact OE2-OH 3.28Å; A1286-Y1290 HydrophobicContact CB-CD2 4.33Å; A1286-Y1290 HydrophobicContact CB-CE2 4.39Å; A1286-Y1290 WeakPolarHBondContact O-CD2 3.36Å; A1286-Y1290 PolarHBondContact O-N 3.05Å; Y1290-K1292 PolarHBondContact O-N 3.49Å; Y1290-Q1293 PolarHBondContact O-N 3.16Å; Y1290-H1294 WeakPolarHBondContact O-CB 3.03Å; Y1290-H1294 PolarHBondContact O-CD2 3.2Å; Y1290-H1294 PolarHBondContact O-N 3.24Å |
| 1291 | L | 91.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.7 | -74.1 | 166.6 | 0 | 0 | 0 | 111.7 | I1215 A1218 M1287 L1295 A1314 L1317 T1318 | I1215-L1291 HydrophobicContact CB-CD2 4.45Å; I1215-L1291 HydrophobicContact CG2-CD2 4.1Å; A1218-L1291 HydrophobicContact CB-CD2 3.72Å; A1218-L1291 HydrophobicContact CB-CG 4.02Å; M1287-L1291 VanDerWaalsContact O-CB 3.24Å; M1287-L1291 WeakPolarHBondContact O-CB 3.19Å; M1287-L1291 WeakPolarHBondContact O-CD1 2.99Å; M1287-L1291 WeakPolarHBondContact O-CG 3.5Å; M1287-L1291 PolarHBondContact O-N 3.24Å; L1291-L1295 VanDerWaalsContact O-CB 3.28Å; L1291-L1295 WeakPolarHBondContact O-CB 3.13Å; L1291-L1295 WeakPolarHBondContact O-CG 3.02Å; L1291-L1295 PolarHBondContact O-N 3.19Å; L1291-A1314 HydrophobicContact CB-CB 3.76Å; L1291-L1317 HydrophobicContact CD1-CB 3.91Å; L1291-L1317 HydrophobicContact CD2-CD1 4.06Å; L1291-T1318 WeakPolarHBondContact CD1-OG1 2.92Å |
| 1292 | K | 91 | Very high | 86.9 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | 171.5 | -78.8 | 175.8 | 175 | 172.3 | 0 | 110.9 | Q1288 G1289 Y1290 H1294 L1295 Y1296 A1314 | Q1288-K1292 HydrophobicContact CG-CD 3.7Å; Q1288-K1292 HydrophobicContact CG-CG 4.04Å; Q1288-K1292 VanDerWaalsContact O-CB 3.23Å; Q1288-K1292 WeakPolarHBondContact O-CB 3.4Å; Q1288-K1292 VanDerWaalsContact O-CG 3.27Å; Q1288-K1292 WeakPolarHBondContact O-CG 3.32Å; Q1288-K1292 PolarHBondContact O-N 2.84Å; G1289-K1292 PolarHBondContact O-N 3.3Å; Y1290-K1292 PolarHBondContact O-N 3.49Å; K1292-H1294 PolarHBondContact O-N 2.94Å; K1292-L1295 PolarHBondContact O-N 3.08Å; K1292-Y1296 HydrophobicContact CB-CD2 4.09Å; K1292-Y1296 HydrophobicContact CB-CE2 4.01Å; K1292-Y1296 HydrophobicContact CG-CE2 4.4Å; K1292-Y1296 VanDerWaalsContact O-CB 3.29Å; K1292-Y1296 WeakPolarHBondContact O-CB 3.48Å; K1292-Y1296 WeakPolarHBondContact O-CD2 3.07Å; K1292-Y1296 PolarHBondContact O-N 3.18Å; K1292-A1314 HydrophobicContact CB-CB 4.49Å; K1292-A1314 HydrophobicContact CG-CB 3.6Å |
| 1293 | Q | 90.1 | Very high | 86.6 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.7 | -45.3 | -178.1 | -179.8 | 176.8 | -17.1 | 0 | 0 | 113 | G1289 Y1290 S1297 | G1289-Q1293 WeakPolarHBondContact O-CB 3.4Å; G1289-Q1293 PolarHBondContact O-N 2.85Å; Y1290-Q1293 PolarHBondContact O-N 3.16Å; Q1293-S1297 WeakPolarHBondContact O-CB 3.33Å; Q1293-S1297 PolarHBondContact O-N 3.24Å |
| 1294 | H | 89.5 | Confident | 86.1 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 15% | 0.148 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.4 | -38.9 | -180 | -82.8 | -72.3 | 0 | 0 | 0 | 113.1 | V1214 A1218 Q1221 Y1290 K1292 S1297 S1298 | V1214-H1294 HydrophobicContact CB-CB 4.27Å; V1214-H1294 HydrophobicContact CG1-CB 3.64Å; A1218-H1294 HydrophobicContact CB-CB 4.25Å; Q1221-H1294 PolarHBondContact OE1-NE2 3.04Å; Y1290-H1294 WeakPolarHBondContact O-CB 3.03Å; Y1290-H1294 PolarHBondContact O-CD2 3.2Å; Y1290-H1294 PolarHBondContact O-N 3.24Å; K1292-H1294 PolarHBondContact O-N 2.94Å; H1294-S1297 PolarHBondContact O-OG 2.62Å; H1294-S1298 PolarHBondContact O-N 3.29Å; H1294-S1298 PolarHBondContact O-OG 3.25Å |
| 1295 | L | 87.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 173.7 | -68.9 | 173.4 | 0 | 0 | 0 | 111.5 | L1204 F1205 L1211 L1291 K1292 S1298 Y1299 I1310 A1313 A1314 | L1204-L1295 HydrophobicContact CD2-CD1 4.1Å; L1204-L1295 HydrophobicContact CD2-CD2 4.12Å; F1205-L1295 HydrophobicContact CE1-CD2 4.04Å; F1205-L1295 HydrophobicContact CZ-CD2 4.34Å; L1211-L1295 HydrophobicContact CB-CD2 4.15Å; L1291-L1295 VanDerWaalsContact O-CB 3.28Å; L1291-L1295 WeakPolarHBondContact O-CB 3.13Å; L1291-L1295 WeakPolarHBondContact O-CG 3.02Å; L1291-L1295 PolarHBondContact O-N 3.19Å; K1292-L1295 PolarHBondContact O-N 3.08Å; L1295-S1298 WeakPolarHBondContact O-CB 3.46Å; L1295-S1298 PolarHBondContact O-N 3.27Å; L1295-Y1299 WeakPolarHBondContact O-CD2 3.22Å; L1295-I1310 HydrophobicContact CB-CG1 4.19Å; L1295-I1310 HydrophobicContact CB-CG2 3.76Å; L1295-I1310 HydrophobicContact CD1-CG2 4.46Å; L1295-A1313 HydrophobicContact CD1-CB 4.24Å; L1295-A1314 HydrophobicContact CD1-CB 4.21Å |
| 1296 | Y | 88.1 | Confident | 85.1 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.4 | -79.4 | -53.3 | 0 | 0 | 0 | 112.6 | K1292 S1298 Y1299 P1302 Q1307 I1310 | K1292-Y1296 HydrophobicContact CB-CD2 4.09Å; K1292-Y1296 HydrophobicContact CB-CE2 4.01Å; K1292-Y1296 HydrophobicContact CG-CE2 4.4Å; K1292-Y1296 VanDerWaalsContact O-CB 3.29Å; K1292-Y1296 WeakPolarHBondContact O-CB 3.48Å; K1292-Y1296 WeakPolarHBondContact O-CD2 3.07Å; K1292-Y1296 PolarHBondContact O-N 3.18Å; Y1296-S1298 PolarHBondContact O-N 3.2Å; Y1296-S1298 VanDerWaalsContact O-N 3.14Å; Y1296-Y1299 PolarHBondContact O-N 3.35Å; Y1296-Y1299 VanDerWaalsContact O-O 3.07Å; Y1296-P1302 HydrophobicContact CD1-CG 4.02Å; Y1296-P1302 HydrophobicContact CE1-CG 4.26Å; Y1296-Q1307 HydrophobicContact CE1-CG 4.19Å; Y1296-I1310 HydrophobicContact CD1-CD1 3.78Å; Y1296-I1310 HydrophobicContact CD1-CG2 4.05Å; Y1296-I1310 HydrophobicContact CD2-CG2 4.17Å; Y1296-I1310 HydrophobicContact CE1-CB 4.24Å; Y1296-I1310 HydrophobicContact CE1-CD1 3.99Å; Y1296-I1310 HydrophobicContact CE1-CG2 3.88Å; Y1296-I1310 HydrophobicContact CE2-CG2 4.01Å; Y1296-I1310 HydrophobicContact CG-CG2 4.18Å |
| 1297 | S | 84.6 | Confident | 84.9 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.1 | -23.5 | -179.9 | 74.6 | 0 | 0 | 0 | 0 | 113.1 | Q1293 H1294 Y1299 | Q1293-S1297 WeakPolarHBondContact O-CB 3.33Å; Q1293-S1297 PolarHBondContact O-N 3.24Å; H1294-S1297 PolarHBondContact O-OG 2.62Å; S1297-Y1299 VanDerWaalsContact C-N 3.28Å; S1297-Y1299 PolarHBondContact O-N 2.72Å |
| 1298 | S | 81.8 | Confident | 84.6 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.3 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 113.9 | H1294 L1295 Y1296 | H1294-S1298 PolarHBondContact O-N 3.29Å; H1294-S1298 PolarHBondContact O-OG 3.25Å; L1295-S1298 WeakPolarHBondContact O-CB 3.46Å; L1295-S1298 PolarHBondContact O-N 3.27Å; Y1296-S1298 PolarHBondContact O-N 3.2Å; Y1296-S1298 VanDerWaalsContact O-N 3.14Å |
| 1299 | Y | 79.2 | Confident | 84.3 | Confident | 37 Ų | 37 | 75 Ų | 75 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | trans | -118.5 | 114.9 | 178.1 | -74.9 | -88.5 | 0 | 0 | 0 | 111.7 | L1204 N1208 L1211 L1295 Y1296 S1297 N1301 P1302 Q1306 I1310 | L1204-Y1299 HydrophobicContact CD1-CE2 4.2Å; N1208-Y1299 PolarHBondContact ND2-OH 2.85Å; N1208-Y1299 VanDerWaalsContact ND2-OH 3.13Å; L1211-Y1299 HydrophobicContact CD1-CE2 3.68Å; L1211-Y1299 HydrophobicContact CD2-CE2 4.44Å; L1295-Y1299 WeakPolarHBondContact O-CD2 3.22Å; Y1296-Y1299 PolarHBondContact O-N 3.35Å; Y1296-Y1299 VanDerWaalsContact O-O 3.07Å; S1297-Y1299 VanDerWaalsContact C-N 3.28Å; S1297-Y1299 PolarHBondContact O-N 2.72Å; Y1299-N1301 PolarHBondContact O-N 3Å; Y1299-N1301 VanDerWaalsContact O-N 3.11Å; Y1299-P1302 HydrophobicContact CG-CB 4.3Å; Y1299-Q1306 HydrophobicContact CE1-CG 4.42Å; Y1299-I1310 HydrophobicContact CD2-CD1 3.84Å; Y1299-I1310 HydrophobicContact CE2-CD1 4.27Å | ||
| 1300 | R | 73.4 | Confident | 84.3 | Confident | 253 Ų | 253 | 74.4 Ų | 74.4 | 96% | 0.955 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -66.7 | -15.8 | -176.3 | -143.6 | -179.5 | -164.1 | -177 | 5.8 | 115.1 | ||
| 1301 | N | 75.7 | Confident | 84 | Confident | 156 Ų | 156 | 76.2 Ų | 76.2 | 83% | 0.834 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -171.8 | 90.8 | 169.6 | -91.6 | -35.1 | 0 | 0 | 0 | 107.2 | Y1299 | Y1299-N1301 PolarHBondContact O-N 3Å; Y1299-N1301 VanDerWaalsContact O-N 3.11Å |
| 1302 | P | 75.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | trans | -72.3 | 138.4 | -177.1 | 28.1 | -33.7 | 0 | 0 | 0 | 111.9 | Y1296 Y1299 Q1306 Q1307 I1310 | Y1296-P1302 HydrophobicContact CD1-CG 4.02Å; Y1296-P1302 HydrophobicContact CE1-CG 4.26Å; Y1299-P1302 HydrophobicContact CG-CB 4.3Å; P1302-Q1306 HydrophobicContact CB-CB 3.91Å; P1302-Q1307 HydrophobicContact CB-CG 4.01Å; P1302-Q1307 HydrophobicContact CG-CG 3.84Å; P1302-Q1307 PolarHBondContact O-NE2 3.45Å; P1302-I1310 HydrophobicContact CB-CD1 4.29Å | ||
| 1303 | S | 82 | Confident | 83.6 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 30% | 0.301 | 38% | 0.381 | S | S | . | . | trans | -64.2 | 160.1 | 172.5 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | E1305 Q1306 Q1307 | S1303-E1305 PolarHBondContact O-N 2.96Å; S1303-E1305 VanDerWaalsContact O-N 3.11Å; S1303-Q1306 CarbonylContact O-C 3.14Å; S1303-Q1306 WeakPolarHBondContact O-CA 3.47Å; S1303-Q1306 WeakPolarHBondContact O-CB 3.4Å; S1303-Q1306 PolarHBondContact O-N 3.27Å; S1303-Q1306 WeakPolarHBondContact OG-CG 3.32Å; S1303-Q1306 PolarHBondContact OG-N 3.43Å; S1303-Q1306 VanDerWaalsContact OG-N 3.15Å; S1303-Q1307 WeakPolarHBondContact O-CG 3.43Å; S1303-Q1307 PolarHBondContact O-N 3.07Å | ||
| 1304 | P | 79.8 | Confident | 83.6 | Confident | 98 Ų | 98 | 72.6 Ų | 72.6 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.1 | -28.7 | 177.5 | -26.2 | 35.6 | 0 | 0 | 0 | 113.9 | R1308 | P1304-R1308 WeakPolarHBondContact O-CG 3.38Å; P1304-R1308 PolarHBondContact O-N 2.91Å |
| 1305 | E | 80.6 | Confident | 83.6 | Confident | 146 Ų | 146 | 71.1 Ų | 71.1 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.7 | -49.3 | 172.8 | -171.6 | 169.4 | -148.4 | 0 | 0 | 111 | S1303 Q1307 R1308 M1309 | S1303-E1305 PolarHBondContact O-N 2.96Å; S1303-E1305 VanDerWaalsContact O-N 3.11Å; E1305-Q1307 VanDerWaalsContact C-N 3.27Å; E1305-Q1307 PolarHBondContact O-N 3.11Å; E1305-R1308 PolarHBondContact O-N 3.06Å; E1305-M1309 VanDerWaalsContact O-CG 3.27Å; E1305-M1309 WeakPolarHBondContact O-CG 3.46Å; E1305-M1309 PolarHBondContact O-N 3.11Å |
| 1306 | Q | 81.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 72.4 Ų | 72.4 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -34.6 | 173.4 | -71.4 | 168.1 | -17.5 | 0 | 0 | 112.5 | Y1299 P1302 S1303 M1309 I1310 | Y1299-Q1306 HydrophobicContact CE1-CG 4.42Å; P1302-Q1306 HydrophobicContact CB-CB 3.91Å; S1303-Q1306 CarbonylContact O-C 3.14Å; S1303-Q1306 WeakPolarHBondContact O-CA 3.47Å; S1303-Q1306 WeakPolarHBondContact O-CB 3.4Å; S1303-Q1306 PolarHBondContact O-N 3.27Å; S1303-Q1306 WeakPolarHBondContact OG-CG 3.32Å; S1303-Q1306 PolarHBondContact OG-N 3.43Å; S1303-Q1306 VanDerWaalsContact OG-N 3.15Å; Q1306-M1309 PolarHBondContact O-N 3.5Å; Q1306-I1310 WeakPolarHBondContact O-CB 3.33Å; Q1306-I1310 WeakPolarHBondContact O-CD1 3.43Å; Q1306-I1310 WeakPolarHBondContact O-CG1 3.44Å; Q1306-I1310 PolarHBondContact O-N 3.24Å |
| 1307 | Q | 85.6 | Confident | 83.7 | Confident | 81 Ų | 81 | 69 Ų | 69 | 38% | 0.379 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 175.1 | -69.1 | 173.9 | 20.8 | 0 | 0 | 110.9 | Y1296 P1302 S1303 E1305 M1309 I1310 E1311 | Y1296-Q1307 HydrophobicContact CE1-CG 4.19Å; P1302-Q1307 HydrophobicContact CB-CG 4.01Å; P1302-Q1307 HydrophobicContact CG-CG 3.84Å; P1302-Q1307 PolarHBondContact O-NE2 3.45Å; S1303-Q1307 WeakPolarHBondContact O-CG 3.43Å; S1303-Q1307 PolarHBondContact O-N 3.07Å; E1305-Q1307 VanDerWaalsContact C-N 3.27Å; E1305-Q1307 PolarHBondContact O-N 3.11Å; Q1307-M1309 PolarHBondContact O-N 2.86Å; Q1307-I1310 PolarHBondContact O-N 2.94Å; Q1307-E1311 WeakPolarHBondContact O-CG 3.5Å; Q1307-E1311 PolarHBondContact O-N 3.03Å |
| 1308 | R | 84.8 | Confident | 84 | Confident | 176 Ų | 176 | 64.7 Ų | 64.7 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 173.7 | -73.5 | 176.8 | 175.5 | 176.6 | -2 | 111.9 | P1304 E1305 I1310 E1311 E1312 | P1304-R1308 WeakPolarHBondContact O-CG 3.38Å; P1304-R1308 PolarHBondContact O-N 2.91Å; E1305-R1308 PolarHBondContact O-N 3.06Å; R1308-I1310 VanDerWaalsContact C-N 3.3Å; R1308-I1310 PolarHBondContact O-N 3.4Å; R1308-E1311 PolarHBondContact O-N 3.09Å; R1308-E1312 VanDerWaalsContact O-CB 3.26Å; R1308-E1312 WeakPolarHBondContact O-CB 3.35Å; R1308-E1312 PolarHBondContact O-N 3.29Å |
| 1309 | M | 85 | Confident | 84.2 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 176.7 | -66.3 | 175.3 | 83.3 | 0 | 0 | 113 | I1203 L1204 I1207 E1305 Q1306 Q1307 A1313 | I1203-M1309 HydrophobicContact CB-CE 3.72Å; I1203-M1309 HydrophobicContact CG2-CE 3.61Å; L1204-M1309 HydrophobicContact CB-CB 4.39Å; L1204-M1309 HydrophobicContact CB-CE 4.3Å; L1204-M1309 HydrophobicContact CD1-CB 4.23Å; I1207-M1309 HydrophobicContact CD1-CE 3.84Å; I1207-M1309 HydrophobicContact CG1-CE 4.5Å; E1305-M1309 VanDerWaalsContact O-CG 3.27Å; E1305-M1309 WeakPolarHBondContact O-CG 3.46Å; E1305-M1309 PolarHBondContact O-N 3.11Å; Q1306-M1309 PolarHBondContact O-N 3.5Å; Q1307-M1309 PolarHBondContact O-N 2.86Å; M1309-A1313 WeakPolarHBondContact O-CB 3.3Å; M1309-A1313 PolarHBondContact O-N 2.9Å |
| 1310 | I | 88.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.3 | -43.1 | 175.3 | -73 | 164.7 | 0 | 0 | 0 | 110.8 | L1204 L1295 Y1296 Y1299 P1302 Q1306 Q1307 R1308 A1314 | L1204-I1310 HydrophobicContact CD1-CG1 4.38Å; L1204-I1310 HydrophobicContact CD2-CG1 3.86Å; L1295-I1310 HydrophobicContact CB-CG1 4.19Å; L1295-I1310 HydrophobicContact CB-CG2 3.76Å; L1295-I1310 HydrophobicContact CD1-CG2 4.46Å; Y1296-I1310 HydrophobicContact CD1-CD1 3.78Å; Y1296-I1310 HydrophobicContact CD1-CG2 4.05Å; Y1296-I1310 HydrophobicContact CD2-CG2 4.17Å; Y1296-I1310 HydrophobicContact CE1-CB 4.24Å; Y1296-I1310 HydrophobicContact CE1-CD1 3.99Å; Y1296-I1310 HydrophobicContact CE1-CG2 3.88Å; Y1296-I1310 HydrophobicContact CE2-CG2 4.01Å; Y1296-I1310 HydrophobicContact CG-CG2 4.18Å; Y1299-I1310 HydrophobicContact CD2-CD1 3.84Å; Y1299-I1310 HydrophobicContact CE2-CD1 4.27Å; P1302-I1310 HydrophobicContact CB-CD1 4.29Å; Q1306-I1310 WeakPolarHBondContact O-CB 3.33Å; Q1306-I1310 WeakPolarHBondContact O-CD1 3.43Å; Q1306-I1310 WeakPolarHBondContact O-CG1 3.44Å; Q1306-I1310 PolarHBondContact O-N 3.24Å; Q1307-I1310 PolarHBondContact O-N 2.94Å; R1308-I1310 VanDerWaalsContact C-N 3.3Å; R1308-I1310 PolarHBondContact O-N 3.4Å; I1310-A1314 WeakPolarHBondContact O-CB 3.26Å; I1310-A1314 PolarHBondContact O-N 3.02Å |
| 1311 | E | 88.1 | Confident | 85.2 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.5 | -69 | -179.9 | 161.5 | 0 | 0 | 111.8 | Q1307 R1308 Q1315 | Q1307-E1311 WeakPolarHBondContact O-CG 3.5Å; Q1307-E1311 PolarHBondContact O-N 3.03Å; R1308-E1311 PolarHBondContact O-N 3.09Å; E1311-Q1315 WeakPolarHBondContact O-CB 3.4Å; E1311-Q1315 PolarHBondContact O-N 2.97Å; E1311-Q1315 VanDerWaalsContact O-N 3.07Å |
| 1312 | E | 85.8 | Confident | 85.8 | Confident | 88 Ų | 88 | 45.8 Ų | 45.8 | 41% | 0.411 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 177.2 | -175.5 | 174 | -146.1 | 0 | 0 | 112 | R1308 Q1315 I1316 | R1308-E1312 VanDerWaalsContact O-CB 3.26Å; R1308-E1312 WeakPolarHBondContact O-CB 3.35Å; R1308-E1312 PolarHBondContact O-N 3.29Å; E1312-Q1315 PolarHBondContact O-N 3.09Å; E1312-I1316 HydrophobicContact CG-CD1 3.82Å; E1312-I1316 VanDerWaalsContact O-CG1 3.28Å; E1312-I1316 WeakPolarHBondContact O-CG1 3.42Å; E1312-I1316 PolarHBondContact O-N 3.07Å |
| 1313 | A | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -48 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1202 L1204 L1295 M1309 Q1315 I1316 L1317 | I1202-A1313 HydrophobicContact CG2-CB 3.46Å; I1202-A1313 VanDerWaalsContact CG2-CB 3.46Å; L1204-A1313 HydrophobicContact CB-CB 4.18Å; L1204-A1313 HydrophobicContact CD2-CB 3.72Å; L1295-A1313 HydrophobicContact CD1-CB 4.24Å; M1309-A1313 WeakPolarHBondContact O-CB 3.3Å; M1309-A1313 PolarHBondContact O-N 2.9Å; A1313-Q1315 PolarHBondContact O-N 2.86Å; A1313-I1316 PolarHBondContact O-N 3.41Å; A1313-L1317 WeakPolarHBondContact O-CB 3.29Å; A1313-L1317 VanDerWaalsContact O-CG 3.31Å; A1313-L1317 WeakPolarHBondContact O-CG 3.31Å; A1313-L1317 PolarHBondContact O-N 3.28Å |
| 1314 | A | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -30.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1288 L1291 K1292 L1295 I1310 T1318 | Q1288-A1314 HydrophobicContact CG-CB 4.3Å; L1291-A1314 HydrophobicContact CB-CB 3.76Å; K1292-A1314 HydrophobicContact CB-CB 4.49Å; K1292-A1314 HydrophobicContact CG-CB 3.6Å; L1295-A1314 HydrophobicContact CD1-CB 4.21Å; I1310-A1314 WeakPolarHBondContact O-CB 3.26Å; I1310-A1314 PolarHBondContact O-N 3.02Å; A1314-T1318 PolarHBondContact O-N 3.48Å; A1314-T1318 PolarHBondContact O-OG1 3.14Å |
| 1315 | Q | 89.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71 | -57.5 | 174.3 | -176.2 | 55 | 52.3 | 0 | 0 | 112.6 | V594 G595 S596 Q1288 E1311 E1312 A1313 L1317 T1318 D1319 | V594-Q1315 VanDerWaalsContact C-OE1 3.29Å; V594-Q1315 PolarHBondContact O-OE1 3.31Å; G595-Q1315 VanDerWaalsContact C-NE2 3.26Å; G595-Q1315 PolarHBondContact O-NE2 3.03Å; S596-Q1315 VanDerWaalsContact N-CG 3.27Å; S596-Q1315 VanDerWaalsContact OG-CB 3.29Å; S596-Q1315 WeakPolarHBondContact OG-CB 3.45Å; S596-Q1315 WeakPolarHBondContact OG-CG 3.32Å; Q1288-Q1315 VanDerWaalsContact CD-OE1 3.27Å; E1311-Q1315 WeakPolarHBondContact O-CB 3.4Å; E1311-Q1315 PolarHBondContact O-N 2.97Å; E1311-Q1315 VanDerWaalsContact O-N 3.07Å; E1312-Q1315 PolarHBondContact O-N 3.09Å; A1313-Q1315 PolarHBondContact O-N 2.86Å; Q1315-L1317 PolarHBondContact O-N 2.91Å; Q1315-T1318 CarbonylContact O-C 3.56Å; Q1315-T1318 WeakPolarHBondContact O-CA 3.3Å; Q1315-T1318 WeakPolarHBondContact O-CB 3.32Å; Q1315-T1318 PolarHBondContact O-N 2.75Å; Q1315-D1319 WeakPolarHBondContact CG-OD2 3.31Å; Q1315-D1319 PolarHBondContact NE2-OD1 3.14Å; Q1315-D1319 PolarHBondContact NE2-OD2 2.75Å; Q1315-D1319 PolarHBondContact O-N 3.42Å |
| 1316 | I | 87.2 | Confident | 87.5 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 15% | 0.149 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.7 | -42.6 | -177.9 | -68.3 | 165.8 | 0 | 0 | 0 | 110 | N1199 I1202 E1312 A1313 T1318 D1319 D1320 | N1199-I1316 HydrophobicContact CB-CG2 4.16Å; I1202-I1316 HydrophobicContact CD1-CB 4.1Å; I1202-I1316 HydrophobicContact CD1-CG2 3.84Å; I1202-I1316 HydrophobicContact CG1-CB 4.35Å; I1202-I1316 HydrophobicContact CG1-CD1 4.3Å; I1202-I1316 HydrophobicContact CG1-CG2 4.04Å; E1312-I1316 HydrophobicContact CG-CD1 3.82Å; E1312-I1316 VanDerWaalsContact O-CG1 3.28Å; E1312-I1316 WeakPolarHBondContact O-CG1 3.42Å; E1312-I1316 PolarHBondContact O-N 3.07Å; A1313-I1316 PolarHBondContact O-N 3.41Å; I1316-T1318 VanDerWaalsContact C-N 3.25Å; I1316-T1318 PolarHBondContact O-N 2.9Å; I1316-D1319 PolarHBondContact O-N 2.81Å; I1316-D1320 VanDerWaalsContact CG2-OD2 3.23Å; I1316-D1320 WeakPolarHBondContact CG2-OD2 3.13Å; I1316-D1320 WeakPolarHBondContact O-CB 3.23Å; I1316-D1320 PolarHBondContact O-N 3.06Å |
| 1317 | L | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -30.3 | 174 | -73.3 | 176 | 0 | 0 | 0 | 114.2 | V1198 I1202 F1205 I1215 L1291 A1313 Q1315 N1321 | V1198-L1317 HydrophobicContact CG1-CD2 4.33Å; I1202-L1317 HydrophobicContact CD1-CD2 4.07Å; I1202-L1317 HydrophobicContact CD1-CG 3.95Å; F1205-L1317 HydrophobicContact CE2-CD1 3.84Å; F1205-L1317 HydrophobicContact CE2-CD2 4.39Å; F1205-L1317 HydrophobicContact CE2-CG 4.32Å; F1205-L1317 HydrophobicContact CZ-CD1 3.79Å; I1215-L1317 HydrophobicContact CD1-CD1 3.72Å; I1215-L1317 HydrophobicContact CD1-CD2 4.09Å; I1215-L1317 HydrophobicContact CG1-CD1 3.81Å; I1215-L1317 HydrophobicContact CG2-CD1 4.26Å; L1291-L1317 HydrophobicContact CD1-CB 3.91Å; L1291-L1317 HydrophobicContact CD2-CD1 4.06Å; A1313-L1317 WeakPolarHBondContact O-CB 3.29Å; A1313-L1317 VanDerWaalsContact O-CG 3.31Å; A1313-L1317 WeakPolarHBondContact O-CG 3.31Å; A1313-L1317 PolarHBondContact O-N 3.28Å; Q1315-L1317 PolarHBondContact O-N 2.91Å; L1317-N1321 VanDerWaalsContact O-CB 3.26Å; L1317-N1321 WeakPolarHBondContact O-CB 3.26Å; L1317-N1321 PolarHBondContact O-N 2.91Å; L1317-N1321 PolarHBondContact O-ND2 3.11Å |
| 1318 | T | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -82.7 | -32 | 177.8 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | S593 Y1284 M1287 Q1288 L1291 A1314 Q1315 I1316 G1322 | S593-T1318 WeakPolarHBondContact OG-CG2 3.23Å; Y1284-T1318 HydrophobicContact CD1-CG2 3.99Å; Y1284-T1318 HydrophobicContact CG-CG2 4.42Å; M1287-T1318 HydrophobicContact CB-CG2 3.67Å; M1287-T1318 HydrophobicContact CE-CG2 4.37Å; Q1288-T1318 HydrophobicContact CB-CG2 4.48Å; Q1288-T1318 PolarHBondContact N-OG1 3.42Å; L1291-T1318 WeakPolarHBondContact CD1-OG1 2.92Å; A1314-T1318 PolarHBondContact O-N 3.48Å; A1314-T1318 PolarHBondContact O-OG1 3.14Å; Q1315-T1318 CarbonylContact O-C 3.56Å; Q1315-T1318 WeakPolarHBondContact O-CA 3.3Å; Q1315-T1318 WeakPolarHBondContact O-CB 3.32Å; Q1315-T1318 PolarHBondContact O-N 2.75Å; I1316-T1318 VanDerWaalsContact C-N 3.25Å; I1316-T1318 PolarHBondContact O-N 2.9Å; T1318-G1322 WeakPolarHBondContact O-CA 3.29Å; T1318-G1322 PolarHBondContact O-N 2.69Å |
| 1319 | D | 85.6 | Confident | 88.1 | Confident | 61 Ų | 61 | 18.4 Ų | 18.4 | 33% | 0.326 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -68 | -47.7 | 171.6 | -61.6 | -42.1 | 0 | 0 | 0 | 111 | G595 S596 Q1315 I1316 N1321 | G595-D1319 VanDerWaalsContact C-OD2 3.31Å; S596-D1319 PolarHBondContact N-OD2 3.39Å; Q1315-D1319 WeakPolarHBondContact CG-OD2 3.31Å; Q1315-D1319 PolarHBondContact NE2-OD1 3.14Å; Q1315-D1319 PolarHBondContact NE2-OD2 2.75Å; Q1315-D1319 PolarHBondContact O-N 3.42Å; I1316-D1319 PolarHBondContact O-N 2.81Å; D1319-N1321 PolarHBondContact O-N 3.27Å |
| 1320 | D | 85.4 | Confident | 88.2 | Confident | 38 Ų | 38 | 17.2 Ų | 17.2 | 20% | 0.203 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | -178.5 | -68 | -20.8 | 0 | 0 | 0 | 112.2 | N1199 I1316 | N1199-D1320 WeakPolarHBondContact CB-OD2 3.15Å; N1199-D1320 PolarHBondContact ND2-OD2 3.48Å; I1316-D1320 VanDerWaalsContact CG2-OD2 3.23Å; I1316-D1320 WeakPolarHBondContact CG2-OD2 3.13Å; I1316-D1320 WeakPolarHBondContact O-CB 3.23Å; I1316-D1320 PolarHBondContact O-N 3.06Å |
| 1321 | N | 89.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -112.3 | -12.5 | -172.6 | -61.6 | -88.5 | 0 | 0 | 0 | 115.7 | L1196 E1197 M1287 L1317 D1319 E1323 L1324 C1325 | L1196-N1321 WeakPolarHBondContact CA-OD1 3.03Å; L1196-N1321 WeakPolarHBondContact CB-OD1 3.44Å; L1196-N1321 HydrophobicContact CD2-CB 3.89Å; L1196-N1321 VanDerWaalsContact CD2-OD1 3.23Å; L1196-N1321 WeakPolarHBondContact CD2-OD1 3.41Å; E1197-N1321 PolarHBondContact N-OD1 3.13Å; E1197-N1321 PolarHBondContact O-ND2 2.87Å; E1197-N1321 PolarHBondContact O-OD1 2.84Å; M1287-N1321 HydrophobicContact CE-CB 4.03Å; L1317-N1321 VanDerWaalsContact O-CB 3.26Å; L1317-N1321 WeakPolarHBondContact O-CB 3.26Å; L1317-N1321 PolarHBondContact O-N 2.91Å; L1317-N1321 PolarHBondContact O-ND2 3.11Å; D1319-N1321 PolarHBondContact O-N 3.27Å; N1321-E1323 VanDerWaalsContact C-N 3.28Å; N1321-E1323 PolarHBondContact O-N 3.14Å; N1321-L1324 PolarHBondContact O-N 3.03Å; N1321-C1325 PolarHBondContact O-N 3.47Å; N1321-C1325 PolarHBondContact O-SG 2.85Å |
| 1322 | G | 88.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.8 | -34.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1318 L1326 | T1318-G1322 WeakPolarHBondContact O-CA 3.29Å; T1318-G1322 PolarHBondContact O-N 2.69Å; G1322-L1326 WeakPolarHBondContact O-CB 3.46Å; G1322-L1326 PolarHBondContact O-N 3.15Å |
| 1323 | E | 85.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 11.1 Ų | 11.1 | 13% | 0.131 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -70.5 | -42.5 | 177.7 | -166.6 | -170.1 | 145.2 | 0 | 0 | 111.8 | P1178 R1179 F1180 Y1284 N1321 L1326 C1327 | P1178-E1323 VanDerWaalsContact CA-OE1 3.32Å; P1178-E1323 WeakPolarHBondContact CA-OE1 3.36Å; R1179-E1323 WeakPolarHBondContact CB-OE1 3.27Å; R1179-E1323 PolarHBondContact N-OE1 3.19Å; F1180-E1323 HydrophobicContact CE2-CB 4.34Å; F1180-E1323 HydrophobicContact CE2-CG 4.39Å; Y1284-E1323 PolarHBondContact OH-N 3.09Å; Y1284-E1323 VanDerWaalsContact OH-N 3.15Å; N1321-E1323 VanDerWaalsContact C-N 3.28Å; N1321-E1323 PolarHBondContact O-N 3.14Å; E1323-L1326 PolarHBondContact O-N 2.84Å; E1323-C1327 PolarHBondContact O-N 2.94Å; E1323-C1327 PolarHBondContact O-SG 3.34Å |
| 1324 | L | 88.1 | Confident | 88.1 | Confident | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 175.4 | 174.2 | 60.1 | 0 | 0 | 0 | 111.2 | F1180 L1192 M1195 L1196 N1321 L1326 C1327 Y1328 | F1180-L1324 HydrophobicContact CD1-CD1 3.91Å; F1180-L1324 HydrophobicContact CD2-CB 4.23Å; F1180-L1324 HydrophobicContact CD2-CD1 4.31Å; F1180-L1324 HydrophobicContact CE1-CB 4.32Å; F1180-L1324 HydrophobicContact CE1-CD1 3.87Å; F1180-L1324 HydrophobicContact CE1-CG 4.48Å; F1180-L1324 HydrophobicContact CE2-CB 3.59Å; F1180-L1324 HydrophobicContact CE2-CD1 4.29Å; F1180-L1324 HydrophobicContact CE2-CG 4.49Å; F1180-L1324 HydrophobicContact CG-CD1 4.14Å; F1180-L1324 HydrophobicContact CZ-CB 3.64Å; F1180-L1324 HydrophobicContact CZ-CD1 4.07Å; F1180-L1324 HydrophobicContact CZ-CG 4.27Å; L1192-L1324 HydrophobicContact CD1-CD1 4.09Å; L1192-L1324 HydrophobicContact CD1-CD2 3.97Å; L1192-L1324 HydrophobicContact CD1-CG 3.57Å; M1195-L1324 HydrophobicContact CB-CD1 4.17Å; M1195-L1324 HydrophobicContact CB-CD2 3.64Å; M1195-L1324 HydrophobicContact CE-CD1 4.06Å; M1195-L1324 WeakPolarHBondContact O-CD2 3.29Å; M1195-L1324 HydrophobicContact SD-CD1 4.3Å; L1196-L1324 HydrophobicContact CD2-CD2 4.22Å; N1321-L1324 PolarHBondContact O-N 3.03Å; L1324-L1326 VanDerWaalsContact C-N 3.3Å; L1324-L1326 PolarHBondContact O-N 3.09Å; L1324-C1327 WeakPolarHBondContact O-CB 3.14Å; L1324-C1327 PolarHBondContact O-N 2.87Å; L1324-Y1328 PolarHBondContact O-N 3.41Å |
| 1325 | C | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 176.2 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | L1223 L1283 M1287 N1321 Y1328 V1329 | L1223-C1325 HydrophobicContact CD2-CB 4.23Å; L1283-C1325 VanDerWaalsContact CD2-C 3.42Å; L1283-C1325 HydrophobicContact CD2-CB 3.86Å; L1283-C1325 HydrophobicContact CG-CB 4.47Å; M1287-C1325 HydrophobicContact CE-CB 4.15Å; M1287-C1325 HydrophobicContact SD-CB 3.63Å; N1321-C1325 PolarHBondContact O-N 3.47Å; N1321-C1325 PolarHBondContact O-SG 2.85Å; C1325-Y1328 WeakPolarHBondContact O-CB 3.19Å; C1325-Y1328 PolarHBondContact O-N 3.13Å; C1325-V1329 WeakPolarHBondContact O-CG2 3.34Å; C1325-V1329 PolarHBondContact O-N 2.94Å |
| 1326 | L | 89.1 | Confident | 87.8 | Confident | 7 Ų | 7 | 17.5 Ų | 17.5 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 174 | -175.6 | 59.5 | 0 | 0 | 0 | 111.6 | C1279 R1280 L1283 G1322 E1323 L1324 Y1328 V1329 M1330 | C1279-L1326 HydrophobicContact CB-CD1 4.46Å; R1280-L1326 HydrophobicContact CB-CD1 4.16Å; R1280-L1326 HydrophobicContact CB-CD2 3.73Å; R1280-L1326 HydrophobicContact CG-CD2 3.79Å; L1283-L1326 HydrophobicContact CD2-CB 4.06Å; L1283-L1326 HydrophobicContact CD2-CD1 4.36Å; G1322-L1326 WeakPolarHBondContact O-CB 3.46Å; G1322-L1326 PolarHBondContact O-N 3.15Å; E1323-L1326 PolarHBondContact O-N 2.84Å; L1324-L1326 VanDerWaalsContact C-N 3.3Å; L1324-L1326 PolarHBondContact O-N 3.09Å; L1326-Y1328 VanDerWaalsContact C-N 3.3Å; L1326-Y1328 PolarHBondContact O-N 3.42Å; L1326-V1329 PolarHBondContact O-N 2.92Å; L1326-V1329 VanDerWaalsContact O-N 3.15Å; L1326-M1330 HydrophobicContact CD1-CG 4.3Å; L1326-M1330 HydrophobicContact CD1-SD 4.49Å; L1326-M1330 HydrophobicContact CG-CE 4Å; L1326-M1330 HydrophobicContact CG-CG 4.37Å; L1326-M1330 HydrophobicContact CG-SD 4.09Å; L1326-M1330 VanDerWaalsContact O-CG 3.28Å; L1326-M1330 WeakPolarHBondContact O-CG 3.33Å; L1326-M1330 PolarHBondContact O-N 2.9Å |
| 1327 | C | 87.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.4 | -44.1 | 173.7 | -67.7 | 0 | 0 | 0 | 0 | 111.2 | F1180 T1185 E1323 L1324 M1330 K1331 F1401 | F1180-C1327 HydrophobicContact CB-CB 4.44Å; T1185-C1327 HydrophobicContact CG2-CB 3.9Å; E1323-C1327 PolarHBondContact O-N 2.94Å; E1323-C1327 PolarHBondContact O-SG 3.34Å; L1324-C1327 WeakPolarHBondContact O-CB 3.14Å; L1324-C1327 PolarHBondContact O-N 2.87Å; C1327-M1330 HydrophobicContact CB-CE 4.31Å; C1327-M1330 PolarHBondContact O-N 2.6Å; C1327-K1331 PolarHBondContact O-N 2.98Å; C1327-F1401 HydrophobicContact CB-CD1 4.09Å; C1327-F1401 HydrophobicContact CB-CE1 3.66Å; C1327-F1401 HydrophobicContact CB-CZ 4.29Å; C1327-F1401 WeakPolarHBondContact O-CE1 3.46Å; C1327-F1401 WeakPolarHBondContact O-CZ 3.45Å |
| 1328 | Y | 89.9 | Confident | 87.7 | Confident | 17 Ų | 17 | 16.8 Ų | 16.8 | 7% | 0.067 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 172.6 | 175.3 | -92 | 0 | 0 | 0 | 112.6 | P1186 V1187 I1189 L1192 L1223 I1227 L1324 C1325 L1326 M1330 K1331 Q1332 | P1186-Y1328 WeakPolarHBondContact O-CD2 3.22Å; V1187-Y1328 WeakPolarHBondContact O-CE2 3.22Å; I1189-Y1328 HydrophobicContact CB-CE2 4.36Å; I1189-Y1328 WeakPolarHBondContact CB-OH 3.47Å; L1192-Y1328 HydrophobicContact CB-CD2 3.97Å; L1192-Y1328 HydrophobicContact CB-CE2 4.4Å; L1192-Y1328 HydrophobicContact CB-CG 4.38Å; L1192-Y1328 HydrophobicContact CD2-CD1 3.95Å; L1192-Y1328 HydrophobicContact CD2-CD2 4.15Å; L1192-Y1328 HydrophobicContact CD2-CE1 4.49Å; L1192-Y1328 HydrophobicContact CD2-CG 3.77Å; L1192-Y1328 HydrophobicContact CG-CG 4.48Å; L1223-Y1328 HydrophobicContact CD1-CD1 4.31Å; L1223-Y1328 HydrophobicContact CD1-CE1 4.45Å; L1223-Y1328 HydrophobicContact CD2-CD1 3.97Å; L1223-Y1328 HydrophobicContact CD2-CE1 4.5Å; I1227-Y1328 HydrophobicContact CD1-CE1 4.07Å; L1324-Y1328 PolarHBondContact O-N 3.41Å; C1325-Y1328 WeakPolarHBondContact O-CB 3.19Å; C1325-Y1328 PolarHBondContact O-N 3.13Å; L1326-Y1328 VanDerWaalsContact C-N 3.3Å; L1326-Y1328 PolarHBondContact O-N 3.42Å; Y1328-M1330 VanDerWaalsContact C-N 3.34Å; Y1328-M1330 PolarHBondContact O-N 3.24Å; Y1328-K1331 PolarHBondContact O-N 2.72Å; Y1328-Q1332 VanDerWaalsContact O-CB 3.23Å; Y1328-Q1332 WeakPolarHBondContact O-CB 3.33Å; Y1328-Q1332 PolarHBondContact O-N 2.86Å |
| 1329 | V | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | L1223 I1227 A1275 C1279 L1283 C1325 L1326 S1333 | L1223-V1329 HydrophobicContact CD2-CG2 3.42Å; L1223-V1329 VanDerWaalsContact CD2-CG2 3.42Å; I1227-V1329 HydrophobicContact CD1-CG2 4.05Å; I1227-V1329 HydrophobicContact CG1-CB 4.48Å; I1227-V1329 HydrophobicContact CG1-CG1 4.12Å; I1227-V1329 HydrophobicContact CG1-CG2 3.85Å; A1275-V1329 HydrophobicContact CB-CG1 4.46Å; C1279-V1329 HydrophobicContact CB-CG1 3.66Å; L1283-V1329 HydrophobicContact CD2-CG2 3.82Å; C1325-V1329 WeakPolarHBondContact O-CG2 3.34Å; C1325-V1329 PolarHBondContact O-N 2.94Å; L1326-V1329 PolarHBondContact O-N 2.92Å; L1326-V1329 VanDerWaalsContact O-N 3.15Å; V1329-S1333 VanDerWaalsContact O-CB 3.31Å; V1329-S1333 WeakPolarHBondContact O-CB 3.05Å; V1329-S1333 PolarHBondContact O-N 3.31Å; V1329-S1333 PolarHBondContact O-OG 3.4Å |
| 1330 | M | 87.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -48.4 | 178.4 | -68.1 | 179.7 | -56.1 | 0 | 0 | 111.2 | S1272 A1275 M1276 L1326 C1327 Y1328 S1333 A1334 P1399 F1401 | S1272-M1330 PolarHBondContact OG-O 2.83Å; A1275-M1330 HydrophobicContact CB-CB 4.29Å; A1275-M1330 HydrophobicContact CB-CG 3.88Å; M1276-M1330 HydrophobicContact CB-SD 3.66Å; M1276-M1330 HydrophobicContact CE-SD 4.11Å; L1326-M1330 HydrophobicContact CD1-CG 4.3Å; L1326-M1330 HydrophobicContact CD1-SD 4.49Å; L1326-M1330 HydrophobicContact CG-CE 4Å; L1326-M1330 HydrophobicContact CG-CG 4.37Å; L1326-M1330 HydrophobicContact CG-SD 4.09Å; L1326-M1330 VanDerWaalsContact O-CG 3.28Å; L1326-M1330 WeakPolarHBondContact O-CG 3.33Å; L1326-M1330 PolarHBondContact O-N 2.9Å; C1327-M1330 HydrophobicContact CB-CE 4.31Å; C1327-M1330 PolarHBondContact O-N 2.6Å; Y1328-M1330 VanDerWaalsContact C-N 3.34Å; Y1328-M1330 PolarHBondContact O-N 3.24Å; M1330-S1333 PolarHBondContact O-N 2.93Å; M1330-A1334 WeakPolarHBondContact O-CB 3.29Å; M1330-A1334 PolarHBondContact O-N 3.04Å; M1330-P1399 WeakPolarHBondContact CE-O 3.43Å; M1330-F1401 HydrophobicContact CB-CE2 3.54Å; M1330-F1401 HydrophobicContact CB-CZ 3.73Å; M1330-F1401 HydrophobicContact CE-CD2 4.13Å; M1330-F1401 HydrophobicContact CE-CE2 3.82Å; M1330-F1401 HydrophobicContact CE-CZ 4.16Å; M1330-F1401 HydrophobicContact SD-CE2 4.44Å |
| 1331 | K | 87.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 20.4 Ų | 20.4 | 9% | 0.091 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 178.4 | -169.5 | 170.6 | -171.4 | 173 | 0 | 111.5 | Y1182 S1183 T1185 V1187 C1327 Y1328 S1333 A1334 E1335 F1401 | Y1182-K1331 HydrophobicContact CD2-CG 4.5Å; Y1182-K1331 HydrophobicContact CE1-CD 4.44Å; Y1182-K1331 HydrophobicContact CE1-CG 4.26Å; Y1182-K1331 HydrophobicContact CE2-CB 4.12Å; Y1182-K1331 HydrophobicContact CE2-CG 3.9Å; Y1182-K1331 WeakPolarHBondContact O-CD 3.13Å; Y1182-K1331 VanDerWaalsContact O-CE 3.24Å; Y1182-K1331 WeakPolarHBondContact O-CE 3.44Å; Y1182-K1331 PolarHBondContact O-NZ 2.94Å; S1183-K1331 PolarHBondContact O-NZ 2.78Å; S1183-K1331 VanDerWaalsContact O-NZ 3.17Å; T1185-K1331 WeakPolarHBondContact O-CD 3.46Å; T1185-K1331 WeakPolarHBondContact O-CE 3.32Å; T1185-K1331 PolarHBondContact O-NZ 3.36Å; V1187-K1331 HydrophobicContact CG2-CD 3.85Å; V1187-K1331 HydrophobicContact CG2-CG 4.13Å; C1327-K1331 PolarHBondContact O-N 2.98Å; Y1328-K1331 PolarHBondContact O-N 2.72Å; K1331-S1333 VanDerWaalsContact C-N 3.26Å; K1331-S1333 PolarHBondContact O-N 3.39Å; K1331-A1334 PolarHBondContact O-N 3.44Å; K1331-E1335 HydrophobicContact CG-CG 4.18Å; K1331-E1335 PolarHBondContact O-N 2.75Å; K1331-F1401 HydrophobicContact CB-CE1 4.35Å; K1331-F1401 HydrophobicContact CB-CZ 3.9Å |
| 1332 | Q | 87.7 | Confident | 87.7 | Confident | 25 Ų | 25 | 22.6 Ų | 22.6 | 12% | 0.117 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.4 | -29.8 | 178.1 | -178.8 | 61 | 104.7 | 0 | 0 | 112.8 | Y1328 | Y1328-Q1332 VanDerWaalsContact O-CB 3.23Å; Y1328-Q1332 WeakPolarHBondContact O-CB 3.33Å; Y1328-Q1332 PolarHBondContact O-N 2.86Å |
| 1333 | S | 87.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.4 | -42.7 | 173.6 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | Q1235 V1329 M1330 K1331 L1337 | Q1235-S1333 PolarHBondContact NE2-O 2.79Å; V1329-S1333 VanDerWaalsContact O-CB 3.31Å; V1329-S1333 WeakPolarHBondContact O-CB 3.05Å; V1329-S1333 PolarHBondContact O-N 3.31Å; V1329-S1333 PolarHBondContact O-OG 3.4Å; M1330-S1333 PolarHBondContact O-N 2.93Å; K1331-S1333 VanDerWaalsContact C-N 3.26Å; K1331-S1333 PolarHBondContact O-N 3.39Å; S1333-L1337 WeakPolarHBondContact O-CB 3.44Å; S1333-L1337 PolarHBondContact O-N 3Å; S1333-L1337 VanDerWaalsContact O-N 3.11Å |
| 1334 | A | 85.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -55.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1182 S1272 M1330 K1331 R1336 L1337 I1338 | Y1182-A1334 HydrophobicContact CE2-CB 4.19Å; Y1182-A1334 VanDerWaalsContact OH-CB 3.31Å; Y1182-A1334 WeakPolarHBondContact OH-CB 3.3Å; S1272-A1334 WeakPolarHBondContact OG-CB 3.32Å; M1330-A1334 WeakPolarHBondContact O-CB 3.29Å; M1330-A1334 PolarHBondContact O-N 3.04Å; K1331-A1334 PolarHBondContact O-N 3.44Å; A1334-R1336 VanDerWaalsContact C-N 3.29Å; A1334-R1336 PolarHBondContact O-N 3.07Å; A1334-L1337 WeakPolarHBondContact O-CA 3.31Å; A1334-L1337 WeakPolarHBondContact O-CB 3.44Å; A1334-L1337 PolarHBondContact O-N 3.35Å; A1334-I1338 WeakPolarHBondContact O-CG1 3.35Å; A1334-I1338 PolarHBondContact O-N 3.48Å |
| 1335 | E | 86.7 | Confident | 87.9 | Confident | 45 Ų | 45 | 28.9 Ų | 28.9 | 21% | 0.21 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -40.4 | -177.3 | -60.4 | -58.9 | 155.6 | 0 | 0 | 111.4 | Y1182 V1187 K1331 L1337 I1338 E1339 | Y1182-E1335 WeakPolarHBondContact CE1-OE1 3.44Å; Y1182-E1335 VanDerWaalsContact CZ-OE1 3.25Å; Y1182-E1335 VanDerWaalsContact OH-CD 3.3Å; Y1182-E1335 PolarHBondContact OH-OE1 2.94Å; V1187-E1335 HydrophobicContact CG2-CG 4.29Å; K1331-E1335 HydrophobicContact CG-CG 4.18Å; K1331-E1335 PolarHBondContact O-N 2.75Å; E1335-L1337 VanDerWaalsContact C-N 3.32Å; E1335-L1337 PolarHBondContact O-N 2.9Å; E1335-I1338 WeakPolarHBondContact O-CB 3.47Å; E1335-I1338 PolarHBondContact O-N 2.91Å; E1335-I1338 WeakPolarHBondContact OE2-CD1 3.44Å; E1335-E1339 PolarHBondContact O-N 3.39Å |
| 1336 | R | 87.6 | Confident | 87.8 | Confident | 90 Ų | 90 | 32.2 Ų | 32.2 | 34% | 0.34 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.1 | -29.3 | 173.7 | -80.5 | 179.2 | 180 | 159.2 | 5.8 | 114.1 | A1334 E1339 E1340 | A1334-R1336 VanDerWaalsContact C-N 3.29Å; A1334-R1336 PolarHBondContact O-N 3.07Å; R1336-E1339 PolarHBondContact O-N 3.06Å; R1336-E1340 PolarHBondContact O-N 3.36Å |
| 1337 | L | 88.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.7 | -35.4 | 173.4 | 175.7 | 59.4 | 0 | 0 | 0 | 110.9 | Q1235 P1238 L1239 I1242 G1267 S1333 A1334 E1335 E1340 L1341 | Q1235-L1337 WeakPolarHBondContact O-CD1 3.2Å; P1238-L1337 HydrophobicContact CB-CD1 4.14Å; P1238-L1337 HydrophobicContact CB-CD2 3.38Å; P1238-L1337 HydrophobicContact CB-CG 4.43Å; P1238-L1337 HydrophobicContact CG-CD2 4.24Å; L1239-L1337 HydrophobicContact CB-CD1 3.77Å; L1239-L1337 HydrophobicContact CD1-CD1 4.15Å; I1242-L1337 HydrophobicContact CD1-CD2 4.06Å; G1267-L1337 WeakPolarHBondContact O-CD2 3.34Å; S1333-L1337 WeakPolarHBondContact O-CB 3.44Å; S1333-L1337 PolarHBondContact O-N 3Å; S1333-L1337 VanDerWaalsContact O-N 3.11Å; A1334-L1337 WeakPolarHBondContact O-CA 3.31Å; A1334-L1337 WeakPolarHBondContact O-CB 3.44Å; A1334-L1337 PolarHBondContact O-N 3.35Å; E1335-L1337 VanDerWaalsContact C-N 3.32Å; E1335-L1337 PolarHBondContact O-N 2.9Å; L1337-E1340 PolarHBondContact O-N 3.45Å; L1337-L1341 WeakPolarHBondContact O-CB 3.47Å; L1337-L1341 PolarHBondContact O-N 3.03Å |
| 1338 | I | 86.1 | Confident | 87.6 | Confident | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 170.6 | -54.2 | 168.4 | 0 | 0 | 0 | 109.8 | H1264 R1268 A1334 E1335 E1340 L1341 D1342 | H1264-I1338 HydrophobicContact CB-CG2 4.33Å; R1268-I1338 HydrophobicContact CG-CD1 3.64Å; R1268-I1338 HydrophobicContact CG-CG1 4.4Å; A1334-I1338 WeakPolarHBondContact O-CG1 3.35Å; A1334-I1338 PolarHBondContact O-N 3.48Å; E1335-I1338 WeakPolarHBondContact O-CB 3.47Å; E1335-I1338 PolarHBondContact O-N 2.91Å; E1335-I1338 WeakPolarHBondContact OE2-CD1 3.44Å; I1338-E1340 PolarHBondContact O-N 2.95Å; I1338-L1341 PolarHBondContact O-N 3.1Å; I1338-L1341 VanDerWaalsContact O-N 3.16Å; I1338-D1342 PolarHBondContact O-N 3.03Å |
| 1339 | E | 86.3 | Confident | 87.5 | Confident | 124 Ų | 124 | 35 Ų | 35 | 58% | 0.579 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -56 | -47.7 | 175.4 | -69.3 | 175.4 | 161.4 | 0 | 0 | 112.2 | E1335 R1336 L1341 N1343 | E1335-E1339 PolarHBondContact O-N 3.39Å; R1336-E1339 PolarHBondContact O-N 3.06Å; E1339-L1341 VanDerWaalsContact C-N 3.34Å; E1339-L1341 PolarHBondContact O-N 3.06Å; E1339-N1343 PolarHBondContact O-ND2 3.1Å |
| 1340 | E | 87.9 | Confident | 87.3 | Confident | 52 Ų | 52 | 39 Ų | 39 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -32.5 | 177.4 | -73.2 | -176.3 | -162.1 | 0 | 0 | 112.6 | R1231 L1239 R1336 L1337 I1338 A1344 | R1231-E1340 IonicContact CZ-OE1 3.36Å; R1231-E1340 IonicContact NE-OE1 3.54Å; R1231-E1340 IonicContact NH2-OE1 2.65Å; R1231-E1340 PolarHBondContact NH2-OE1 3.36Å; L1239-E1340 HydrophobicContact CD1-CB 4.06Å; L1239-E1340 HydrophobicContact CD2-CB 4.16Å; R1336-E1340 PolarHBondContact O-N 3.36Å; L1337-E1340 PolarHBondContact O-N 3.45Å; I1338-E1340 PolarHBondContact O-N 2.95Å; E1340-A1344 PolarHBondContact O-N 3.36Å; E1340-A1344 VanDerWaalsContact O-N 3.12Å |
| 1341 | L | 87.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -78 | -40.2 | -176.2 | -176.9 | 65.5 | 0 | 0 | 0 | 113.8 | L1239 I1242 A1263 L1337 I1338 E1339 N1343 A1344 L1345 | L1239-L1341 VanDerWaalsContact CD1-CA 3.47Å; L1239-L1341 HydrophobicContact CD1-CB 3.79Å; L1239-L1341 HydrophobicContact CD1-CD1 3.89Å; L1239-L1341 HydrophobicContact CD1-CG 4.45Å; I1242-L1341 HydrophobicContact CB-CD1 4.18Å; I1242-L1341 HydrophobicContact CB-CD2 4.32Å; I1242-L1341 HydrophobicContact CD1-CD2 4.32Å; I1242-L1341 HydrophobicContact CG2-CD1 3.86Å; I1242-L1341 HydrophobicContact CG2-CD2 3.53Å; I1242-L1341 HydrophobicContact CG2-CG 4.35Å; A1263-L1341 HydrophobicContact CB-CD2 3.65Å; A1263-L1341 HydrophobicContact CB-CG 4.07Å; A1263-L1341 WeakPolarHBondContact O-CD2 3.47Å; L1337-L1341 WeakPolarHBondContact O-CB 3.47Å; L1337-L1341 PolarHBondContact O-N 3.03Å; I1338-L1341 PolarHBondContact O-N 3.1Å; I1338-L1341 VanDerWaalsContact O-N 3.16Å; E1339-L1341 VanDerWaalsContact C-N 3.34Å; E1339-L1341 PolarHBondContact O-N 3.06Å; L1341-N1343 PolarHBondContact O-N 3.1Å; L1341-A1344 PolarHBondContact O-N 3.42Å; L1341-A1344 VanDerWaalsContact O-N 3.1Å; L1341-L1345 HydrophobicContact CD1-CD1 3.82Å; L1341-L1345 HydrophobicContact CD1-CG 4.05Å; L1341-L1345 HydrophobicContact CG-CD1 4.03Å; L1341-L1345 HydrophobicContact CG-CG 4.48Å; L1341-L1345 PolarHBondContact O-N 3Å |
| 1342 | D | 89.2 | Confident | 87 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.7 | -33.5 | 172.7 | -85.4 | -18 | 0 | 0 | 0 | 111.6 | H1264 I1338 S1346 Y1349 | H1264-D1342 IonicContact CD2-OD1 3.95Å; H1264-D1342 PolarHBondContact CD2-OD1 2.89Å; H1264-D1342 IonicContact CD2-OD2 2.59Å; H1264-D1342 IonicContact CE1-OD2 2.63Å; H1264-D1342 IonicContact NE2-OD1 2.65Å; H1264-D1342 PolarHBondContact NE2-OD1 2.89Å; H1264-D1342 IonicContact NE2-OD2 2.7Å; H1264-D1342 PolarHBondContact NE2-OD2 2.85Å; I1338-D1342 PolarHBondContact O-N 3.03Å; D1342-S1346 WeakPolarHBondContact O-CB 3.38Å; D1342-S1346 PolarHBondContact O-N 2.89Å; D1342-Y1349 HydrophobicContact CB-CE2 4.47Å; D1342-Y1349 WeakPolarHBondContact OD1-CE2 3.47Å; D1342-Y1349 PolarHBondContact OD1-OH 3.37Å |
| 1343 | N | 89.5 | Confident | 86.8 | Confident | 132 Ų | 132 | 45.6 Ų | 45.6 | 71% | 0.706 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67 | -37.3 | 171.7 | -79.9 | -73.2 | 0 | 0 | 0 | 112.1 | E1339 L1341 | E1339-N1343 PolarHBondContact O-ND2 3.1Å; L1341-N1343 PolarHBondContact O-N 3.1Å |
| 1344 | A | 87.2 | Confident | 86.4 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.3 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1239 R1247 E1340 L1341 | L1239-A1344 HydrophobicContact CD1-CB 4.29Å; R1247-A1344 PolarHBondContact NH2-O 2.81Å; E1340-A1344 PolarHBondContact O-N 3.36Å; E1340-A1344 VanDerWaalsContact O-N 3.12Å; L1341-A1344 PolarHBondContact O-N 3.42Å; L1341-A1344 VanDerWaalsContact O-N 3.1Å |
| 1345 | L | 89.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -94.2 | -5.4 | -176.8 | -64.7 | -179.6 | 0 | 0 | 0 | 114.6 | E1243 L1246 M1259 A1263 L1341 A1347 D1348 Y1349 | E1243-L1345 HydrophobicContact CG-CD2 4.16Å; L1246-L1345 HydrophobicContact CD1-CD1 3.86Å; M1259-L1345 HydrophobicContact CE-CD1 4.19Å; M1259-L1345 HydrophobicContact CE-CD2 3.8Å; A1263-L1345 HydrophobicContact CB-CD1 3.67Å; L1341-L1345 HydrophobicContact CD1-CD1 3.82Å; L1341-L1345 HydrophobicContact CD1-CG 4.05Å; L1341-L1345 HydrophobicContact CG-CD1 4.03Å; L1341-L1345 HydrophobicContact CG-CG 4.48Å; L1341-L1345 PolarHBondContact O-N 3Å; L1345-A1347 PolarHBondContact O-N 3.43Å; L1345-A1347 VanDerWaalsContact O-N 3.09Å; L1345-D1348 CarbonylContact O-C 3.56Å; L1345-D1348 WeakPolarHBondContact O-CA 3.4Å; L1345-D1348 WeakPolarHBondContact O-CB 3.3Å; L1345-D1348 PolarHBondContact O-N 3Å; L1345-Y1349 HydrophobicContact CB-CD1 4.27Å; L1345-Y1349 HydrophobicContact CB-CE1 3.73Å; L1345-Y1349 HydrophobicContact CB-CE2 4.13Å; L1345-Y1349 HydrophobicContact CD1-CE1 4.23Å; L1345-Y1349 PolarHBondContact O-N 2.86Å |
| 1346 | S | 88.7 | Confident | 85.4 | Confident | 70 Ų | 70 | 52 Ų | 52 | 49% | 0.49 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -44.9 | -43.8 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 114.2 | D1342 E1350 | D1342-S1346 WeakPolarHBondContact O-CB 3.38Å; D1342-S1346 PolarHBondContact O-N 2.89Å; S1346-E1350 PolarHBondContact O-N 3.2Å |
| 1347 | A | 85.5 | Confident | 84.9 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 53% | 0.529 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70 | -33.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1345 E1350 M1351 | L1345-A1347 PolarHBondContact O-N 3.43Å; L1345-A1347 VanDerWaalsContact O-N 3.09Å; A1347-E1350 PolarHBondContact O-N 3.31Å; A1347-M1351 WeakPolarHBondContact O-CE 3.5Å; A1347-M1351 WeakPolarHBondContact O-CG 3.28Å; A1347-M1351 PolarHBondContact O-N 2.91Å |
| 1348 | D | 85.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -76.8 | -30.7 | 178.6 | -58.2 | -65.1 | 0 | 0 | 0 | 111.9 | R1247 M1259 L1345 M1351 R1352 R1366 | R1247-D1348 IonicContact CZ-OD2 3.47Å; R1247-D1348 IonicContact NE-OD1 2.76Å; R1247-D1348 PolarHBondContact NE-OD1 3.27Å; R1247-D1348 IonicContact NE-OD2 3.71Å; R1247-D1348 PolarHBondContact NE-OD2 2.78Å; R1247-D1348 IonicContact NH2-OD2 3.65Å; R1247-D1348 PolarHBondContact NH2-OD2 3.38Å; M1259-D1348 HydrophobicContact CE-CB 4.09Å; M1259-D1348 HydrophobicContact SD-CB 4.09Å; L1345-D1348 CarbonylContact O-C 3.56Å; L1345-D1348 WeakPolarHBondContact O-CA 3.4Å; L1345-D1348 WeakPolarHBondContact O-CB 3.3Å; L1345-D1348 PolarHBondContact O-N 3Å; D1348-M1351 VanDerWaalsContact OD1-CE 3.31Å; D1348-M1351 WeakPolarHBondContact OD1-CE 3.35Å; D1348-R1352 PolarHBondContact O-N 3.49Å; D1348-R1352 PolarHBondContact O-NH1 3.2Å; D1348-R1366 IonicContact OD1-CZ 3.6Å; D1348-R1366 IonicContact OD1-NH1 3.58Å; D1348-R1366 PolarHBondContact OD1-NH1 3.3Å; D1348-R1366 IonicContact OD1-NH2 3.72Å; D1348-R1366 PolarHBondContact OD1-NH2 3.44Å |
| 1349 | Y | 88.1 | Confident | 83.6 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 166.6 | -56.8 | -26.9 | 0 | 0 | 0 | 110.7 | M1259 M1260 A1263 D1342 L1345 M1351 R1352 R1353 | M1259-Y1349 HydrophobicContact CB-CE1 4.4Å; M1259-Y1349 HydrophobicContact CG-CE1 4.26Å; M1259-Y1349 HydrophobicContact SD-CD1 4.01Å; M1259-Y1349 HydrophobicContact SD-CE1 4.1Å; M1260-Y1349 HydrophobicContact CB-CE1 3.86Å; M1260-Y1349 HydrophobicContact CB-CE2 4.44Å; M1260-Y1349 HydrophobicContact CG-CE1 4.48Å; M1260-Y1349 HydrophobicContact CG-CE2 4.25Å; A1263-Y1349 WeakPolarHBondContact CB-OH 3.36Å; D1342-Y1349 HydrophobicContact CB-CE2 4.47Å; D1342-Y1349 WeakPolarHBondContact OD1-CE2 3.47Å; D1342-Y1349 PolarHBondContact OD1-OH 3.37Å; L1345-Y1349 HydrophobicContact CB-CD1 4.27Å; L1345-Y1349 HydrophobicContact CB-CE1 3.73Å; L1345-Y1349 HydrophobicContact CB-CE2 4.13Å; L1345-Y1349 HydrophobicContact CD1-CE1 4.23Å; L1345-Y1349 PolarHBondContact O-N 2.86Å; Y1349-M1351 PolarHBondContact O-N 3.19Å; Y1349-R1352 WeakPolarHBondContact O-CB 3.47Å; Y1349-R1352 PolarHBondContact O-N 3.36Å; Y1349-R1352 VanDerWaalsContact O-N 3.16Å; Y1349-R1353 PolarHBondContact O-N 3.03Å |
| 1350 | E | 85.7 | Confident | 82.7 | Confident | 83 Ų | 83 | 57 Ų | 57 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | -178.9 | -169.2 | 64.3 | -164.8 | 0 | 0 | 112.4 | S1346 A1347 R1352 R1353 I1354 | S1346-E1350 PolarHBondContact O-N 3.2Å; A1347-E1350 PolarHBondContact O-N 3.31Å; E1350-R1352 VanDerWaalsContact C-N 3.3Å; E1350-R1352 PolarHBondContact O-N 3Å; E1350-R1353 WeakPolarHBondContact O-CB 3.14Å; E1350-R1353 PolarHBondContact O-N 3.18Å; E1350-R1353 WeakPolarHBondContact OE2-CD 3.29Å; E1350-R1353 IonicContact OE2-CZ 2.72Å; E1350-R1353 IonicContact OE2-NE 2.67Å; E1350-R1353 IonicContact OE2-NH1 3.14Å; E1350-R1353 PolarHBondContact OE2-NH1 3.21Å; E1350-I1354 HydrophobicContact CG-CD1 4.15Å; E1350-I1354 WeakPolarHBondContact O-CB 3.45Å; E1350-I1354 VanDerWaalsContact O-CG1 3.28Å; E1350-I1354 WeakPolarHBondContact O-CG1 3.28Å; E1350-I1354 PolarHBondContact O-N 3.49Å |
| 1351 | M | 82.6 | Confident | 81.3 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 173.9 | -74.8 | -174.4 | -69.7 | 0 | 0 | 113.1 | A1347 D1348 Y1349 A1355 F1362 | A1347-M1351 WeakPolarHBondContact O-CE 3.5Å; A1347-M1351 WeakPolarHBondContact O-CG 3.28Å; A1347-M1351 PolarHBondContact O-N 2.91Å; D1348-M1351 VanDerWaalsContact OD1-CE 3.31Å; D1348-M1351 WeakPolarHBondContact OD1-CE 3.35Å; Y1349-M1351 PolarHBondContact O-N 3.19Å; M1351-A1355 WeakPolarHBondContact O-CB 3.15Å; M1351-A1355 PolarHBondContact O-N 3.13Å; M1351-F1362 HydrophobicContact CB-CE2 4.08Å |
| 1352 | R | 85 | Confident | 80.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.7 | -42 | 171.3 | -75.5 | 174.5 | -176.9 | 77.3 | -2.2 | 111.7 | Y1250 D1253 E1256 M1259 D1348 Y1349 E1350 I1354 A1355 R1356 F1362 | Y1250-R1352 PolarHBondContact O-NH2 3.14Å; D1253-R1352 WeakPolarHBondContact O-CD 3.38Å; D1253-R1352 PolarHBondContact O-NE 2.95Å; E1256-R1352 HydrophobicContact CB-CB 3.99Å; M1259-R1352 PolarHBondContact SD-NH1 3.03Å; D1348-R1352 PolarHBondContact O-N 3.49Å; D1348-R1352 PolarHBondContact O-NH1 3.2Å; Y1349-R1352 WeakPolarHBondContact O-CB 3.47Å; Y1349-R1352 PolarHBondContact O-N 3.36Å; Y1349-R1352 VanDerWaalsContact O-N 3.16Å; E1350-R1352 VanDerWaalsContact C-N 3.3Å; E1350-R1352 PolarHBondContact O-N 3Å; R1352-I1354 VanDerWaalsContact C-N 3.32Å; R1352-I1354 PolarHBondContact O-N 3.4Å; R1352-A1355 PolarHBondContact O-N 2.92Å; R1352-R1356 VanDerWaalsContact O-CB 3.23Å; R1352-R1356 WeakPolarHBondContact O-CB 3.2Å; R1352-R1356 PolarHBondContact O-N 3.42Å; R1352-F1362 HydrophobicContact CB-CD2 4.41Å; R1352-F1362 HydrophobicContact CG-CD1 4.14Å; R1352-F1362 HydrophobicContact CG-CD2 3.62Å; R1352-F1362 HydrophobicContact CG-CE1 4.19Å; R1352-F1362 HydrophobicContact CG-CE2 3.65Å; R1352-F1362 HydrophobicContact CG-CG 3.87Å; R1352-F1362 HydrophobicContact CG-CZ 3.95Å; R1352-F1362 VanDerWaalsContact CZ-CE1 3.47Å; R1352-F1362 VanDerWaalsContact NH2-CE1 3.33Å |
| 1353 | R | 83.2 | Confident | 79.4 | Confident | 114 Ų | 114 | 62 Ų | 62 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.5 | -46.5 | 173.3 | -164.8 | 173.4 | -67.5 | 150.8 | -4.3 | 111.9 | E1256 Y1349 E1350 S1357 | E1256-R1353 IonicContact OE1-CZ 3.16Å; E1256-R1353 IonicContact OE1-NE 3.5Å; E1256-R1353 PolarHBondContact OE1-NE 2.85Å; E1256-R1353 IonicContact OE1-NH2 2.72Å; E1256-R1353 PolarHBondContact OE1-NH2 3.06Å; E1256-R1353 WeakPolarHBondContact OE2-CA 3.48Å; E1256-R1353 WeakPolarHBondContact OE2-CB 3.35Å; E1256-R1353 WeakPolarHBondContact OE2-CG 3.29Å; E1256-R1353 PolarHBondContact OE2-N 3.18Å; E1256-R1353 IonicContact OE2-NE 2.68Å; Y1349-R1353 PolarHBondContact O-N 3.03Å; E1350-R1353 WeakPolarHBondContact O-CB 3.14Å; E1350-R1353 PolarHBondContact O-N 3.18Å; E1350-R1353 WeakPolarHBondContact OE2-CD 3.29Å; E1350-R1353 IonicContact OE2-CZ 2.72Å; E1350-R1353 IonicContact OE2-NE 2.67Å; E1350-R1353 IonicContact OE2-NH1 3.14Å; E1350-R1353 PolarHBondContact OE2-NH1 3.21Å; R1353-S1357 WeakPolarHBondContact O-CB 3.22Å; R1353-S1357 PolarHBondContact O-N 2.6Å; R1353-S1357 PolarHBondContact O-OG 2.87Å |
| 1354 | I | 80.2 | Confident | 78.3 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -55.8 | 175.5 | -69.8 | 165.2 | 0 | 0 | 0 | 110.3 | E1350 R1352 R1356 S1357 E1358 | E1350-I1354 HydrophobicContact CG-CD1 4.15Å; E1350-I1354 WeakPolarHBondContact O-CB 3.45Å; E1350-I1354 VanDerWaalsContact O-CG1 3.28Å; E1350-I1354 WeakPolarHBondContact O-CG1 3.28Å; E1350-I1354 PolarHBondContact O-N 3.49Å; R1352-I1354 VanDerWaalsContact C-N 3.32Å; R1352-I1354 PolarHBondContact O-N 3.4Å; I1354-R1356 VanDerWaalsContact C-N 3.28Å; I1354-R1356 PolarHBondContact O-N 3.07Å; I1354-S1357 CarbonylContact O-C 3.59Å; I1354-S1357 WeakPolarHBondContact O-CA 3.35Å; I1354-S1357 PolarHBondContact O-N 3.43Å; I1354-S1357 PolarHBondContact O-OG 3.21Å; I1354-E1358 HydrophobicContact CG2-CG 4.32Å; I1354-E1358 WeakPolarHBondContact CG2-OE2 3.1Å; I1354-E1358 WeakPolarHBondContact O-CB 3.32Å; I1354-E1358 WeakPolarHBondContact O-CG 3.46Å; I1354-E1358 PolarHBondContact O-N 3.11Å |
| 1355 | A | 77.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.1 | -41.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | M1351 R1352 E1358 G1359 R1360 F1362 | M1351-A1355 WeakPolarHBondContact O-CB 3.15Å; M1351-A1355 PolarHBondContact O-N 3.13Å; R1352-A1355 PolarHBondContact O-N 2.92Å; A1355-E1358 CarbonylContact O-C 3.48Å; A1355-E1358 PolarHBondContact O-N 3.02Å; A1355-G1359 PolarHBondContact O-N 2.78Å; A1355-R1360 HydrophobicContact CB-CG 4.03Å; A1355-R1360 WeakPolarHBondContact O-CG 3.45Å; A1355-R1360 PolarHBondContact O-N 2.72Å; A1355-F1362 HydrophobicContact CB-CB 4.15Å; A1355-F1362 HydrophobicContact CB-CD2 3.96Å |
| 1356 | R | 73.3 | Confident | 76.3 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 175.3 | -175.2 | 163.5 | 64.2 | 146.3 | 3.4 | 112.4 | E1256 R1352 I1354 E1358 G1359 | E1256-R1356 IonicContact OE1-NH2 3.75Å; E1256-R1356 IonicContact OE2-CZ 2.78Å; E1256-R1356 IonicContact OE2-NE 3.6Å; E1256-R1356 IonicContact OE2-NH2 3.67Å; E1256-R1356 PolarHBondContact OE2-NH2 3.33Å; R1352-R1356 VanDerWaalsContact O-CB 3.23Å; R1352-R1356 WeakPolarHBondContact O-CB 3.2Å; R1352-R1356 PolarHBondContact O-N 3.42Å; I1354-R1356 VanDerWaalsContact C-N 3.28Å; I1354-R1356 PolarHBondContact O-N 3.07Å; R1356-E1358 VanDerWaalsContact C-N 3.34Å; R1356-G1359 PolarHBondContact O-N 2.71Å |
| 1357 | S | 76.8 | Confident | 74.8 | Confident | 99 Ų | 99 | 68.3 Ų | 68.3 | 69% | 0.692 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.8 | -30 | 173.5 | 76.9 | 0 | 0 | 0 | 0 | 113.3 | R1353 I1354 G1359 | R1353-S1357 WeakPolarHBondContact O-CB 3.22Å; R1353-S1357 PolarHBondContact O-N 2.6Å; R1353-S1357 PolarHBondContact O-OG 2.87Å; I1354-S1357 CarbonylContact O-C 3.59Å; I1354-S1357 WeakPolarHBondContact O-CA 3.35Å; I1354-S1357 PolarHBondContact O-N 3.43Å; I1354-S1357 PolarHBondContact O-OG 3.21Å; S1357-G1359 VanDerWaalsContact C-N 3.26Å |
| 1358 | E | 79.7 | Confident | 72.9 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.3 | 172.3 | -66.8 | 174.7 | 141.3 | 0 | 0 | 112.6 | G528 N529 I1354 A1355 R1356 R1360 | G528-E1358 CarbonylContact C-O 3.37Å; G528-E1358 WeakPolarHBondContact CA-O 3.25Å; N529-E1358 PolarHBondContact N-O 3.04Å; N529-E1358 VanDerWaalsContact N-O 3.08Å; I1354-E1358 HydrophobicContact CG2-CG 4.32Å; I1354-E1358 WeakPolarHBondContact CG2-OE2 3.1Å; I1354-E1358 WeakPolarHBondContact O-CB 3.32Å; I1354-E1358 WeakPolarHBondContact O-CG 3.46Å; I1354-E1358 PolarHBondContact O-N 3.11Å; A1355-E1358 CarbonylContact O-C 3.48Å; A1355-E1358 PolarHBondContact O-N 3.02Å; R1356-E1358 VanDerWaalsContact C-N 3.34Å; E1358-R1360 HydrophobicContact CB-CG 4.17Å; E1358-R1360 PolarHBondContact O-N 2.87Å; E1358-R1360 VanDerWaalsContact O-N 3.09Å; E1358-R1360 IonicContact OE2-CZ 2.68Å; E1358-R1360 IonicContact OE2-NE 4Å; E1358-R1360 PolarHBondContact OE2-NE 2.99Å; E1358-R1360 IonicContact OE2-NH2 3.84Å; E1358-R1360 PolarHBondContact OE2-NH2 2.7Å |
| 1359 | G | 66.8 | Low | 71 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 6.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N529 A1355 R1356 S1357 | N529-G1359 WeakPolarHBondContact CA-O 3.28Å; N529-G1359 WeakPolarHBondContact CB-O 3.15Å; N529-G1359 VanDerWaalsContact N-C 3.33Å; N529-G1359 PolarHBondContact N-O 3.2Å; A1355-G1359 PolarHBondContact O-N 2.78Å; R1356-G1359 PolarHBondContact O-N 2.71Å; S1357-G1359 VanDerWaalsContact C-N 3.26Å |
| 1360 | R | 68.2 | Low | 69.2 | Low | 119 Ų | 119 | 81.2 Ų | 81.2 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 150.4 | -178.3 | 60.5 | 171.3 | 165.4 | 119.8 | -0.7 | 111.5 | A1355 E1358 F1362 | A1355-R1360 HydrophobicContact CB-CG 4.03Å; A1355-R1360 WeakPolarHBondContact O-CG 3.45Å; A1355-R1360 PolarHBondContact O-N 2.72Å; E1358-R1360 HydrophobicContact CB-CG 4.17Å; E1358-R1360 PolarHBondContact O-N 2.87Å; E1358-R1360 VanDerWaalsContact O-N 3.09Å; E1358-R1360 IonicContact OE2-CZ 2.68Å; E1358-R1360 IonicContact OE2-NE 4Å; E1358-R1360 PolarHBondContact OE2-NE 2.99Å; E1358-R1360 IonicContact OE2-NH2 3.84Å; E1358-R1360 PolarHBondContact OE2-NH2 2.7Å; R1360-F1362 PolarHBondContact O-N 3.28Å |
| 1361 | P | 57.6 | Low | 67.5 | Low | 109 Ų | 109 | 81.4 Ų | 81.4 | 71% | 0.708 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 138.5 | 163.6 | 26.7 | -34.1 | 0 | 0 | 0 | 109.6 | ||
| 1362 | F | 71 | Confident | 65.9 | Low | 12 Ų | 12 | 85.3 Ų | 85.3 | 5% | 0.053 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 128.9 | 174.2 | 177.5 | -90.2 | 0 | 0 | 0 | 109.2 | A1251 T1252 D1253 M1351 R1352 A1355 R1360 D1364 | A1251-F1362 WeakPolarHBondContact O-CE1 3.5Å; T1252-F1362 CarbonylContact C-O 3.44Å; T1252-F1362 WeakPolarHBondContact CA-O 3.3Å; D1253-F1362 VanDerWaalsContact O-CD1 3.25Å; D1253-F1362 WeakPolarHBondContact O-CD1 3.37Å; M1351-F1362 HydrophobicContact CB-CE2 4.08Å; R1352-F1362 HydrophobicContact CB-CD2 4.41Å; R1352-F1362 HydrophobicContact CG-CD1 4.14Å; R1352-F1362 HydrophobicContact CG-CD2 3.62Å; R1352-F1362 HydrophobicContact CG-CE1 4.19Å; R1352-F1362 HydrophobicContact CG-CE2 3.65Å; R1352-F1362 HydrophobicContact CG-CG 3.87Å; R1352-F1362 HydrophobicContact CG-CZ 3.95Å; R1352-F1362 VanDerWaalsContact CZ-CE1 3.47Å; R1352-F1362 VanDerWaalsContact NH2-CE1 3.33Å; A1355-F1362 HydrophobicContact CB-CB 4.15Å; A1355-F1362 HydrophobicContact CB-CD2 3.96Å; R1360-F1362 PolarHBondContact O-N 3.28Å; F1362-D1364 HydrophobicContact CE1-CB 4.04Å; F1362-D1364 HydrophobicContact CZ-CB 4.2Å |
| 1363 | V | 66.4 | Low | 64.5 | Low | 83 Ų | 83 | 92.5 Ų | 92.5 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | trans | -138.1 | 123.3 | 169.3 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | A1251 T1252 L1365 | A1251-V1363 CarbonylContact O-C 3.54Å; A1251-V1363 WeakPolarHBondContact O-CA 3.3Å; T1252-V1363 HydrophobicContact CG2-CG1 4.47Å; V1363-L1365 PolarHBondContact O-N 3.48Å | ||
| 1364 | D | 67.1 | Low | 62.7 | Low | 14 Ų | 14 | 88.6 Ų | 88.6 | 8% | 0.075 | 45% | 0.454 | C | S | . | . | trans | -78.3 | 101.4 | 176.4 | -162.1 | -25.3 | 0 | 0 | 0 | 110.3 | A1251 F1362 R1366 M1367 | A1251-D1364 HydrophobicContact CB-CB 4.33Å; A1251-D1364 PolarHBondContact O-N 3.42Å; F1362-D1364 HydrophobicContact CE1-CB 4.04Å; F1362-D1364 HydrophobicContact CZ-CB 4.2Å; D1364-R1366 PolarHBondContact O-N 2.77Å; D1364-R1366 VanDerWaalsContact OD1-CB 3.24Å; D1364-R1366 WeakPolarHBondContact OD1-CB 3.36Å; D1364-R1366 VanDerWaalsContact OD1-CG 3.28Å; D1364-R1366 WeakPolarHBondContact OD1-CG 3.46Å; D1364-R1366 IonicContact OD1-CZ 3.64Å; D1364-R1366 PolarHBondContact OD1-N 2.59Å; D1364-R1366 VanDerWaalsContact OD1-N 3.09Å; D1364-R1366 IonicContact OD1-NE 3.45Å; D1364-R1366 PolarHBondContact OD1-NE 3.28Å; D1364-R1366 IonicContact OD1-NH2 2.75Å; D1364-R1366 IonicContact OD2-CZ 3.51Å; D1364-R1366 VanDerWaalsContact OD2-CZ 3.28Å; D1364-R1366 IonicContact OD2-NE 3.03Å; D1364-R1366 PolarHBondContact OD2-NE 3.05Å; D1364-R1366 VanDerWaalsContact OD2-NE 3.14Å; D1364-R1366 IonicContact OD2-NH2 2.69Å; D1364-R1366 PolarHBondContact OD2-NH2 2.9Å; D1364-M1367 PolarHBondContact O-N 3.39Å; D1364-M1367 VanDerWaalsContact O-N 3.16Å | ||
| 1365 | L | 65.3 | Low | 60.8 | Low | 137 Ų | 137 | 89 Ų | 89 | 72% | 0.717 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -57.9 | -10.5 | 179.3 | -69.7 | 164.4 | 0 | 0 | 0 | 113.9 | V1363 M1367 | V1363-L1365 PolarHBondContact O-N 3.48Å; L1365-M1367 VanDerWaalsContact C-N 3.27Å; L1365-M1367 PolarHBondContact O-N 2.91Å |
| 1366 | R | 67.7 | Low | 58.8 | Low | 133 Ų | 133 | 94.3 Ų | 94.3 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -73.9 | -10.1 | 176.5 | -62.6 | 174.9 | -75.9 | -171 | 0 | 114 | D1348 D1364 | D1348-R1366 IonicContact OD1-CZ 3.6Å; D1348-R1366 IonicContact OD1-NH1 3.58Å; D1348-R1366 PolarHBondContact OD1-NH1 3.3Å; D1348-R1366 IonicContact OD1-NH2 3.72Å; D1348-R1366 PolarHBondContact OD1-NH2 3.44Å; D1364-R1366 PolarHBondContact O-N 2.77Å; D1364-R1366 VanDerWaalsContact OD1-CB 3.24Å; D1364-R1366 WeakPolarHBondContact OD1-CB 3.36Å; D1364-R1366 VanDerWaalsContact OD1-CG 3.28Å; D1364-R1366 WeakPolarHBondContact OD1-CG 3.46Å; D1364-R1366 IonicContact OD1-CZ 3.64Å; D1364-R1366 PolarHBondContact OD1-N 2.59Å; D1364-R1366 VanDerWaalsContact OD1-N 3.09Å; D1364-R1366 IonicContact OD1-NE 3.45Å; D1364-R1366 PolarHBondContact OD1-NE 3.28Å; D1364-R1366 IonicContact OD1-NH2 2.75Å; D1364-R1366 IonicContact OD2-CZ 3.51Å; D1364-R1366 VanDerWaalsContact OD2-CZ 3.28Å; D1364-R1366 IonicContact OD2-NE 3.03Å; D1364-R1366 PolarHBondContact OD2-NE 3.05Å; D1364-R1366 VanDerWaalsContact OD2-NE 3.14Å; D1364-R1366 IonicContact OD2-NH2 2.69Å; D1364-R1366 PolarHBondContact OD2-NH2 2.9Å |
| 1367 | M | 56.9 | Low | 57.1 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 40% | 0.404 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -122.2 | 27.7 | -164.7 | -59.9 | -60.5 | -95.3 | 0 | 0 | 116 | K1248 A1251 D1364 L1365 I1369 | K1248-M1367 HydrophobicContact CB-CE 3.53Å; K1248-M1367 HydrophobicContact CG-CE 3.68Å; A1251-M1367 HydrophobicContact CB-CB 4.4Å; A1251-M1367 HydrophobicContact CB-CG 4.34Å; D1364-M1367 PolarHBondContact O-N 3.39Å; D1364-M1367 VanDerWaalsContact O-N 3.16Å; L1365-M1367 VanDerWaalsContact C-N 3.27Å; L1365-M1367 PolarHBondContact O-N 2.91Å; M1367-I1369 PolarHBondContact O-N 2.75Å |
| 1368 | Q | 45.6 | Very low | 55.4 | Low | 166 Ų | 166 | 94.6 Ų | 94.6 | 78% | 0.776 | 51% | 0.511 | S | S | * | . | trans | -63.3 | 115.3 | -176.5 | -68.8 | -175 | -22.2 | 0 | 0 | 113.8 | ||||
| 1369 | I | 45.3 | Very low | 53.9 | Low | 113 Ų | 113 | 94.5 Ų | 94.5 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | trans | -118.9 | 132.9 | 166.6 | -60.9 | 171.7 | 0 | 0 | 0 | 107.3 | M1367 L1374 | M1367-I1369 PolarHBondContact O-N 2.75Å; I1369-L1374 HydrophobicContact CG2-CD2 3.95Å; I1369-L1374 HydrophobicContact CG2-CG 4.06Å | ||
| 1370 | P | 51 | Low | 52.7 | Low | 74 Ų | 74 | 99.1 Ų | 99.1 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | trans | -68.4 | 140 | 179.7 | -20.4 | 33.1 | 0 | 0 | 0 | 113.6 | D1372 H1373 L1374 | P1370-D1372 PolarHBondContact O-N 3.24Å; P1370-H1373 PolarHBondContact O-N 3.24Å; P1370-L1374 PolarHBondContact O-N 3.34Å | ||
| 1371 | D | 49.3 | Very low | 50.8 | Low | 88 Ų | 88 | 97.6 Ų | 97.6 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -58.6 | -33.2 | 176.8 | -68.2 | -63.7 | 0 | 0 | 0 | 113.2 | H1373 L1374 H1379 | D1371-H1373 PolarHBondContact O-N 3.14Å; D1371-L1374 PolarHBondContact O-N 3.08Å; D1371-H1379 PolarHBondContact O-NE2 3.11Å |
| 1372 | D | 50.6 | Low | 49.5 | Very low | 153 Ų | 153 | 98 Ų | 98 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -65.2 | -5.6 | 174.7 | -62.4 | -33.9 | 0 | 0 | 0 | 113.8 | P1370 | P1370-D1372 PolarHBondContact O-N 3.24Š|
| 1373 | H | 55.3 | Low | 47.5 | Very low | 151 Ų | 151 | 105.5 Ų | 105.5 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -118.5 | -3.4 | 174.8 | -62.4 | -15.6 | 0 | 0 | 0 | 112.8 | P1370 D1371 | P1370-H1373 PolarHBondContact O-N 3.24Å; D1371-H1373 PolarHBondContact O-N 3.14Å |
| 1374 | L | 44.2 | Very low | 45.7 | Very low | 32 Ų | 32 | 109.4 Ų | 109.4 | 17% | 0.168 | 60% | 0.604 | C | S | . | * | S | Bend | trans | -89.5 | 130.7 | 172.1 | -70.1 | 172.7 | 0 | 0 | 0 | 108.8 | I1369 P1370 D1371 M1378 H1379 | I1369-L1374 HydrophobicContact CG2-CD2 3.95Å; I1369-L1374 HydrophobicContact CG2-CG 4.06Å; P1370-L1374 PolarHBondContact O-N 3.34Å; D1371-L1374 PolarHBondContact O-N 3.08Å; L1374-M1378 HydrophobicContact CB-CB 4.09Å; L1374-M1378 HydrophobicContact CD2-CB 4.18Å; L1374-M1378 HydrophobicContact CD2-CE 3.84Å; L1374-M1378 HydrophobicContact CD2-SD 4Å; L1374-H1379 PolarHBondContact O-NE2 2.93Å; L1374-H1379 VanDerWaalsContact O-NE2 3.09Å |
| 1375 | P | 41.6 | Very low | 44.1 | Very low | 75 Ų | 75 | 115.2 Ų | 115.2 | 49% | 0.487 | 63% | 0.634 | S | S | . | * | trans | -57.8 | 153.5 | 171.9 | -23.5 | 33.9 | 0 | 0 | 0 | 110.8 | A1377 M1378 | P1375-A1377 PolarHBondContact O-N 3.36Å; P1375-M1378 PolarHBondContact O-N 3.45Å | ||
| 1376 | P | 35.8 | Very low | 42.4 | Very low | 112 Ų | 112 | 112 Ų | 112 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -56.1 | -20 | -178.1 | -28.9 | 36.1 | 0 | 0 | 0 | 115.7 | M1378 | P1376-M1378 VanDerWaalsContact C-N 3.27Å; P1376-M1378 PolarHBondContact O-N 3.02Å |
| 1377 | A | 37.9 | Very low | 40.8 | Very low | 104 Ų | 104 | 113 Ų | 113 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -76.2 | -7.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1375 | P1375-A1377 PolarHBondContact O-N 3.36Š|
| 1378 | M | 40.7 | Very low | 39.9 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 58% | 0.576 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -112.7 | -0.8 | 175.3 | -66.2 | -174.5 | 74.2 | 0 | 0 | 112.8 | L1374 P1375 P1376 | L1374-M1378 HydrophobicContact CB-CB 4.09Å; L1374-M1378 HydrophobicContact CD2-CB 4.18Å; L1374-M1378 HydrophobicContact CD2-CE 3.84Å; L1374-M1378 HydrophobicContact CD2-SD 4Å; P1375-M1378 PolarHBondContact O-N 3.45Å; P1376-M1378 VanDerWaalsContact C-N 3.27Å; P1376-M1378 PolarHBondContact O-N 3.02Å |
| 1379 | H | 48.5 | Very low | 39.6 | Very low | 85 Ų | 85 | 106.6 Ų | 106.6 | 39% | 0.394 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -67.4 | 137.3 | 171.8 | -70.3 | 168.7 | 0 | 0 | 0 | 110.5 | D1371 L1374 A1381 | D1371-H1379 PolarHBondContact O-NE2 3.11Å; L1374-H1379 PolarHBondContact O-NE2 2.93Å; L1374-H1379 VanDerWaalsContact O-NE2 3.09Å; H1379-A1381 PolarHBondContact O-N 3.46Å |
| 1380 | V | 40.6 | Very low | 39.5 | Very low | 122 Ų | 122 | 102.7 Ų | 102.7 | 74% | 0.739 | 59% | 0.587 | S | S | * | * | trans | -78.5 | 79.9 | -166.3 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | S1382 | V1380-S1382 PolarHBondContact O-N 2.99Å; V1380-S1382 VanDerWaalsContact O-N 3.16Å | ||
| 1381 | A | 28.4 | Very low | 39 | Very low | 88 Ų | 88 | 99.3 Ų | 99.3 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | trans | -69.1 | 102.2 | 161 | 0 | 0 | 0 | 0 | 0 | 108.9 | H1379 E1383 | H1379-A1381 PolarHBondContact O-N 3.46Å; A1381-E1383 PolarHBondContact O-N 2.94Å | ||
| 1382 | S | 30.4 | Very low | 38.5 | Very low | 116 Ų | 116 | 96.3 Ų | 96.3 | 81% | 0.811 | 55% | 0.55 | S | S | * | . | trans | -73.5 | 15 | -167.4 | -170.3 | 0 | 0 | 0 | 0 | 115.8 | V1380 | V1380-S1382 PolarHBondContact O-N 2.99Å; V1380-S1382 VanDerWaalsContact O-N 3.16Å | ||
| 1383 | E | 29 | Very low | 38.6 | Very low | 171 Ų | 171 | 89.6 Ų | 89.6 | 80% | 0.799 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -130.4 | 130.4 | -178.2 | -64 | -172.4 | 171.5 | 0 | 0 | 110.2 | A1381 | A1381-E1383 PolarHBondContact O-N 2.94Š|
| 1384 | L | 28.1 | Very low | 38.3 | Very low | 165 Ų | 165 | 82.4 Ų | 82.4 | 86% | 0.864 | 48% | 0.48 | S | S | * | . | trans | 62 | 60.8 | -178.8 | -58.7 | 166.6 | 0 | 0 | 0 | 115.1 | P1386 | L1384-P1386 WeakPolarHBondContact O-CD 2.92Å; L1384-P1386 WeakPolarHBondContact O-CG 3.48Å; L1384-P1386 VanDerWaalsContact O-N 3.16Å | ||
| 1385 | L | 33.2 | Very low | 38.3 | Very low | 136 Ų | 136 | 81.3 Ų | 81.3 | 71% | 0.712 | 48% | 0.475 | S | S | * | . | trans | -57 | 112.9 | 151.4 | -127.4 | 173 | 0 | 0 | 0 | 107.5 | V1389 | L1385-V1389 HydrophobicContact CD2-CB 4.02Å; L1385-V1389 HydrophobicContact CD2-CG2 3.72Å | ||
| 1386 | P | 30.1 | Very low | 38.7 | Very low | 68 Ų | 68 | 77.8 Ų | 77.8 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | trans | -74.8 | 151.6 | -169.7 | -17.2 | 32.9 | 0 | 0 | 0 | 111.3 | L1384 N1388 V1389 | L1384-P1386 WeakPolarHBondContact O-CD 2.92Å; L1384-P1386 WeakPolarHBondContact O-CG 3.48Å; L1384-P1386 VanDerWaalsContact O-N 3.16Å; P1386-N1388 HydrophobicContact CB-CB 3.92Å; P1386-N1388 WeakPolarHBondContact CB-OD1 3.38Å; P1386-N1388 PolarHBondContact O-N 3.29Å; P1386-V1389 PolarHBondContact O-N 3.42Å | ||
| 1387 | M | 33.6 | Very low | 39.6 | Very low | 154 Ų | 154 | 73.5 Ų | 73.5 | 76% | 0.759 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.3 | 177.9 | -66.8 | -129.2 | -55.3 | 0 | 0 | 112.1 | V1389 H1390 S1391 | M1387-V1389 PolarHBondContact O-N 3.3Å; M1387-H1390 CarbonylContact O-C 3.37Å; M1387-H1390 WeakPolarHBondContact O-CA 3.25Å; M1387-H1390 PolarHBondContact O-N 3.01Å; M1387-S1391 WeakPolarHBondContact O-CB 3.44Å |
| 1388 | N | 38.1 | Very low | 40.8 | Very low | 48 Ų | 48 | 68.9 Ų | 68.9 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -36.2 | -27 | 162.7 | -58.2 | 67.5 | 0 | 0 | 0 | 117.3 | D1086 D1088 P1386 S1391 | D1086-N1388 PolarHBondContact OD1-ND2 2.93Å; D1086-N1388 WeakPolarHBondContact OD2-CB 3.42Å; D1086-N1388 PolarHBondContact OD2-ND2 2.72Å; D1088-N1388 HydrophobicContact CB-CB 4.39Å; D1088-N1388 VanDerWaalsContact CB-CG 3.48Å; D1088-N1388 VanDerWaalsContact CB-ND2 3.28Å; D1088-N1388 WeakPolarHBondContact CB-ND2 3.43Å; P1386-N1388 HydrophobicContact CB-CB 3.92Å; P1386-N1388 WeakPolarHBondContact CB-OD1 3.38Å; P1386-N1388 PolarHBondContact O-N 3.29Å; N1388-S1391 VanDerWaalsContact C-OG 3.27Å; N1388-S1391 WeakPolarHBondContact O-CB 3.5Å; N1388-S1391 PolarHBondContact O-OG 3.21Å |
| 1389 | V | 39.8 | Very low | 41.4 | Very low | 67 Ų | 67 | 63.6 Ų | 63.6 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -36.7 | 178.9 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | L1385 P1386 M1387 S1391 | L1385-V1389 HydrophobicContact CD2-CB 4.02Å; L1385-V1389 HydrophobicContact CD2-CG2 3.72Å; P1386-V1389 PolarHBondContact O-N 3.42Å; M1387-V1389 PolarHBondContact O-N 3.3Å; V1389-S1391 PolarHBondContact O-N 3.41Å |
| 1390 | H | 43.1 | Very low | 42 | Very low | 30 Ų | 30 | 60.2 Ų | 60.2 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 60.6 | 162.5 | -158.4 | 61.7 | 0 | 0 | 0 | 109.5 | H1117 Y1250 M1258 M1387 | H1117-H1390 VanDerWaalsContact CE1-C 3.44Å; H1117-H1390 AromaticContact CE1-CD2 3.14Å; H1117-H1390 PolarHBondContact CE1-CD2 3.43Å; H1117-H1390 AromaticContact CE1-CE1 3.88Å; H1117-H1390 AromaticContact CE1-CG 3.69Å; H1117-H1390 AromaticContact CE1-NE2 3.29Å; H1117-H1390 PolarHBondContact CE1-NE2 3.23Å; H1117-H1390 VanDerWaalsContact CE1-NE2 3.29Å; H1117-H1390 PolarHBondContact CE1-O 3.26Å; H1117-H1390 PolarHBondContact ND1-O 3.17Å; H1117-H1390 AromaticContact NE2-CD2 3.4Å; H1117-H1390 PolarHBondContact NE2-CD2 3.19Å; H1117-H1390 AromaticContact NE2-NE2 3.65Å; H1117-H1390 PolarHBondContact NE2-O 3Å; Y1250-H1390 AromaticContact CZ-ND1 3.93Å; Y1250-H1390 PolarHBondContact OH-CE1 3.09Å; Y1250-H1390 VanDerWaalsContact OH-CE1 3.29Å; Y1250-H1390 PolarHBondContact OH-ND1 2.83Å; M1258-H1390 HydrophobicContact CE-CB 3.62Å; M1258-H1390 WeakPolarHBondContact CE-CD2 3.44Å; M1258-H1390 PolarHBondContact O-CE1 2.69Å; M1258-H1390 PolarHBondContact SD-CD2 3.12Å; M1258-H1390 PolarHBondContact SD-NE2 2.88Å; M1387-H1390 CarbonylContact O-C 3.37Å; M1387-H1390 WeakPolarHBondContact O-CA 3.25Å; M1387-H1390 PolarHBondContact O-N 3.01Å |
| 1391 | S | 41.3 | Very low | 43.3 | Very low | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -151.5 | -6 | -169 | 120 | 0 | 0 | 0 | 0 | 111.2 | D1086 P1087 G1116 H1117 M1387 N1388 V1389 | D1086-S1391 WeakPolarHBondContact CA-OG 3.29Å; D1086-S1391 PolarHBondContact OD1-OG 2.76Å; P1087-S1391 WeakPolarHBondContact CD-O 3.35Å; P1087-S1391 WeakPolarHBondContact CD-OG 3.47Å; P1087-S1391 VanDerWaalsContact CG-CB 3.48Å; P1087-S1391 WeakPolarHBondContact CG-O 3.24Å; P1087-S1391 WeakPolarHBondContact CG-OG 3.48Å; G1116-S1391 CarbonylContact C-O 2.93Å; G1116-S1391 CarbonylContact O-C 2.83Å; H1117-S1391 WeakPolarHBondContact ND1-CA 3.25Å; H1117-S1391 PolarHBondContact ND1-N 3.12Å; M1387-S1391 WeakPolarHBondContact O-CB 3.44Å; N1388-S1391 VanDerWaalsContact C-OG 3.27Å; N1388-S1391 WeakPolarHBondContact O-CB 3.5Å; N1388-S1391 PolarHBondContact O-OG 3.21Å; V1389-S1391 PolarHBondContact O-N 3.41Å |
| 1392 | L | 38.8 | Very low | 44.8 | Very low | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -108.3 | 16.3 | -175.8 | -78 | 145.2 | 0 | 0 | 0 | 115.7 | N1082 H1085 A1115 G1116 | N1082-L1392 HydrophobicContact CB-CD1 3.77Å; N1082-L1392 HydrophobicContact CB-CD2 3.64Å; N1082-L1392 HydrophobicContact CB-CG 4.33Å; N1082-L1392 VanDerWaalsContact CG-CD2 3.41Å; H1085-L1392 HydrophobicContact CB-CD2 3.41Å; H1085-L1392 VanDerWaalsContact CB-CD2 3.41Å; A1115-L1392 CarbonylContact O-C 3.56Å; G1116-L1392 CarbonylContact O-C 3.51Å; G1116-L1392 PolarHBondContact O-N 2.86Å |
| 1393 | Y | 52.8 | Low | 45.8 | Very low | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -142.8 | -33.5 | -173.5 | -46.8 | -78.8 | 0 | 0 | 0 | 118.5 | G1116 L1246 D1249 Y1250 N1265 M1266 | G1116-Y1393 CarbonylContact O-C 3.55Å; G1116-Y1393 PolarHBondContact O-N 2.75Å; L1246-Y1393 HydrophobicContact CD2-CD1 3.76Å; L1246-Y1393 HydrophobicContact CD2-CE1 3.91Å; L1246-Y1393 HydrophobicContact CD2-CG 4.37Å; D1249-Y1393 WeakPolarHBondContact CB-OH 3.31Å; D1249-Y1393 PolarHBondContact OD2-OH 2.84Å; Y1250-Y1393 AromaticContact CE2-CD2 3.91Å; Y1250-Y1393 HydrophobicContact CE2-CD2 3.91Å; Y1250-Y1393 HydrophobicContact CE2-CE1 4.36Å; Y1250-Y1393 AromaticContact CE2-CE2 3.72Å; Y1250-Y1393 HydrophobicContact CE2-CE2 3.72Å; Y1250-Y1393 HydrophobicContact CE2-CG 4.32Å; Y1250-Y1393 AromaticContact CE2-CZ 4Å; Y1250-Y1393 AromaticContact CZ-CD2 3.88Å; Y1250-Y1393 AromaticContact CZ-CE2 3.95Å; Y1250-Y1393 WeakPolarHBondContact OH-CD2 3.43Å; Y1250-Y1393 WeakPolarHBondContact OH-CE2 3.37Å; N1265-Y1393 CarbonylContact C-O 3.58Å; N1265-Y1393 WeakPolarHBondContact CB-O 3.22Å; M1266-Y1393 HydrophobicContact CG-CD1 3.8Å; M1266-Y1393 PolarHBondContact N-O 3.48Å; M1266-Y1393 HydrophobicContact SD-CD1 3.56Å; M1266-Y1393 VanDerWaalsContact SD-CD1 3.56Å; M1266-Y1393 HydrophobicContact SD-CE1 4.01Å |
| 1394 | T | 48.1 | Very low | 46.5 | Very low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -88.4 | 169.8 | -170.2 | 85.6 | 0 | 0 | 0 | 0 | 114.1 | G1116 H1117 H1118 M1261 N1265 | G1116-T1394 CarbonylContact C-O 3.04Å; G1116-T1394 WeakPolarHBondContact CA-O 3.12Å; G1116-T1394 PolarHBondContact O-N 3.13Å; H1117-T1394 WeakPolarHBondContact CA-O 3.37Å; H1117-T1394 VanDerWaalsContact CA-OG1 3.29Å; H1117-T1394 WeakPolarHBondContact CA-OG1 3.47Å; H1117-T1394 PolarHBondContact CD2-OG1 3.16Å; H1117-T1394 WeakPolarHBondContact CE1-CG2 3.46Å; H1117-T1394 PolarHBondContact CE1-OG1 3.25Å; H1117-T1394 PolarHBondContact N-O 3.3Å; H1117-T1394 PolarHBondContact ND1-OG1 2.82Å; H1117-T1394 PolarHBondContact NE2-OG1 2.69Å; H1118-T1394 VanDerWaalsContact CD2-CB 3.44Å; H1118-T1394 WeakPolarHBondContact CD2-CB 3.23Å; H1118-T1394 PolarHBondContact CD2-OG1 2.92Å; H1118-T1394 PolarHBondContact N-OG1 3.47Å; M1261-T1394 HydrophobicContact CB-CG2 3.78Å; M1261-T1394 HydrophobicContact CE-CG2 4.21Å; N1265-T1394 VanDerWaalsContact CB-CA 3.44Å; N1265-T1394 WeakPolarHBondContact ND2-CB 3.34Å |
| 1395 | A | 45.1 | Very low | 46.8 | Very low | 8 Ų | 8 | 36.5 Ų | 36.5 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | trans | -104.9 | 129.3 | -149 | 0 | 0 | 0 | 0 | 0 | 119.2 | L1112 C1113 H1118 N1265 F1409 | L1112-A1395 CarbonylContact O-C 3.6Å; C1113-A1395 HydrophobicContact CB-CB 4.27Å; C1113-A1395 WeakPolarHBondContact SG-CA 3.37Å; C1113-A1395 WeakPolarHBondContact SG-CB 3.23Å; H1118-A1395 PolarHBondContact CE1-N 3.39Å; H1118-A1395 VanDerWaalsContact CE1-N 3.25Å; H1118-A1395 PolarHBondContact CE1-O 3.24Å; H1118-A1395 PolarHBondContact ND1-N 2.9Å; H1118-A1395 PolarHBondContact ND1-O 2.97Å; H1118-A1395 PolarHBondContact NE2-N 3.21Å; N1265-A1395 HydrophobicContact CB-CB 3.81Å; N1265-A1395 VanDerWaalsContact CG-CB 3.48Å; N1265-A1395 WeakPolarHBondContact OD1-CB 3.37Å; A1395-F1409 WeakPolarHBondContact O-CE1 3.35Å; A1395-F1409 WeakPolarHBondContact O-CZ 3.44Å | ||
| 1396 | A | 49.4 | Very low | 46.8 | Very low | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -128.8 | -77.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | A1109 L1112 C1113 V1398 P1404 F1409 | A1109-A1396 VanDerWaalsContact C-CB 3.42Å; A1109-A1396 WeakPolarHBondContact O-CB 3.48Å; L1112-A1396 HydrophobicContact CB-CB 3.68Å; L1112-A1396 WeakPolarHBondContact O-CB 3.26Å; L1112-A1396 PolarHBondContact O-N 2.94Å; C1113-A1396 VanDerWaalsContact CB-N 3.28Å; C1113-A1396 WeakPolarHBondContact SG-CA 3.25Å; C1113-A1396 PolarHBondContact SG-N 3.28Å; C1113-A1396 PolarHBondContact SG-O 3.35Å; A1396-V1398 PolarHBondContact O-N 3.13Å; A1396-P1404 VanDerWaalsContact O-CD 3.22Å; A1396-P1404 WeakPolarHBondContact O-CD 3.37Å; A1396-F1409 HydrophobicContact CB-CE2 4.01Å; A1396-F1409 HydrophobicContact CB-CZ 4.01Å |
| 1397 | K | 54 | Low | 46.8 | Very low | 22 Ų | 22 | 31.5 Ų | 31.5 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | trans | -73.7 | 105 | 173.2 | -99 | 168.8 | -147.5 | -174.4 | 0 | 111.2 | V1007 A1110 K1111 C1113 R1114 | V1007-K1397 PolarHBondContact O-NZ 2.88Å; A1110-K1397 HydrophobicContact CB-CD 3.83Å; A1110-K1397 HydrophobicContact CB-CG 3.53Å; A1110-K1397 WeakPolarHBondContact O-CA 3.4Å; A1110-K1397 WeakPolarHBondContact O-CB 3.47Å; A1110-K1397 WeakPolarHBondContact O-CG 3.35Å; A1110-K1397 PolarHBondContact O-N 3.47Å; K1111-K1397 HydrophobicContact CG-CD 4.08Å; C1113-K1397 WeakPolarHBondContact CB-O 3.42Å; C1113-K1397 VanDerWaalsContact N-N 3.12Å; C1113-K1397 PolarHBondContact SG-N 3.18Å; C1113-K1397 PolarHBondContact SG-O 3.5Å; C1113-K1397 VanDerWaalsContact SG-O 3.38Å; R1114-K1397 HydrophobicContact CB-CB 4.38Å; R1114-K1397 HydrophobicContact CG-CB 3.79Å; R1114-K1397 WeakPolarHBondContact CG-O 3.4Å | ||
| 1398 | V | 63.1 | Low | 46.9 | Very low | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | trans | -79.3 | 136.9 | 151.6 | -167.7 | 0 | 0 | 0 | 0 | 108.6 | Y1182 S1272 A1396 G1400 F1401 | Y1182-V1398 HydrophobicContact CD2-CB 3.8Å; Y1182-V1398 HydrophobicContact CD2-CG1 3.68Å; Y1182-V1398 HydrophobicContact CD2-CG2 3.6Å; Y1182-V1398 HydrophobicContact CE2-CB 4.45Å; Y1182-V1398 HydrophobicContact CE2-CG1 3.92Å; Y1182-V1398 HydrophobicContact CE2-CG2 4.12Å; Y1182-V1398 HydrophobicContact CG-CB 4.38Å; Y1182-V1398 HydrophobicContact CG-CG2 3.87Å; S1272-V1398 WeakPolarHBondContact OG-CG1 3.47Å; A1396-V1398 PolarHBondContact O-N 3.13Å; V1398-G1400 PolarHBondContact O-N 2.85Å; V1398-F1401 HydrophobicContact CB-CB 4.42Å; V1398-F1401 HydrophobicContact CB-CD2 3.53Å; V1398-F1401 HydrophobicContact CB-CE2 4.14Å; V1398-F1401 HydrophobicContact CB-CG 4.29Å; V1398-F1401 HydrophobicContact CG1-CD2 3.37Å; V1398-F1401 HydrophobicContact CG1-CE2 3.49Å; V1398-F1401 VanDerWaalsContact CG1-CE2 3.49Å | ||
| 1399 | P | 54.7 | Low | 46.5 | Very low | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.039 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 133.8 | 172.7 | -31.5 | 38.8 | 0 | 0 | 0 | 113.1 | R1114 A1273 M1276 M1330 F1401 | R1114-P1399 HydrophobicContact CG-CG 4.35Å; A1273-P1399 HydrophobicContact CB-CG 3.88Å; M1276-P1399 HydrophobicContact CB-CB 4.29Å; M1276-P1399 HydrophobicContact SD-CB 4.02Å; M1330-P1399 WeakPolarHBondContact CE-O 3.43Å; P1399-F1401 WeakPolarHBondContact O-CD2 3.46Å; P1399-F1401 PolarHBondContact O-N 3.23Å; P1399-F1401 VanDerWaalsContact O-N 3.08Å |
| 1400 | G | 60.2 | Low | 46.1 | Very low | 14 Ų | 14 | 24.3 Ų | 24.3 | 14% | 0.144 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -13.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | P1178 V1398 | P1178-G1400 WeakPolarHBondContact CB-O 3.4Å; V1398-G1400 PolarHBondContact O-N 2.85Å |
| 1401 | F | 67 | Low | 45.6 | Very low | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -83.8 | 150.2 | 171.6 | -61.5 | -89.5 | 0 | 0 | 0 | 111.4 | P1178 F1180 Y1182 T1185 C1327 M1330 K1331 V1398 P1399 V1403 | P1178-F1401 VanDerWaalsContact CB-C 3.49Å; F1180-F1401 CarbonylContact O-C 3.59Å; F1180-F1401 VanDerWaalsContact O-CA 3.28Å; F1180-F1401 WeakPolarHBondContact O-CA 3.46Å; F1180-F1401 WeakPolarHBondContact O-CB 3.39Å; Y1182-F1401 VanDerWaalsContact CA-CD1 3.45Å; Y1182-F1401 HydrophobicContact CD2-CD1 4.21Å; Y1182-F1401 AromaticContact CD2-CD2 3.77Å; Y1182-F1401 HydrophobicContact CD2-CD2 3.77Å; Y1182-F1401 AromaticContact CD2-CE1 3.96Å; Y1182-F1401 HydrophobicContact CD2-CE1 3.96Å; Y1182-F1401 AromaticContact CD2-CE2 3.51Å; Y1182-F1401 HydrophobicContact CD2-CE2 3.51Å; Y1182-F1401 HydrophobicContact CD2-CG 4.09Å; Y1182-F1401 AromaticContact CD2-CZ 3.58Å; Y1182-F1401 HydrophobicContact CD2-CZ 3.58Å; Y1182-F1401 HydrophobicContact CE2-CE2 4.03Å; Y1182-F1401 HydrophobicContact CE2-CZ 4.05Å; T1185-F1401 HydrophobicContact CG2-CE1 4.11Å; C1327-F1401 HydrophobicContact CB-CD1 4.09Å; C1327-F1401 HydrophobicContact CB-CE1 3.66Å; C1327-F1401 HydrophobicContact CB-CZ 4.29Å; C1327-F1401 WeakPolarHBondContact O-CE1 3.46Å; C1327-F1401 WeakPolarHBondContact O-CZ 3.45Å; M1330-F1401 HydrophobicContact CB-CE2 3.54Å; M1330-F1401 HydrophobicContact CB-CZ 3.73Å; M1330-F1401 HydrophobicContact CE-CD2 4.13Å; M1330-F1401 HydrophobicContact CE-CE2 3.82Å; M1330-F1401 HydrophobicContact CE-CZ 4.16Å; M1330-F1401 HydrophobicContact SD-CE2 4.44Å; K1331-F1401 HydrophobicContact CB-CE1 4.35Å; K1331-F1401 HydrophobicContact CB-CZ 3.9Å; V1398-F1401 HydrophobicContact CB-CB 4.42Å; V1398-F1401 HydrophobicContact CB-CD2 3.53Å; V1398-F1401 HydrophobicContact CB-CE2 4.14Å; V1398-F1401 HydrophobicContact CB-CG 4.29Å; V1398-F1401 HydrophobicContact CG1-CD2 3.37Å; V1398-F1401 HydrophobicContact CG1-CE2 3.49Å; V1398-F1401 VanDerWaalsContact CG1-CE2 3.49Å; P1399-F1401 WeakPolarHBondContact O-CD2 3.46Å; P1399-F1401 PolarHBondContact O-N 3.23Å; P1399-F1401 VanDerWaalsContact O-N 3.08Å; F1401-V1403 PolarHBondContact O-N 2.88Å |
| 1402 | K | 61 | Low | 45.1 | Very low | 93 Ų | 93 | 33 Ų | 33 | 40% | 0.404 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -56.7 | 134.1 | 162.2 | -171.5 | 179.8 | 173.1 | -169.6 | 0 | 107 | P1178 F1180 T1181 | P1178-K1402 VanDerWaalsContact O-CB 3.31Å; P1178-K1402 WeakPolarHBondContact O-CB 3.44Å; F1180-K1402 PolarHBondContact O-N 3.06Å; T1181-K1402 HydrophobicContact CG2-CB 3.84Å; T1181-K1402 HydrophobicContact CG2-CD 4.01Å; T1181-K1402 HydrophobicContact CG2-CG 4.08Å |
| 1403 | V | 51.8 | Low | 44.5 | Very low | 27 Ų | 27 | 38.7 Ų | 38.7 | 16% | 0.164 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 133 | 179.4 | -167.3 | 0 | 0 | 0 | 0 | 108.8 | H1106 A1109 A1110 F1401 T1405 | H1106-V1403 WeakPolarHBondContact O-CG1 3.43Å; A1109-V1403 WeakPolarHBondContact O-CG1 3.45Å; A1110-V1403 VanDerWaalsContact CA-CG1 3.45Å; A1110-V1403 HydrophobicContact CB-CB 4.09Å; A1110-V1403 HydrophobicContact CB-CG1 3.47Å; A1110-V1403 VanDerWaalsContact CB-CG1 3.47Å; A1110-V1403 HydrophobicContact CB-CG2 3.44Å; A1110-V1403 VanDerWaalsContact CB-CG2 3.44Å; F1401-V1403 PolarHBondContact O-N 2.88Å; V1403-T1405 PolarHBondContact O-N 3.02Å; V1403-T1405 VanDerWaalsContact O-N 3.1Å |
| 1404 | P | 42.6 | Very low | 43.3 | Very low | 16 Ų | 16 | 43.1 Ų | 43.1 | 10% | 0.104 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 117.2 | 166 | -9.3 | 24.3 | 0 | 0 | 0 | 107.3 | A1396 D1408 F1409 | A1396-P1404 VanDerWaalsContact O-CD 3.22Å; A1396-P1404 WeakPolarHBondContact O-CD 3.37Å; P1404-D1408 HydrophobicContact CB-CB 3.69Å; P1404-F1409 HydrophobicContact CB-CD2 4.11Å; P1404-F1409 HydrophobicContact CB-CE2 3.56Å; P1404-F1409 HydrophobicContact CB-CZ 3.88Å; P1404-F1409 HydrophobicContact CG-CE2 3.89Å; P1404-F1409 HydrophobicContact CG-CZ 3.84Å |
| 1405 | T | 35.4 | Very low | 42.3 | Very low | 25 Ų | 25 | 47 Ų | 47 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | trans | -64.5 | 176 | -178.8 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | V1403 E1407 D1408 F1409 | V1403-T1405 PolarHBondContact O-N 3.02Å; V1403-T1405 VanDerWaalsContact O-N 3.1Å; T1405-E1407 PolarHBondContact O-N 2.95Å; T1405-E1407 VanDerWaalsContact O-N 3.16Å; T1405-E1407 PolarHBondContact OG1-N 3.5Å; T1405-D1408 WeakPolarHBondContact CB-OD2 3.15Å; T1405-D1408 WeakPolarHBondContact CG2-OD2 3.37Å; T1405-D1408 PolarHBondContact N-OD2 3.05Å; T1405-D1408 PolarHBondContact O-N 3.06Å; T1405-D1408 PolarHBondContact OG1-N 3.21Å; T1405-D1408 PolarHBondContact OG1-OD2 3.5Å; T1405-F1409 PolarHBondContact O-N 3.36Å | ||
| 1406 | A | 33 | Very low | 41.3 | Very low | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -35.4 | -53.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1121 P1122 P1123 D1408 Y1410 | P1121-A1406 HydrophobicContact CB-CB 4.03Å; P1121-A1406 HydrophobicContact CG-CB 4.5Å; P1121-A1406 VanDerWaalsContact O-CA 3.29Å; P1121-A1406 WeakPolarHBondContact O-CA 3.38Å; P1121-A1406 WeakPolarHBondContact O-CB 3.19Å; P1122-A1406 WeakPolarHBondContact O-CB 3.29Å; P1123-A1406 HydrophobicContact CB-CB 4.39Å; A1406-D1408 PolarHBondContact O-N 2.8Å; A1406-Y1410 WeakPolarHBondContact O-CD2 3.4Å; A1406-Y1410 WeakPolarHBondContact O-CE2 3.39Å |
| 1407 | E | 31 | Very low | 40.1 | Very low | 98 Ų | 98 | 60.2 Ų | 60.2 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -76 | -19.7 | -174.6 | -57.2 | 177.2 | -172.1 | 0 | 0 | 113.8 | T1405 K1411 | T1405-E1407 PolarHBondContact O-N 2.95Å; T1405-E1407 VanDerWaalsContact O-N 3.16Å; T1405-E1407 PolarHBondContact OG1-N 3.5Å; E1407-K1411 WeakPolarHBondContact O-CD 3.19Å; E1407-K1411 WeakPolarHBondContact O-CE 3.29Å; E1407-K1411 WeakPolarHBondContact O-CG 3.48Å; E1407-K1411 PolarHBondContact O-NZ 3.1Å |
| 1408 | D | 35.7 | Very low | 38.7 | Very low | 18 Ų | 18 | 63.8 Ų | 63.8 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -88.3 | -25 | -178.3 | -56.3 | -45.8 | 0 | 0 | 0 | 112.5 | P1404 T1405 A1406 Y1410 K1411 | P1404-D1408 HydrophobicContact CB-CB 3.69Å; T1405-D1408 WeakPolarHBondContact CB-OD2 3.15Å; T1405-D1408 WeakPolarHBondContact CG2-OD2 3.37Å; T1405-D1408 PolarHBondContact N-OD2 3.05Å; T1405-D1408 PolarHBondContact O-N 3.06Å; T1405-D1408 PolarHBondContact OG1-N 3.21Å; T1405-D1408 PolarHBondContact OG1-OD2 3.5Å; A1406-D1408 PolarHBondContact O-N 2.8Å; D1408-Y1410 PolarHBondContact O-N 3.11Å; D1408-K1411 PolarHBondContact O-N 3.04Å; D1408-K1411 VanDerWaalsContact O-N 3.15Å; D1408-K1411 IonicContact OD1-NZ 3.14Å; D1408-K1411 PolarHBondContact OD1-NZ 3.06Å |
| 1409 | F | 29.4 | Very low | 36.8 | Very low | 39 Ų | 39 | 70.7 Ų | 70.7 | 17% | 0.171 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -30.9 | 168.6 | -92 | -65.6 | 0 | 0 | 0 | 113.1 | H1118 V1120 P1121 A1395 A1396 P1404 T1405 K1411 | H1118-F1409 AromaticContact CE1-CE1 3.95Å; H1118-F1409 AromaticContact ND1-CE1 3.5Å; H1118-F1409 WeakPolarHBondContact ND1-CE1 3.17Å; V1120-F1409 HydrophobicContact CG1-CB 4.46Å; P1121-F1409 HydrophobicContact CG-CD2 4.26Å; A1395-F1409 WeakPolarHBondContact O-CE1 3.35Å; A1395-F1409 WeakPolarHBondContact O-CZ 3.44Å; A1396-F1409 HydrophobicContact CB-CE2 4.01Å; A1396-F1409 HydrophobicContact CB-CZ 4.01Å; P1404-F1409 HydrophobicContact CB-CD2 4.11Å; P1404-F1409 HydrophobicContact CB-CE2 3.56Å; P1404-F1409 HydrophobicContact CB-CZ 3.88Å; P1404-F1409 HydrophobicContact CG-CE2 3.89Å; P1404-F1409 HydrophobicContact CG-CZ 3.84Å; T1405-F1409 PolarHBondContact O-N 3.36Å; F1409-K1411 VanDerWaalsContact C-N 3.3Å; F1409-K1411 PolarHBondContact O-N 3.22Å |
| 1410 | Y | 31.1 | Very low | 35.4 | Very low | 61 Ų | 61 | 78.1 Ų | 78.1 | 24% | 0.239 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -9.8 | 175.6 | -66.2 | -64 | 0 | 0 | 0 | 114.4 | V1120 A1406 D1408 H1477 D1478 | V1120-Y1410 HydrophobicContact CG1-CD1 4.11Å; V1120-Y1410 HydrophobicContact CG1-CE1 3.48Å; V1120-Y1410 VanDerWaalsContact CG1-CE1 3.48Å; V1120-Y1410 HydrophobicContact CG1-CE2 3.94Å; A1406-Y1410 WeakPolarHBondContact O-CD2 3.4Å; A1406-Y1410 WeakPolarHBondContact O-CE2 3.39Å; D1408-Y1410 PolarHBondContact O-N 3.11Å; Y1410-H1477 HydrophobicContact CD1-CB 3.66Å; Y1410-H1477 AromaticContact CD1-CG 3.8Å; Y1410-H1477 AromaticContact CD1-ND1 3.45Å; Y1410-H1477 WeakPolarHBondContact CD1-ND1 3.15Å; Y1410-H1477 HydrophobicContact CD2-CB 3.74Å; Y1410-H1477 HydrophobicContact CE1-CB 3.86Å; Y1410-H1477 HydrophobicContact CE2-CB 3.96Å; Y1410-H1477 HydrophobicContact CG-CB 3.57Å; Y1410-H1477 AromaticContact CG-CG 3.68Å; Y1410-H1477 AromaticContact CG-ND1 3.67Å; Y1410-D1478 WeakPolarHBondContact CE2-OD1 3.3Å; Y1410-D1478 PolarHBondContact OH-OD1 3.48Å |
| 1411 | K | 32.7 | Very low | 33.8 | Very low | 134 Ų | 134 | 85.8 Ų | 85.8 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 0.5 | -175.8 | -67.9 | 167.6 | -162.6 | 145.9 | 0 | 114.5 | E1407 D1408 F1409 | E1407-K1411 WeakPolarHBondContact O-CD 3.19Å; E1407-K1411 WeakPolarHBondContact O-CE 3.29Å; E1407-K1411 WeakPolarHBondContact O-CG 3.48Å; E1407-K1411 PolarHBondContact O-NZ 3.1Å; D1408-K1411 PolarHBondContact O-N 3.04Å; D1408-K1411 VanDerWaalsContact O-N 3.15Å; D1408-K1411 IonicContact OD1-NZ 3.14Å; D1408-K1411 PolarHBondContact OD1-NZ 3.06Å; F1409-K1411 VanDerWaalsContact C-N 3.3Å; F1409-K1411 PolarHBondContact O-N 3.22Å |
| 1412 | V | 29.9 | Very low | 31.9 | Very low | 82 Ų | 82 | 88.2 Ų | 88.2 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -116.7 | 118 | -175.4 | -176 | 0 | 0 | 0 | 0 | 111 | L1414 | V1412-L1414 VanDerWaalsContact C-N 3.27Å; V1412-L1414 PolarHBondContact O-N 2.94Å |
| 1413 | D | 26.4 | Very low | 30.1 | Very low | 145 Ų | 145 | 90.8 Ų | 90.8 | 78% | 0.775 | 49% | 0.491 | S | S | * | . | trans | -80.6 | 43.8 | -156.6 | -150 | -14.4 | 0 | 0 | 0 | 115.2 | ||||
| 1414 | L | 27.9 | Very low | 29.1 | Very low | 106 Ų | 106 | 94.1 Ų | 94.1 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | trans | -108.9 | 123.5 | -174.4 | -93.2 | 162.6 | 0 | 0 | 0 | 114.1 | V1412 | V1412-L1414 VanDerWaalsContact C-N 3.27Å; V1412-L1414 PolarHBondContact O-N 2.94Å | ||
| 1415 | L | 27.6 | Very low | 28.7 | Very low | 82 Ų | 82 | 99.4 Ų | 99.4 | 43% | 0.429 | 55% | 0.553 | S | S | . | * | trans | 70.2 | 66.5 | 165.3 | -59.1 | 174.9 | 0 | 0 | 0 | 117.2 | M1261 P1417 | M1261-L1415 HydrophobicContact CE-CD1 3.92Å; M1261-L1415 HydrophobicContact CG-CD1 3.46Å; M1261-L1415 VanDerWaalsContact CG-CD1 3.46Å; M1261-L1415 HydrophobicContact SD-CD1 3.29Å; M1261-L1415 WeakPolarHBondContact SD-CD1 3.46Å; L1415-P1417 WeakPolarHBondContact O-CD 3.34Å | ||
| 1416 | K | 23.9 | Very low | 28.7 | Very low | 154 Ų | 154 | 107.8 Ų | 107.8 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | trans | -48.1 | 123.6 | 149.8 | -63.5 | 161.5 | -177.8 | 161.1 | 0 | 110.8 | T1418 | K1416-T1418 VanDerWaalsContact CB-OG1 3.28Å; K1416-T1418 WeakPolarHBondContact CB-OG1 3.38Å; K1416-T1418 PolarHBondContact O-N 3.49Å; K1416-T1418 PolarHBondContact O-OG1 2.84Å | ||
| 1417 | P | 24.3 | Very low | 29.2 | Very low | 133 Ų | 133 | 115.9 Ų | 115.9 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | trans | -69.8 | 80.8 | 161.4 | 29.7 | -33.1 | 0 | 0 | 0 | 109.1 | L1415 M1419 | L1415-P1417 WeakPolarHBondContact O-CD 3.34Å; P1417-M1419 PolarHBondContact O-N 3.23Å | ||
| 1418 | T | 23.4 | Very low | 30.2 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 59% | 0.589 | 63% | 0.626 | S | S | * | * | trans | -85.3 | 94 | -175.2 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | K1416 | K1416-T1418 VanDerWaalsContact CB-OG1 3.28Å; K1416-T1418 WeakPolarHBondContact CB-OG1 3.38Å; K1416-T1418 PolarHBondContact O-N 3.49Å; K1416-T1418 PolarHBondContact O-OG1 2.84Å | ||
| 1419 | M | 23.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 74% | 0.744 | 63% | 0.633 | S | S | * | * | trans | -169.3 | 131.3 | 138.8 | -92.7 | -39 | 137.5 | 0 | 0 | 110.7 | P1417 | P1417-M1419 PolarHBondContact O-N 3.23Š| ||
| 1420 | L | 24.5 | Very low | 32 | Very low | 162 Ų | 162 | 120 Ų | 120 | 85% | 0.848 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 54.8 | 99.5 | 159.9 | -51.4 | 167.2 | 0 | 0 | 0 | 114.5 | ||
| 1421 | I | 27.4 | Very low | 33.8 | Very low | 175 Ų | 175 | 121.8 Ų | 121.8 | 90% | 0.897 | 67% | 0.67 | S | S | * | * | cis | -138.8 | 147.6 | 49.4 | -70.7 | 156.8 | 0 | 0 | 0 | 110.1 | ||||
| 1422 | G | 26.1 | Very low | 35.7 | Very low | 55 Ų | 55 | 117.6 Ų | 117.6 | 57% | 0.567 | 65% | 0.654 | S | S | * | * | trans | -89.1 | 158.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1423 | T | 24.7 | Very low | 37.9 | Very low | 146 Ų | 146 | 113.9 Ų | 113.9 | 90% | 0.896 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 53.4 | 96.3 | 143.7 | 59.8 | 0 | 0 | 0 | 0 | 118.6 | ||
| 1424 | A | 29.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 111.6 Ų | 111.6 | 80% | 0.802 | 62% | 0.615 | S | S | * | * | trans | -168.1 | -38.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1425 | V | 34.6 | Very low | 42.8 | Very low | 127 Ų | 127 | 109 Ų | 109 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | trans | -113 | 57.3 | -152 | -157.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1426 | E | 35.9 | Very low | 45.3 | Very low | 201 Ų | 201 | 105.1 Ų | 105.1 | 94% | 0.939 | 59% | 0.586 | S | S | * | * | trans | -94.1 | 5 | 169.6 | -67.7 | -179.2 | 149.2 | 0 | 0 | 112.9 | ||||
| 1427 | E | 44 | Very low | 48 | Very low | 171 Ų | 171 | 98.2 Ų | 98.2 | 80% | 0.799 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -126 | 143.7 | 174.6 | -78 | -166.2 | 123.3 | 0 | 0 | 111 | ||
| 1428 | P | 50.5 | Low | 50.7 | Low | 64 Ų | 64 | 100.8 Ų | 100.8 | 42% | 0.416 | 55% | 0.55 | S | S | . | . | -116.6 | 133.2 | -56.7 | -1.9 | 23.7 | 0 | 0 | 0 | 110.4 | E1430 N1431 | P1428-E1430 VanDerWaalsContact C-N 3.33Å; P1428-E1430 PolarHBondContact O-N 3.47Å; P1428-N1431 WeakPolarHBondContact CG-ND2 3.46Å; P1428-N1431 WeakPolarHBondContact O-CB 3.33Å; P1428-N1431 PolarHBondContact O-N 2.97Å; P1428-N1431 VanDerWaalsContact O-N 3.09Å | |||
| 1429 | C | 50.6 | Low | 53.6 | Low | 36 Ų | 36 | 99.9 Ų | 99.9 | 24% | 0.243 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -58.9 | -37.8 | -172.4 | -72.7 | 0 | 0 | 0 | 0 | 114.2 | N1431 L1432 V1476 F1479 | C1429-N1431 PolarHBondContact O-N 3.35Å; C1429-L1432 PolarHBondContact O-N 3.26Å; C1429-L1432 VanDerWaalsContact O-N 3.11Å; C1429-V1476 HydrophobicContact CB-CG2 4.46Å; C1429-F1479 HydrophobicContact CB-CB 4.44Å; C1429-F1479 HydrophobicContact CB-CD1 4.24Å; C1429-F1479 HydrophobicContact CB-CD2 3.64Å; C1429-F1479 HydrophobicContact CB-CE1 4.34Å; C1429-F1479 HydrophobicContact CB-CE2 3.77Å; C1429-F1479 HydrophobicContact CB-CG 3.88Å; C1429-F1479 HydrophobicContact CB-CZ 4.1Å; C1429-F1479 VanDerWaalsContact O-CE2 3.27Å; C1429-F1479 WeakPolarHBondContact O-CE2 3.31Å |
| 1430 | E | 53.5 | Low | 56.3 | Low | 141 Ų | 141 | 92.7 Ų | 92.7 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -53.6 | -40.4 | 176.4 | -61.2 | 178.1 | 155.2 | 0 | 0 | 112.2 | P1428 L1432 F1433 H1434 | P1428-E1430 VanDerWaalsContact C-N 3.33Å; P1428-E1430 PolarHBondContact O-N 3.47Å; E1430-L1432 PolarHBondContact O-N 3.38Å; E1430-F1433 PolarHBondContact O-N 3.34Å; E1430-H1434 PolarHBondContact O-N 3.27Å; E1430-H1434 VanDerWaalsContact O-N 3.15Å |
| 1431 | N | 69.1 | Low | 59 | Low | 100 Ų | 100 | 87.3 Ų | 87.3 | 54% | 0.535 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -23.6 | -177.8 | -81.2 | -23.8 | 0 | 0 | 0 | 113.3 | P1428 C1429 S1435 | P1428-N1431 WeakPolarHBondContact CG-ND2 3.46Å; P1428-N1431 WeakPolarHBondContact O-CB 3.33Å; P1428-N1431 PolarHBondContact O-N 2.97Å; P1428-N1431 VanDerWaalsContact O-N 3.09Å; C1429-N1431 PolarHBondContact O-N 3.35Å; N1431-S1435 WeakPolarHBondContact O-CB 3.24Å; N1431-S1435 PolarHBondContact O-N 3.03Å |
| 1432 | L | 72.2 | Confident | 61.6 | Low | 45 Ų | 45 | 81.9 Ų | 81.9 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -71.4 | -55.8 | 177.2 | -171.2 | 90.4 | 0 | 0 | 0 | 110.8 | C1429 E1430 H1434 S1435 I1436 F1479 I1524 | C1429-L1432 PolarHBondContact O-N 3.26Å; C1429-L1432 VanDerWaalsContact O-N 3.11Å; E1430-L1432 PolarHBondContact O-N 3.38Å; L1432-H1434 VanDerWaalsContact C-N 3.26Å; L1432-H1434 PolarHBondContact O-N 3.2Å; L1432-S1435 WeakPolarHBondContact O-CA 3.41Å; L1432-S1435 WeakPolarHBondContact O-CB 3.42Å; L1432-S1435 PolarHBondContact O-N 3.26Å; L1432-I1436 HydrophobicContact CD2-CD1 3.75Å; L1432-I1436 HydrophobicContact CG-CD1 3.84Å; L1432-I1436 HydrophobicContact CG-CG1 4.33Å; L1432-I1436 WeakPolarHBondContact O-CG1 3.08Å; L1432-I1436 PolarHBondContact O-N 3.24Å; L1432-F1479 HydrophobicContact CB-CE2 4.15Å; L1432-F1479 HydrophobicContact CB-CZ 3.95Å; L1432-F1479 HydrophobicContact CD2-CE2 4.2Å; L1432-F1479 HydrophobicContact CD2-CZ 3.73Å; L1432-F1479 HydrophobicContact CG-CZ 4.46Å; L1432-I1524 HydrophobicContact CD1-CD1 3.84Å; L1432-I1524 HydrophobicContact CD2-CD1 3.3Å; L1432-I1524 HydrophobicContact CG-CD1 4.16Å |
| 1433 | F | 75.4 | Confident | 64 | Low | 4 Ų | 4 | 82.7 Ų | 82.7 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.2 | -38.6 | -178.9 | -73.6 | -56.5 | 0 | 0 | 0 | 110.8 | E1430 S1435 I1436 S1437 V1468 S1471 E1472 F1479 A1482 I1483 V1486 L1521 | E1430-F1433 PolarHBondContact O-N 3.34Å; F1433-S1435 VanDerWaalsContact C-N 3.33Å; F1433-S1435 PolarHBondContact O-N 3.3Å; F1433-I1436 PolarHBondContact O-N 3.43Å; F1433-S1437 WeakPolarHBondContact O-CB 3.16Å; F1433-S1437 PolarHBondContact O-N 2.98Å; F1433-V1468 HydrophobicContact CD1-CG1 4.38Å; F1433-S1471 WeakPolarHBondContact CD2-O 3.46Å; F1433-E1472 HydrophobicContact CB-CB 4.47Å; F1433-E1472 HydrophobicContact CB-CG 3.83Å; F1433-F1479 AromaticContact CD2-CD2 3.87Å; F1433-F1479 HydrophobicContact CD2-CD2 3.87Å; F1433-F1479 AromaticContact CD2-CE2 3.77Å; F1433-F1479 HydrophobicContact CD2-CE2 3.77Å; F1433-F1479 AromaticContact CE2-CD2 3.41Å; F1433-F1479 HydrophobicContact CE2-CD2 3.41Å; F1433-F1479 VanDerWaalsContact CE2-CD2 3.41Å; F1433-F1479 AromaticContact CE2-CE2 3.59Å; F1433-F1479 HydrophobicContact CE2-CE2 3.59Å; F1433-F1479 HydrophobicContact CE2-CG 4.45Å; F1433-F1479 HydrophobicContact CZ-CD2 4.3Å; F1433-F1479 HydrophobicContact CZ-CE2 4.3Å; F1433-A1482 HydrophobicContact CE2-CB 3.82Å; F1433-A1482 HydrophobicContact CZ-CB 3.8Å; F1433-I1483 HydrophobicContact CE1-CG1 4.44Å; F1433-I1483 HydrophobicContact CZ-CG1 3.83Å; F1433-V1486 HydrophobicContact CE1-CG2 4.11Å; F1433-L1521 HydrophobicContact CE1-CD2 4.37Å |
| 1434 | H | 78 | Confident | 66.4 | Low | 97 Ų | 97 | 76 Ų | 76 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 172.9 | -124.9 | 18.9 | 0 | 0 | 0 | 113.6 | E1430 L1432 R1438 E1472 | E1430-H1434 PolarHBondContact O-N 3.27Å; E1430-H1434 VanDerWaalsContact O-N 3.15Å; L1432-H1434 VanDerWaalsContact C-N 3.26Å; L1432-H1434 PolarHBondContact O-N 3.2Å; H1434-R1438 WeakPolarHBondContact O-CB 3.43Å; H1434-R1438 WeakPolarHBondContact O-CG 3.47Å; H1434-R1438 PolarHBondContact O-N 3.12Å; H1434-E1472 WeakPolarHBondContact CA-OE1 3.21Å; H1434-E1472 IonicContact CE1-OE1 2.79Å; H1434-E1472 IonicContact CE1-OE2 2.85Å; H1434-E1472 IonicContact CG-OE1 3.19Å; H1434-E1472 VanDerWaalsContact ND1-CD 3.25Å; H1434-E1472 IonicContact ND1-OE1 3.57Å; H1434-E1472 PolarHBondContact ND1-OE1 3.43Å; H1434-E1472 IonicContact ND1-OE2 2.69Å |
| 1435 | S | 79.9 | Confident | 68.6 | Low | 52 Ų | 52 | 77.9 Ų | 77.9 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69 | -47.4 | 173.1 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | N1431 L1432 F1433 R1438 K1439 | N1431-S1435 WeakPolarHBondContact O-CB 3.24Å; N1431-S1435 PolarHBondContact O-N 3.03Å; L1432-S1435 WeakPolarHBondContact O-CA 3.41Å; L1432-S1435 WeakPolarHBondContact O-CB 3.42Å; L1432-S1435 PolarHBondContact O-N 3.26Å; F1433-S1435 VanDerWaalsContact C-N 3.33Å; F1433-S1435 PolarHBondContact O-N 3.3Å; S1435-R1438 PolarHBondContact O-N 3.32Å; S1435-K1439 WeakPolarHBondContact O-CG 3.35Å; S1435-K1439 PolarHBondContact O-N 3.39Å |
| 1436 | I | 80.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 177.1 | -64.5 | 173.5 | 0 | 0 | 0 | 110.1 | L1432 F1433 R1438 K1439 V1440 V1468 V1517 D1520 L1521 | L1432-I1436 HydrophobicContact CD2-CD1 3.75Å; L1432-I1436 HydrophobicContact CG-CD1 3.84Å; L1432-I1436 HydrophobicContact CG-CG1 4.33Å; L1432-I1436 WeakPolarHBondContact O-CG1 3.08Å; L1432-I1436 PolarHBondContact O-N 3.24Å; F1433-I1436 PolarHBondContact O-N 3.43Å; I1436-R1438 PolarHBondContact O-N 3.37Å; I1436-K1439 WeakPolarHBondContact O-CA 3.39Å; I1436-K1439 WeakPolarHBondContact O-CB 3.37Å; I1436-K1439 PolarHBondContact O-N 3.09Å; I1436-V1440 HydrophobicContact CG2-CG2 4.42Å; I1436-V1440 WeakPolarHBondContact O-CG2 3.49Å; I1436-V1440 PolarHBondContact O-N 3.48Å; I1436-V1468 HydrophobicContact CB-CG1 4.11Å; I1436-V1468 HydrophobicContact CG2-CG1 3.78Å; I1436-V1468 HydrophobicContact CG2-CG2 4.08Å; I1436-V1517 HydrophobicContact CG2-CB 4.22Å; I1436-V1517 HydrophobicContact CG2-CG1 3.67Å; I1436-V1517 HydrophobicContact CG2-CG2 3.75Å; I1436-D1520 HydrophobicContact CD1-CB 3.94Å; I1436-D1520 HydrophobicContact CG1-CB 4.12Å; I1436-L1521 HydrophobicContact CD1-CD2 4.2Å |
| 1437 | S | 79.6 | Confident | 71.7 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -53 | -50.3 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | F1433 K1439 V1440 D1441 E1472 | F1433-S1437 WeakPolarHBondContact O-CB 3.16Å; F1433-S1437 PolarHBondContact O-N 2.98Å; S1437-K1439 PolarHBondContact O-N 3.34Å; S1437-V1440 PolarHBondContact O-N 3.23Å; S1437-D1441 PolarHBondContact O-N 2.94Å; S1437-E1472 WeakPolarHBondContact CB-OE1 3.3Å; S1437-E1472 PolarHBondContact OG-OE1 2.9Å |
| 1438 | R | 82.6 | Confident | 72.5 | Confident | 188 Ų | 188 | 68.1 Ų | 68.1 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | 172.9 | -79.9 | -178.4 | 173 | -174.1 | 0.9 | 113.9 | H1434 S1435 I1436 A1442 | H1434-R1438 WeakPolarHBondContact O-CB 3.43Å; H1434-R1438 WeakPolarHBondContact O-CG 3.47Å; H1434-R1438 PolarHBondContact O-N 3.12Å; S1435-R1438 PolarHBondContact O-N 3.32Å; I1436-R1438 PolarHBondContact O-N 3.37Å; R1438-A1442 WeakPolarHBondContact O-CB 3.45Å; R1438-A1442 PolarHBondContact O-N 3.06Å |
| 1439 | K | 82.7 | Confident | 73 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 174.8 | -68.9 | 171.9 | -169.8 | 177.6 | 0 | 111.3 | S1435 I1436 S1437 R1443 M1516 D1520 | S1435-K1439 WeakPolarHBondContact O-CG 3.35Å; S1435-K1439 PolarHBondContact O-N 3.39Å; I1436-K1439 WeakPolarHBondContact O-CA 3.39Å; I1436-K1439 WeakPolarHBondContact O-CB 3.37Å; I1436-K1439 PolarHBondContact O-N 3.09Å; S1437-K1439 PolarHBondContact O-N 3.34Å; K1439-R1443 PolarHBondContact O-N 3.24Å; K1439-M1516 HydrophobicContact CB-CE 3.71Å; K1439-M1516 HydrophobicContact CB-SD 3.84Å; K1439-M1516 HydrophobicContact CD-SD 4.47Å; K1439-D1520 IonicContact NZ-OD1 3.33Å; K1439-D1520 PolarHBondContact NZ-OD1 3.27Å; K1439-D1520 IonicContact NZ-OD2 2.81Å; K1439-D1520 PolarHBondContact NZ-OD2 2.87Å |
| 1440 | V | 81 | Confident | 73.3 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.6 | -49.8 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | I1436 S1437 A1442 R1443 L1444 R1465 I1513 M1516 V1517 | I1436-V1440 HydrophobicContact CG2-CG2 4.42Å; I1436-V1440 WeakPolarHBondContact O-CG2 3.49Å; I1436-V1440 PolarHBondContact O-N 3.48Å; S1437-V1440 PolarHBondContact O-N 3.23Å; V1440-A1442 VanDerWaalsContact C-N 3.3Å; V1440-A1442 PolarHBondContact O-N 2.93Å; V1440-R1443 PolarHBondContact O-N 3.09Å; V1440-R1443 VanDerWaalsContact O-N 3.09Å; V1440-L1444 HydrophobicContact CG1-CD1 4.12Å; V1440-L1444 WeakPolarHBondContact O-CB 3.46Å; V1440-L1444 PolarHBondContact O-N 2.77Å; V1440-R1465 HydrophobicContact CG1-CB 3.81Å; V1440-R1465 HydrophobicContact CG1-CG 4.38Å; V1440-I1513 HydrophobicContact CG1-CG2 4.47Å; V1440-I1513 HydrophobicContact CG2-CG2 4.19Å; V1440-M1516 HydrophobicContact CB-CE 4.5Å; V1440-M1516 HydrophobicContact CG2-CE 3.69Å; V1440-V1517 HydrophobicContact CG2-CG2 3.71Å |
| 1441 | D | 81.5 | Confident | 73 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 176.6 | -96.8 | 1.1 | 0 | 0 | 0 | 111.9 | S1437 R1443 L1444 Q1445 R1465 | S1437-D1441 PolarHBondContact O-N 2.94Å; D1441-R1443 PolarHBondContact O-N 2.98Å; D1441-L1444 PolarHBondContact O-N 3.49Å; D1441-Q1445 WeakPolarHBondContact O-CB 3.1Å; D1441-Q1445 WeakPolarHBondContact O-CG 3.49Å; D1441-Q1445 PolarHBondContact O-N 3.05Å; D1441-R1465 VanDerWaalsContact OD1-CD 3.32Å; D1441-R1465 WeakPolarHBondContact OD1-CD 3.31Å; D1441-R1465 IonicContact OD1-CZ 3.76Å; D1441-R1465 IonicContact OD1-NE 2.72Å; D1441-R1465 PolarHBondContact OD1-NE 2.72Å; D1441-R1465 IonicContact OD1-NH2 3.9Å; D1441-R1465 IonicContact OD2-NE 3.31Å; D1441-R1465 IonicContact OD2-NH2 3.09Å |
| 1442 | A | 81.8 | Confident | 72.2 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.8 | -33.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1438 V1440 | R1438-A1442 WeakPolarHBondContact O-CB 3.45Å; R1438-A1442 PolarHBondContact O-N 3.06Å; V1440-A1442 VanDerWaalsContact C-N 3.3Å; V1440-A1442 PolarHBondContact O-N 2.93Å |
| 1443 | R | 77.4 | Confident | 71.3 | Confident | 71 Ų | 71 | 74 Ų | 74 | 27% | 0.268 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.9 | -42 | 171.6 | -96.4 | -174.4 | 163 | 163 | -4.2 | 111.9 | K1439 V1440 D1441 K1446 Y1447 D1512 I1513 | K1439-R1443 PolarHBondContact O-N 3.24Å; V1440-R1443 PolarHBondContact O-N 3.09Å; V1440-R1443 VanDerWaalsContact O-N 3.09Å; D1441-R1443 PolarHBondContact O-N 2.98Å; R1443-K1446 WeakPolarHBondContact O-CB 3.39Å; R1443-K1446 PolarHBondContact O-N 2.78Å; R1443-Y1447 PolarHBondContact O-N 2.82Å; R1443-D1512 IonicContact CZ-OD1 3.47Å; R1443-D1512 IonicContact CZ-OD2 2.92Å; R1443-D1512 VanDerWaalsContact CZ-OD2 3.25Å; R1443-D1512 IonicContact NE-OD2 3.43Å; R1443-D1512 VanDerWaalsContact NH1-C 3.31Å; R1443-D1512 VanDerWaalsContact NH1-CG 3.29Å; R1443-D1512 PolarHBondContact NH1-O 3.27Å; R1443-D1512 IonicContact NH1-OD1 2.69Å; R1443-D1512 PolarHBondContact NH1-OD1 2.78Å; R1443-D1512 IonicContact NH1-OD2 3.78Å; R1443-D1512 IonicContact NH2-OD1 2.62Å; R1443-D1512 PolarHBondContact NH2-OD1 2.98Å; R1443-D1512 IonicContact NH2-OD2 2.63Å; R1443-D1512 PolarHBondContact NH2-OD2 3.05Å; R1443-I1513 HydrophobicContact CB-CD1 4.27Å; R1443-I1513 HydrophobicContact CB-CG1 4.35Å |
| 1444 | L | 74.4 | Confident | 70.3 | Confident | 7 Ų | 7 | 77.3 Ų | 77.3 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 176.7 | -94.2 | 170.3 | 0 | 0 | 0 | 112.6 | V1440 D1441 K1446 Y1447 A1448 L1461 F1462 R1465 | V1440-L1444 HydrophobicContact CG1-CD1 4.12Å; V1440-L1444 WeakPolarHBondContact O-CB 3.46Å; V1440-L1444 PolarHBondContact O-N 2.77Å; D1441-L1444 PolarHBondContact O-N 3.49Å; L1444-K1446 PolarHBondContact O-N 3.44Å; L1444-Y1447 CarbonylContact O-C 3.56Å; L1444-Y1447 PolarHBondContact O-N 3.05Å; L1444-A1448 PolarHBondContact O-N 3.32Å; L1444-L1461 HydrophobicContact CD2-CB 3.7Å; L1444-L1461 HydrophobicContact CD2-CD1 4.25Å; L1444-F1462 HydrophobicContact CD1-CD1 4.33Å; L1444-F1462 HydrophobicContact CD1-CE1 4.5Å; L1444-F1462 HydrophobicContact CD2-CE1 4.36Å; L1444-R1465 HydrophobicContact CD1-CB 3.76Å; L1444-R1465 HydrophobicContact CD1-CG 4.08Å |
| 1445 | Q | 74.5 | Confident | 69.2 | Low | 136 Ų | 136 | 74.5 Ų | 74.5 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.6 | -34.2 | 176.4 | -78.4 | -170.6 | -3.2 | 0 | 0 | 112.4 | D1441 Y1447 A1448 | D1441-Q1445 WeakPolarHBondContact O-CB 3.1Å; D1441-Q1445 WeakPolarHBondContact O-CG 3.49Å; D1441-Q1445 PolarHBondContact O-N 3.05Å; Q1445-Y1447 VanDerWaalsContact C-N 3.25Å; Q1445-Y1447 PolarHBondContact O-N 2.89Å; Q1445-A1448 PolarHBondContact O-N 2.69Å |
| 1446 | K | 72.5 | Confident | 67.7 | Low | 164 Ų | 164 | 77.5 Ų | 77.5 | 71% | 0.713 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69.3 | -22.2 | 178.6 | -153.6 | 176.4 | -175.2 | -176.9 | 0 | 113.1 | R1443 L1444 | R1443-K1446 WeakPolarHBondContact O-CB 3.39Å; R1443-K1446 PolarHBondContact O-N 2.78Å; L1444-K1446 PolarHBondContact O-N 3.44Å |
| 1447 | Y | 64 | Low | 66.5 | Low | 62 Ų | 62 | 78 Ų | 78 | 24% | 0.243 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -102.4 | -20.6 | 174.2 | -113.1 | -114.2 | 0 | 0 | 0 | 114.2 | R1443 L1444 Q1445 Q1449 S1450 D1505 M1509 | R1443-Y1447 PolarHBondContact O-N 2.82Å; L1444-Y1447 CarbonylContact O-C 3.56Å; L1444-Y1447 PolarHBondContact O-N 3.05Å; Q1445-Y1447 VanDerWaalsContact C-N 3.25Å; Q1445-Y1447 PolarHBondContact O-N 2.89Å; Y1447-Q1449 PolarHBondContact O-N 3.12Å; Y1447-Q1449 VanDerWaalsContact O-N 3.14Å; Y1447-S1450 PolarHBondContact O-N 3.4Å; Y1447-S1450 VanDerWaalsContact O-O 3.06Å; Y1447-S1450 PolarHBondContact O-OG 3.21Å; Y1447-D1505 WeakPolarHBondContact OH-CB 3.46Å; Y1447-M1509 HydrophobicContact CD1-CE 4.33Å; Y1447-M1509 HydrophobicContact CD1-SD 4.15Å; Y1447-M1509 HydrophobicContact CD2-CE 3.26Å; Y1447-M1509 HydrophobicContact CD2-SD 4.09Å; Y1447-M1509 HydrophobicContact CE2-CE 3.79Å; Y1447-M1509 HydrophobicContact CG-CE 3.58Å; Y1447-M1509 HydrophobicContact CG-SD 3.75Å |
| 1448 | A | 61.2 | Low | 66 | Low | 68 Ų | 68 | 78.7 Ų | 78.7 | 56% | 0.562 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.7 | -18.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1444 Q1445 S1450 Y1458 | L1444-A1448 PolarHBondContact O-N 3.32Å; Q1445-A1448 PolarHBondContact O-N 2.69Å; A1448-S1450 VanDerWaalsContact C-N 3.32Å; A1448-Y1458 WeakPolarHBondContact CA-OH 3.44Å |
| 1449 | Q | 60.7 | Low | 65.4 | Low | 171 Ų | 171 | 76.3 Ų | 76.3 | 80% | 0.799 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -8.6 | 172.8 | -63.6 | 179.8 | 5.7 | 0 | 0 | 113.5 | Y1447 | Y1447-Q1449 PolarHBondContact O-N 3.12Å; Y1447-Q1449 VanDerWaalsContact O-N 3.14Å |
| 1450 | S | 57.1 | Low | 64.8 | Low | 43 Ų | 43 | 72.9 Ų | 72.9 | 30% | 0.301 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -112.9 | 117 | 175.7 | 42.2 | 0 | 0 | 0 | 0 | 110.7 | Y1447 A1448 M1452 | Y1447-S1450 PolarHBondContact O-N 3.4Å; Y1447-S1450 VanDerWaalsContact O-O 3.06Å; Y1447-S1450 PolarHBondContact O-OG 3.21Å; A1448-S1450 VanDerWaalsContact C-N 3.32Å; S1450-M1452 VanDerWaalsContact C-N 3.33Å; S1450-M1452 PolarHBondContact O-N 3.14Å |
| 1451 | S | 46.9 | Very low | 64.4 | Low | 115 Ų | 115 | 72.9 Ų | 72.9 | 80% | 0.804 | 42% | 0.421 | S | S | * | . | trans | -68.2 | 67.1 | -161.5 | -48.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1452 | M | 52.8 | Low | 64.2 | Low | 79 Ų | 79 | 74.5 Ų | 74.5 | 39% | 0.389 | 43% | 0.426 | S | S | . | . | trans | -107.8 | 17.7 | -173 | -70.3 | -70.8 | 107.9 | 0 | 0 | 115.1 | S1450 G1454 V1455 Y1458 | S1450-M1452 VanDerWaalsContact C-N 3.33Å; S1450-M1452 PolarHBondContact O-N 3.14Å; M1452-G1454 PolarHBondContact O-N 3.48Å; M1452-V1455 HydrophobicContact CB-CG2 4.39Å; M1452-V1455 PolarHBondContact O-N 3.26Å; M1452-V1455 VanDerWaalsContact O-N 3.14Å; M1452-V1455 HydrophobicContact SD-CG2 4.05Å; M1452-Y1458 HydrophobicContact CB-CD2 3.9Å; M1452-Y1458 HydrophobicContact CB-CE2 3.91Å | ||
| 1453 | S | 52.7 | Low | 63.8 | Low | 100 Ų | 100 | 73.5 Ų | 73.5 | 70% | 0.699 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -8.6 | -171.8 | 54.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1454 | G | 54.2 | Low | 63.7 | Low | 75 Ų | 75 | 70.2 Ų | 70.2 | 77% | 0.773 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -0.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1452 | M1452-G1454 PolarHBondContact O-N 3.48Š|
| 1455 | V | 54.4 | Low | 63.9 | Low | 37 Ų | 37 | 73.2 Ų | 73.2 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -87.4 | 130 | -175.6 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | M1452 G1457 Y1458 N1503 L1506 | M1452-V1455 HydrophobicContact CB-CG2 4.39Å; M1452-V1455 PolarHBondContact O-N 3.26Å; M1452-V1455 VanDerWaalsContact O-N 3.14Å; M1452-V1455 HydrophobicContact SD-CG2 4.05Å; V1455-G1457 VanDerWaalsContact C-N 3.31Å; V1455-G1457 PolarHBondContact O-N 3.46Å; V1455-G1457 VanDerWaalsContact O-N 3.13Å; V1455-Y1458 WeakPolarHBondContact O-CB 3.17Å; V1455-Y1458 PolarHBondContact O-N 3.13Å; V1455-N1503 HydrophobicContact CG1-CB 4.42Å; V1455-L1506 HydrophobicContact CB-CD2 4.08Å; V1455-L1506 HydrophobicContact CG1-CD2 3.44Å; V1455-L1506 VanDerWaalsContact CG1-CD2 3.44Å |
| 1456 | P | 49.1 | Very low | 64.1 | Low | 116 Ų | 116 | 69.8 Ų | 69.8 | 75% | 0.753 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.8 | -173.5 | -31.1 | 36.4 | 0 | 0 | 0 | 115.8 | Y1458 | P1456-Y1458 PolarHBondContact O-N 2.77Š|
| 1457 | G | 56.3 | Low | 64.1 | Low | 11 Ų | 11 | 62.3 Ų | 62.3 | 11% | 0.113 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -7.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1455 H1459 A1460 | V1455-G1457 VanDerWaalsContact C-N 3.31Å; V1455-G1457 PolarHBondContact O-N 3.46Å; V1455-G1457 VanDerWaalsContact O-N 3.13Å; G1457-H1459 VanDerWaalsContact C-N 3.28Å; G1457-H1459 PolarHBondContact O-N 3.45Å; G1457-A1460 WeakPolarHBondContact O-CB 3.48Å; G1457-A1460 PolarHBondContact O-N 3.29Å |
| 1458 | Y | 68.6 | Low | 64.8 | Low | 22 Ų | 22 | 59.3 Ų | 59.3 | 9% | 0.086 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.2 | -31.7 | 179.1 | -155.1 | -94.7 | 0 | 0 | 0 | 111.3 | A1448 M1452 V1455 P1456 A1460 L1461 F1462 | A1448-Y1458 WeakPolarHBondContact CA-OH 3.44Å; M1452-Y1458 HydrophobicContact CB-CD2 3.9Å; M1452-Y1458 HydrophobicContact CB-CE2 3.91Å; V1455-Y1458 WeakPolarHBondContact O-CB 3.17Å; V1455-Y1458 PolarHBondContact O-N 3.13Å; P1456-Y1458 PolarHBondContact O-N 2.77Å; Y1458-A1460 VanDerWaalsContact C-N 3.28Å; Y1458-A1460 PolarHBondContact O-N 2.91Å; Y1458-L1461 HydrophobicContact CD2-CD1 4.22Å; Y1458-L1461 HydrophobicContact CE2-CD1 4.32Å; Y1458-L1461 PolarHBondContact O-N 2.9Å; Y1458-F1462 HydrophobicContact CD1-CD2 4.4Å; Y1458-F1462 AromaticContact CD1-CE2 3.79Å; Y1458-F1462 HydrophobicContact CD1-CE2 3.79Å; Y1458-F1462 AromaticContact CE1-CE2 3.62Å; Y1458-F1462 HydrophobicContact CE1-CE2 3.62Å; Y1458-F1462 HydrophobicContact CE1-CZ 4.17Å; Y1458-F1462 WeakPolarHBondContact O-CD2 3.06Å |
| 1459 | H | 69.4 | Low | 65.5 | Low | 138 Ų | 138 | 58.2 Ų | 58.2 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.3 | -28 | 169.6 | -70.7 | -75.6 | 0 | 0 | 0 | 113.2 | G1457 L1461 F1462 A1463 | G1457-H1459 VanDerWaalsContact C-N 3.28Å; G1457-H1459 PolarHBondContact O-N 3.45Å; H1459-L1461 VanDerWaalsContact C-N 3.32Å; H1459-L1461 PolarHBondContact O-N 3.43Å; H1459-F1462 PolarHBondContact O-N 2.74Å; H1459-A1463 PolarHBondContact O-N 3.07Å |
| 1460 | A | 69.6 | Low | 65.8 | Low | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.4 | -33.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | G1457 Y1458 A1463 M1464 I1493 S1497 L1510 | G1457-A1460 WeakPolarHBondContact O-CB 3.48Å; G1457-A1460 PolarHBondContact O-N 3.29Å; Y1458-A1460 VanDerWaalsContact C-N 3.28Å; Y1458-A1460 PolarHBondContact O-N 2.91Å; A1460-A1463 PolarHBondContact O-N 3.16Å; A1460-M1464 WeakPolarHBondContact O-CG 3.37Å; A1460-M1464 PolarHBondContact O-N 3.02Å; A1460-I1493 HydrophobicContact CB-CG2 3.71Å; A1460-S1497 VanDerWaalsContact CB-OG 3.31Å; A1460-S1497 WeakPolarHBondContact CB-OG 3.39Å; A1460-L1510 HydrophobicContact CB-CD1 4.3Å; A1460-L1510 HydrophobicContact CB-CD2 3.8Å |
| 1461 | L | 73.8 | Confident | 66.5 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 174.1 | -57.8 | 175.4 | 0 | 0 | 0 | 111.8 | L1444 Y1458 H1459 M1464 R1465 L1506 M1509 L1510 I1513 | L1444-L1461 HydrophobicContact CD2-CB 3.7Å; L1444-L1461 HydrophobicContact CD2-CD1 4.25Å; Y1458-L1461 HydrophobicContact CD2-CD1 4.22Å; Y1458-L1461 HydrophobicContact CE2-CD1 4.32Å; Y1458-L1461 PolarHBondContact O-N 2.9Å; H1459-L1461 VanDerWaalsContact C-N 3.32Å; H1459-L1461 PolarHBondContact O-N 3.43Å; L1461-M1464 PolarHBondContact O-N 3.41Å; L1461-R1465 PolarHBondContact O-N 3.24Å; L1461-R1465 VanDerWaalsContact O-N 3.17Å; L1461-L1506 HydrophobicContact CD1-CD1 3.6Å; L1461-L1506 HydrophobicContact CD2-CD1 4.29Å; L1461-L1506 HydrophobicContact CG-CD1 3.92Å; L1461-M1509 HydrophobicContact CD1-SD 4.04Å; L1461-M1509 HydrophobicContact CD2-CB 4.47Å; L1461-M1509 HydrophobicContact CD2-CG 3.79Å; L1461-M1509 HydrophobicContact CD2-SD 4.29Å; L1461-L1510 HydrophobicContact CD2-CD2 3.73Å; L1461-L1510 HydrophobicContact CD2-CG 3.86Å; L1461-L1510 HydrophobicContact CG-CD2 4.45Å; L1461-I1513 HydrophobicContact CD2-CD1 4.05Å |
| 1462 | F | 76.4 | Confident | 67.4 | Low | 83 Ų | 83 | 51 Ų | 51 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 173.3 | -69.7 | -67.4 | 0 | 0 | 0 | 111.8 | L1444 Y1458 H1459 M1464 R1465 D1466 | L1444-F1462 HydrophobicContact CD1-CD1 4.33Å; L1444-F1462 HydrophobicContact CD1-CE1 4.5Å; L1444-F1462 HydrophobicContact CD2-CE1 4.36Å; Y1458-F1462 HydrophobicContact CD1-CD2 4.4Å; Y1458-F1462 AromaticContact CD1-CE2 3.79Å; Y1458-F1462 HydrophobicContact CD1-CE2 3.79Å; Y1458-F1462 AromaticContact CE1-CE2 3.62Å; Y1458-F1462 HydrophobicContact CE1-CE2 3.62Å; Y1458-F1462 HydrophobicContact CE1-CZ 4.17Å; Y1458-F1462 WeakPolarHBondContact O-CD2 3.06Å; H1459-F1462 PolarHBondContact O-N 2.74Å; F1462-M1464 VanDerWaalsContact C-N 3.29Å; F1462-M1464 PolarHBondContact O-N 2.93Å; F1462-R1465 WeakPolarHBondContact O-CB 3.31Å; F1462-R1465 PolarHBondContact O-N 3.14Å; F1462-R1465 VanDerWaalsContact O-N 3.17Å; F1462-D1466 WeakPolarHBondContact O-CB 3.5Å; F1462-D1466 PolarHBondContact O-N 3Å |
| 1463 | A | 73.7 | Confident | 67.8 | Low | 41 Ų | 41 | 55.4 Ų | 55.4 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -35.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | H1459 A1460 A1467 I1493 | H1459-A1463 PolarHBondContact O-N 3.07Å; A1460-A1463 PolarHBondContact O-N 3.16Å; A1463-A1467 VanDerWaalsContact O-CB 3.28Å; A1463-A1467 WeakPolarHBondContact O-CB 3.41Å; A1463-A1467 PolarHBondContact O-N 3.06Å; A1463-I1493 HydrophobicContact CB-CD1 3.77Å; A1463-I1493 HydrophobicContact CB-CG1 4.22Å |
| 1464 | M | 75.5 | Confident | 67.8 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 173.5 | -71.2 | -166.8 | 166.4 | 0 | 0 | 111.9 | A1460 L1461 F1462 V1468 L1490 I1493 L1510 I1513 F1514 | A1460-M1464 WeakPolarHBondContact O-CG 3.37Å; A1460-M1464 PolarHBondContact O-N 3.02Å; L1461-M1464 PolarHBondContact O-N 3.41Å; F1462-M1464 VanDerWaalsContact C-N 3.29Å; F1462-M1464 PolarHBondContact O-N 2.93Å; M1464-V1468 PolarHBondContact O-N 3.48Å; M1464-L1490 HydrophobicContact CB-CD2 3.74Å; M1464-L1490 HydrophobicContact CE-CD2 4.33Å; M1464-L1490 HydrophobicContact CG-CD2 3.56Å; M1464-L1490 HydrophobicContact SD-CD2 4.01Å; M1464-I1493 HydrophobicContact CE-CB 4.32Å; M1464-I1493 HydrophobicContact CE-CG2 3.93Å; M1464-I1493 HydrophobicContact CG-CB 4.42Å; M1464-I1493 HydrophobicContact CG-CD1 3.96Å; M1464-I1493 HydrophobicContact CG-CG2 3.93Å; M1464-L1510 HydrophobicContact CE-CD2 3.75Å; M1464-L1510 HydrophobicContact SD-CD2 3.92Å; M1464-I1513 HydrophobicContact CB-CG2 4.45Å; M1464-I1513 HydrophobicContact SD-CB 4.25Å; M1464-I1513 HydrophobicContact SD-CG2 3.77Å; M1464-F1514 HydrophobicContact CE-CB 4.09Å; M1464-F1514 HydrophobicContact CE-CD2 4.36Å |
| 1465 | R | 78.8 | Confident | 67.5 | Low | 70 Ų | 70 | 50.9 Ų | 50.9 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 174.3 | 172.7 | -158.6 | -176 | -98.4 | -4.8 | 111.4 | V1440 D1441 L1444 L1461 F1462 A1467 V1468 I1469 | V1440-R1465 HydrophobicContact CG1-CB 3.81Å; V1440-R1465 HydrophobicContact CG1-CG 4.38Å; D1441-R1465 VanDerWaalsContact OD1-CD 3.32Å; D1441-R1465 WeakPolarHBondContact OD1-CD 3.31Å; D1441-R1465 IonicContact OD1-CZ 3.76Å; D1441-R1465 IonicContact OD1-NE 2.72Å; D1441-R1465 PolarHBondContact OD1-NE 2.72Å; D1441-R1465 IonicContact OD1-NH2 3.9Å; D1441-R1465 IonicContact OD2-NE 3.31Å; D1441-R1465 IonicContact OD2-NH2 3.09Å; L1444-R1465 HydrophobicContact CD1-CB 3.76Å; L1444-R1465 HydrophobicContact CD1-CG 4.08Å; L1461-R1465 PolarHBondContact O-N 3.24Å; L1461-R1465 VanDerWaalsContact O-N 3.17Å; F1462-R1465 WeakPolarHBondContact O-CB 3.31Å; F1462-R1465 PolarHBondContact O-N 3.14Å; F1462-R1465 VanDerWaalsContact O-N 3.17Å; R1465-A1467 VanDerWaalsContact C-N 3.27Å; R1465-A1467 PolarHBondContact O-N 3.39Å; R1465-V1468 WeakPolarHBondContact O-CA 3.34Å; R1465-V1468 WeakPolarHBondContact O-CB 3.38Å; R1465-V1468 PolarHBondContact O-N 3.26Å; R1465-I1469 HydrophobicContact CG-CD1 3.75Å; R1465-I1469 HydrophobicContact CG-CG1 4.44Å; R1465-I1469 PolarHBondContact O-N 2.77Å |
| 1466 | D | 77.9 | Confident | 67.3 | Low | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.5 | -27.8 | -173.8 | -60.2 | -18.6 | 0 | 0 | 0 | 111.1 | F1462 I1469 L1470 | F1462-D1466 WeakPolarHBondContact O-CB 3.5Å; F1462-D1466 PolarHBondContact O-N 3Å; D1466-I1469 PolarHBondContact O-N 3.36Å; D1466-L1470 VanDerWaalsContact O-CB 3.25Å; D1466-L1470 WeakPolarHBondContact O-CB 3.2Å; D1466-L1470 WeakPolarHBondContact O-CD1 3.28Å; D1466-L1470 WeakPolarHBondContact O-CG 3.41Å; D1466-L1470 PolarHBondContact O-N 2.82Å |
| 1467 | A | 74.1 | Confident | 67.1 | Low | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1463 R1465 S1471 K1489 | A1463-A1467 VanDerWaalsContact O-CB 3.28Å; A1463-A1467 WeakPolarHBondContact O-CB 3.41Å; A1463-A1467 PolarHBondContact O-N 3.06Å; R1465-A1467 VanDerWaalsContact C-N 3.27Å; R1465-A1467 PolarHBondContact O-N 3.39Å; A1467-S1471 PolarHBondContact O-OG 2.79Å; A1467-K1489 HydrophobicContact CB-CB 4.1Å; A1467-K1489 HydrophobicContact CB-CD 3.9Å |
| 1468 | V | 77.6 | Confident | 67.2 | Low | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.8 | -41.3 | 175.3 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | F1433 I1436 M1464 R1465 L1470 S1471 E1472 V1486 V1517 | F1433-V1468 HydrophobicContact CD1-CG1 4.38Å; I1436-V1468 HydrophobicContact CB-CG1 4.11Å; I1436-V1468 HydrophobicContact CG2-CG1 3.78Å; I1436-V1468 HydrophobicContact CG2-CG2 4.08Å; M1464-V1468 PolarHBondContact O-N 3.48Å; R1465-V1468 WeakPolarHBondContact O-CA 3.34Å; R1465-V1468 WeakPolarHBondContact O-CB 3.38Å; R1465-V1468 PolarHBondContact O-N 3.26Å; V1468-L1470 PolarHBondContact O-N 3.28Å; V1468-S1471 WeakPolarHBondContact CA-OG 3.23Å; V1468-S1471 PolarHBondContact O-N 3.05Å; V1468-S1471 PolarHBondContact O-OG 2.82Å; V1468-E1472 PolarHBondContact O-N 3.21Å; V1468-V1486 HydrophobicContact CG2-CG1 4.11Å; V1468-V1517 HydrophobicContact CG2-CG1 4.27Å |
| 1469 | I | 76.5 | Confident | 66.9 | Low | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 178.2 | -66.9 | 174.6 | 0 | 0 | 0 | 111.2 | R1465 D1466 S1471 E1472 | R1465-I1469 HydrophobicContact CG-CD1 3.75Å; R1465-I1469 HydrophobicContact CG-CG1 4.44Å; R1465-I1469 PolarHBondContact O-N 2.77Å; D1466-I1469 PolarHBondContact O-N 3.36Å; I1469-S1471 PolarHBondContact O-N 3.28Å; I1469-E1472 WeakPolarHBondContact O-CB 3.23Å; I1469-E1472 PolarHBondContact O-N 3.35Å |
| 1470 | L | 66.6 | Low | 66.8 | Low | 123 Ų | 123 | 51.1 Ų | 51.1 | 64% | 0.644 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.9 | -2.8 | 173.5 | -71.7 | 169.1 | 0 | 0 | 0 | 113.9 | D1466 V1468 | D1466-L1470 VanDerWaalsContact O-CB 3.25Å; D1466-L1470 WeakPolarHBondContact O-CB 3.2Å; D1466-L1470 WeakPolarHBondContact O-CD1 3.28Å; D1466-L1470 WeakPolarHBondContact O-CG 3.41Å; D1466-L1470 PolarHBondContact O-N 2.82Å; V1468-L1470 PolarHBondContact O-N 3.28Å |
| 1471 | S | 71 | Confident | 66.7 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -112.2 | -5.4 | 171.3 | 36.1 | 0 | 0 | 0 | 0 | 114 | F1433 A1467 V1468 I1469 Q1473 A1474 V1486 | F1433-S1471 WeakPolarHBondContact CD2-O 3.46Å; A1467-S1471 PolarHBondContact O-OG 2.79Å; V1468-S1471 WeakPolarHBondContact CA-OG 3.23Å; V1468-S1471 PolarHBondContact O-N 3.05Å; V1468-S1471 PolarHBondContact O-OG 2.82Å; I1469-S1471 PolarHBondContact O-N 3.28Å; S1471-Q1473 PolarHBondContact O-N 2.93Å; S1471-A1474 WeakPolarHBondContact O-CB 3.36Å; S1471-A1474 PolarHBondContact O-N 2.68Å; S1471-V1486 WeakPolarHBondContact OG-CG2 3.21Å |
| 1472 | E | 67.4 | Low | 66.5 | Low | 50 Ų | 50 | 52.7 Ų | 52.7 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -24.6 | 166.3 | -67.2 | -179.8 | 156.3 | 0 | 0 | 112.1 | F1433 H1434 S1437 V1468 I1469 | F1433-E1472 HydrophobicContact CB-CB 4.47Å; F1433-E1472 HydrophobicContact CB-CG 3.83Å; H1434-E1472 WeakPolarHBondContact CA-OE1 3.21Å; H1434-E1472 IonicContact CE1-OE1 2.79Å; H1434-E1472 IonicContact CE1-OE2 2.85Å; H1434-E1472 IonicContact CG-OE1 3.19Å; H1434-E1472 VanDerWaalsContact ND1-CD 3.25Å; H1434-E1472 IonicContact ND1-OE1 3.57Å; H1434-E1472 PolarHBondContact ND1-OE1 3.43Å; H1434-E1472 IonicContact ND1-OE2 2.69Å; S1437-E1472 WeakPolarHBondContact CB-OE1 3.3Å; S1437-E1472 PolarHBondContact OG-OE1 2.9Å; V1468-E1472 PolarHBondContact O-N 3.21Å; I1469-E1472 WeakPolarHBondContact O-CB 3.23Å; I1469-E1472 PolarHBondContact O-N 3.35Å |
| 1473 | Q | 60.6 | Low | 66.7 | Low | 171 Ų | 171 | 48.7 Ų | 48.7 | 80% | 0.799 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.9 | 177.1 | -62.5 | -175.2 | -10.9 | 0 | 0 | 113.8 | S1471 | S1471-Q1473 PolarHBondContact O-N 2.93Š|
| 1474 | A | 53.5 | Low | 66.8 | Low | 29 Ų | 29 | 48 Ų | 48 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | trans | -73.1 | 137.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1471 D1478 A1482 | S1471-A1474 WeakPolarHBondContact O-CB 3.36Å; S1471-A1474 PolarHBondContact O-N 2.68Å; A1474-D1478 HydrophobicContact CB-CB 4.31Å; A1474-A1482 HydrophobicContact CB-CB 3.53Å | ||
| 1475 | S | 47.7 | Very low | 66.7 | Low | 51 Ų | 51 | 50.3 Ų | 50.3 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | trans | -61.5 | 161.2 | 174.9 | 85 | 0 | 0 | 0 | 0 | 111.4 | H1477 D1478 F1479 | S1475-H1477 PolarHBondContact O-N 3.48Å; S1475-H1477 PolarHBondContact OG-N 3.45Å; S1475-D1478 WeakPolarHBondContact CB-OD2 3.08Å; S1475-D1478 CarbonylContact O-C 3.52Å; S1475-D1478 PolarHBondContact O-N 3.4Å; S1475-D1478 PolarHBondContact OG-N 2.99Å; S1475-D1478 PolarHBondContact OG-OD2 2.9Å; S1475-F1479 PolarHBondContact O-N 3.06Å | ||
| 1476 | V | 49.9 | Very low | 66.8 | Low | 101 Ų | 101 | 47 Ų | 47 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -31.3 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | C1429 F1479 | C1429-V1476 HydrophobicContact CB-CG2 4.46Å; V1476-F1479 WeakPolarHBondContact O-CB 3.28Å |
| 1477 | H | 45.2 | Very low | 67.2 | Low | 107 Ų | 107 | 44 Ų | 44 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -43.4 | 173.9 | -76.9 | -77.2 | 0 | 0 | 0 | 112.4 | Y1410 S1475 F1479 | Y1410-H1477 HydrophobicContact CD1-CB 3.66Å; Y1410-H1477 AromaticContact CD1-CG 3.8Å; Y1410-H1477 AromaticContact CD1-ND1 3.45Å; Y1410-H1477 WeakPolarHBondContact CD1-ND1 3.15Å; Y1410-H1477 HydrophobicContact CD2-CB 3.74Å; Y1410-H1477 HydrophobicContact CE1-CB 3.86Å; Y1410-H1477 HydrophobicContact CE2-CB 3.96Å; Y1410-H1477 HydrophobicContact CG-CB 3.57Å; Y1410-H1477 AromaticContact CG-CG 3.68Å; Y1410-H1477 AromaticContact CG-ND1 3.67Å; S1475-H1477 PolarHBondContact O-N 3.48Å; S1475-H1477 PolarHBondContact OG-N 3.45Å; H1477-F1479 PolarHBondContact O-N 3.35Å |
| 1478 | D | 58.3 | Low | 67.4 | Low | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -10.9 | 179.9 | -63.6 | -62 | 0 | 0 | 0 | 113.8 | P1123 Y1410 A1474 S1475 H1480 G1481 A1482 | P1123-D1478 WeakPolarHBondContact CD-OD1 3.18Å; P1123-D1478 WeakPolarHBondContact CG-OD2 3.38Å; Y1410-D1478 WeakPolarHBondContact CE2-OD1 3.3Å; Y1410-D1478 PolarHBondContact OH-OD1 3.48Å; A1474-D1478 HydrophobicContact CB-CB 4.31Å; S1475-D1478 WeakPolarHBondContact CB-OD2 3.08Å; S1475-D1478 CarbonylContact O-C 3.52Å; S1475-D1478 PolarHBondContact O-N 3.4Å; S1475-D1478 PolarHBondContact OG-N 2.99Å; S1475-D1478 PolarHBondContact OG-OD2 2.9Å; D1478-H1480 PolarHBondContact O-N 2.79Å; D1478-G1481 CarbonylContact O-C 3.42Å; D1478-G1481 WeakPolarHBondContact O-CA 3.29Å; D1478-G1481 PolarHBondContact O-N 2.8Å; D1478-A1482 WeakPolarHBondContact O-CB 3.26Å; D1478-A1482 PolarHBondContact O-N 3.47Å |
| 1479 | F | 62.1 | Low | 67.5 | Low | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -45.4 | -39.9 | 178 | -174.1 | -113 | 0 | 0 | 0 | 113.1 | C1429 L1432 F1433 S1475 V1476 H1477 I1483 | C1429-F1479 HydrophobicContact CB-CB 4.44Å; C1429-F1479 HydrophobicContact CB-CD1 4.24Å; C1429-F1479 HydrophobicContact CB-CD2 3.64Å; C1429-F1479 HydrophobicContact CB-CE1 4.34Å; C1429-F1479 HydrophobicContact CB-CE2 3.77Å; C1429-F1479 HydrophobicContact CB-CG 3.88Å; C1429-F1479 HydrophobicContact CB-CZ 4.1Å; C1429-F1479 VanDerWaalsContact O-CE2 3.27Å; C1429-F1479 WeakPolarHBondContact O-CE2 3.31Å; L1432-F1479 HydrophobicContact CB-CE2 4.15Å; L1432-F1479 HydrophobicContact CB-CZ 3.95Å; L1432-F1479 HydrophobicContact CD2-CE2 4.2Å; L1432-F1479 HydrophobicContact CD2-CZ 3.73Å; L1432-F1479 HydrophobicContact CG-CZ 4.46Å; F1433-F1479 AromaticContact CD2-CD2 3.87Å; F1433-F1479 HydrophobicContact CD2-CD2 3.87Å; F1433-F1479 AromaticContact CD2-CE2 3.77Å; F1433-F1479 HydrophobicContact CD2-CE2 3.77Å; F1433-F1479 AromaticContact CE2-CD2 3.41Å; F1433-F1479 HydrophobicContact CE2-CD2 3.41Å; F1433-F1479 VanDerWaalsContact CE2-CD2 3.41Å; F1433-F1479 AromaticContact CE2-CE2 3.59Å; F1433-F1479 HydrophobicContact CE2-CE2 3.59Å; F1433-F1479 HydrophobicContact CE2-CG 4.45Å; F1433-F1479 HydrophobicContact CZ-CD2 4.3Å; F1433-F1479 HydrophobicContact CZ-CE2 4.3Å; S1475-F1479 PolarHBondContact O-N 3.06Å; V1476-F1479 WeakPolarHBondContact O-CB 3.28Å; H1477-F1479 PolarHBondContact O-N 3.35Å; F1479-I1483 HydrophobicContact CD1-CD1 3.9Å; F1479-I1483 HydrophobicContact CE1-CD1 3.68Å; F1479-I1483 HydrophobicContact CG-CD1 4.48Å; F1479-I1483 HydrophobicContact CZ-CD1 4.09Å; F1479-I1483 WeakPolarHBondContact O-CB 3.35Å; F1479-I1483 VanDerWaalsContact O-CG1 3.22Å; F1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; F1479-I1483 PolarHBondContact O-N 3.36Å |
| 1480 | H | 67.2 | Low | 67.8 | Low | 94 Ų | 94 | 47.9 Ų | 47.9 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74 | -31.6 | 176.5 | -101.7 | 10.1 | 0 | 0 | 0 | 114.6 | D1478 S1484 K1525 | D1478-H1480 PolarHBondContact O-N 2.79Å; H1480-S1484 PolarHBondContact O-N 3.42Å; H1480-S1484 PolarHBondContact O-OG 2.81Å; H1480-K1525 PolarHBondContact CD2-NZ 2.9Å; H1480-K1525 PolarHBondContact CE1-NZ 3.12Å; H1480-K1525 VanDerWaalsContact CE1-NZ 3.35Å; H1480-K1525 PolarHBondContact ND1-NZ 3.22Å; H1480-K1525 PolarHBondContact NE2-NZ 3.06Å |
| 1481 | G | 67.7 | Low | 68.7 | Low | 26 Ų | 26 | 42 Ų | 42 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.1 | -41.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1478 S1484 S1485 | D1478-G1481 CarbonylContact O-C 3.42Å; D1478-G1481 WeakPolarHBondContact O-CA 3.29Å; D1478-G1481 PolarHBondContact O-N 2.8Å; G1481-S1484 CarbonylContact O-C 3.54Å; G1481-S1484 WeakPolarHBondContact O-CA 3.45Å; G1481-S1484 WeakPolarHBondContact O-CB 3.49Å; G1481-S1484 PolarHBondContact O-N 3.3Å; G1481-S1484 VanDerWaalsContact O-N 3.11Å; G1481-S1485 PolarHBondContact O-N 3.43Å |
| 1482 | A | 69.4 | Low | 69 | Low | 11 Ų | 11 | 46.6 Ų | 46.6 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1433 A1474 D1478 S1484 S1485 V1486 | F1433-A1482 HydrophobicContact CE2-CB 3.82Å; F1433-A1482 HydrophobicContact CZ-CB 3.8Å; A1474-A1482 HydrophobicContact CB-CB 3.53Å; D1478-A1482 WeakPolarHBondContact O-CB 3.26Å; D1478-A1482 PolarHBondContact O-N 3.47Å; A1482-S1484 PolarHBondContact O-N 2.95Å; A1482-S1485 PolarHBondContact O-N 3.01Å; A1482-S1485 VanDerWaalsContact O-N 3.16Å; A1482-V1486 WeakPolarHBondContact O-CB 3.38Å; A1482-V1486 VanDerWaalsContact O-CG2 3.3Å; A1482-V1486 WeakPolarHBondContact O-CG2 3.31Å; A1482-V1486 PolarHBondContact O-N 3.41Å |
| 1483 | I | 79.4 | Confident | 69.6 | Low | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.9 | -41.8 | 172.2 | -75.9 | 170.5 | 0 | 0 | 0 | 111 | F1433 F1479 F1487 L1521 I1524 K1525 W1529 | F1433-I1483 HydrophobicContact CE1-CG1 4.44Å; F1433-I1483 HydrophobicContact CZ-CG1 3.83Å; F1479-I1483 HydrophobicContact CD1-CD1 3.9Å; F1479-I1483 HydrophobicContact CE1-CD1 3.68Å; F1479-I1483 HydrophobicContact CG-CD1 4.48Å; F1479-I1483 HydrophobicContact CZ-CD1 4.09Å; F1479-I1483 WeakPolarHBondContact O-CB 3.35Å; F1479-I1483 VanDerWaalsContact O-CG1 3.22Å; F1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; F1479-I1483 PolarHBondContact O-N 3.36Å; I1483-F1487 WeakPolarHBondContact O-CB 3.45Å; I1483-F1487 PolarHBondContact O-N 3.4Å; I1483-L1521 HydrophobicContact CB-CD2 4.25Å; I1483-L1521 HydrophobicContact CG1-CD2 3.82Å; I1483-L1521 HydrophobicContact CG2-CB 4.31Å; I1483-L1521 HydrophobicContact CG2-CD2 4.02Å; I1483-I1524 HydrophobicContact CD1-CD1 4.42Å; I1483-I1524 HydrophobicContact CD1-CG2 3.94Å; I1483-K1525 HydrophobicContact CG2-CG 3.69Å; I1483-W1529 HydrophobicContact CG2-CH2 3.59Å; I1483-W1529 HydrophobicContact CG2-CZ2 3.97Å; I1483-W1529 HydrophobicContact CG2-CZ3 4.33Å |
| 1484 | S | 76.6 | Confident | 70.7 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.6 | -43.5 | 178.7 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | H1480 G1481 A1482 F1487 D1488 | H1480-S1484 PolarHBondContact O-N 3.42Å; H1480-S1484 PolarHBondContact O-OG 2.81Å; G1481-S1484 CarbonylContact O-C 3.54Å; G1481-S1484 WeakPolarHBondContact O-CA 3.45Å; G1481-S1484 WeakPolarHBondContact O-CB 3.49Å; G1481-S1484 PolarHBondContact O-N 3.3Å; G1481-S1484 VanDerWaalsContact O-N 3.11Å; A1482-S1484 PolarHBondContact O-N 2.95Å; S1484-F1487 PolarHBondContact O-N 2.68Å; S1484-D1488 PolarHBondContact O-N 2.94Å |
| 1485 | S | 73.9 | Confident | 71.9 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 36% | 0.357 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | G1481 A1482 K1489 | G1481-S1485 PolarHBondContact O-N 3.43Å; A1482-S1485 PolarHBondContact O-N 3.01Å; A1482-S1485 VanDerWaalsContact O-N 3.16Å; S1485-K1489 VanDerWaalsContact O-CB 3.27Å; S1485-K1489 WeakPolarHBondContact O-CB 3.29Å; S1485-K1489 WeakPolarHBondContact O-CD 3.46Å; S1485-K1489 WeakPolarHBondContact O-CG 3.12Å; S1485-K1489 PolarHBondContact O-N 3.07Å; S1485-K1489 WeakPolarHBondContact OG-CE 3.43Å; S1485-K1489 PolarHBondContact OG-NZ 3.44Å |
| 1486 | V | 80.9 | Confident | 73.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -47.7 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | F1433 V1468 S1471 A1482 K1489 L1490 V1517 L1521 | F1433-V1486 HydrophobicContact CE1-CG2 4.11Å; V1468-V1486 HydrophobicContact CG2-CG1 4.11Å; S1471-V1486 WeakPolarHBondContact OG-CG2 3.21Å; A1482-V1486 WeakPolarHBondContact O-CB 3.38Å; A1482-V1486 VanDerWaalsContact O-CG2 3.3Å; A1482-V1486 WeakPolarHBondContact O-CG2 3.31Å; A1482-V1486 PolarHBondContact O-N 3.41Å; V1486-K1489 PolarHBondContact O-N 3.34Å; V1486-L1490 HydrophobicContact CG1-CD1 3.64Å; V1486-L1490 HydrophobicContact CG1-CG 4.03Å; V1486-L1490 VanDerWaalsContact O-CB 3.31Å; V1486-L1490 WeakPolarHBondContact O-CB 3.47Å; V1486-L1490 WeakPolarHBondContact O-CG 3.3Å; V1486-L1490 PolarHBondContact O-N 3.49Å; V1486-V1517 HydrophobicContact CG1-CG1 4.28Å; V1486-L1521 HydrophobicContact CB-CD1 4.38Å; V1486-L1521 HydrophobicContact CG1-CD1 3.85Å |
| 1487 | F | 85.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | -178.8 | -155.3 | -82.1 | 0 | 0 | 0 | 112.3 | I1483 S1484 L1490 L1491 T1518 L1521 I1522 W1529 A1530 Q1533 V1534 | I1483-F1487 WeakPolarHBondContact O-CB 3.45Å; I1483-F1487 PolarHBondContact O-N 3.4Å; S1484-F1487 PolarHBondContact O-N 2.68Å; F1487-L1490 PolarHBondContact O-N 2.95Å; F1487-L1491 HydrophobicContact CD1-CD1 3.74Å; F1487-L1491 HydrophobicContact CD1-CG 4.12Å; F1487-L1491 HydrophobicContact CE1-CD1 3.77Å; F1487-L1491 HydrophobicContact CE1-CG 4.1Å; F1487-L1491 WeakPolarHBondContact O-CB 3.21Å; F1487-L1491 WeakPolarHBondContact O-CG 3.49Å; F1487-L1491 PolarHBondContact O-N 3.09Å; F1487-T1518 HydrophobicContact CD2-CG2 3.76Å; F1487-T1518 HydrophobicContact CE2-CG2 3.35Å; F1487-T1518 HydrophobicContact CZ-CG2 3.84Å; F1487-L1521 HydrophobicContact CB-CD1 4.48Å; F1487-L1521 HydrophobicContact CD2-CB 4.43Å; F1487-L1521 HydrophobicContact CD2-CD1 4.03Å; F1487-I1522 HydrophobicContact CE2-CD1 4.39Å; F1487-I1522 HydrophobicContact CE2-CG1 4.32Å; F1487-W1529 HydrophobicContact CB-CH2 3.68Å; F1487-W1529 HydrophobicContact CB-CZ3 4.23Å; F1487-W1529 AromaticContact CD2-CH2 3.86Å; F1487-W1529 HydrophobicContact CD2-CH2 3.86Å; F1487-W1529 AromaticContact CD2-CZ3 3.53Å; F1487-W1529 HydrophobicContact CD2-CZ3 3.53Å; F1487-W1529 AromaticContact CE2-CZ3 3.95Å; F1487-W1529 HydrophobicContact CE2-CZ3 3.95Å; F1487-W1529 AromaticContact CG-CH2 3.81Å; F1487-W1529 HydrophobicContact CG-CH2 3.81Å; F1487-W1529 AromaticContact CG-CZ3 3.86Å; F1487-W1529 HydrophobicContact CG-CZ3 3.86Å; F1487-A1530 HydrophobicContact CE1-CB 4.19Å; F1487-A1530 HydrophobicContact CE2-CB 3.92Å; F1487-A1530 HydrophobicContact CZ-CB 3.47Å; F1487-A1530 VanDerWaalsContact CZ-CB 3.47Å; F1487-Q1533 HydrophobicContact CD1-CB 4.03Å; F1487-Q1533 HydrophobicContact CE1-CB 4.27Å; F1487-V1534 HydrophobicContact CE1-CG2 4.28Å |
| 1488 | D | 78.5 | Confident | 75.8 | Confident | 53 Ų | 53 | 32 Ų | 32 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.8 | -80 | -11.5 | 0 | 0 | 0 | 111.6 | S1484 L1491 L1492 K1536 | S1484-D1488 PolarHBondContact O-N 2.94Å; D1488-L1491 PolarHBondContact O-N 3.37Å; D1488-L1492 WeakPolarHBondContact O-CB 3.31Å; D1488-L1492 PolarHBondContact O-N 3.19Å; D1488-K1536 IonicContact OD1-NZ 2.68Å; D1488-K1536 PolarHBondContact OD1-NZ 3.29Å; D1488-K1536 IonicContact OD2-NZ 3.92Å; D1488-K1536 PolarHBondContact OD2-NZ 3.2Å |
| 1489 | K | 80 | Confident | 76.5 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.6 | -75.8 | 167.3 | -175.3 | 165.2 | 0 | 112 | A1467 S1485 V1486 L1491 L1492 I1493 | A1467-K1489 HydrophobicContact CB-CB 4.1Å; A1467-K1489 HydrophobicContact CB-CD 3.9Å; S1485-K1489 VanDerWaalsContact O-CB 3.27Å; S1485-K1489 WeakPolarHBondContact O-CB 3.29Å; S1485-K1489 WeakPolarHBondContact O-CD 3.46Å; S1485-K1489 WeakPolarHBondContact O-CG 3.12Å; S1485-K1489 PolarHBondContact O-N 3.07Å; S1485-K1489 WeakPolarHBondContact OG-CE 3.43Å; S1485-K1489 PolarHBondContact OG-NZ 3.44Å; V1486-K1489 PolarHBondContact O-N 3.34Å; K1489-L1491 VanDerWaalsContact C-N 3.35Å; K1489-L1491 PolarHBondContact O-N 3.32Å; K1489-L1492 PolarHBondContact O-N 3.42Å; K1489-I1493 WeakPolarHBondContact O-CD1 3.17Å; K1489-I1493 VanDerWaalsContact O-CG1 3.24Å; K1489-I1493 WeakPolarHBondContact O-CG1 3.47Å; K1489-I1493 PolarHBondContact O-N 3.31Å |
| 1490 | L | 83.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 178.9 | -73.8 | 177.6 | 0 | 0 | 0 | 111.5 | M1464 V1486 F1487 I1493 L1494 F1514 V1517 T1518 | M1464-L1490 HydrophobicContact CB-CD2 3.74Å; M1464-L1490 HydrophobicContact CE-CD2 4.33Å; M1464-L1490 HydrophobicContact CG-CD2 3.56Å; M1464-L1490 HydrophobicContact SD-CD2 4.01Å; V1486-L1490 HydrophobicContact CG1-CD1 3.64Å; V1486-L1490 HydrophobicContact CG1-CG 4.03Å; V1486-L1490 VanDerWaalsContact O-CB 3.31Å; V1486-L1490 WeakPolarHBondContact O-CB 3.47Å; V1486-L1490 WeakPolarHBondContact O-CG 3.3Å; V1486-L1490 PolarHBondContact O-N 3.49Å; F1487-L1490 PolarHBondContact O-N 2.95Å; L1490-I1493 PolarHBondContact O-N 3.45Å; L1490-L1494 WeakPolarHBondContact O-CB 3.38Å; L1490-L1494 PolarHBondContact O-N 3.11Å; L1490-F1514 HydrophobicContact CB-CD2 3.88Å; L1490-F1514 HydrophobicContact CB-CE2 3.89Å; L1490-V1517 HydrophobicContact CD1-CB 3.83Å; L1490-V1517 HydrophobicContact CD1-CG1 3.52Å; L1490-T1518 HydrophobicContact CD1-CG2 4.44Å |
| 1491 | L | 84.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 172.2 | -79 | 173.4 | 0 | 0 | 0 | 111.1 | F1487 D1488 K1489 I1493 L1494 F1495 F1514 V1534 M1537 L1555 | F1487-L1491 HydrophobicContact CD1-CD1 3.74Å; F1487-L1491 HydrophobicContact CD1-CG 4.12Å; F1487-L1491 HydrophobicContact CE1-CD1 3.77Å; F1487-L1491 HydrophobicContact CE1-CG 4.1Å; F1487-L1491 WeakPolarHBondContact O-CB 3.21Å; F1487-L1491 WeakPolarHBondContact O-CG 3.49Å; F1487-L1491 PolarHBondContact O-N 3.09Å; D1488-L1491 PolarHBondContact O-N 3.37Å; K1489-L1491 VanDerWaalsContact C-N 3.35Å; K1489-L1491 PolarHBondContact O-N 3.32Å; L1491-I1493 VanDerWaalsContact C-N 3.26Å; L1491-I1493 PolarHBondContact O-N 2.93Å; L1491-L1494 WeakPolarHBondContact O-CB 3.37Å; L1491-L1494 PolarHBondContact O-N 3.41Å; L1491-L1494 VanDerWaalsContact O-N 3.14Å; L1491-F1495 WeakPolarHBondContact O-CD2 3.37Å; L1491-F1495 PolarHBondContact O-N 3.15Å; L1491-F1514 HydrophobicContact CD2-CE2 3.93Å; L1491-F1514 HydrophobicContact CD2-CZ 3.59Å; L1491-F1514 HydrophobicContact CG-CE2 4.18Å; L1491-F1514 HydrophobicContact CG-CZ 4.19Å; L1491-V1534 HydrophobicContact CD1-CG2 3.87Å; L1491-V1534 HydrophobicContact CD2-CG2 3.83Å; L1491-V1534 HydrophobicContact CG-CG2 4.49Å; L1491-M1537 HydrophobicContact CB-SD 3.82Å; L1491-M1537 HydrophobicContact CD1-CB 4.32Å; L1491-L1555 HydrophobicContact CD2-CD1 4.05Å; L1491-L1555 HydrophobicContact CD2-CD2 4Å |
| 1492 | L | 78.1 | Confident | 76.4 | Confident | 101 Ų | 101 | 40.4 Ų | 40.4 | 53% | 0.529 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 179.2 | -152.7 | 81.6 | 0 | 0 | 0 | 111.9 | D1488 K1489 N1496 | D1488-L1492 WeakPolarHBondContact O-CB 3.31Å; D1488-L1492 PolarHBondContact O-N 3.19Å; K1489-L1492 PolarHBondContact O-N 3.42Å; L1492-N1496 WeakPolarHBondContact O-CB 3.41Å; L1492-N1496 PolarHBondContact O-N 3.04Å; L1492-N1496 VanDerWaalsContact O-N 3.15Å; L1492-N1496 PolarHBondContact O-ND2 3.23Å |
| 1493 | I | 80.5 | Confident | 76.3 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.5 | -44.4 | 175.2 | -64.1 | 160.4 | 0 | 0 | 0 | 110.9 | A1460 A1463 M1464 K1489 L1490 L1491 N1496 S1497 L1510 | A1460-I1493 HydrophobicContact CB-CG2 3.71Å; A1463-I1493 HydrophobicContact CB-CD1 3.77Å; A1463-I1493 HydrophobicContact CB-CG1 4.22Å; M1464-I1493 HydrophobicContact CE-CB 4.32Å; M1464-I1493 HydrophobicContact CE-CG2 3.93Å; M1464-I1493 HydrophobicContact CG-CB 4.42Å; M1464-I1493 HydrophobicContact CG-CD1 3.96Å; M1464-I1493 HydrophobicContact CG-CG2 3.93Å; K1489-I1493 WeakPolarHBondContact O-CD1 3.17Å; K1489-I1493 VanDerWaalsContact O-CG1 3.24Å; K1489-I1493 WeakPolarHBondContact O-CG1 3.47Å; K1489-I1493 PolarHBondContact O-N 3.31Å; L1490-I1493 PolarHBondContact O-N 3.45Å; L1491-I1493 VanDerWaalsContact C-N 3.26Å; L1491-I1493 PolarHBondContact O-N 2.93Å; I1493-N1496 PolarHBondContact O-N 3.13Å; I1493-S1497 WeakPolarHBondContact O-CB 3.49Å; I1493-S1497 PolarHBondContact O-N 3.16Å; I1493-S1497 PolarHBondContact O-OG 3.13Å; I1493-S1497 VanDerWaalsContact O-OG 3.14Å; I1493-L1510 HydrophobicContact CG2-CD2 4.45Å |
| 1494 | L | 83.3 | Confident | 76 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -55 | 176.3 | -173.8 | 80.2 | 0 | 0 | 0 | 110.8 | L1490 L1491 N1496 S1497 F1498 F1514 A1551 F1554 L1555 | L1490-L1494 WeakPolarHBondContact O-CB 3.38Å; L1490-L1494 PolarHBondContact O-N 3.11Å; L1491-L1494 WeakPolarHBondContact O-CB 3.37Å; L1491-L1494 PolarHBondContact O-N 3.41Å; L1491-L1494 VanDerWaalsContact O-N 3.14Å; L1494-N1496 VanDerWaalsContact C-N 3.34Å; L1494-N1496 PolarHBondContact O-N 3.08Å; L1494-S1497 PolarHBondContact O-N 3.23Å; L1494-F1498 HydrophobicContact CD1-CB 3.99Å; L1494-F1498 HydrophobicContact CD1-CD2 4.08Å; L1494-F1498 HydrophobicContact CD1-CG 4.07Å; L1494-F1498 HydrophobicContact CG-CB 4.24Å; L1494-F1498 WeakPolarHBondContact O-CB 3.03Å; L1494-F1498 PolarHBondContact O-N 2.91Å; L1494-F1514 HydrophobicContact CB-CD2 4.15Å; L1494-F1514 HydrophobicContact CB-CE2 4.31Å; L1494-F1514 HydrophobicContact CD1-CB 4.31Å; L1494-F1514 HydrophobicContact CD1-CD2 4.37Å; L1494-F1514 HydrophobicContact CD1-CG 4.17Å; L1494-F1514 HydrophobicContact CD2-CD1 4.36Å; L1494-F1514 HydrophobicContact CD2-CD2 4.31Å; L1494-F1514 HydrophobicContact CD2-CE1 4.2Å; L1494-F1514 HydrophobicContact CD2-CE2 4.16Å; L1494-F1514 HydrophobicContact CD2-CG 4.43Å; L1494-F1514 HydrophobicContact CD2-CZ 4.1Å; L1494-A1551 HydrophobicContact CG-CB 4.37Å; L1494-F1554 HydrophobicContact CD1-CD1 4.32Å; L1494-F1554 HydrophobicContact CD1-CE1 4.14Å; L1494-F1554 HydrophobicContact CD2-CD1 3.95Å; L1494-F1554 HydrophobicContact CD2-CE1 4.13Å; L1494-L1555 HydrophobicContact CD2-CD1 4.26Å; L1494-L1555 HydrophobicContact CD2-CD2 4.03Å; L1494-L1555 HydrophobicContact CD2-CG 4.1Å |
| 1495 | F | 78.5 | Confident | 75.8 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 179.6 | -88.4 | -90.1 | 0 | 0 | 0 | 112.7 | L1491 M1537 L1538 L1547 N1548 A1551 I1552 L1555 | L1491-F1495 WeakPolarHBondContact O-CD2 3.37Å; L1491-F1495 PolarHBondContact O-N 3.15Å; F1495-M1537 HydrophobicContact CD1-CE 4.26Å; F1495-M1537 HydrophobicContact CD2-CE 3.48Å; F1495-M1537 VanDerWaalsContact CD2-CE 3.48Å; F1495-M1537 HydrophobicContact CD2-SD 3.84Å; F1495-M1537 HydrophobicContact CE1-CE 4.22Å; F1495-M1537 HydrophobicContact CE2-CE 3.44Å; F1495-M1537 VanDerWaalsContact CE2-CE 3.44Å; F1495-M1537 HydrophobicContact CE2-SD 4.04Å; F1495-M1537 HydrophobicContact CG-CE 3.91Å; F1495-M1537 HydrophobicContact CZ-CE 3.83Å; F1495-L1538 HydrophobicContact CE1-CD2 4.12Å; F1495-L1538 HydrophobicContact CZ-CD2 3.77Å; F1495-L1538 HydrophobicContact CZ-CG 4.49Å; F1495-L1547 HydrophobicContact CE1-CD2 4.29Å; F1495-N1548 HydrophobicContact CD1-CB 4.44Å; F1495-N1548 WeakPolarHBondContact O-CB 3.37Å; F1495-N1548 PolarHBondContact O-ND2 3.09Å; F1495-A1551 HydrophobicContact CD1-CB 4.13Å; F1495-A1551 HydrophobicContact CE1-CB 4.38Å; F1495-A1551 HydrophobicContact CG-CB 4.25Å; F1495-I1552 HydrophobicContact CE1-CD1 4.27Å; F1495-I1552 HydrophobicContact CE1-CG1 3.59Å; F1495-I1552 HydrophobicContact CZ-CG1 4Å; F1495-L1555 HydrophobicContact CD2-CD1 4.49Å; F1495-L1555 HydrophobicContact CE2-CD1 3.48Å; F1495-L1555 VanDerWaalsContact CE2-CD1 3.48Å; F1495-L1555 HydrophobicContact CZ-CD1 3.77Å |
| 1496 | N | 75 | Confident | 75.7 | Confident | 115 Ų | 115 | 47 Ų | 47 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -75.5 | -24.5 | -179.1 | -75.1 | -56.2 | 0 | 0 | 0 | 114.5 | L1492 I1493 L1494 | L1492-N1496 WeakPolarHBondContact O-CB 3.41Å; L1492-N1496 PolarHBondContact O-N 3.04Å; L1492-N1496 VanDerWaalsContact O-N 3.15Å; L1492-N1496 PolarHBondContact O-ND2 3.23Å; I1493-N1496 PolarHBondContact O-N 3.13Å; L1494-N1496 VanDerWaalsContact C-N 3.34Å; L1494-N1496 PolarHBondContact O-N 3.08Å |
| 1497 | S | 74.8 | Confident | 75.4 | Confident | 36 Ų | 36 | 47.2 Ų | 47.2 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -123.7 | -16.3 | -165.6 | -50.6 | 0 | 0 | 0 | 0 | 115.9 | A1460 I1493 L1494 S1499 | A1460-S1497 VanDerWaalsContact CB-OG 3.31Å; A1460-S1497 WeakPolarHBondContact CB-OG 3.39Å; I1493-S1497 WeakPolarHBondContact O-CB 3.49Å; I1493-S1497 PolarHBondContact O-N 3.16Å; I1493-S1497 PolarHBondContact O-OG 3.13Å; I1493-S1497 VanDerWaalsContact O-OG 3.14Å; L1494-S1497 PolarHBondContact O-N 3.23Å; S1497-S1499 PolarHBondContact O-N 2.92Å |
| 1498 | F | 74.7 | Confident | 75.1 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | trans | -79.1 | 83.9 | -176.8 | -175.2 | -102.8 | 0 | 0 | 0 | 111.6 | L1494 P1500 S1507 A1511 N1548 H1550 A1551 F1554 | L1494-F1498 HydrophobicContact CD1-CB 3.99Å; L1494-F1498 HydrophobicContact CD1-CD2 4.08Å; L1494-F1498 HydrophobicContact CD1-CG 4.07Å; L1494-F1498 HydrophobicContact CG-CB 4.24Å; L1494-F1498 WeakPolarHBondContact O-CB 3.03Å; L1494-F1498 PolarHBondContact O-N 2.91Å; F1498-P1500 HydrophobicContact CE1-CG 4Å; F1498-P1500 HydrophobicContact CZ-CG 4.16Å; F1498-S1507 WeakPolarHBondContact CD2-O 3.41Å; F1498-S1507 VanDerWaalsContact CE2-O 3.25Å; F1498-S1507 WeakPolarHBondContact CE2-O 3.28Å; F1498-A1511 HydrophobicContact CD2-CB 4.34Å; F1498-A1511 HydrophobicContact CE2-CB 3.65Å; F1498-A1511 HydrophobicContact CZ-CB 4.4Å; F1498-N1548 PolarHBondContact O-ND2 2.9Å; F1498-N1548 PolarHBondContact O-OD1 2.7Å; F1498-H1550 HydrophobicContact CD1-CB 4.06Å; F1498-H1550 HydrophobicContact CE1-CB 4.08Å; F1498-H1550 WeakPolarHBondContact CE1-O 3.43Å; F1498-A1551 HydrophobicContact CD1-CB 4.31Å; F1498-F1554 HydrophobicContact CE1-CB 3.82Å; F1498-F1554 HydrophobicContact CE1-CD2 4.37Å; F1498-F1554 HydrophobicContact CE1-CG 4.16Å; F1498-F1554 HydrophobicContact CE2-CD2 4.5Å; F1498-F1554 HydrophobicContact CZ-CB 4.21Å; F1498-F1554 AromaticContact CZ-CD2 3.89Å; F1498-F1554 HydrophobicContact CZ-CD2 3.89Å; F1498-F1554 HydrophobicContact CZ-CG 4.11Å | ||
| 1499 | S | 72 | Confident | 75.1 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | trans | -120.6 | 93.5 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | S1497 A1501 H1502 S1507 | S1497-S1499 PolarHBondContact O-N 2.92Å; S1499-A1501 PolarHBondContact O-N 3.08Å; S1499-H1502 PolarHBondContact O-N 2.98Å; S1499-H1502 VanDerWaalsContact O-N 3.14Å; S1499-S1507 PolarHBondContact O-OG 3.47Å | ||
| 1500 | P | 67.4 | Low | 75 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -25.9 | 177.8 | -28.5 | 36.6 | 0 | 0 | 0 | 114.2 | F1498 H1502 V1504 H1550 | F1498-P1500 HydrophobicContact CE1-CG 4Å; F1498-P1500 HydrophobicContact CZ-CG 4.16Å; P1500-H1502 VanDerWaalsContact C-N 3.34Å; P1500-H1502 PolarHBondContact O-N 2.79Å; P1500-V1504 VanDerWaalsContact O-CG2 3.32Å; P1500-V1504 WeakPolarHBondContact O-CG2 3.2Å; P1500-H1550 HydrophobicContact CG-CB 4.17Å |
| 1501 | A | 66.3 | Low | 75 | Confident | 81 Ų | 81 | 46.5 Ų | 46.5 | 67% | 0.669 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1499 | S1499-A1501 PolarHBondContact O-N 3.08Š|
| 1502 | H | 62.2 | Low | 75 | Confident | 168 Ų | 168 | 50.2 Ų | 50.2 | 78% | 0.778 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -38.5 | -176.2 | -70.2 | -44.7 | 0 | 0 | 0 | 114 | S1499 P1500 | S1499-H1502 PolarHBondContact O-N 2.98Å; S1499-H1502 VanDerWaalsContact O-N 3.14Å; P1500-H1502 VanDerWaalsContact C-N 3.34Å; P1500-H1502 PolarHBondContact O-N 2.79Å |
| 1503 | N | 67.4 | Low | 75.2 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | trans | -156.5 | 105.4 | 175.4 | -172.1 | -42.1 | 0 | 0 | 0 | 108.8 | V1455 D1505 L1506 S1507 | V1455-N1503 HydrophobicContact CG1-CB 4.42Å; N1503-D1505 PolarHBondContact OD1-N 2.92Å; N1503-L1506 HydrophobicContact CB-CB 3.84Å; N1503-L1506 HydrophobicContact CB-CD2 4.3Å; N1503-L1506 VanDerWaalsContact CG-CB 3.47Å; N1503-L1506 VanDerWaalsContact OD1-CB 3.32Å; N1503-L1506 WeakPolarHBondContact OD1-CB 3.28Å; N1503-L1506 PolarHBondContact OD1-N 2.98Å; N1503-S1507 WeakPolarHBondContact O-CB 3.03Å; N1503-S1507 PolarHBondContact O-N 2.75Å; N1503-S1507 PolarHBondContact O-OG 2.98Å | ||
| 1504 | V | 73.4 | Confident | 75.5 | Confident | 85 Ų | 85 | 44.3 Ų | 44.3 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | -177.3 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | P1500 L1506 S1507 N1508 | P1500-V1504 VanDerWaalsContact O-CG2 3.32Å; P1500-V1504 WeakPolarHBondContact O-CG2 3.2Å; V1504-L1506 PolarHBondContact O-N 2.89Å; V1504-S1507 PolarHBondContact O-N 2.8Å; V1504-N1508 VanDerWaalsContact O-CB 3.26Å; V1504-N1508 WeakPolarHBondContact O-CB 3.28Å; V1504-N1508 PolarHBondContact O-N 3.33Å; V1504-N1508 PolarHBondContact O-ND2 3.37Å |
| 1505 | D | 71.3 | Confident | 75.7 | Confident | 94 Ų | 94 | 46.9 Ų | 46.9 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | -179.3 | -71.7 | -22.6 | 0 | 0 | 0 | 112.4 | Y1447 N1503 M1509 | Y1447-D1505 WeakPolarHBondContact OH-CB 3.46Å; N1503-D1505 PolarHBondContact OD1-N 2.92Å; D1505-M1509 WeakPolarHBondContact O-CB 3.39Å; D1505-M1509 PolarHBondContact O-N 2.82Å |
| 1506 | L | 71.2 | Confident | 76.1 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 177.5 | -177.6 | 58.3 | 0 | 0 | 0 | 112.1 | V1455 L1461 N1503 V1504 M1509 L1510 | V1455-L1506 HydrophobicContact CB-CD2 4.08Å; V1455-L1506 HydrophobicContact CG1-CD2 3.44Å; V1455-L1506 VanDerWaalsContact CG1-CD2 3.44Å; L1461-L1506 HydrophobicContact CD1-CD1 3.6Å; L1461-L1506 HydrophobicContact CD2-CD1 4.29Å; L1461-L1506 HydrophobicContact CG-CD1 3.92Å; N1503-L1506 HydrophobicContact CB-CB 3.84Å; N1503-L1506 HydrophobicContact CB-CD2 4.3Å; N1503-L1506 VanDerWaalsContact CG-CB 3.47Å; N1503-L1506 VanDerWaalsContact OD1-CB 3.32Å; N1503-L1506 WeakPolarHBondContact OD1-CB 3.28Å; N1503-L1506 PolarHBondContact OD1-N 2.98Å; V1504-L1506 PolarHBondContact O-N 2.89Å; L1506-M1509 PolarHBondContact O-N 3.26Å; L1506-L1510 WeakPolarHBondContact O-CB 3.23Å; L1506-L1510 WeakPolarHBondContact O-CG 3.27Å; L1506-L1510 PolarHBondContact O-N 3.4Å |
| 1507 | S | 74.9 | Confident | 76.5 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -45 | 174.4 | -58.6 | 0 | 0 | 0 | 0 | 111 | F1498 S1499 N1503 V1504 M1509 L1510 A1511 | F1498-S1507 WeakPolarHBondContact CD2-O 3.41Å; F1498-S1507 VanDerWaalsContact CE2-O 3.25Å; F1498-S1507 WeakPolarHBondContact CE2-O 3.28Å; S1499-S1507 PolarHBondContact O-OG 3.47Å; N1503-S1507 WeakPolarHBondContact O-CB 3.03Å; N1503-S1507 PolarHBondContact O-N 2.75Å; N1503-S1507 PolarHBondContact O-OG 2.98Å; V1504-S1507 PolarHBondContact O-N 2.8Å; S1507-M1509 VanDerWaalsContact C-N 3.33Å; S1507-M1509 PolarHBondContact O-N 3.47Å; S1507-L1510 PolarHBondContact O-N 3.09Å; S1507-A1511 PolarHBondContact O-N 2.94Å |
| 1508 | N | 79.7 | Confident | 76.9 | Confident | 91 Ų | 91 | 40.8 Ų | 40.8 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.7 | -48.6 | 171.5 | -74 | -20.1 | 0 | 0 | 0 | 110 | V1504 L1510 A1511 D1512 | V1504-N1508 VanDerWaalsContact O-CB 3.26Å; V1504-N1508 WeakPolarHBondContact O-CB 3.28Å; V1504-N1508 PolarHBondContact O-N 3.33Å; V1504-N1508 PolarHBondContact O-ND2 3.37Å; N1508-L1510 PolarHBondContact O-N 3.4Å; N1508-A1511 WeakPolarHBondContact O-CB 3.37Å; N1508-A1511 PolarHBondContact O-N 2.92Å; N1508-D1512 WeakPolarHBondContact O-CB 3.48Å; N1508-D1512 PolarHBondContact O-N 3.14Å |
| 1509 | M | 78.4 | Confident | 77.3 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 178 | 179.6 | 161.4 | -77 | 0 | 0 | 113.3 | Y1447 L1461 D1505 L1506 S1507 D1512 I1513 | Y1447-M1509 HydrophobicContact CD1-CE 4.33Å; Y1447-M1509 HydrophobicContact CD1-SD 4.15Å; Y1447-M1509 HydrophobicContact CD2-CE 3.26Å; Y1447-M1509 HydrophobicContact CD2-SD 4.09Å; Y1447-M1509 HydrophobicContact CE2-CE 3.79Å; Y1447-M1509 HydrophobicContact CG-CE 3.58Å; Y1447-M1509 HydrophobicContact CG-SD 3.75Å; L1461-M1509 HydrophobicContact CD1-SD 4.04Å; L1461-M1509 HydrophobicContact CD2-CB 4.47Å; L1461-M1509 HydrophobicContact CD2-CG 3.79Å; L1461-M1509 HydrophobicContact CD2-SD 4.29Å; D1505-M1509 WeakPolarHBondContact O-CB 3.39Å; D1505-M1509 PolarHBondContact O-N 2.82Å; L1506-M1509 PolarHBondContact O-N 3.26Å; S1507-M1509 VanDerWaalsContact C-N 3.33Å; S1507-M1509 PolarHBondContact O-N 3.47Å; M1509-D1512 PolarHBondContact O-N 2.92Å; M1509-I1513 HydrophobicContact CG-CD1 3.73Å; M1509-I1513 HydrophobicContact CG-CG1 4.26Å; M1509-I1513 WeakPolarHBondContact O-CB 3.27Å; M1509-I1513 WeakPolarHBondContact O-CG1 3.5Å; M1509-I1513 PolarHBondContact O-N 3.1Å; M1509-I1513 HydrophobicContact SD-CD1 4.29Å |
| 1510 | L | 78.1 | Confident | 77.9 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 173.7 | -79.8 | 164.7 | 0 | 0 | 0 | 111.5 | A1460 L1461 M1464 I1493 L1506 S1507 N1508 F1514 | A1460-L1510 HydrophobicContact CB-CD1 4.3Å; A1460-L1510 HydrophobicContact CB-CD2 3.8Å; L1461-L1510 HydrophobicContact CD2-CD2 3.73Å; L1461-L1510 HydrophobicContact CD2-CG 3.86Å; L1461-L1510 HydrophobicContact CG-CD2 4.45Å; M1464-L1510 HydrophobicContact CE-CD2 3.75Å; M1464-L1510 HydrophobicContact SD-CD2 3.92Å; I1493-L1510 HydrophobicContact CG2-CD2 4.45Å; L1506-L1510 WeakPolarHBondContact O-CB 3.23Å; L1506-L1510 WeakPolarHBondContact O-CG 3.27Å; L1506-L1510 PolarHBondContact O-N 3.4Å; S1507-L1510 PolarHBondContact O-N 3.09Å; N1508-L1510 PolarHBondContact O-N 3.4Å; L1510-F1514 WeakPolarHBondContact O-CB 3.17Å; L1510-F1514 PolarHBondContact O-N 3.01Å |
| 1511 | A | 83.5 | Confident | 78.5 | Confident | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1498 S1507 N1508 F1514 L1515 F1554 | F1498-A1511 HydrophobicContact CD2-CB 4.34Å; F1498-A1511 HydrophobicContact CE2-CB 3.65Å; F1498-A1511 HydrophobicContact CZ-CB 4.4Å; S1507-A1511 PolarHBondContact O-N 2.94Å; N1508-A1511 WeakPolarHBondContact O-CB 3.37Å; N1508-A1511 PolarHBondContact O-N 2.92Å; A1511-F1514 PolarHBondContact O-N 3.3Å; A1511-L1515 WeakPolarHBondContact O-CB 3.45Å; A1511-L1515 WeakPolarHBondContact O-CG 3.37Å; A1511-L1515 PolarHBondContact O-N 3.24Å; A1511-F1554 HydrophobicContact CB-CD2 4.23Å; A1511-F1554 HydrophobicContact CB-CE1 4.34Å; A1511-F1554 HydrophobicContact CB-CE2 3.33Å; A1511-F1554 HydrophobicContact CB-CZ 3.38Å |
| 1512 | D | 84.2 | Confident | 79.2 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.1 | -36.1 | -174.8 | -158.1 | 1.6 | 0 | 0 | 0 | 111 | R1443 N1508 M1509 M1516 | R1443-D1512 IonicContact CZ-OD1 3.47Å; R1443-D1512 IonicContact CZ-OD2 2.92Å; R1443-D1512 VanDerWaalsContact CZ-OD2 3.25Å; R1443-D1512 IonicContact NE-OD2 3.43Å; R1443-D1512 VanDerWaalsContact NH1-C 3.31Å; R1443-D1512 VanDerWaalsContact NH1-CG 3.29Å; R1443-D1512 PolarHBondContact NH1-O 3.27Å; R1443-D1512 IonicContact NH1-OD1 2.69Å; R1443-D1512 PolarHBondContact NH1-OD1 2.78Å; R1443-D1512 IonicContact NH1-OD2 3.78Å; R1443-D1512 IonicContact NH2-OD1 2.62Å; R1443-D1512 PolarHBondContact NH2-OD1 2.98Å; R1443-D1512 IonicContact NH2-OD2 2.63Å; R1443-D1512 PolarHBondContact NH2-OD2 3.05Å; N1508-D1512 WeakPolarHBondContact O-CB 3.48Å; N1508-D1512 PolarHBondContact O-N 3.14Å; M1509-D1512 PolarHBondContact O-N 2.92Å; D1512-M1516 WeakPolarHBondContact O-CB 3.48Å; D1512-M1516 PolarHBondContact O-N 2.81Å; D1512-M1516 VanDerWaalsContact O-N 3.09Å |
| 1513 | I | 83.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72 | -44.6 | 169.3 | -68.8 | 172.9 | 0 | 0 | 0 | 110.6 | V1440 R1443 L1461 M1464 M1509 L1515 M1516 V1517 | V1440-I1513 HydrophobicContact CG1-CG2 4.47Å; V1440-I1513 HydrophobicContact CG2-CG2 4.19Å; R1443-I1513 HydrophobicContact CB-CD1 4.27Å; R1443-I1513 HydrophobicContact CB-CG1 4.35Å; L1461-I1513 HydrophobicContact CD2-CD1 4.05Å; M1464-I1513 HydrophobicContact CB-CG2 4.45Å; M1464-I1513 HydrophobicContact SD-CB 4.25Å; M1464-I1513 HydrophobicContact SD-CG2 3.77Å; M1509-I1513 HydrophobicContact CG-CD1 3.73Å; M1509-I1513 HydrophobicContact CG-CG1 4.26Å; M1509-I1513 WeakPolarHBondContact O-CB 3.27Å; M1509-I1513 WeakPolarHBondContact O-CG1 3.5Å; M1509-I1513 PolarHBondContact O-N 3.1Å; M1509-I1513 HydrophobicContact SD-CD1 4.29Å; I1513-L1515 PolarHBondContact O-N 2.98Å; I1513-M1516 PolarHBondContact O-N 3.33Å; I1513-V1517 HydrophobicContact CG2-CG2 4.3Å; I1513-V1517 WeakPolarHBondContact O-CG2 3.36Å; I1513-V1517 PolarHBondContact O-N 3.28Å |
| 1514 | F | 86.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.3 | -50.6 | 176.1 | 179.5 | -88.8 | 0 | 0 | 0 | 111.3 | M1464 L1490 L1491 L1494 L1510 A1511 M1516 V1517 T1518 F1554 L1555 L1560 | M1464-F1514 HydrophobicContact CE-CB 4.09Å; M1464-F1514 HydrophobicContact CE-CD2 4.36Å; L1490-F1514 HydrophobicContact CB-CD2 3.88Å; L1490-F1514 HydrophobicContact CB-CE2 3.89Å; L1491-F1514 HydrophobicContact CD2-CE2 3.93Å; L1491-F1514 HydrophobicContact CD2-CZ 3.59Å; L1491-F1514 HydrophobicContact CG-CE2 4.18Å; L1491-F1514 HydrophobicContact CG-CZ 4.19Å; L1494-F1514 HydrophobicContact CB-CD2 4.15Å; L1494-F1514 HydrophobicContact CB-CE2 4.31Å; L1494-F1514 HydrophobicContact CD1-CB 4.31Å; L1494-F1514 HydrophobicContact CD1-CD2 4.37Å; L1494-F1514 HydrophobicContact CD1-CG 4.17Å; L1494-F1514 HydrophobicContact CD2-CD1 4.36Å; L1494-F1514 HydrophobicContact CD2-CD2 4.31Å; L1494-F1514 HydrophobicContact CD2-CE1 4.2Å; L1494-F1514 HydrophobicContact CD2-CE2 4.16Å; L1494-F1514 HydrophobicContact CD2-CG 4.43Å; L1494-F1514 HydrophobicContact CD2-CZ 4.1Å; L1510-F1514 WeakPolarHBondContact O-CB 3.17Å; L1510-F1514 PolarHBondContact O-N 3.01Å; A1511-F1514 PolarHBondContact O-N 3.3Å; F1514-M1516 PolarHBondContact O-N 3.28Å; F1514-V1517 PolarHBondContact O-N 3.14Å; F1514-T1518 HydrophobicContact CD1-CG2 4.06Å; F1514-T1518 HydrophobicContact CD2-CG2 4.14Å; F1514-T1518 HydrophobicContact CE1-CG2 3.69Å; F1514-T1518 HydrophobicContact CE2-CG2 3.76Å; F1514-T1518 HydrophobicContact CG-CG2 4.26Å; F1514-T1518 HydrophobicContact CZ-CG2 3.52Å; F1514-T1518 VanDerWaalsContact O-CB 3.29Å; F1514-T1518 WeakPolarHBondContact O-CB 3.19Å; F1514-T1518 WeakPolarHBondContact O-CG2 3.29Å; F1514-T1518 PolarHBondContact O-N 3.35Å; F1514-T1518 PolarHBondContact O-OG1 3.44Å; F1514-F1554 AromaticContact CD1-CE1 3.98Å; F1514-F1554 HydrophobicContact CD1-CE1 3.98Å; F1514-F1554 HydrophobicContact CE1-CE1 4.39Å; F1514-L1555 HydrophobicContact CE1-CD2 4.03Å; F1514-L1555 HydrophobicContact CZ-CD2 4.14Å; F1514-L1560 HydrophobicContact CE1-CD1 3.84Å |
| 1515 | L | 87.5 | Confident | 80.2 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 28% | 0.277 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.5 | -34.7 | 178.4 | -73.1 | 168.6 | 0 | 0 | 0 | 112.6 | A1511 I1513 T1518 R1519 F1554 N1558 L1560 | A1511-L1515 WeakPolarHBondContact O-CB 3.45Å; A1511-L1515 WeakPolarHBondContact O-CG 3.37Å; A1511-L1515 PolarHBondContact O-N 3.24Å; I1513-L1515 PolarHBondContact O-N 2.98Å; L1515-T1518 WeakPolarHBondContact CA-OG1 3.26Å; L1515-R1519 WeakPolarHBondContact O-CB 3Å; L1515-R1519 PolarHBondContact O-N 2.93Å; L1515-F1554 HydrophobicContact CD1-CE2 4.05Å; L1515-F1554 HydrophobicContact CD1-CZ 3.65Å; L1515-F1554 HydrophobicContact CD2-CZ 4.29Å; L1515-F1554 HydrophobicContact CG-CE1 4.5Å; L1515-F1554 HydrophobicContact CG-CZ 3.79Å; L1515-N1558 HydrophobicContact CD2-CB 4.12Å; L1515-L1560 HydrophobicContact CD2-CD1 4.45Å |
| 1516 | M | 87 | Confident | 80.4 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -50.9 | 175 | 179.6 | -175.6 | 77.1 | 0 | 0 | 111.4 | K1439 V1440 D1512 I1513 F1514 D1520 | K1439-M1516 HydrophobicContact CB-CE 3.71Å; K1439-M1516 HydrophobicContact CB-SD 3.84Å; K1439-M1516 HydrophobicContact CD-SD 4.47Å; V1440-M1516 HydrophobicContact CB-CE 4.5Å; V1440-M1516 HydrophobicContact CG2-CE 3.69Å; D1512-M1516 WeakPolarHBondContact O-CB 3.48Å; D1512-M1516 PolarHBondContact O-N 2.81Å; D1512-M1516 VanDerWaalsContact O-N 3.09Å; I1513-M1516 PolarHBondContact O-N 3.33Å; F1514-M1516 PolarHBondContact O-N 3.28Å; M1516-D1520 PolarHBondContact O-N 3.39Å |
| 1517 | V | 83.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.8 | -48.7 | -179.5 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | I1436 V1440 V1468 V1486 L1490 I1513 F1514 R1519 D1520 L1521 | I1436-V1517 HydrophobicContact CG2-CB 4.22Å; I1436-V1517 HydrophobicContact CG2-CG1 3.67Å; I1436-V1517 HydrophobicContact CG2-CG2 3.75Å; V1440-V1517 HydrophobicContact CG2-CG2 3.71Å; V1468-V1517 HydrophobicContact CG2-CG1 4.27Å; V1486-V1517 HydrophobicContact CG1-CG1 4.28Å; L1490-V1517 HydrophobicContact CD1-CB 3.83Å; L1490-V1517 HydrophobicContact CD1-CG1 3.52Å; I1513-V1517 HydrophobicContact CG2-CG2 4.3Å; I1513-V1517 WeakPolarHBondContact O-CG2 3.36Å; I1513-V1517 PolarHBondContact O-N 3.28Å; F1514-V1517 PolarHBondContact O-N 3.14Å; V1517-R1519 VanDerWaalsContact C-N 3.27Å; V1517-R1519 PolarHBondContact O-N 3.42Å; V1517-D1520 PolarHBondContact O-N 3.41Å; V1517-D1520 VanDerWaalsContact O-N 3.1Å; V1517-L1521 HydrophobicContact CG1-CD1 3.93Å; V1517-L1521 HydrophobicContact CG1-CG 4.26Å; V1517-L1521 VanDerWaalsContact O-CG 3.32Å; V1517-L1521 WeakPolarHBondContact O-CG 3.48Å; V1517-L1521 PolarHBondContact O-N 3.15Å |
| 1518 | T | 82.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -33.4 | 179.4 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | F1487 L1490 F1514 L1515 L1521 I1522 | F1487-T1518 HydrophobicContact CD2-CG2 3.76Å; F1487-T1518 HydrophobicContact CE2-CG2 3.35Å; F1487-T1518 HydrophobicContact CZ-CG2 3.84Å; L1490-T1518 HydrophobicContact CD1-CG2 4.44Å; F1514-T1518 HydrophobicContact CD1-CG2 4.06Å; F1514-T1518 HydrophobicContact CD2-CG2 4.14Å; F1514-T1518 HydrophobicContact CE1-CG2 3.69Å; F1514-T1518 HydrophobicContact CE2-CG2 3.76Å; F1514-T1518 HydrophobicContact CG-CG2 4.26Å; F1514-T1518 HydrophobicContact CZ-CG2 3.52Å; F1514-T1518 VanDerWaalsContact O-CB 3.29Å; F1514-T1518 WeakPolarHBondContact O-CB 3.19Å; F1514-T1518 WeakPolarHBondContact O-CG2 3.29Å; F1514-T1518 PolarHBondContact O-N 3.35Å; F1514-T1518 PolarHBondContact O-OG1 3.44Å; L1515-T1518 WeakPolarHBondContact CA-OG1 3.26Å; T1518-L1521 PolarHBondContact O-N 2.75Å; T1518-I1522 WeakPolarHBondContact O-CB 3.45Å; T1518-I1522 WeakPolarHBondContact O-CD1 3.27Å; T1518-I1522 WeakPolarHBondContact O-CG1 3.34Å; T1518-I1522 PolarHBondContact O-N 2.91Å |
| 1519 | R | 84 | Confident | 80.8 | Confident | 197 Ų | 197 | 44 Ų | 44 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.4 | -41.6 | 172.5 | -178.7 | 178.5 | 172.3 | -167.8 | -3.4 | 113 | L1515 V1517 L1521 I1522 G1523 | L1515-R1519 WeakPolarHBondContact O-CB 3Å; L1515-R1519 PolarHBondContact O-N 2.93Å; V1517-R1519 VanDerWaalsContact C-N 3.27Å; V1517-R1519 PolarHBondContact O-N 3.42Å; R1519-L1521 VanDerWaalsContact C-N 3.29Å; R1519-L1521 PolarHBondContact O-N 3.38Å; R1519-I1522 PolarHBondContact O-N 2.85Å; R1519-G1523 PolarHBondContact O-N 2.84Å |
| 1520 | D | 82.6 | Confident | 80.9 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 175 | -72.8 | -30 | 0 | 0 | 0 | 111 | I1436 K1439 M1516 V1517 | I1436-D1520 HydrophobicContact CD1-CB 3.94Å; I1436-D1520 HydrophobicContact CG1-CB 4.12Å; K1439-D1520 IonicContact NZ-OD1 3.33Å; K1439-D1520 PolarHBondContact NZ-OD1 3.27Å; K1439-D1520 IonicContact NZ-OD2 2.81Å; K1439-D1520 PolarHBondContact NZ-OD2 2.87Å; M1516-D1520 PolarHBondContact O-N 3.39Å; V1517-D1520 PolarHBondContact O-N 3.41Å; V1517-D1520 VanDerWaalsContact O-N 3.1Å |
| 1521 | L | 81.8 | Confident | 81 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.6 | -40.7 | 176.5 | -59.1 | 173.1 | 0 | 0 | 0 | 112.7 | F1433 I1436 I1483 V1486 F1487 V1517 T1518 R1519 G1523 I1524 K1525 | F1433-L1521 HydrophobicContact CE1-CD2 4.37Å; I1436-L1521 HydrophobicContact CD1-CD2 4.2Å; I1483-L1521 HydrophobicContact CB-CD2 4.25Å; I1483-L1521 HydrophobicContact CG1-CD2 3.82Å; I1483-L1521 HydrophobicContact CG2-CB 4.31Å; I1483-L1521 HydrophobicContact CG2-CD2 4.02Å; V1486-L1521 HydrophobicContact CB-CD1 4.38Å; V1486-L1521 HydrophobicContact CG1-CD1 3.85Å; F1487-L1521 HydrophobicContact CB-CD1 4.48Å; F1487-L1521 HydrophobicContact CD2-CB 4.43Å; F1487-L1521 HydrophobicContact CD2-CD1 4.03Å; V1517-L1521 HydrophobicContact CG1-CD1 3.93Å; V1517-L1521 HydrophobicContact CG1-CG 4.26Å; V1517-L1521 VanDerWaalsContact O-CG 3.32Å; V1517-L1521 WeakPolarHBondContact O-CG 3.48Å; V1517-L1521 PolarHBondContact O-N 3.15Å; T1518-L1521 PolarHBondContact O-N 2.75Å; R1519-L1521 VanDerWaalsContact C-N 3.29Å; R1519-L1521 PolarHBondContact O-N 3.38Å; L1521-G1523 VanDerWaalsContact C-N 3.29Å; L1521-G1523 PolarHBondContact O-N 3.41Å; L1521-I1524 PolarHBondContact O-N 2.94Å; L1521-K1525 PolarHBondContact O-N 3.39Å |
| 1522 | I | 80 | Confident | 80.6 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 174.8 | -77.3 | 164.4 | 0 | 0 | 0 | 110.9 | F1487 T1518 R1519 I1524 K1525 G1526 D1527 A1530 L1560 | F1487-I1522 HydrophobicContact CE2-CD1 4.39Å; F1487-I1522 HydrophobicContact CE2-CG1 4.32Å; T1518-I1522 WeakPolarHBondContact O-CB 3.45Å; T1518-I1522 WeakPolarHBondContact O-CD1 3.27Å; T1518-I1522 WeakPolarHBondContact O-CG1 3.34Å; T1518-I1522 PolarHBondContact O-N 2.91Å; R1519-I1522 PolarHBondContact O-N 2.85Å; I1522-I1524 PolarHBondContact O-N 3.24Å; I1522-K1525 PolarHBondContact O-N 3.37Å; I1522-G1526 WeakPolarHBondContact O-CA 3.32Å; I1522-G1526 PolarHBondContact O-N 2.87Å; I1522-D1527 VanDerWaalsContact CG2-OD1 3.26Å; I1522-D1527 WeakPolarHBondContact CG2-OD1 3.25Å; I1522-A1530 HydrophobicContact CD1-CB 3.71Å; I1522-A1530 HydrophobicContact CG1-CB 3.6Å; I1522-L1560 HydrophobicContact CD1-CD2 3.65Å |
| 1523 | G | 77 | Confident | 80.3 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 72% | 0.722 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.4 | -13.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1519 L1521 | R1519-G1523 PolarHBondContact O-N 2.84Å; L1521-G1523 VanDerWaalsContact C-N 3.29Å; L1521-G1523 PolarHBondContact O-N 3.41Å |
| 1524 | I | 73.6 | Confident | 80.2 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 36% | 0.359 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -112.8 | -31 | 179.9 | -61.2 | 168.9 | 0 | 0 | 0 | 111.8 | L1432 I1483 L1521 I1522 | L1432-I1524 HydrophobicContact CD1-CD1 3.84Å; L1432-I1524 HydrophobicContact CD2-CD1 3.3Å; L1432-I1524 HydrophobicContact CG-CD1 4.16Å; I1483-I1524 HydrophobicContact CD1-CD1 4.42Å; I1483-I1524 HydrophobicContact CD1-CG2 3.94Å; L1521-I1524 PolarHBondContact O-N 2.94Å; I1522-I1524 PolarHBondContact O-N 3.24Å |
| 1525 | K | 74.6 | Confident | 79.5 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 22% | 0.222 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -107.4 | -17.1 | -175.2 | -76.3 | -66.1 | -160.1 | -176.7 | 0 | 115.8 | H1480 I1483 L1521 I1522 W1529 | H1480-K1525 PolarHBondContact CD2-NZ 2.9Å; H1480-K1525 PolarHBondContact CE1-NZ 3.12Å; H1480-K1525 VanDerWaalsContact CE1-NZ 3.35Å; H1480-K1525 PolarHBondContact ND1-NZ 3.22Å; H1480-K1525 PolarHBondContact NE2-NZ 3.06Å; I1483-K1525 HydrophobicContact CG2-CG 3.69Å; L1521-K1525 PolarHBondContact O-N 3.39Å; I1522-K1525 PolarHBondContact O-N 3.37Å; K1525-W1529 HydrophobicContact CB-CB 4.06Å; K1525-W1529 HydrophobicContact CB-CD2 3.41Å; K1525-W1529 VanDerWaalsContact CB-CD2 3.41Å; K1525-W1529 HydrophobicContact CB-CE3 3.29Å; K1525-W1529 HydrophobicContact CB-CG 3.77Å; K1525-W1529 HydrophobicContact CB-CH2 4.46Å; K1525-W1529 HydrophobicContact CB-CZ3 3.86Å; K1525-W1529 HydrophobicContact CD-CD2 4.08Å; K1525-W1529 HydrophobicContact CD-CG 4.23Å; K1525-W1529 HydrophobicContact CD-CZ2 4.39Å; K1525-W1529 HydrophobicContact CG-CD2 3.69Å; K1525-W1529 HydrophobicContact CG-CE3 3.78Å; K1525-W1529 HydrophobicContact CG-CG 4.24Å; K1525-W1529 HydrophobicContact CG-CH2 4.07Å; K1525-W1529 HydrophobicContact CG-CZ2 3.99Å; K1525-W1529 HydrophobicContact CG-CZ3 3.97Å; K1525-W1529 WeakPolarHBondContact O-CB 3.22Å |
| 1526 | G | 74.9 | Confident | 78.6 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | 80.9 | 154.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1522 V1528 W1529 A1530 | I1522-G1526 WeakPolarHBondContact O-CA 3.32Å; I1522-G1526 PolarHBondContact O-N 2.87Å; G1526-V1528 VanDerWaalsContact C-N 3.35Å; G1526-V1528 PolarHBondContact O-N 3.08Å; G1526-W1529 PolarHBondContact O-N 2.57Å; G1526-A1530 PolarHBondContact O-N 3.33Å | ||
| 1527 | D | 76.6 | Confident | 77.8 | Confident | 102 Ų | 102 | 50.4 Ų | 50.4 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | -177 | -60.1 | -65.5 | 0 | 0 | 0 | 112.7 | I1522 W1529 A1530 Q1531 | I1522-D1527 VanDerWaalsContact CG2-OD1 3.26Å; I1522-D1527 WeakPolarHBondContact CG2-OD1 3.25Å; D1527-W1529 VanDerWaalsContact C-N 3.25Å; D1527-W1529 PolarHBondContact O-N 3.48Å; D1527-A1530 WeakPolarHBondContact O-CB 3.49Å; D1527-A1530 PolarHBondContact O-N 2.97Å; D1527-Q1531 WeakPolarHBondContact O-CG 3.05Å; D1527-Q1531 PolarHBondContact O-N 3.27Å |
| 1528 | V | 74.4 | Confident | 77.1 | Confident | 96 Ų | 96 | 50.6 Ų | 50.6 | 58% | 0.582 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.5 | -31.7 | -178.9 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | G1526 K1532 | G1526-V1528 VanDerWaalsContact C-N 3.35Å; G1526-V1528 PolarHBondContact O-N 3.08Å; V1528-K1532 WeakPolarHBondContact O-CB 3.34Å; V1528-K1532 WeakPolarHBondContact O-CG 3.5Å; V1528-K1532 PolarHBondContact O-N 3.01Å |
| 1529 | W | 83.2 | Confident | 76 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 173.2 | 170.4 | 90.3 | 0 | 0 | 0 | 111.1 | I1483 F1487 K1525 G1526 D1527 K1532 Q1533 | I1483-W1529 HydrophobicContact CG2-CH2 3.59Å; I1483-W1529 HydrophobicContact CG2-CZ2 3.97Å; I1483-W1529 HydrophobicContact CG2-CZ3 4.33Å; F1487-W1529 HydrophobicContact CB-CH2 3.68Å; F1487-W1529 HydrophobicContact CB-CZ3 4.23Å; F1487-W1529 AromaticContact CD2-CH2 3.86Å; F1487-W1529 HydrophobicContact CD2-CH2 3.86Å; F1487-W1529 AromaticContact CD2-CZ3 3.53Å; F1487-W1529 HydrophobicContact CD2-CZ3 3.53Å; F1487-W1529 AromaticContact CE2-CZ3 3.95Å; F1487-W1529 HydrophobicContact CE2-CZ3 3.95Å; F1487-W1529 AromaticContact CG-CH2 3.81Å; F1487-W1529 HydrophobicContact CG-CH2 3.81Å; F1487-W1529 AromaticContact CG-CZ3 3.86Å; F1487-W1529 HydrophobicContact CG-CZ3 3.86Å; K1525-W1529 HydrophobicContact CB-CB 4.06Å; K1525-W1529 HydrophobicContact CB-CD2 3.41Å; K1525-W1529 VanDerWaalsContact CB-CD2 3.41Å; K1525-W1529 HydrophobicContact CB-CE3 3.29Å; K1525-W1529 HydrophobicContact CB-CG 3.77Å; K1525-W1529 HydrophobicContact CB-CH2 4.46Å; K1525-W1529 HydrophobicContact CB-CZ3 3.86Å; K1525-W1529 HydrophobicContact CD-CD2 4.08Å; K1525-W1529 HydrophobicContact CD-CG 4.23Å; K1525-W1529 HydrophobicContact CD-CZ2 4.39Å; K1525-W1529 HydrophobicContact CG-CD2 3.69Å; K1525-W1529 HydrophobicContact CG-CE3 3.78Å; K1525-W1529 HydrophobicContact CG-CG 4.24Å; K1525-W1529 HydrophobicContact CG-CH2 4.07Å; K1525-W1529 HydrophobicContact CG-CZ2 3.99Å; K1525-W1529 HydrophobicContact CG-CZ3 3.97Å; K1525-W1529 WeakPolarHBondContact O-CB 3.22Å; G1526-W1529 PolarHBondContact O-N 2.57Å; D1527-W1529 VanDerWaalsContact C-N 3.25Å; D1527-W1529 PolarHBondContact O-N 3.48Å; W1529-K1532 PolarHBondContact O-N 3.14Å; W1529-Q1533 HydrophobicContact CD2-CG 4.22Å; W1529-Q1533 HydrophobicContact CZ2-CG 4.09Å; W1529-Q1533 WeakPolarHBondContact O-CG 3.23Å; W1529-Q1533 PolarHBondContact O-N 3.42Å |
| 1530 | A | 80.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1487 I1522 G1526 D1527 K1532 Q1533 V1534 L1560 | F1487-A1530 HydrophobicContact CE1-CB 4.19Å; F1487-A1530 HydrophobicContact CE2-CB 3.92Å; F1487-A1530 HydrophobicContact CZ-CB 3.47Å; F1487-A1530 VanDerWaalsContact CZ-CB 3.47Å; I1522-A1530 HydrophobicContact CD1-CB 3.71Å; I1522-A1530 HydrophobicContact CG1-CB 3.6Å; G1526-A1530 PolarHBondContact O-N 3.33Å; D1527-A1530 WeakPolarHBondContact O-CB 3.49Å; D1527-A1530 PolarHBondContact O-N 2.97Å; A1530-K1532 PolarHBondContact O-N 3.31Å; A1530-Q1533 PolarHBondContact O-N 2.88Å; A1530-V1534 WeakPolarHBondContact O-CG2 3.19Å; A1530-V1534 PolarHBondContact O-N 3.35Å; A1530-L1560 HydrophobicContact CB-CD2 4.2Å |
| 1531 | Q | 80 | Confident | 73.2 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 172.9 | -71.5 | 171.1 | -23.9 | 0 | 0 | 111.2 | D1527 Q1533 V1534 S1535 K1559 | D1527-Q1531 WeakPolarHBondContact O-CG 3.05Å; D1527-Q1531 PolarHBondContact O-N 3.27Å; Q1531-Q1533 VanDerWaalsContact C-N 3.32Å; Q1531-Q1533 PolarHBondContact O-N 3.38Å; Q1531-V1534 PolarHBondContact O-N 2.93Å; Q1531-S1535 PolarHBondContact O-N 3.01Å; Q1531-S1535 PolarHBondContact O-OG 2.7Å; Q1531-K1559 PolarHBondContact NE2-O 3.43Å |
| 1532 | K | 74.9 | Confident | 71.4 | Confident | 150 Ų | 150 | 53.7 Ų | 53.7 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.9 | -36.5 | 176.1 | -80.3 | -171.5 | 173.7 | -171.4 | 0 | 113.6 | V1528 W1529 A1530 K1536 | V1528-K1532 WeakPolarHBondContact O-CB 3.34Å; V1528-K1532 WeakPolarHBondContact O-CG 3.5Å; V1528-K1532 PolarHBondContact O-N 3.01Å; W1529-K1532 PolarHBondContact O-N 3.14Å; A1530-K1532 PolarHBondContact O-N 3.31Å; K1532-K1536 WeakPolarHBondContact O-CB 3.3Å; K1532-K1536 PolarHBondContact O-N 3.46Å |
| 1533 | Q | 77.7 | Confident | 69.7 | Low | 25 Ų | 25 | 57.2 Ų | 57.2 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69 | -35.2 | 174.2 | -61.5 | -70.7 | 24 | 0 | 0 | 111.8 | F1487 W1529 A1530 Q1531 M1537 | F1487-Q1533 HydrophobicContact CD1-CB 4.03Å; F1487-Q1533 HydrophobicContact CE1-CB 4.27Å; W1529-Q1533 HydrophobicContact CD2-CG 4.22Å; W1529-Q1533 HydrophobicContact CZ2-CG 4.09Å; W1529-Q1533 WeakPolarHBondContact O-CG 3.23Å; W1529-Q1533 PolarHBondContact O-N 3.42Å; A1530-Q1533 PolarHBondContact O-N 2.88Å; Q1531-Q1533 VanDerWaalsContact C-N 3.32Å; Q1531-Q1533 PolarHBondContact O-N 3.38Å; Q1533-M1537 WeakPolarHBondContact O-CB 3.37Å; Q1533-M1537 PolarHBondContact O-N 3.35Å |
| 1534 | V | 81 | Confident | 68.1 | Low | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.7 | -49.6 | 175.6 | 174 | 0 | 0 | 0 | 0 | 111.9 | F1487 L1491 A1530 Q1531 K1536 M1537 L1538 L1555 L1560 A1561 | F1487-V1534 HydrophobicContact CE1-CG2 4.28Å; L1491-V1534 HydrophobicContact CD1-CG2 3.87Å; L1491-V1534 HydrophobicContact CD2-CG2 3.83Å; L1491-V1534 HydrophobicContact CG-CG2 4.49Å; A1530-V1534 WeakPolarHBondContact O-CG2 3.19Å; A1530-V1534 PolarHBondContact O-N 3.35Å; Q1531-V1534 PolarHBondContact O-N 2.93Å; V1534-K1536 VanDerWaalsContact C-N 3.34Å; V1534-K1536 PolarHBondContact O-N 3.44Å; V1534-M1537 PolarHBondContact O-N 2.92Å; V1534-L1538 HydrophobicContact CG1-CD1 4.06Å; V1534-L1538 HydrophobicContact CG1-CG 4.49Å; V1534-L1538 WeakPolarHBondContact O-CG 3.44Å; V1534-L1538 PolarHBondContact O-N 3.24Å; V1534-L1555 HydrophobicContact CG1-CD1 4.03Å; V1534-L1555 HydrophobicContact CG2-CD2 4.35Å; V1534-L1560 WeakPolarHBondContact CB-O 3.26Å; V1534-L1560 WeakPolarHBondContact CG1-O 3.33Å; V1534-L1560 HydrophobicContact CG2-CB 4.37Å; V1534-L1560 WeakPolarHBondContact CG2-O 3.29Å; V1534-A1561 HydrophobicContact CG1-CB 3.91Å |
| 1535 | S | 73 | Confident | 66.8 | Low | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | Q1531 M1537 L1538 L1539 | Q1531-S1535 PolarHBondContact O-N 3.01Å; Q1531-S1535 PolarHBondContact O-OG 2.7Å; S1535-M1537 PolarHBondContact O-N 3.41Å; S1535-L1538 PolarHBondContact O-N 3Å; S1535-L1539 WeakPolarHBondContact O-CB 3.49Å; S1535-L1539 WeakPolarHBondContact O-CD1 3.49Å; S1535-L1539 VanDerWaalsContact O-CG 3.23Å; S1535-L1539 WeakPolarHBondContact O-CG 3.38Å; S1535-L1539 PolarHBondContact O-N 3.38Å |
| 1536 | K | 67.1 | Low | 65.7 | Low | 64 Ų | 64 | 65.3 Ų | 65.3 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54 | -48.7 | 167 | 166.5 | -153.3 | 164 | -151.9 | 0 | 111.9 | D1488 K1532 V1534 L1538 L1539 C1540 | D1488-K1536 IonicContact OD1-NZ 2.68Å; D1488-K1536 PolarHBondContact OD1-NZ 3.29Å; D1488-K1536 IonicContact OD2-NZ 3.92Å; D1488-K1536 PolarHBondContact OD2-NZ 3.2Å; K1532-K1536 WeakPolarHBondContact O-CB 3.3Å; K1532-K1536 PolarHBondContact O-N 3.46Å; V1534-K1536 VanDerWaalsContact C-N 3.34Å; V1534-K1536 PolarHBondContact O-N 3.44Å; K1536-L1538 PolarHBondContact O-N 3.28Å; K1536-L1539 PolarHBondContact O-N 3.46Å; K1536-C1540 VanDerWaalsContact O-CB 3.27Å; K1536-C1540 WeakPolarHBondContact O-CB 3.31Å; K1536-C1540 PolarHBondContact O-N 2.66Å; K1536-C1540 PolarHBondContact O-SG 3.11Å; K1536-C1540 VanDerWaalsContact O-SG 3.33Å |
| 1537 | M | 71.1 | Confident | 65 | Low | 27 Ų | 27 | 65.2 Ų | 65.2 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.6 | -35.5 | -177.7 | -153.9 | -130.9 | 69.8 | 0 | 0 | 112.1 | L1491 F1495 Q1533 V1534 S1535 A1541 | L1491-M1537 HydrophobicContact CB-SD 3.82Å; L1491-M1537 HydrophobicContact CD1-CB 4.32Å; F1495-M1537 HydrophobicContact CD1-CE 4.26Å; F1495-M1537 HydrophobicContact CD2-CE 3.48Å; F1495-M1537 VanDerWaalsContact CD2-CE 3.48Å; F1495-M1537 HydrophobicContact CD2-SD 3.84Å; F1495-M1537 HydrophobicContact CE1-CE 4.22Å; F1495-M1537 HydrophobicContact CE2-CE 3.44Å; F1495-M1537 VanDerWaalsContact CE2-CE 3.44Å; F1495-M1537 HydrophobicContact CE2-SD 4.04Å; F1495-M1537 HydrophobicContact CG-CE 3.91Å; F1495-M1537 HydrophobicContact CZ-CE 3.83Å; Q1533-M1537 WeakPolarHBondContact O-CB 3.37Å; Q1533-M1537 PolarHBondContact O-N 3.35Å; V1534-M1537 PolarHBondContact O-N 2.92Å; S1535-M1537 PolarHBondContact O-N 3.41Å; M1537-A1541 WeakPolarHBondContact O-CB 3.49Å; M1537-A1541 PolarHBondContact O-N 2.96Å |
| 1538 | L | 67.9 | Low | 64.8 | Low | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -48.3 | 172.6 | -73.9 | 168.8 | 0 | 0 | 0 | 111.8 | F1495 V1534 S1535 K1536 C1540 A1541 L1547 I1552 A1565 | F1495-L1538 HydrophobicContact CE1-CD2 4.12Å; F1495-L1538 HydrophobicContact CZ-CD2 3.77Å; F1495-L1538 HydrophobicContact CZ-CG 4.49Å; V1534-L1538 HydrophobicContact CG1-CD1 4.06Å; V1534-L1538 HydrophobicContact CG1-CG 4.49Å; V1534-L1538 WeakPolarHBondContact O-CG 3.44Å; V1534-L1538 PolarHBondContact O-N 3.24Å; S1535-L1538 PolarHBondContact O-N 3Å; K1536-L1538 PolarHBondContact O-N 3.28Å; L1538-C1540 VanDerWaalsContact C-N 3.32Å; L1538-C1540 PolarHBondContact O-N 3.08Å; L1538-A1541 WeakPolarHBondContact O-CB 3.41Å; L1538-A1541 PolarHBondContact O-N 2.95Å; L1538-L1547 HydrophobicContact CD2-CD2 4.43Å; L1538-I1552 HydrophobicContact CD2-CD1 4.13Å; L1538-I1552 HydrophobicContact CD2-CG1 4.18Å; L1538-A1565 HydrophobicContact CD1-CB 3.76Å |
| 1539 | L | 60.4 | Low | 65 | Low | 122 Ų | 122 | 57.5 Ų | 57.5 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.4 | -34.7 | 177.7 | -70.5 | 166.3 | 0 | 0 | 0 | 112.5 | S1535 K1536 | S1535-L1539 WeakPolarHBondContact O-CB 3.49Å; S1535-L1539 WeakPolarHBondContact O-CD1 3.49Å; S1535-L1539 VanDerWaalsContact O-CG 3.23Å; S1535-L1539 WeakPolarHBondContact O-CG 3.38Å; S1535-L1539 PolarHBondContact O-N 3.38Å; K1536-L1539 PolarHBondContact O-N 3.46Å |
| 1540 | C | 54.6 | Low | 64.9 | Low | 83 Ų | 83 | 58 Ų | 58 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -84.1 | -16.8 | 177.3 | -68.6 | 0 | 0 | 0 | 0 | 114.5 | K1536 L1538 R1542 | K1536-C1540 VanDerWaalsContact O-CB 3.27Å; K1536-C1540 WeakPolarHBondContact O-CB 3.31Å; K1536-C1540 PolarHBondContact O-N 2.66Å; K1536-C1540 PolarHBondContact O-SG 3.11Å; K1536-C1540 VanDerWaalsContact O-SG 3.33Å; L1538-C1540 VanDerWaalsContact C-N 3.32Å; L1538-C1540 PolarHBondContact O-N 3.08Å; C1540-R1542 PolarHBondContact O-N 3.1Å |
| 1541 | A | 54 | Low | 65 | Low | 14 Ų | 14 | 58 Ų | 58 | 12% | 0.116 | 28% | 0.281 | C | S | . | . | trans | -53.6 | 137.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K994 M1537 L1538 L1547 | K994-A1541 WeakPolarHBondContact CE-O 3.37Å; K994-A1541 PolarHBondContact NZ-O 2.86Å; M1537-A1541 WeakPolarHBondContact O-CB 3.49Å; M1537-A1541 PolarHBondContact O-N 2.96Å; L1538-A1541 WeakPolarHBondContact O-CB 3.41Å; L1538-A1541 PolarHBondContact O-N 2.95Å; A1541-L1547 HydrophobicContact CB-CD2 3.88Å | ||
| 1542 | R | 43.8 | Very low | 65 | Low | 84 Ų | 84 | 55.5 Ų | 55.5 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | trans | -67.9 | 150.5 | -171.4 | -53.4 | -174.3 | 54.6 | 108.8 | 5.7 | 111.7 | D992 K994 S995 C1540 D1544 T1545 | D992-R1542 IonicContact OD2-NH2 2.71Å; K994-R1542 VanDerWaalsContact C-NH2 3.31Å; K994-R1542 HydrophobicContact CB-CB 4.06Å; K994-R1542 HydrophobicContact CB-CG 3.85Å; K994-R1542 HydrophobicContact CD-CB 4.47Å; K994-R1542 HydrophobicContact CG-CB 4.15Å; K994-R1542 HydrophobicContact CG-CG 4.04Å; K994-R1542 VanDerWaalsContact O-CZ 3.31Å; K994-R1542 PolarHBondContact O-NH1 2.84Å; K994-R1542 PolarHBondContact O-NH2 3.33Å; S995-R1542 PolarHBondContact OG-NH2 3.1Å; C1540-R1542 PolarHBondContact O-N 3.1Å; R1542-D1544 HydrophobicContact CB-CB 4.38Å; R1542-D1544 IonicContact CZ-OD2 2.7Å; R1542-D1544 VanDerWaalsContact CZ-OD2 3.24Å; R1542-D1544 IonicContact NE-OD2 3.36Å; R1542-D1544 PolarHBondContact NE-OD2 2.84Å; R1542-D1544 IonicContact NH2-OD2 3.05Å; R1542-D1544 PolarHBondContact NH2-OD2 3.47Å; R1542-D1544 PolarHBondContact O-N 2.63Å; R1542-D1544 VanDerWaalsContact O-N 3.09Å; R1542-T1545 WeakPolarHBondContact CA-OG1 3.14Å; R1542-T1545 HydrophobicContact CB-CG2 4.05Å; R1542-T1545 HydrophobicContact CG-CG2 4.26Å; R1542-T1545 PolarHBondContact N-OG1 2.99Å; R1542-T1545 PolarHBondContact O-N 3.04Å; R1542-T1545 VanDerWaalsContact O-N 3.12Å; R1542-T1545 PolarHBondContact O-OG1 2.95Å | ||
| 1543 | N | 44.3 | Very low | 65.4 | Low | 98 Ų | 98 | 49.1 Ų | 49.1 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.4 | 168.5 | -69.7 | 14.2 | 0 | 0 | 0 | 111.5 | K994 F1586 | K994-N1543 PolarHBondContact NZ-OD1 3.46Å; N1543-F1586 VanDerWaalsContact O-CZ 3.24Å; N1543-F1586 WeakPolarHBondContact O-CZ 3.45Å |
| 1544 | D | 43 | Very low | 65.8 | Low | 84 Ų | 84 | 49 Ų | 49 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -18.8 | 177.6 | -25.1 | -66.2 | 0 | 0 | 0 | 113.2 | R1542 R1546 | R1542-D1544 HydrophobicContact CB-CB 4.38Å; R1542-D1544 IonicContact CZ-OD2 2.7Å; R1542-D1544 VanDerWaalsContact CZ-OD2 3.24Å; R1542-D1544 IonicContact NE-OD2 3.36Å; R1542-D1544 PolarHBondContact NE-OD2 2.84Å; R1542-D1544 IonicContact NH2-OD2 3.05Å; R1542-D1544 PolarHBondContact NH2-OD2 3.47Å; R1542-D1544 PolarHBondContact O-N 2.63Å; R1542-D1544 VanDerWaalsContact O-N 3.09Å; D1544-R1546 PolarHBondContact O-N 3.27Å |
| 1545 | T | 47.1 | Very low | 66.1 | Low | 48 Ų | 48 | 49 Ų | 49 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -75.6 | 124.2 | 179.3 | 38.8 | 0 | 0 | 0 | 0 | 109.8 | R1542 L1547 | R1542-T1545 WeakPolarHBondContact CA-OG1 3.14Å; R1542-T1545 HydrophobicContact CB-CG2 4.05Å; R1542-T1545 HydrophobicContact CG-CG2 4.26Å; R1542-T1545 PolarHBondContact N-OG1 2.99Å; R1542-T1545 PolarHBondContact O-N 3.04Å; R1542-T1545 VanDerWaalsContact O-N 3.12Å; R1542-T1545 PolarHBondContact O-OG1 2.95Å; T1545-L1547 PolarHBondContact O-N 2.85Å |
| 1546 | R | 49.6 | Very low | 66.5 | Low | 229 Ų | 229 | 49.6 Ų | 49.6 | 86% | 0.864 | 24% | 0.243 | S | C | * | . | trans | -61 | 102.1 | 167 | -73.5 | -178.9 | 172.3 | -180 | -3.8 | 108.6 | D1544 N1548 | D1544-R1546 PolarHBondContact O-N 3.27Å; R1546-N1548 PolarHBondContact O-N 3.41Å; R1546-N1548 VanDerWaalsContact O-N 3.14Å | ||
| 1547 | L | 61.5 | Low | 67.4 | Low | 30 Ų | 30 | 54.8 Ų | 54.8 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | trans | -72.7 | 108.3 | 179.4 | -81.1 | 137.7 | 0 | 0 | 0 | 109.3 | F1495 L1538 A1541 T1545 L1549 I1552 F1568 L1572 | F1495-L1547 HydrophobicContact CE1-CD2 4.29Å; L1538-L1547 HydrophobicContact CD2-CD2 4.43Å; A1541-L1547 HydrophobicContact CB-CD2 3.88Å; T1545-L1547 PolarHBondContact O-N 2.85Å; L1547-L1549 PolarHBondContact O-N 3.38Å; L1547-L1549 VanDerWaalsContact O-N 3.1Å; L1547-I1552 HydrophobicContact CB-CD1 4.5Å; L1547-I1552 HydrophobicContact CD2-CD1 4.37Å; L1547-F1568 HydrophobicContact CD1-CE1 3.76Å; L1547-F1568 HydrophobicContact CD1-CZ 3.57Å; L1547-F1568 HydrophobicContact CD2-CE1 3.8Å; L1547-F1568 HydrophobicContact CD2-CZ 3.99Å; L1547-F1568 HydrophobicContact CG-CE1 4.28Å; L1547-F1568 HydrophobicContact CG-CZ 4.39Å; L1547-L1572 HydrophobicContact CD1-CD1 4.16Å | ||
| 1548 | N | 72.4 | Confident | 68 | Low | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | trans | -74.2 | 98.6 | -174.4 | -178.8 | -11.8 | 0 | 0 | 0 | 110.2 | F1495 F1498 R1546 H1550 A1551 I1552 | F1495-N1548 HydrophobicContact CD1-CB 4.44Å; F1495-N1548 WeakPolarHBondContact O-CB 3.37Å; F1495-N1548 PolarHBondContact O-ND2 3.09Å; F1498-N1548 PolarHBondContact O-ND2 2.9Å; F1498-N1548 PolarHBondContact O-OD1 2.7Å; R1546-N1548 PolarHBondContact O-N 3.41Å; R1546-N1548 VanDerWaalsContact O-N 3.14Å; N1548-H1550 PolarHBondContact O-N 3.2Å; N1548-H1550 WeakPolarHBondContact OD1-CB 3.41Å; N1548-H1550 PolarHBondContact OD1-N 2.8Å; N1548-A1551 HydrophobicContact CB-CB 4.02Å; N1548-A1551 WeakPolarHBondContact O-CA 3.41Å; N1548-A1551 WeakPolarHBondContact O-CB 3.34Å; N1548-A1551 PolarHBondContact O-N 3.25Å; N1548-A1551 PolarHBondContact OD1-N 3.36Å; N1548-I1552 PolarHBondContact O-N 3.47Å; N1548-I1552 VanDerWaalsContact O-N 3.08Å | ||
| 1549 | L | 78.1 | Confident | 68.7 | Low | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -29.9 | -177.6 | -69.8 | 159.4 | 0 | 0 | 0 | 112.8 | L1547 A1551 I1552 D1553 T1569 F1587 D1591 Q1594 A1595 M1598 | L1547-L1549 PolarHBondContact O-N 3.38Å; L1547-L1549 VanDerWaalsContact O-N 3.1Å; L1549-A1551 VanDerWaalsContact C-N 3.34Å; L1549-I1552 PolarHBondContact O-N 3.21Å; L1549-D1553 VanDerWaalsContact O-CB 3.29Å; L1549-D1553 WeakPolarHBondContact O-CB 3.26Å; L1549-D1553 PolarHBondContact O-N 2.95Å; L1549-T1569 HydrophobicContact CD2-CG2 4.47Å; L1549-F1587 HydrophobicContact CD1-CE1 4.06Å; L1549-D1591 HydrophobicContact CD1-CB 3.75Å; L1549-D1591 VanDerWaalsContact CD1-O 3.25Å; L1549-D1591 WeakPolarHBondContact CD1-O 3.48Å; L1549-Q1594 HydrophobicContact CB-CG 4.1Å; L1549-A1595 HydrophobicContact CD1-CB 4.03Å; L1549-A1595 HydrophobicContact CD2-CB 4.12Å; L1549-M1598 HydrophobicContact CB-SD 4.23Å; L1549-M1598 HydrophobicContact CD2-SD 3.9Å |
| 1550 | H | 81.6 | Confident | 69.6 | Low | 55 Ų | 55 | 58.7 Ų | 58.7 | 26% | 0.255 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 170.8 | -79.2 | -71.1 | 0 | 0 | 0 | 112.3 | F1498 P1500 N1548 F1554 Q1594 | F1498-H1550 HydrophobicContact CD1-CB 4.06Å; F1498-H1550 HydrophobicContact CE1-CB 4.08Å; F1498-H1550 WeakPolarHBondContact CE1-O 3.43Å; P1500-H1550 HydrophobicContact CG-CB 4.17Å; N1548-H1550 PolarHBondContact O-N 3.2Å; N1548-H1550 WeakPolarHBondContact OD1-CB 3.41Å; N1548-H1550 PolarHBondContact OD1-N 2.8Å; H1550-F1554 WeakPolarHBondContact O-CB 3.32Å; H1550-F1554 PolarHBondContact O-N 3.1Å; H1550-Q1594 PolarHBondContact CD2-OE1 3.44Å; H1550-Q1594 PolarHBondContact CE1-NE2 2.94Å; H1550-Q1594 VanDerWaalsContact CG-NE2 3.31Å; H1550-Q1594 PolarHBondContact ND1-NE2 3.19Å; H1550-Q1594 VanDerWaalsContact ND1-NE2 3.11Å; H1550-Q1594 PolarHBondContact NE2-OE1 2.81Å |
| 1551 | A | 81.2 | Confident | 70.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L1494 F1495 F1498 N1548 L1549 F1554 L1555 | L1494-A1551 HydrophobicContact CG-CB 4.37Å; F1495-A1551 HydrophobicContact CD1-CB 4.13Å; F1495-A1551 HydrophobicContact CE1-CB 4.38Å; F1495-A1551 HydrophobicContact CG-CB 4.25Å; F1498-A1551 HydrophobicContact CD1-CB 4.31Å; N1548-A1551 HydrophobicContact CB-CB 4.02Å; N1548-A1551 WeakPolarHBondContact O-CA 3.41Å; N1548-A1551 WeakPolarHBondContact O-CB 3.34Å; N1548-A1551 PolarHBondContact O-N 3.25Å; N1548-A1551 PolarHBondContact OD1-N 3.36Å; L1549-A1551 VanDerWaalsContact C-N 3.34Å; A1551-F1554 PolarHBondContact O-N 3.15Å; A1551-L1555 VanDerWaalsContact O-CG 3.27Å; A1551-L1555 WeakPolarHBondContact O-CG 3.46Å; A1551-L1555 PolarHBondContact O-N 3.19Å |
| 1552 | I | 81.6 | Confident | 71.6 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -50.4 | 176.2 | -56.4 | 176.8 | 0 | 0 | 0 | 110.6 | F1495 L1538 L1547 N1548 L1549 F1554 L1555 I1556 A1565 M1598 | F1495-I1552 HydrophobicContact CE1-CD1 4.27Å; F1495-I1552 HydrophobicContact CE1-CG1 3.59Å; F1495-I1552 HydrophobicContact CZ-CG1 4Å; L1538-I1552 HydrophobicContact CD2-CD1 4.13Å; L1538-I1552 HydrophobicContact CD2-CG1 4.18Å; L1547-I1552 HydrophobicContact CB-CD1 4.5Å; L1547-I1552 HydrophobicContact CD2-CD1 4.37Å; N1548-I1552 PolarHBondContact O-N 3.47Å; N1548-I1552 VanDerWaalsContact O-N 3.08Å; L1549-I1552 PolarHBondContact O-N 3.21Å; I1552-F1554 VanDerWaalsContact C-N 3.27Å; I1552-F1554 PolarHBondContact O-N 3.48Å; I1552-L1555 PolarHBondContact O-N 3.38Å; I1552-L1555 VanDerWaalsContact O-N 3.08Å; I1552-I1556 HydrophobicContact CG2-CD1 4Å; I1552-I1556 HydrophobicContact CG2-CG1 4.48Å; I1552-I1556 WeakPolarHBondContact O-CG1 3.32Å; I1552-I1556 PolarHBondContact O-N 3.35Å; I1552-A1565 HydrophobicContact CG2-CB 4.01Å; I1552-M1598 HydrophobicContact CB-CE 4.06Å; I1552-M1598 HydrophobicContact CG2-CE 3.73Å |
| 1553 | D | 82.7 | Confident | 72.9 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 175.7 | -178.5 | 35 | 0 | 0 | 0 | 111.7 | L1549 R1557 M1598 Y1602 | L1549-D1553 VanDerWaalsContact O-CB 3.29Å; L1549-D1553 WeakPolarHBondContact O-CB 3.26Å; L1549-D1553 PolarHBondContact O-N 2.95Å; D1553-R1557 WeakPolarHBondContact O-CB 3.48Å; D1553-R1557 WeakPolarHBondContact O-CG 3.4Å; D1553-R1557 PolarHBondContact O-N 3.2Å; D1553-R1557 IonicContact OD1-CZ 3.47Å; D1553-R1557 IonicContact OD1-NE 3.18Å; D1553-R1557 PolarHBondContact OD1-NE 3.15Å; D1553-R1557 IonicContact OD1-NH2 2.66Å; D1553-R1557 PolarHBondContact OD1-NH2 2.85Å; D1553-R1557 IonicContact OD2-CZ 3.16Å; D1553-R1557 IonicContact OD2-NE 2.74Å; D1553-R1557 PolarHBondContact OD2-NE 3.15Å; D1553-R1557 IonicContact OD2-NH2 3.32Å; D1553-R1557 PolarHBondContact OD2-NH2 2.95Å; D1553-M1598 HydrophobicContact CB-CE 4.12Å; D1553-M1598 HydrophobicContact CB-CG 4.42Å; D1553-M1598 HydrophobicContact CB-SD 4.02Å; D1553-Y1602 PolarHBondContact OD1-OH 2.92Å |
| 1554 | F | 86.4 | Confident | 74 | Confident | 23 Ų | 23 | 59 Ų | 59 | 10% | 0.101 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 171.8 | 174.1 | -95.3 | 0 | 0 | 0 | 113 | L1494 F1498 A1511 F1514 L1515 H1550 A1551 I1552 N1558 | L1494-F1554 HydrophobicContact CD1-CD1 4.32Å; L1494-F1554 HydrophobicContact CD1-CE1 4.14Å; L1494-F1554 HydrophobicContact CD2-CD1 3.95Å; L1494-F1554 HydrophobicContact CD2-CE1 4.13Å; F1498-F1554 HydrophobicContact CE1-CB 3.82Å; F1498-F1554 HydrophobicContact CE1-CD2 4.37Å; F1498-F1554 HydrophobicContact CE1-CG 4.16Å; F1498-F1554 HydrophobicContact CE2-CD2 4.5Å; F1498-F1554 HydrophobicContact CZ-CB 4.21Å; F1498-F1554 AromaticContact CZ-CD2 3.89Å; F1498-F1554 HydrophobicContact CZ-CD2 3.89Å; F1498-F1554 HydrophobicContact CZ-CG 4.11Å; A1511-F1554 HydrophobicContact CB-CD2 4.23Å; A1511-F1554 HydrophobicContact CB-CE1 4.34Å; A1511-F1554 HydrophobicContact CB-CE2 3.33Å; A1511-F1554 HydrophobicContact CB-CZ 3.38Å; F1514-F1554 AromaticContact CD1-CE1 3.98Å; F1514-F1554 HydrophobicContact CD1-CE1 3.98Å; F1514-F1554 HydrophobicContact CE1-CE1 4.39Å; L1515-F1554 HydrophobicContact CD1-CE2 4.05Å; L1515-F1554 HydrophobicContact CD1-CZ 3.65Å; L1515-F1554 HydrophobicContact CD2-CZ 4.29Å; L1515-F1554 HydrophobicContact CG-CE1 4.5Å; L1515-F1554 HydrophobicContact CG-CZ 3.79Å; H1550-F1554 WeakPolarHBondContact O-CB 3.32Å; H1550-F1554 PolarHBondContact O-N 3.1Å; A1551-F1554 PolarHBondContact O-N 3.15Å; I1552-F1554 VanDerWaalsContact C-N 3.27Å; I1552-F1554 PolarHBondContact O-N 3.48Å; F1554-N1558 WeakPolarHBondContact CD2-ND2 3.44Å; F1554-N1558 VanDerWaalsContact CE2-ND2 3.34Å; F1554-N1558 WeakPolarHBondContact CE2-ND2 3.44Å; F1554-N1558 PolarHBondContact O-N 3.29Å; F1554-N1558 VanDerWaalsContact O-N 3.13Å; F1554-N1558 PolarHBondContact O-ND2 3.29Å |
| 1555 | L | 85.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 178.3 | -70.7 | 165.3 | 0 | 0 | 0 | 111.9 | L1491 L1494 F1495 F1514 V1534 A1551 I1552 N1558 K1559 L1560 A1561 | L1491-L1555 HydrophobicContact CD2-CD1 4.05Å; L1491-L1555 HydrophobicContact CD2-CD2 4Å; L1494-L1555 HydrophobicContact CD2-CD1 4.26Å; L1494-L1555 HydrophobicContact CD2-CD2 4.03Å; L1494-L1555 HydrophobicContact CD2-CG 4.1Å; F1495-L1555 HydrophobicContact CD2-CD1 4.49Å; F1495-L1555 HydrophobicContact CE2-CD1 3.48Å; F1495-L1555 VanDerWaalsContact CE2-CD1 3.48Å; F1495-L1555 HydrophobicContact CZ-CD1 3.77Å; F1514-L1555 HydrophobicContact CE1-CD2 4.03Å; F1514-L1555 HydrophobicContact CZ-CD2 4.14Å; V1534-L1555 HydrophobicContact CG1-CD1 4.03Å; V1534-L1555 HydrophobicContact CG2-CD2 4.35Å; A1551-L1555 VanDerWaalsContact O-CG 3.27Å; A1551-L1555 WeakPolarHBondContact O-CG 3.46Å; A1551-L1555 PolarHBondContact O-N 3.19Å; I1552-L1555 PolarHBondContact O-N 3.38Å; I1552-L1555 VanDerWaalsContact O-N 3.08Å; L1555-N1558 CarbonylContact O-C 3.23Å; L1555-N1558 PolarHBondContact O-N 3Å; L1555-K1559 PolarHBondContact O-N 3.31Å; L1555-L1560 HydrophobicContact CB-CB 4.39Å; L1555-L1560 HydrophobicContact CD2-CB 3.82Å; L1555-L1560 HydrophobicContact CD2-CD1 3.91Å; L1555-L1560 PolarHBondContact O-N 2.84Å; L1555-A1561 HydrophobicContact CB-CB 4.02Å; L1555-A1561 PolarHBondContact O-N 3.1Å |
| 1556 | I | 83.3 | Confident | 76.6 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -50.3 | 173.9 | -66.1 | 171.5 | 0 | 0 | 0 | 110.4 | I1552 N1558 K1559 A1561 A1565 V1566 M1598 Y1602 | I1552-I1556 HydrophobicContact CG2-CD1 4Å; I1552-I1556 HydrophobicContact CG2-CG1 4.48Å; I1552-I1556 WeakPolarHBondContact O-CG1 3.32Å; I1552-I1556 PolarHBondContact O-N 3.35Å; I1556-N1558 PolarHBondContact O-N 2.7Å; I1556-K1559 PolarHBondContact O-N 3.3Å; I1556-A1561 HydrophobicContact CG1-CB 3.87Å; I1556-A1565 HydrophobicContact CD1-CB 3.95Å; I1556-A1565 HydrophobicContact CG1-CB 4.14Å; I1556-V1566 HydrophobicContact CD1-CG2 4.41Å; I1556-M1598 HydrophobicContact CD1-CE 3.96Å; I1556-Y1602 HydrophobicContact CD1-CD2 4.36Å; I1556-Y1602 HydrophobicContact CD1-CE2 4.41Å; I1556-Y1602 HydrophobicContact CG2-CD1 4.14Å; I1556-Y1602 HydrophobicContact CG2-CD2 4.35Å; I1556-Y1602 HydrophobicContact CG2-CE1 3.84Å; I1556-Y1602 HydrophobicContact CG2-CE2 4.06Å; I1556-Y1602 HydrophobicContact CG2-CG 4.39Å |
| 1557 | R | 84.6 | Confident | 77.6 | Confident | 174 Ų | 174 | 44.5 Ų | 44.5 | 66% | 0.657 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -59.8 | -28.9 | 178.9 | -72.7 | 174.7 | -165.4 | -137.9 | 9.3 | 113.7 | D1553 Y1602 | D1553-R1557 WeakPolarHBondContact O-CB 3.48Å; D1553-R1557 WeakPolarHBondContact O-CG 3.4Å; D1553-R1557 PolarHBondContact O-N 3.2Å; D1553-R1557 IonicContact OD1-CZ 3.47Å; D1553-R1557 IonicContact OD1-NE 3.18Å; D1553-R1557 PolarHBondContact OD1-NE 3.15Å; D1553-R1557 IonicContact OD1-NH2 2.66Å; D1553-R1557 PolarHBondContact OD1-NH2 2.85Å; D1553-R1557 IonicContact OD2-CZ 3.16Å; D1553-R1557 IonicContact OD2-NE 2.74Å; D1553-R1557 PolarHBondContact OD2-NE 3.15Å; D1553-R1557 IonicContact OD2-NH2 3.32Å; D1553-R1557 PolarHBondContact OD2-NH2 2.95Å; R1557-Y1602 WeakPolarHBondContact CG-OH 3.39Å |
| 1558 | N | 85.1 | Confident | 78.1 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 9.9 | 176 | -70.4 | -80.9 | 0 | 0 | 0 | 113.6 | L1515 F1554 L1555 I1556 L1560 | L1515-N1558 HydrophobicContact CD2-CB 4.12Å; F1554-N1558 WeakPolarHBondContact CD2-ND2 3.44Å; F1554-N1558 VanDerWaalsContact CE2-ND2 3.34Å; F1554-N1558 WeakPolarHBondContact CE2-ND2 3.44Å; F1554-N1558 PolarHBondContact O-N 3.29Å; F1554-N1558 VanDerWaalsContact O-N 3.13Å; F1554-N1558 PolarHBondContact O-ND2 3.29Å; L1555-N1558 CarbonylContact O-C 3.23Å; L1555-N1558 PolarHBondContact O-N 3Å; I1556-N1558 PolarHBondContact O-N 2.7Å; N1558-L1560 HydrophobicContact CB-CG 4.44Å; N1558-L1560 PolarHBondContact O-N 3.39Å |
| 1559 | K | 80.7 | Confident | 78.2 | Confident | 166 Ų | 166 | 44.3 Ų | 44.3 | 72% | 0.722 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 21.5 | -179.2 | -54.4 | -169.9 | 175.5 | -166.8 | 0 | 115.5 | Q1531 L1555 I1556 | Q1531-K1559 PolarHBondContact NE2-O 3.43Å; L1555-K1559 PolarHBondContact O-N 3.31Å; I1556-K1559 PolarHBondContact O-N 3.3Å |
| 1560 | L | 80.6 | Confident | 78 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -89.6 | -8.1 | 174.6 | -61.3 | 178 | 0 | 0 | 0 | 112.4 | F1514 L1515 I1522 A1530 V1534 L1555 N1558 | F1514-L1560 HydrophobicContact CE1-CD1 3.84Å; L1515-L1560 HydrophobicContact CD2-CD1 4.45Å; I1522-L1560 HydrophobicContact CD1-CD2 3.65Å; A1530-L1560 HydrophobicContact CB-CD2 4.2Å; V1534-L1560 WeakPolarHBondContact CB-O 3.26Å; V1534-L1560 WeakPolarHBondContact CG1-O 3.33Å; V1534-L1560 HydrophobicContact CG2-CB 4.37Å; V1534-L1560 WeakPolarHBondContact CG2-O 3.29Å; L1555-L1560 HydrophobicContact CB-CB 4.39Å; L1555-L1560 HydrophobicContact CD2-CB 3.82Å; L1555-L1560 HydrophobicContact CD2-CD1 3.91Å; L1555-L1560 PolarHBondContact O-N 2.84Å; N1558-L1560 HydrophobicContact CB-CG 4.44Å; N1558-L1560 PolarHBondContact O-N 3.39Å |
| 1561 | A | 77.3 | Confident | 77.5 | Confident | 7 Ų | 7 | 51 Ų | 51 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | trans | -135.9 | 155.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1534 L1555 I1556 A1565 | V1534-A1561 HydrophobicContact CG1-CB 3.91Å; L1555-A1561 HydrophobicContact CB-CB 4.02Å; L1555-A1561 PolarHBondContact O-N 3.1Å; I1556-A1561 HydrophobicContact CG1-CB 3.87Å; A1561-A1565 HydrophobicContact CB-CB 3.98Å | ||
| 1562 | D | 72.8 | Confident | 77 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | trans | -130 | -154.9 | -173 | 57.8 | 12.7 | 0 | 0 | 0 | 111.4 | D1564 A1565 | D1562-D1564 PolarHBondContact O-N 3.16Å; D1562-D1564 WeakPolarHBondContact OD1-CB 3.49Å; D1562-D1564 PolarHBondContact OD1-N 2.8Å; D1562-A1565 WeakPolarHBondContact O-CB 3.23Å; D1562-A1565 PolarHBondContact O-N 2.77Å | ||
| 1563 | D | 71.4 | Confident | 76.5 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 67% | 0.668 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.5 | -22 | -177.4 | -66.6 | -46 | 0 | 0 | 0 | 113.7 | A1565 V1566 A1567 | D1563-A1565 PolarHBondContact O-N 3.14Å; D1563-V1566 PolarHBondContact O-N 3.47Å; D1563-V1566 VanDerWaalsContact O-N 3.1Å; D1563-A1567 WeakPolarHBondContact O-CB 3.35Å; D1563-A1567 PolarHBondContact O-N 3.36Å |
| 1564 | D | 68 | Low | 75.7 | Confident | 84 Ų | 84 | 54.9 Ų | 54.9 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58 | -38 | 171.6 | -84.8 | -12.3 | 0 | 0 | 0 | 110.9 | D1562 F1568 | D1562-D1564 PolarHBondContact O-N 3.16Å; D1562-D1564 WeakPolarHBondContact OD1-CB 3.49Å; D1562-D1564 PolarHBondContact OD1-N 2.8Å; D1564-F1568 WeakPolarHBondContact O-CB 3.27Å; D1564-F1568 PolarHBondContact O-N 2.82Å |
| 1565 | A | 70.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.3 | -31.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1538 I1552 I1556 A1561 D1562 D1563 T1569 | L1538-A1565 HydrophobicContact CD1-CB 3.76Å; I1552-A1565 HydrophobicContact CG2-CB 4.01Å; I1556-A1565 HydrophobicContact CD1-CB 3.95Å; I1556-A1565 HydrophobicContact CG1-CB 4.14Å; A1561-A1565 HydrophobicContact CB-CB 3.98Å; D1562-A1565 WeakPolarHBondContact O-CB 3.23Å; D1562-A1565 PolarHBondContact O-N 2.77Å; D1563-A1565 PolarHBondContact O-N 3.14Å; A1565-T1569 WeakPolarHBondContact O-CB 3.05Å; A1565-T1569 PolarHBondContact O-N 3.02Å; A1565-T1569 PolarHBondContact O-OG1 3.49Å |
| 1566 | V | 73.7 | Confident | 73.6 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.1 | -44.2 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | I1556 D1563 T1569 R1570 L1599 | I1556-V1566 HydrophobicContact CD1-CG2 4.41Å; D1563-V1566 PolarHBondContact O-N 3.47Å; D1563-V1566 VanDerWaalsContact O-N 3.1Å; V1566-T1569 PolarHBondContact O-N 2.73Å; V1566-R1570 WeakPolarHBondContact O-CB 3.4Å; V1566-R1570 PolarHBondContact O-N 2.97Å; V1566-L1599 HydrophobicContact CG1-CD2 4.13Å |
| 1567 | A | 70.5 | Confident | 72.6 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1563 T1569 R1570 Q1571 | D1563-A1567 WeakPolarHBondContact O-CB 3.35Å; D1563-A1567 PolarHBondContact O-N 3.36Å; A1567-T1569 PolarHBondContact O-N 3.4Å; A1567-R1570 WeakPolarHBondContact O-CB 3.28Å; A1567-R1570 PolarHBondContact O-N 3.25Å; A1567-Q1571 WeakPolarHBondContact O-CB 3.49Å; A1567-Q1571 PolarHBondContact O-N 3.24Å |
| 1568 | F | 71.9 | Confident | 71.4 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 173.2 | -178.1 | -94.5 | 0 | 0 | 0 | 111.9 | L1547 D1564 R1570 Q1571 L1572 | L1547-F1568 HydrophobicContact CD1-CE1 3.76Å; L1547-F1568 HydrophobicContact CD1-CZ 3.57Å; L1547-F1568 HydrophobicContact CD2-CE1 3.8Å; L1547-F1568 HydrophobicContact CD2-CZ 3.99Å; L1547-F1568 HydrophobicContact CG-CE1 4.28Å; L1547-F1568 HydrophobicContact CG-CZ 4.39Å; D1564-F1568 WeakPolarHBondContact O-CB 3.27Å; D1564-F1568 PolarHBondContact O-N 2.82Å; F1568-R1570 PolarHBondContact O-N 2.88Å; F1568-Q1571 PolarHBondContact O-N 3.02Å; F1568-L1572 HydrophobicContact CD1-CD1 4.2Å; F1568-L1572 HydrophobicContact CE1-CD1 3.64Å; F1568-L1572 HydrophobicContact CZ-CD1 4.25Å; F1568-L1572 WeakPolarHBondContact O-CB 3.36Å; F1568-L1572 PolarHBondContact O-N 2.83Å |
| 1569 | T | 74 | Confident | 70.2 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 176.2 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | L1549 A1565 V1566 A1567 L1572 L1573 A1595 | L1549-T1569 HydrophobicContact CD2-CG2 4.47Å; A1565-T1569 WeakPolarHBondContact O-CB 3.05Å; A1565-T1569 PolarHBondContact O-N 3.02Å; A1565-T1569 PolarHBondContact O-OG1 3.49Å; V1566-T1569 PolarHBondContact O-N 2.73Å; A1567-T1569 PolarHBondContact O-N 3.4Å; T1569-L1572 WeakPolarHBondContact O-CB 3.29Å; T1569-L1572 PolarHBondContact O-N 2.74Å; T1569-L1573 PolarHBondContact O-N 2.9Å; T1569-A1595 HydrophobicContact CG2-CB 4.09Å |
| 1570 | R | 73.8 | Confident | 69 | Low | 121 Ų | 121 | 53.3 Ų | 53.3 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 174.6 | -166.8 | -175.9 | -69.1 | 160.9 | -2.7 | 111.5 | V1566 A1567 F1568 L1573 R1574 L1599 | V1566-R1570 WeakPolarHBondContact O-CB 3.4Å; V1566-R1570 PolarHBondContact O-N 2.97Å; A1567-R1570 WeakPolarHBondContact O-CB 3.28Å; A1567-R1570 PolarHBondContact O-N 3.25Å; F1568-R1570 PolarHBondContact O-N 2.88Å; R1570-L1573 PolarHBondContact O-N 3Å; R1570-R1574 PolarHBondContact O-N 3.32Å; R1570-L1599 HydrophobicContact CB-CD2 4.04Å; R1570-L1599 HydrophobicContact CG-CD2 4.47Å |
| 1571 | Q | 71.1 | Confident | 67.7 | Low | 81 Ų | 81 | 62.1 Ų | 62.1 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68 | -35.4 | 179.1 | -173.4 | 60.9 | 9.6 | 0 | 0 | 112.2 | A1567 F1568 L1573 R1574 L1575 | A1567-Q1571 WeakPolarHBondContact O-CB 3.49Å; A1567-Q1571 PolarHBondContact O-N 3.24Å; F1568-Q1571 PolarHBondContact O-N 3.02Å; Q1571-L1573 VanDerWaalsContact C-N 3.35Å; Q1571-L1573 PolarHBondContact O-N 2.84Å; Q1571-R1574 PolarHBondContact O-N 2.72Å; Q1571-L1575 HydrophobicContact CG-CD1 4.24Å; Q1571-L1575 WeakPolarHBondContact O-CB 3.45Å; Q1571-L1575 VanDerWaalsContact O-CG 3.3Å; Q1571-L1575 WeakPolarHBondContact O-CG 3.37Å; Q1571-L1575 PolarHBondContact O-N 3.08Å |
| 1572 | L | 70.4 | Confident | 66.6 | Low | 15 Ų | 15 | 63.6 Ų | 63.6 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 172.6 | -124.4 | 162.5 | 0 | 0 | 0 | 111.9 | L1547 F1568 T1569 Y1576 M1582 F1587 | L1547-L1572 HydrophobicContact CD1-CD1 4.16Å; F1568-L1572 HydrophobicContact CD1-CD1 4.2Å; F1568-L1572 HydrophobicContact CE1-CD1 3.64Å; F1568-L1572 HydrophobicContact CZ-CD1 4.25Å; F1568-L1572 WeakPolarHBondContact O-CB 3.36Å; F1568-L1572 PolarHBondContact O-N 2.83Å; T1569-L1572 WeakPolarHBondContact O-CB 3.29Å; T1569-L1572 PolarHBondContact O-N 2.74Å; L1572-Y1576 PolarHBondContact O-N 3.32Å; L1572-M1582 HydrophobicContact CD2-CE 3.5Å; L1572-M1582 VanDerWaalsContact CD2-CE 3.5Å; L1572-M1582 HydrophobicContact CD2-SD 3.57Å; L1572-M1582 VanDerWaalsContact CD2-SD 3.57Å; L1572-M1582 HydrophobicContact CG-CE 4.18Å; L1572-F1587 HydrophobicContact CD2-CE2 3.75Å; L1572-F1587 HydrophobicContact CD2-CZ 3.95Å |
| 1573 | L | 71.8 | Confident | 65.5 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.5 | -37.4 | 175.7 | -77.2 | 164.9 | 0 | 0 | 0 | 112.3 | T1569 R1570 Q1571 L1575 Y1576 L1577 F1587 W1592 A1595 L1599 | T1569-L1573 PolarHBondContact O-N 2.9Å; R1570-L1573 PolarHBondContact O-N 3Å; Q1571-L1573 VanDerWaalsContact C-N 3.35Å; Q1571-L1573 PolarHBondContact O-N 2.84Å; L1573-L1575 PolarHBondContact O-N 2.76Å; L1573-Y1576 PolarHBondContact O-N 3.23Å; L1573-L1577 HydrophobicContact CB-CD1 4.23Å; L1573-L1577 HydrophobicContact CD2-CD1 4.32Å; L1573-L1577 WeakPolarHBondContact O-CB 3.43Å; L1573-L1577 WeakPolarHBondContact O-CD1 3.36Å; L1573-L1577 VanDerWaalsContact O-CG 3.25Å; L1573-L1577 WeakPolarHBondContact O-CG 3.12Å; L1573-L1577 PolarHBondContact O-N 3.05Å; L1573-F1587 HydrophobicContact CD2-CE1 4.48Å; L1573-F1587 HydrophobicContact CD2-CE2 4.41Å; L1573-F1587 HydrophobicContact CD2-CZ 4.1Å; L1573-F1587 HydrophobicContact CG-CZ 4.32Å; L1573-W1592 HydrophobicContact CD2-CE3 3.8Å; L1573-W1592 HydrophobicContact CD2-CH2 4.08Å; L1573-W1592 HydrophobicContact CD2-CZ3 3.37Å; L1573-A1595 HydrophobicContact CD1-CB 3.99Å; L1573-L1599 HydrophobicContact CD1-CD1 3.48Å; L1573-L1599 VanDerWaalsContact CD1-CD1 3.48Å; L1573-L1599 HydrophobicContact CD1-CG 4.34Å |
| 1574 | R | 65.2 | Low | 64.7 | Low | 83 Ų | 83 | 60.1 Ų | 60.1 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 173.4 | -157.9 | -176.8 | -162.9 | -157.3 | 3.9 | 111.9 | R1570 Q1571 Y1576 L1577 V1578 E1579 D1614 | R1570-R1574 PolarHBondContact O-N 3.32Å; Q1571-R1574 PolarHBondContact O-N 2.72Å; R1574-Y1576 VanDerWaalsContact C-N 3.32Å; R1574-Y1576 PolarHBondContact O-N 3.49Å; R1574-L1577 PolarHBondContact O-N 3.39Å; R1574-V1578 HydrophobicContact CG-CB 4.18Å; R1574-V1578 HydrophobicContact CG-CG2 3.98Å; R1574-V1578 WeakPolarHBondContact O-CB 3.38Å; R1574-V1578 PolarHBondContact O-N 3.24Å; R1574-E1579 PolarHBondContact O-N 3.04Å; R1574-E1579 VanDerWaalsContact O-N 3.16Å; R1574-D1614 IonicContact CZ-OD1 2.75Å; R1574-D1614 IonicContact CZ-OD2 2.68Å; R1574-D1614 IonicContact NE-OD1 2.66Å; R1574-D1614 PolarHBondContact NE-OD1 2.84Å; R1574-D1614 IonicContact NE-OD2 3.67Å; R1574-D1614 IonicContact NH2-OD1 3.8Å; R1574-D1614 PolarHBondContact NH2-OD1 2.59Å; R1574-D1614 IonicContact NH2-OD2 2.9Å; R1574-D1614 PolarHBondContact NH2-OD2 2.94Å |
| 1575 | L | 64.2 | Low | 64.2 | Low | 42 Ų | 42 | 63.2 Ų | 63.2 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -31.8 | 176.3 | -76.3 | 165 | 0 | 0 | 0 | 113.5 | Q1571 L1573 E1579 K1580 R1581 M1582 | Q1571-L1575 HydrophobicContact CG-CD1 4.24Å; Q1571-L1575 WeakPolarHBondContact O-CB 3.45Å; Q1571-L1575 VanDerWaalsContact O-CG 3.3Å; Q1571-L1575 WeakPolarHBondContact O-CG 3.37Å; Q1571-L1575 PolarHBondContact O-N 3.08Å; L1573-L1575 PolarHBondContact O-N 2.76Å; L1575-E1579 WeakPolarHBondContact CD2-OE2 3.36Å; L1575-K1580 PolarHBondContact O-N 2.92Å; L1575-R1581 HydrophobicContact CD2-CB 4.37Å; L1575-R1581 PolarHBondContact O-N 3.45Å; L1575-M1582 HydrophobicContact CB-CG 4.3Å; L1575-M1582 HydrophobicContact CD1-CE 4.32Å; L1575-M1582 PolarHBondContact O-N 3.42Å |
| 1576 | Y | 65.3 | Low | 63.7 | Low | 27 Ų | 27 | 66 Ų | 66 | 11% | 0.106 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79 | -44.2 | 176.2 | -171 | -91.3 | 0 | 0 | 0 | 112.2 | L1572 L1573 R1574 M1582 A1584 F1587 W1592 | L1572-Y1576 PolarHBondContact O-N 3.32Å; L1573-Y1576 PolarHBondContact O-N 3.23Å; R1574-Y1576 VanDerWaalsContact C-N 3.32Å; R1574-Y1576 PolarHBondContact O-N 3.49Å; Y1576-M1582 HydrophobicContact CD2-CB 3.93Å; Y1576-A1584 PolarHBondContact OH-O 2.88Å; Y1576-F1587 AromaticContact CD2-CD2 3.85Å; Y1576-F1587 HydrophobicContact CD2-CD2 3.85Å; Y1576-F1587 HydrophobicContact CD2-CE2 4.47Å; Y1576-F1587 HydrophobicContact CE2-CD2 4.21Å; Y1576-F1587 HydrophobicContact CG-CD2 4.18Å; Y1576-W1592 HydrophobicContact CD1-CZ3 4.11Å; Y1576-W1592 HydrophobicContact CE1-CZ3 4.3Å |
| 1577 | L | 62.6 | Low | 63.1 | Low | 31 Ų | 31 | 66 Ų | 66 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -92.8 | -52.7 | -168 | -61.9 | 163 | 0 | 0 | 0 | 113.9 | L1573 R1574 W1592 L1621 M1624 | L1573-L1577 HydrophobicContact CB-CD1 4.23Å; L1573-L1577 HydrophobicContact CD2-CD1 4.32Å; L1573-L1577 WeakPolarHBondContact O-CB 3.43Å; L1573-L1577 WeakPolarHBondContact O-CD1 3.36Å; L1573-L1577 VanDerWaalsContact O-CG 3.25Å; L1573-L1577 WeakPolarHBondContact O-CG 3.12Å; L1573-L1577 PolarHBondContact O-N 3.05Å; R1574-L1577 PolarHBondContact O-N 3.39Å; L1577-W1592 HydrophobicContact CD1-CH2 3.7Å; L1577-W1592 HydrophobicContact CD1-CZ3 4.09Å; L1577-W1592 HydrophobicContact CD2-CH2 3.41Å; L1577-W1592 VanDerWaalsContact CD2-CH2 3.41Å; L1577-W1592 HydrophobicContact CD2-CZ3 3.73Å; L1577-W1592 HydrophobicContact CG-CH2 4Å; L1577-W1592 HydrophobicContact CG-CZ3 4.14Å; L1577-L1621 HydrophobicContact CD1-CD2 3.6Å; L1577-L1621 HydrophobicContact CD1-CG 4.18Å; L1577-M1624 HydrophobicContact CD2-CE 3.65Å |
| 1578 | V | 59.4 | Low | 62.8 | Low | 84 Ų | 84 | 66.3 Ų | 66.3 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -53.7 | -171.9 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | R1574 L1617 | R1574-V1578 HydrophobicContact CG-CB 4.18Å; R1574-V1578 HydrophobicContact CG-CG2 3.98Å; R1574-V1578 WeakPolarHBondContact O-CB 3.38Å; R1574-V1578 PolarHBondContact O-N 3.24Å; V1578-L1617 HydrophobicContact CG2-CD1 3.5Å |
| 1579 | E | 58.8 | Low | 62.5 | Low | 59 Ų | 59 | 67.9 Ų | 67.9 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -82.9 | -16.3 | -175.4 | -57 | -177.8 | -146.5 | 0 | 0 | 112.9 | R1574 L1575 R1581 | R1574-E1579 PolarHBondContact O-N 3.04Å; R1574-E1579 VanDerWaalsContact O-N 3.16Å; L1575-E1579 WeakPolarHBondContact CD2-OE2 3.36Å; E1579-R1581 HydrophobicContact CB-CB 4.35Å; E1579-R1581 HydrophobicContact CB-CG 3.96Å; E1579-R1581 PolarHBondContact O-N 3.24Å; E1579-R1581 VanDerWaalsContact OE2-CD 3.29Å; E1579-R1581 WeakPolarHBondContact OE2-CD 3.34Å; E1579-R1581 IonicContact OE2-CZ 3.37Å; E1579-R1581 IonicContact OE2-NE 3.61Å; E1579-R1581 IonicContact OE2-NH1 2.7Å; E1579-R1581 PolarHBondContact OE2-NH1 3.48Å |
| 1580 | K | 55.9 | Low | 62.2 | Low | 172 Ų | 172 | 71.2 Ų | 71.2 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | trans | 50.1 | 28.2 | -176.7 | -61 | 176.9 | -178.8 | 171.6 | 0 | 113.4 | L1575 | L1575-K1580 PolarHBondContact O-N 2.92Š| ||
| 1581 | R | 52.8 | Low | 62 | Low | 192 Ų | 192 | 68 Ų | 68 | 73% | 0.725 | 35% | 0.345 | S | S | * | . | trans | -83 | -23.5 | -175.6 | -79.1 | -179.4 | 177 | 163.2 | -9.8 | 112.9 | L1575 E1579 | L1575-R1581 HydrophobicContact CD2-CB 4.37Å; L1575-R1581 PolarHBondContact O-N 3.45Å; E1579-R1581 HydrophobicContact CB-CB 4.35Å; E1579-R1581 HydrophobicContact CB-CG 3.96Å; E1579-R1581 PolarHBondContact O-N 3.24Å; E1579-R1581 VanDerWaalsContact OE2-CD 3.29Å; E1579-R1581 WeakPolarHBondContact OE2-CD 3.34Å; E1579-R1581 IonicContact OE2-CZ 3.37Å; E1579-R1581 IonicContact OE2-NE 3.61Å; E1579-R1581 IonicContact OE2-NH1 2.7Å; E1579-R1581 PolarHBondContact OE2-NH1 3.48Å | ||
| 1582 | M | 55 | Low | 62 | Low | 39 Ų | 39 | 65.6 Ų | 65.6 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -87.7 | 137.5 | 170.5 | -66.7 | -147.1 | 176.9 | 0 | 0 | 111.5 | L1572 L1575 Y1576 F1586 | L1572-M1582 HydrophobicContact CD2-CE 3.5Å; L1572-M1582 VanDerWaalsContact CD2-CE 3.5Å; L1572-M1582 HydrophobicContact CD2-SD 3.57Å; L1572-M1582 VanDerWaalsContact CD2-SD 3.57Å; L1572-M1582 HydrophobicContact CG-CE 4.18Å; L1575-M1582 HydrophobicContact CB-CG 4.3Å; L1575-M1582 HydrophobicContact CD1-CE 4.32Å; L1575-M1582 PolarHBondContact O-N 3.42Å; Y1576-M1582 HydrophobicContact CD2-CB 3.93Å; M1582-F1586 HydrophobicContact CB-CB 4.43Å; M1582-F1586 HydrophobicContact SD-CB 4.31Å; M1582-F1586 HydrophobicContact SD-CD1 3.81Å; M1582-F1586 HydrophobicContact SD-CE1 4.3Å; M1582-F1586 HydrophobicContact SD-CG 3.97Å |
| 1583 | P | 49.5 | Very low | 62.1 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 40% | 0.403 | 36% | 0.356 | S | S | . | . | trans | -70.2 | 148.5 | 175.4 | 30.6 | -34.6 | 0 | 0 | 0 | 110.8 | N1585 F1586 | P1583-N1585 PolarHBondContact O-N 3.32Å; P1583-F1586 HydrophobicContact CG-CD2 4.11Å; P1583-F1586 WeakPolarHBondContact O-CB 3.47Å; P1583-F1586 PolarHBondContact O-N 3.16Å | ||
| 1584 | A | 55 | Low | 62.3 | Low | 57 Ų | 57 | 71.5 Ų | 71.5 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -51.4 | -28.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1576 F1586 | Y1576-A1584 PolarHBondContact OH-O 2.88Å; A1584-F1586 PolarHBondContact O-N 3.48Å |
| 1585 | N | 57 | Low | 62.8 | Low | 150 Ų | 150 | 67.5 Ų | 67.5 | 80% | 0.802 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -70.2 | -2.9 | 179.7 | -41.1 | 71.9 | 0 | 0 | 0 | 115.1 | P1583 | P1583-N1585 PolarHBondContact O-N 3.32Š|
| 1586 | F | 59 | Low | 63.3 | Low | 58 Ų | 58 | 66.8 Ų | 66.8 | 25% | 0.254 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -82.2 | -25.1 | -170.3 | -131.8 | -86.7 | 0 | 0 | 0 | 114.6 | N1543 M1582 P1583 A1584 | N1543-F1586 VanDerWaalsContact O-CZ 3.24Å; N1543-F1586 WeakPolarHBondContact O-CZ 3.45Å; M1582-F1586 HydrophobicContact CB-CB 4.43Å; M1582-F1586 HydrophobicContact SD-CB 4.31Å; M1582-F1586 HydrophobicContact SD-CD1 3.81Å; M1582-F1586 HydrophobicContact SD-CE1 4.3Å; M1582-F1586 HydrophobicContact SD-CG 3.97Å; P1583-F1586 HydrophobicContact CG-CD2 4.11Å; P1583-F1586 WeakPolarHBondContact O-CB 3.47Å; P1583-F1586 PolarHBondContact O-N 3.16Å; A1584-F1586 PolarHBondContact O-N 3.48Å |
| 1587 | F | 60.9 | Low | 63.9 | Low | 11 Ų | 11 | 68.2 Ų | 68.2 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -116.5 | 126.5 | 171 | -82 | -90.8 | 0 | 0 | 0 | 108.8 | L1549 L1572 L1573 Y1576 D1591 A1595 | L1549-F1587 HydrophobicContact CD1-CE1 4.06Å; L1572-F1587 HydrophobicContact CD2-CE2 3.75Å; L1572-F1587 HydrophobicContact CD2-CZ 3.95Å; L1573-F1587 HydrophobicContact CD2-CE1 4.48Å; L1573-F1587 HydrophobicContact CD2-CE2 4.41Å; L1573-F1587 HydrophobicContact CD2-CZ 4.1Å; L1573-F1587 HydrophobicContact CG-CZ 4.32Å; Y1576-F1587 AromaticContact CD2-CD2 3.85Å; Y1576-F1587 HydrophobicContact CD2-CD2 3.85Å; Y1576-F1587 HydrophobicContact CD2-CE2 4.47Å; Y1576-F1587 HydrophobicContact CE2-CD2 4.21Å; Y1576-F1587 HydrophobicContact CG-CD2 4.18Å; F1587-D1591 HydrophobicContact CB-CB 4.4Å; F1587-D1591 HydrophobicContact CD1-CB 3.66Å; F1587-D1591 HydrophobicContact CE1-CB 4.46Å; F1587-D1591 HydrophobicContact CG-CB 4.45Å; F1587-A1595 HydrophobicContact CE1-CB 3.73Å; F1587-A1595 HydrophobicContact CZ-CB 4.4Å |
| 1588 | S | 64.8 | Low | 64.5 | Low | 53 Ų | 53 | 67.2 Ų | 67.2 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | trans | -74.4 | 168.8 | 159.9 | 74.9 | 0 | 0 | 0 | 0 | 110.3 | S1590 D1591 W1592 | S1588-S1590 PolarHBondContact O-N 2.78Å; S1588-S1590 PolarHBondContact OG-N 3.47Å; S1588-D1591 WeakPolarHBondContact CA-OD2 3.34Å; S1588-D1591 WeakPolarHBondContact CB-OD2 3.47Å; S1588-D1591 PolarHBondContact N-OD2 2.95Å; S1588-D1591 PolarHBondContact O-N 3.01Å; S1588-D1591 VanDerWaalsContact OG-CG 3.22Å; S1588-D1591 PolarHBondContact OG-N 3.41Å; S1588-D1591 PolarHBondContact OG-OD2 3.31Å; S1588-W1592 WeakPolarHBondContact O-CB 3.45Å; S1588-W1592 PolarHBondContact O-N 3.16Å | ||
| 1589 | H | 65.3 | Low | 65.2 | Low | 85 Ų | 85 | 63.6 Ų | 63.6 | 39% | 0.394 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -30.7 | 171.3 | -171.6 | -63.7 | 0 | 0 | 0 | 112.2 | M1593 | H1589-M1593 WeakPolarHBondContact O-CB 3.33Å; H1589-M1593 WeakPolarHBondContact O-CG 3.25Å; H1589-M1593 PolarHBondContact O-N 2.79Å; H1589-M1593 VanDerWaalsContact O-N 3.13Å |
| 1590 | S | 68.7 | Low | 65.9 | Low | 74 Ų | 74 | 66.6 Ų | 66.6 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.6 | -49.3 | 175.3 | -166 | 0 | 0 | 0 | 0 | 111.1 | S1588 W1592 M1593 Q1594 | S1588-S1590 PolarHBondContact O-N 2.78Å; S1588-S1590 PolarHBondContact OG-N 3.47Å; S1590-W1592 VanDerWaalsContact C-N 3.28Å; S1590-W1592 PolarHBondContact O-N 3.34Å; S1590-M1593 PolarHBondContact O-N 2.9Å; S1590-Q1594 VanDerWaalsContact O-CB 3.3Å; S1590-Q1594 WeakPolarHBondContact O-CB 3.31Å; S1590-Q1594 PolarHBondContact O-N 3.27Å |
| 1591 | D | 69.2 | Low | 66.8 | Low | 52 Ų | 52 | 62.7 Ų | 62.7 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 179.1 | -54.4 | -55.7 | 0 | 0 | 0 | 111.1 | L1549 F1587 S1588 Q1594 A1595 | L1549-D1591 HydrophobicContact CD1-CB 3.75Å; L1549-D1591 VanDerWaalsContact CD1-O 3.25Å; L1549-D1591 WeakPolarHBondContact CD1-O 3.48Å; F1587-D1591 HydrophobicContact CB-CB 4.4Å; F1587-D1591 HydrophobicContact CD1-CB 3.66Å; F1587-D1591 HydrophobicContact CE1-CB 4.46Å; F1587-D1591 HydrophobicContact CG-CB 4.45Å; S1588-D1591 WeakPolarHBondContact CA-OD2 3.34Å; S1588-D1591 WeakPolarHBondContact CB-OD2 3.47Å; S1588-D1591 PolarHBondContact N-OD2 2.95Å; S1588-D1591 PolarHBondContact O-N 3.01Å; S1588-D1591 VanDerWaalsContact OG-CG 3.22Å; S1588-D1591 PolarHBondContact OG-N 3.41Å; S1588-D1591 PolarHBondContact OG-OD2 3.31Å; D1591-Q1594 PolarHBondContact O-N 3.42Å; D1591-A1595 WeakPolarHBondContact O-CB 3.38Å; D1591-A1595 PolarHBondContact O-N 3.39Å |
| 1592 | W | 70.4 | Confident | 67.9 | Low | 32 Ų | 32 | 56.6 Ų | 56.6 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -53.7 | 177 | 175.5 | -95.6 | 0 | 0 | 0 | 111.6 | L1573 Y1576 L1577 S1588 S1590 Q1594 A1595 V1596 L1621 | L1573-W1592 HydrophobicContact CD2-CE3 3.8Å; L1573-W1592 HydrophobicContact CD2-CH2 4.08Å; L1573-W1592 HydrophobicContact CD2-CZ3 3.37Å; Y1576-W1592 HydrophobicContact CD1-CZ3 4.11Å; Y1576-W1592 HydrophobicContact CE1-CZ3 4.3Å; L1577-W1592 HydrophobicContact CD1-CH2 3.7Å; L1577-W1592 HydrophobicContact CD1-CZ3 4.09Å; L1577-W1592 HydrophobicContact CD2-CH2 3.41Å; L1577-W1592 VanDerWaalsContact CD2-CH2 3.41Å; L1577-W1592 HydrophobicContact CD2-CZ3 3.73Å; L1577-W1592 HydrophobicContact CG-CH2 4Å; L1577-W1592 HydrophobicContact CG-CZ3 4.14Å; S1588-W1592 WeakPolarHBondContact O-CB 3.45Å; S1588-W1592 PolarHBondContact O-N 3.16Å; S1590-W1592 VanDerWaalsContact C-N 3.28Å; S1590-W1592 PolarHBondContact O-N 3.34Å; W1592-Q1594 PolarHBondContact O-N 3.31Å; W1592-A1595 PolarHBondContact O-N 3.41Å; W1592-V1596 HydrophobicContact CD2-CG2 4.47Å; W1592-V1596 HydrophobicContact CZ2-CG2 4.2Å; W1592-V1596 WeakPolarHBondContact O-CB 3.38Å; W1592-V1596 WeakPolarHBondContact O-CG2 3.45Å; W1592-V1596 PolarHBondContact O-N 2.85Å; W1592-L1621 HydrophobicContact CH2-CD2 3.56Å; W1592-L1621 HydrophobicContact CZ2-CD2 3.71Å |
| 1593 | M | 73.1 | Confident | 68.1 | Low | 114 Ų | 114 | 55.5 Ų | 55.5 | 56% | 0.562 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.1 | -37.7 | 175.4 | -71.3 | -77.3 | -74.2 | 0 | 0 | 111.4 | H1589 S1590 S1597 | H1589-M1593 WeakPolarHBondContact O-CB 3.33Å; H1589-M1593 WeakPolarHBondContact O-CG 3.25Å; H1589-M1593 PolarHBondContact O-N 2.79Å; H1589-M1593 VanDerWaalsContact O-N 3.13Å; S1590-M1593 PolarHBondContact O-N 2.9Å; M1593-S1597 WeakPolarHBondContact O-CB 3.39Å; M1593-S1597 PolarHBondContact O-N 2.91Å |
| 1594 | Q | 76.4 | Confident | 68.2 | Low | 24 Ų | 24 | 58.3 Ų | 58.3 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.5 | -43 | -178.9 | -170.5 | 167.6 | 5.7 | 0 | 0 | 113 | L1549 H1550 S1590 D1591 W1592 S1597 M1598 | L1549-Q1594 HydrophobicContact CB-CG 4.1Å; H1550-Q1594 PolarHBondContact CD2-OE1 3.44Å; H1550-Q1594 PolarHBondContact CE1-NE2 2.94Å; H1550-Q1594 VanDerWaalsContact CG-NE2 3.31Å; H1550-Q1594 PolarHBondContact ND1-NE2 3.19Å; H1550-Q1594 VanDerWaalsContact ND1-NE2 3.11Å; H1550-Q1594 PolarHBondContact NE2-OE1 2.81Å; S1590-Q1594 VanDerWaalsContact O-CB 3.3Å; S1590-Q1594 WeakPolarHBondContact O-CB 3.31Å; S1590-Q1594 PolarHBondContact O-N 3.27Å; D1591-Q1594 PolarHBondContact O-N 3.42Å; W1592-Q1594 PolarHBondContact O-N 3.31Å; Q1594-S1597 WeakPolarHBondContact O-CB 3.5Å; Q1594-S1597 PolarHBondContact O-N 3.21Å; Q1594-M1598 HydrophobicContact CG-SD 4.45Å; Q1594-M1598 VanDerWaalsContact O-CG 3.31Å; Q1594-M1598 WeakPolarHBondContact O-CG 3.39Å; Q1594-M1598 PolarHBondContact O-N 2.99Å |
| 1595 | A | 75.2 | Confident | 67.8 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1549 T1569 L1573 F1587 D1591 W1592 M1598 L1599 | L1549-A1595 HydrophobicContact CD1-CB 4.03Å; L1549-A1595 HydrophobicContact CD2-CB 4.12Å; T1569-A1595 HydrophobicContact CG2-CB 4.09Å; L1573-A1595 HydrophobicContact CD1-CB 3.99Å; F1587-A1595 HydrophobicContact CE1-CB 3.73Å; F1587-A1595 HydrophobicContact CZ-CB 4.4Å; D1591-A1595 WeakPolarHBondContact O-CB 3.38Å; D1591-A1595 PolarHBondContact O-N 3.39Å; W1592-A1595 PolarHBondContact O-N 3.41Å; A1595-M1598 PolarHBondContact O-N 3.42Å; A1595-L1599 PolarHBondContact O-N 3.2Å |
| 1596 | V | 75.5 | Confident | 66.6 | Low | 26 Ų | 26 | 60 Ų | 60 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 170.3 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | W1592 M1598 L1599 Q1600 L1621 | W1592-V1596 HydrophobicContact CD2-CG2 4.47Å; W1592-V1596 HydrophobicContact CZ2-CG2 4.2Å; W1592-V1596 WeakPolarHBondContact O-CB 3.38Å; W1592-V1596 WeakPolarHBondContact O-CG2 3.45Å; W1592-V1596 PolarHBondContact O-N 2.85Å; V1596-M1598 PolarHBondContact O-N 3.26Å; V1596-L1599 PolarHBondContact O-N 2.99Å; V1596-Q1600 HydrophobicContact CG1-CG 4.49Å; V1596-Q1600 WeakPolarHBondContact O-CB 3.33Å; V1596-Q1600 WeakPolarHBondContact O-CG 3.18Å; V1596-Q1600 PolarHBondContact O-N 3.4Å; V1596-L1621 HydrophobicContact CG2-CD2 4.3Å |
| 1597 | S | 76.4 | Confident | 65.5 | Low | 58 Ų | 58 | 66.3 Ų | 66.3 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.2 | -176.4 | 0 | 0 | 0 | 0 | 112.8 | M1593 Q1594 Q1600 T1601 | M1593-S1597 WeakPolarHBondContact O-CB 3.39Å; M1593-S1597 PolarHBondContact O-N 2.91Å; Q1594-S1597 WeakPolarHBondContact O-CB 3.5Å; Q1594-S1597 PolarHBondContact O-N 3.21Å; S1597-Q1600 PolarHBondContact O-N 2.83Å; S1597-T1601 VanDerWaalsContact O-CB 3.31Å; S1597-T1601 WeakPolarHBondContact O-CB 3.05Å; S1597-T1601 PolarHBondContact O-N 3.46Å; S1597-T1601 PolarHBondContact O-OG1 3.47Å |
| 1598 | M | 76.4 | Confident | 64.5 | Low | 9 Ų | 9 | 70 Ų | 70 | 4% | 0.044 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174 | -73.2 | 173.3 | 69.9 | 0 | 0 | 111.6 | L1549 I1552 D1553 I1556 Q1594 A1595 V1596 Q1600 T1601 Y1602 | L1549-M1598 HydrophobicContact CB-SD 4.23Å; L1549-M1598 HydrophobicContact CD2-SD 3.9Å; I1552-M1598 HydrophobicContact CB-CE 4.06Å; I1552-M1598 HydrophobicContact CG2-CE 3.73Å; D1553-M1598 HydrophobicContact CB-CE 4.12Å; D1553-M1598 HydrophobicContact CB-CG 4.42Å; D1553-M1598 HydrophobicContact CB-SD 4.02Å; I1556-M1598 HydrophobicContact CD1-CE 3.96Å; Q1594-M1598 HydrophobicContact CG-SD 4.45Å; Q1594-M1598 VanDerWaalsContact O-CG 3.31Å; Q1594-M1598 WeakPolarHBondContact O-CG 3.39Å; Q1594-M1598 PolarHBondContact O-N 2.99Å; A1595-M1598 PolarHBondContact O-N 3.42Å; V1596-M1598 PolarHBondContact O-N 3.26Å; M1598-Q1600 VanDerWaalsContact C-N 3.34Å; M1598-Q1600 PolarHBondContact O-N 3.44Å; M1598-T1601 PolarHBondContact O-N 2.95Å; M1598-Y1602 HydrophobicContact CB-CD2 4.21Å; M1598-Y1602 HydrophobicContact CB-CE2 4.45Å; M1598-Y1602 HydrophobicContact CG-CE2 4.29Å; M1598-Y1602 VanDerWaalsContact O-CD2 3.3Å; M1598-Y1602 WeakPolarHBondContact O-CD2 3.01Å; M1598-Y1602 PolarHBondContact O-N 3.28Å |
| 1599 | L | 73.3 | Confident | 62.9 | Low | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 173.8 | -75.5 | -178.1 | 0 | 0 | 0 | 112.9 | V1566 R1570 L1573 A1595 V1596 G1603 | V1566-L1599 HydrophobicContact CG1-CD2 4.13Å; R1570-L1599 HydrophobicContact CB-CD2 4.04Å; R1570-L1599 HydrophobicContact CG-CD2 4.47Å; L1573-L1599 HydrophobicContact CD1-CD1 3.48Å; L1573-L1599 VanDerWaalsContact CD1-CD1 3.48Å; L1573-L1599 HydrophobicContact CD1-CG 4.34Å; A1595-L1599 PolarHBondContact O-N 3.2Å; V1596-L1599 PolarHBondContact O-N 2.99Å; L1599-G1603 WeakPolarHBondContact O-CA 3.49Å; L1599-G1603 PolarHBondContact O-N 2.99Å |
| 1600 | Q | 73.6 | Confident | 61.3 | Low | 121 Ų | 121 | 75.8 Ų | 75.8 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.8 | -30.1 | 173.9 | -73.4 | 175.5 | -1.9 | 0 | 0 | 112.9 | V1596 S1597 M1598 | V1596-Q1600 HydrophobicContact CG1-CG 4.49Å; V1596-Q1600 WeakPolarHBondContact O-CB 3.33Å; V1596-Q1600 WeakPolarHBondContact O-CG 3.18Å; V1596-Q1600 PolarHBondContact O-N 3.4Å; S1597-Q1600 PolarHBondContact O-N 2.83Å; M1598-Q1600 VanDerWaalsContact C-N 3.34Å; M1598-Q1600 PolarHBondContact O-N 3.44Å |
| 1601 | T | 75.4 | Confident | 59.6 | Low | 91 Ų | 91 | 76.9 Ų | 76.9 | 56% | 0.558 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -87 | -33.4 | -177.5 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | S1597 M1598 | S1597-T1601 VanDerWaalsContact O-CB 3.31Å; S1597-T1601 WeakPolarHBondContact O-CB 3.05Å; S1597-T1601 PolarHBondContact O-N 3.46Å; S1597-T1601 PolarHBondContact O-OG1 3.47Å; M1598-T1601 PolarHBondContact O-N 2.95Å |
| 1602 | Y | 75.4 | Confident | 57.8 | Low | 63 Ų | 63 | 81.6 Ų | 81.6 | 25% | 0.247 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -125.6 | -1.9 | -170.8 | -48.2 | -62.7 | 0 | 0 | 0 | 114.6 | D1553 I1556 R1557 M1598 | D1553-Y1602 PolarHBondContact OD1-OH 2.92Å; I1556-Y1602 HydrophobicContact CD1-CD2 4.36Å; I1556-Y1602 HydrophobicContact CD1-CE2 4.41Å; I1556-Y1602 HydrophobicContact CG2-CD1 4.14Å; I1556-Y1602 HydrophobicContact CG2-CD2 4.35Å; I1556-Y1602 HydrophobicContact CG2-CE1 3.84Å; I1556-Y1602 HydrophobicContact CG2-CE2 4.06Å; I1556-Y1602 HydrophobicContact CG2-CG 4.39Å; R1557-Y1602 WeakPolarHBondContact CG-OH 3.39Å; M1598-Y1602 HydrophobicContact CB-CD2 4.21Å; M1598-Y1602 HydrophobicContact CB-CE2 4.45Å; M1598-Y1602 HydrophobicContact CG-CE2 4.29Å; M1598-Y1602 VanDerWaalsContact O-CD2 3.3Å; M1598-Y1602 WeakPolarHBondContact O-CD2 3.01Å; M1598-Y1602 PolarHBondContact O-N 3.28Å |
| 1603 | G | 60.2 | Low | 56.3 | Low | 16 Ų | 16 | 90.7 Ų | 90.7 | 17% | 0.165 | 49% | 0.488 | C | S | . | . | trans | -107.3 | 22.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 118 | L1599 | L1599-G1603 WeakPolarHBondContact O-CA 3.49Å; L1599-G1603 PolarHBondContact O-N 2.99Å | ||
| 1604 | L | 51.1 | Low | 54.9 | Low | 121 Ų | 121 | 89 Ų | 89 | 63% | 0.634 | 48% | 0.48 | S | S | * | . | trans | -136.8 | 150.9 | -173.6 | -69.1 | 166.1 | 0 | 0 | 0 | 111.5 | ||||
| 1605 | P | 45.7 | Very low | 53.4 | Low | 109 Ų | 109 | 90.1 Ų | 90.1 | 71% | 0.708 | 50% | 0.499 | S | S | * | . | -130.5 | -176.7 | -52.2 | 39.7 | -25 | 0 | 0 | 0 | 111.2 | |||||
| 1606 | D | 33.1 | Very low | 52.2 | Low | 135 Ų | 135 | 93.6 Ų | 93.6 | 72% | 0.722 | 52% | 0.523 | S | S | * | . | trans | -135.2 | 132.2 | 156.2 | -166.5 | -29.1 | 0 | 0 | 0 | 107.8 | S1608 | D1606-S1608 PolarHBondContact OD1-N 3.11Å; D1606-S1608 PolarHBondContact OD1-OG 3.05Å | ||
| 1607 | E | 34.6 | Very low | 51.1 | Low | 190 Ų | 190 | 93.6 Ų | 93.6 | 89% | 0.888 | 52% | 0.522 | S | S | * | . | trans | -91.3 | 2.6 | -167.7 | -64.3 | -167.6 | 131 | 0 | 0 | 113.8 | N1609 | E1607-N1609 PolarHBondContact O-N 2.9Š| ||
| 1608 | S | 40.7 | Very low | 50 | Low | 88 Ų | 88 | 93.8 Ų | 93.8 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -84.5 | -4.9 | -161.7 | 49.9 | 0 | 0 | 0 | 0 | 117.2 | D1606 | D1606-S1608 PolarHBondContact OD1-N 3.11Å; D1606-S1608 PolarHBondContact OD1-OG 3.05Å |
| 1609 | N | 31.4 | Very low | 49 | Very low | 138 Ų | 138 | 98 Ų | 98 | 74% | 0.738 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -136.4 | 127.4 | 179.3 | -101.1 | -40.1 | 0 | 0 | 0 | 112.9 | E1607 | E1607-N1609 PolarHBondContact O-N 2.9Š|
| 1610 | P | 32.2 | Very low | 48.1 | Very low | 122 Ų | 122 | 100.5 Ų | 100.5 | 79% | 0.792 | 55% | 0.553 | S | S | * | * | trans | -71.3 | 126 | 175.9 | 29 | -32.9 | 0 | 0 | 0 | 110.9 | ||||
| 1611 | P | 31.6 | Very low | 47.3 | Very low | 97 Ų | 97 | 95.9 Ų | 95.9 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | trans | -88.9 | 132.8 | -168 | 32.8 | -34.9 | 0 | 0 | 0 | 113.6 | R1613 | P1611-R1613 PolarHBondContact O-N 3.09Š| ||
| 1612 | D | 33.1 | Very low | 46.3 | Very low | 150 Ų | 150 | 99.1 Ų | 99.1 | 80% | 0.802 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -73 | 108.9 | 167.7 | -129.5 | -36 | 0 | 0 | 0 | 110.2 | D1614 | D1612-D1614 PolarHBondContact O-N 3.16Š|
| 1613 | R | 38 | Very low | 45.4 | Very low | 224 Ų | 224 | 102.9 Ų | 102.9 | 85% | 0.845 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 59.7 | -31.1 | 173.3 | -64.2 | -177.1 | 169.4 | -168.9 | -4.7 | 120 | P1611 G1615 S1616 | P1611-R1613 PolarHBondContact O-N 3.09Å; R1613-G1615 PolarHBondContact O-N 2.76Å; R1613-G1615 VanDerWaalsContact O-N 3.15Å; R1613-S1616 PolarHBondContact O-N 2.85Å; R1613-S1616 PolarHBondContact O-OG 3.42Å |
| 1614 | D | 42.9 | Very low | 44.8 | Very low | 77 Ų | 77 | 106.4 Ų | 106.4 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -14 | -171.3 | -90.6 | -25.3 | 0 | 0 | 0 | 114.8 | R1574 D1612 S1616 L1617 | R1574-D1614 IonicContact CZ-OD1 2.75Å; R1574-D1614 IonicContact CZ-OD2 2.68Å; R1574-D1614 IonicContact NE-OD1 2.66Å; R1574-D1614 PolarHBondContact NE-OD1 2.84Å; R1574-D1614 IonicContact NE-OD2 3.67Å; R1574-D1614 IonicContact NH2-OD1 3.8Å; R1574-D1614 PolarHBondContact NH2-OD1 2.59Å; R1574-D1614 IonicContact NH2-OD2 2.9Å; R1574-D1614 PolarHBondContact NH2-OD2 2.94Å; D1612-D1614 PolarHBondContact O-N 3.16Å; D1614-S1616 PolarHBondContact O-N 2.85Å; D1614-L1617 WeakPolarHBondContact O-CB 3.06Å; D1614-L1617 PolarHBondContact O-N 3.32Å |
| 1615 | G | 45.2 | Very low | 44.4 | Very low | 48 Ų | 48 | 105.8 Ų | 105.8 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.4 | -24.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1613 L1617 | R1613-G1615 PolarHBondContact O-N 2.76Å; R1613-G1615 VanDerWaalsContact O-N 3.15Å; G1615-L1617 VanDerWaalsContact C-N 3.26Å; G1615-L1617 PolarHBondContact O-N 3.39Å |
| 1616 | S | 51.1 | Low | 44.2 | Very low | 74 Ų | 74 | 104 Ų | 104 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -22.3 | 175.9 | 66 | 0 | 0 | 0 | 0 | 114.1 | R1613 D1614 M1618 E1619 T1620 | R1613-S1616 PolarHBondContact O-N 2.85Å; R1613-S1616 PolarHBondContact O-OG 3.42Å; D1614-S1616 PolarHBondContact O-N 2.85Å; S1616-M1618 PolarHBondContact O-N 3.42Å; S1616-E1619 PolarHBondContact O-N 3.15Å; S1616-T1620 VanDerWaalsContact O-CB 3.27Å; S1616-T1620 WeakPolarHBondContact O-CB 3.39Å; S1616-T1620 PolarHBondContact O-N 3.23Å; S1616-T1620 PolarHBondContact O-OG1 3.04Å |
| 1617 | L | 51.7 | Low | 44.5 | Very low | 25 Ų | 25 | 101.2 Ų | 101.2 | 13% | 0.131 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | -168.8 | -166.1 | 76.8 | 0 | 0 | 0 | 112.6 | V1578 D1614 G1615 L1621 | V1578-L1617 HydrophobicContact CG2-CD1 3.5Å; D1614-L1617 WeakPolarHBondContact O-CB 3.06Å; D1614-L1617 PolarHBondContact O-N 3.32Å; G1615-L1617 VanDerWaalsContact C-N 3.26Å; G1615-L1617 PolarHBondContact O-N 3.39Å; L1617-L1621 HydrophobicContact CG-CD1 4.21Å; L1617-L1621 VanDerWaalsContact O-CB 3.26Å; L1617-L1621 WeakPolarHBondContact O-CB 3.44Å; L1617-L1621 VanDerWaalsContact O-CG 3.31Å; L1617-L1621 WeakPolarHBondContact O-CG 3.19Å; L1617-L1621 PolarHBondContact O-N 3.19Å |
| 1618 | M | 53.7 | Low | 44.6 | Very low | 62 Ų | 62 | 96.6 Ų | 96.6 | 31% | 0.305 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.9 | -33.4 | -179.3 | -80.6 | -70.2 | -82.2 | 0 | 0 | 112.9 | S1616 L1621 R1622 | S1616-M1618 PolarHBondContact O-N 3.42Å; M1618-L1621 HydrophobicContact SD-CD1 4.34Å; M1618-R1622 WeakPolarHBondContact O-CB 3.13Å; M1618-R1622 PolarHBondContact O-N 3.28Å; M1618-R1622 VanDerWaalsContact O-N 3.14Å |
| 1619 | E | 55.7 | Low | 44.1 | Very low | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 172.4 | -133.3 | 64 | -130.6 | 0 | 0 | 110.6 | S1616 L1621 R1622 H1623 | S1616-E1619 PolarHBondContact O-N 3.15Å; E1619-L1621 PolarHBondContact O-N 2.91Å; E1619-R1622 WeakPolarHBondContact O-CB 3.34Å; E1619-R1622 PolarHBondContact O-N 2.96Å; E1619-R1622 VanDerWaalsContact O-N 3.09Å; E1619-H1623 PolarHBondContact O-N 3.19Å |
| 1620 | T | 53.6 | Low | 43.9 | Very low | 61 Ų | 61 | 99.8 Ų | 99.8 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 178.2 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | S1616 R1622 H1623 M1624 | S1616-T1620 VanDerWaalsContact O-CB 3.27Å; S1616-T1620 WeakPolarHBondContact O-CB 3.39Å; S1616-T1620 PolarHBondContact O-N 3.23Å; S1616-T1620 PolarHBondContact O-OG1 3.04Å; T1620-R1622 PolarHBondContact O-N 3.48Å; T1620-H1623 PolarHBondContact O-N 3.39Å; T1620-M1624 HydrophobicContact CG2-CE 4.07Å; T1620-M1624 HydrophobicContact CG2-CG 3.96Å; T1620-M1624 HydrophobicContact CG2-SD 4.18Å; T1620-M1624 WeakPolarHBondContact O-CG 3.47Å; T1620-M1624 PolarHBondContact O-N 3.18Å |
| 1621 | L | 56.1 | Low | 43.7 | Very low | 23 Ų | 23 | 100.9 Ų | 100.9 | 12% | 0.12 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -62 | -28.9 | 172.3 | -85.1 | 168.8 | 0 | 0 | 0 | 113.3 | L1577 W1592 V1596 L1617 M1618 E1619 H1623 | L1577-L1621 HydrophobicContact CD1-CD2 3.6Å; L1577-L1621 HydrophobicContact CD1-CG 4.18Å; W1592-L1621 HydrophobicContact CH2-CD2 3.56Å; W1592-L1621 HydrophobicContact CZ2-CD2 3.71Å; V1596-L1621 HydrophobicContact CG2-CD2 4.3Å; L1617-L1621 HydrophobicContact CG-CD1 4.21Å; L1617-L1621 VanDerWaalsContact O-CB 3.26Å; L1617-L1621 WeakPolarHBondContact O-CB 3.44Å; L1617-L1621 VanDerWaalsContact O-CG 3.31Å; L1617-L1621 WeakPolarHBondContact O-CG 3.19Å; L1617-L1621 PolarHBondContact O-N 3.19Å; M1618-L1621 HydrophobicContact SD-CD1 4.34Å; E1619-L1621 PolarHBondContact O-N 2.91Å; L1621-H1623 VanDerWaalsContact C-N 3.32Å |
| 1622 | R | 55.8 | Low | 43.5 | Very low | 159 Ų | 159 | 102.8 Ų | 102.8 | 60% | 0.6 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -81.2 | -12.1 | 178.8 | -152.5 | -179.1 | -63 | -174.7 | 3.2 | 113.2 | M1618 E1619 T1620 | M1618-R1622 WeakPolarHBondContact O-CB 3.13Å; M1618-R1622 PolarHBondContact O-N 3.28Å; M1618-R1622 VanDerWaalsContact O-N 3.14Å; E1619-R1622 WeakPolarHBondContact O-CB 3.34Å; E1619-R1622 PolarHBondContact O-N 2.96Å; E1619-R1622 VanDerWaalsContact O-N 3.09Å; T1620-R1622 PolarHBondContact O-N 3.48Å |
| 1623 | H | 56.9 | Low | 43.2 | Very low | 142 Ų | 142 | 100.9 Ų | 100.9 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -124.2 | -14.4 | -174.5 | -68.2 | -33.4 | 0 | 0 | 0 | 115.6 | E1619 T1620 L1621 P1625 | E1619-H1623 PolarHBondContact O-N 3.19Å; T1620-H1623 PolarHBondContact O-N 3.39Å; L1621-H1623 VanDerWaalsContact C-N 3.32Å; H1623-P1625 WeakPolarHBondContact O-CD 3.33Å |
| 1624 | M | 45.7 | Very low | 42.6 | Very low | 91 Ų | 91 | 96.6 Ų | 96.6 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 128.8 | 175.9 | -78.9 | -153.9 | -64.5 | 0 | 0 | 113 | L1577 T1620 | L1577-M1624 HydrophobicContact CD2-CE 3.65Å; T1620-M1624 HydrophobicContact CG2-CE 4.07Å; T1620-M1624 HydrophobicContact CG2-CG 3.96Å; T1620-M1624 HydrophobicContact CG2-SD 4.18Å; T1620-M1624 WeakPolarHBondContact O-CG 3.47Å; T1620-M1624 PolarHBondContact O-N 3.18Å |
| 1625 | P | 43 | Very low | 41.9 | Very low | 108 Ų | 108 | 96.6 Ų | 96.6 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 153.8 | 167.8 | -20.4 | 33.2 | 0 | 0 | 0 | 112.3 | H1623 | H1623-P1625 WeakPolarHBondContact O-CD 3.33Š|
| 1626 | P | 42 | Very low | 40.9 | Very low | 70 Ų | 70 | 103 Ų | 103 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 132.2 | 176.7 | 26.5 | -34 | 0 | 0 | 0 | 111.3 | F1628 | P1626-F1628 PolarHBondContact O-N 2.94Š|
| 1627 | P | 40.5 | Very low | 39.7 | Very low | 78 Ų | 78 | 107.5 Ų | 107.5 | 51% | 0.506 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -81.6 | 44.8 | -171.3 | 34.3 | -38.2 | 0 | 0 | 0 | 114.1 | ||
| 1628 | F | 35.6 | Very low | 38.6 | Very low | 93 Ų | 93 | 114.2 Ų | 114.2 | 41% | 0.408 | 63% | 0.629 | S | S | . | * | trans | -143.3 | 106 | 179.8 | -71 | -71.2 | 0 | 0 | 0 | 113.1 | P1626 | P1626-F1628 PolarHBondContact O-N 2.94Š| ||
| 1629 | P | 30.7 | Very low | 37.3 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 85% | 0.851 | 65% | 0.651 | S | S | * | * | trans | -75.2 | 118.9 | 163.1 | -10.1 | 27.1 | 0 | 0 | 0 | 110.3 | ||||
| 1630 | F | 26.1 | Very low | 35.9 | Very low | 161 Ų | 161 | 122.8 Ų | 122.8 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -76.3 | 136.1 | 165.9 | -92 | -108.1 | 0 | 0 | 0 | 110.5 | ||||
| 1631 | V | 27.9 | Very low | 34.7 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -140.1 | 130.2 | 145 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1632 | D | 28.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -83.1 | 177.7 | -175.2 | -83.3 | -65.7 | 0 | 0 | 0 | 114.3 | ||||
| 1633 | S | 25.8 | Very low | 31.9 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -86.2 | 158.3 | 180 | -63.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1634 | S | 25.7 | Very low | 30.4 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | trans | 74.5 | 149.2 | 171.8 | 79.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1635 | G | 28.6 | Very low | 29.6 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | 136.1 | 114 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1636 | E | 24.8 | Very low | 28.9 | Very low | 183 Ų | 183 | 129.3 Ų | 129.3 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | -90.5 | 165 | 179.9 | -55.9 | 173.9 | 107.9 | 0 | 0 | 112.8 | ||||
| 1637 | M | 26.2 | Very low | 28.3 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | trans | 70.5 | 143.1 | 165.1 | -52.8 | 169 | 74.7 | 0 | 0 | 115.3 | ||||
| 1638 | M | 28.6 | Very low | 27.9 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | cis | -150.3 | 161.7 | 25.5 | -163 | 155.8 | 63.4 | 0 | 0 | 114.4 | ||||
| 1639 | Q | 26.3 | Very low | 27.8 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -60.9 | 140.8 | -171.4 | -70.3 | 159.6 | -21.3 | 0 | 0 | 118.6 | ||||
| 1640 | Q | 25.7 | Very low | 27.8 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | 49.6 | 169.4 | 122.8 | -77.9 | -177.8 | -20.4 | 0 | 0 | 122.8 | |||||
| 1641 | P | 29.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 133 Ų | 133 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | -139.7 | 175.7 | -28.5 | 36.8 | -18.3 | 0 | 0 | 0 | 115.6 | ||||
| 1642 | S | 25.1 | Very low | 28.1 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | 29.2 | 138.8 | 142.8 | 67 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1643 | S | 26.6 | Very low | 28.4 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | -179.7 | 151.8 | 102.3 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1644 | E | 26.6 | Very low | 28.6 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | 63 | 142.2 | 139.9 | -77.9 | 168.5 | -151.2 | 0 | 0 | 121.9 | ||||
| 1645 | D | 27.6 | Very low | 28.5 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 55% | 0.551 | 76% | 0.759 | S | S | * | * | cis | -164.5 | 178.1 | -8.3 | -167.1 | 14.5 | 0 | 0 | 0 | 111.9 | R1647 | D1645-R1647 IonicContact OD2-CZ 3.53Å; D1645-R1647 IonicContact OD2-NE 2.98Å; D1645-R1647 PolarHBondContact OD2-NE 3.04Å; D1645-R1647 IonicContact OD2-NH2 2.69Å; D1645-R1647 PolarHBondContact OD2-NH2 3.29Å | ||
| 1646 | M | 28.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | 82.8 | 138.7 | 154 | -62 | -171.4 | 61.4 | 0 | 0 | 119.5 | ||||
| 1647 | R | 30 | Very low | 28.5 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 60% | 0.6 | 75% | 0.753 | S | S | * | * | cis | -179.9 | 167.9 | -27.8 | -113.3 | 175.5 | -115.2 | 164.8 | 3 | 105.7 | D1645 | D1645-R1647 IonicContact OD2-CZ 3.53Å; D1645-R1647 IonicContact OD2-NE 2.98Å; D1645-R1647 PolarHBondContact OD2-NE 3.04Å; D1645-R1647 IonicContact OD2-NH2 2.69Å; D1645-R1647 PolarHBondContact OD2-NH2 3.29Å | ||
| 1648 | H | 32.3 | Very low | 28.4 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -144.1 | 176.2 | 10.6 | -105.9 | -70.5 | 0 | 0 | 0 | 109.8 | ||||
| 1649 | P | 34.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -134.6 | -169.6 | -158.5 | 45.3 | -30.4 | 0 | 0 | 0 | 116.9 | ||||
| 1650 | G | 30.5 | Very low | 28.3 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 159.8 | 107.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1651 | A | 28.4 | Very low | 28.3 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | 89.7 | 153.4 | 56.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1652 | P | 31.1 | Very low | 28.4 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | cis | -126.5 | 172.1 | -7.4 | 38.3 | -22 | 0 | 0 | 0 | 114.6 | ||||
| 1653 | P | 34.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | -80.6 | 159.5 | 170.6 | 34.2 | -36.2 | 0 | 0 | 0 | 113.2 | ||||
| 1654 | V | 29.7 | Very low | 29.2 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -131.7 | 136.6 | 173.1 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1655 | Q | 25.5 | Very low | 29.3 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -95.2 | 139.5 | 178 | -63.1 | 161.2 | -59.7 | 0 | 0 | 111.1 | ||||
| 1656 | G | 27.4 | Very low | 29.4 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 172.9 | 87.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1657 | V | 24.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 67.2 | 135.3 | 57.9 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1658 | I | 25.6 | Very low | 29.2 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | trans | 72.2 | 121.6 | -178.8 | -38.4 | -178.1 | 0 | 0 | 0 | 114.3 | ||||
| 1659 | G | 25.2 | Very low | 29.3 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 157.8 | 23.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | P1661 | G1659-P1661 WeakPolarHBondContact O-CD 3.39Š| ||
| 1660 | V | 27.6 | Very low | 29.1 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -84.4 | 125.2 | 168.6 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | M1662 | V1660-M1662 HydrophobicContact CG1-CB 4.2Š| ||
| 1661 | P | 24.5 | Very low | 29 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -125.3 | 72.4 | 151.2 | 38.6 | -30.3 | 0 | 0 | 0 | 112.3 | G1659 | G1659-P1661 WeakPolarHBondContact O-CD 3.39Š| ||
| 1662 | M | 32.4 | Very low | 28.8 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | trans | -76.3 | 145.3 | 143.5 | -96.7 | -88 | -73.2 | 0 | 0 | 108.2 | V1660 | V1660-M1662 HydrophobicContact CG1-CB 4.2Š| ||
| 1663 | P | 43.4 | Very low | 28.5 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | cis | -126.6 | -169.8 | -43.5 | 36.8 | -21.8 | 0 | 0 | 0 | 110.2 | ||||
| 1664 | P | 25 | Very low | 28.3 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -120.8 | 127.7 | 134.9 | -3.6 | 23.9 | 0 | 0 | 0 | 112.1 | ||||
| 1665 | Q | 29.2 | Very low | 28.4 | Very low | 188 Ų | 188 | 124.8 Ų | 124.8 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -76.1 | 150.4 | 163.8 | -68.7 | 175.3 | -22.8 | 0 | 0 | 110.2 | ||||
| 1666 | G | 28 | Very low | 28.6 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | 84 | 94.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1667 | F | 23.9 | Very low | 28.5 | Very low | 203 Ų | 203 | 122.4 Ų | 122.4 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -139.1 | 67.4 | 135.9 | -112.3 | -71.2 | 0 | 0 | 0 | 110.7 | ||||
| 1668 | A | 29.8 | Very low | 28.4 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -72.1 | 126.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1669 | G | 34.3 | Very low | 28.4 | Very low | 54 Ų | 54 | 123 Ų | 123 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | trans | 125 | 101 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1670 | A | 30.8 | Very low | 28.4 | Very low | 81 Ų | 81 | 125 Ų | 125 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | 62.8 | 135.1 | 132.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1671 | R | 29.6 | Very low | 28.3 | Very low | 223 Ų | 223 | 122.2 Ų | 122.2 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | S | Bend | -120.6 | 147.6 | 96.4 | -72.6 | -170.6 | 175.2 | -168.3 | -2 | 107.9 | |||
| 1672 | G | 23.6 | Very low | 28.3 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | S | Bend | cis | -65 | 141.5 | 23.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 1673 | V | 25.3 | Very low | 28 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 69.6 | 151.6 | 149.4 | -164.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1674 | M | 28.8 | Very low | 27.4 | Very low | 142 Ų | 142 | 126 Ų | 126 | 70% | 0.7 | 78% | 0.784 | S | S | * | * | trans | -150.3 | 147.2 | -179 | -122.2 | -92.8 | -88.9 | 0 | 0 | 106.5 | ||||
| 1675 | P | 32.9 | Very low | 27.7 | Very low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | -156.3 | 150.2 | 106.2 | 39.3 | -20.8 | 0 | 0 | 0 | 118.5 | |||||
| 1676 | T | 28.1 | Very low | 27.7 | Very low | 133 Ų | 133 | 122 Ų | 122 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | 51.5 | 129.1 | 141.9 | 58.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1677 | G | 25.4 | Very low | 28 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 157.4 | 97.5 | 145 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1678 | A | 24.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 47 | 114.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1679 | Y | 24.5 | Very low | 28.5 | Very low | 222 Ų | 222 | 123.6 Ų | 123.6 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | 65.9 | 108.6 | 123.1 | -71 | -70.9 | 0 | 0 | 0 | 126.1 | |||||
| 1680 | S | 24.5 | Very low | 28 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | 72.7 | 137.7 | 120.3 | 67.5 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 1681 | G | 25.8 | Very low | 27.8 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | 96.2 | 151.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1682 | E | 24.2 | Very low | 27.5 | Very low | 205 Ų | 205 | 128.1 Ų | 128.1 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | cis | -170.9 | 157.4 | -23.4 | -136.7 | 176.1 | -154.4 | 0 | 0 | 108.2 | ||||
| 1683 | G | 25.8 | Very low | 27.5 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 109.7 | 134 | 163 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1684 | L | 32.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -130.7 | 156.6 | 170.6 | -155.8 | 87.2 | 0 | 0 | 0 | 107.9 | ||||
| 1685 | P | 31.4 | Very low | 27.2 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | -162.5 | 136.1 | 110.6 | 37.3 | -15.6 | 0 | 0 | 0 | 120.1 | |||||
| 1686 | T | 28.6 | Very low | 26.7 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 66.4 | -175.6 | 134.5 | 73.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1687 | P | 35.4 | Very low | 26.5 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | -136.5 | -168.7 | -102.6 | 42.8 | -21 | 0 | 0 | 0 | 118 | |||||
| 1688 | L | 34.3 | Very low | 26.4 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -47.1 | 159.9 | 178 | -70.9 | 162.6 | 0 | 0 | 0 | 117.8 | ||||
| 1689 | P | 28.6 | Very low | 26.3 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -131.4 | 158.8 | 131.5 | 38.4 | -29.3 | 0 | 0 | 0 | 115.2 | ||||
| 1690 | S | 25.1 | Very low | 26.2 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -93.9 | 160.5 | -173.8 | -33.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1691 | Y | 25.4 | Very low | 26.2 | Very low | 215 Ų | 215 | 133 Ų | 133 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -142.2 | 105.7 | 151.4 | -111.3 | -80.7 | 0 | 0 | 0 | 112.7 | ||||
| 1692 | T | 23.5 | Very low | 26.5 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | trans | -124.7 | 129.2 | 162.3 | 44.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1693 | K | 24.3 | Very low | 26.6 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -156.1 | 129.1 | 170.2 | -120.1 | 173.7 | -176.8 | 177.2 | 0 | 110.6 | ||||
| 1694 | S | 24.3 | Very low | 26.5 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -81.5 | 148.9 | 173.1 | 49 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1695 | L | 22.1 | Very low | 26.1 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | trans | 169.5 | 150.2 | 138.5 | -94.6 | 157.7 | 0 | 0 | 0 | 110.6 | ||||
| 1696 | G | 22.8 | Very low | 25.9 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | 105.1 | 87.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1697 | I | 25.1 | Very low | 25.8 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -76.2 | 129.1 | 149.7 | -64.1 | 165.5 | 0 | 0 | 0 | 106.8 | ||||
| 1698 | N | 23.1 | Very low | 25.5 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -173.3 | 159.6 | 142.2 | -97.3 | -20.4 | 0 | 0 | 0 | 113 | ||||
| 1699 | S | 22.6 | Very low | 25.1 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -68.8 | 156.1 | -172.4 | 51.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1700 | S | 22.3 | Very low | 25.1 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | 65 | 126.3 | 156.4 | 63.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1701 | G | 23.5 | Very low | 25.7 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 147.7 | 150.4 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1702 | Q | 32.5 | Very low | 26.5 | Very low | 199 Ų | 199 | 137.1 Ų | 137.1 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -84.7 | 143.7 | 170 | -61 | 170.6 | -75.5 | 0 | 0 | 110.4 | ||||
| 1703 | P | 25.8 | Very low | 27.9 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -134.2 | 148.1 | 133 | 13.7 | 8 | 0 | 0 | 0 | 111.2 | ||||
| 1704 | E | 23.2 | Very low | 29.6 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | cis | 97.5 | 141.3 | 38.9 | -163.3 | 169.4 | -123.4 | 0 | 0 | 112.8 | ||||
| 1705 | L | 24.3 | Very low | 31.8 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | trans | -75.8 | 134 | -162.7 | -74.9 | 71 | 0 | 0 | 0 | 113.1 | ||||
| 1706 | V | 26.4 | Very low | 34.1 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -105.9 | 92.6 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1707 | A | 27 | Very low | 36.7 | Very low | 81 Ų | 81 | 123.1 Ų | 123.1 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | 36 | 104.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | T1709 | A1707-T1709 PolarHBondContact O-N 2.98Š| ||
| 1708 | R | 29.1 | Very low | 39.4 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 56% | 0.562 | 67% | 0.67 | S | S | * | * | trans | -64.8 | 124 | 150.4 | -77.7 | -176.9 | 171.9 | 148.3 | 9.6 | 109.1 | E1772 D1776 E1840 | R1708-E1772 IonicContact CZ-OE2 2.78Å; R1708-E1772 IonicContact NE-OE2 3.84Å; R1708-E1772 IonicContact NH1-OE2 2.75Å; R1708-E1772 PolarHBondContact NH1-OE2 3.33Å; R1708-D1776 IonicContact CZ-OD2 3.29Å; R1708-D1776 IonicContact NH2-OD2 3.87Å; R1708-D1776 PolarHBondContact NH2-OD2 3.23Å; R1708-E1840 IonicContact NH2-OE1 2.86Å | ||
| 1709 | T | 26.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 110.6 Ų | 110.6 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | trans | -90.7 | 156.3 | 165.3 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | A1707 | A1707-T1709 PolarHBondContact O-N 2.98Š| ||
| 1710 | V | 28.1 | Very low | 45 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | trans | 77.8 | 89.6 | 177.5 | -166.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1711 | Q | 37.4 | Very low | 47.8 | Very low | 97 Ų | 97 | 110.1 Ų | 110.1 | 45% | 0.453 | 63% | 0.626 | S | S | . | * | -170.9 | 127.1 | 113.5 | -101.1 | -171.7 | -5.4 | 0 | 0 | 109.5 | R1768 | Q1711-R1768 VanDerWaalsContact OE1-CZ 3.28Š| |||
| 1712 | E | 43.2 | Very low | 50.8 | Low | 194 Ų | 194 | 106.5 Ų | 106.5 | 91% | 0.907 | 59% | 0.589 | S | S | * | * | trans | -95.3 | -1.5 | -166.5 | -64.6 | 173.3 | 115.1 | 0 | 0 | 114.9 | ||||
| 1713 | N | 52.9 | Low | 53.3 | Low | 124 Ų | 124 | 100 Ų | 100 | 66% | 0.663 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -118.7 | 13.8 | -162.4 | -72.1 | -24.9 | 0 | 0 | 0 | 116.4 | ||
| 1714 | T | 60.7 | Low | 56.1 | Low | 49 Ų | 49 | 97.2 Ų | 97.2 | 30% | 0.301 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -109.5 | 142.3 | 176.8 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | F1718 A1765 | T1714-F1718 HydrophobicContact CG2-CD1 3.84Å; T1714-F1718 HydrophobicContact CG2-CE1 4.13Å; T1714-F1718 HydrophobicContact CG2-CG 4.48Å; T1714-A1765 HydrophobicContact CG2-CB 3.76Å |
| 1715 | P | 68.8 | Low | 59.1 | Low | 56 Ų | 56 | 89 Ų | 89 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | trans | -59.1 | 146.8 | 175.9 | -24.2 | 33.7 | 0 | 0 | 0 | 113.4 | G1717 F1718 | P1715-G1717 PolarHBondContact O-N 3.11Å; P1715-F1718 HydrophobicContact CB-CB 4.49Å; P1715-F1718 WeakPolarHBondContact O-CB 3.34Å; P1715-F1718 PolarHBondContact O-N 3.03Å | ||
| 1716 | P | 72.2 | Confident | 62.1 | Low | 133 Ų | 133 | 81 Ų | 81 | 86% | 0.864 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 134.7 | 168.3 | 26.8 | -33.8 | 0 | 0 | 0 | 109.7 | F1718 | P1716-F1718 VanDerWaalsContact C-N 3.34Š|
| 1717 | G | 76.5 | Confident | 65.1 | Low | 28 Ų | 28 | 81.7 Ų | 81.7 | 29% | 0.289 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 1.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1715 D1720 Q1721 | P1715-G1717 PolarHBondContact O-N 3.11Å; G1717-D1720 WeakPolarHBondContact CA-OD2 3.32Å; G1717-D1720 PolarHBondContact O-N 3.44Å; G1717-Q1721 WeakPolarHBondContact O-CG 3.38Å; G1717-Q1721 PolarHBondContact O-N 3.25Å; G1717-Q1721 PolarHBondContact O-NE2 3.41Å |
| 1718 | F | 82.5 | Confident | 67.9 | Low | 7 Ų | 7 | 81.7 Ų | 81.7 | 3% | 0.031 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 174.9 | -177.5 | -103.7 | 0 | 0 | 0 | 111.9 | T1714 P1715 P1716 D1720 Q1721 V1722 L1756 Y1762 A1765 I1769 | T1714-F1718 HydrophobicContact CG2-CD1 3.84Å; T1714-F1718 HydrophobicContact CG2-CE1 4.13Å; T1714-F1718 HydrophobicContact CG2-CG 4.48Å; P1715-F1718 HydrophobicContact CB-CB 4.49Å; P1715-F1718 WeakPolarHBondContact O-CB 3.34Å; P1715-F1718 PolarHBondContact O-N 3.03Å; P1716-F1718 VanDerWaalsContact C-N 3.34Å; F1718-D1720 PolarHBondContact O-N 3.15Å; F1718-Q1721 PolarHBondContact O-N 2.83Å; F1718-V1722 HydrophobicContact CD1-CG2 4.15Å; F1718-V1722 HydrophobicContact CE1-CG2 3.81Å; F1718-V1722 HydrophobicContact CE2-CG2 4.4Å; F1718-V1722 HydrophobicContact CZ-CG2 3.94Å; F1718-V1722 WeakPolarHBondContact O-CG2 3.31Å; F1718-V1722 PolarHBondContact O-N 3.46Å; F1718-L1756 HydrophobicContact CD2-CD2 4.41Å; F1718-L1756 HydrophobicContact CE2-CB 4.26Å; F1718-L1756 HydrophobicContact CE2-CD2 4.16Å; F1718-Y1762 HydrophobicContact CE2-CG 4.45Å; F1718-Y1762 HydrophobicContact CZ-CG 4.46Å; F1718-A1765 HydrophobicContact CE1-CB 3.92Å; F1718-I1769 HydrophobicContact CD1-CD1 3.81Å; F1718-I1769 HydrophobicContact CE1-CD1 3.93Å |
| 1719 | A | 79.3 | Confident | 70.8 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1721 V1722 E1723 I1769 | A1719-Q1721 VanDerWaalsContact C-N 3.31Å; A1719-Q1721 PolarHBondContact O-N 3.38Å; A1719-V1722 PolarHBondContact O-N 3.42Å; A1719-E1723 PolarHBondContact O-N 3.16Å; A1719-I1769 HydrophobicContact CB-CD1 4.43Å |
| 1720 | D | 82.9 | Confident | 73.8 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 60% | 0.604 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.5 | -36.4 | 178.4 | -49.6 | -54.3 | 0 | 0 | 0 | 111.8 | G1717 F1718 E1723 A1724 | G1717-D1720 WeakPolarHBondContact CA-OD2 3.32Å; G1717-D1720 PolarHBondContact O-N 3.44Å; F1718-D1720 PolarHBondContact O-N 3.15Å; D1720-E1723 PolarHBondContact O-N 3.4Å; D1720-A1724 WeakPolarHBondContact O-CB 3.41Å; D1720-A1724 PolarHBondContact O-N 3.2Å |
| 1721 | Q | 82.5 | Confident | 76.7 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 174.7 | -68.2 | 167.3 | 40.7 | 0 | 0 | 112.1 | G1717 F1718 A1719 A1725 L1756 | G1717-Q1721 WeakPolarHBondContact O-CG 3.38Å; G1717-Q1721 PolarHBondContact O-N 3.25Å; G1717-Q1721 PolarHBondContact O-NE2 3.41Å; F1718-Q1721 PolarHBondContact O-N 2.83Å; A1719-Q1721 VanDerWaalsContact C-N 3.31Å; A1719-Q1721 PolarHBondContact O-N 3.38Å; Q1721-A1725 WeakPolarHBondContact O-CB 3.43Å; Q1721-A1725 PolarHBondContact O-N 3.19Å; Q1721-L1756 HydrophobicContact CB-CD1 4.4Å; Q1721-L1756 HydrophobicContact CB-CD2 3.8Å |
| 1722 | V | 86.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | F1718 A1719 A1725 L1726 L1756 F1766 I1769 C1770 | F1718-V1722 HydrophobicContact CD1-CG2 4.15Å; F1718-V1722 HydrophobicContact CE1-CG2 3.81Å; F1718-V1722 HydrophobicContact CE2-CG2 4.4Å; F1718-V1722 HydrophobicContact CZ-CG2 3.94Å; F1718-V1722 WeakPolarHBondContact O-CG2 3.31Å; F1718-V1722 PolarHBondContact O-N 3.46Å; A1719-V1722 PolarHBondContact O-N 3.42Å; V1722-A1725 PolarHBondContact O-N 3.35Å; V1722-L1726 WeakPolarHBondContact O-CB 3.39Å; V1722-L1726 PolarHBondContact O-N 2.89Å; V1722-L1756 HydrophobicContact CG2-CD1 4.26Å; V1722-F1766 HydrophobicContact CG1-CD2 3.91Å; V1722-F1766 HydrophobicContact CG1-CE2 4.07Å; V1722-F1766 HydrophobicContact CG2-CD2 3.91Å; V1722-I1769 HydrophobicContact CB-CG2 4.04Å; V1722-I1769 HydrophobicContact CG1-CB 4.09Å; V1722-I1769 HydrophobicContact CG1-CG2 3.66Å; V1722-C1770 VanDerWaalsContact CG1-SG 3.56Å |
| 1723 | E | 85 | Confident | 81.2 | Confident | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.1 | 167.8 | 149 | -149.1 | 0 | 0 | 111.8 | A1719 D1720 L1726 R1727 M1773 | A1719-E1723 PolarHBondContact O-N 3.16Å; D1720-E1723 PolarHBondContact O-N 3.4Å; E1723-L1726 PolarHBondContact O-N 2.88Å; E1723-R1727 HydrophobicContact CG-CG 4.38Å; E1723-R1727 WeakPolarHBondContact O-CB 3.49Å; E1723-R1727 VanDerWaalsContact O-CG 3.31Å; E1723-R1727 WeakPolarHBondContact O-CG 3.25Å; E1723-R1727 PolarHBondContact O-N 3.34Å; E1723-R1727 IonicContact OE1-CZ 2.7Å; E1723-R1727 IonicContact OE1-NE 3.84Å; E1723-R1727 PolarHBondContact OE1-NE 3.42Å; E1723-R1727 IonicContact OE1-NH2 2.89Å; E1723-R1727 PolarHBondContact OE1-NH2 2.83Å; E1723-M1773 HydrophobicContact CB-CE 3.54Å; E1723-M1773 HydrophobicContact CB-SD 3.81Å; E1723-M1773 HydrophobicContact CG-CE 3.5Å; E1723-M1773 VanDerWaalsContact CG-CE 3.5Å; E1723-M1773 HydrophobicContact CG-SD 4.44Å |
| 1724 | A | 84.9 | Confident | 82.9 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1720 L1726 R1727 E1728 | D1720-A1724 WeakPolarHBondContact O-CB 3.41Å; D1720-A1724 PolarHBondContact O-N 3.2Å; A1724-L1726 VanDerWaalsContact C-N 3.34Å; A1724-L1726 PolarHBondContact O-N 3.13Å; A1724-R1727 PolarHBondContact O-N 3.09Å; A1724-E1728 WeakPolarHBondContact O-CB 3.48Å; A1724-E1728 PolarHBondContact O-N 2.91Å |
| 1725 | A | 85.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q1721 V1722 W1729 L1756 | Q1721-A1725 WeakPolarHBondContact O-CB 3.43Å; Q1721-A1725 PolarHBondContact O-N 3.19Å; V1722-A1725 PolarHBondContact O-N 3.35Å; A1725-W1729 VanDerWaalsContact O-CB 3.29Å; A1725-W1729 WeakPolarHBondContact O-CB 3.33Å; A1725-W1729 PolarHBondContact O-N 2.87Å; A1725-L1756 HydrophobicContact CB-CD1 3.77Å |
| 1726 | L | 88.1 | Confident | 84.7 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 176.4 | -176.8 | 60.3 | 0 | 0 | 0 | 111.9 | V1722 E1723 A1724 W1729 V1730 C1770 M1773 Y1803 | V1722-L1726 WeakPolarHBondContact O-CB 3.39Å; V1722-L1726 PolarHBondContact O-N 2.89Å; E1723-L1726 PolarHBondContact O-N 2.88Å; A1724-L1726 VanDerWaalsContact C-N 3.34Å; A1724-L1726 PolarHBondContact O-N 3.13Å; L1726-W1729 PolarHBondContact O-N 3Å; L1726-V1730 HydrophobicContact CD1-CG2 4.5Å; L1726-V1730 VanDerWaalsContact O-CG2 3.23Å; L1726-V1730 WeakPolarHBondContact O-CG2 3.33Å; L1726-V1730 PolarHBondContact O-N 2.98Å; L1726-C1770 HydrophobicContact CD2-CB 4.33Å; L1726-M1773 HydrophobicContact CD2-CB 4.27Å; L1726-M1773 HydrophobicContact CD2-CE 4.05Å; L1726-M1773 HydrophobicContact CD2-SD 4.04Å; L1726-Y1803 HydrophobicContact CD1-CD2 4.25Å |
| 1727 | R | 88.1 | Confident | 85.1 | Confident | 157 Ų | 157 | 58.1 Ų | 58.1 | 59% | 0.592 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 175.3 | -73 | 170.8 | 174.1 | -125.1 | 10.6 | 112.1 | E1723 A1724 V1730 T1731 | E1723-R1727 HydrophobicContact CG-CG 4.38Å; E1723-R1727 WeakPolarHBondContact O-CB 3.49Å; E1723-R1727 VanDerWaalsContact O-CG 3.31Å; E1723-R1727 WeakPolarHBondContact O-CG 3.25Å; E1723-R1727 PolarHBondContact O-N 3.34Å; E1723-R1727 IonicContact OE1-CZ 2.7Å; E1723-R1727 IonicContact OE1-NE 3.84Å; E1723-R1727 PolarHBondContact OE1-NE 3.42Å; E1723-R1727 IonicContact OE1-NH2 2.89Å; E1723-R1727 PolarHBondContact OE1-NH2 2.83Å; A1724-R1727 PolarHBondContact O-N 3.09Å; R1727-V1730 PolarHBondContact O-N 2.75Å; R1727-T1731 PolarHBondContact O-N 2.94Å; R1727-T1731 PolarHBondContact O-OG1 3Å |
| 1728 | E | 86.7 | Confident | 85.5 | Confident | 80 Ų | 80 | 58 Ų | 58 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 174.5 | -172.3 | 172.5 | -162.5 | 0 | 0 | 110.4 | A1724 V1730 T1731 I1732 Q1752 | A1724-E1728 WeakPolarHBondContact O-CB 3.48Å; A1724-E1728 PolarHBondContact O-N 2.91Å; E1728-V1730 PolarHBondContact O-N 2.81Å; E1728-T1731 WeakPolarHBondContact O-CA 3.26Å; E1728-T1731 WeakPolarHBondContact O-CB 3.33Å; E1728-T1731 PolarHBondContact O-N 3.04Å; E1728-I1732 HydrophobicContact CG-CD1 3.89Å; E1728-I1732 WeakPolarHBondContact O-CD1 3.37Å; E1728-I1732 WeakPolarHBondContact O-CG1 3.07Å; E1728-I1732 PolarHBondContact O-N 3.32Å; E1728-Q1752 PolarHBondContact OE1-NE2 2.83Å; E1728-Q1752 PolarHBondContact OE2-NE2 2.94Å |
| 1729 | W | 89.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 1% | 0.011 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.9 | -178.4 | -97.6 | 0 | 0 | 0 | 113.9 | A1725 L1726 T1731 I1732 Y1733 Y1738 F1746 A1802 L1806 | A1725-W1729 VanDerWaalsContact O-CB 3.29Å; A1725-W1729 WeakPolarHBondContact O-CB 3.33Å; A1725-W1729 PolarHBondContact O-N 2.87Å; L1726-W1729 PolarHBondContact O-N 3Å; W1729-T1731 PolarHBondContact O-N 3.32Å; W1729-I1732 HydrophobicContact CE3-CB 4.41Å; W1729-I1732 HydrophobicContact CE3-CD1 4.32Å; W1729-I1732 HydrophobicContact CE3-CG2 4.23Å; W1729-I1732 HydrophobicContact CZ3-CG2 4.1Å; W1729-I1732 PolarHBondContact O-N 3.1Å; W1729-Y1733 WeakPolarHBondContact O-CB 2.94Å; W1729-Y1733 PolarHBondContact O-N 3.47Å; W1729-Y1738 HydrophobicContact CH2-CD2 4.17Å; W1729-Y1738 AromaticContact CH2-CE2 3.67Å; W1729-Y1738 HydrophobicContact CH2-CE2 3.67Å; W1729-Y1738 AromaticContact CZ2-CE2 3.95Å; W1729-Y1738 HydrophobicContact CZ2-CE2 3.95Å; W1729-F1746 HydrophobicContact CH2-CB 4.13Å; W1729-F1746 AromaticContact CH2-CD2 3.7Å; W1729-F1746 HydrophobicContact CH2-CD2 3.7Å; W1729-F1746 HydrophobicContact CH2-CG 4.41Å; W1729-F1746 HydrophobicContact CZ3-CB 4.41Å; W1729-F1746 AromaticContact CZ3-CD2 3.83Å; W1729-F1746 HydrophobicContact CZ3-CD2 3.83Å; W1729-A1802 VanDerWaalsContact CD1-O 3.3Å; W1729-A1802 PolarHBondContact NE1-O 3.19Å; W1729-L1806 HydrophobicContact CB-CD2 4.28Å; W1729-L1806 HydrophobicContact CD2-CB 4.36Å; W1729-L1806 HydrophobicContact CD2-CD1 3.83Å; W1729-L1806 HydrophobicContact CD2-CD2 4.47Å; W1729-L1806 HydrophobicContact CD2-CG 4.44Å; W1729-L1806 HydrophobicContact CE3-CD1 4.1Å; W1729-L1806 HydrophobicContact CG-CB 4.26Å; W1729-L1806 HydrophobicContact CG-CD1 4.19Å; W1729-L1806 HydrophobicContact CG-CD2 3.96Å; W1729-L1806 HydrophobicContact CG-CG 4.36Å; W1729-L1806 HydrophobicContact CZ2-CD1 4.37Å; W1729-L1806 HydrophobicContact CZ3-CD1 4.48Å |
| 1730 | V | 89.5 | Confident | 85.3 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -34.3 | 173.5 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L1726 R1727 E1728 H1734 H1798 T1799 A1802 | L1726-V1730 HydrophobicContact CD1-CG2 4.5Å; L1726-V1730 VanDerWaalsContact O-CG2 3.23Å; L1726-V1730 WeakPolarHBondContact O-CG2 3.33Å; L1726-V1730 PolarHBondContact O-N 2.98Å; R1727-V1730 PolarHBondContact O-N 2.75Å; E1728-V1730 PolarHBondContact O-N 2.81Å; V1730-H1734 PolarHBondContact O-ND1 3.16Å; V1730-H1798 VanDerWaalsContact CG1-CE1 3.48Å; V1730-H1798 WeakPolarHBondContact CG1-CE1 3.27Å; V1730-T1799 HydrophobicContact CG2-CG2 4.03Å; V1730-A1802 HydrophobicContact CB-CB 4.38Å; V1730-A1802 HydrophobicContact CG2-CB 3.87Å |
| 1731 | T | 88.6 | Confident | 85.2 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73 | -42.9 | 175.8 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | R1727 E1728 W1729 | R1727-T1731 PolarHBondContact O-N 2.94Å; R1727-T1731 PolarHBondContact O-OG1 3Å; E1728-T1731 WeakPolarHBondContact O-CA 3.26Å; E1728-T1731 WeakPolarHBondContact O-CB 3.33Å; E1728-T1731 PolarHBondContact O-N 3.04Å; W1729-T1731 PolarHBondContact O-N 3.32Å |
| 1732 | I | 87.5 | Confident | 85.2 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 177 | -67.9 | 155.5 | 0 | 0 | 0 | 111.8 | E1728 W1729 H1734 S1735 Y1738 V1745 T1749 | E1728-I1732 HydrophobicContact CG-CD1 3.89Å; E1728-I1732 WeakPolarHBondContact O-CD1 3.37Å; E1728-I1732 WeakPolarHBondContact O-CG1 3.07Å; E1728-I1732 PolarHBondContact O-N 3.32Å; W1729-I1732 HydrophobicContact CE3-CB 4.41Å; W1729-I1732 HydrophobicContact CE3-CD1 4.32Å; W1729-I1732 HydrophobicContact CE3-CG2 4.23Å; W1729-I1732 HydrophobicContact CZ3-CG2 4.1Å; W1729-I1732 PolarHBondContact O-N 3.1Å; I1732-H1734 VanDerWaalsContact C-N 3.28Å; I1732-H1734 PolarHBondContact O-N 3.08Å; I1732-S1735 VanDerWaalsContact O-CB 3.3Å; I1732-S1735 WeakPolarHBondContact O-CB 3.31Å; I1732-S1735 PolarHBondContact O-N 2.76Å; I1732-S1735 PolarHBondContact O-OG 2.99Å; I1732-Y1738 VanDerWaalsContact O-CB 3.26Å; I1732-Y1738 WeakPolarHBondContact O-CB 3.38Å; I1732-V1745 HydrophobicContact CG2-CG1 3.41Å; I1732-V1745 VanDerWaalsContact CG2-CG1 3.41Å; I1732-T1749 HydrophobicContact CD1-CG2 3.62Å; I1732-T1749 HydrophobicContact CG1-CG2 4.33Å |
| 1733 | Y | 87.7 | Confident | 84.9 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -34.3 | -174.9 | 174.6 | -97.6 | 0 | 0 | 0 | 113.3 | W1729 S1735 Y1738 D1801 A1802 A1805 | W1729-Y1733 WeakPolarHBondContact O-CB 2.94Å; W1729-Y1733 PolarHBondContact O-N 3.47Å; Y1733-S1735 VanDerWaalsContact C-N 3.33Å; Y1733-Y1738 AromaticContact CD2-CD1 3.82Å; Y1733-Y1738 HydrophobicContact CD2-CD1 3.82Å; Y1733-Y1738 AromaticContact CD2-CE1 3.37Å; Y1733-Y1738 HydrophobicContact CD2-CE1 3.37Å; Y1733-Y1738 HydrophobicContact CE2-CD1 4.33Å; Y1733-Y1738 AromaticContact CE2-CE1 3.64Å; Y1733-Y1738 HydrophobicContact CE2-CE1 3.64Å; Y1733-Y1738 HydrophobicContact CG-CD1 4.44Å; Y1733-Y1738 HydrophobicContact CG-CE1 4.38Å; Y1733-Y1738 WeakPolarHBondContact O-CD1 3.35Å; Y1733-D1801 HydrophobicContact CE1-CB 4.31Å; Y1733-A1802 HydrophobicContact CD1-CB 3.62Å; Y1733-A1802 HydrophobicContact CE1-CB 4.33Å; Y1733-A1802 HydrophobicContact CG-CB 3.72Å; Y1733-A1805 HydrophobicContact CD2-CB 3.53Å; Y1733-A1805 HydrophobicContact CE2-CB 3.25Å |
| 1734 | H | 88.4 | Confident | 84.7 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 39% | 0.389 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4 | 176.7 | -60.5 | 96.5 | 0 | 0 | 0 | 113.4 | V1730 I1732 H1798 | V1730-H1734 PolarHBondContact O-ND1 3.16Å; I1732-H1734 VanDerWaalsContact C-N 3.28Å; I1732-H1734 PolarHBondContact O-N 3.08Å; H1734-H1798 AromaticContact CD2-CD2 3.81Å; H1734-H1798 AromaticContact CD2-NE2 3.97Å; H1734-H1798 AromaticContact CE1-CD2 3.29Å; H1734-H1798 PolarHBondContact CE1-CD2 2.86Å; H1734-H1798 AromaticContact CE1-CE1 3.47Å; H1734-H1798 PolarHBondContact CE1-CE1 3.34Å; H1734-H1798 VanDerWaalsContact CE1-CE1 3.47Å; H1734-H1798 AromaticContact CE1-CG 3.36Å; H1734-H1798 AromaticContact CE1-ND1 3.48Å; H1734-H1798 PolarHBondContact CE1-ND1 3.03Å; H1734-H1798 AromaticContact CE1-NE2 3.38Å; H1734-H1798 PolarHBondContact CE1-NE2 3.28Å; H1734-H1798 PolarHBondContact CE1-O 2.89Å; H1734-H1798 VanDerWaalsContact CE1-O 3.23Å; H1734-H1798 AromaticContact CG-NE2 3.78Å; H1734-H1798 AromaticContact ND1-CD2 3.8Å; H1734-H1798 AromaticContact ND1-CE1 3.55Å; H1734-H1798 AromaticContact ND1-NE2 3.42Å; H1734-H1798 PolarHBondContact ND1-NE2 2.88Å; H1734-H1798 AromaticContact NE2-CD2 3.3Å; H1734-H1798 PolarHBondContact NE2-CD2 3.21Å; H1734-H1798 VanDerWaalsContact NE2-CD2 3.3Å; H1734-H1798 AromaticContact NE2-CG 3.62Å; H1734-H1798 AromaticContact NE2-NE2 3.76Å |
| 1735 | S | 86.4 | Confident | 84.6 | Confident | 23 Ų | 23 | 64 Ų | 64 | 16% | 0.161 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -74.8 | 146.7 | 175.9 | 99.4 | 0 | 0 | 0 | 0 | 111.2 | I1732 Y1733 E1737 Y1738 A1739 | I1732-S1735 VanDerWaalsContact O-CB 3.3Å; I1732-S1735 WeakPolarHBondContact O-CB 3.31Å; I1732-S1735 PolarHBondContact O-N 2.76Å; I1732-S1735 PolarHBondContact O-OG 2.99Å; Y1733-S1735 VanDerWaalsContact C-N 3.33Å; S1735-E1737 PolarHBondContact O-N 2.76Å; S1735-E1737 WeakPolarHBondContact OG-CB 3.45Å; S1735-E1737 PolarHBondContact OG-N 2.88Å; S1735-Y1738 PolarHBondContact O-N 2.8Å; S1735-Y1738 PolarHBondContact OG-N 3.34Å; S1735-A1739 PolarHBondContact O-N 2.79Å |
| 1736 | P | 81.9 | Confident | 84.5 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63 | -23.3 | 174.1 | 26.7 | -34.5 | 0 | 0 | 0 | 112.2 | S1740 | P1736-S1740 PolarHBondContact O-N 2.87Å; P1736-S1740 VanDerWaalsContact O-N 3.12Å |
| 1737 | E | 79.3 | Confident | 84.1 | Confident | 128 Ų | 128 | 67.3 Ų | 67.3 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65 | -48.6 | 175.2 | -48.7 | 177 | 142.2 | 0 | 0 | 110.5 | S1735 A1739 S1740 Q1741 V1745 | S1735-E1737 PolarHBondContact O-N 2.76Å; S1735-E1737 WeakPolarHBondContact OG-CB 3.45Å; S1735-E1737 PolarHBondContact OG-N 2.88Å; E1737-A1739 VanDerWaalsContact C-N 3.33Å; E1737-A1739 PolarHBondContact O-N 2.77Å; E1737-S1740 PolarHBondContact O-N 3.1Å; E1737-S1740 VanDerWaalsContact O-N 3.08Å; E1737-S1740 PolarHBondContact O-OG 2.95Å; E1737-Q1741 PolarHBondContact O-N 2.7Å; E1737-V1745 HydrophobicContact CB-CG2 3.99Å |
| 1738 | Y | 85.3 | Confident | 83.5 | Confident | 25 Ų | 25 | 63 Ų | 63 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 178 | -176.4 | -96.7 | 0 | 0 | 0 | 111.7 | W1729 I1732 Y1733 S1735 S1740 P1742 V1745 Q1809 | W1729-Y1738 HydrophobicContact CH2-CD2 4.17Å; W1729-Y1738 AromaticContact CH2-CE2 3.67Å; W1729-Y1738 HydrophobicContact CH2-CE2 3.67Å; W1729-Y1738 AromaticContact CZ2-CE2 3.95Å; W1729-Y1738 HydrophobicContact CZ2-CE2 3.95Å; I1732-Y1738 VanDerWaalsContact O-CB 3.26Å; I1732-Y1738 WeakPolarHBondContact O-CB 3.38Å; Y1733-Y1738 AromaticContact CD2-CD1 3.82Å; Y1733-Y1738 HydrophobicContact CD2-CD1 3.82Å; Y1733-Y1738 AromaticContact CD2-CE1 3.37Å; Y1733-Y1738 HydrophobicContact CD2-CE1 3.37Å; Y1733-Y1738 HydrophobicContact CE2-CD1 4.33Å; Y1733-Y1738 AromaticContact CE2-CE1 3.64Å; Y1733-Y1738 HydrophobicContact CE2-CE1 3.64Å; Y1733-Y1738 HydrophobicContact CG-CD1 4.44Å; Y1733-Y1738 HydrophobicContact CG-CE1 4.38Å; Y1733-Y1738 WeakPolarHBondContact O-CD1 3.35Å; S1735-Y1738 PolarHBondContact O-N 2.8Å; S1735-Y1738 PolarHBondContact OG-N 3.34Å; Y1738-S1740 PolarHBondContact O-N 3.16Å; Y1738-P1742 HydrophobicContact CD1-CB 4.4Å; Y1738-P1742 HydrophobicContact CD2-CB 3.93Å; Y1738-P1742 HydrophobicContact CE1-CB 4.03Å; Y1738-P1742 HydrophobicContact CE2-CB 3.5Å; Y1738-P1742 WeakPolarHBondContact CE2-O 3.09Å; Y1738-P1742 HydrophobicContact CG-CB 4.35Å; Y1738-P1742 VanDerWaalsContact O-CA 3.31Å; Y1738-P1742 WeakPolarHBondContact O-CA 3.36Å; Y1738-P1742 VanDerWaalsContact O-CB 3.32Å; Y1738-P1742 WeakPolarHBondContact O-CB 3.46Å; Y1738-P1742 VanDerWaalsContact O-CD 3.23Å; Y1738-P1742 WeakPolarHBondContact O-CD 3.07Å; Y1738-V1745 HydrophobicContact CD2-CB 4.18Å; Y1738-V1745 HydrophobicContact CD2-CG1 4.09Å; Y1738-Q1809 PolarHBondContact OH-NE2 3.38Å; Y1738-Q1809 VanDerWaalsContact OH-NE2 3.1Å |
| 1739 | A | 79.3 | Confident | 83 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 70% | 0.702 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.2 | -30.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | S1735 E1737 | S1735-A1739 PolarHBondContact O-N 2.79Å; E1737-A1739 VanDerWaalsContact C-N 3.33Å; E1737-A1739 PolarHBondContact O-N 2.77Å |
| 1740 | S | 78.4 | Confident | 82.2 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -86.8 | -40 | 180 | 76.8 | 0 | 0 | 0 | 0 | 114.2 | P1736 E1737 Y1738 | P1736-S1740 PolarHBondContact O-N 2.87Å; P1736-S1740 VanDerWaalsContact O-N 3.12Å; E1737-S1740 PolarHBondContact O-N 3.1Å; E1737-S1740 VanDerWaalsContact O-N 3.08Å; E1737-S1740 PolarHBondContact O-OG 2.95Å; Y1738-S1740 PolarHBondContact O-N 3.16Å |
| 1741 | Q | 81.3 | Confident | 81.2 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | trans | -143.4 | 59 | -169.6 | -61.6 | -174.3 | 40.2 | 0 | 0 | 112.2 | E1737 N1743 Q1744 V1745 | E1737-Q1741 PolarHBondContact O-N 2.7Å; Q1741-N1743 VanDerWaalsContact C-N 3.26Å; Q1741-N1743 PolarHBondContact O-N 3.14Å; Q1741-N1743 VanDerWaalsContact O-N 3.09Å; Q1741-Q1744 HydrophobicContact CB-CB 4.29Å; Q1741-Q1744 PolarHBondContact O-N 2.89Å; Q1741-Q1744 VanDerWaalsContact OE1-CD 3.23Å; Q1741-V1745 PolarHBondContact O-N 3.31Å; Q1741-V1745 VanDerWaalsContact O-N 3.11Å | ||
| 1742 | P | 81.8 | Confident | 80.1 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.9 | -33.3 | -165.5 | 22.3 | -33.5 | 0 | 0 | 0 | 113.9 | Y1738 F1746 | Y1738-P1742 HydrophobicContact CD1-CB 4.4Å; Y1738-P1742 HydrophobicContact CD2-CB 3.93Å; Y1738-P1742 HydrophobicContact CE1-CB 4.03Å; Y1738-P1742 HydrophobicContact CE2-CB 3.5Å; Y1738-P1742 WeakPolarHBondContact CE2-O 3.09Å; Y1738-P1742 HydrophobicContact CG-CB 4.35Å; Y1738-P1742 VanDerWaalsContact O-CA 3.31Å; Y1738-P1742 WeakPolarHBondContact O-CA 3.36Å; Y1738-P1742 VanDerWaalsContact O-CB 3.32Å; Y1738-P1742 WeakPolarHBondContact O-CB 3.46Å; Y1738-P1742 VanDerWaalsContact O-CD 3.23Å; Y1738-P1742 WeakPolarHBondContact O-CD 3.07Å; P1742-F1746 VanDerWaalsContact O-CB 3.29Å; P1742-F1746 WeakPolarHBondContact O-CB 3.11Å; P1742-F1746 PolarHBondContact O-N 2.82Å |
| 1743 | N | 79.7 | Confident | 79.2 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.1 | -34.9 | 177.3 | -71 | -8.9 | 0 | 0 | 0 | 113.1 | Q1741 L1747 Q1809 H1813 | Q1741-N1743 VanDerWaalsContact C-N 3.26Å; Q1741-N1743 PolarHBondContact O-N 3.14Å; Q1741-N1743 VanDerWaalsContact O-N 3.09Å; N1743-L1747 WeakPolarHBondContact O-CB 3.28Å; N1743-L1747 WeakPolarHBondContact O-CD1 3.46Å; N1743-L1747 WeakPolarHBondContact O-CG 3.32Å; N1743-L1747 PolarHBondContact O-N 3.49Å; N1743-Q1809 PolarHBondContact OD1-OE1 2.89Å; N1743-H1813 PolarHBondContact OD1-NE2 3.32Å |
| 1744 | Q | 80.4 | Confident | 78.3 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75.7 | -43.7 | 179.2 | -64.7 | -163.8 | 50.6 | 0 | 0 | 110.9 | Q1741 F1746 L1747 A1748 | Q1741-Q1744 HydrophobicContact CB-CB 4.29Å; Q1741-Q1744 PolarHBondContact O-N 2.89Å; Q1741-Q1744 VanDerWaalsContact OE1-CD 3.23Å; Q1744-F1746 PolarHBondContact O-N 3.12Å; Q1744-L1747 PolarHBondContact O-N 2.85Å; Q1744-A1748 PolarHBondContact O-N 2.89Å |
| 1745 | V | 82.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.7 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | I1732 E1737 Y1738 Q1741 A1748 T1749 | I1732-V1745 HydrophobicContact CG2-CG1 3.41Å; I1732-V1745 VanDerWaalsContact CG2-CG1 3.41Å; E1737-V1745 HydrophobicContact CB-CG2 3.99Å; Y1738-V1745 HydrophobicContact CD2-CB 4.18Å; Y1738-V1745 HydrophobicContact CD2-CG1 4.09Å; Q1741-V1745 PolarHBondContact O-N 3.31Å; Q1741-V1745 VanDerWaalsContact O-N 3.11Å; V1745-A1748 PolarHBondContact O-N 3.43Å; V1745-T1749 PolarHBondContact O-N 3.37Å; V1745-T1749 VanDerWaalsContact O-N 3.16Å; V1745-T1749 PolarHBondContact O-OG1 2.85Å; V1745-T1749 VanDerWaalsContact O-OG1 3.13Å |
| 1746 | F | 83.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 172.7 | 175.9 | -93.5 | 0 | 0 | 0 | 112.2 | W1729 P1742 Q1744 A1748 T1749 F1750 L1806 Q1809 M1810 H1813 | W1729-F1746 HydrophobicContact CH2-CB 4.13Å; W1729-F1746 AromaticContact CH2-CD2 3.7Å; W1729-F1746 HydrophobicContact CH2-CD2 3.7Å; W1729-F1746 HydrophobicContact CH2-CG 4.41Å; W1729-F1746 HydrophobicContact CZ3-CB 4.41Å; W1729-F1746 AromaticContact CZ3-CD2 3.83Å; W1729-F1746 HydrophobicContact CZ3-CD2 3.83Å; P1742-F1746 VanDerWaalsContact O-CB 3.29Å; P1742-F1746 WeakPolarHBondContact O-CB 3.11Å; P1742-F1746 PolarHBondContact O-N 2.82Å; Q1744-F1746 PolarHBondContact O-N 3.12Å; F1746-A1748 PolarHBondContact O-N 2.78Å; F1746-T1749 PolarHBondContact O-N 3.37Å; F1746-F1750 HydrophobicContact CD1-CB 4.2Å; F1746-F1750 HydrophobicContact CE1-CB 3.82Å; F1746-F1750 HydrophobicContact CE1-CD1 4.36Å; F1746-F1750 AromaticContact CE1-CD2 3.88Å; F1746-F1750 HydrophobicContact CE1-CD2 3.88Å; F1746-F1750 AromaticContact CE1-CG 3.76Å; F1746-F1750 HydrophobicContact CE1-CG 3.76Å; F1746-F1750 HydrophobicContact CE2-CB 4.25Å; F1746-F1750 AromaticContact CE2-CD2 3.83Å; F1746-F1750 HydrophobicContact CE2-CD2 3.83Å; F1746-F1750 HydrophobicContact CE2-CG 4.33Å; F1746-F1750 HydrophobicContact CZ-CB 3.89Å; F1746-F1750 AromaticContact CZ-CD2 3.26Å; F1746-F1750 HydrophobicContact CZ-CD2 3.26Å; F1746-F1750 AromaticContact CZ-CE2 3.9Å; F1746-F1750 HydrophobicContact CZ-CE2 3.9Å; F1746-F1750 AromaticContact CZ-CG 3.64Å; F1746-F1750 HydrophobicContact CZ-CG 3.64Å; F1746-F1750 WeakPolarHBondContact O-CA 2.91Å; F1746-F1750 WeakPolarHBondContact O-CB 3.02Å; F1746-F1750 PolarHBondContact O-N 3.46Å; F1746-L1806 HydrophobicContact CD2-CD1 4.47Å; F1746-L1806 HydrophobicContact CE2-CD1 3.97Å; F1746-Q1809 HydrophobicContact CB-CB 4.42Å; F1746-Q1809 HydrophobicContact CB-CG 4.32Å; F1746-Q1809 HydrophobicContact CD1-CB 4.17Å; F1746-Q1809 HydrophobicContact CD2-CB 3.37Å; F1746-Q1809 HydrophobicContact CD2-CG 4Å; F1746-Q1809 HydrophobicContact CE1-CB 4.32Å; F1746-Q1809 HydrophobicContact CE2-CB 3.5Å; F1746-Q1809 HydrophobicContact CG-CB 3.71Å; F1746-Q1809 HydrophobicContact CG-CG 4.14Å; F1746-Q1809 HydrophobicContact CZ-CB 3.98Å; F1746-M1810 HydrophobicContact CE2-CG 4.31Å; F1746-M1810 HydrophobicContact CZ-CG 4.24Å; F1746-H1813 HydrophobicContact CD1-CB 4.19Å; F1746-H1813 AromaticContact CD1-CD2 3.5Å; F1746-H1813 AromaticContact CD1-CG 3.99Å; F1746-H1813 HydrophobicContact CE1-CB 3.61Å; F1746-H1813 AromaticContact CE1-CD2 3.7Å; F1746-H1813 AromaticContact CE1-CG 3.91Å |
| 1747 | L | 80.2 | Confident | 76 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -24.5 | -177 | -75.1 | 170.3 | 0 | 0 | 0 | 113.7 | N1743 Q1744 H1813 | N1743-L1747 WeakPolarHBondContact O-CB 3.28Å; N1743-L1747 WeakPolarHBondContact O-CD1 3.46Å; N1743-L1747 WeakPolarHBondContact O-CG 3.32Å; N1743-L1747 PolarHBondContact O-N 3.49Å; Q1744-L1747 PolarHBondContact O-N 2.85Å; L1747-H1813 HydrophobicContact CD2-CB 4.39Å |
| 1748 | A | 77 | Confident | 75.6 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74 | -53 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1744 V1745 F1746 S1751 | Q1744-A1748 PolarHBondContact O-N 2.89Å; V1745-A1748 PolarHBondContact O-N 3.43Å; F1746-A1748 PolarHBondContact O-N 2.78Å; A1748-S1751 PolarHBondContact O-OG 2.76Å |
| 1749 | T | 74.6 | Confident | 75 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -79.2 | -21.8 | -174.2 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | I1732 V1745 F1746 S1751 Q1752 | I1732-T1749 HydrophobicContact CD1-CG2 3.62Å; I1732-T1749 HydrophobicContact CG1-CG2 4.33Å; V1745-T1749 PolarHBondContact O-N 3.37Å; V1745-T1749 VanDerWaalsContact O-N 3.16Å; V1745-T1749 PolarHBondContact O-OG1 2.85Å; V1745-T1749 VanDerWaalsContact O-OG1 3.13Å; F1746-T1749 PolarHBondContact O-N 3.37Å; T1749-S1751 PolarHBondContact O-N 3.01Å; T1749-Q1752 WeakPolarHBondContact O-CB 3.44Å; T1749-Q1752 PolarHBondContact O-N 3.34Å; T1749-Q1752 PolarHBondContact O-OE1 3.39Å |
| 1750 | F | 73.9 | Confident | 74.6 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -18 | 174.1 | -177 | -110.7 | 0 | 0 | 0 | 112.9 | F1746 Q1752 V1753 H1754 T1814 | F1746-F1750 HydrophobicContact CD1-CB 4.2Å; F1746-F1750 HydrophobicContact CE1-CB 3.82Å; F1746-F1750 HydrophobicContact CE1-CD1 4.36Å; F1746-F1750 AromaticContact CE1-CD2 3.88Å; F1746-F1750 HydrophobicContact CE1-CD2 3.88Å; F1746-F1750 AromaticContact CE1-CG 3.76Å; F1746-F1750 HydrophobicContact CE1-CG 3.76Å; F1746-F1750 HydrophobicContact CE2-CB 4.25Å; F1746-F1750 AromaticContact CE2-CD2 3.83Å; F1746-F1750 HydrophobicContact CE2-CD2 3.83Å; F1746-F1750 HydrophobicContact CE2-CG 4.33Å; F1746-F1750 HydrophobicContact CZ-CB 3.89Å; F1746-F1750 AromaticContact CZ-CD2 3.26Å; F1746-F1750 HydrophobicContact CZ-CD2 3.26Å; F1746-F1750 AromaticContact CZ-CE2 3.9Å; F1746-F1750 HydrophobicContact CZ-CE2 3.9Å; F1746-F1750 AromaticContact CZ-CG 3.64Å; F1746-F1750 HydrophobicContact CZ-CG 3.64Å; F1746-F1750 WeakPolarHBondContact O-CA 2.91Å; F1746-F1750 WeakPolarHBondContact O-CB 3.02Å; F1746-F1750 PolarHBondContact O-N 3.46Å; F1750-Q1752 PolarHBondContact O-N 3.28Å; F1750-V1753 HydrophobicContact CD2-CB 4.02Å; F1750-V1753 HydrophobicContact CD2-CG1 4.32Å; F1750-V1753 HydrophobicContact CE2-CB 4.45Å; F1750-V1753 HydrophobicContact CE2-CG1 4.38Å; F1750-V1753 PolarHBondContact O-N 2.83Å; F1750-H1754 HydrophobicContact CD1-CB 4.09Å; F1750-H1754 HydrophobicContact CE1-CB 3.7Å; F1750-H1754 AromaticContact CE1-CD2 3.61Å; F1750-H1754 AromaticContact CE1-CG 3.8Å; F1750-H1754 HydrophobicContact CE2-CB 4.27Å; F1750-H1754 HydrophobicContact CZ-CB 3.79Å; F1750-H1754 WeakPolarHBondContact O-CB 3.24Å; F1750-H1754 PolarHBondContact O-N 2.91Å; F1750-T1814 HydrophobicContact CE2-CG2 4.32Å; F1750-T1814 WeakPolarHBondContact CE2-OG1 3.44Å; F1750-T1814 HydrophobicContact CZ-CG2 3.73Å; F1750-T1814 VanDerWaalsContact CZ-OG1 3.25Å; F1750-T1814 WeakPolarHBondContact CZ-OG1 3.02Å |
| 1751 | S | 68.7 | Low | 74.3 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 57% | 0.566 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.7 | -35.5 | 170.1 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | A1748 T1749 | A1748-S1751 PolarHBondContact O-OG 2.76Å; T1749-S1751 PolarHBondContact O-N 3.01Å |
| 1752 | Q | 64.8 | Low | 74.3 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.1 | -52.9 | 174.4 | -62.9 | 153.2 | -67.1 | 0 | 0 | 110.4 | E1728 T1749 F1750 H1754 M1755 | E1728-Q1752 PolarHBondContact OE1-NE2 2.83Å; E1728-Q1752 PolarHBondContact OE2-NE2 2.94Å; T1749-Q1752 WeakPolarHBondContact O-CB 3.44Å; T1749-Q1752 PolarHBondContact O-N 3.34Å; T1749-Q1752 PolarHBondContact O-OE1 3.39Å; F1750-Q1752 PolarHBondContact O-N 3.28Å; Q1752-H1754 PolarHBondContact O-N 2.96Å; Q1752-M1755 WeakPolarHBondContact O-CB 3.29Å; Q1752-M1755 PolarHBondContact O-N 2.84Å |
| 1753 | V | 67.7 | Low | 74.2 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | -176.1 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | F1750 M1755 L1756 V1757 F1766 | F1750-V1753 HydrophobicContact CD2-CB 4.02Å; F1750-V1753 HydrophobicContact CD2-CG1 4.32Å; F1750-V1753 HydrophobicContact CE2-CB 4.45Å; F1750-V1753 HydrophobicContact CE2-CG1 4.38Å; F1750-V1753 PolarHBondContact O-N 2.83Å; V1753-M1755 PolarHBondContact O-N 3.36Å; V1753-L1756 WeakPolarHBondContact O-CB 3.33Å; V1753-L1756 PolarHBondContact O-N 3.38Å; V1753-V1757 HydrophobicContact CG1-CG2 3.94Å; V1753-V1757 WeakPolarHBondContact O-CG2 3.4Å; V1753-F1766 HydrophobicContact CG1-CE2 4.37Å; V1753-F1766 HydrophobicContact CG1-CZ 4.23Å |
| 1754 | H | 69.5 | Low | 74.3 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 27% | 0.269 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -53.8 | -29.6 | 179.1 | -171.8 | -15.6 | 0 | 0 | 0 | 112.9 | F1750 Q1752 L1756 V1757 K1758 | F1750-H1754 HydrophobicContact CD1-CB 4.09Å; F1750-H1754 HydrophobicContact CE1-CB 3.7Å; F1750-H1754 AromaticContact CE1-CD2 3.61Å; F1750-H1754 AromaticContact CE1-CG 3.8Å; F1750-H1754 HydrophobicContact CE2-CB 4.27Å; F1750-H1754 HydrophobicContact CZ-CB 3.79Å; F1750-H1754 WeakPolarHBondContact O-CB 3.24Å; F1750-H1754 PolarHBondContact O-N 2.91Å; Q1752-H1754 PolarHBondContact O-N 2.96Å; H1754-L1756 PolarHBondContact O-N 2.75Å; H1754-V1757 PolarHBondContact O-N 2.91Å; H1754-K1758 WeakPolarHBondContact O-CG 3.21Å |
| 1755 | M | 66.5 | Low | 74.4 | Confident | 119 Ų | 119 | 48.6 Ų | 48.6 | 59% | 0.586 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -66.1 | -26 | 177.1 | -70.5 | -71.3 | -74.3 | 0 | 0 | 113 | Q1752 V1753 K1758 | Q1752-M1755 WeakPolarHBondContact O-CB 3.29Å; Q1752-M1755 PolarHBondContact O-N 2.84Å; V1753-M1755 PolarHBondContact O-N 3.36Å; M1755-K1758 WeakPolarHBondContact O-CE 3.25Å; M1755-K1758 WeakPolarHBondContact SD-CE 3.4Å; M1755-K1758 PolarHBondContact SD-NZ 3.28Å |
| 1756 | L | 69.8 | Low | 74.7 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -93.6 | -7.7 | -178.6 | -53.6 | 177.5 | 0 | 0 | 0 | 113.8 | F1718 Q1721 V1722 A1725 V1753 H1754 Y1762 F1766 | F1718-L1756 HydrophobicContact CD2-CD2 4.41Å; F1718-L1756 HydrophobicContact CE2-CB 4.26Å; F1718-L1756 HydrophobicContact CE2-CD2 4.16Å; Q1721-L1756 HydrophobicContact CB-CD1 4.4Å; Q1721-L1756 HydrophobicContact CB-CD2 3.8Å; V1722-L1756 HydrophobicContact CG2-CD1 4.26Å; A1725-L1756 HydrophobicContact CB-CD1 3.77Å; V1753-L1756 WeakPolarHBondContact O-CB 3.33Å; V1753-L1756 PolarHBondContact O-N 3.38Å; H1754-L1756 PolarHBondContact O-N 2.75Å; L1756-Y1762 WeakPolarHBondContact O-CB 3.41Å; L1756-F1766 HydrophobicContact CB-CD2 4.31Å |
| 1757 | V | 73.1 | Confident | 74.9 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | trans | -122.8 | 29.9 | -173.8 | -119.4 | 0 | 0 | 0 | 0 | 113.5 | V1753 H1754 T1759 L1763 F1766 M1810 | V1753-V1757 HydrophobicContact CG1-CG2 3.94Å; V1753-V1757 WeakPolarHBondContact O-CG2 3.4Å; H1754-V1757 PolarHBondContact O-N 2.91Å; V1757-T1759 PolarHBondContact O-N 3.32Å; V1757-L1763 HydrophobicContact CG1-CB 3.88Å; V1757-L1763 HydrophobicContact CG1-CD1 3.54Å; V1757-L1763 HydrophobicContact CG1-CG 4.33Å; V1757-F1766 HydrophobicContact CG1-CB 4.33Å; V1757-F1766 HydrophobicContact CG1-CG 4.43Å; V1757-M1810 HydrophobicContact CG1-CE 3.9Å; V1757-M1810 HydrophobicContact CG2-CE 4.09Å | ||
| 1758 | K | 69.6 | Low | 75.3 | Confident | 117 Ų | 117 | 45.5 Ų | 45.5 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -72.8 | -22.7 | -172 | -63.7 | -172.8 | -174.2 | -175.4 | 0 | 115.8 | H1754 M1755 | H1754-K1758 WeakPolarHBondContact O-CG 3.21Å; M1755-K1758 WeakPolarHBondContact O-CE 3.25Å; M1755-K1758 WeakPolarHBondContact SD-CE 3.4Å; M1755-K1758 PolarHBondContact SD-NZ 3.28Å |
| 1759 | T | 72.3 | Confident | 75.8 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -129.9 | 164 | -179.3 | 62.9 | 0 | 0 | 0 | 0 | 109.6 | V1757 D1761 Y1762 L1763 | V1757-T1759 PolarHBondContact O-N 3.32Å; T1759-D1761 VanDerWaalsContact C-N 3.31Å; T1759-D1761 PolarHBondContact O-N 3.42Å; T1759-Y1762 HydrophobicContact CG2-CD2 4.38Å; T1759-Y1762 PolarHBondContact O-N 2.83Å; T1759-Y1762 WeakPolarHBondContact OG1-CB 3.35Å; T1759-Y1762 WeakPolarHBondContact OG1-CD2 3.48Å; T1759-Y1762 PolarHBondContact OG1-N 3.22Å; T1759-Y1762 VanDerWaalsContact OG1-N 3.15Å; T1759-L1763 PolarHBondContact O-N 3.33Å |
| 1760 | Q | 70.7 | Confident | 76.6 | Confident | 89 Ų | 89 | 42 Ų | 42 | 42% | 0.416 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61 | -42 | 173.9 | -169.4 | -166.7 | -57.3 | 0 | 0 | 111.2 | Y1762 L1763 D1764 F1820 H1828 | Q1760-Y1762 VanDerWaalsContact C-N 3.28Å; Q1760-Y1762 PolarHBondContact O-N 3.1Å; Q1760-L1763 WeakPolarHBondContact O-CB 3.33Å; Q1760-L1763 PolarHBondContact O-N 2.86Å; Q1760-L1763 VanDerWaalsContact O-N 3.11Å; Q1760-D1764 PolarHBondContact O-N 2.97Å; Q1760-F1820 HydrophobicContact CB-CZ 4.12Å; Q1760-F1820 HydrophobicContact CG-CZ 3.9Å; Q1760-H1828 PolarHBondContact NE2-CE1 3.3Å; Q1760-H1828 VanDerWaalsContact NE2-CE1 3.32Å |
| 1761 | D | 73 | Confident | 77.3 | Confident | 97 Ų | 97 | 41.8 Ų | 41.8 | 52% | 0.519 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -38.2 | 178 | -46.7 | -80.1 | 0 | 0 | 0 | 112 | T1759 A1765 | T1759-D1761 VanDerWaalsContact C-N 3.31Å; T1759-D1761 PolarHBondContact O-N 3.42Å; D1761-A1765 WeakPolarHBondContact O-CB 3.5Å; D1761-A1765 PolarHBondContact O-N 3.21Å |
| 1762 | Y | 80.9 | Confident | 78.2 | Confident | 67 Ų | 67 | 38.9 Ų | 38.9 | 26% | 0.263 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -75.7 | -29.5 | 175.6 | -63.6 | -15.6 | 0 | 0 | 0 | 112.6 | F1718 L1756 T1759 Q1760 F1766 | F1718-Y1762 HydrophobicContact CE2-CG 4.45Å; F1718-Y1762 HydrophobicContact CZ-CG 4.46Å; L1756-Y1762 WeakPolarHBondContact O-CB 3.41Å; T1759-Y1762 HydrophobicContact CG2-CD2 4.38Å; T1759-Y1762 PolarHBondContact O-N 2.83Å; T1759-Y1762 WeakPolarHBondContact OG1-CB 3.35Å; T1759-Y1762 WeakPolarHBondContact OG1-CD2 3.48Å; T1759-Y1762 PolarHBondContact OG1-N 3.22Å; T1759-Y1762 VanDerWaalsContact OG1-N 3.15Å; Q1760-Y1762 VanDerWaalsContact C-N 3.28Å; Q1760-Y1762 PolarHBondContact O-N 3.1Å; Y1762-F1766 WeakPolarHBondContact O-CB 3.25Å; Y1762-F1766 PolarHBondContact O-N 3.47Å |
| 1763 | L | 80.3 | Confident | 79.2 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -51.9 | 169.5 | 173.6 | 65.2 | 0 | 0 | 0 | 111.3 | V1757 T1759 Q1760 A1765 F1766 V1767 M1810 F1825 H1828 | V1757-L1763 HydrophobicContact CG1-CB 3.88Å; V1757-L1763 HydrophobicContact CG1-CD1 3.54Å; V1757-L1763 HydrophobicContact CG1-CG 4.33Å; T1759-L1763 PolarHBondContact O-N 3.33Å; Q1760-L1763 WeakPolarHBondContact O-CB 3.33Å; Q1760-L1763 PolarHBondContact O-N 2.86Å; Q1760-L1763 VanDerWaalsContact O-N 3.11Å; L1763-A1765 VanDerWaalsContact C-N 3.32Å; L1763-A1765 PolarHBondContact O-N 3.14Å; L1763-F1766 PolarHBondContact O-N 3.37Å; L1763-V1767 HydrophobicContact CD1-CG2 4.16Å; L1763-V1767 WeakPolarHBondContact O-CG2 3.37Å; L1763-V1767 PolarHBondContact O-N 3.48Å; L1763-M1810 HydrophobicContact CD1-CE 4.26Å; L1763-F1825 HydrophobicContact CD1-CE1 4.33Å; L1763-F1825 HydrophobicContact CD1-CE2 3.74Å; L1763-F1825 HydrophobicContact CD1-CZ 3.52Å; L1763-F1825 HydrophobicContact CD2-CD2 3.82Å; L1763-F1825 HydrophobicContact CD2-CE2 3.49Å; L1763-F1825 VanDerWaalsContact CD2-CE2 3.49Å; L1763-F1825 HydrophobicContact CD2-CZ 4.11Å; L1763-F1825 HydrophobicContact CG-CE2 4.28Å; L1763-F1825 HydrophobicContact CG-CZ 4.49Å; L1763-H1828 HydrophobicContact CD2-CB 4.22Å |
| 1764 | D | 81.5 | Confident | 80.2 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -38.5 | -179.2 | -73.2 | -35.4 | 0 | 0 | 0 | 110.1 | Q1760 R1768 H1828 S1832 | Q1760-D1764 PolarHBondContact O-N 2.97Å; D1764-R1768 WeakPolarHBondContact O-CB 3.25Å; D1764-R1768 PolarHBondContact O-N 2.86Å; D1764-H1828 IonicContact OD1-CG 3.45Å; D1764-H1828 IonicContact OD1-ND1 3.3Å; D1764-H1828 PolarHBondContact OD1-ND1 2.97Å; D1764-H1828 IonicContact OD2-CE1 3.68Å; D1764-H1828 IonicContact OD2-ND1 3.28Å; D1764-H1828 PolarHBondContact OD2-ND1 3.42Å; D1764-S1832 WeakPolarHBondContact CB-OG 3.19Å; D1764-S1832 PolarHBondContact OD1-OG 2.82Å |
| 1765 | A | 83.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1714 F1718 D1761 L1763 R1768 I1769 | T1714-A1765 HydrophobicContact CG2-CB 3.76Å; F1718-A1765 HydrophobicContact CE1-CB 3.92Å; D1761-A1765 WeakPolarHBondContact O-CB 3.5Å; D1761-A1765 PolarHBondContact O-N 3.21Å; L1763-A1765 VanDerWaalsContact C-N 3.32Å; L1763-A1765 PolarHBondContact O-N 3.14Å; A1765-R1768 PolarHBondContact O-N 2.83Å; A1765-I1769 WeakPolarHBondContact O-CB 3.37Å; A1765-I1769 WeakPolarHBondContact O-CD1 3.33Å; A1765-I1769 VanDerWaalsContact O-CG1 3.22Å; A1765-I1769 WeakPolarHBondContact O-CG1 3.1Å; A1765-I1769 PolarHBondContact O-N 3.17Å |
| 1766 | F | 87.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 176.5 | 176.1 | -86.8 | 0 | 0 | 0 | 111.6 | V1722 V1753 L1756 V1757 Y1762 L1763 C1770 L1806 M1810 | V1722-F1766 HydrophobicContact CG1-CD2 3.91Å; V1722-F1766 HydrophobicContact CG1-CE2 4.07Å; V1722-F1766 HydrophobicContact CG2-CD2 3.91Å; V1753-F1766 HydrophobicContact CG1-CE2 4.37Å; V1753-F1766 HydrophobicContact CG1-CZ 4.23Å; L1756-F1766 HydrophobicContact CB-CD2 4.31Å; V1757-F1766 HydrophobicContact CG1-CB 4.33Å; V1757-F1766 HydrophobicContact CG1-CG 4.43Å; Y1762-F1766 WeakPolarHBondContact O-CB 3.25Å; Y1762-F1766 PolarHBondContact O-N 3.47Å; L1763-F1766 PolarHBondContact O-N 3.37Å; F1766-C1770 VanDerWaalsContact O-CB 3.32Å; F1766-C1770 WeakPolarHBondContact O-CB 3.5Å; F1766-C1770 PolarHBondContact O-N 2.89Å; F1766-C1770 PolarHBondContact O-SG 3.38Å; F1766-L1806 HydrophobicContact CE1-CD2 4.36Å; F1766-L1806 HydrophobicContact CZ-CD2 3.87Å; F1766-M1810 HydrophobicContact CD1-CE 4.21Å; F1766-M1810 HydrophobicContact CE1-CE 4.02Å; F1766-M1810 HydrophobicContact CE1-SD 4.08Å |
| 1767 | V | 88.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | L1763 T1771 Y1803 L1807 I1829 M1833 | L1763-V1767 HydrophobicContact CD1-CG2 4.16Å; L1763-V1767 WeakPolarHBondContact O-CG2 3.37Å; L1763-V1767 PolarHBondContact O-N 3.48Å; V1767-T1771 WeakPolarHBondContact O-CB 3.38Å; V1767-T1771 PolarHBondContact O-N 2.96Å; V1767-T1771 PolarHBondContact O-OG1 2.85Å; V1767-Y1803 PolarHBondContact O-OH 3.18Å; V1767-L1807 HydrophobicContact CG2-CD2 4.22Å; V1767-I1829 HydrophobicContact CG2-CG1 4.2Å; V1767-M1833 HydrophobicContact CG1-CG 4.33Å |
| 1768 | R | 88.6 | Confident | 82.6 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 15% | 0.151 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -55.1 | 177.1 | -175.7 | 174.7 | 76.4 | 89.8 | -8.4 | 111.6 | Q1711 D1764 A1765 C1770 T1771 E1772 V1836 | Q1711-R1768 VanDerWaalsContact OE1-CZ 3.28Å; D1764-R1768 WeakPolarHBondContact O-CB 3.25Å; D1764-R1768 PolarHBondContact O-N 2.86Å; A1765-R1768 PolarHBondContact O-N 2.83Å; R1768-C1770 PolarHBondContact O-N 2.75Å; R1768-T1771 PolarHBondContact O-N 3.5Å; R1768-E1772 VanDerWaalsContact CG-OE1 3.24Å; R1768-E1772 WeakPolarHBondContact CG-OE1 3.29Å; R1768-E1772 IonicContact CZ-OE1 3.72Å; R1768-E1772 IonicContact NE-OE1 2.68Å; R1768-E1772 IonicContact NH1-OE1 2.88Å; R1768-E1772 PolarHBondContact NH1-OE1 3.18Å; R1768-E1772 IonicContact NH1-OE2 3.52Å; R1768-E1772 WeakPolarHBondContact O-CB 3.41Å; R1768-E1772 WeakPolarHBondContact O-CG 3.17Å; R1768-E1772 PolarHBondContact O-N 2.94Å; R1768-V1836 HydrophobicContact CB-CG2 4.23Å; R1768-V1836 HydrophobicContact CG-CG2 3.57Å |
| 1769 | I | 87.3 | Confident | 83 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 9% | 0.087 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | -179.3 | -67.4 | 164.3 | 0 | 0 | 0 | 110.9 | F1718 A1719 V1722 A1765 T1771 E1772 M1773 | F1718-I1769 HydrophobicContact CD1-CD1 3.81Å; F1718-I1769 HydrophobicContact CE1-CD1 3.93Å; A1719-I1769 HydrophobicContact CB-CD1 4.43Å; V1722-I1769 HydrophobicContact CB-CG2 4.04Å; V1722-I1769 HydrophobicContact CG1-CB 4.09Å; V1722-I1769 HydrophobicContact CG1-CG2 3.66Å; A1765-I1769 WeakPolarHBondContact O-CB 3.37Å; A1765-I1769 WeakPolarHBondContact O-CD1 3.33Å; A1765-I1769 VanDerWaalsContact O-CG1 3.22Å; A1765-I1769 WeakPolarHBondContact O-CG1 3.1Å; A1765-I1769 PolarHBondContact O-N 3.17Å; I1769-T1771 VanDerWaalsContact C-N 3.32Å; I1769-T1771 PolarHBondContact O-N 2.81Å; I1769-E1772 PolarHBondContact O-N 2.93Å; I1769-M1773 HydrophobicContact CG2-CG 4.3Å; I1769-M1773 HydrophobicContact CG2-SD 4.15Å; I1769-M1773 VanDerWaalsContact O-CB 3.31Å; I1769-M1773 WeakPolarHBondContact O-CB 3.18Å; I1769-M1773 VanDerWaalsContact O-CG 3.25Å; I1769-M1773 WeakPolarHBondContact O-CG 3.44Å; I1769-M1773 PolarHBondContact O-N 3.38Å |
| 1770 | C | 90 | Very high | 83.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -36.6 | 176.3 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | V1722 L1726 F1766 R1768 C1774 Y1803 | V1722-C1770 VanDerWaalsContact CG1-SG 3.56Å; L1726-C1770 HydrophobicContact CD2-CB 4.33Å; F1766-C1770 VanDerWaalsContact O-CB 3.32Å; F1766-C1770 WeakPolarHBondContact O-CB 3.5Å; F1766-C1770 PolarHBondContact O-N 2.89Å; F1766-C1770 PolarHBondContact O-SG 3.38Å; R1768-C1770 PolarHBondContact O-N 2.75Å; C1770-C1774 WeakPolarHBondContact O-CB 3.32Å; C1770-C1774 PolarHBondContact O-N 3.28Å; C1770-C1774 PolarHBondContact O-SG 2.98Å; C1770-Y1803 HydrophobicContact CB-CD2 3.75Å; C1770-Y1803 HydrophobicContact CB-CE2 3.21Å |
| 1771 | T | 90.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.4 | -48.3 | 175.8 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | V1767 R1768 I1769 M1773 C1774 V1775 Y1803 V1836 M1856 | V1767-T1771 WeakPolarHBondContact O-CB 3.38Å; V1767-T1771 PolarHBondContact O-N 2.96Å; V1767-T1771 PolarHBondContact O-OG1 2.85Å; R1768-T1771 PolarHBondContact O-N 3.5Å; I1769-T1771 VanDerWaalsContact C-N 3.32Å; I1769-T1771 PolarHBondContact O-N 2.81Å; T1771-M1773 VanDerWaalsContact C-N 3.34Å; T1771-M1773 PolarHBondContact O-N 2.97Å; T1771-C1774 PolarHBondContact O-N 3Å; T1771-V1775 WeakPolarHBondContact O-CG2 3.49Å; T1771-V1775 PolarHBondContact O-N 2.85Å; T1771-Y1803 PolarHBondContact OG1-OH 3.33Å; T1771-Y1803 VanDerWaalsContact OG1-OH 3.09Å; T1771-V1836 HydrophobicContact CG2-CB 4Å; T1771-V1836 HydrophobicContact CG2-CG1 3.94Å; T1771-V1836 HydrophobicContact CG2-CG2 4.25Å; T1771-M1856 HydrophobicContact CG2-CE 4.24Å; T1771-M1856 HydrophobicContact CG2-SD 4.3Å |
| 1772 | E | 87 | Confident | 83.4 | Confident | 20 Ų | 20 | 24.1 Ų | 24.1 | 9% | 0.093 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.2 | -49.6 | 173.3 | -73.8 | 172.6 | -167 | 0 | 0 | 110.7 | R1708 R1768 I1769 C1774 V1775 D1776 V1836 | R1708-E1772 IonicContact CZ-OE2 2.78Å; R1708-E1772 IonicContact NE-OE2 3.84Å; R1708-E1772 IonicContact NH1-OE2 2.75Å; R1708-E1772 PolarHBondContact NH1-OE2 3.33Å; R1768-E1772 VanDerWaalsContact CG-OE1 3.24Å; R1768-E1772 WeakPolarHBondContact CG-OE1 3.29Å; R1768-E1772 IonicContact CZ-OE1 3.72Å; R1768-E1772 IonicContact NE-OE1 2.68Å; R1768-E1772 IonicContact NH1-OE1 2.88Å; R1768-E1772 PolarHBondContact NH1-OE1 3.18Å; R1768-E1772 IonicContact NH1-OE2 3.52Å; R1768-E1772 WeakPolarHBondContact O-CB 3.41Å; R1768-E1772 WeakPolarHBondContact O-CG 3.17Å; R1768-E1772 PolarHBondContact O-N 2.94Å; I1769-E1772 PolarHBondContact O-N 2.93Å; E1772-C1774 PolarHBondContact O-N 2.7Å; E1772-V1775 PolarHBondContact O-N 3.36Å; E1772-D1776 WeakPolarHBondContact O-CB 3.4Å; E1772-D1776 PolarHBondContact O-N 3.21Å; E1772-V1836 HydrophobicContact CG-CG1 3.85Å; E1772-V1836 HydrophobicContact CG-CG2 3.93Å |
| 1773 | M | 86.5 | Confident | 82.9 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 16% | 0.158 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 176.2 | -77.9 | -176.1 | 73.2 | 0 | 0 | 113 | E1723 L1726 I1769 T1771 L1777 | E1723-M1773 HydrophobicContact CB-CE 3.54Å; E1723-M1773 HydrophobicContact CB-SD 3.81Å; E1723-M1773 HydrophobicContact CG-CE 3.5Å; E1723-M1773 VanDerWaalsContact CG-CE 3.5Å; E1723-M1773 HydrophobicContact CG-SD 4.44Å; L1726-M1773 HydrophobicContact CD2-CB 4.27Å; L1726-M1773 HydrophobicContact CD2-CE 4.05Å; L1726-M1773 HydrophobicContact CD2-SD 4.04Å; I1769-M1773 HydrophobicContact CG2-CG 4.3Å; I1769-M1773 HydrophobicContact CG2-SD 4.15Å; I1769-M1773 VanDerWaalsContact O-CB 3.31Å; I1769-M1773 WeakPolarHBondContact O-CB 3.18Å; I1769-M1773 VanDerWaalsContact O-CG 3.25Å; I1769-M1773 WeakPolarHBondContact O-CG 3.44Å; I1769-M1773 PolarHBondContact O-N 3.38Å; T1771-M1773 VanDerWaalsContact C-N 3.34Å; T1771-M1773 PolarHBondContact O-N 2.97Å; M1773-L1777 WeakPolarHBondContact O-CB 3.25Å; M1773-L1777 PolarHBondContact O-N 3.28Å |
| 1774 | C | 87.6 | Confident | 82.2 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.034 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 177.9 | -71.4 | 0 | 0 | 0 | 0 | 111.4 | C1770 T1771 E1772 C1778 | C1770-C1774 WeakPolarHBondContact O-CB 3.32Å; C1770-C1774 PolarHBondContact O-N 3.28Å; C1770-C1774 PolarHBondContact O-SG 2.98Å; T1771-C1774 PolarHBondContact O-N 3Å; E1772-C1774 PolarHBondContact O-N 2.7Å; C1774-C1778 VanDerWaalsContact O-CB 3.3Å; C1774-C1778 WeakPolarHBondContact O-CB 3.49Å; C1774-C1778 PolarHBondContact O-N 2.83Å; C1774-C1778 PolarHBondContact O-SG 2.92Å |
| 1775 | V | 84.7 | Confident | 81 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 7% | 0.073 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -51.3 | 174.1 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | T1771 E1772 L1777 C1778 H1779 L1837 | T1771-V1775 WeakPolarHBondContact O-CG2 3.49Å; T1771-V1775 PolarHBondContact O-N 2.85Å; E1772-V1775 PolarHBondContact O-N 3.36Å; V1775-L1777 VanDerWaalsContact C-N 3.33Å; V1775-L1777 PolarHBondContact O-N 3.07Å; V1775-C1778 CarbonylContact O-C 3.58Å; V1775-C1778 PolarHBondContact O-N 2.68Å; V1775-C1778 VanDerWaalsContact O-N 3.12Å; V1775-H1779 PolarHBondContact O-CD2 3.31Å; V1775-H1779 VanDerWaalsContact O-CD2 3.31Å; V1775-H1779 PolarHBondContact O-N 2.99Å; V1775-L1837 HydrophobicContact CG2-CD2 4.45Å |
| 1776 | D | 84 | Confident | 79.6 | Confident | 40 Ų | 40 | 28.4 Ų | 28.4 | 21% | 0.214 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -33.6 | 179.9 | -76.6 | -37.2 | 0 | 0 | 0 | 112.8 | R1708 E1772 R1780 R1844 | R1708-D1776 IonicContact CZ-OD2 3.29Å; R1708-D1776 IonicContact NH2-OD2 3.87Å; R1708-D1776 PolarHBondContact NH2-OD2 3.23Å; E1772-D1776 WeakPolarHBondContact O-CB 3.4Å; E1772-D1776 PolarHBondContact O-N 3.21Å; D1776-R1780 WeakPolarHBondContact O-CB 3.41Å; D1776-R1780 VanDerWaalsContact O-CG 3.28Å; D1776-R1780 WeakPolarHBondContact O-CG 3.48Å; D1776-R1780 PolarHBondContact O-N 2.82Å; D1776-R1780 PolarHBondContact O-NE 3.19Å; D1776-R1844 IonicContact OD1-CZ 3.99Å; D1776-R1844 IonicContact OD1-NH1 3.08Å; D1776-R1844 PolarHBondContact OD1-NH1 3.43Å; D1776-R1844 IonicContact OD1-NH2 3.65Å; D1776-R1844 PolarHBondContact OD1-NH2 2.75Å |
| 1777 | L | 82.5 | Confident | 78 | Confident | 47 Ų | 47 | 29 Ų | 29 | 25% | 0.246 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.7 | -47 | 170.2 | 179.6 | 63 | 0 | 0 | 0 | 110.8 | M1773 V1775 H1779 R1780 I1781 T1799 | M1773-L1777 WeakPolarHBondContact O-CB 3.25Å; M1773-L1777 PolarHBondContact O-N 3.28Å; V1775-L1777 VanDerWaalsContact C-N 3.33Å; V1775-L1777 PolarHBondContact O-N 3.07Å; L1777-H1779 VanDerWaalsContact C-N 3.32Å; L1777-H1779 PolarHBondContact O-N 3.1Å; L1777-R1780 PolarHBondContact O-N 2.92Å; L1777-I1781 HydrophobicContact CD1-CD1 3.71Å; L1777-I1781 HydrophobicContact CD1-CG1 4.03Å; L1777-I1781 HydrophobicContact CD2-CD1 4.26Å; L1777-I1781 HydrophobicContact CG-CD1 3.61Å; L1777-I1781 HydrophobicContact CG-CG1 4.29Å; L1777-I1781 WeakPolarHBondContact O-CB 3.43Å; L1777-I1781 VanDerWaalsContact O-CG1 3.22Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.36Å; L1777-I1781 PolarHBondContact O-N 3.38Å; L1777-T1799 HydrophobicContact CD2-CG2 3.62Å; L1777-T1799 WeakPolarHBondContact CD2-OG1 3.26Å |
| 1778 | C | 78.2 | Confident | 76.8 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -33.1 | 178.8 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | C1774 V1775 M1782 P1852 | C1774-C1778 VanDerWaalsContact O-CB 3.3Å; C1774-C1778 WeakPolarHBondContact O-CB 3.49Å; C1774-C1778 PolarHBondContact O-N 2.83Å; C1774-C1778 PolarHBondContact O-SG 2.92Å; V1775-C1778 CarbonylContact O-C 3.58Å; V1775-C1778 PolarHBondContact O-N 2.68Å; V1775-C1778 VanDerWaalsContact O-N 3.12Å; C1778-M1782 WeakPolarHBondContact O-CB 3.41Å; C1778-M1782 VanDerWaalsContact O-CG 3.26Å; C1778-M1782 WeakPolarHBondContact O-CG 3.22Å; C1778-M1782 PolarHBondContact O-N 3.49Å; C1778-P1852 HydrophobicContact CB-CB 3.94Å; C1778-P1852 HydrophobicContact CB-CG 3.43Å; C1778-P1852 VanDerWaalsContact CB-CG 3.43Å |
| 1779 | H | 78.3 | Confident | 75.7 | Confident | 21 Ų | 21 | 28.3 Ų | 28.3 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | 172 | -88.3 | -105.5 | 0 | 0 | 0 | 111.9 | V1775 L1777 M1782 S1783 R1844 E1847 M1848 R1849 | V1775-H1779 PolarHBondContact O-CD2 3.31Å; V1775-H1779 VanDerWaalsContact O-CD2 3.31Å; V1775-H1779 PolarHBondContact O-N 2.99Å; L1777-H1779 VanDerWaalsContact C-N 3.32Å; L1777-H1779 PolarHBondContact O-N 3.1Å; H1779-M1782 CarbonylContact O-C 3.47Å; H1779-M1782 PolarHBondContact O-N 3.15Å; H1779-S1783 WeakPolarHBondContact O-CB 3.45Å; H1779-S1783 PolarHBondContact O-N 2.93Å; H1779-S1783 PolarHBondContact O-OG 3.39Å; H1779-R1844 VanDerWaalsContact CE1-CD 3.45Å; H1779-R1844 WeakPolarHBondContact CE1-CD 3.42Å; H1779-E1847 VanDerWaalsContact CE1-C 3.44Å; H1779-E1847 PolarHBondContact CE1-O 3.13Å; H1779-E1847 VanDerWaalsContact CE1-O 3.31Å; H1779-M1848 VanDerWaalsContact CE1-CA 3.45Å; H1779-M1848 WeakPolarHBondContact CE1-CA 3.32Å; H1779-M1848 PolarHBondContact CE1-N 3.34Å; H1779-M1848 WeakPolarHBondContact NE2-CA 3.07Å; H1779-R1849 PolarHBondContact NE2-N 3.17Å; H1779-R1849 VanDerWaalsContact NE2-N 3.16Å |
| 1780 | R | 80.1 | Confident | 74.6 | Confident | 144 Ų | 144 | 27.8 Ų | 27.8 | 54% | 0.543 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 174.6 | -76 | 175.3 | -69.8 | 176.9 | -1.3 | 111.6 | D1776 L1777 S1783 D1784 | D1776-R1780 WeakPolarHBondContact O-CB 3.41Å; D1776-R1780 VanDerWaalsContact O-CG 3.28Å; D1776-R1780 WeakPolarHBondContact O-CG 3.48Å; D1776-R1780 PolarHBondContact O-N 2.82Å; D1776-R1780 PolarHBondContact O-NE 3.19Å; L1777-R1780 PolarHBondContact O-N 2.92Å; R1780-S1783 PolarHBondContact O-N 3.2Å; R1780-S1783 PolarHBondContact O-OG 2.9Å; R1780-D1784 PolarHBondContact O-N 3.41Å |
| 1781 | I | 75 | Confident | 73.8 | Confident | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -53 | 174.6 | -68.7 | 171.4 | 0 | 0 | 0 | 109.7 | L1777 S1783 D1784 L1792 R1795 C1796 | L1777-I1781 HydrophobicContact CD1-CD1 3.71Å; L1777-I1781 HydrophobicContact CD1-CG1 4.03Å; L1777-I1781 HydrophobicContact CD2-CD1 4.26Å; L1777-I1781 HydrophobicContact CG-CD1 3.61Å; L1777-I1781 HydrophobicContact CG-CG1 4.29Å; L1777-I1781 WeakPolarHBondContact O-CB 3.43Å; L1777-I1781 VanDerWaalsContact O-CG1 3.22Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.36Å; L1777-I1781 PolarHBondContact O-N 3.38Å; I1781-S1783 PolarHBondContact O-N 2.88Å; I1781-D1784 VanDerWaalsContact O-CB 3.29Å; I1781-D1784 WeakPolarHBondContact O-CB 3.48Å; I1781-D1784 PolarHBondContact O-N 2.9Å; I1781-L1792 HydrophobicContact CG2-CB 3.62Å; I1781-L1792 HydrophobicContact CG2-CD2 3.49Å; I1781-L1792 VanDerWaalsContact CG2-CD2 3.49Å; I1781-L1792 HydrophobicContact CG2-CG 4.07Å; I1781-L1792 WeakPolarHBondContact O-CD1 3.23Å; I1781-L1792 VanDerWaalsContact O-CD2 3.29Å; I1781-L1792 WeakPolarHBondContact O-CD2 3.35Å; I1781-R1795 HydrophobicContact CD1-CB 3.88Å; I1781-R1795 HydrophobicContact CG2-CB 4.14Å; I1781-C1796 VanDerWaalsContact CG2-SG 3.58Å |
| 1782 | M | 69.7 | Low | 72.8 | Confident | 20 Ų | 20 | 31 Ų | 31 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 13.3 | 179.4 | -62.9 | -171.8 | 71.4 | 0 | 0 | 115.2 | L867 Q870 C1778 H1779 I1789 R1849 | L867-M1782 WeakPolarHBondContact CD1-O 3.4Å; Q870-M1782 PolarHBondContact OE1-O 2.82Å; C1778-M1782 WeakPolarHBondContact O-CB 3.41Å; C1778-M1782 VanDerWaalsContact O-CG 3.26Å; C1778-M1782 WeakPolarHBondContact O-CG 3.22Å; C1778-M1782 PolarHBondContact O-N 3.49Å; H1779-M1782 CarbonylContact O-C 3.47Å; H1779-M1782 PolarHBondContact O-N 3.15Å; M1782-I1789 HydrophobicContact CE-CG2 3.98Å; M1782-R1849 HydrophobicContact CB-CG 4.02Å; M1782-R1849 HydrophobicContact CE-CG 4.25Å; M1782-R1849 HydrophobicContact CG-CG 4.4Å; M1782-R1849 HydrophobicContact SD-CB 3.83Å; M1782-R1849 HydrophobicContact SD-CG 3.67Å |
| 1783 | S | 70 | Confident | 72.2 | Confident | 58 Ų | 58 | 31.6 Ų | 31.6 | 41% | 0.406 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -3.6 | 163.8 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | H1779 R1780 I1781 Q1785 | H1779-S1783 WeakPolarHBondContact O-CB 3.45Å; H1779-S1783 PolarHBondContact O-N 2.93Å; H1779-S1783 PolarHBondContact O-OG 3.39Å; R1780-S1783 PolarHBondContact O-N 3.2Å; R1780-S1783 PolarHBondContact O-OG 2.9Å; I1781-S1783 PolarHBondContact O-N 2.88Å; S1783-Q1785 VanDerWaalsContact O-CG 3.3Å; S1783-Q1785 WeakPolarHBondContact O-CG 3.24Å; S1783-Q1785 PolarHBondContact O-NE2 2.84Å |
| 1784 | D | 66.1 | Low | 71.8 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | trans | -99.6 | 120 | 178.1 | -177.8 | 39.3 | 0 | 0 | 0 | 110 | K864 R1780 I1781 L1792 R1795 | K864-D1784 WeakPolarHBondContact CE-OD1 3.43Å; K864-D1784 IonicContact NZ-OD1 3.73Å; K864-D1784 PolarHBondContact NZ-OD1 3.43Å; K864-D1784 IonicContact NZ-OD2 3.92Å; K864-D1784 PolarHBondContact NZ-OD2 2.7Å; R1780-D1784 PolarHBondContact O-N 3.41Å; I1781-D1784 VanDerWaalsContact O-CB 3.29Å; I1781-D1784 WeakPolarHBondContact O-CB 3.48Å; I1781-D1784 PolarHBondContact O-N 2.9Å; D1784-L1792 HydrophobicContact CB-CD2 4.46Å; D1784-L1792 WeakPolarHBondContact O-CD1 3.35Å; D1784-L1792 WeakPolarHBondContact O-CD2 3.38Å; D1784-R1795 IonicContact OD2-CZ 3.6Å; D1784-R1795 IonicContact OD2-NH1 3.73Å; D1784-R1795 PolarHBondContact OD2-NH1 2.86Å; D1784-R1795 IonicContact OD2-NH2 3.91Å | ||
| 1785 | Q | 56.5 | Low | 71.3 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | trans | -109.1 | -42.2 | -143.4 | -18.9 | -170.9 | -8.5 | 0 | 0 | 117.8 | T862 D863 K864 L867 S1783 A1787 S1788 | T862-Q1785 CarbonylContact C-O 2.93Å; T862-Q1785 VanDerWaalsContact O-O 3.09Å; D863-Q1785 CarbonylContact C-O 3.53Å; D863-Q1785 WeakPolarHBondContact CA-O 3.41Å; D863-Q1785 PolarHBondContact N-O 3.32Å; D863-Q1785 CarbonylContact O-C 3.59Å; D863-Q1785 WeakPolarHBondContact O-CB 3.33Å; K864-Q1785 VanDerWaalsContact C-OE1 3.32Å; K864-Q1785 HydrophobicContact CB-CB 4.15Å; K864-Q1785 HydrophobicContact CG-CB 3.6Å; K864-Q1785 HydrophobicContact CG-CG 3.73Å; K864-Q1785 VanDerWaalsContact O-CD 3.28Å; K864-Q1785 PolarHBondContact O-OE1 3.45Å; L867-Q1785 VanDerWaalsContact C-CD 3.49Å; L867-Q1785 VanDerWaalsContact C-NE2 3.3Å; L867-Q1785 HydrophobicContact CB-CB 3.94Å; L867-Q1785 HydrophobicContact CB-CG 3.75Å; L867-Q1785 HydrophobicContact CD1-CB 3.99Å; L867-Q1785 HydrophobicContact CD1-CG 4.32Å; L867-Q1785 HydrophobicContact CG-CB 3.91Å; L867-Q1785 HydrophobicContact CG-CG 4.26Å; S1783-Q1785 VanDerWaalsContact O-CG 3.3Å; S1783-Q1785 WeakPolarHBondContact O-CG 3.24Å; S1783-Q1785 PolarHBondContact O-NE2 2.84Å; Q1785-A1787 VanDerWaalsContact C-N 3.27Å; Q1785-A1787 CarbonylContact C-O 3.18Å; Q1785-A1787 CarbonylContact O-C 2.99Å; Q1785-A1787 VanDerWaalsContact O-C 3.23Å; Q1785-A1787 VanDerWaalsContact O-O 3.06Å; Q1785-S1788 PolarHBondContact O-N 3.08Å | ||
| 1786 | S | 52.4 | Low | 71.2 | Confident | 63 Ų | 63 | 37.2 Ų | 37.2 | 44% | 0.441 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -81.6 | -4.1 | 171.8 | 66.2 | 0 | 0 | 0 | 0 | 114.3 | D863 K864 S1788 | D863-S1786 VanDerWaalsContact C-N 3.32Å; K864-S1786 VanDerWaalsContact CB-N 3.28Å; K864-S1786 WeakPolarHBondContact CB-OG 3.22Å; K864-S1786 WeakPolarHBondContact CE-OG 3.24Å; K864-S1786 VanDerWaalsContact N-CA 3.32Å; K864-S1786 VanDerWaalsContact N-CB 3.3Å; S1786-S1788 PolarHBondContact O-N 2.81Å |
| 1787 | A | 55 | Low | 71.2 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -70.9 | 90.4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | Q1785 I1789 V1791 L1792 | Q1785-A1787 VanDerWaalsContact C-N 3.27Å; Q1785-A1787 CarbonylContact C-O 3.18Å; Q1785-A1787 CarbonylContact O-C 2.99Å; Q1785-A1787 VanDerWaalsContact O-C 3.23Å; Q1785-A1787 VanDerWaalsContact O-O 3.06Å; A1787-I1789 PolarHBondContact O-N 2.63Å; A1787-V1791 HydrophobicContact CB-CB 4.15Å; A1787-V1791 HydrophobicContact CB-CG1 3.79Å; A1787-L1792 HydrophobicContact CB-CD2 3.4Å; A1787-L1792 HydrophobicContact CB-CG 4.09Å; A1787-L1792 VanDerWaalsContact O-CD1 3.3Å; A1787-L1792 WeakPolarHBondContact O-CD1 3.31Å; A1787-L1792 WeakPolarHBondContact O-CG 3.48Å |
| 1788 | S | 62.6 | Low | 71.4 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | 27.2 | 96.3 | 108 | 154.6 | 0 | 0 | 0 | 0 | 110.9 | V859 N860 T862 Q1785 S1786 D1790 V1791 L1792 | V859-S1788 CarbonylContact O-C 3.57Å; N860-S1788 WeakPolarHBondContact CA-OG 3.46Å; N860-S1788 WeakPolarHBondContact O-CB 3.12Å; N860-S1788 PolarHBondContact O-OG 3.31Å; N860-S1788 PolarHBondContact OD1-OG 3.46Å; T862-S1788 PolarHBondContact O-N 3.47Å; Q1785-S1788 PolarHBondContact O-N 3.08Å; S1786-S1788 PolarHBondContact O-N 2.81Å; S1788-D1790 PolarHBondContact O-N 3.02Å; S1788-V1791 CarbonylContact O-C 3.35Å; S1788-V1791 WeakPolarHBondContact O-CA 3.22Å; S1788-V1791 WeakPolarHBondContact O-CB 3.46Å; S1788-V1791 PolarHBondContact O-N 2.75Å; S1788-V1791 WeakPolarHBondContact OG-CB 3.13Å; S1788-V1791 VanDerWaalsContact OG-CG2 3.27Å; S1788-V1791 WeakPolarHBondContact OG-CG2 3.48Å; S1788-V1791 PolarHBondContact OG-N 2.9Å; S1788-L1792 WeakPolarHBondContact O-CG 3.45Å; S1788-L1792 PolarHBondContact O-N 2.91Å | |||
| 1789 | I | 65.3 | Low | 71.8 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -1.4 | -174.6 | -58.8 | 157.2 | 0 | 0 | 0 | 112.7 | V859 T862 L867 M1782 A1787 L1792 R1793 | V859-I1789 HydrophobicContact CB-CB 4.43Å; V859-I1789 HydrophobicContact CG1-CB 3.26Å; V859-I1789 HydrophobicContact CG1-CD1 4.42Å; V859-I1789 HydrophobicContact CG1-CG1 4.46Å; V859-I1789 HydrophobicContact CG1-CG2 3.29Å; V859-I1789 WeakPolarHBondContact O-CA 3.49Å; V859-I1789 PolarHBondContact O-N 3.25Å; T862-I1789 HydrophobicContact CG2-CD1 3.66Å; T862-I1789 HydrophobicContact CG2-CG1 3.8Å; T862-I1789 VanDerWaalsContact OG1-CD1 3.28Å; T862-I1789 WeakPolarHBondContact OG1-CD1 3.27Å; L867-I1789 HydrophobicContact CD1-CG1 4.24Å; L867-I1789 HydrophobicContact CD2-CD1 4.04Å; L867-I1789 HydrophobicContact CD2-CG1 4.44Å; M1782-I1789 HydrophobicContact CE-CG2 3.98Å; A1787-I1789 PolarHBondContact O-N 2.63Å; I1789-L1792 HydrophobicContact CB-CB 4.44Å; I1789-L1792 HydrophobicContact CB-CD1 3.99Å; I1789-L1792 HydrophobicContact CB-CG 4.45Å; I1789-L1792 HydrophobicContact CG1-CD1 3.72Å; I1789-L1792 HydrophobicContact CG2-CB 4.3Å; I1789-L1792 HydrophobicContact CG2-CD1 4.21Å; I1789-L1792 CarbonylContact O-C 2.92Å; I1789-L1792 WeakPolarHBondContact O-CB 3.48Å; I1789-R1793 WeakPolarHBondContact O-CG 3.4Å; I1789-R1793 PolarHBondContact O-N 2.86Å |
| 1790 | D | 65.3 | Low | 72.4 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -112.3 | -8.9 | 164.4 | -39.4 | -54.1 | 0 | 0 | 0 | 116.2 | D856 V859 N860 S1788 R1793 A1794 | D856-D1790 WeakPolarHBondContact CA-OD2 3.27Å; V859-D1790 WeakPolarHBondContact CB-OD2 3.46Å; V859-D1790 WeakPolarHBondContact CG1-OD1 3.42Å; N860-D1790 WeakPolarHBondContact CA-OD2 3.42Å; N860-D1790 HydrophobicContact CB-CB 3.71Å; N860-D1790 WeakPolarHBondContact CB-OD2 3.35Å; N860-D1790 PolarHBondContact N-OD2 3.45Å; S1788-D1790 PolarHBondContact O-N 3.02Å; D1790-R1793 HydrophobicContact CB-CB 3.96Å; D1790-R1793 HydrophobicContact CB-CG 4.44Å; D1790-R1793 WeakPolarHBondContact OD1-CD 3.46Å; D1790-R1793 WeakPolarHBondContact OD1-CG 3.5Å; D1790-R1793 IonicContact OD1-CZ 3.86Å; D1790-R1793 IonicContact OD1-NE 3.38Å; D1790-R1793 PolarHBondContact OD1-NE 3.48Å; D1790-R1793 IonicContact OD1-NH1 2.7Å; D1790-R1793 IonicContact OD1-NH2 2.86Å; D1790-R1793 PolarHBondContact OD1-NH2 3.31Å; D1790-A1794 WeakPolarHBondContact O-CA 3.47Å; D1790-A1794 WeakPolarHBondContact O-CB 3.3Å; D1790-A1794 PolarHBondContact O-N 3Å |
| 1791 | V | 72 | Confident | 72.9 | Confident | 66 Ų | 66 | 32 Ų | 32 | 40% | 0.4 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -33.5 | 141.1 | 169.4 | 0 | 0 | 0 | 0 | 108.3 | N860 A1787 S1788 R1795 | N860-V1791 PolarHBondContact OD1-N 3.23Å; A1787-V1791 HydrophobicContact CB-CB 4.15Å; A1787-V1791 HydrophobicContact CB-CG1 3.79Å; S1788-V1791 CarbonylContact O-C 3.35Å; S1788-V1791 WeakPolarHBondContact O-CA 3.22Å; S1788-V1791 WeakPolarHBondContact O-CB 3.46Å; S1788-V1791 PolarHBondContact O-N 2.75Å; S1788-V1791 WeakPolarHBondContact OG-CB 3.13Å; S1788-V1791 VanDerWaalsContact OG-CG2 3.27Å; S1788-V1791 WeakPolarHBondContact OG-CG2 3.48Å; S1788-V1791 PolarHBondContact OG-N 2.9Å; V1791-R1795 HydrophobicContact CG1-CG 4.37Å; V1791-R1795 WeakPolarHBondContact O-CB 3.37Å; V1791-R1795 WeakPolarHBondContact O-CD 3.34Å; V1791-R1795 WeakPolarHBondContact O-CG 3.48Å; V1791-R1795 PolarHBondContact O-N 2.71Å |
| 1792 | L | 69.4 | Low | 73.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71 | -49.4 | 169.8 | -51.1 | -179.7 | 0 | 0 | 0 | 112.5 | L867 I1781 D1784 A1787 S1788 I1789 A1794 R1795 C1796 | L867-L1792 HydrophobicContact CD1-CD1 3.9Å; I1781-L1792 HydrophobicContact CG2-CB 3.62Å; I1781-L1792 HydrophobicContact CG2-CD2 3.49Å; I1781-L1792 VanDerWaalsContact CG2-CD2 3.49Å; I1781-L1792 HydrophobicContact CG2-CG 4.07Å; I1781-L1792 WeakPolarHBondContact O-CD1 3.23Å; I1781-L1792 VanDerWaalsContact O-CD2 3.29Å; I1781-L1792 WeakPolarHBondContact O-CD2 3.35Å; D1784-L1792 HydrophobicContact CB-CD2 4.46Å; D1784-L1792 WeakPolarHBondContact O-CD1 3.35Å; D1784-L1792 WeakPolarHBondContact O-CD2 3.38Å; A1787-L1792 HydrophobicContact CB-CD2 3.4Å; A1787-L1792 HydrophobicContact CB-CG 4.09Å; A1787-L1792 VanDerWaalsContact O-CD1 3.3Å; A1787-L1792 WeakPolarHBondContact O-CD1 3.31Å; A1787-L1792 WeakPolarHBondContact O-CG 3.48Å; S1788-L1792 WeakPolarHBondContact O-CG 3.45Å; S1788-L1792 PolarHBondContact O-N 2.91Å; I1789-L1792 HydrophobicContact CB-CB 4.44Å; I1789-L1792 HydrophobicContact CB-CD1 3.99Å; I1789-L1792 HydrophobicContact CB-CG 4.45Å; I1789-L1792 HydrophobicContact CG1-CD1 3.72Å; I1789-L1792 HydrophobicContact CG2-CB 4.3Å; I1789-L1792 HydrophobicContact CG2-CD1 4.21Å; I1789-L1792 CarbonylContact O-C 2.92Å; I1789-L1792 WeakPolarHBondContact O-CB 3.48Å; L1792-A1794 VanDerWaalsContact C-N 3.32Å; L1792-A1794 PolarHBondContact O-N 3.43Å; L1792-R1795 PolarHBondContact O-N 3.26Å; L1792-C1796 VanDerWaalsContact O-CB 3.31Å; L1792-C1796 WeakPolarHBondContact O-CB 3.43Å; L1792-C1796 PolarHBondContact O-N 2.7Å; L1792-C1796 PolarHBondContact O-SG 3.23Å |
| 1793 | R | 75.8 | Confident | 74.8 | Confident | 33 Ų | 33 | 30.6 Ų | 30.6 | 13% | 0.125 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 173.8 | -76.3 | -171.3 | -150.7 | 152.4 | 16.1 | 110.6 | I855 D856 V859 I1789 D1790 C1796 S1797 L1851 | I855-R1793 PolarHBondContact O-NH1 3.3Å; I855-R1793 VanDerWaalsContact O-NH1 3.08Å; I855-R1793 PolarHBondContact O-NH2 3.02Å; D856-R1793 IonicContact OD1-CZ 3.99Å; D856-R1793 IonicContact OD1-NE 2.85Å; D856-R1793 IonicContact OD1-NH1 3.12Å; D856-R1793 PolarHBondContact OD1-NH1 3.48Å; V859-R1793 VanDerWaalsContact CG1-NH2 3.33Å; V859-R1793 VanDerWaalsContact CG2-NH2 3.25Å; I1789-R1793 WeakPolarHBondContact O-CG 3.4Å; I1789-R1793 PolarHBondContact O-N 2.86Å; D1790-R1793 HydrophobicContact CB-CB 3.96Å; D1790-R1793 HydrophobicContact CB-CG 4.44Å; D1790-R1793 WeakPolarHBondContact OD1-CD 3.46Å; D1790-R1793 WeakPolarHBondContact OD1-CG 3.5Å; D1790-R1793 IonicContact OD1-CZ 3.86Å; D1790-R1793 IonicContact OD1-NE 3.38Å; D1790-R1793 PolarHBondContact OD1-NE 3.48Å; D1790-R1793 IonicContact OD1-NH1 2.7Å; D1790-R1793 IonicContact OD1-NH2 2.86Å; D1790-R1793 PolarHBondContact OD1-NH2 3.31Å; R1793-C1796 PolarHBondContact O-N 3.03Å; R1793-S1797 WeakPolarHBondContact O-CA 3.48Å; R1793-S1797 WeakPolarHBondContact O-CB 3.48Å; R1793-S1797 PolarHBondContact O-N 3Å; R1793-S1797 PolarHBondContact O-OG 3.36Å; R1793-L1851 HydrophobicContact CG-CD2 3.91Å |
| 1794 | A | 77.2 | Confident | 75.9 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 48% | 0.479 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1790 L1792 C1796 S1797 H1798 | D1790-A1794 WeakPolarHBondContact O-CA 3.47Å; D1790-A1794 WeakPolarHBondContact O-CB 3.3Å; D1790-A1794 PolarHBondContact O-N 3Å; L1792-A1794 VanDerWaalsContact C-N 3.32Å; L1792-A1794 PolarHBondContact O-N 3.43Å; A1794-C1796 PolarHBondContact O-N 3.14Å; A1794-S1797 PolarHBondContact O-N 3.03Å; A1794-H1798 WeakPolarHBondContact O-CB 3.49Å; A1794-H1798 PolarHBondContact O-N 2.84Å |
| 1795 | R | 78.2 | Confident | 77.1 | Confident | 104 Ų | 104 | 26.2 Ų | 26.2 | 39% | 0.392 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 175.2 | -71.9 | 162.3 | 70.9 | -166.3 | 5.8 | 112.6 | I1781 D1784 V1791 L1792 | I1781-R1795 HydrophobicContact CD1-CB 3.88Å; I1781-R1795 HydrophobicContact CG2-CB 4.14Å; D1784-R1795 IonicContact OD2-CZ 3.6Å; D1784-R1795 IonicContact OD2-NH1 3.73Å; D1784-R1795 PolarHBondContact OD2-NH1 2.86Å; D1784-R1795 IonicContact OD2-NH2 3.91Å; V1791-R1795 HydrophobicContact CG1-CG 4.37Å; V1791-R1795 WeakPolarHBondContact O-CB 3.37Å; V1791-R1795 WeakPolarHBondContact O-CD 3.34Å; V1791-R1795 WeakPolarHBondContact O-CG 3.48Å; V1791-R1795 PolarHBondContact O-N 2.71Å; L1792-R1795 PolarHBondContact O-N 3.26Å |
| 1796 | C | 81 | Confident | 78.7 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -48 | 172.4 | -69 | 0 | 0 | 0 | 0 | 111.1 | I1781 L1792 R1793 A1794 H1798 T1799 I1800 | I1781-C1796 VanDerWaalsContact CG2-SG 3.58Å; L1792-C1796 VanDerWaalsContact O-CB 3.31Å; L1792-C1796 WeakPolarHBondContact O-CB 3.43Å; L1792-C1796 PolarHBondContact O-N 2.7Å; L1792-C1796 PolarHBondContact O-SG 3.23Å; R1793-C1796 PolarHBondContact O-N 3.03Å; A1794-C1796 PolarHBondContact O-N 3.14Å; C1796-H1798 PolarHBondContact O-N 3.36Å; C1796-T1799 PolarHBondContact O-N 3.2Å; C1796-I1800 HydrophobicContact CB-CD1 4.17Å; C1796-I1800 WeakPolarHBondContact O-CB 3.37Å; C1796-I1800 WeakPolarHBondContact O-CD1 3.36Å; C1796-I1800 VanDerWaalsContact O-CG1 3.22Å; C1796-I1800 WeakPolarHBondContact O-CG1 3.48Å; C1796-I1800 PolarHBondContact O-N 3.4Å |
| 1797 | S | 84.6 | Confident | 80.5 | Confident | 12 Ų | 12 | 22.3 Ų | 22.3 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | -178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | R1793 A1794 T1799 I1800 D1801 R1855 | R1793-S1797 WeakPolarHBondContact O-CA 3.48Å; R1793-S1797 WeakPolarHBondContact O-CB 3.48Å; R1793-S1797 PolarHBondContact O-N 3Å; R1793-S1797 PolarHBondContact O-OG 3.36Å; A1794-S1797 PolarHBondContact O-N 3.03Å; S1797-T1799 VanDerWaalsContact C-N 3.29Å; S1797-T1799 PolarHBondContact O-N 3.44Å; S1797-I1800 PolarHBondContact O-N 2.95Å; S1797-D1801 WeakPolarHBondContact O-CB 3.29Å; S1797-D1801 PolarHBondContact O-N 3.03Å; S1797-R1855 VanDerWaalsContact CB-CZ 3.46Å; S1797-R1855 VanDerWaalsContact OG-CD 3.29Å; S1797-R1855 WeakPolarHBondContact OG-CD 3.35Å; S1797-R1855 PolarHBondContact OG-NE 2.98Å; S1797-R1855 VanDerWaalsContact OG-NE 3.12Å; S1797-R1855 PolarHBondContact OG-NH1 3.18Å |
| 1798 | H | 85.9 | Confident | 82.1 | Confident | 86 Ų | 86 | 22.9 Ų | 22.9 | 40% | 0.398 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -50.2 | -48.1 | 174.6 | -177.4 | -83 | 0 | 0 | 0 | 111.3 | V1730 H1734 A1794 C1796 A1802 | V1730-H1798 VanDerWaalsContact CG1-CE1 3.48Å; V1730-H1798 WeakPolarHBondContact CG1-CE1 3.27Å; H1734-H1798 AromaticContact CD2-CD2 3.81Å; H1734-H1798 AromaticContact CD2-NE2 3.97Å; H1734-H1798 AromaticContact CE1-CD2 3.29Å; H1734-H1798 PolarHBondContact CE1-CD2 2.86Å; H1734-H1798 AromaticContact CE1-CE1 3.47Å; H1734-H1798 PolarHBondContact CE1-CE1 3.34Å; H1734-H1798 VanDerWaalsContact CE1-CE1 3.47Å; H1734-H1798 AromaticContact CE1-CG 3.36Å; H1734-H1798 AromaticContact CE1-ND1 3.48Å; H1734-H1798 PolarHBondContact CE1-ND1 3.03Å; H1734-H1798 AromaticContact CE1-NE2 3.38Å; H1734-H1798 PolarHBondContact CE1-NE2 3.28Å; H1734-H1798 PolarHBondContact CE1-O 2.89Å; H1734-H1798 VanDerWaalsContact CE1-O 3.23Å; H1734-H1798 AromaticContact CG-NE2 3.78Å; H1734-H1798 AromaticContact ND1-CD2 3.8Å; H1734-H1798 AromaticContact ND1-CE1 3.55Å; H1734-H1798 AromaticContact ND1-NE2 3.42Å; H1734-H1798 PolarHBondContact ND1-NE2 2.88Å; H1734-H1798 AromaticContact NE2-CD2 3.3Å; H1734-H1798 PolarHBondContact NE2-CD2 3.21Å; H1734-H1798 VanDerWaalsContact NE2-CD2 3.3Å; H1734-H1798 AromaticContact NE2-CG 3.62Å; H1734-H1798 AromaticContact NE2-NE2 3.76Å; A1794-H1798 WeakPolarHBondContact O-CB 3.49Å; A1794-H1798 PolarHBondContact O-N 2.84Å; C1796-H1798 PolarHBondContact O-N 3.36Å; H1798-A1802 WeakPolarHBondContact O-CB 3.36Å |
| 1799 | T | 86.5 | Confident | 83.2 | Confident | 21 Ų | 21 | 22.4 Ų | 22.4 | 13% | 0.129 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -79.8 | -39.1 | 176.5 | -60 | 0 | 0 | 0 | 0 | 113.6 | V1730 L1777 C1796 S1797 Y1803 | V1730-T1799 HydrophobicContact CG2-CG2 4.03Å; L1777-T1799 HydrophobicContact CD2-CG2 3.62Å; L1777-T1799 WeakPolarHBondContact CD2-OG1 3.26Å; C1796-T1799 PolarHBondContact O-N 3.2Å; S1797-T1799 VanDerWaalsContact C-N 3.29Å; S1797-T1799 PolarHBondContact O-N 3.44Å; T1799-Y1803 VanDerWaalsContact O-CB 3.31Å; T1799-Y1803 WeakPolarHBondContact O-CB 3.49Å; T1799-Y1803 PolarHBondContact O-N 3.39Å |
| 1800 | I | 91.3 | Very high | 84.2 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 179.6 | -68.6 | 163.2 | 0 | 0 | 0 | 111.3 | C1796 S1797 A1802 Y1803 V1804 P1852 R1855 M1856 | C1796-I1800 HydrophobicContact CB-CD1 4.17Å; C1796-I1800 WeakPolarHBondContact O-CB 3.37Å; C1796-I1800 WeakPolarHBondContact O-CD1 3.36Å; C1796-I1800 VanDerWaalsContact O-CG1 3.22Å; C1796-I1800 WeakPolarHBondContact O-CG1 3.48Å; C1796-I1800 PolarHBondContact O-N 3.4Å; S1797-I1800 PolarHBondContact O-N 2.95Å; I1800-A1802 VanDerWaalsContact C-N 3.34Å; I1800-A1802 PolarHBondContact O-N 2.97Å; I1800-Y1803 PolarHBondContact O-N 2.72Å; I1800-V1804 HydrophobicContact CG2-CG2 4.2Å; I1800-V1804 WeakPolarHBondContact O-CB 3.38Å; I1800-V1804 VanDerWaalsContact O-CG2 3.28Å; I1800-V1804 WeakPolarHBondContact O-CG2 3.4Å; I1800-V1804 PolarHBondContact O-N 3.33Å; I1800-P1852 HydrophobicContact CD1-CB 3.96Å; I1800-R1855 HydrophobicContact CG2-CB 4.37Å; I1800-R1855 HydrophobicContact CG2-CG 4.17Å; I1800-M1856 HydrophobicContact CG2-CB 4.09Å |
| 1801 | D | 91.1 | Very high | 85.1 | Confident | 21 Ų | 21 | 21.5 Ų | 21.5 | 11% | 0.112 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67 | -39 | -175.8 | -62.8 | -7.5 | 0 | 0 | 0 | 110.5 | Y1733 S1797 A1805 R1855 M1859 | Y1733-D1801 HydrophobicContact CE1-CB 4.31Å; S1797-D1801 WeakPolarHBondContact O-CB 3.29Å; S1797-D1801 PolarHBondContact O-N 3.03Å; D1801-A1805 WeakPolarHBondContact O-CB 3.35Å; D1801-A1805 PolarHBondContact O-N 3.48Å; D1801-R1855 IonicContact OD1-CZ 3.55Å; D1801-R1855 IonicContact OD1-NE 2.7Å; D1801-R1855 PolarHBondContact OD1-NE 2.97Å; D1801-R1855 IonicContact OD1-NH2 2.64Å; D1801-R1855 IonicContact OD2-CZ 3.63Å; D1801-R1855 IonicContact OD2-NE 3.94Å; D1801-R1855 PolarHBondContact OD2-NE 2.95Å; D1801-R1855 IonicContact OD2-NH2 2.67Å; D1801-R1855 PolarHBondContact OD2-NH2 2.84Å; D1801-M1859 HydrophobicContact CB-CE 4.22Å |
| 1802 | A | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1729 V1730 Y1733 H1798 I1800 V1804 A1805 L1806 | W1729-A1802 VanDerWaalsContact CD1-O 3.3Å; W1729-A1802 PolarHBondContact NE1-O 3.19Å; V1730-A1802 HydrophobicContact CB-CB 4.38Å; V1730-A1802 HydrophobicContact CG2-CB 3.87Å; Y1733-A1802 HydrophobicContact CD1-CB 3.62Å; Y1733-A1802 HydrophobicContact CE1-CB 4.33Å; Y1733-A1802 HydrophobicContact CG-CB 3.72Å; H1798-A1802 WeakPolarHBondContact O-CB 3.36Å; I1800-A1802 VanDerWaalsContact C-N 3.34Å; I1800-A1802 PolarHBondContact O-N 2.97Å; A1802-V1804 PolarHBondContact O-N 3.08Å; A1802-A1805 WeakPolarHBondContact O-CB 3.38Å; A1802-A1805 PolarHBondContact O-N 3.11Å; A1802-L1806 PolarHBondContact O-N 3.22Å |
| 1803 | Y | 93.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 176.8 | 169.2 | -127.8 | 0 | 0 | 0 | 111.9 | L1726 V1767 C1770 T1771 T1799 I1800 L1806 L1807 M1833 M1856 | L1726-Y1803 HydrophobicContact CD1-CD2 4.25Å; V1767-Y1803 PolarHBondContact O-OH 3.18Å; C1770-Y1803 HydrophobicContact CB-CD2 3.75Å; C1770-Y1803 HydrophobicContact CB-CE2 3.21Å; T1771-Y1803 PolarHBondContact OG1-OH 3.33Å; T1771-Y1803 VanDerWaalsContact OG1-OH 3.09Å; T1799-Y1803 VanDerWaalsContact O-CB 3.31Å; T1799-Y1803 WeakPolarHBondContact O-CB 3.49Å; T1799-Y1803 PolarHBondContact O-N 3.39Å; I1800-Y1803 PolarHBondContact O-N 2.72Å; Y1803-L1806 VanDerWaalsContact O-CB 3.27Å; Y1803-L1806 WeakPolarHBondContact O-CB 3.48Å; Y1803-L1806 PolarHBondContact O-N 2.97Å; Y1803-L1806 VanDerWaalsContact O-N 3.14Å; Y1803-L1807 HydrophobicContact CD2-CG 4.41Å; Y1803-L1807 HydrophobicContact CE1-CD1 4.02Å; Y1803-L1807 HydrophobicContact CE2-CD1 4.02Å; Y1803-L1807 HydrophobicContact CE2-CD2 3.96Å; Y1803-L1807 HydrophobicContact CE2-CG 3.91Å; Y1803-L1807 PolarHBondContact O-N 3.05Å; Y1803-L1807 VanDerWaalsContact O-N 3.1Å; Y1803-M1833 HydrophobicContact CE1-CE 4.1Å; Y1803-M1856 HydrophobicContact CD1-SD 4.4Å; Y1803-M1856 HydrophobicContact CE1-CG 4.48Å; Y1803-M1856 HydrophobicContact CE1-SD 3.89Å |
| 1804 | V | 93.4 | Very high | 85.3 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.9 | -37.4 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | I1800 A1802 L1806 L1807 I1808 M1856 M1859 L1860 | I1800-V1804 HydrophobicContact CG2-CG2 4.2Å; I1800-V1804 WeakPolarHBondContact O-CB 3.38Å; I1800-V1804 VanDerWaalsContact O-CG2 3.28Å; I1800-V1804 WeakPolarHBondContact O-CG2 3.4Å; I1800-V1804 PolarHBondContact O-N 3.33Å; A1802-V1804 PolarHBondContact O-N 3.08Å; V1804-L1806 VanDerWaalsContact C-N 3.29Å; V1804-L1806 PolarHBondContact O-N 3.13Å; V1804-L1807 WeakPolarHBondContact O-CB 3.49Å; V1804-L1807 PolarHBondContact O-N 2.71Å; V1804-I1808 HydrophobicContact CG1-CD1 3.71Å; V1804-I1808 HydrophobicContact CG1-CG1 4.38Å; V1804-I1808 VanDerWaalsContact O-CD1 3.32Å; V1804-I1808 WeakPolarHBondContact O-CD1 3.21Å; V1804-I1808 VanDerWaalsContact O-CG1 3.22Å; V1804-I1808 WeakPolarHBondContact O-CG1 3.28Å; V1804-I1808 PolarHBondContact O-N 2.72Å; V1804-M1856 HydrophobicContact CG2-CB 4.39Å; V1804-M1856 HydrophobicContact CG2-CG 3.85Å; V1804-M1859 HydrophobicContact CB-CB 4.19Å; V1804-M1859 VanDerWaalsContact CG1-C 3.47Å; V1804-M1859 HydrophobicContact CG1-CB 3.68Å; V1804-M1859 HydrophobicContact CG2-CB 4.41Å; V1804-L1860 HydrophobicContact CG1-CB 4.06Å; V1804-L1860 VanDerWaalsContact CG1-N 3.33Å |
| 1805 | A | 90.4 | Very high | 84.4 | Confident | 10 Ų | 10 | 16.2 Ų | 16.2 | 8% | 0.083 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.3 | -35.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1733 D1801 A1802 I1808 Q1809 | Y1733-A1805 HydrophobicContact CD2-CB 3.53Å; Y1733-A1805 HydrophobicContact CE2-CB 3.25Å; D1801-A1805 WeakPolarHBondContact O-CB 3.35Å; D1801-A1805 PolarHBondContact O-N 3.48Å; A1802-A1805 WeakPolarHBondContact O-CB 3.38Å; A1802-A1805 PolarHBondContact O-N 3.11Å; A1805-I1808 PolarHBondContact O-N 2.81Å; A1805-Q1809 WeakPolarHBondContact O-CG 3.46Å; A1805-Q1809 PolarHBondContact O-N 2.81Å |
| 1806 | L | 90.2 | Very high | 83.2 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -50.4 | 172.5 | -172.6 | 49.5 | 0 | 0 | 0 | 110.7 | W1729 F1746 F1766 A1802 Y1803 V1804 I1808 Q1809 M1810 | W1729-L1806 HydrophobicContact CB-CD2 4.28Å; W1729-L1806 HydrophobicContact CD2-CB 4.36Å; W1729-L1806 HydrophobicContact CD2-CD1 3.83Å; W1729-L1806 HydrophobicContact CD2-CD2 4.47Å; W1729-L1806 HydrophobicContact CD2-CG 4.44Å; W1729-L1806 HydrophobicContact CE3-CD1 4.1Å; W1729-L1806 HydrophobicContact CG-CB 4.26Å; W1729-L1806 HydrophobicContact CG-CD1 4.19Å; W1729-L1806 HydrophobicContact CG-CD2 3.96Å; W1729-L1806 HydrophobicContact CG-CG 4.36Å; W1729-L1806 HydrophobicContact CZ2-CD1 4.37Å; W1729-L1806 HydrophobicContact CZ3-CD1 4.48Å; F1746-L1806 HydrophobicContact CD2-CD1 4.47Å; F1746-L1806 HydrophobicContact CE2-CD1 3.97Å; F1766-L1806 HydrophobicContact CE1-CD2 4.36Å; F1766-L1806 HydrophobicContact CZ-CD2 3.87Å; A1802-L1806 PolarHBondContact O-N 3.22Å; Y1803-L1806 VanDerWaalsContact O-CB 3.27Å; Y1803-L1806 WeakPolarHBondContact O-CB 3.48Å; Y1803-L1806 PolarHBondContact O-N 2.97Å; Y1803-L1806 VanDerWaalsContact O-N 3.14Å; V1804-L1806 VanDerWaalsContact C-N 3.29Å; V1804-L1806 PolarHBondContact O-N 3.13Å; L1806-I1808 VanDerWaalsContact C-N 3.31Å; L1806-I1808 PolarHBondContact O-N 3.11Å; L1806-Q1809 PolarHBondContact O-N 3.23Å; L1806-M1810 HydrophobicContact CD1-CG 4.35Å; L1806-M1810 HydrophobicContact CD1-SD 4.11Å; L1806-M1810 HydrophobicContact CG-SD 3.82Å; L1806-M1810 WeakPolarHBondContact O-CB 3.45Å; L1806-M1810 VanDerWaalsContact O-CG 3.23Å; L1806-M1810 WeakPolarHBondContact O-CG 3.45Å; L1806-M1810 PolarHBondContact O-N 3.04Å |
| 1807 | L | 90.6 | Very high | 82 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 176.3 | -62.8 | 176.4 | 0 | 0 | 0 | 112 | V1767 Y1803 V1804 M1810 I1811 I1829 M1833 | V1767-L1807 HydrophobicContact CG2-CD2 4.22Å; Y1803-L1807 HydrophobicContact CD2-CG 4.41Å; Y1803-L1807 HydrophobicContact CE1-CD1 4.02Å; Y1803-L1807 HydrophobicContact CE2-CD1 4.02Å; Y1803-L1807 HydrophobicContact CE2-CD2 3.96Å; Y1803-L1807 HydrophobicContact CE2-CG 3.91Å; Y1803-L1807 PolarHBondContact O-N 3.05Å; Y1803-L1807 VanDerWaalsContact O-N 3.1Å; V1804-L1807 WeakPolarHBondContact O-CB 3.49Å; V1804-L1807 PolarHBondContact O-N 2.71Å; L1807-M1810 PolarHBondContact O-N 2.71Å; L1807-I1811 WeakPolarHBondContact O-CD1 3.42Å; L1807-I1811 VanDerWaalsContact O-CG1 3.25Å; L1807-I1811 WeakPolarHBondContact O-CG1 3.31Å; L1807-I1811 PolarHBondContact O-N 3.35Å; L1807-I1829 HydrophobicContact CB-CD1 4.32Å; L1807-I1829 HydrophobicContact CD1-CG2 4.02Å; L1807-I1829 HydrophobicContact CD2-CD1 4.1Å; L1807-I1829 HydrophobicContact CD2-CG1 4.25Å; L1807-M1833 HydrophobicContact CD1-CE 3.38Å |
| 1808 | I | 89.3 | Confident | 80.5 | Confident | 23 Ų | 23 | 25.3 Ų | 25.3 | 12% | 0.118 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 178 | -67.8 | 156.6 | 0 | 0 | 0 | 111.3 | V1804 A1805 L1806 I1811 K1812 L1860 | V1804-I1808 HydrophobicContact CG1-CD1 3.71Å; V1804-I1808 HydrophobicContact CG1-CG1 4.38Å; V1804-I1808 VanDerWaalsContact O-CD1 3.32Å; V1804-I1808 WeakPolarHBondContact O-CD1 3.21Å; V1804-I1808 VanDerWaalsContact O-CG1 3.22Å; V1804-I1808 WeakPolarHBondContact O-CG1 3.28Å; V1804-I1808 PolarHBondContact O-N 2.72Å; A1805-I1808 PolarHBondContact O-N 2.81Å; L1806-I1808 VanDerWaalsContact C-N 3.31Å; L1806-I1808 PolarHBondContact O-N 3.11Å; I1808-I1811 PolarHBondContact O-N 3.49Å; I1808-K1812 HydrophobicContact CG2-CD 4.48Å; I1808-K1812 WeakPolarHBondContact O-CG 3.48Å; I1808-K1812 PolarHBondContact O-N 3.11Å; I1808-K1812 VanDerWaalsContact O-N 3.08Å; I1808-L1860 HydrophobicContact CG1-CD1 4.39Å |
| 1809 | Q | 86.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.1 | -36.1 | 176.2 | -67.5 | -68 | 7 | 0 | 0 | 112 | Y1738 N1743 F1746 A1805 L1806 K1812 H1813 | Y1738-Q1809 PolarHBondContact OH-NE2 3.38Å; Y1738-Q1809 VanDerWaalsContact OH-NE2 3.1Å; N1743-Q1809 PolarHBondContact OD1-OE1 2.89Å; F1746-Q1809 HydrophobicContact CB-CB 4.42Å; F1746-Q1809 HydrophobicContact CB-CG 4.32Å; F1746-Q1809 HydrophobicContact CD1-CB 4.17Å; F1746-Q1809 HydrophobicContact CD2-CB 3.37Å; F1746-Q1809 HydrophobicContact CD2-CG 4Å; F1746-Q1809 HydrophobicContact CE1-CB 4.32Å; F1746-Q1809 HydrophobicContact CE2-CB 3.5Å; F1746-Q1809 HydrophobicContact CG-CB 3.71Å; F1746-Q1809 HydrophobicContact CG-CG 4.14Å; F1746-Q1809 HydrophobicContact CZ-CB 3.98Å; A1805-Q1809 WeakPolarHBondContact O-CG 3.46Å; A1805-Q1809 PolarHBondContact O-N 2.81Å; L1806-Q1809 PolarHBondContact O-N 3.23Å; Q1809-K1812 PolarHBondContact O-N 3.11Å; Q1809-H1813 PolarHBondContact O-CD2 3.06Å; Q1809-H1813 VanDerWaalsContact O-CD2 3.28Å; Q1809-H1813 PolarHBondContact O-N 2.99Å; Q1809-H1813 PolarHBondContact OE1-CD2 2.9Å; Q1809-H1813 VanDerWaalsContact OE1-CD2 3.29Å; Q1809-H1813 PolarHBondContact OE1-NE2 3.4Å; Q1809-H1813 VanDerWaalsContact OE1-NE2 3.11Å |
| 1810 | M | 84.9 | Confident | 78 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 172.9 | -67.9 | 165.6 | 74.4 | 0 | 0 | 111.6 | F1746 V1757 L1763 F1766 L1806 L1807 K1812 H1813 T1814 F1825 | F1746-M1810 HydrophobicContact CE2-CG 4.31Å; F1746-M1810 HydrophobicContact CZ-CG 4.24Å; V1757-M1810 HydrophobicContact CG1-CE 3.9Å; V1757-M1810 HydrophobicContact CG2-CE 4.09Å; L1763-M1810 HydrophobicContact CD1-CE 4.26Å; F1766-M1810 HydrophobicContact CD1-CE 4.21Å; F1766-M1810 HydrophobicContact CE1-CE 4.02Å; F1766-M1810 HydrophobicContact CE1-SD 4.08Å; L1806-M1810 HydrophobicContact CD1-CG 4.35Å; L1806-M1810 HydrophobicContact CD1-SD 4.11Å; L1806-M1810 HydrophobicContact CG-SD 3.82Å; L1806-M1810 WeakPolarHBondContact O-CB 3.45Å; L1806-M1810 VanDerWaalsContact O-CG 3.23Å; L1806-M1810 WeakPolarHBondContact O-CG 3.45Å; L1806-M1810 PolarHBondContact O-N 3.04Å; L1807-M1810 PolarHBondContact O-N 2.71Å; M1810-K1812 VanDerWaalsContact C-N 3.28Å; M1810-K1812 PolarHBondContact O-N 3.2Å; M1810-H1813 PolarHBondContact O-N 3.24Å; M1810-T1814 WeakPolarHBondContact CA-OG1 3.3Å; M1810-T1814 WeakPolarHBondContact O-CA 3.35Å; M1810-T1814 WeakPolarHBondContact O-CB 3.04Å; M1810-T1814 PolarHBondContact O-N 2.93Å; M1810-T1814 PolarHBondContact O-OG1 3.19Å; M1810-F1825 HydrophobicContact CB-CE1 3.77Å; M1810-F1825 HydrophobicContact CB-CZ 4.05Å; M1810-F1825 HydrophobicContact CE-CZ 4.1Å |
| 1811 | I | 85.7 | Confident | 77.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.6 | -37.9 | 173.4 | -68.3 | 161.8 | 0 | 0 | 0 | 111.3 | L1807 I1808 K1822 F1825 L1826 I1829 L1860 L1864 L1871 M1878 | L1807-I1811 WeakPolarHBondContact O-CD1 3.42Å; L1807-I1811 VanDerWaalsContact O-CG1 3.25Å; L1807-I1811 WeakPolarHBondContact O-CG1 3.31Å; L1807-I1811 PolarHBondContact O-N 3.35Å; I1808-I1811 PolarHBondContact O-N 3.49Å; I1811-K1822 HydrophobicContact CG2-CB 4.08Å; I1811-K1822 WeakPolarHBondContact O-CG 3.42Å; I1811-F1825 HydrophobicContact CG1-CD1 3.81Å; I1811-F1825 HydrophobicContact CG1-CE1 4.37Å; I1811-L1826 HydrophobicContact CD1-CD1 4.26Å; I1811-I1829 HydrophobicContact CD1-CD1 3.84Å; I1811-I1829 HydrophobicContact CG1-CD1 3.91Å; I1811-L1860 HydrophobicContact CD1-CD1 4.25Å; I1811-L1864 HydrophobicContact CD1-CD2 4.21Å; I1811-L1871 HydrophobicContact CG2-CD2 3.98Å; I1811-M1878 HydrophobicContact CG2-SD 4.15Å |
| 1812 | K | 82.7 | Confident | 76.7 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.4 | -44.6 | 179.2 | -71.4 | 174.6 | -171 | -172.6 | 0 | 113.9 | I1808 Q1809 M1810 D1868 M1870 L1871 | I1808-K1812 HydrophobicContact CG2-CD 4.48Å; I1808-K1812 WeakPolarHBondContact O-CG 3.48Å; I1808-K1812 PolarHBondContact O-N 3.11Å; I1808-K1812 VanDerWaalsContact O-N 3.08Å; Q1809-K1812 PolarHBondContact O-N 3.11Å; M1810-K1812 VanDerWaalsContact C-N 3.28Å; M1810-K1812 PolarHBondContact O-N 3.2Å; K1812-D1868 WeakPolarHBondContact CE-OD2 3.49Å; K1812-D1868 IonicContact NZ-OD2 3.77Å; K1812-D1868 PolarHBondContact NZ-OD2 3.38Å; K1812-M1870 WeakPolarHBondContact O-CE 3.4Å; K1812-L1871 HydrophobicContact CG-CD1 4.32Å; K1812-L1871 HydrophobicContact CG-CD2 3.89Å; K1812-L1871 HydrophobicContact CG-CG 4.11Å |
| 1813 | H | 74.7 | Confident | 76.4 | Confident | 21 Ų | 21 | 37.3 Ų | 37.3 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -115.6 | -18.5 | -164.5 | -61.4 | -73.8 | 0 | 0 | 0 | 115.1 | N1743 F1746 L1747 Q1809 M1810 | N1743-H1813 PolarHBondContact OD1-NE2 3.32Å; F1746-H1813 HydrophobicContact CD1-CB 4.19Å; F1746-H1813 AromaticContact CD1-CD2 3.5Å; F1746-H1813 AromaticContact CD1-CG 3.99Å; F1746-H1813 HydrophobicContact CE1-CB 3.61Å; F1746-H1813 AromaticContact CE1-CD2 3.7Å; F1746-H1813 AromaticContact CE1-CG 3.91Å; L1747-H1813 HydrophobicContact CD2-CB 4.39Å; Q1809-H1813 PolarHBondContact O-CD2 3.06Å; Q1809-H1813 VanDerWaalsContact O-CD2 3.28Å; Q1809-H1813 PolarHBondContact O-N 2.99Å; Q1809-H1813 PolarHBondContact OE1-CD2 2.9Å; Q1809-H1813 VanDerWaalsContact OE1-CD2 3.29Å; Q1809-H1813 PolarHBondContact OE1-NE2 3.4Å; Q1809-H1813 VanDerWaalsContact OE1-NE2 3.11Å; M1810-H1813 PolarHBondContact O-N 3.24Å |
| 1814 | T | 62.7 | Low | 75.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -26.8 | -172.7 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | F1750 M1810 D1816 R1817 V1818 F1825 | F1750-T1814 HydrophobicContact CE2-CG2 4.32Å; F1750-T1814 WeakPolarHBondContact CE2-OG1 3.44Å; F1750-T1814 HydrophobicContact CZ-CG2 3.73Å; F1750-T1814 VanDerWaalsContact CZ-OG1 3.25Å; F1750-T1814 WeakPolarHBondContact CZ-OG1 3.02Å; M1810-T1814 WeakPolarHBondContact CA-OG1 3.3Å; M1810-T1814 WeakPolarHBondContact O-CA 3.35Å; M1810-T1814 WeakPolarHBondContact O-CB 3.04Å; M1810-T1814 PolarHBondContact O-N 2.93Å; M1810-T1814 PolarHBondContact O-OG1 3.19Å; T1814-D1816 VanDerWaalsContact C-N 3.33Å; T1814-D1816 PolarHBondContact O-N 3.09Å; T1814-R1817 PolarHBondContact O-N 2.97Å; T1814-V1818 HydrophobicContact CG2-CB 4.49Å; T1814-V1818 HydrophobicContact CG2-CG2 3.52Å; T1814-V1818 PolarHBondContact O-N 2.75Å; T1814-V1818 VanDerWaalsContact O-N 3.13Å; T1814-F1825 HydrophobicContact CG2-CE2 4.34Å; T1814-F1825 HydrophobicContact CG2-CZ 4.36Å |
| 1815 | A | 58.7 | Low | 75.4 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -48.4 | -52.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1817 V1818 K1819 F1820 K1822 | A1815-R1817 PolarHBondContact O-N 2.68Å; A1815-R1817 VanDerWaalsContact O-N 3.07Å; A1815-V1818 PolarHBondContact O-N 2.84Å; A1815-K1819 PolarHBondContact O-N 2.84Å; A1815-F1820 CarbonylContact C-O 3.45Å; A1815-F1820 WeakPolarHBondContact CA-O 3.05Å; A1815-F1820 WeakPolarHBondContact CB-O 3.16Å; A1815-K1822 HydrophobicContact CB-CG 3.59Å |
| 1816 | D | 54 | Low | 75.4 | Confident | 128 Ų | 128 | 38.4 Ų | 38.4 | 68% | 0.684 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -63.5 | -16.6 | -178.5 | -56.7 | -22 | 0 | 0 | 0 | 113.8 | T1814 | T1814-D1816 VanDerWaalsContact C-N 3.33Å; T1814-D1816 PolarHBondContact O-N 3.09Å |
| 1817 | R | 54.4 | Low | 75.3 | Confident | 155 Ų | 155 | 41.6 Ų | 41.6 | 59% | 0.585 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -103.1 | -22.9 | -178.7 | -63 | -169 | -178.3 | -149.3 | 2.8 | 114.4 | T1814 A1815 | T1814-R1817 PolarHBondContact O-N 2.97Å; A1815-R1817 PolarHBondContact O-N 2.68Å; A1815-R1817 VanDerWaalsContact O-N 3.07Å |
| 1818 | V | 54.1 | Low | 75 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -113.4 | 9.5 | -172.1 | -165.8 | 0 | 0 | 0 | 0 | 112.6 | T1814 A1815 F1820 | T1814-V1818 HydrophobicContact CG2-CB 4.49Å; T1814-V1818 HydrophobicContact CG2-CG2 3.52Å; T1814-V1818 PolarHBondContact O-N 2.75Å; T1814-V1818 VanDerWaalsContact O-N 3.13Å; A1815-V1818 PolarHBondContact O-N 2.84Å; V1818-F1820 HydrophobicContact CB-CD2 4.28Å; V1818-F1820 HydrophobicContact CG1-CD2 3.94Å; V1818-F1820 HydrophobicContact CG1-CE2 4.09Å; V1818-F1820 WeakPolarHBondContact O-CD2 3.15Å; V1818-F1820 PolarHBondContact O-N 3.42Å |
| 1819 | K | 58.3 | Low | 75 | Confident | 212 Ų | 212 | 42.2 Ų | 42.2 | 92% | 0.922 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 20.1 | -179.7 | -57.3 | -176.4 | 176.8 | 179.7 | 0 | 115.3 | A1815 | A1815-K1819 PolarHBondContact O-N 2.84Š|
| 1820 | F | 62 | Low | 75.2 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 18% | 0.18 | 21% | 0.207 | C | C | . | . | trans | -96.6 | 140.7 | 169.2 | -74.9 | -82.6 | 0 | 0 | 0 | 110 | Q1760 A1815 V1818 A1824 F1825 H1828 | Q1760-F1820 HydrophobicContact CB-CZ 4.12Å; Q1760-F1820 HydrophobicContact CG-CZ 3.9Å; A1815-F1820 CarbonylContact C-O 3.45Å; A1815-F1820 WeakPolarHBondContact CA-O 3.05Å; A1815-F1820 WeakPolarHBondContact CB-O 3.16Å; V1818-F1820 HydrophobicContact CB-CD2 4.28Å; V1818-F1820 HydrophobicContact CG1-CD2 3.94Å; V1818-F1820 HydrophobicContact CG1-CE2 4.09Å; V1818-F1820 WeakPolarHBondContact O-CD2 3.15Å; V1818-F1820 PolarHBondContact O-N 3.42Å; F1820-A1824 HydrophobicContact CD1-CB 4.09Å; F1820-F1825 HydrophobicContact CB-CB 4.19Å; F1820-F1825 HydrophobicContact CB-CD2 4.1Å; F1820-F1825 HydrophobicContact CD2-CD2 4.35Å; F1820-F1825 HydrophobicContact CG-CD2 4.31Å; F1820-H1828 AromaticContact CE1-CD2 3.65Å; F1820-H1828 AromaticContact CE1-NE2 3.57Å | ||
| 1821 | T | 73.2 | Confident | 75.3 | Confident | 80 Ų | 80 | 45.2 Ų | 45.2 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | trans | -69.4 | 157.2 | 161.1 | 61.3 | 0 | 0 | 0 | 0 | 109.4 | V1823 A1824 F1825 | T1821-V1823 PolarHBondContact O-N 2.92Å; T1821-A1824 PolarHBondContact O-N 3.31Å; T1821-A1824 VanDerWaalsContact OG1-CB 3.29Å; T1821-A1824 WeakPolarHBondContact OG1-CB 3.35Å; T1821-A1824 PolarHBondContact OG1-N 3.35Å; T1821-F1825 PolarHBondContact O-N 2.82Å | ||
| 1822 | K | 81.9 | Confident | 75.3 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 14% | 0.135 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.2 | -36.5 | -176.7 | -54.5 | 171 | 175.9 | 160.7 | 0 | 110.1 | I1811 A1815 F1825 L1826 M1870 E1874 M1878 | I1811-K1822 HydrophobicContact CG2-CB 4.08Å; I1811-K1822 WeakPolarHBondContact O-CG 3.42Å; A1815-K1822 HydrophobicContact CB-CG 3.59Å; K1822-F1825 PolarHBondContact O-N 3.2Å; K1822-L1826 WeakPolarHBondContact O-CB 3.35Å; K1822-L1826 PolarHBondContact O-N 3.02Å; K1822-M1870 PolarHBondContact NZ-O 3.15Å; K1822-E1874 WeakPolarHBondContact CA-OE2 3.39Å; K1822-E1874 VanDerWaalsContact CB-OE2 3.24Å; K1822-E1874 WeakPolarHBondContact CB-OE2 3.43Å; K1822-E1874 PolarHBondContact N-OE2 2.96Å; K1822-E1874 VanDerWaalsContact N-OE2 3.08Å; K1822-M1878 HydrophobicContact CB-SD 4Å |
| 1823 | V | 84.4 | Confident | 75.7 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 168.9 | -178.1 | 0 | 0 | 0 | 0 | 113 | T1821 N1827 E1874 Q1877 M1878 T1881 | T1821-V1823 PolarHBondContact O-N 2.92Å; V1823-N1827 PolarHBondContact O-N 2.81Å; V1823-E1874 HydrophobicContact CG2-CB 4.07Å; V1823-E1874 HydrophobicContact CG2-CG 4.42Å; V1823-E1874 WeakPolarHBondContact CG2-OE2 3.15Å; V1823-E1874 PolarHBondContact N-OE2 2.86Å; V1823-E1874 VanDerWaalsContact N-OE2 3.14Å; V1823-Q1877 HydrophobicContact CG1-CB 4.23Å; V1823-Q1877 HydrophobicContact CG2-CB 3.44Å; V1823-Q1877 VanDerWaalsContact CG2-CB 3.44Å; V1823-M1878 HydrophobicContact CG2-CG 3.88Å; V1823-T1881 WeakPolarHBondContact CG1-OG1 3.44Å |
| 1824 | A | 81.4 | Confident | 76.2 | Confident | 32 Ų | 32 | 44.3 Ų | 44.3 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.3 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1820 T1821 L1826 N1827 H1828 | F1820-A1824 HydrophobicContact CD1-CB 4.09Å; T1821-A1824 PolarHBondContact O-N 3.31Å; T1821-A1824 VanDerWaalsContact OG1-CB 3.29Å; T1821-A1824 WeakPolarHBondContact OG1-CB 3.35Å; T1821-A1824 PolarHBondContact OG1-N 3.35Å; A1824-L1826 VanDerWaalsContact C-N 3.34Å; A1824-L1826 PolarHBondContact O-N 3.47Å; A1824-N1827 WeakPolarHBondContact O-CA 3.48Å; A1824-N1827 WeakPolarHBondContact O-CB 3.38Å; A1824-N1827 PolarHBondContact O-N 3.18Å; A1824-H1828 PolarHBondContact O-CD2 3.3Å; A1824-H1828 PolarHBondContact O-N 2.98Å |
| 1825 | F | 84.6 | Confident | 77.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 176.6 | -160.8 | -94.4 | 0 | 0 | 0 | 111.7 | L1763 M1810 I1811 T1814 F1820 T1821 K1822 N1827 H1828 I1829 | L1763-F1825 HydrophobicContact CD1-CE1 4.33Å; L1763-F1825 HydrophobicContact CD1-CE2 3.74Å; L1763-F1825 HydrophobicContact CD1-CZ 3.52Å; L1763-F1825 HydrophobicContact CD2-CD2 3.82Å; L1763-F1825 HydrophobicContact CD2-CE2 3.49Å; L1763-F1825 VanDerWaalsContact CD2-CE2 3.49Å; L1763-F1825 HydrophobicContact CD2-CZ 4.11Å; L1763-F1825 HydrophobicContact CG-CE2 4.28Å; L1763-F1825 HydrophobicContact CG-CZ 4.49Å; M1810-F1825 HydrophobicContact CB-CE1 3.77Å; M1810-F1825 HydrophobicContact CB-CZ 4.05Å; M1810-F1825 HydrophobicContact CE-CZ 4.1Å; I1811-F1825 HydrophobicContact CG1-CD1 3.81Å; I1811-F1825 HydrophobicContact CG1-CE1 4.37Å; T1814-F1825 HydrophobicContact CG2-CE2 4.34Å; T1814-F1825 HydrophobicContact CG2-CZ 4.36Å; F1820-F1825 HydrophobicContact CB-CB 4.19Å; F1820-F1825 HydrophobicContact CB-CD2 4.1Å; F1820-F1825 HydrophobicContact CD2-CD2 4.35Å; F1820-F1825 HydrophobicContact CG-CD2 4.31Å; T1821-F1825 PolarHBondContact O-N 2.82Å; K1822-F1825 PolarHBondContact O-N 3.2Å; F1825-N1827 VanDerWaalsContact C-N 3.32Å; F1825-N1827 PolarHBondContact O-N 2.67Å; F1825-H1828 PolarHBondContact O-N 3.2Å; F1825-I1829 HydrophobicContact CD1-CD1 3.74Å; F1825-I1829 HydrophobicContact CD1-CG1 4.48Å; F1825-I1829 HydrophobicContact CE1-CD1 3.85Å; F1825-I1829 WeakPolarHBondContact O-CG1 3.27Å; F1825-I1829 PolarHBondContact O-N 2.73Å |
| 1826 | L | 89 | Confident | 78.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -38 | 171 | 177.4 | 61.1 | 0 | 0 | 0 | 112.3 | I1811 K1822 A1824 I1829 M1830 L1860 L1864 M1878 T1881 | I1811-L1826 HydrophobicContact CD1-CD1 4.26Å; K1822-L1826 WeakPolarHBondContact O-CB 3.35Å; K1822-L1826 PolarHBondContact O-N 3.02Å; A1824-L1826 VanDerWaalsContact C-N 3.34Å; A1824-L1826 PolarHBondContact O-N 3.47Å; L1826-I1829 PolarHBondContact O-N 2.72Å; L1826-M1830 HydrophobicContact CD1-CG 4.17Å; L1826-M1830 HydrophobicContact CG-CG 4.46Å; L1826-M1830 WeakPolarHBondContact O-CG 3.34Å; L1826-M1830 PolarHBondContact O-N 2.97Å; L1826-L1860 HydrophobicContact CD1-CD1 4.41Å; L1826-L1860 HydrophobicContact CD1-CD2 4.16Å; L1826-L1864 HydrophobicContact CD1-CD1 3.84Å; L1826-L1864 HydrophobicContact CD1-CD2 4.47Å; L1826-L1864 HydrophobicContact CD2-CD1 3.65Å; L1826-L1864 HydrophobicContact CD2-CD2 4.01Å; L1826-L1864 HydrophobicContact CG-CD1 4.42Å; L1826-M1878 HydrophobicContact CD2-CB 3.81Å; L1826-M1878 HydrophobicContact CD2-CG 4.2Å; L1826-M1878 VanDerWaalsContact CD2-O 3.32Å; L1826-M1878 WeakPolarHBondContact CD2-O 3.26Å; L1826-T1881 HydrophobicContact CB-CG2 4.37Å; L1826-T1881 HydrophobicContact CD2-CG2 4.19Å; L1826-T1881 HydrophobicContact CG-CG2 3.99Å |
| 1827 | N | 87.8 | Confident | 80 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 176 | -172 | 82.6 | 0 | 0 | 0 | 111.9 | V1823 A1824 F1825 M1830 V1831 T1881 | V1823-N1827 PolarHBondContact O-N 2.81Å; A1824-N1827 WeakPolarHBondContact O-CA 3.48Å; A1824-N1827 WeakPolarHBondContact O-CB 3.38Å; A1824-N1827 PolarHBondContact O-N 3.18Å; F1825-N1827 VanDerWaalsContact C-N 3.32Å; F1825-N1827 PolarHBondContact O-N 2.67Å; N1827-M1830 PolarHBondContact O-N 3.36Å; N1827-V1831 WeakPolarHBondContact O-CB 3.48Å; N1827-V1831 VanDerWaalsContact O-CG2 3.3Å; N1827-V1831 WeakPolarHBondContact O-CG2 3.49Å; N1827-V1831 PolarHBondContact O-N 3.43Å; N1827-T1881 HydrophobicContact CB-CG2 3.74Å |
| 1828 | H | 85.6 | Confident | 81.5 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 17% | 0.167 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 171.9 | -82.4 | -81.8 | 0 | 0 | 0 | 111.8 | Q1760 L1763 D1764 F1820 A1824 F1825 M1830 V1831 S1832 | Q1760-H1828 PolarHBondContact NE2-CE1 3.3Å; Q1760-H1828 VanDerWaalsContact NE2-CE1 3.32Å; L1763-H1828 HydrophobicContact CD2-CB 4.22Å; D1764-H1828 IonicContact OD1-CG 3.45Å; D1764-H1828 IonicContact OD1-ND1 3.3Å; D1764-H1828 PolarHBondContact OD1-ND1 2.97Å; D1764-H1828 IonicContact OD2-CE1 3.68Å; D1764-H1828 IonicContact OD2-ND1 3.28Å; D1764-H1828 PolarHBondContact OD2-ND1 3.42Å; F1820-H1828 AromaticContact CE1-CD2 3.65Å; F1820-H1828 AromaticContact CE1-NE2 3.57Å; A1824-H1828 PolarHBondContact O-CD2 3.3Å; A1824-H1828 PolarHBondContact O-N 2.98Å; F1825-H1828 PolarHBondContact O-N 3.2Å; H1828-M1830 PolarHBondContact O-N 3.38Å; H1828-V1831 PolarHBondContact O-N 2.7Å; H1828-S1832 VanDerWaalsContact O-CB 3.29Å; H1828-S1832 WeakPolarHBondContact O-CB 3.02Å; H1828-S1832 PolarHBondContact O-N 3.33Å; H1828-S1832 PolarHBondContact O-OG 3.21Å |
| 1829 | I | 89.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | 175.7 | -68.8 | 164.9 | 0 | 0 | 0 | 111.2 | V1767 L1807 I1811 F1825 L1826 V1831 S1832 M1833 L1860 | V1767-I1829 HydrophobicContact CG2-CG1 4.2Å; L1807-I1829 HydrophobicContact CB-CD1 4.32Å; L1807-I1829 HydrophobicContact CD1-CG2 4.02Å; L1807-I1829 HydrophobicContact CD2-CD1 4.1Å; L1807-I1829 HydrophobicContact CD2-CG1 4.25Å; I1811-I1829 HydrophobicContact CD1-CD1 3.84Å; I1811-I1829 HydrophobicContact CG1-CD1 3.91Å; F1825-I1829 HydrophobicContact CD1-CD1 3.74Å; F1825-I1829 HydrophobicContact CD1-CG1 4.48Å; F1825-I1829 HydrophobicContact CE1-CD1 3.85Å; F1825-I1829 WeakPolarHBondContact O-CG1 3.27Å; F1825-I1829 PolarHBondContact O-N 2.73Å; L1826-I1829 PolarHBondContact O-N 2.72Å; I1829-V1831 PolarHBondContact O-N 3.49Å; I1829-S1832 PolarHBondContact O-N 3.23Å; I1829-M1833 HydrophobicContact CG2-CE 3.82Å; I1829-M1833 HydrophobicContact CG2-SD 3.98Å; I1829-M1833 WeakPolarHBondContact O-CB 3.44Å; I1829-M1833 VanDerWaalsContact O-CG 3.3Å; I1829-M1833 WeakPolarHBondContact O-CG 3.2Å; I1829-M1833 PolarHBondContact O-N 2.94Å; I1829-L1860 HydrophobicContact CG2-CD2 4.34Å |
| 1830 | M | 90.2 | Very high | 83.9 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.2 | -37.2 | -178.9 | -64.8 | -58.7 | -70.6 | 0 | 0 | 112.6 | L1826 N1827 H1828 T1834 L1857 L1860 Y1882 | L1826-M1830 HydrophobicContact CD1-CG 4.17Å; L1826-M1830 HydrophobicContact CG-CG 4.46Å; L1826-M1830 WeakPolarHBondContact O-CG 3.34Å; L1826-M1830 PolarHBondContact O-N 2.97Å; N1827-M1830 PolarHBondContact O-N 3.36Å; H1828-M1830 PolarHBondContact O-N 3.38Å; M1830-T1834 WeakPolarHBondContact O-CB 3.18Å; M1830-T1834 PolarHBondContact O-N 2.87Å; M1830-T1834 PolarHBondContact O-OG1 3.46Å; M1830-L1857 HydrophobicContact CE-CD2 3.81Å; M1830-L1857 HydrophobicContact SD-CD2 4.28Å; M1830-L1860 HydrophobicContact SD-CD2 3.78Å; M1830-Y1882 HydrophobicContact CE-CD2 4.01Å; M1830-Y1882 HydrophobicContact CE-CE2 4.22Å; M1830-Y1882 HydrophobicContact SD-CD2 4.08Å; M1830-Y1882 HydrophobicContact SD-CE2 4.49Å |
| 1831 | V | 86.6 | Confident | 84.7 | Confident | 62 Ų | 62 | 26.4 Ų | 26.4 | 38% | 0.376 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.4 | -43.7 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | N1827 H1828 I1829 T1834 S1835 L1888 | N1827-V1831 WeakPolarHBondContact O-CB 3.48Å; N1827-V1831 VanDerWaalsContact O-CG2 3.3Å; N1827-V1831 WeakPolarHBondContact O-CG2 3.49Å; N1827-V1831 PolarHBondContact O-N 3.43Å; H1828-V1831 PolarHBondContact O-N 2.7Å; I1829-V1831 PolarHBondContact O-N 3.49Å; V1831-T1834 CarbonylContact O-C 3.55Å; V1831-T1834 WeakPolarHBondContact O-CA 3.44Å; V1831-T1834 WeakPolarHBondContact O-CB 3.24Å; V1831-T1834 PolarHBondContact O-N 2.88Å; V1831-T1834 VanDerWaalsContact O-N 3.11Å; V1831-S1835 PolarHBondContact O-N 3.4Å; V1831-L1888 HydrophobicContact CG2-CD1 4.25Å |
| 1832 | S | 86.3 | Confident | 84.8 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -78 | -20.7 | -178.2 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | D1764 H1828 I1829 S1835 | D1764-S1832 WeakPolarHBondContact CB-OG 3.19Å; D1764-S1832 PolarHBondContact OD1-OG 2.82Å; H1828-S1832 VanDerWaalsContact O-CB 3.29Å; H1828-S1832 WeakPolarHBondContact O-CB 3.02Å; H1828-S1832 PolarHBondContact O-N 3.33Å; H1828-S1832 PolarHBondContact O-OG 3.21Å; I1829-S1832 PolarHBondContact O-N 3.23Å; S1832-S1835 WeakPolarHBondContact CA-OG 3.46Å; S1832-S1835 PolarHBondContact O-OG 3.18Å; S1832-S1835 VanDerWaalsContact O-OG 3.12Å |
| 1833 | M | 89.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -49.5 | 158.4 | -74 | 175.9 | 171.4 | 0 | 0 | 110.7 | V1767 Y1803 L1807 I1829 S1835 V1836 L1837 M1856 | V1767-M1833 HydrophobicContact CG1-CG 4.33Å; Y1803-M1833 HydrophobicContact CE1-CE 4.1Å; L1807-M1833 HydrophobicContact CD1-CE 3.38Å; I1829-M1833 HydrophobicContact CG2-CE 3.82Å; I1829-M1833 HydrophobicContact CG2-SD 3.98Å; I1829-M1833 WeakPolarHBondContact O-CB 3.44Å; I1829-M1833 VanDerWaalsContact O-CG 3.3Å; I1829-M1833 WeakPolarHBondContact O-CG 3.2Å; I1829-M1833 PolarHBondContact O-N 2.94Å; M1833-S1835 PolarHBondContact O-N 3.08Å; M1833-V1836 PolarHBondContact O-N 2.68Å; M1833-L1837 VanDerWaalsContact O-CG 3.31Å; M1833-L1837 WeakPolarHBondContact O-CG 3.22Å; M1833-L1837 PolarHBondContact O-N 2.93Å; M1833-M1856 HydrophobicContact CB-CE 4.49Å; M1833-M1856 HydrophobicContact CE-CE 3.98Å; M1833-M1856 HydrophobicContact CE-CG 3.88Å; M1833-M1856 HydrophobicContact CE-SD 3.7Å; M1833-M1856 HydrophobicContact CG-CE 4.05Å; M1833-M1856 HydrophobicContact SD-CE 3.72Å; M1833-M1856 HydrophobicContact SD-SD 4.27Å |
| 1834 | T | 86.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 32.6 Ų | 32.6 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -33.5 | -178.5 | -60 | 0 | 0 | 0 | 0 | 112.8 | M1830 V1831 V1836 L1837 L1838 L1888 I1889 | M1830-T1834 WeakPolarHBondContact O-CB 3.18Å; M1830-T1834 PolarHBondContact O-N 2.87Å; M1830-T1834 PolarHBondContact O-OG1 3.46Å; V1831-T1834 CarbonylContact O-C 3.55Å; V1831-T1834 WeakPolarHBondContact O-CA 3.44Å; V1831-T1834 WeakPolarHBondContact O-CB 3.24Å; V1831-T1834 PolarHBondContact O-N 2.88Å; V1831-T1834 VanDerWaalsContact O-N 3.11Å; T1834-V1836 VanDerWaalsContact C-N 3.31Å; T1834-V1836 PolarHBondContact O-N 2.88Å; T1834-L1837 PolarHBondContact O-N 3.39Å; T1834-L1838 HydrophobicContact CG2-CD1 3.65Å; T1834-L1838 HydrophobicContact CG2-CG 4.06Å; T1834-L1838 PolarHBondContact O-N 3.45Å; T1834-L1838 VanDerWaalsContact O-N 3.11Å; T1834-L1888 HydrophobicContact CG2-CB 4.34Å; T1834-I1889 HydrophobicContact CG2-CG2 3.9Å |
| 1835 | S | 83.1 | Confident | 84.1 | Confident | 59 Ų | 59 | 37.8 Ų | 37.8 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -74.2 | -15 | 176.9 | 67 | 0 | 0 | 0 | 0 | 114.4 | V1831 S1832 M1833 P1839 | V1831-S1835 PolarHBondContact O-N 3.4Å; S1832-S1835 WeakPolarHBondContact CA-OG 3.46Å; S1832-S1835 PolarHBondContact O-OG 3.18Å; S1832-S1835 VanDerWaalsContact O-OG 3.12Å; M1833-S1835 PolarHBondContact O-N 3.08Å; S1835-P1839 WeakPolarHBondContact O-CD 3.36Å; S1835-P1839 VanDerWaalsContact O-CG 3.29Å; S1835-P1839 WeakPolarHBondContact O-CG 3.35Å |
| 1836 | V | 85.7 | Confident | 83.6 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -86 | -52.2 | 164 | 176.6 | 0 | 0 | 0 | 0 | 110 | R1768 T1771 E1772 M1833 T1834 L1838 P1839 E1840 | R1768-V1836 HydrophobicContact CB-CG2 4.23Å; R1768-V1836 HydrophobicContact CG-CG2 3.57Å; T1771-V1836 HydrophobicContact CG2-CB 4Å; T1771-V1836 HydrophobicContact CG2-CG1 3.94Å; T1771-V1836 HydrophobicContact CG2-CG2 4.25Å; E1772-V1836 HydrophobicContact CG-CG1 3.85Å; E1772-V1836 HydrophobicContact CG-CG2 3.93Å; M1833-V1836 PolarHBondContact O-N 2.68Å; T1834-V1836 VanDerWaalsContact C-N 3.31Å; T1834-V1836 PolarHBondContact O-N 2.88Å; V1836-L1838 PolarHBondContact O-N 3.44Å; V1836-P1839 WeakPolarHBondContact O-CD 3.48Å; V1836-E1840 HydrophobicContact CG1-CG 3.77Å; V1836-E1840 VanDerWaalsContact O-CB 3.24Å; V1836-E1840 WeakPolarHBondContact O-CB 3.37Å; V1836-E1840 WeakPolarHBondContact O-CG 3.47Å; V1836-E1840 PolarHBondContact O-N 3.03Å |
| 1837 | L | 86.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -34.1 | -167.3 | -63.4 | 178.9 | 0 | 0 | 0 | 113.8 | V1775 M1833 T1834 Q1841 M1848 I1853 M1856 F1894 | V1775-L1837 HydrophobicContact CG2-CD2 4.45Å; M1833-L1837 VanDerWaalsContact O-CG 3.31Å; M1833-L1837 WeakPolarHBondContact O-CG 3.22Å; M1833-L1837 PolarHBondContact O-N 2.93Å; T1834-L1837 PolarHBondContact O-N 3.39Å; L1837-Q1841 PolarHBondContact O-N 3.45Å; L1837-Q1841 VanDerWaalsContact O-N 3.15Å; L1837-M1848 WeakPolarHBondContact O-CE 3.44Å; L1837-I1853 HydrophobicContact CD1-CG2 3.58Å; L1837-I1853 HydrophobicContact CD2-CD1 3.72Å; L1837-I1853 HydrophobicContact CD2-CG1 3.84Å; L1837-I1853 HydrophobicContact CD2-CG2 4.23Å; L1837-M1856 HydrophobicContact CD1-CE 4.34Å; L1837-F1894 HydrophobicContact CB-CE1 4.34Å; L1837-F1894 HydrophobicContact CB-CE2 4.4Å; L1837-F1894 HydrophobicContact CB-CZ 3.9Å; L1837-F1894 VanDerWaalsContact O-CE2 3.26Å; L1837-F1894 WeakPolarHBondContact O-CE2 3.48Å |
| 1838 | L | 85.1 | Confident | 82.5 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.3 | -51.5 | 177.9 | -65.5 | 176.9 | 0 | 0 | 0 | 112.6 | T1834 V1836 E1840 Q1841 D1842 F1894 | T1834-L1838 HydrophobicContact CG2-CD1 3.65Å; T1834-L1838 HydrophobicContact CG2-CG 4.06Å; T1834-L1838 PolarHBondContact O-N 3.45Å; T1834-L1838 VanDerWaalsContact O-N 3.11Å; V1836-L1838 PolarHBondContact O-N 3.44Å; L1838-E1840 VanDerWaalsContact C-N 3.3Å; L1838-E1840 PolarHBondContact O-N 3.29Å; L1838-Q1841 VanDerWaalsContact O-CB 3.25Å; L1838-Q1841 WeakPolarHBondContact O-CB 3.43Å; L1838-Q1841 PolarHBondContact O-N 2.97Å; L1838-D1842 PolarHBondContact O-N 3.22Å; L1838-F1894 HydrophobicContact CD2-CB 3.95Å; L1838-F1894 HydrophobicContact CD2-CD2 3.82Å; L1838-F1894 HydrophobicContact CD2-CG 4.05Å |
| 1839 | P | 81.9 | Confident | 82.1 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 41% | 0.409 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 173 | -27.2 | 37.4 | 0 | 0 | 0 | 113.7 | S1835 V1836 Q1841 D1842 I1843 | S1835-P1839 WeakPolarHBondContact O-CD 3.36Å; S1835-P1839 VanDerWaalsContact O-CG 3.29Å; S1835-P1839 WeakPolarHBondContact O-CG 3.35Å; V1836-P1839 WeakPolarHBondContact O-CD 3.48Å; P1839-Q1841 VanDerWaalsContact C-N 3.25Å; P1839-Q1841 PolarHBondContact O-N 3.28Å; P1839-D1842 PolarHBondContact O-N 3.29Å; P1839-I1843 HydrophobicContact CB-CD1 4.43Å; P1839-I1843 WeakPolarHBondContact O-CB 3.28Å; P1839-I1843 VanDerWaalsContact O-CG1 3.27Å; P1839-I1843 WeakPolarHBondContact O-CG1 3.29Å; P1839-I1843 PolarHBondContact O-N 3.49Å |
| 1840 | E | 80.3 | Confident | 81.9 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -33.3 | 173 | -74.4 | -72.8 | 159.3 | 0 | 0 | 111.5 | R1708 V1836 L1838 D1842 R1844 M1848 | R1708-E1840 IonicContact NH2-OE1 2.86Å; V1836-E1840 HydrophobicContact CG1-CG 3.77Å; V1836-E1840 VanDerWaalsContact O-CB 3.24Å; V1836-E1840 WeakPolarHBondContact O-CB 3.37Å; V1836-E1840 WeakPolarHBondContact O-CG 3.47Å; V1836-E1840 PolarHBondContact O-N 3.03Å; L1838-E1840 VanDerWaalsContact C-N 3.3Å; L1838-E1840 PolarHBondContact O-N 3.29Å; E1840-D1842 VanDerWaalsContact C-N 3.27Å; E1840-D1842 PolarHBondContact O-N 3.04Å; E1840-R1844 VanDerWaalsContact CD-NH2 3.33Å; E1840-R1844 WeakPolarHBondContact O-CA 3.44Å; E1840-R1844 WeakPolarHBondContact O-CB 3.46Å; E1840-R1844 PolarHBondContact O-N 3.13Å; E1840-R1844 IonicContact OE1-NH2 3.88Å; E1840-R1844 PolarHBondContact OE1-NH2 2.95Å; E1840-R1844 IonicContact OE2-CZ 2.8Å; E1840-R1844 IonicContact OE2-NE 2.71Å; E1840-R1844 PolarHBondContact OE2-NE 2.89Å; E1840-R1844 IonicContact OE2-NH2 3.92Å; E1840-R1844 PolarHBondContact OE2-NH2 3.46Å; E1840-M1848 HydrophobicContact CB-CE 3.74Å |
| 1841 | Q | 80.4 | Confident | 81.2 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -36.1 | 170.4 | -165.1 | -169 | -117.2 | 0 | 0 | 112.5 | L1837 L1838 P1839 R1845 M1848 F1894 P1895 I1896 | L1837-Q1841 PolarHBondContact O-N 3.45Å; L1837-Q1841 VanDerWaalsContact O-N 3.15Å; L1838-Q1841 VanDerWaalsContact O-CB 3.25Å; L1838-Q1841 WeakPolarHBondContact O-CB 3.43Å; L1838-Q1841 PolarHBondContact O-N 2.97Å; P1839-Q1841 VanDerWaalsContact C-N 3.25Å; P1839-Q1841 PolarHBondContact O-N 3.28Å; Q1841-R1845 WeakPolarHBondContact O-CA 3.22Å; Q1841-R1845 WeakPolarHBondContact O-CG 3.42Å; Q1841-R1845 PolarHBondContact O-N 2.91Å; Q1841-M1848 HydrophobicContact CB-SD 4.33Å; Q1841-F1894 HydrophobicContact CB-CD2 4.16Å; Q1841-F1894 HydrophobicContact CB-CE2 3.96Å; Q1841-F1894 HydrophobicContact CG-CD2 4.29Å; Q1841-F1894 HydrophobicContact CG-CE2 4.33Å; Q1841-P1895 VanDerWaalsContact OE1-CD 3.24Å; Q1841-I1896 HydrophobicContact CG-CB 4.32Å; Q1841-I1896 HydrophobicContact CG-CG2 3.95Å; Q1841-I1896 VanDerWaalsContact OE1-CG2 3.28Å |
| 1842 | D | 75.2 | Confident | 80.9 | Confident | 101 Ų | 101 | 38.2 Ų | 38.2 | 54% | 0.54 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -90.2 | -31.9 | -171 | -62.9 | -19.3 | 0 | 0 | 0 | 112.5 | L1838 P1839 E1840 R1845 | L1838-D1842 PolarHBondContact O-N 3.22Å; P1839-D1842 PolarHBondContact O-N 3.29Å; E1840-D1842 VanDerWaalsContact C-N 3.27Å; E1840-D1842 PolarHBondContact O-N 3.04Å; D1842-R1845 PolarHBondContact O-NE 3.05Å |
| 1843 | I | 77.4 | Confident | 80.9 | Confident | 121 Ų | 121 | 38 Ų | 38 | 62% | 0.621 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -67.6 | -55.6 | 169.5 | -66 | 163.3 | 0 | 0 | 0 | 110.1 | P1839 | P1839-I1843 HydrophobicContact CB-CD1 4.43Å; P1839-I1843 WeakPolarHBondContact O-CB 3.28Å; P1839-I1843 VanDerWaalsContact O-CG1 3.27Å; P1839-I1843 WeakPolarHBondContact O-CG1 3.29Å; P1839-I1843 PolarHBondContact O-N 3.49Å |
| 1844 | R | 78 | Confident | 80.9 | Confident | 38 Ų | 38 | 40.1 Ų | 40.1 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -86.2 | -176.8 | -87.4 | -164.9 | -103.8 | -122.9 | -11.6 | 109.3 | E873 D1776 H1779 E1840 | E873-R1844 WeakPolarHBondContact CB-O 3.31Å; E873-R1844 VanDerWaalsContact CG-C 3.42Å; E873-R1844 WeakPolarHBondContact CG-O 3.26Å; E873-R1844 WeakPolarHBondContact OE1-CA 3.31Å; E873-R1844 WeakPolarHBondContact OE1-CB 2.81Å; E873-R1844 WeakPolarHBondContact OE1-CG 3.01Å; E873-R1844 WeakPolarHBondContact OE2-CA 3.45Å; E873-R1844 WeakPolarHBondContact OE2-CB 3.32Å; D1776-R1844 IonicContact OD1-CZ 3.99Å; D1776-R1844 IonicContact OD1-NH1 3.08Å; D1776-R1844 PolarHBondContact OD1-NH1 3.43Å; D1776-R1844 IonicContact OD1-NH2 3.65Å; D1776-R1844 PolarHBondContact OD1-NH2 2.75Å; H1779-R1844 VanDerWaalsContact CE1-CD 3.45Å; H1779-R1844 WeakPolarHBondContact CE1-CD 3.42Å; E1840-R1844 VanDerWaalsContact CD-NH2 3.33Å; E1840-R1844 WeakPolarHBondContact O-CA 3.44Å; E1840-R1844 WeakPolarHBondContact O-CB 3.46Å; E1840-R1844 PolarHBondContact O-N 3.13Å; E1840-R1844 IonicContact OE1-NH2 3.88Å; E1840-R1844 PolarHBondContact OE1-NH2 2.95Å; E1840-R1844 IonicContact OE2-CZ 2.8Å; E1840-R1844 IonicContact OE2-NE 2.71Å; E1840-R1844 PolarHBondContact OE2-NE 2.89Å; E1840-R1844 IonicContact OE2-NH2 3.92Å; E1840-R1844 PolarHBondContact OE2-NH2 3.46Å |
| 1845 | R | 77.2 | Confident | 81 | Confident | 142 Ų | 142 | 44 Ų | 44 | 54% | 0.536 | 22% | 0.217 | S | C | . | . | trans | 109.6 | -31.9 | 173.3 | -58.4 | 155.2 | -177.8 | -157 | -2.7 | 118.7 | E873 Q1841 D1842 I1896 | E873-R1845 HydrophobicContact CG-CB 4.38Å; E873-R1845 WeakPolarHBondContact O-CD 3.35Å; E873-R1845 PolarHBondContact OE2-N 3.44Å; E873-R1845 VanDerWaalsContact OE2-N 3.13Å; Q1841-R1845 WeakPolarHBondContact O-CA 3.22Å; Q1841-R1845 WeakPolarHBondContact O-CG 3.42Å; Q1841-R1845 PolarHBondContact O-N 2.91Å; D1842-R1845 PolarHBondContact O-NE 3.05Å; R1845-I1896 WeakPolarHBondContact O-CD1 3.02Å | ||
| 1846 | V | 73.1 | Confident | 81.4 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -156.8 | -35.1 | -175 | -45.8 | 0 | 0 | 0 | 0 | 116.6 | A872 E873 Q876 L877 M1848 | A872-V1846 WeakPolarHBondContact O-CG2 3.5Å; E873-V1846 HydrophobicContact CG-CB 4.37Å; E873-V1846 HydrophobicContact CG-CG2 3.71Å; E873-V1846 PolarHBondContact OE2-N 3.35Å; Q876-V1846 HydrophobicContact CB-CB 4.01Å; Q876-V1846 HydrophobicContact CB-CG2 3.74Å; Q876-V1846 HydrophobicContact CG-CG2 4.24Å; L877-V1846 HydrophobicContact CB-CB 3.69Å; L877-V1846 HydrophobicContact CB-CG1 3.73Å; V1846-M1848 PolarHBondContact O-N 3.2Å |
| 1847 | E | 72.5 | Confident | 81.8 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 23% | 0.229 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -62.2 | -26.1 | 167.7 | -64.3 | 164.5 | -138.6 | 0 | 0 | 108.3 | Q870 P871 A872 E873 H1779 R1849 | Q870-E1847 HydrophobicContact CG-CG 4.17Å; Q870-E1847 PolarHBondContact NE2-OE2 3.07Å; P871-E1847 WeakPolarHBondContact O-CG 3.49Å; A872-E1847 WeakPolarHBondContact CA-OE1 3.42Å; E873-E1847 VanDerWaalsContact CD-CB 3.43Å; E873-E1847 HydrophobicContact CG-CB 3.95Å; E873-E1847 HydrophobicContact CG-CG 3.73Å; E873-E1847 PolarHBondContact N-OE1 3.37Å; E873-E1847 WeakPolarHBondContact OE2-CA 3.26Å; E873-E1847 VanDerWaalsContact OE2-CB 3.29Å; E873-E1847 WeakPolarHBondContact OE2-CB 3.35Å; E873-E1847 PolarHBondContact OE2-N 3.3Å; H1779-E1847 VanDerWaalsContact CE1-C 3.44Å; H1779-E1847 PolarHBondContact CE1-O 3.13Å; H1779-E1847 VanDerWaalsContact CE1-O 3.31Å; E1847-R1849 WeakPolarHBondContact O-CD 3.45Å; E1847-R1849 VanDerWaalsContact O-CG 3.29Å; E1847-R1849 WeakPolarHBondContact O-CG 3.44Å; E1847-R1849 PolarHBondContact O-N 3.31Å; E1847-R1849 PolarHBondContact O-NE 3.48Å; E1847-R1849 PolarHBondContact O-NH1 3.19Å |
| 1848 | M | 81.1 | Confident | 82.1 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | trans | -30.3 | 102.9 | 167.3 | -156 | -169.8 | -157.8 | 0 | 0 | 112 | E873 H1779 L1837 E1840 Q1841 V1846 T1850 I1853 F1894 I1896 | E873-M1848 PolarHBondContact OE2-N 3Å; H1779-M1848 VanDerWaalsContact CE1-CA 3.45Å; H1779-M1848 WeakPolarHBondContact CE1-CA 3.32Å; H1779-M1848 PolarHBondContact CE1-N 3.34Å; H1779-M1848 WeakPolarHBondContact NE2-CA 3.07Å; L1837-M1848 WeakPolarHBondContact O-CE 3.44Å; E1840-M1848 HydrophobicContact CB-CE 3.74Å; Q1841-M1848 HydrophobicContact CB-SD 4.33Å; V1846-M1848 PolarHBondContact O-N 3.2Å; M1848-T1850 PolarHBondContact O-N 3.4Å; M1848-I1853 HydrophobicContact CE-CD1 4.04Å; M1848-F1894 HydrophobicContact CE-CE2 3.76Å; M1848-F1894 HydrophobicContact CE-CZ 3.76Å; M1848-F1894 HydrophobicContact SD-CE2 3.9Å; M1848-F1894 HydrophobicContact SD-CZ 4.07Å; M1848-I1896 HydrophobicContact CB-CD1 3.58Å; M1848-I1896 HydrophobicContact CB-CG1 4.32Å; M1848-I1896 HydrophobicContact CG-CD1 4.27Å; M1848-I1896 HydrophobicContact SD-CB 4.47Å; M1848-I1896 HydrophobicContact SD-CD1 3.87Å; M1848-I1896 HydrophobicContact SD-CG1 3.98Å; M1848-I1896 HydrophobicContact SD-CG2 3.82Å | ||
| 1849 | R | 78.3 | Confident | 82.5 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | trans | -79.3 | 96.3 | -178.6 | -61.3 | -55.2 | -176.5 | -152.1 | 9.1 | 108.2 | Q876 H1779 M1782 E1847 L1851 P1852 | Q876-R1849 VanDerWaalsContact OE1-CZ 3.3Å; H1779-R1849 PolarHBondContact NE2-N 3.17Å; H1779-R1849 VanDerWaalsContact NE2-N 3.16Å; M1782-R1849 HydrophobicContact CB-CG 4.02Å; M1782-R1849 HydrophobicContact CE-CG 4.25Å; M1782-R1849 HydrophobicContact CG-CG 4.4Å; M1782-R1849 HydrophobicContact SD-CB 3.83Å; M1782-R1849 HydrophobicContact SD-CG 3.67Å; E1847-R1849 WeakPolarHBondContact O-CD 3.45Å; E1847-R1849 VanDerWaalsContact O-CG 3.29Å; E1847-R1849 WeakPolarHBondContact O-CG 3.44Å; E1847-R1849 PolarHBondContact O-N 3.31Å; E1847-R1849 PolarHBondContact O-NE 3.48Å; E1847-R1849 PolarHBondContact O-NH1 3.19Å; R1849-L1851 VanDerWaalsContact C-N 3.28Å; R1849-L1851 PolarHBondContact O-N 3.49Å; R1849-P1852 HydrophobicContact CB-CG 3.91Å; R1849-P1852 WeakPolarHBondContact O-CD 3.24Å; R1849-P1852 WeakPolarHBondContact O-CG 3.45Å | ||
| 1850 | T | 84.8 | Confident | 83 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 18% | 0.184 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.5 | -26.9 | 179.8 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | M1848 I1853 E1854 I1896 F1897 C1900 | M1848-T1850 PolarHBondContact O-N 3.4Å; T1850-I1853 WeakPolarHBondContact O-CA 3.38Å; T1850-I1853 VanDerWaalsContact O-CB 3.31Å; T1850-I1853 WeakPolarHBondContact O-CB 2.85Å; T1850-I1853 PolarHBondContact O-N 3.37Å; T1850-E1854 PolarHBondContact O-N 3.34Å; T1850-I1896 HydrophobicContact CG2-CG1 3.66Å; T1850-F1897 HydrophobicContact CG2-CD2 4.24Å; T1850-C1900 VanDerWaalsContact CB-SG 3.58Å; T1850-C1900 PolarHBondContact OG1-SG 3.27Å |
| 1851 | L | 76 | Confident | 83.6 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 179.9 | -179.9 | 69.2 | 0 | 0 | 0 | 113.5 | R1793 R1849 I1853 E1854 R1855 | R1793-L1851 HydrophobicContact CG-CD2 3.91Å; R1849-L1851 VanDerWaalsContact C-N 3.28Å; R1849-L1851 PolarHBondContact O-N 3.49Å; L1851-I1853 VanDerWaalsContact C-N 3.31Å; L1851-I1853 PolarHBondContact O-N 2.94Å; L1851-E1854 WeakPolarHBondContact O-CB 3.1Å; L1851-E1854 PolarHBondContact O-N 3.31Å; L1851-R1855 PolarHBondContact O-N 3.46Å |
| 1852 | P | 79.1 | Confident | 84.1 | Confident | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.078 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -48.6 | -46.1 | 163.9 | -34.6 | 32.9 | 0 | 0 | 0 | 115.1 | C1778 I1800 R1849 R1855 M1856 | C1778-P1852 HydrophobicContact CB-CB 3.94Å; C1778-P1852 HydrophobicContact CB-CG 3.43Å; C1778-P1852 VanDerWaalsContact CB-CG 3.43Å; I1800-P1852 HydrophobicContact CD1-CB 3.96Å; R1849-P1852 HydrophobicContact CB-CG 3.91Å; R1849-P1852 WeakPolarHBondContact O-CD 3.24Å; R1849-P1852 WeakPolarHBondContact O-CG 3.45Å; P1852-R1855 PolarHBondContact O-N 3.21Å; P1852-M1856 VanDerWaalsContact O-CB 3.28Å; P1852-M1856 WeakPolarHBondContact O-CB 3.23Å; P1852-M1856 PolarHBondContact O-N 2.96Å |
| 1853 | I | 86.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | -179 | -51.1 | 170.4 | 0 | 0 | 0 | 110.3 | L1837 M1848 T1850 L1851 M1856 L1857 F1894 F1897 | L1837-I1853 HydrophobicContact CD1-CG2 3.58Å; L1837-I1853 HydrophobicContact CD2-CD1 3.72Å; L1837-I1853 HydrophobicContact CD2-CG1 3.84Å; L1837-I1853 HydrophobicContact CD2-CG2 4.23Å; M1848-I1853 HydrophobicContact CE-CD1 4.04Å; T1850-I1853 WeakPolarHBondContact O-CA 3.38Å; T1850-I1853 VanDerWaalsContact O-CB 3.31Å; T1850-I1853 WeakPolarHBondContact O-CB 2.85Å; T1850-I1853 PolarHBondContact O-N 3.37Å; L1851-I1853 VanDerWaalsContact C-N 3.31Å; L1851-I1853 PolarHBondContact O-N 2.94Å; I1853-M1856 HydrophobicContact CG2-CE 4.48Å; I1853-M1856 PolarHBondContact O-N 3.37Å; I1853-L1857 HydrophobicContact CG2-CD1 4.05Å; I1853-L1857 WeakPolarHBondContact O-CB 3.29Å; I1853-L1857 WeakPolarHBondContact O-CG 3.3Å; I1853-L1857 PolarHBondContact O-N 2.95Å; I1853-F1894 HydrophobicContact CD1-CE1 4.3Å; I1853-F1894 HydrophobicContact CD1-CZ 3.9Å; I1853-F1897 HydrophobicContact CB-CD2 4.31Å; I1853-F1897 HydrophobicContact CB-CE2 3.77Å; I1853-F1897 HydrophobicContact CG2-CD2 4.19Å; I1853-F1897 HydrophobicContact CG2-CE2 3.63Å; I1853-F1897 HydrophobicContact CG2-CZ 4.01Å |
| 1854 | E | 89.9 | Confident | 85.2 | Confident | 47 Ų | 47 | 33.5 Ų | 33.5 | 22% | 0.22 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.3 | -50.6 | 174.6 | -169 | -164.9 | 135.2 | 0 | 0 | 111.3 | T1850 L1851 L1857 M1858 F1897 C1900 I1904 | T1850-E1854 PolarHBondContact O-N 3.34Å; L1851-E1854 WeakPolarHBondContact O-CB 3.1Å; L1851-E1854 PolarHBondContact O-N 3.31Å; E1854-L1857 PolarHBondContact O-N 2.93Å; E1854-M1858 WeakPolarHBondContact O-CB 3.33Å; E1854-M1858 WeakPolarHBondContact O-CG 3.36Å; E1854-M1858 PolarHBondContact O-N 3.14Å; E1854-F1897 HydrophobicContact CB-CE2 4.41Å; E1854-C1900 HydrophobicContact CB-CB 3.83Å; E1854-C1900 HydrophobicContact CG-CB 3.83Å; E1854-C1900 PolarHBondContact OE2-SG 3.08Å; E1854-I1904 HydrophobicContact CG-CG1 4.47Å |
| 1855 | R | 89.7 | Confident | 85.5 | Confident | 95 Ų | 95 | 33.3 Ų | 33.3 | 36% | 0.358 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 178.1 | -170.1 | 172.8 | -173.4 | 115.1 | -3.7 | 111.6 | S1797 I1800 D1801 L1851 P1852 L1857 M1858 M1859 | S1797-R1855 VanDerWaalsContact CB-CZ 3.46Å; S1797-R1855 VanDerWaalsContact OG-CD 3.29Å; S1797-R1855 WeakPolarHBondContact OG-CD 3.35Å; S1797-R1855 PolarHBondContact OG-NE 2.98Å; S1797-R1855 VanDerWaalsContact OG-NE 3.12Å; S1797-R1855 PolarHBondContact OG-NH1 3.18Å; I1800-R1855 HydrophobicContact CG2-CB 4.37Å; I1800-R1855 HydrophobicContact CG2-CG 4.17Å; D1801-R1855 IonicContact OD1-CZ 3.55Å; D1801-R1855 IonicContact OD1-NE 2.7Å; D1801-R1855 PolarHBondContact OD1-NE 2.97Å; D1801-R1855 IonicContact OD1-NH2 2.64Å; D1801-R1855 IonicContact OD2-CZ 3.63Å; D1801-R1855 IonicContact OD2-NE 3.94Å; D1801-R1855 PolarHBondContact OD2-NE 2.95Å; D1801-R1855 IonicContact OD2-NH2 2.67Å; D1801-R1855 PolarHBondContact OD2-NH2 2.84Å; L1851-R1855 PolarHBondContact O-N 3.46Å; P1852-R1855 PolarHBondContact O-N 3.21Å; R1855-L1857 VanDerWaalsContact C-N 3.32Å; R1855-L1857 PolarHBondContact O-N 2.84Å; R1855-M1858 PolarHBondContact O-N 3.37Å; R1855-M1859 HydrophobicContact CG-CG 3.89Å; R1855-M1859 VanDerWaalsContact O-CB 3.27Å; R1855-M1859 WeakPolarHBondContact O-CB 3.48Å; R1855-M1859 VanDerWaalsContact O-CG 3.25Å; R1855-M1859 WeakPolarHBondContact O-CG 3.42Å; R1855-M1859 PolarHBondContact O-N 3.43Å |
| 1856 | M | 91.5 | Very high | 85.6 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 177.1 | -174.3 | 178 | 71.8 | 0 | 0 | 111.7 | T1771 I1800 Y1803 V1804 M1833 L1837 P1852 I1853 L1860 | T1771-M1856 HydrophobicContact CG2-CE 4.24Å; T1771-M1856 HydrophobicContact CG2-SD 4.3Å; I1800-M1856 HydrophobicContact CG2-CB 4.09Å; Y1803-M1856 HydrophobicContact CD1-SD 4.4Å; Y1803-M1856 HydrophobicContact CE1-CG 4.48Å; Y1803-M1856 HydrophobicContact CE1-SD 3.89Å; V1804-M1856 HydrophobicContact CG2-CB 4.39Å; V1804-M1856 HydrophobicContact CG2-CG 3.85Å; M1833-M1856 HydrophobicContact CB-CE 4.49Å; M1833-M1856 HydrophobicContact CE-CE 3.98Å; M1833-M1856 HydrophobicContact CE-CG 3.88Å; M1833-M1856 HydrophobicContact CE-SD 3.7Å; M1833-M1856 HydrophobicContact CG-CE 4.05Å; M1833-M1856 HydrophobicContact SD-CE 3.72Å; M1833-M1856 HydrophobicContact SD-SD 4.27Å; L1837-M1856 HydrophobicContact CD1-CE 4.34Å; P1852-M1856 VanDerWaalsContact O-CB 3.28Å; P1852-M1856 WeakPolarHBondContact O-CB 3.23Å; P1852-M1856 PolarHBondContact O-N 2.96Å; I1853-M1856 HydrophobicContact CG2-CE 4.48Å; I1853-M1856 PolarHBondContact O-N 3.37Å; M1856-L1860 WeakPolarHBondContact O-CB 3.42Å; M1856-L1860 PolarHBondContact O-N 3.39Å; M1856-L1860 VanDerWaalsContact O-N 3.15Å |
| 1857 | L | 93.2 | Very high | 85.6 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.8 | -44.2 | 177.9 | -70.5 | 172.2 | 0 | 0 | 0 | 112.6 | M1830 I1853 E1854 R1855 L1860 F1861 Y1882 L1886 I1889 F1897 I1904 | M1830-L1857 HydrophobicContact CE-CD2 3.81Å; M1830-L1857 HydrophobicContact SD-CD2 4.28Å; I1853-L1857 HydrophobicContact CG2-CD1 4.05Å; I1853-L1857 WeakPolarHBondContact O-CB 3.29Å; I1853-L1857 WeakPolarHBondContact O-CG 3.3Å; I1853-L1857 PolarHBondContact O-N 2.95Å; E1854-L1857 PolarHBondContact O-N 2.93Å; R1855-L1857 VanDerWaalsContact C-N 3.32Å; R1855-L1857 PolarHBondContact O-N 2.84Å; L1857-L1860 PolarHBondContact O-N 2.92Å; L1857-F1861 WeakPolarHBondContact O-CB 3.3Å; L1857-F1861 PolarHBondContact O-N 3.36Å; L1857-Y1882 HydrophobicContact CD2-CE2 4.27Å; L1857-Y1882 PolarHBondContact O-OH 3.07Å; L1857-Y1882 VanDerWaalsContact O-OH 3.14Å; L1857-L1886 HydrophobicContact CD1-CD2 4.41Å; L1857-I1889 HydrophobicContact CD1-CD1 3.65Å; L1857-F1897 HydrophobicContact CD1-CE1 3.95Å; L1857-F1897 HydrophobicContact CD1-CZ 3.7Å; L1857-I1904 HydrophobicContact CB-CD1 3.98Å; L1857-I1904 HydrophobicContact CD1-CD1 4.09Å |
| 1858 | M | 93.4 | Very high | 85.6 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.1 | -80.5 | -57.9 | -60 | 0 | 0 | 113 | E1854 R1855 L1860 F1861 Y1862 I1904 H1907 | E1854-M1858 WeakPolarHBondContact O-CB 3.33Å; E1854-M1858 WeakPolarHBondContact O-CG 3.36Å; E1854-M1858 PolarHBondContact O-N 3.14Å; R1855-M1858 PolarHBondContact O-N 3.37Å; M1858-L1860 VanDerWaalsContact C-N 3.34Å; M1858-F1861 WeakPolarHBondContact O-CB 3.18Å; M1858-F1861 PolarHBondContact O-N 2.93Å; M1858-Y1862 HydrophobicContact CB-CE2 4.48Å; M1858-Y1862 HydrophobicContact CE-CE1 4.44Å; M1858-Y1862 HydrophobicContact CE-CE2 3.81Å; M1858-Y1862 WeakPolarHBondContact O-CD2 3.31Å; M1858-Y1862 PolarHBondContact O-N 2.94Å; M1858-I1904 HydrophobicContact CG-CG1 3.85Å; M1858-I1904 HydrophobicContact SD-CB 4.23Å; M1858-I1904 HydrophobicContact SD-CG1 3.8Å; M1858-I1904 HydrophobicContact SD-CG2 4.16Å; M1858-H1907 HydrophobicContact CE-CB 4.3Å; M1858-H1907 WeakPolarHBondContact CE-ND1 3.42Å |
| 1859 | M | 92.9 | Very high | 85.4 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.5 | -34.9 | 175.7 | -68.3 | -61.2 | -73.1 | 0 | 0 | 111.5 | D1801 V1804 R1855 Y1862 G1863 | D1801-M1859 HydrophobicContact CB-CE 4.22Å; V1804-M1859 HydrophobicContact CB-CB 4.19Å; V1804-M1859 VanDerWaalsContact CG1-C 3.47Å; V1804-M1859 HydrophobicContact CG1-CB 3.68Å; V1804-M1859 HydrophobicContact CG2-CB 4.41Å; R1855-M1859 HydrophobicContact CG-CG 3.89Å; R1855-M1859 VanDerWaalsContact O-CB 3.27Å; R1855-M1859 WeakPolarHBondContact O-CB 3.48Å; R1855-M1859 VanDerWaalsContact O-CG 3.25Å; R1855-M1859 WeakPolarHBondContact O-CG 3.42Å; R1855-M1859 PolarHBondContact O-N 3.43Å; M1859-Y1862 PolarHBondContact O-N 3.38Å; M1859-Y1862 HydrophobicContact SD-CD2 4.02Å; M1859-G1863 PolarHBondContact O-N 2.89Å |
| 1860 | L | 93.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 173.7 | 179.4 | 61.1 | 0 | 0 | 0 | 110.1 | V1804 I1808 I1811 L1826 I1829 M1830 M1856 L1857 M1858 G1863 L1864 | V1804-L1860 HydrophobicContact CG1-CB 4.06Å; V1804-L1860 VanDerWaalsContact CG1-N 3.33Å; I1808-L1860 HydrophobicContact CG1-CD1 4.39Å; I1811-L1860 HydrophobicContact CD1-CD1 4.25Å; L1826-L1860 HydrophobicContact CD1-CD1 4.41Å; L1826-L1860 HydrophobicContact CD1-CD2 4.16Å; I1829-L1860 HydrophobicContact CG2-CD2 4.34Å; M1830-L1860 HydrophobicContact SD-CD2 3.78Å; M1856-L1860 WeakPolarHBondContact O-CB 3.42Å; M1856-L1860 PolarHBondContact O-N 3.39Å; M1856-L1860 VanDerWaalsContact O-N 3.15Å; L1857-L1860 PolarHBondContact O-N 2.92Å; M1858-L1860 VanDerWaalsContact C-N 3.34Å; L1860-G1863 PolarHBondContact O-N 2.8Å; L1860-L1864 HydrophobicContact CD1-CD1 4.28Å; L1860-L1864 HydrophobicContact CD1-CG 4.37Å; L1860-L1864 HydrophobicContact CG-CD1 4.07Å; L1860-L1864 WeakPolarHBondContact O-CB 3.48Å; L1860-L1864 VanDerWaalsContact O-CG 3.26Å; L1860-L1864 WeakPolarHBondContact O-CG 3.3Å; L1860-L1864 PolarHBondContact O-N 2.63Å |
| 1861 | F | 93.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 173.5 | 177.7 | -98 | 0 | 0 | 0 | 112.8 | L1857 M1858 G1863 L1864 T1865 L1879 Y1882 Q1909 F1910 | L1857-F1861 WeakPolarHBondContact O-CB 3.3Å; L1857-F1861 PolarHBondContact O-N 3.36Å; M1858-F1861 WeakPolarHBondContact O-CB 3.18Å; M1858-F1861 PolarHBondContact O-N 2.93Å; F1861-G1863 VanDerWaalsContact C-N 3.32Å; F1861-G1863 PolarHBondContact O-N 3.42Å; F1861-L1864 PolarHBondContact O-N 2.87Å; F1861-T1865 HydrophobicContact CD2-CG2 4.18Å; F1861-T1865 HydrophobicContact CE1-CG2 4.2Å; F1861-T1865 HydrophobicContact CE2-CG2 3.73Å; F1861-T1865 HydrophobicContact CZ-CG2 3.72Å; F1861-T1865 WeakPolarHBondContact O-CB 3.27Å; F1861-T1865 WeakPolarHBondContact O-CG2 3.48Å; F1861-T1865 PolarHBondContact O-N 3.2Å; F1861-T1865 PolarHBondContact O-OG1 3.48Å; F1861-L1879 HydrophobicContact CD2-CD2 4.36Å; F1861-L1879 HydrophobicContact CE2-CD2 3.67Å; F1861-Y1882 HydrophobicContact CB-CE1 4.06Å; F1861-Y1882 HydrophobicContact CB-CE2 4.17Å; F1861-Y1882 AromaticContact CD2-CD1 3.89Å; F1861-Y1882 HydrophobicContact CD2-CD1 3.89Å; F1861-Y1882 AromaticContact CD2-CE1 3.72Å; F1861-Y1882 HydrophobicContact CD2-CE1 3.72Å; F1861-Y1882 HydrophobicContact CG-CE1 4.21Å; F1861-Q1909 HydrophobicContact CE1-CB 4.34Å; F1861-Q1909 HydrophobicContact CE1-CG 4.02Å; F1861-F1910 AromaticContact CD2-CD2 3.94Å; F1861-F1910 HydrophobicContact CD2-CD2 3.94Å; F1861-F1910 HydrophobicContact CD2-CE2 4.41Å; F1861-F1910 HydrophobicContact CE1-CB 4.3Å; F1861-F1910 HydrophobicContact CE1-CD2 4.47Å; F1861-F1910 AromaticContact CE2-CD2 3.58Å; F1861-F1910 HydrophobicContact CE2-CD2 3.58Å; F1861-F1910 HydrophobicContact CE2-CE2 4.16Å; F1861-F1910 HydrophobicContact CZ-CB 4.18Å; F1861-F1910 AromaticContact CZ-CD2 3.89Å; F1861-F1910 HydrophobicContact CZ-CD2 3.89Å; F1861-F1910 HydrophobicContact CZ-CG 4.46Å |
| 1862 | Y | 90.6 | Very high | 84.7 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 38% | 0.376 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 174.4 | -72.9 | -53.7 | 0 | 0 | 0 | 112.4 | M1858 M1859 T1865 A1866 H1907 Q1909 | M1858-Y1862 HydrophobicContact CB-CE2 4.48Å; M1858-Y1862 HydrophobicContact CE-CE1 4.44Å; M1858-Y1862 HydrophobicContact CE-CE2 3.81Å; M1858-Y1862 WeakPolarHBondContact O-CD2 3.31Å; M1858-Y1862 PolarHBondContact O-N 2.94Å; M1859-Y1862 PolarHBondContact O-N 3.38Å; M1859-Y1862 HydrophobicContact SD-CD2 4.02Å; Y1862-T1865 PolarHBondContact O-N 3.49Å; Y1862-A1866 PolarHBondContact O-N 3.12Å; Y1862-H1907 AromaticContact CZ-CE1 3.96Å; Y1862-H1907 PolarHBondContact OH-CE1 3.37Å; Y1862-Q1909 HydrophobicContact CE1-CB 4.26Å; Y1862-Q1909 HydrophobicContact CE1-CG 4.15Å |
| 1863 | G | 87.7 | Confident | 84.4 | Confident | 9 Ų | 9 | 53 Ų | 53 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1859 L1860 F1861 T1865 | M1859-G1863 PolarHBondContact O-N 2.89Å; L1860-G1863 PolarHBondContact O-N 2.8Å; F1861-G1863 VanDerWaalsContact C-N 3.32Å; F1861-G1863 PolarHBondContact O-N 3.42Å; G1863-T1865 VanDerWaalsContact C-N 3.28Å; G1863-T1865 PolarHBondContact O-N 3.35Å |
| 1864 | L | 87.1 | Confident | 83.9 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.4 | -22.2 | 177.5 | -68.8 | 170.1 | 0 | 0 | 0 | 113.4 | I1811 L1826 L1860 F1861 M1878 Y1882 | I1811-L1864 HydrophobicContact CD1-CD2 4.21Å; L1826-L1864 HydrophobicContact CD1-CD1 3.84Å; L1826-L1864 HydrophobicContact CD1-CD2 4.47Å; L1826-L1864 HydrophobicContact CD2-CD1 3.65Å; L1826-L1864 HydrophobicContact CD2-CD2 4.01Å; L1826-L1864 HydrophobicContact CG-CD1 4.42Å; L1860-L1864 HydrophobicContact CD1-CD1 4.28Å; L1860-L1864 HydrophobicContact CD1-CG 4.37Å; L1860-L1864 HydrophobicContact CG-CD1 4.07Å; L1860-L1864 WeakPolarHBondContact O-CB 3.48Å; L1860-L1864 VanDerWaalsContact O-CG 3.26Å; L1860-L1864 WeakPolarHBondContact O-CG 3.3Å; L1860-L1864 PolarHBondContact O-N 2.63Å; F1861-L1864 PolarHBondContact O-N 2.87Å; L1864-M1878 HydrophobicContact CD2-CB 4.34Å; L1864-M1878 HydrophobicContact CD2-SD 4.01Å; L1864-Y1882 HydrophobicContact CD1-CD2 4.29Å |
| 1865 | T | 84.4 | Confident | 83.3 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -106.6 | 3 | -178.9 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | F1861 Y1862 G1863 L1879 T1913 | F1861-T1865 HydrophobicContact CD2-CG2 4.18Å; F1861-T1865 HydrophobicContact CE1-CG2 4.2Å; F1861-T1865 HydrophobicContact CE2-CG2 3.73Å; F1861-T1865 HydrophobicContact CZ-CG2 3.72Å; F1861-T1865 WeakPolarHBondContact O-CB 3.27Å; F1861-T1865 WeakPolarHBondContact O-CG2 3.48Å; F1861-T1865 PolarHBondContact O-N 3.2Å; F1861-T1865 PolarHBondContact O-OG1 3.48Å; Y1862-T1865 PolarHBondContact O-N 3.49Å; G1863-T1865 VanDerWaalsContact C-N 3.28Å; G1863-T1865 PolarHBondContact O-N 3.35Å; T1865-L1879 HydrophobicContact CG2-CD2 3.77Å; T1865-T1913 HydrophobicContact CG2-CG2 3.77Å |
| 1866 | A | 80.3 | Confident | 82.7 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -60.9 | 149.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1862 D1868 | Y1862-A1866 PolarHBondContact O-N 3.12Å; A1866-D1868 PolarHBondContact O-N 3.49Å |
| 1867 | R | 71.7 | Confident | 82.2 | Confident | 252 Ų | 252 | 56.8 Ų | 56.8 | 95% | 0.951 | 31% | 0.305 | S | S | * | . | trans | -77.6 | 58.4 | 178.8 | -67.8 | -178.6 | 171.6 | -166.9 | -6.9 | 112 | ||||
| 1868 | D | 74.2 | Confident | 81.9 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | trans | -98.8 | 122.7 | 179.7 | -164.8 | -47.2 | 0 | 0 | 0 | 110.7 | K1812 A1866 M1870 L1871 A1872 | K1812-D1868 WeakPolarHBondContact CE-OD2 3.49Å; K1812-D1868 IonicContact NZ-OD2 3.77Å; K1812-D1868 PolarHBondContact NZ-OD2 3.38Å; A1866-D1868 PolarHBondContact O-N 3.49Å; D1868-M1870 PolarHBondContact O-N 3.29Å; D1868-M1870 VanDerWaalsContact OD1-CB 3.32Å; D1868-M1870 WeakPolarHBondContact OD1-CB 3.39Å; D1868-M1870 PolarHBondContact OD1-N 2.89Å; D1868-L1871 HydrophobicContact CB-CB 4.49Å; D1868-L1871 HydrophobicContact CB-CD1 4.32Å; D1868-L1871 HydrophobicContact CB-CG 4.34Å; D1868-L1871 PolarHBondContact O-N 3Å; D1868-L1871 VanDerWaalsContact O-N 3.1Å; D1868-A1872 PolarHBondContact O-N 3.4Å | ||
| 1869 | P | 76.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 71% | 0.708 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.4 | 178.6 | 26.4 | -34.8 | 0 | 0 | 0 | 113.3 | L1871 | P1869-L1871 PolarHBondContact O-N 3.13Š|
| 1870 | M | 73.5 | Confident | 81.2 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -12.6 | 177.2 | -60.3 | -172.6 | 71 | 0 | 0 | 113.7 | K1812 K1822 D1868 | K1812-M1870 WeakPolarHBondContact O-CE 3.4Å; K1822-M1870 PolarHBondContact NZ-O 3.15Å; D1868-M1870 PolarHBondContact O-N 3.29Å; D1868-M1870 VanDerWaalsContact OD1-CB 3.32Å; D1868-M1870 WeakPolarHBondContact OD1-CB 3.39Å; D1868-M1870 PolarHBondContact OD1-N 2.89Å |
| 1871 | L | 78.2 | Confident | 81 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -11.3 | -178.7 | -62.6 | -179.1 | 0 | 0 | 0 | 113.5 | I1811 K1812 D1868 P1869 D1873 G1875 M1878 | I1811-L1871 HydrophobicContact CG2-CD2 3.98Å; K1812-L1871 HydrophobicContact CG-CD1 4.32Å; K1812-L1871 HydrophobicContact CG-CD2 3.89Å; K1812-L1871 HydrophobicContact CG-CG 4.11Å; D1868-L1871 HydrophobicContact CB-CB 4.49Å; D1868-L1871 HydrophobicContact CB-CD1 4.32Å; D1868-L1871 HydrophobicContact CB-CG 4.34Å; D1868-L1871 PolarHBondContact O-N 3Å; D1868-L1871 VanDerWaalsContact O-N 3.1Å; P1869-L1871 PolarHBondContact O-N 3.13Å; L1871-D1873 PolarHBondContact O-N 3.02Å; L1871-G1875 WeakPolarHBondContact O-CA 3.08Å; L1871-G1875 PolarHBondContact O-N 2.9Å; L1871-G1875 VanDerWaalsContact O-N 3.14Å; L1871-M1878 HydrophobicContact CB-CE 3.91Å; L1871-M1878 HydrophobicContact CD2-CE 3.98Å; L1871-M1878 HydrophobicContact CD2-SD 4.34Å; L1871-M1878 HydrophobicContact CG-CE 4.48Å; L1871-M1878 VanDerWaalsContact O-CE 3.24Å; L1871-M1878 WeakPolarHBondContact O-CE 3.26Å |
| 1872 | A | 73 | Confident | 80.9 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 55% | 0.554 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -48.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1868 E1874 G1875 | D1868-A1872 PolarHBondContact O-N 3.4Å; A1872-E1874 PolarHBondContact O-N 3.32Å; A1872-G1875 PolarHBondContact O-N 3.17Å |
| 1873 | D | 72 | Confident | 81 | Confident | 162 Ų | 162 | 51.7 Ų | 51.7 | 87% | 0.866 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -33.3 | -171.8 | -62.7 | -29.4 | 0 | 0 | 0 | 113.7 | L1871 | L1871-D1873 PolarHBondContact O-N 3.02Š|
| 1874 | E | 76.1 | Confident | 81 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -1.9 | 178 | -69.9 | -172.1 | -163.4 | 0 | 0 | 113 | K1822 V1823 A1872 A1876 Q1877 M1878 | K1822-E1874 WeakPolarHBondContact CA-OE2 3.39Å; K1822-E1874 VanDerWaalsContact CB-OE2 3.24Å; K1822-E1874 WeakPolarHBondContact CB-OE2 3.43Å; K1822-E1874 PolarHBondContact N-OE2 2.96Å; K1822-E1874 VanDerWaalsContact N-OE2 3.08Å; V1823-E1874 HydrophobicContact CG2-CB 4.07Å; V1823-E1874 HydrophobicContact CG2-CG 4.42Å; V1823-E1874 WeakPolarHBondContact CG2-OE2 3.15Å; V1823-E1874 PolarHBondContact N-OE2 2.86Å; V1823-E1874 VanDerWaalsContact N-OE2 3.14Å; A1872-E1874 PolarHBondContact O-N 3.32Å; E1874-A1876 PolarHBondContact O-N 3.04Å; E1874-Q1877 WeakPolarHBondContact O-CA 3.46Å; E1874-Q1877 WeakPolarHBondContact O-CB 3.34Å; E1874-Q1877 PolarHBondContact O-N 3.17Å; E1874-M1878 HydrophobicContact CB-CE 4.08Å; E1874-M1878 HydrophobicContact CB-CG 4.39Å; E1874-M1878 PolarHBondContact O-N 3.49Å |
| 1875 | G | 77.1 | Confident | 81.1 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.7 | -42.9 | -167 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1871 A1872 Q1877 M1878 L1879 | L1871-G1875 WeakPolarHBondContact O-CA 3.08Å; L1871-G1875 PolarHBondContact O-N 2.9Å; L1871-G1875 VanDerWaalsContact O-N 3.14Å; A1872-G1875 PolarHBondContact O-N 3.17Å; G1875-Q1877 VanDerWaalsContact C-N 3.31Å; G1875-Q1877 PolarHBondContact O-N 3.26Å; G1875-M1878 PolarHBondContact O-N 3.19Å; G1875-L1879 WeakPolarHBondContact O-CB 3.44Å; G1875-L1879 WeakPolarHBondContact O-CG 3.37Å; G1875-L1879 PolarHBondContact O-N 3.41Å |
| 1876 | A | 77.1 | Confident | 81.5 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.2 | -30.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1874 A1880 | E1874-A1876 PolarHBondContact O-N 3.04Å; A1876-A1880 PolarHBondContact O-N 3.4Å |
| 1877 | Q | 82.2 | Confident | 82 | Confident | 119 Ų | 119 | 53.3 Ų | 53.3 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -78.4 | -39.1 | 175.7 | -60.9 | -174.5 | 31 | 0 | 0 | 111 | V1823 E1874 G1875 L1879 A1880 T1881 | V1823-Q1877 HydrophobicContact CG1-CB 4.23Å; V1823-Q1877 HydrophobicContact CG2-CB 3.44Å; V1823-Q1877 VanDerWaalsContact CG2-CB 3.44Å; E1874-Q1877 WeakPolarHBondContact O-CA 3.46Å; E1874-Q1877 WeakPolarHBondContact O-CB 3.34Å; E1874-Q1877 PolarHBondContact O-N 3.17Å; G1875-Q1877 VanDerWaalsContact C-N 3.31Å; G1875-Q1877 PolarHBondContact O-N 3.26Å; Q1877-L1879 VanDerWaalsContact C-N 3.35Å; Q1877-L1879 PolarHBondContact O-N 3.41Å; Q1877-A1880 WeakPolarHBondContact O-CB 3.16Å; Q1877-A1880 PolarHBondContact O-N 3.46Å; Q1877-T1881 PolarHBondContact O-N 2.67Å; Q1877-T1881 PolarHBondContact O-OG1 2.74Å |
| 1878 | M | 86.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 173.8 | -69.5 | -172.4 | -68.6 | 0 | 0 | 111.9 | I1811 K1822 V1823 L1826 L1864 L1871 E1874 G1875 A1880 T1881 Y1882 | I1811-M1878 HydrophobicContact CG2-SD 4.15Å; K1822-M1878 HydrophobicContact CB-SD 4Å; V1823-M1878 HydrophobicContact CG2-CG 3.88Å; L1826-M1878 HydrophobicContact CD2-CB 3.81Å; L1826-M1878 HydrophobicContact CD2-CG 4.2Å; L1826-M1878 VanDerWaalsContact CD2-O 3.32Å; L1826-M1878 WeakPolarHBondContact CD2-O 3.26Å; L1864-M1878 HydrophobicContact CD2-CB 4.34Å; L1864-M1878 HydrophobicContact CD2-SD 4.01Å; L1871-M1878 HydrophobicContact CB-CE 3.91Å; L1871-M1878 HydrophobicContact CD2-CE 3.98Å; L1871-M1878 HydrophobicContact CD2-SD 4.34Å; L1871-M1878 HydrophobicContact CG-CE 4.48Å; L1871-M1878 VanDerWaalsContact O-CE 3.24Å; L1871-M1878 WeakPolarHBondContact O-CE 3.26Å; E1874-M1878 HydrophobicContact CB-CE 4.08Å; E1874-M1878 HydrophobicContact CB-CG 4.39Å; E1874-M1878 PolarHBondContact O-N 3.49Å; G1875-M1878 PolarHBondContact O-N 3.19Å; M1878-A1880 PolarHBondContact O-N 2.79Å; M1878-T1881 PolarHBondContact O-N 3.24Å; M1878-Y1882 PolarHBondContact O-N 2.98Å |
| 1879 | L | 87.2 | Confident | 83.7 | Confident | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.1 | -43 | 171.5 | -79.9 | 168.8 | 0 | 0 | 0 | 112.6 | F1861 T1865 G1875 Q1877 Y1882 C1883 T1913 V1918 | F1861-L1879 HydrophobicContact CD2-CD2 4.36Å; F1861-L1879 HydrophobicContact CE2-CD2 3.67Å; T1865-L1879 HydrophobicContact CG2-CD2 3.77Å; G1875-L1879 WeakPolarHBondContact O-CB 3.44Å; G1875-L1879 WeakPolarHBondContact O-CG 3.37Å; G1875-L1879 PolarHBondContact O-N 3.41Å; Q1877-L1879 VanDerWaalsContact C-N 3.35Å; Q1877-L1879 PolarHBondContact O-N 3.41Å; L1879-Y1882 PolarHBondContact O-N 3.37Å; L1879-C1883 PolarHBondContact O-N 2.99Å; L1879-C1883 PolarHBondContact O-SG 2.96Å; L1879-T1913 HydrophobicContact CD1-CG2 4.07Å; L1879-T1913 HydrophobicContact CD2-CG2 4.43Å; L1879-V1918 HydrophobicContact CD1-CG2 4.07Å |
| 1880 | A | 84.3 | Confident | 84.5 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A1876 Q1877 M1878 C1883 N1884 I1926 | A1876-A1880 PolarHBondContact O-N 3.4Å; Q1877-A1880 WeakPolarHBondContact O-CB 3.16Å; Q1877-A1880 PolarHBondContact O-N 3.46Å; M1878-A1880 PolarHBondContact O-N 2.79Å; A1880-C1883 PolarHBondContact O-N 2.82Å; A1880-N1884 VanDerWaalsContact O-CG 3.23Å; A1880-N1884 PolarHBondContact O-N 2.99Å; A1880-N1884 PolarHBondContact O-ND2 3.46Å; A1880-I1926 HydrophobicContact CB-CD1 3.77Å |
| 1881 | T | 88.1 | Confident | 85.4 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 175.3 | -66 | 0 | 0 | 0 | 0 | 112.4 | V1823 L1826 N1827 Q1877 M1878 C1883 N1884 G1885 | V1823-T1881 WeakPolarHBondContact CG1-OG1 3.44Å; L1826-T1881 HydrophobicContact CB-CG2 4.37Å; L1826-T1881 HydrophobicContact CD2-CG2 4.19Å; L1826-T1881 HydrophobicContact CG-CG2 3.99Å; N1827-T1881 HydrophobicContact CB-CG2 3.74Å; Q1877-T1881 PolarHBondContact O-N 2.67Å; Q1877-T1881 PolarHBondContact O-OG1 2.74Å; M1878-T1881 PolarHBondContact O-N 3.24Å; T1881-C1883 PolarHBondContact O-N 3.31Å; T1881-N1884 PolarHBondContact O-N 3.49Å; T1881-G1885 PolarHBondContact O-N 3.47Å |
| 1882 | Y | 92.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.3 | 178.8 | -96.1 | 0 | 0 | 0 | 111.7 | M1830 L1857 F1861 L1864 M1878 L1879 G1885 L1886 F1910 | M1830-Y1882 HydrophobicContact CE-CD2 4.01Å; M1830-Y1882 HydrophobicContact CE-CE2 4.22Å; M1830-Y1882 HydrophobicContact SD-CD2 4.08Å; M1830-Y1882 HydrophobicContact SD-CE2 4.49Å; L1857-Y1882 HydrophobicContact CD2-CE2 4.27Å; L1857-Y1882 PolarHBondContact O-OH 3.07Å; L1857-Y1882 VanDerWaalsContact O-OH 3.14Å; F1861-Y1882 HydrophobicContact CB-CE1 4.06Å; F1861-Y1882 HydrophobicContact CB-CE2 4.17Å; F1861-Y1882 AromaticContact CD2-CD1 3.89Å; F1861-Y1882 HydrophobicContact CD2-CD1 3.89Å; F1861-Y1882 AromaticContact CD2-CE1 3.72Å; F1861-Y1882 HydrophobicContact CD2-CE1 3.72Å; F1861-Y1882 HydrophobicContact CG-CE1 4.21Å; L1864-Y1882 HydrophobicContact CD1-CD2 4.29Å; M1878-Y1882 PolarHBondContact O-N 2.98Å; L1879-Y1882 PolarHBondContact O-N 3.37Å; Y1882-G1885 WeakPolarHBondContact O-CA 3.1Å; Y1882-G1885 PolarHBondContact O-N 3.36Å; Y1882-G1885 VanDerWaalsContact O-N 3.13Å; Y1882-L1886 HydrophobicContact CD1-CD1 4.27Å; Y1882-L1886 HydrophobicContact CD1-CG 4.47Å; Y1882-L1886 HydrophobicContact CE1-CD1 3.72Å; Y1882-L1886 HydrophobicContact CE1-CD2 4.44Å; Y1882-L1886 HydrophobicContact CE1-CG 4.05Å; Y1882-L1886 PolarHBondContact O-N 3.39Å; Y1882-F1910 HydrophobicContact CD1-CE2 4.07Å; Y1882-F1910 HydrophobicContact CE1-CD2 4.24Å; Y1882-F1910 AromaticContact CE1-CE2 3.79Å; Y1882-F1910 HydrophobicContact CE1-CE2 3.79Å |
| 1883 | C | 91.4 | Very high | 86.6 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -36.7 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | L1879 A1880 T1881 G1885 L1886 H1887 I1926 | L1879-C1883 PolarHBondContact O-N 2.99Å; L1879-C1883 PolarHBondContact O-SG 2.96Å; A1880-C1883 PolarHBondContact O-N 2.82Å; T1881-C1883 PolarHBondContact O-N 3.31Å; C1883-G1885 VanDerWaalsContact C-N 3.27Å; C1883-G1885 PolarHBondContact O-N 2.92Å; C1883-L1886 PolarHBondContact O-N 2.95Å; C1883-H1887 PolarHBondContact O-N 3.19Å; C1883-I1926 HydrophobicContact CB-CG2 3.27Å |
| 1884 | N | 87.9 | Confident | 87.5 | Confident | 85 Ų | 85 | 36.6 Ų | 36.6 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.1 | -37.1 | 170.7 | -69.6 | -23.3 | 0 | 0 | 0 | 111.2 | A1880 T1881 H1887 L1888 | A1880-N1884 VanDerWaalsContact O-CG 3.23Å; A1880-N1884 PolarHBondContact O-N 2.99Å; A1880-N1884 PolarHBondContact O-ND2 3.46Å; T1881-N1884 PolarHBondContact O-N 3.49Å; N1884-H1887 WeakPolarHBondContact O-CB 3.3Å; N1884-H1887 PolarHBondContact O-N 3.4Å; N1884-L1888 PolarHBondContact O-N 2.95Å |
| 1885 | G | 88.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1881 Y1882 C1883 H1887 L1888 I1889 | T1881-G1885 PolarHBondContact O-N 3.47Å; Y1882-G1885 WeakPolarHBondContact O-CA 3.1Å; Y1882-G1885 PolarHBondContact O-N 3.36Å; Y1882-G1885 VanDerWaalsContact O-N 3.13Å; C1883-G1885 VanDerWaalsContact C-N 3.27Å; C1883-G1885 PolarHBondContact O-N 2.92Å; G1885-H1887 PolarHBondContact O-N 3.12Å; G1885-L1888 WeakPolarHBondContact O-CB 3.32Å; G1885-L1888 PolarHBondContact O-N 3.45Å; G1885-I1889 PolarHBondContact O-N 2.89Å |
| 1886 | L | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -33.8 | 172.8 | -66.1 | -179.9 | 0 | 0 | 0 | 112.7 | L1857 Y1882 C1883 I1889 R1890 W1901 I1904 V1905 F1910 L1930 | L1857-L1886 HydrophobicContact CD1-CD2 4.41Å; Y1882-L1886 HydrophobicContact CD1-CD1 4.27Å; Y1882-L1886 HydrophobicContact CD1-CG 4.47Å; Y1882-L1886 HydrophobicContact CE1-CD1 3.72Å; Y1882-L1886 HydrophobicContact CE1-CD2 4.44Å; Y1882-L1886 HydrophobicContact CE1-CG 4.05Å; Y1882-L1886 PolarHBondContact O-N 3.39Å; C1883-L1886 PolarHBondContact O-N 2.95Å; L1886-I1889 HydrophobicContact CD2-CD1 4.39Å; L1886-I1889 CarbonylContact O-C 3.56Å; L1886-I1889 PolarHBondContact O-N 3.3Å; L1886-R1890 PolarHBondContact O-N 3.49Å; L1886-W1901 PolarHBondContact O-NE1 2.99Å; L1886-I1904 HydrophobicContact CD1-CG2 3.83Å; L1886-I1904 HydrophobicContact CD2-CD1 4.45Å; L1886-I1904 HydrophobicContact CD2-CG2 4.22Å; L1886-V1905 HydrophobicContact CD1-CG2 4.28Å; L1886-F1910 HydrophobicContact CD1-CE2 3.88Å; L1886-F1910 HydrophobicContact CD1-CZ 3.81Å; L1886-L1930 HydrophobicContact CB-CD2 4.14Å |
| 1887 | H | 92.5 | Very high | 89.2 | Confident | 52 Ų | 52 | 33.9 Ų | 33.9 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.2 | -31.3 | 173.8 | -179 | 76.8 | 0 | 0 | 0 | 113 | C1883 N1884 G1885 I1889 R1890 D1933 | C1883-H1887 PolarHBondContact O-N 3.19Å; N1884-H1887 WeakPolarHBondContact O-CB 3.3Å; N1884-H1887 PolarHBondContact O-N 3.4Å; G1885-H1887 PolarHBondContact O-N 3.12Å; H1887-I1889 VanDerWaalsContact C-N 3.31Å; H1887-I1889 PolarHBondContact O-N 3.02Å; H1887-R1890 PolarHBondContact CE1-NH1 2.65Å; H1887-R1890 VanDerWaalsContact CE1-NH1 3.27Å; H1887-R1890 WeakPolarHBondContact O-CB 3.43Å; H1887-R1890 WeakPolarHBondContact O-CD 3.43Å; H1887-R1890 WeakPolarHBondContact O-CG 3.37Å; H1887-R1890 PolarHBondContact O-N 3.03Å; H1887-R1890 PolarHBondContact O-NE 3.34Å; H1887-D1933 IonicContact CE1-OD1 2.8Å; H1887-D1933 PolarHBondContact CE1-OD1 3.43Å; H1887-D1933 VanDerWaalsContact CE1-OD1 3.28Å; H1887-D1933 IonicContact CE1-OD2 2.69Å; H1887-D1933 IonicContact CG-OD2 3.34Å; H1887-D1933 IonicContact ND1-OD1 2.76Å; H1887-D1933 PolarHBondContact ND1-OD1 3.47Å; H1887-D1933 IonicContact ND1-OD2 3.57Å; H1887-D1933 PolarHBondContact ND1-OD2 3.06Å |
| 1888 | L | 89.3 | Confident | 89.8 | Confident | 63 Ų | 63 | 28.2 Ų | 28.2 | 33% | 0.33 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.1 | -35.1 | 174 | -68.7 | 174.7 | 0 | 0 | 0 | 112.3 | V1831 T1834 N1884 G1885 R1893 | V1831-L1888 HydrophobicContact CG2-CD1 4.25Å; T1834-L1888 HydrophobicContact CG2-CB 4.34Å; N1884-L1888 PolarHBondContact O-N 2.95Å; G1885-L1888 WeakPolarHBondContact O-CB 3.32Å; G1885-L1888 PolarHBondContact O-N 3.45Å; L1888-R1893 PolarHBondContact O-NH1 3.44Å |
| 1889 | I | 90.5 | Very high | 90 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 25.4 | 179.8 | 64.6 | 167.6 | 0 | 0 | 0 | 113.7 | T1834 L1857 G1885 L1886 H1887 F1894 F1897 | T1834-I1889 HydrophobicContact CG2-CG2 3.9Å; L1857-I1889 HydrophobicContact CD1-CD1 3.65Å; G1885-I1889 PolarHBondContact O-N 2.89Å; L1886-I1889 HydrophobicContact CD2-CD1 4.39Å; L1886-I1889 CarbonylContact O-C 3.56Å; L1886-I1889 PolarHBondContact O-N 3.3Å; H1887-I1889 VanDerWaalsContact C-N 3.31Å; H1887-I1889 PolarHBondContact O-N 3.02Å; I1889-F1894 HydrophobicContact CB-CB 4.37Å; I1889-F1894 HydrophobicContact CB-CD1 3.93Å; I1889-F1894 HydrophobicContact CG2-CD1 4.43Å; I1889-F1897 HydrophobicContact CD1-CD1 4.05Å; I1889-F1897 HydrophobicContact CD1-CE1 3.79Å |
| 1890 | R | 93 | Very high | 90.3 | Very high | 58 Ų | 58 | 28.8 Ų | 28.8 | 22% | 0.219 | 14% | 0.142 | C | C | . | . | trans | -57.8 | 155.9 | 178.4 | 60.2 | -173.5 | 155.5 | 157.3 | -1.8 | 113.9 | L1886 H1887 Q1892 R1893 F1894 D1933 | L1886-R1890 PolarHBondContact O-N 3.49Å; H1887-R1890 PolarHBondContact CE1-NH1 2.65Å; H1887-R1890 VanDerWaalsContact CE1-NH1 3.27Å; H1887-R1890 WeakPolarHBondContact O-CB 3.43Å; H1887-R1890 WeakPolarHBondContact O-CD 3.43Å; H1887-R1890 WeakPolarHBondContact O-CG 3.37Å; H1887-R1890 PolarHBondContact O-N 3.03Å; H1887-R1890 PolarHBondContact O-NE 3.34Å; R1890-Q1892 PolarHBondContact O-N 2.99Å; R1890-R1893 HydrophobicContact CG-CG 4.31Å; R1890-R1893 PolarHBondContact O-N 3.13Å; R1890-F1894 PolarHBondContact O-N 2.95Å; R1890-D1933 HydrophobicContact CB-CB 4.08Å; R1890-D1933 VanDerWaalsContact CD-CG 3.43Å; R1890-D1933 WeakPolarHBondContact CD-OD1 3.33Å; R1890-D1933 IonicContact CZ-OD1 3.64Å; R1890-D1933 IonicContact NE-OD1 3.24Å; R1890-D1933 IonicContact NH1-OD1 3.8Å; R1890-D1933 PolarHBondContact NH1-OD1 3.35Å | ||
| 1891 | P | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -26.8 | -175.4 | -31.6 | 37.5 | 0 | 0 | 0 | 116.6 | P1895 T1898 W1901 I1934 F1937 | P1891-P1895 WeakPolarHBondContact O-CA 3.48Å; P1891-P1895 WeakPolarHBondContact O-CB 3.5Å; P1891-T1898 HydrophobicContact CB-CG2 4.16Å; P1891-T1898 HydrophobicContact CG-CG2 4.25Å; P1891-W1901 HydrophobicContact CG-CD2 4.06Å; P1891-W1901 HydrophobicContact CG-CE3 4.03Å; P1891-W1901 HydrophobicContact CG-CG 4.4Å; P1891-W1901 HydrophobicContact CG-CZ3 4.49Å; P1891-I1934 HydrophobicContact CG-CD1 4.02Å; P1891-F1937 HydrophobicContact CB-CB 3.92Å; P1891-F1937 HydrophobicContact CB-CD1 4.03Å; P1891-F1937 HydrophobicContact CB-CD2 3.61Å; P1891-F1937 HydrophobicContact CB-CE1 4.47Å; P1891-F1937 HydrophobicContact CB-CE2 4.08Å; P1891-F1937 HydrophobicContact CB-CG 3.57Å; P1891-F1937 HydrophobicContact CB-CZ 4.48Å; P1891-F1937 WeakPolarHBondContact O-CD2 3.39Å |
| 1892 | Q | 89.5 | Confident | 91.1 | Very high | 96 Ų | 96 | 27.8 Ų | 27.8 | 45% | 0.449 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.8 | 174.5 | -70.6 | -169.9 | -28 | 0 | 0 | 114.6 | R1890 Q1936 F1937 | R1890-Q1892 PolarHBondContact O-N 2.99Å; Q1892-Q1936 PolarHBondContact NE2-O 3.32Å; Q1892-Q1936 VanDerWaalsContact NE2-O 3.1Å; Q1892-F1937 HydrophobicContact CG-CB 4.11Å; Q1892-F1937 HydrophobicContact CG-CD2 4.48Å |
| 1893 | R | 88.6 | Confident | 91 | Very high | 119 Ų | 119 | 32.3 Ų | 32.3 | 45% | 0.449 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -32.1 | 178.9 | -62.6 | -169.4 | 72.8 | -137.2 | 4.8 | 112.6 | L1888 R1890 | L1888-R1893 PolarHBondContact O-NH1 3.44Å; R1890-R1893 HydrophobicContact CG-CG 4.31Å; R1890-R1893 PolarHBondContact O-N 3.13Å |
| 1894 | F | 89.7 | Confident | 91.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -128 | 58.9 | -176.5 | -162.3 | -142.8 | 0 | 0 | 0 | 110 | L1837 L1838 Q1841 M1848 I1853 I1889 R1890 I1896 F1897 | L1837-F1894 HydrophobicContact CB-CE1 4.34Å; L1837-F1894 HydrophobicContact CB-CE2 4.4Å; L1837-F1894 HydrophobicContact CB-CZ 3.9Å; L1837-F1894 VanDerWaalsContact O-CE2 3.26Å; L1837-F1894 WeakPolarHBondContact O-CE2 3.48Å; L1838-F1894 HydrophobicContact CD2-CB 3.95Å; L1838-F1894 HydrophobicContact CD2-CD2 3.82Å; L1838-F1894 HydrophobicContact CD2-CG 4.05Å; Q1841-F1894 HydrophobicContact CB-CD2 4.16Å; Q1841-F1894 HydrophobicContact CB-CE2 3.96Å; Q1841-F1894 HydrophobicContact CG-CD2 4.29Å; Q1841-F1894 HydrophobicContact CG-CE2 4.33Å; M1848-F1894 HydrophobicContact CE-CE2 3.76Å; M1848-F1894 HydrophobicContact CE-CZ 3.76Å; M1848-F1894 HydrophobicContact SD-CE2 3.9Å; M1848-F1894 HydrophobicContact SD-CZ 4.07Å; I1853-F1894 HydrophobicContact CD1-CE1 4.3Å; I1853-F1894 HydrophobicContact CD1-CZ 3.9Å; I1889-F1894 HydrophobicContact CB-CB 4.37Å; I1889-F1894 HydrophobicContact CB-CD1 3.93Å; I1889-F1894 HydrophobicContact CG2-CD1 4.43Å; R1890-F1894 PolarHBondContact O-N 2.95Å; F1894-I1896 HydrophobicContact CD1-CG2 4.38Å; F1894-I1896 HydrophobicContact CD2-CG2 3.38Å; F1894-I1896 HydrophobicContact CE1-CG2 4.31Å; F1894-I1896 HydrophobicContact CE2-CG2 3.26Å; F1894-I1896 HydrophobicContact CG-CG2 3.93Å; F1894-I1896 HydrophobicContact CZ-CG2 3.76Å; F1894-I1896 PolarHBondContact O-N 3.43Å; F1894-I1896 VanDerWaalsContact O-N 3.08Å; F1894-F1897 HydrophobicContact CD1-CB 3.17Å; F1894-F1897 AromaticContact CD1-CD1 3.85Å; F1894-F1897 HydrophobicContact CD1-CD1 3.85Å; F1894-F1897 HydrophobicContact CD1-CD2 4.48Å; F1894-F1897 AromaticContact CD1-CG 3.61Å; F1894-F1897 HydrophobicContact CD1-CG 3.61Å; F1894-F1897 HydrophobicContact CE1-CB 3.38Å; F1894-F1897 HydrophobicContact CE1-CD1 4.04Å; F1894-F1897 AromaticContact CE1-CD2 3.97Å; F1894-F1897 HydrophobicContact CE1-CD2 3.97Å; F1894-F1897 AromaticContact CE1-CG 3.54Å; F1894-F1897 HydrophobicContact CE1-CG 3.54Å; F1894-F1897 HydrophobicContact CG-CB 3.89Å; F1894-F1897 HydrophobicContact CZ-CB 4.22Å; F1894-F1897 WeakPolarHBondContact O-CB 3.41Å; F1894-F1897 PolarHBondContact O-N 3Å | ||
| 1895 | P | 89.5 | Confident | 91.5 | Very high | 51 Ų | 51 | 28.3 Ų | 28.3 | 33% | 0.331 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -57.9 | -25.8 | -172.5 | 22.8 | -35.7 | 0 | 0 | 0 | 113.9 | Q1841 P1891 F1897 T1898 F1937 | Q1841-P1895 VanDerWaalsContact OE1-CD 3.24Å; P1891-P1895 WeakPolarHBondContact O-CA 3.48Å; P1891-P1895 WeakPolarHBondContact O-CB 3.5Å; P1895-F1897 PolarHBondContact O-N 2.94Å; P1895-T1898 WeakPolarHBondContact O-CB 3.48Å; P1895-T1898 PolarHBondContact O-N 3.47Å; P1895-T1898 PolarHBondContact O-OG1 3.35Å; P1895-F1937 HydrophobicContact CB-CE2 4.33Å |
| 1896 | I | 86.9 | Confident | 91.6 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -51.3 | -38.9 | 171.3 | -171.2 | 125.3 | 0 | 0 | 0 | 113.1 | L877 Q1841 R1845 M1848 T1850 F1894 | L877-I1896 HydrophobicContact CB-CD1 4.08Å; L877-I1896 HydrophobicContact CD1-CB 4.4Å; L877-I1896 HydrophobicContact CD1-CD1 4.49Å; L877-I1896 HydrophobicContact CD2-CG1 4.28Å; L877-I1896 HydrophobicContact CG-CB 4.15Å; L877-I1896 HydrophobicContact CG-CD1 3.76Å; L877-I1896 HydrophobicContact CG-CG1 3.82Å; Q1841-I1896 HydrophobicContact CG-CB 4.32Å; Q1841-I1896 HydrophobicContact CG-CG2 3.95Å; Q1841-I1896 VanDerWaalsContact OE1-CG2 3.28Å; R1845-I1896 WeakPolarHBondContact O-CD1 3.02Å; M1848-I1896 HydrophobicContact CB-CD1 3.58Å; M1848-I1896 HydrophobicContact CB-CG1 4.32Å; M1848-I1896 HydrophobicContact CG-CD1 4.27Å; M1848-I1896 HydrophobicContact SD-CB 4.47Å; M1848-I1896 HydrophobicContact SD-CD1 3.87Å; M1848-I1896 HydrophobicContact SD-CG1 3.98Å; M1848-I1896 HydrophobicContact SD-CG2 3.82Å; T1850-I1896 HydrophobicContact CG2-CG1 3.66Å; F1894-I1896 HydrophobicContact CD1-CG2 4.38Å; F1894-I1896 HydrophobicContact CD2-CG2 3.38Å; F1894-I1896 HydrophobicContact CE1-CG2 4.31Å; F1894-I1896 HydrophobicContact CE2-CG2 3.26Å; F1894-I1896 HydrophobicContact CG-CG2 3.93Å; F1894-I1896 HydrophobicContact CZ-CG2 3.76Å; F1894-I1896 PolarHBondContact O-N 3.43Å; F1894-I1896 VanDerWaalsContact O-N 3.08Å |
| 1897 | F | 90.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -93 | -0.2 | -168 | -168.2 | -115 | 0 | 0 | 0 | 113 | T1850 I1853 E1854 L1857 I1889 F1894 P1895 Y1899 C1900 W1901 I1904 | T1850-F1897 HydrophobicContact CG2-CD2 4.24Å; I1853-F1897 HydrophobicContact CB-CD2 4.31Å; I1853-F1897 HydrophobicContact CB-CE2 3.77Å; I1853-F1897 HydrophobicContact CG2-CD2 4.19Å; I1853-F1897 HydrophobicContact CG2-CE2 3.63Å; I1853-F1897 HydrophobicContact CG2-CZ 4.01Å; E1854-F1897 HydrophobicContact CB-CE2 4.41Å; L1857-F1897 HydrophobicContact CD1-CE1 3.95Å; L1857-F1897 HydrophobicContact CD1-CZ 3.7Å; I1889-F1897 HydrophobicContact CD1-CD1 4.05Å; I1889-F1897 HydrophobicContact CD1-CE1 3.79Å; F1894-F1897 HydrophobicContact CD1-CB 3.17Å; F1894-F1897 AromaticContact CD1-CD1 3.85Å; F1894-F1897 HydrophobicContact CD1-CD1 3.85Å; F1894-F1897 HydrophobicContact CD1-CD2 4.48Å; F1894-F1897 AromaticContact CD1-CG 3.61Å; F1894-F1897 HydrophobicContact CD1-CG 3.61Å; F1894-F1897 HydrophobicContact CE1-CB 3.38Å; F1894-F1897 HydrophobicContact CE1-CD1 4.04Å; F1894-F1897 AromaticContact CE1-CD2 3.97Å; F1894-F1897 HydrophobicContact CE1-CD2 3.97Å; F1894-F1897 AromaticContact CE1-CG 3.54Å; F1894-F1897 HydrophobicContact CE1-CG 3.54Å; F1894-F1897 HydrophobicContact CG-CB 3.89Å; F1894-F1897 HydrophobicContact CZ-CB 4.22Å; F1894-F1897 WeakPolarHBondContact O-CB 3.41Å; F1894-F1897 PolarHBondContact O-N 3Å; P1895-F1897 PolarHBondContact O-N 2.94Å; F1897-Y1899 PolarHBondContact O-N 2.92Å; F1897-C1900 HydrophobicContact CD2-CB 3.61Å; F1897-C1900 HydrophobicContact CE1-CB 4.4Å; F1897-C1900 HydrophobicContact CE2-CB 3.25Å; F1897-C1900 HydrophobicContact CG-CB 4.29Å; F1897-C1900 HydrophobicContact CZ-CB 3.68Å; F1897-C1900 PolarHBondContact O-N 2.94Å; F1897-W1901 HydrophobicContact CD1-CB 3.65Å; F1897-W1901 HydrophobicContact CD1-CG 4.29Å; F1897-W1901 HydrophobicContact CE1-CB 3.87Å; F1897-W1901 HydrophobicContact CE1-CG 4.45Å; F1897-W1901 VanDerWaalsContact O-CB 3.27Å; F1897-W1901 WeakPolarHBondContact O-CB 3.24Å; F1897-W1901 PolarHBondContact O-N 3.12Å; F1897-I1904 HydrophobicContact CE1-CD1 4.1Å; F1897-I1904 HydrophobicContact CZ-CD1 3.76Å |
| 1898 | T | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -45.3 | -38.3 | -172.7 | -59.6 | 0 | 0 | 0 | 0 | 114.3 | P1891 P1895 M1902 I1934 F1937 V1954 | P1891-T1898 HydrophobicContact CB-CG2 4.16Å; P1891-T1898 HydrophobicContact CG-CG2 4.25Å; P1895-T1898 WeakPolarHBondContact O-CB 3.48Å; P1895-T1898 PolarHBondContact O-N 3.47Å; P1895-T1898 PolarHBondContact O-OG1 3.35Å; T1898-M1902 WeakPolarHBondContact O-CB 3.46Å; T1898-M1902 WeakPolarHBondContact O-CG 3.24Å; T1898-M1902 PolarHBondContact O-N 3.44Å; T1898-M1902 VanDerWaalsContact O-N 3.1Å; T1898-I1934 HydrophobicContact CG2-CD1 4.36Å; T1898-F1937 HydrophobicContact CG2-CD1 4.32Å; T1898-F1937 HydrophobicContact CG2-CE1 3.75Å; T1898-F1937 HydrophobicContact CG2-CZ 4.14Å; T1898-V1954 HydrophobicContact CG2-CG1 3.98Å; T1898-V1954 HydrophobicContact CG2-CG2 4.29Å |
| 1899 | Y | 91.6 | Very high | 91.4 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.5 | -57.8 | -176.7 | -40.7 | -48.7 | 0 | 0 | 0 | 111 | L877 S880 F881 N884 F1897 W1901 M1902 D1903 S1950 V1954 | L877-Y1899 HydrophobicContact CD2-CE2 4.21Å; S880-Y1899 WeakPolarHBondContact O-CE2 3.36Å; S880-Y1899 VanDerWaalsContact O-CZ 3.27Å; S880-Y1899 PolarHBondContact O-OH 2.86Å; S880-Y1899 WeakPolarHBondContact OG-CE2 3.48Å; F881-Y1899 WeakPolarHBondContact CA-OH 3.28Å; F881-Y1899 WeakPolarHBondContact CD2-OH 3.36Å; N884-Y1899 HydrophobicContact CB-CD1 3.9Å; N884-Y1899 HydrophobicContact CB-CE1 3.49Å; N884-Y1899 VanDerWaalsContact CB-CE1 3.49Å; N884-Y1899 WeakPolarHBondContact ND2-CD1 3.27Å; N884-Y1899 WeakPolarHBondContact ND2-CD2 3.49Å; N884-Y1899 WeakPolarHBondContact ND2-CE1 3.44Å; F1897-Y1899 PolarHBondContact O-N 2.92Å; Y1899-W1901 PolarHBondContact O-N 3.35Å; Y1899-W1901 VanDerWaalsContact O-N 3.16Å; Y1899-M1902 CarbonylContact O-C 3.48Å; Y1899-M1902 WeakPolarHBondContact O-CA 3.37Å; Y1899-M1902 WeakPolarHBondContact O-CB 3.33Å; Y1899-M1902 PolarHBondContact O-N 3.37Å; Y1899-D1903 VanDerWaalsContact C-OD2 3.3Å; Y1899-D1903 PolarHBondContact O-N 2.96Å; Y1899-S1950 WeakPolarHBondContact OH-CB 3.19Å; Y1899-S1950 PolarHBondContact OH-OG 2.92Å; Y1899-V1954 HydrophobicContact CD1-CG2 3.97Å; Y1899-V1954 HydrophobicContact CE1-CG2 3.54Å |
| 1900 | C | 92.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.9 | -38.3 | 173.4 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | T1850 E1854 F1897 D1903 I1904 | T1850-C1900 VanDerWaalsContact CB-SG 3.58Å; T1850-C1900 PolarHBondContact OG1-SG 3.27Å; E1854-C1900 HydrophobicContact CB-CB 3.83Å; E1854-C1900 HydrophobicContact CG-CB 3.83Å; E1854-C1900 PolarHBondContact OE2-SG 3.08Å; F1897-C1900 HydrophobicContact CD2-CB 3.61Å; F1897-C1900 HydrophobicContact CE1-CB 4.4Å; F1897-C1900 HydrophobicContact CE2-CB 3.25Å; F1897-C1900 HydrophobicContact CG-CB 4.29Å; F1897-C1900 HydrophobicContact CZ-CB 3.68Å; F1897-C1900 PolarHBondContact O-N 2.94Å; C1900-D1903 PolarHBondContact O-N 3.38Å; C1900-I1904 WeakPolarHBondContact O-CD1 3.44Å; C1900-I1904 WeakPolarHBondContact O-CG1 3.42Å; C1900-I1904 PolarHBondContact O-N 2.9Å |
| 1901 | W | 94.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 173 | -169.2 | 99.1 | 0 | 0 | 0 | 111.9 | L1886 P1891 F1897 Y1899 V1905 L1930 D1933 I1934 | L1886-W1901 PolarHBondContact O-NE1 2.99Å; P1891-W1901 HydrophobicContact CG-CD2 4.06Å; P1891-W1901 HydrophobicContact CG-CE3 4.03Å; P1891-W1901 HydrophobicContact CG-CG 4.4Å; P1891-W1901 HydrophobicContact CG-CZ3 4.49Å; F1897-W1901 HydrophobicContact CD1-CB 3.65Å; F1897-W1901 HydrophobicContact CD1-CG 4.29Å; F1897-W1901 HydrophobicContact CE1-CB 3.87Å; F1897-W1901 HydrophobicContact CE1-CG 4.45Å; F1897-W1901 VanDerWaalsContact O-CB 3.27Å; F1897-W1901 WeakPolarHBondContact O-CB 3.24Å; F1897-W1901 PolarHBondContact O-N 3.12Å; Y1899-W1901 PolarHBondContact O-N 3.35Å; Y1899-W1901 VanDerWaalsContact O-N 3.16Å; W1901-V1905 HydrophobicContact CD2-CG2 4.21Å; W1901-V1905 HydrophobicContact CE3-CB 4.48Å; W1901-V1905 HydrophobicContact CE3-CG2 4.01Å; W1901-V1905 HydrophobicContact CH2-CG2 4.01Å; W1901-V1905 HydrophobicContact CZ2-CG2 4.22Å; W1901-V1905 HydrophobicContact CZ3-CB 4.28Å; W1901-V1905 HydrophobicContact CZ3-CG1 4.45Å; W1901-V1905 HydrophobicContact CZ3-CG2 3.9Å; W1901-V1905 WeakPolarHBondContact O-CB 3.37Å; W1901-V1905 WeakPolarHBondContact O-CG2 3.39Å; W1901-V1905 PolarHBondContact O-N 2.68Å; W1901-L1930 HydrophobicContact CH2-CB 3.9Å; W1901-L1930 HydrophobicContact CH2-CD2 4.32Å; W1901-L1930 WeakPolarHBondContact CH2-O 3.48Å; W1901-L1930 HydrophobicContact CZ2-CB 4.27Å; W1901-L1930 HydrophobicContact CZ2-CD2 3.81Å; W1901-D1933 HydrophobicContact CH2-CB 4.32Å; W1901-D1933 HydrophobicContact CZ2-CB 4.4Å; W1901-I1934 HydrophobicContact CZ3-CB 4.04Å |
| 1902 | M | 94.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.069 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 174.5 | -87.9 | -165.5 | 72.2 | 0 | 0 | 113.3 | T1898 Y1899 V1905 G1906 I1934 V1954 F1958 I1961 | T1898-M1902 WeakPolarHBondContact O-CB 3.46Å; T1898-M1902 WeakPolarHBondContact O-CG 3.24Å; T1898-M1902 PolarHBondContact O-N 3.44Å; T1898-M1902 VanDerWaalsContact O-N 3.1Å; Y1899-M1902 CarbonylContact O-C 3.48Å; Y1899-M1902 WeakPolarHBondContact O-CA 3.37Å; Y1899-M1902 WeakPolarHBondContact O-CB 3.33Å; Y1899-M1902 PolarHBondContact O-N 3.37Å; M1902-V1905 PolarHBondContact O-N 2.94Å; M1902-G1906 WeakPolarHBondContact O-CA 3.34Å; M1902-G1906 PolarHBondContact O-N 3.15Å; M1902-I1934 HydrophobicContact CG-CD1 4.07Å; M1902-I1934 HydrophobicContact CG-CG1 4.38Å; M1902-I1934 HydrophobicContact SD-CD1 3.97Å; M1902-I1934 HydrophobicContact SD-CG1 4.21Å; M1902-V1954 WeakPolarHBondContact CE-O 3.49Å; M1902-V1954 HydrophobicContact SD-CB 4.13Å; M1902-V1954 HydrophobicContact SD-CG1 3.34Å; M1902-V1954 WeakPolarHBondContact SD-CG1 3.42Å; M1902-F1958 HydrophobicContact CE-CB 4Å; M1902-F1958 VanDerWaalsContact CE-N 3.3Å; M1902-I1961 HydrophobicContact CE-CD1 3.74Å |
| 1903 | D | 92 | Very high | 91 | Very high | 96 Ų | 96 | 33 Ų | 33 | 51% | 0.513 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.4 | -39.3 | 178.1 | -65.9 | -46.4 | 0 | 0 | 0 | 110.1 | Y1899 C1900 H1907 | Y1899-D1903 VanDerWaalsContact C-OD2 3.3Å; Y1899-D1903 PolarHBondContact O-N 2.96Å; C1900-D1903 PolarHBondContact O-N 3.38Å; D1903-H1907 VanDerWaalsContact O-CB 3.31Å; D1903-H1907 WeakPolarHBondContact O-CB 3.49Å; D1903-H1907 PolarHBondContact O-N 2.76Å |
| 1904 | I | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.1 | -54.8 | 168.6 | -68 | 161.6 | 0 | 0 | 0 | 111 | E1854 L1857 M1858 L1886 F1897 C1900 G1906 H1907 F1910 | E1854-I1904 HydrophobicContact CG-CG1 4.47Å; L1857-I1904 HydrophobicContact CB-CD1 3.98Å; L1857-I1904 HydrophobicContact CD1-CD1 4.09Å; M1858-I1904 HydrophobicContact CG-CG1 3.85Å; M1858-I1904 HydrophobicContact SD-CB 4.23Å; M1858-I1904 HydrophobicContact SD-CG1 3.8Å; M1858-I1904 HydrophobicContact SD-CG2 4.16Å; L1886-I1904 HydrophobicContact CD1-CG2 3.83Å; L1886-I1904 HydrophobicContact CD2-CD1 4.45Å; L1886-I1904 HydrophobicContact CD2-CG2 4.22Å; F1897-I1904 HydrophobicContact CE1-CD1 4.1Å; F1897-I1904 HydrophobicContact CZ-CD1 3.76Å; C1900-I1904 WeakPolarHBondContact O-CD1 3.44Å; C1900-I1904 WeakPolarHBondContact O-CG1 3.42Å; C1900-I1904 PolarHBondContact O-N 2.9Å; I1904-G1906 VanDerWaalsContact C-N 3.29Å; I1904-G1906 PolarHBondContact O-N 3.36Å; I1904-H1907 WeakPolarHBondContact O-CB 3.41Å; I1904-H1907 PolarHBondContact O-N 2.97Å; I1904-H1907 VanDerWaalsContact O-N 3.14Å; I1904-F1910 HydrophobicContact CG2-CD2 4.46Å; I1904-F1910 VanDerWaalsContact O-CB 3.25Å; I1904-F1910 WeakPolarHBondContact O-CB 3.47Å; I1904-F1910 WeakPolarHBondContact O-CG 3.37Å |
| 1905 | V | 93.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.9 | -29.5 | -174.9 | 171.9 | 0 | 0 | 0 | 0 | 112.6 | L1886 W1901 M1902 F1910 I1911 Y1927 L1930 | L1886-V1905 HydrophobicContact CD1-CG2 4.28Å; W1901-V1905 HydrophobicContact CD2-CG2 4.21Å; W1901-V1905 HydrophobicContact CE3-CB 4.48Å; W1901-V1905 HydrophobicContact CE3-CG2 4.01Å; W1901-V1905 HydrophobicContact CH2-CG2 4.01Å; W1901-V1905 HydrophobicContact CZ2-CG2 4.22Å; W1901-V1905 HydrophobicContact CZ3-CB 4.28Å; W1901-V1905 HydrophobicContact CZ3-CG1 4.45Å; W1901-V1905 HydrophobicContact CZ3-CG2 3.9Å; W1901-V1905 WeakPolarHBondContact O-CB 3.37Å; W1901-V1905 WeakPolarHBondContact O-CG2 3.39Å; W1901-V1905 PolarHBondContact O-N 2.68Å; M1902-V1905 PolarHBondContact O-N 2.94Å; V1905-F1910 HydrophobicContact CB-CE1 4.4Å; V1905-F1910 HydrophobicContact CG1-CE1 4.42Å; V1905-F1910 HydrophobicContact CG2-CE1 4.25Å; V1905-F1910 WeakPolarHBondContact O-CD1 3.13Å; V1905-I1911 WeakPolarHBondContact O-CG1 3.15Å; V1905-Y1927 HydrophobicContact CG1-CE2 4.13Å; V1905-Y1927 PolarHBondContact O-OH 2.9Å; V1905-L1930 HydrophobicContact CG1-CB 4.34Å; V1905-L1930 HydrophobicContact CG2-CD1 4.16Å |
| 1906 | G | 92.1 | Very high | 90.6 | Very high | 26 Ų | 26 | 29.1 Ų | 29.1 | 27% | 0.268 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -84.7 | -8.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1902 I1904 R1908 I1911 | M1902-G1906 WeakPolarHBondContact O-CA 3.34Å; M1902-G1906 PolarHBondContact O-N 3.15Å; I1904-G1906 VanDerWaalsContact C-N 3.29Å; I1904-G1906 PolarHBondContact O-N 3.36Å; G1906-R1908 PolarHBondContact O-N 3.45Å; G1906-I1911 WeakPolarHBondContact O-CD1 3.49Å |
| 1907 | H | 93.7 | Very high | 89.7 | Confident | 46 Ų | 46 | 31.1 Ų | 31.1 | 21% | 0.213 | 19% | 0.185 | C | C | . | . | trans | -67.1 | 133.9 | -173.4 | -174.8 | -111.3 | 0 | 0 | 0 | 112.1 | M1858 Y1862 D1903 I1904 Q1909 F1910 I1911 | M1858-H1907 HydrophobicContact CE-CB 4.3Å; M1858-H1907 WeakPolarHBondContact CE-ND1 3.42Å; Y1862-H1907 AromaticContact CZ-CE1 3.96Å; Y1862-H1907 PolarHBondContact OH-CE1 3.37Å; D1903-H1907 VanDerWaalsContact O-CB 3.31Å; D1903-H1907 WeakPolarHBondContact O-CB 3.49Å; D1903-H1907 PolarHBondContact O-N 2.76Å; I1904-H1907 WeakPolarHBondContact O-CB 3.41Å; I1904-H1907 PolarHBondContact O-N 2.97Å; I1904-H1907 VanDerWaalsContact O-N 3.14Å; H1907-Q1909 VanDerWaalsContact C-N 3.25Å; H1907-Q1909 VanDerWaalsContact CE1-CB 3.49Å; H1907-Q1909 WeakPolarHBondContact CE1-CB 3.39Å; H1907-Q1909 WeakPolarHBondContact ND1-CB 3.42Å; H1907-Q1909 PolarHBondContact ND1-N 3.11Å; H1907-Q1909 PolarHBondContact O-N 3.03Å; H1907-Q1909 VanDerWaalsContact O-N 3.1Å; H1907-F1910 HydrophobicContact CB-CB 4.16Å; H1907-F1910 WeakPolarHBondContact O-CA 3.29Å; H1907-F1910 WeakPolarHBondContact O-CB 3.25Å; H1907-F1910 PolarHBondContact O-N 3.15Å; H1907-I1911 PolarHBondContact O-N 3.31Å | ||
| 1908 | R | 90 | Very high | 88.8 | Confident | 153 Ų | 153 | 31.8 Ų | 31.8 | 58% | 0.577 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -50 | -40 | -177.9 | 63.3 | -178.4 | -177.7 | 148.9 | 0.2 | 114.3 | P848 G1906 G1912 | P848-R1908 PolarHBondContact O-NH1 3.48Å; G1906-R1908 PolarHBondContact O-N 3.45Å; R1908-G1912 PolarHBondContact O-N 2.95Å |
| 1909 | Q | 86.1 | Confident | 87.7 | Confident | 87 Ų | 87 | 35.8 Ų | 35.8 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -76.2 | -30.7 | 178.4 | -167.8 | 63.3 | 40.4 | 0 | 0 | 112 | F1861 Y1862 H1907 T1913 | F1861-Q1909 HydrophobicContact CE1-CB 4.34Å; F1861-Q1909 HydrophobicContact CE1-CG 4.02Å; Y1862-Q1909 HydrophobicContact CE1-CB 4.26Å; Y1862-Q1909 HydrophobicContact CE1-CG 4.15Å; H1907-Q1909 VanDerWaalsContact C-N 3.25Å; H1907-Q1909 VanDerWaalsContact CE1-CB 3.49Å; H1907-Q1909 WeakPolarHBondContact CE1-CB 3.39Å; H1907-Q1909 WeakPolarHBondContact ND1-CB 3.42Å; H1907-Q1909 PolarHBondContact ND1-N 3.11Å; H1907-Q1909 PolarHBondContact O-N 3.03Å; H1907-Q1909 VanDerWaalsContact O-N 3.1Å; Q1909-T1913 PolarHBondContact NE2-OG1 2.9Å; Q1909-T1913 VanDerWaalsContact O-CB 3.26Å; Q1909-T1913 WeakPolarHBondContact O-CB 3.46Å; Q1909-T1913 PolarHBondContact O-N 3.01Å; Q1909-T1913 PolarHBondContact O-OG1 3.12Å |
| 1910 | F | 92.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.7 | -54.2 | 176.4 | -176.5 | -96.6 | 0 | 0 | 0 | 110.5 | F1861 Y1882 L1886 I1904 V1905 H1907 G1912 T1913 V1914 Y1927 L1930 | F1861-F1910 AromaticContact CD2-CD2 3.94Å; F1861-F1910 HydrophobicContact CD2-CD2 3.94Å; F1861-F1910 HydrophobicContact CD2-CE2 4.41Å; F1861-F1910 HydrophobicContact CE1-CB 4.3Å; F1861-F1910 HydrophobicContact CE1-CD2 4.47Å; F1861-F1910 AromaticContact CE2-CD2 3.58Å; F1861-F1910 HydrophobicContact CE2-CD2 3.58Å; F1861-F1910 HydrophobicContact CE2-CE2 4.16Å; F1861-F1910 HydrophobicContact CZ-CB 4.18Å; F1861-F1910 AromaticContact CZ-CD2 3.89Å; F1861-F1910 HydrophobicContact CZ-CD2 3.89Å; F1861-F1910 HydrophobicContact CZ-CG 4.46Å; Y1882-F1910 HydrophobicContact CD1-CE2 4.07Å; Y1882-F1910 HydrophobicContact CE1-CD2 4.24Å; Y1882-F1910 AromaticContact CE1-CE2 3.79Å; Y1882-F1910 HydrophobicContact CE1-CE2 3.79Å; L1886-F1910 HydrophobicContact CD1-CE2 3.88Å; L1886-F1910 HydrophobicContact CD1-CZ 3.81Å; I1904-F1910 HydrophobicContact CG2-CD2 4.46Å; I1904-F1910 VanDerWaalsContact O-CB 3.25Å; I1904-F1910 WeakPolarHBondContact O-CB 3.47Å; I1904-F1910 WeakPolarHBondContact O-CG 3.37Å; V1905-F1910 HydrophobicContact CB-CE1 4.4Å; V1905-F1910 HydrophobicContact CG1-CE1 4.42Å; V1905-F1910 HydrophobicContact CG2-CE1 4.25Å; V1905-F1910 WeakPolarHBondContact O-CD1 3.13Å; H1907-F1910 HydrophobicContact CB-CB 4.16Å; H1907-F1910 WeakPolarHBondContact O-CA 3.29Å; H1907-F1910 WeakPolarHBondContact O-CB 3.25Å; H1907-F1910 PolarHBondContact O-N 3.15Å; F1910-G1912 PolarHBondContact O-N 3.47Å; F1910-T1913 PolarHBondContact O-N 3.34Å; F1910-V1914 HydrophobicContact CD1-CG2 4.46Å; F1910-V1914 HydrophobicContact CD2-CG2 4.1Å; F1910-V1914 HydrophobicContact CE1-CG2 4.23Å; F1910-V1914 HydrophobicContact CE2-CG2 3.83Å; F1910-V1914 HydrophobicContact CG-CG2 4.4Å; F1910-V1914 HydrophobicContact CZ-CG2 3.9Å; F1910-V1914 WeakPolarHBondContact O-CB 3.36Å; F1910-V1914 WeakPolarHBondContact O-CG2 3.49Å; F1910-V1914 PolarHBondContact O-N 3.15Å; F1910-Y1927 HydrophobicContact CD1-CD2 4.43Å; F1910-Y1927 AromaticContact CD1-CE2 3.88Å; F1910-Y1927 HydrophobicContact CD1-CE2 3.88Å; F1910-Y1927 AromaticContact CE1-CD2 3.9Å; F1910-Y1927 HydrophobicContact CE1-CD2 3.9Å; F1910-Y1927 AromaticContact CE1-CE2 3.67Å; F1910-Y1927 HydrophobicContact CE1-CE2 3.67Å; F1910-L1930 HydrophobicContact CE1-CD1 3.96Å; F1910-L1930 HydrophobicContact CZ-CD1 3.8Å |
| 1911 | I | 91.9 | Very high | 85.3 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.7 | -53.5 | 174.9 | -61.3 | -179.9 | 0 | 0 | 0 | 110.3 | V1905 G1906 H1907 T1913 L1915 Y1927 V1964 L1965 F1969 | V1905-I1911 WeakPolarHBondContact O-CG1 3.15Å; G1906-I1911 WeakPolarHBondContact O-CD1 3.49Å; H1907-I1911 PolarHBondContact O-N 3.31Å; I1911-T1913 PolarHBondContact O-N 2.79Å; I1911-L1915 HydrophobicContact CG2-CD1 3.77Å; I1911-L1915 VanDerWaalsContact O-CB 3.31Å; I1911-L1915 WeakPolarHBondContact O-CB 3.35Å; I1911-L1915 WeakPolarHBondContact O-CG 3.26Å; I1911-L1915 PolarHBondContact O-N 3Å; I1911-Y1927 HydrophobicContact CG1-CE2 4.14Å; I1911-V1964 HydrophobicContact CD1-CG1 4.25Å; I1911-L1965 HydrophobicContact CG2-CD2 4.16Å; I1911-F1969 HydrophobicContact CG2-CD2 4.05Å; I1911-F1969 HydrophobicContact CG2-CE2 3.68Å |
| 1912 | G | 85.6 | Confident | 84.2 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1908 F1910 A1916 | R1908-G1912 PolarHBondContact O-N 2.95Å; F1910-G1912 PolarHBondContact O-N 3.47Å; G1912-A1916 WeakPolarHBondContact O-CB 3.36Å; G1912-A1916 PolarHBondContact O-N 3.3Å; G1912-A1916 VanDerWaalsContact O-N 3.09Å |
| 1913 | T | 87.5 | Confident | 83.7 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78 | -37.9 | -177.2 | -44 | 0 | 0 | 0 | 0 | 112.3 | T1865 L1879 Q1909 F1910 I1911 G1917 | T1865-T1913 HydrophobicContact CG2-CG2 3.77Å; L1879-T1913 HydrophobicContact CD1-CG2 4.07Å; L1879-T1913 HydrophobicContact CD2-CG2 4.43Å; Q1909-T1913 PolarHBondContact NE2-OG1 2.9Å; Q1909-T1913 VanDerWaalsContact O-CB 3.26Å; Q1909-T1913 WeakPolarHBondContact O-CB 3.46Å; Q1909-T1913 PolarHBondContact O-N 3.01Å; Q1909-T1913 PolarHBondContact O-OG1 3.12Å; F1910-T1913 PolarHBondContact O-N 3.34Å; I1911-T1913 PolarHBondContact O-N 2.79Å; T1913-G1917 WeakPolarHBondContact O-CA 3.49Å; T1913-G1917 PolarHBondContact O-N 2.86Å |
| 1914 | V | 88.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.5 | -41.5 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | F1910 V1918 G1923 Y1927 | F1910-V1914 HydrophobicContact CD1-CG2 4.46Å; F1910-V1914 HydrophobicContact CD2-CG2 4.1Å; F1910-V1914 HydrophobicContact CE1-CG2 4.23Å; F1910-V1914 HydrophobicContact CE2-CG2 3.83Å; F1910-V1914 HydrophobicContact CG-CG2 4.4Å; F1910-V1914 HydrophobicContact CZ-CG2 3.9Å; F1910-V1914 WeakPolarHBondContact O-CB 3.36Å; F1910-V1914 WeakPolarHBondContact O-CG2 3.49Å; F1910-V1914 PolarHBondContact O-N 3.15Å; V1914-V1918 WeakPolarHBondContact O-CG2 3.24Å; V1914-G1923 WeakPolarHBondContact O-CA 3.5Å; V1914-Y1927 HydrophobicContact CG1-CD2 4.19Å |
| 1915 | L | 88.9 | Confident | 83.2 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -87.9 | -29.7 | -174.9 | -60.2 | -178.9 | 0 | 0 | 0 | 114.4 | I1911 F1924 Y1927 L1965 F1969 L1972 | I1911-L1915 HydrophobicContact CG2-CD1 3.77Å; I1911-L1915 VanDerWaalsContact O-CB 3.31Å; I1911-L1915 WeakPolarHBondContact O-CB 3.35Å; I1911-L1915 WeakPolarHBondContact O-CG 3.26Å; I1911-L1915 PolarHBondContact O-N 3Å; L1915-F1924 HydrophobicContact CB-CE1 4.29Å; L1915-F1924 HydrophobicContact CD2-CD1 3.79Å; L1915-F1924 HydrophobicContact CD2-CE1 4.25Å; L1915-Y1927 HydrophobicContact CD2-CD1 4.41Å; L1915-Y1927 HydrophobicContact CD2-CD2 4.21Å; L1915-Y1927 HydrophobicContact CD2-CG 3.83Å; L1915-Y1927 HydrophobicContact CG-CD2 4.35Å; L1915-Y1927 HydrophobicContact CG-CG 4.39Å; L1915-L1965 HydrophobicContact CD1-CD2 3.51Å; L1915-F1969 HydrophobicContact CB-CD1 3.68Å; L1915-F1969 HydrophobicContact CB-CD2 4.46Å; L1915-F1969 HydrophobicContact CB-CE1 3.49Å; L1915-F1969 VanDerWaalsContact CB-CE1 3.49Å; L1915-F1969 HydrophobicContact CB-CE2 4.32Å; L1915-F1969 HydrophobicContact CB-CG 4.18Å; L1915-F1969 HydrophobicContact CB-CZ 3.84Å; L1915-F1969 HydrophobicContact CD1-CB 4.05Å; L1915-F1969 HydrophobicContact CD1-CD1 4Å; L1915-F1969 HydrophobicContact CD1-CD2 3.61Å; L1915-F1969 HydrophobicContact CD1-CE1 4.38Å; L1915-F1969 HydrophobicContact CD1-CE2 4.04Å; L1915-F1969 HydrophobicContact CD1-CG 3.6Å; L1915-F1969 HydrophobicContact CD1-CZ 4.4Å; L1915-F1969 HydrophobicContact CG-CD1 4.48Å; L1915-L1972 HydrophobicContact CD1-CD2 4.12Å; L1915-L1972 HydrophobicContact CD2-CD2 4.14Å |
| 1916 | A | 81.3 | Confident | 82.9 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -110.4 | -19.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1912 F1969 | G1912-A1916 WeakPolarHBondContact O-CB 3.36Å; G1912-A1916 PolarHBondContact O-N 3.3Å; G1912-A1916 VanDerWaalsContact O-N 3.09Å; A1916-F1969 HydrophobicContact CB-CE1 4.28Å; A1916-F1969 HydrophobicContact CB-CZ 4.49Å |
| 1917 | G | 68.4 | Low | 82.9 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -88.3 | -19.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | T1913 | T1913-G1917 WeakPolarHBondContact O-CA 3.49Å; T1913-G1917 PolarHBondContact O-N 2.86Å |
| 1918 | V | 72.9 | Confident | 82.8 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -93.6 | 118.2 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 110 | L1879 V1914 K1922 | L1879-V1918 HydrophobicContact CD1-CG2 4.07Å; V1914-V1918 WeakPolarHBondContact O-CG2 3.24Å; V1918-K1922 HydrophobicContact CG1-CB 3.96Å |
| 1919 | P | 68.5 | Low | 82.9 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -67.6 | 166 | -176 | 27.5 | -35.1 | 0 | 0 | 0 | 113.5 | Q1921 K1922 | P1919-Q1921 PolarHBondContact O-N 2.7Å; P1919-Q1921 VanDerWaalsContact O-N 3.17Å; P1919-K1922 PolarHBondContact O-N 2.88Å |
| 1920 | E | 65 | Low | 83.3 | Confident | 152 Ų | 152 | 38.1 Ų | 38.1 | 71% | 0.71 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | 57.7 | 26 | 177.2 | -55.3 | -179.7 | 148.1 | 0 | 0 | 114.6 | K1922 | E1920-K1922 HydrophobicContact CB-CD 4.37Å; E1920-K1922 HydrophobicContact CB-CG 4.38Å; E1920-K1922 PolarHBondContact O-N 3.11Å; E1920-K1922 WeakPolarHBondContact OE2-CE 3.49Å; E1920-K1922 IonicContact OE2-NZ 3.43Å; E1920-K1922 PolarHBondContact OE2-NZ 3.4Å |
| 1921 | Q | 68.9 | Low | 83.4 | Confident | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | 57.9 | 13.3 | -176.5 | -53.8 | -176.3 | -66.9 | 0 | 0 | 114.3 | P1919 G1923 F1924 | P1919-Q1921 PolarHBondContact O-N 2.7Å; P1919-Q1921 VanDerWaalsContact O-N 3.17Å; Q1921-G1923 PolarHBondContact O-N 3.22Å; Q1921-G1923 VanDerWaalsContact O-N 3.17Å; Q1921-F1924 HydrophobicContact CB-CD2 4.22Å; Q1921-F1924 HydrophobicContact CB-CG 4.25Å; Q1921-F1924 HydrophobicContact CG-CE2 4.46Å; Q1921-F1924 VanDerWaalsContact O-CB 3.25Å; Q1921-F1924 WeakPolarHBondContact O-CB 3.31Å; Q1921-F1924 PolarHBondContact O-N 2.67Å |
| 1922 | K | 73 | Confident | 83.5 | Confident | 126 Ų | 126 | 40 Ų | 40 | 55% | 0.548 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.1 | -28.8 | -178.5 | -73.1 | 168 | 174.2 | 164.6 | 0 | 113 | V1918 P1919 E1920 F1924 G1925 | V1918-K1922 HydrophobicContact CG1-CB 3.96Å; P1919-K1922 PolarHBondContact O-N 2.88Å; E1920-K1922 HydrophobicContact CB-CD 4.37Å; E1920-K1922 HydrophobicContact CB-CG 4.38Å; E1920-K1922 PolarHBondContact O-N 3.11Å; E1920-K1922 WeakPolarHBondContact OE2-CE 3.49Å; E1920-K1922 IonicContact OE2-NZ 3.43Å; E1920-K1922 PolarHBondContact OE2-NZ 3.4Å; K1922-F1924 PolarHBondContact O-N 3.04Å; K1922-G1925 PolarHBondContact O-N 3.24Å |
| 1923 | G | 83.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -26.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1914 Q1921 I1926 Y1927 | V1914-G1923 WeakPolarHBondContact O-CA 3.5Å; Q1921-G1923 PolarHBondContact O-N 3.22Å; Q1921-G1923 VanDerWaalsContact O-N 3.17Å; G1923-I1926 PolarHBondContact O-N 2.83Å; G1923-Y1927 WeakPolarHBondContact O-CB 3.32Å; G1923-Y1927 PolarHBondContact O-N 2.84Å |
| 1924 | F | 89.8 | Confident | 84.3 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 178.9 | -73.9 | 16 | 0 | 0 | 0 | 111.4 | L1915 Q1921 K1922 I1926 Y1927 A1928 F1969 E1971 L1972 Y1976 | L1915-F1924 HydrophobicContact CB-CE1 4.29Å; L1915-F1924 HydrophobicContact CD2-CD1 3.79Å; L1915-F1924 HydrophobicContact CD2-CE1 4.25Å; Q1921-F1924 HydrophobicContact CB-CD2 4.22Å; Q1921-F1924 HydrophobicContact CB-CG 4.25Å; Q1921-F1924 HydrophobicContact CG-CE2 4.46Å; Q1921-F1924 VanDerWaalsContact O-CB 3.25Å; Q1921-F1924 WeakPolarHBondContact O-CB 3.31Å; Q1921-F1924 PolarHBondContact O-N 2.67Å; K1922-F1924 PolarHBondContact O-N 3.04Å; F1924-I1926 VanDerWaalsContact C-N 3.33Å; F1924-I1926 PolarHBondContact O-N 3.38Å; F1924-Y1927 PolarHBondContact O-N 3.11Å; F1924-A1928 WeakPolarHBondContact O-CB 3.15Å; F1924-A1928 PolarHBondContact O-N 3.48Å; F1924-F1969 HydrophobicContact CE1-CD1 4.47Å; F1924-E1971 HydrophobicContact CE2-CB 3.96Å; F1924-L1972 HydrophobicContact CB-CD1 3.58Å; F1924-L1972 HydrophobicContact CD1-CD1 4.45Å; F1924-L1972 HydrophobicContact CD2-CB 4.1Å; F1924-L1972 HydrophobicContact CD2-CD1 4.21Å; F1924-L1972 HydrophobicContact CE2-CB 4.19Å; F1924-L1972 HydrophobicContact CG-CB 4.34Å; F1924-L1972 HydrophobicContact CG-CD1 3.85Å; F1924-L1972 WeakPolarHBondContact O-CD1 3.28Å; F1924-Y1976 HydrophobicContact CB-CE2 4.03Å |
| 1925 | G | 86.6 | Confident | 84.5 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 22% | 0.216 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | K1922 I1929 Y1976 | K1922-G1925 PolarHBondContact O-N 3.24Å; G1925-I1929 WeakPolarHBondContact O-CG1 3.39Å; G1925-I1929 PolarHBondContact O-N 3.01Å; G1925-Y1976 VanDerWaalsContact CA-OH 3.25Å; G1925-Y1976 WeakPolarHBondContact CA-OH 3.37Å |
| 1926 | I | 86.4 | Confident | 84.7 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -50.4 | 175.8 | -62.6 | 167.2 | 0 | 0 | 0 | 110.2 | A1880 C1883 G1923 F1924 A1928 I1929 | A1880-I1926 HydrophobicContact CB-CD1 3.77Å; C1883-I1926 HydrophobicContact CB-CG2 3.27Å; G1923-I1926 PolarHBondContact O-N 2.83Å; F1924-I1926 VanDerWaalsContact C-N 3.33Å; F1924-I1926 PolarHBondContact O-N 3.38Å; I1926-A1928 VanDerWaalsContact C-N 3.34Å; I1926-A1928 PolarHBondContact O-N 3.29Å; I1926-I1929 PolarHBondContact O-N 3.1Å |
| 1927 | Y | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -33.2 | -179.8 | -163.1 | -79.5 | 0 | 0 | 0 | 112.3 | V1905 F1910 I1911 V1914 L1915 G1923 F1924 I1929 L1930 L1931 L1965 L1972 | V1905-Y1927 HydrophobicContact CG1-CE2 4.13Å; V1905-Y1927 PolarHBondContact O-OH 2.9Å; F1910-Y1927 HydrophobicContact CD1-CD2 4.43Å; F1910-Y1927 AromaticContact CD1-CE2 3.88Å; F1910-Y1927 HydrophobicContact CD1-CE2 3.88Å; F1910-Y1927 AromaticContact CE1-CD2 3.9Å; F1910-Y1927 HydrophobicContact CE1-CD2 3.9Å; F1910-Y1927 AromaticContact CE1-CE2 3.67Å; F1910-Y1927 HydrophobicContact CE1-CE2 3.67Å; I1911-Y1927 HydrophobicContact CG1-CE2 4.14Å; V1914-Y1927 HydrophobicContact CG1-CD2 4.19Å; L1915-Y1927 HydrophobicContact CD2-CD1 4.41Å; L1915-Y1927 HydrophobicContact CD2-CD2 4.21Å; L1915-Y1927 HydrophobicContact CD2-CG 3.83Å; L1915-Y1927 HydrophobicContact CG-CD2 4.35Å; L1915-Y1927 HydrophobicContact CG-CG 4.39Å; G1923-Y1927 WeakPolarHBondContact O-CB 3.32Å; G1923-Y1927 PolarHBondContact O-N 2.84Å; F1924-Y1927 PolarHBondContact O-N 3.11Å; Y1927-I1929 VanDerWaalsContact C-N 3.28Å; Y1927-I1929 PolarHBondContact O-N 3.49Å; Y1927-L1930 WeakPolarHBondContact O-CB 3.27Å; Y1927-L1930 PolarHBondContact O-N 2.98Å; Y1927-L1930 VanDerWaalsContact O-N 3.17Å; Y1927-L1931 HydrophobicContact CD1-CD1 3.88Å; Y1927-L1931 HydrophobicContact CD1-CG 3.88Å; Y1927-L1931 HydrophobicContact CE1-CD1 3.98Å; Y1927-L1931 HydrophobicContact CE1-CD2 3.91Å; Y1927-L1931 HydrophobicContact CE1-CG 3.77Å; Y1927-L1931 PolarHBondContact O-N 3.49Å; Y1927-L1965 HydrophobicContact CE1-CD1 3.75Å; Y1927-L1965 HydrophobicContact CE1-CD2 4.14Å; Y1927-L1972 HydrophobicContact CD1-CD2 3.9Å; Y1927-L1972 HydrophobicContact CE1-CD2 4.47Å |
| 1928 | A | 91.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -33.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1924 I1926 L1931 M1932 L1972 Y1976 | F1924-A1928 WeakPolarHBondContact O-CB 3.15Å; F1924-A1928 PolarHBondContact O-N 3.48Å; I1926-A1928 VanDerWaalsContact C-N 3.34Å; I1926-A1928 PolarHBondContact O-N 3.29Å; A1928-L1931 PolarHBondContact O-N 3.18Å; A1928-M1932 VanDerWaalsContact O-CG 3.28Å; A1928-M1932 WeakPolarHBondContact O-CG 3.44Å; A1928-M1932 PolarHBondContact O-N 3.14Å; A1928-L1972 HydrophobicContact CB-CD1 4.43Å; A1928-Y1976 HydrophobicContact CB-CD1 3.62Å; A1928-Y1976 HydrophobicContact CB-CD2 4.14Å; A1928-Y1976 HydrophobicContact CB-CE1 3.94Å; A1928-Y1976 HydrophobicContact CB-CE2 4.43Å; A1928-Y1976 HydrophobicContact CB-CG 3.74Å |
| 1929 | I | 91.4 | Very high | 87.1 | Confident | 71 Ų | 71 | 35.4 Ų | 35.4 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 173.5 | -68.3 | 163.1 | 0 | 0 | 0 | 110.7 | G1925 I1926 Y1927 L1931 M1932 D1933 | G1925-I1929 WeakPolarHBondContact O-CG1 3.39Å; G1925-I1929 PolarHBondContact O-N 3.01Å; I1926-I1929 PolarHBondContact O-N 3.1Å; Y1927-I1929 VanDerWaalsContact C-N 3.28Å; Y1927-I1929 PolarHBondContact O-N 3.49Å; I1929-L1931 PolarHBondContact O-N 3.2Å; I1929-M1932 HydrophobicContact CB-CE 4.47Å; I1929-M1932 HydrophobicContact CG1-CE 4Å; I1929-M1932 WeakPolarHBondContact O-CB 3.29Å; I1929-M1932 PolarHBondContact O-N 2.94Å; I1929-M1932 VanDerWaalsContact O-N 3.09Å; I1929-D1933 PolarHBondContact O-N 2.97Å |
| 1930 | L | 94.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.6 | -54.8 | 173.6 | 0 | 0 | 0 | 111.1 | L1886 W1901 V1905 F1910 Y1927 M1932 D1933 I1934 | L1886-L1930 HydrophobicContact CB-CD2 4.14Å; W1901-L1930 HydrophobicContact CH2-CB 3.9Å; W1901-L1930 HydrophobicContact CH2-CD2 4.32Å; W1901-L1930 WeakPolarHBondContact CH2-O 3.48Å; W1901-L1930 HydrophobicContact CZ2-CB 4.27Å; W1901-L1930 HydrophobicContact CZ2-CD2 3.81Å; V1905-L1930 HydrophobicContact CG1-CB 4.34Å; V1905-L1930 HydrophobicContact CG2-CD1 4.16Å; F1910-L1930 HydrophobicContact CE1-CD1 3.96Å; F1910-L1930 HydrophobicContact CZ-CD1 3.8Å; Y1927-L1930 WeakPolarHBondContact O-CB 3.27Å; Y1927-L1930 PolarHBondContact O-N 2.98Å; Y1927-L1930 VanDerWaalsContact O-N 3.17Å; L1930-M1932 VanDerWaalsContact C-N 3.29Å; L1930-M1932 PolarHBondContact O-N 3.38Å; L1930-D1933 PolarHBondContact O-N 3.5Å; L1930-I1934 PolarHBondContact O-N 3.05Å |
| 1931 | L | 95.1 | Very high | 89 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -38.8 | 172 | -68.9 | 174.1 | 0 | 0 | 0 | 112.3 | Y1927 A1928 I1929 I1934 I1935 F1958 I1961 L1965 L1972 L1980 | Y1927-L1931 HydrophobicContact CD1-CD1 3.88Å; Y1927-L1931 HydrophobicContact CD1-CG 3.88Å; Y1927-L1931 HydrophobicContact CE1-CD1 3.98Å; Y1927-L1931 HydrophobicContact CE1-CD2 3.91Å; Y1927-L1931 HydrophobicContact CE1-CG 3.77Å; Y1927-L1931 PolarHBondContact O-N 3.49Å; A1928-L1931 PolarHBondContact O-N 3.18Å; I1929-L1931 PolarHBondContact O-N 3.2Å; L1931-I1934 VanDerWaalsContact O-CG2 3.3Å; L1931-I1934 WeakPolarHBondContact O-CG2 3.48Å; L1931-I1935 WeakPolarHBondContact O-CD1 3.22Å; L1931-I1935 WeakPolarHBondContact O-CG1 3.36Å; L1931-I1935 PolarHBondContact O-N 3.29Å; L1931-I1935 VanDerWaalsContact O-N 3.14Å; L1931-F1958 HydrophobicContact CD2-CE2 3.78Å; L1931-I1961 HydrophobicContact CD2-CG2 4.38Å; L1931-L1965 HydrophobicContact CD1-CD1 4.01Å; L1931-L1965 HydrophobicContact CD2-CD1 4.02Å; L1931-L1972 HydrophobicContact CD1-CD2 4.13Å; L1931-L1980 HydrophobicContact CB-CD2 3.98Å |
| 1932 | M | 93.9 | Very high | 89.8 | Confident | 43 Ų | 43 | 25.9 Ų | 25.9 | 21% | 0.212 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 176.5 | -70.4 | -172.8 | -68.5 | 0 | 0 | 112.6 | A1928 I1929 L1930 I1935 Q1936 A1979 L1980 L1983 | A1928-M1932 VanDerWaalsContact O-CG 3.28Å; A1928-M1932 WeakPolarHBondContact O-CG 3.44Å; A1928-M1932 PolarHBondContact O-N 3.14Å; I1929-M1932 HydrophobicContact CB-CE 4.47Å; I1929-M1932 HydrophobicContact CG1-CE 4Å; I1929-M1932 WeakPolarHBondContact O-CB 3.29Å; I1929-M1932 PolarHBondContact O-N 2.94Å; I1929-M1932 VanDerWaalsContact O-N 3.09Å; L1930-M1932 VanDerWaalsContact C-N 3.29Å; L1930-M1932 PolarHBondContact O-N 3.38Å; M1932-I1935 PolarHBondContact O-N 3.3Å; M1932-Q1936 WeakPolarHBondContact O-CB 3.34Å; M1932-Q1936 VanDerWaalsContact O-CG 3.26Å; M1932-Q1936 WeakPolarHBondContact O-CG 3.27Å; M1932-Q1936 PolarHBondContact O-N 2.96Å; M1932-A1979 HydrophobicContact SD-CB 3.84Å; M1932-L1980 HydrophobicContact CG-CD2 4.13Å; M1932-L1983 HydrophobicContact CB-CD1 3.67Å; M1932-L1983 HydrophobicContact CG-CD1 3.56Å; M1932-L1983 HydrophobicContact SD-CD1 4.04Å |
| 1933 | D | 94 | Very high | 90.3 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 177.1 | -73.3 | -45.6 | 0 | 0 | 0 | 112.3 | H1887 R1890 W1901 I1929 L1930 Q1936 F1937 | H1887-D1933 IonicContact CE1-OD1 2.8Å; H1887-D1933 PolarHBondContact CE1-OD1 3.43Å; H1887-D1933 VanDerWaalsContact CE1-OD1 3.28Å; H1887-D1933 IonicContact CE1-OD2 2.69Å; H1887-D1933 IonicContact CG-OD2 3.34Å; H1887-D1933 IonicContact ND1-OD1 2.76Å; H1887-D1933 PolarHBondContact ND1-OD1 3.47Å; H1887-D1933 IonicContact ND1-OD2 3.57Å; H1887-D1933 PolarHBondContact ND1-OD2 3.06Å; R1890-D1933 HydrophobicContact CB-CB 4.08Å; R1890-D1933 VanDerWaalsContact CD-CG 3.43Å; R1890-D1933 WeakPolarHBondContact CD-OD1 3.33Å; R1890-D1933 IonicContact CZ-OD1 3.64Å; R1890-D1933 IonicContact NE-OD1 3.24Å; R1890-D1933 IonicContact NH1-OD1 3.8Å; R1890-D1933 PolarHBondContact NH1-OD1 3.35Å; W1901-D1933 HydrophobicContact CH2-CB 4.32Å; W1901-D1933 HydrophobicContact CZ2-CB 4.4Å; I1929-D1933 PolarHBondContact O-N 2.97Å; L1930-D1933 PolarHBondContact O-N 3.5Å; D1933-Q1936 PolarHBondContact O-N 3.18Å; D1933-F1937 PolarHBondContact O-N 3.33Å |
| 1934 | I | 94.7 | Very high | 90 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.5 | -36.5 | 178.3 | -170.6 | 65 | 0 | 0 | 0 | 111.6 | P1891 T1898 W1901 M1902 L1930 L1931 F1937 L1938 V1954 F1958 | P1891-I1934 HydrophobicContact CG-CD1 4.02Å; T1898-I1934 HydrophobicContact CG2-CD1 4.36Å; W1901-I1934 HydrophobicContact CZ3-CB 4.04Å; M1902-I1934 HydrophobicContact CG-CD1 4.07Å; M1902-I1934 HydrophobicContact CG-CG1 4.38Å; M1902-I1934 HydrophobicContact SD-CD1 3.97Å; M1902-I1934 HydrophobicContact SD-CG1 4.21Å; L1930-I1934 PolarHBondContact O-N 3.05Å; L1931-I1934 VanDerWaalsContact O-CG2 3.3Å; L1931-I1934 WeakPolarHBondContact O-CG2 3.48Å; I1934-F1937 HydrophobicContact CD1-CD1 4.1Å; I1934-F1937 PolarHBondContact O-N 2.99Å; I1934-L1938 HydrophobicContact CD1-CG 4.49Å; I1934-L1938 HydrophobicContact CG1-CD1 4.21Å; I1934-L1938 HydrophobicContact CG1-CG 4.39Å; I1934-L1938 WeakPolarHBondContact O-CB 3.19Å; I1934-L1938 VanDerWaalsContact O-CG 3.25Å; I1934-L1938 WeakPolarHBondContact O-CG 3.33Å; I1934-L1938 PolarHBondContact O-N 3.14Å; I1934-V1954 HydrophobicContact CD1-CG1 3.79Å; I1934-F1958 HydrophobicContact CG1-CD2 4.46Å; I1934-F1958 HydrophobicContact CG2-CD2 3.72Å; I1934-F1958 HydrophobicContact CG2-CE2 3.44Å; I1934-F1958 VanDerWaalsContact CG2-CE2 3.44Å; I1934-F1958 HydrophobicContact CG2-CZ 4.22Å |
| 1935 | I | 93.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 172.2 | -62.8 | 161.8 | 0 | 0 | 0 | 110.7 | L1931 M1932 F1937 L1938 A1939 F1958 L1980 L1983 I1984 | L1931-I1935 WeakPolarHBondContact O-CD1 3.22Å; L1931-I1935 WeakPolarHBondContact O-CG1 3.36Å; L1931-I1935 PolarHBondContact O-N 3.29Å; L1931-I1935 VanDerWaalsContact O-N 3.14Å; M1932-I1935 PolarHBondContact O-N 3.3Å; I1935-F1937 VanDerWaalsContact C-N 3.28Å; I1935-F1937 PolarHBondContact O-N 3.38Å; I1935-L1938 PolarHBondContact O-N 3.23Å; I1935-L1938 VanDerWaalsContact O-N 3.14Å; I1935-A1939 VanDerWaalsContact O-CB 3.28Å; I1935-A1939 WeakPolarHBondContact O-CB 3.48Å; I1935-A1939 PolarHBondContact O-N 2.7Å; I1935-F1958 HydrophobicContact CD1-CE1 4.49Å; I1935-F1958 HydrophobicContact CD1-CZ 3.89Å; I1935-F1958 HydrophobicContact CG1-CE1 3.82Å; I1935-F1958 HydrophobicContact CG1-CE2 4.36Å; I1935-F1958 HydrophobicContact CG1-CZ 3.44Å; I1935-F1958 VanDerWaalsContact CG1-CZ 3.44Å; I1935-L1980 HydrophobicContact CD1-CB 4.26Å; I1935-L1980 HydrophobicContact CD1-CD2 3.65Å; I1935-L1983 HydrophobicContact CB-CB 4.25Å; I1935-L1983 HydrophobicContact CG2-CB 3.46Å; I1935-L1983 VanDerWaalsContact CG2-CB 3.46Å; I1935-I1984 HydrophobicContact CD1-CD1 4.06Å; I1935-I1984 HydrophobicContact CD1-CG1 4.01Å; I1935-I1984 HydrophobicContact CG1-CG1 4.18Å; I1935-I1984 HydrophobicContact CG2-CG1 3.65Å |
| 1936 | Q | 92 | Very high | 89 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.7 | -30.9 | 178.8 | -75.3 | 177.9 | 27.9 | 0 | 0 | 112.8 | Q1892 M1932 D1933 L1983 | Q1892-Q1936 PolarHBondContact NE2-O 3.32Å; Q1892-Q1936 VanDerWaalsContact NE2-O 3.1Å; M1932-Q1936 WeakPolarHBondContact O-CB 3.34Å; M1932-Q1936 VanDerWaalsContact O-CG 3.26Å; M1932-Q1936 WeakPolarHBondContact O-CG 3.27Å; M1932-Q1936 PolarHBondContact O-N 2.96Å; D1933-Q1936 PolarHBondContact O-N 3.18Å; Q1936-L1983 HydrophobicContact CG-CD1 4.09Å; Q1936-L1983 HydrophobicContact CG-CD2 3.8Å; Q1936-L1983 HydrophobicContact CG-CG 4.46Å |
| 1937 | F | 93.8 | Very high | 88.4 | Confident | 19 Ų | 19 | 37.2 Ų | 37.2 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.5 | -43.6 | 169.3 | 175 | -99.3 | 0 | 0 | 0 | 112.4 | F881 P1891 Q1892 P1895 T1898 D1933 I1934 I1935 P1940 F1941 I1951 | F881-F1937 HydrophobicContact CE2-CZ 4.2Å; P1891-F1937 HydrophobicContact CB-CB 3.92Å; P1891-F1937 HydrophobicContact CB-CD1 4.03Å; P1891-F1937 HydrophobicContact CB-CD2 3.61Å; P1891-F1937 HydrophobicContact CB-CE1 4.47Å; P1891-F1937 HydrophobicContact CB-CE2 4.08Å; P1891-F1937 HydrophobicContact CB-CG 3.57Å; P1891-F1937 HydrophobicContact CB-CZ 4.48Å; P1891-F1937 WeakPolarHBondContact O-CD2 3.39Å; Q1892-F1937 HydrophobicContact CG-CB 4.11Å; Q1892-F1937 HydrophobicContact CG-CD2 4.48Å; P1895-F1937 HydrophobicContact CB-CE2 4.33Å; T1898-F1937 HydrophobicContact CG2-CD1 4.32Å; T1898-F1937 HydrophobicContact CG2-CE1 3.75Å; T1898-F1937 HydrophobicContact CG2-CZ 4.14Å; D1933-F1937 PolarHBondContact O-N 3.33Å; I1934-F1937 HydrophobicContact CD1-CD1 4.1Å; I1934-F1937 PolarHBondContact O-N 2.99Å; I1935-F1937 VanDerWaalsContact C-N 3.28Å; I1935-F1937 PolarHBondContact O-N 3.38Å; F1937-P1940 WeakPolarHBondContact O-CD 3.37Å; F1937-F1941 HydrophobicContact CZ-CE2 4.43Å; F1937-F1941 WeakPolarHBondContact O-CD2 3.27Å; F1937-F1941 WeakPolarHBondContact O-CE2 3.15Å; F1937-I1951 HydrophobicContact CE1-CD1 4.43Å |
| 1938 | L | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.6 | -32.8 | -178.1 | -70.7 | -179 | 0 | 0 | 0 | 114.1 | I1934 I1935 F1941 L1942 I1951 V1954 F1958 | I1934-L1938 HydrophobicContact CD1-CG 4.49Å; I1934-L1938 HydrophobicContact CG1-CD1 4.21Å; I1934-L1938 HydrophobicContact CG1-CG 4.39Å; I1934-L1938 WeakPolarHBondContact O-CB 3.19Å; I1934-L1938 VanDerWaalsContact O-CG 3.25Å; I1934-L1938 WeakPolarHBondContact O-CG 3.33Å; I1934-L1938 PolarHBondContact O-N 3.14Å; I1935-L1938 PolarHBondContact O-N 3.23Å; I1935-L1938 VanDerWaalsContact O-N 3.14Å; L1938-F1941 PolarHBondContact O-N 3.34Å; L1938-L1942 HydrophobicContact CB-CD1 3.74Å; L1938-L1942 HydrophobicContact CB-CG 4.16Å; L1938-L1942 WeakPolarHBondContact O-CB 3.13Å; L1938-L1942 WeakPolarHBondContact O-CG 3.11Å; L1938-L1942 PolarHBondContact O-N 2.99Å; L1938-I1951 HydrophobicContact CD2-CD1 3.63Å; L1938-I1951 HydrophobicContact CD2-CG2 4.02Å; L1938-V1954 HydrophobicContact CD1-CG1 4.5Å; L1938-V1954 HydrophobicContact CD2-CB 4.21Å; L1938-V1954 HydrophobicContact CD2-CG1 3.75Å; L1938-V1954 HydrophobicContact CG-CG1 4.42Å; L1938-F1958 HydrophobicContact CD1-CB 4.43Å; L1938-F1958 HydrophobicContact CD1-CD1 4.13Å; L1938-F1958 HydrophobicContact CD1-CG 4.36Å |
| 1939 | A | 87.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.9 | -42.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I1935 R1943 P1985 | I1935-A1939 VanDerWaalsContact O-CB 3.28Å; I1935-A1939 WeakPolarHBondContact O-CB 3.48Å; I1935-A1939 PolarHBondContact O-N 2.7Å; A1939-R1943 VanDerWaalsContact O-CB 3.26Å; A1939-R1943 WeakPolarHBondContact O-CB 3.38Å; A1939-R1943 PolarHBondContact O-N 2.91Å; A1939-P1985 HydrophobicContact CB-CG 4.33Å; A1939-P1985 WeakPolarHBondContact O-CG 3.44Å |
| 1940 | P | 85.5 | Confident | 87.1 | Confident | 71 Ų | 71 | 34.2 Ų | 34.2 | 46% | 0.461 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.6 | -49.1 | 176.8 | 22.3 | -32.9 | 0 | 0 | 0 | 112.4 | F1937 L1942 R1943 G1944 | F1937-P1940 WeakPolarHBondContact O-CD 3.37Å; P1940-L1942 PolarHBondContact O-N 3.45Å; P1940-R1943 PolarHBondContact O-N 3.25Å; P1940-G1944 PolarHBondContact O-N 2.88Å |
| 1941 | F | 87.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 34.1 Ų | 34.1 | 20% | 0.197 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 179.3 | -54 | -76.4 | 0 | 0 | 0 | 111.8 | F881 F1937 L1938 R1943 G1944 L1945 Q1946 I1951 | F881-F1941 HydrophobicContact CE1-CE1 4.39Å; F881-F1941 AromaticContact CZ-CE1 3.92Å; F881-F1941 HydrophobicContact CZ-CE1 3.92Å; F881-F1941 AromaticContact CZ-CZ 3.86Å; F881-F1941 HydrophobicContact CZ-CZ 3.86Å; F1937-F1941 HydrophobicContact CZ-CE2 4.43Å; F1937-F1941 WeakPolarHBondContact O-CD2 3.27Å; F1937-F1941 WeakPolarHBondContact O-CE2 3.15Å; L1938-F1941 PolarHBondContact O-N 3.34Å; F1941-R1943 PolarHBondContact O-N 2.91Å; F1941-G1944 PolarHBondContact O-N 3.37Å; F1941-L1945 PolarHBondContact O-N 3.23Å; F1941-Q1946 PolarHBondContact O-N 3.05Å; F1941-Q1946 VanDerWaalsContact O-N 3.1Å; F1941-I1951 HydrophobicContact CB-CD1 3.81Å; F1941-I1951 HydrophobicContact CB-CG1 3.72Å; F1941-I1951 HydrophobicContact CB-CG2 4.45Å; F1941-I1951 HydrophobicContact CD1-CD1 4.2Å; F1941-I1951 HydrophobicContact CD1-CG1 4.16Å; F1941-I1951 HydrophobicContact CD2-CD1 3.3Å; F1941-I1951 HydrophobicContact CD2-CG1 4.08Å; F1941-I1951 HydrophobicContact CE2-CD1 3.84Å; F1941-I1951 HydrophobicContact CG-CD1 3.5Å; F1941-I1951 HydrophobicContact CG-CG1 3.73Å; F1941-I1951 HydrophobicContact CZ-CD1 4.48Å |
| 1942 | L | 87.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 178.1 | -71.3 | -178.2 | 0 | 0 | 0 | 112.8 | L1938 P1940 F1947 I1951 Y1955 P1985 N1987 L1991 | L1938-L1942 HydrophobicContact CB-CD1 3.74Å; L1938-L1942 HydrophobicContact CB-CG 4.16Å; L1938-L1942 WeakPolarHBondContact O-CB 3.13Å; L1938-L1942 WeakPolarHBondContact O-CG 3.11Å; L1938-L1942 PolarHBondContact O-N 2.99Å; P1940-L1942 PolarHBondContact O-N 3.45Å; L1942-F1947 HydrophobicContact CD2-CD1 4.37Å; L1942-F1947 HydrophobicContact CD2-CE1 3.43Å; L1942-F1947 VanDerWaalsContact CD2-CE1 3.43Å; L1942-F1947 HydrophobicContact CD2-CZ 3.63Å; L1942-I1951 HydrophobicContact CD2-CG2 4.15Å; L1942-Y1955 HydrophobicContact CD1-CD2 4.29Å; L1942-Y1955 HydrophobicContact CD2-CD2 3.64Å; L1942-Y1955 HydrophobicContact CD2-CE2 3.91Å; L1942-P1985 HydrophobicContact CB-CG 4.04Å; L1942-N1987 PolarHBondContact O-ND2 2.98Å; L1942-L1991 HydrophobicContact CD1-CD1 4.01Å |
| 1943 | R | 83.8 | Confident | 86.3 | Confident | 131 Ų | 131 | 33 Ų | 33 | 49% | 0.494 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.9 | -39.5 | 176.7 | -172.8 | -176 | -64.4 | 114.3 | -1.8 | 111.9 | A1939 P1940 F1941 L1945 P1985 | A1939-R1943 VanDerWaalsContact O-CB 3.26Å; A1939-R1943 WeakPolarHBondContact O-CB 3.38Å; A1939-R1943 PolarHBondContact O-N 2.91Å; P1940-R1943 PolarHBondContact O-N 3.25Å; F1941-R1943 PolarHBondContact O-N 2.91Å; R1943-L1945 VanDerWaalsContact C-N 3.28Å; R1943-L1945 PolarHBondContact O-N 3.31Å; R1943-P1985 HydrophobicContact CB-CB 4.22Å; R1943-P1985 HydrophobicContact CB-CG 4.03Å |
| 1944 | G | 76.8 | Confident | 86.2 | Confident | 49 Ų | 49 | 32.9 Ų | 32.9 | 51% | 0.505 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1940 F1941 Q1946 | P1940-G1944 PolarHBondContact O-N 2.88Å; F1941-G1944 PolarHBondContact O-N 3.37Å; G1944-Q1946 PolarHBondContact O-N 3.06Å |
| 1945 | L | 79.5 | Confident | 86 | Confident | 115 Ų | 115 | 34.3 Ų | 34.3 | 60% | 0.602 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 11.8 | -166 | -62.3 | 173.2 | 0 | 0 | 0 | 114.2 | F1941 R1943 F1947 N1987 | F1941-L1945 PolarHBondContact O-N 3.23Å; R1943-L1945 VanDerWaalsContact C-N 3.28Å; R1943-L1945 PolarHBondContact O-N 3.31Å; L1945-F1947 HydrophobicContact CD2-CE2 4Å; L1945-F1947 WeakPolarHBondContact O-CD2 3.02Å; L1945-F1947 PolarHBondContact O-N 3.19Å; L1945-N1987 WeakPolarHBondContact CD2-ND2 3.04Å |
| 1946 | Q | 74.2 | Confident | 85.9 | Confident | 108 Ų | 108 | 38 Ų | 38 | 51% | 0.505 | 19% | 0.192 | S | C | . | . | trans | -74.5 | 59.3 | 171.7 | -72.1 | -178.5 | -19.5 | 0 | 0 | 110.2 | F1941 G1944 T1948 | F1941-Q1946 PolarHBondContact O-N 3.05Å; F1941-Q1946 VanDerWaalsContact O-N 3.1Å; G1944-Q1946 PolarHBondContact O-N 3.06Å; Q1946-T1948 PolarHBondContact O-N 2.99Å | ||
| 1947 | F | 75.2 | Confident | 85.8 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | trans | -59.9 | 93.1 | 155.5 | -69.1 | -78.6 | 0 | 0 | 0 | 105.8 | N885 N890 L1942 L1945 I1951 Y1955 | N885-F1947 VanDerWaalsContact ND2-C 3.27Å; N885-F1947 VanDerWaalsContact ND2-CA 3.33Å; N885-F1947 WeakPolarHBondContact ND2-CA 3.47Å; N885-F1947 VanDerWaalsContact ND2-CB 3.35Å; N885-F1947 WeakPolarHBondContact ND2-CB 3.36Å; N890-F1947 HydrophobicContact CB-CB 4.21Å; N890-F1947 WeakPolarHBondContact CB-O 3.05Å; N890-F1947 VanDerWaalsContact ND2-CB 3.29Å; N890-F1947 WeakPolarHBondContact ND2-CB 3.42Å; N890-F1947 PolarHBondContact ND2-O 3.3Å; L1942-F1947 HydrophobicContact CD2-CD1 4.37Å; L1942-F1947 HydrophobicContact CD2-CE1 3.43Å; L1942-F1947 VanDerWaalsContact CD2-CE1 3.43Å; L1942-F1947 HydrophobicContact CD2-CZ 3.63Å; L1945-F1947 HydrophobicContact CD2-CE2 4Å; L1945-F1947 WeakPolarHBondContact O-CD2 3.02Å; L1945-F1947 PolarHBondContact O-N 3.19Å; F1947-I1951 HydrophobicContact CD1-CB 4.4Å; F1947-I1951 HydrophobicContact CD1-CG2 3.83Å; F1947-I1951 HydrophobicContact CE1-CG2 4.2Å; F1947-Y1955 HydrophobicContact CE1-CD2 4.47Å; F1947-Y1955 HydrophobicContact CE1-CE2 4.46Å | ||
| 1948 | T | 80.9 | Confident | 85.9 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | trans | -70.5 | -146.3 | 173.4 | 60.2 | 0 | 0 | 0 | 0 | 109.9 | F881 N885 N890 Q1946 S1950 | F881-T1948 HydrophobicContact CE1-CG2 4.2Å; F881-T1948 VanDerWaalsContact CE1-OG1 3.3Å; F881-T1948 WeakPolarHBondContact CE1-OG1 3.23Å; N885-T1948 WeakPolarHBondContact CB-O 3.24Å; N885-T1948 PolarHBondContact ND2-N 2.94Å; N885-T1948 PolarHBondContact ND2-O 3.27Å; N890-T1948 PolarHBondContact ND2-O 3.43Å; Q1946-T1948 PolarHBondContact O-N 2.99Å; T1948-S1950 PolarHBondContact OG1-N 3.09Å | ||
| 1949 | K | 81.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -104.4 | 10.6 | 169.5 | -155.5 | 176.8 | 149.7 | -168.8 | 0 | 112.7 | F881 L882 F883 N884 N885 L886 K894 F933 | F881-K1949 CarbonylContact O-C 3.54Å; F881-K1949 VanDerWaalsContact O-C 3.29Å; L882-K1949 VanDerWaalsContact C-CB 3.5Å; L882-K1949 VanDerWaalsContact C-CG 3.45Å; L882-K1949 CarbonylContact C-O 3.59Å; L882-K1949 HydrophobicContact CB-CB 4.3Å; L882-K1949 HydrophobicContact CD2-CB 3.78Å; L882-K1949 HydrophobicContact CD2-CD 4.04Å; L882-K1949 HydrophobicContact CD2-CG 4.41Å; L882-K1949 HydrophobicContact CG-CB 3.96Å; L882-K1949 WeakPolarHBondContact O-CB 3.44Å; L882-K1949 WeakPolarHBondContact O-CD 3.31Å; L882-K1949 WeakPolarHBondContact O-CE 3.25Å; L882-K1949 WeakPolarHBondContact O-CG 3.19Å; F883-K1949 CarbonylContact C-O 3.4Å; F883-K1949 WeakPolarHBondContact CA-O 3.18Å; F883-K1949 VanDerWaalsContact CD1-CE 3.41Å; F883-K1949 PolarHBondContact N-O 2.95Å; N884-K1949 CarbonylContact C-O 3.57Å; N884-K1949 PolarHBondContact N-O 3.03Å; N885-K1949 VanDerWaalsContact CB-CA 3.42Å; N885-K1949 HydrophobicContact CB-CB 4.43Å; N885-K1949 HydrophobicContact CB-CG 4.35Å; N885-K1949 WeakPolarHBondContact CB-O 3.31Å; N885-K1949 PolarHBondContact N-O 3.1Å; L886-K1949 HydrophobicContact CB-CD 3.8Å; L886-K1949 HydrophobicContact CB-CG 3.67Å; L886-K1949 HydrophobicContact CD1-CD 3.56Å; L886-K1949 HydrophobicContact CD1-CG 3.79Å; L886-K1949 HydrophobicContact CD2-CD 3.91Å; L886-K1949 HydrophobicContact CG-CD 3.92Å; L886-K1949 HydrophobicContact CG-CG 4.18Å; K894-K1949 HydrophobicContact CB-CB 3.9Å; K894-K1949 HydrophobicContact CD-CB 3.5Å; K894-K1949 VanDerWaalsContact CD-CB 3.5Å; K894-K1949 HydrophobicContact CG-CB 3.58Å; K894-K1949 VanDerWaalsContact CG-N 3.25Å; F933-K1949 HydrophobicContact CD2-CD 3.61Å; F933-K1949 HydrophobicContact CE2-CD 3.54Å; F933-K1949 HydrophobicContact CG-CD 4.17Å; F933-K1949 HydrophobicContact CZ-CD 4.06Å |
| 1950 | S | 85.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -135.1 | 52.5 | 155.8 | -62.6 | 0 | 0 | 0 | 0 | 119.7 | S880 F881 L882 F883 N884 Y1899 T1948 V1954 | S880-S1950 PolarHBondContact O-OG 2.8Å; F881-S1950 WeakPolarHBondContact CA-OG 3.32Å; F881-S1950 WeakPolarHBondContact CE2-O 3.43Å; F881-S1950 WeakPolarHBondContact O-CB 3.48Å; F881-S1950 PolarHBondContact O-N 3.44Å; F881-S1950 PolarHBondContact O-OG 3.02Å; L882-S1950 PolarHBondContact N-OG 2.83Å; F883-S1950 PolarHBondContact N-OG 2.95Å; N884-S1950 WeakPolarHBondContact CA-OG 3.05Å; N884-S1950 VanDerWaalsContact CB-OG 3.26Å; N884-S1950 WeakPolarHBondContact CB-OG 3.31Å; N884-S1950 PolarHBondContact N-OG 3.21Å; N884-S1950 CarbonylContact O-C 3.6Å; N884-S1950 VanDerWaalsContact O-C 3.32Å; N884-S1950 WeakPolarHBondContact O-CA 3.37Å; Y1899-S1950 WeakPolarHBondContact OH-CB 3.19Å; Y1899-S1950 PolarHBondContact OH-OG 2.92Å; T1948-S1950 PolarHBondContact OG1-N 3.09Å; S1950-V1954 VanDerWaalsContact O-CG2 3.3Å; S1950-V1954 WeakPolarHBondContact O-CG2 3.29Å |
| 1951 | I | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -112.8 | -71.5 | 162.6 | -62.4 | -67.5 | 0 | 0 | 0 | 112.4 | F881 N884 N885 F1937 L1938 F1941 L1942 F1947 I1953 V1954 Y1955 | F881-I1951 HydrophobicContact CE2-CD1 4.45Å; F881-I1951 HydrophobicContact CZ-CD1 4.27Å; F881-I1951 HydrophobicContact CZ-CG1 4.42Å; N884-I1951 CarbonylContact O-C 3.46Å; N884-I1951 PolarHBondContact O-N 3.48Å; N885-I1951 VanDerWaalsContact CB-N 3.33Å; N885-I1951 WeakPolarHBondContact ND2-CB 3.4Å; N885-I1951 PolarHBondContact ND2-N 3.36Å; F1937-I1951 HydrophobicContact CE1-CD1 4.43Å; L1938-I1951 HydrophobicContact CD2-CD1 3.63Å; L1938-I1951 HydrophobicContact CD2-CG2 4.02Å; F1941-I1951 HydrophobicContact CB-CD1 3.81Å; F1941-I1951 HydrophobicContact CB-CG1 3.72Å; F1941-I1951 HydrophobicContact CB-CG2 4.45Å; F1941-I1951 HydrophobicContact CD1-CD1 4.2Å; F1941-I1951 HydrophobicContact CD1-CG1 4.16Å; F1941-I1951 HydrophobicContact CD2-CD1 3.3Å; F1941-I1951 HydrophobicContact CD2-CG1 4.08Å; F1941-I1951 HydrophobicContact CE2-CD1 3.84Å; F1941-I1951 HydrophobicContact CG-CD1 3.5Å; F1941-I1951 HydrophobicContact CG-CG1 3.73Å; F1941-I1951 HydrophobicContact CZ-CD1 4.48Å; L1942-I1951 HydrophobicContact CD2-CG2 4.15Å; F1947-I1951 HydrophobicContact CD1-CB 4.4Å; F1947-I1951 HydrophobicContact CD1-CG2 3.83Å; F1947-I1951 HydrophobicContact CE1-CG2 4.2Å; I1951-I1953 VanDerWaalsContact C-N 3.29Å; I1951-I1953 PolarHBondContact O-N 3.46Å; I1951-V1954 CarbonylContact O-C 3.57Å; I1951-V1954 VanDerWaalsContact O-CA 3.26Å; I1951-V1954 WeakPolarHBondContact O-CA 3.39Å; I1951-V1954 WeakPolarHBondContact O-CB 3.29Å; I1951-V1954 PolarHBondContact O-N 3.06Å; I1951-Y1955 PolarHBondContact O-N 3.5Å |
| 1952 | S | 87.4 | Confident | 86.9 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | 7.9 | -174.7 | 108.1 | 0 | 0 | 0 | 0 | 121.2 | N885 R1956 | N885-S1952 VanDerWaalsContact CA-N 3.32Å; N885-S1952 PolarHBondContact ND2-N 2.82Å; N885-S1952 CarbonylContact O-C 3.32Å; N885-S1952 WeakPolarHBondContact O-CA 3.25Å; N885-S1952 PolarHBondContact O-OG 3.17Å; N885-S1952 WeakPolarHBondContact OD1-CA 3.09Å; N885-S1952 WeakPolarHBondContact OD1-CB 3.15Å; N885-S1952 PolarHBondContact OD1-N 3.37Å; N885-S1952 PolarHBondContact OD1-OG 3.38Å; S1952-R1956 WeakPolarHBondContact O-CA 3.38Å; S1952-R1956 WeakPolarHBondContact O-CB 3.43Å; S1952-R1956 WeakPolarHBondContact O-CD 3.33Å; S1952-R1956 WeakPolarHBondContact O-CG 3.34Å; S1952-R1956 PolarHBondContact O-N 3Å |
| 1953 | I | 88.4 | Confident | 87.2 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -104.3 | -33.1 | 156.8 | -44 | -171 | 0 | 0 | 0 | 110.4 | F883 N884 N885 E923 F926 Y930 I1951 Y1955 G1957 | F883-I1953 VanDerWaalsContact O-CD1 3.27Å; F883-I1953 WeakPolarHBondContact O-CD1 3.41Å; N884-I1953 HydrophobicContact CB-CB 4.19Å; N884-I1953 CarbonylContact O-C 3.37Å; N884-I1953 VanDerWaalsContact O-CA 3.25Å; N884-I1953 WeakPolarHBondContact O-CA 3.43Å; N884-I1953 VanDerWaalsContact O-CB 3.29Å; N884-I1953 WeakPolarHBondContact O-CB 3.19Å; N884-I1953 PolarHBondContact O-N 3.31Å; N884-I1953 WeakPolarHBondContact OD1-CB 3.31Å; N884-I1953 WeakPolarHBondContact OD1-CG2 3.26Å; N885-I1953 VanDerWaalsContact O-CG1 3.28Å; N885-I1953 WeakPolarHBondContact O-CG1 3.35Å; N885-I1953 PolarHBondContact O-N 3.24Å; N885-I1953 VanDerWaalsContact O-N 3.16Å; E923-I1953 VanDerWaalsContact OE2-CD1 3.23Å; E923-I1953 WeakPolarHBondContact OE2-CD1 3.5Å; F926-I1953 HydrophobicContact CD1-CD1 3.62Å; F926-I1953 HydrophobicContact CD1-CG1 4.13Å; F926-I1953 HydrophobicContact CD2-CD1 4.47Å; F926-I1953 HydrophobicContact CE1-CB 4.46Å; F926-I1953 HydrophobicContact CE1-CD1 3.33Å; F926-I1953 HydrophobicContact CE1-CG1 3.35Å; F926-I1953 HydrophobicContact CE2-CD1 4.22Å; F926-I1953 HydrophobicContact CE2-CG2 4.46Å; F926-I1953 HydrophobicContact CG-CD1 4.17Å; F926-I1953 HydrophobicContact CZ-CB 4.28Å; F926-I1953 HydrophobicContact CZ-CD1 3.64Å; F926-I1953 HydrophobicContact CZ-CG1 3.6Å; F926-I1953 HydrophobicContact CZ-CG2 3.93Å; Y930-I1953 HydrophobicContact CE1-CD1 4.47Å; Y930-I1953 VanDerWaalsContact OH-CD1 3.28Å; Y930-I1953 WeakPolarHBondContact OH-CD1 3.35Å; I1951-I1953 VanDerWaalsContact C-N 3.29Å; I1951-I1953 PolarHBondContact O-N 3.46Å; I1953-Y1955 PolarHBondContact O-N 3.37Å; I1953-G1957 VanDerWaalsContact O-CA 3.24Å; I1953-G1957 WeakPolarHBondContact O-CA 3.48Å; I1953-G1957 PolarHBondContact O-N 3.06Å |
| 1954 | V | 91.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.9 | -39.1 | 155.9 | -169.4 | 0 | 0 | 0 | 0 | 109.5 | N884 T1898 Y1899 M1902 I1934 L1938 S1950 I1951 F1958 | N884-V1954 HydrophobicContact CB-CG2 4.19Å; N884-V1954 PolarHBondContact O-N 3.16Å; T1898-V1954 HydrophobicContact CG2-CG1 3.98Å; T1898-V1954 HydrophobicContact CG2-CG2 4.29Å; Y1899-V1954 HydrophobicContact CD1-CG2 3.97Å; Y1899-V1954 HydrophobicContact CE1-CG2 3.54Å; M1902-V1954 WeakPolarHBondContact CE-O 3.49Å; M1902-V1954 HydrophobicContact SD-CB 4.13Å; M1902-V1954 HydrophobicContact SD-CG1 3.34Å; M1902-V1954 WeakPolarHBondContact SD-CG1 3.42Å; I1934-V1954 HydrophobicContact CD1-CG1 3.79Å; L1938-V1954 HydrophobicContact CD1-CG1 4.5Å; L1938-V1954 HydrophobicContact CD2-CB 4.21Å; L1938-V1954 HydrophobicContact CD2-CG1 3.75Å; L1938-V1954 HydrophobicContact CG-CG1 4.42Å; S1950-V1954 VanDerWaalsContact O-CG2 3.3Å; S1950-V1954 WeakPolarHBondContact O-CG2 3.29Å; I1951-V1954 CarbonylContact O-C 3.57Å; I1951-V1954 VanDerWaalsContact O-CA 3.26Å; I1951-V1954 WeakPolarHBondContact O-CA 3.39Å; I1951-V1954 WeakPolarHBondContact O-CB 3.29Å; I1951-V1954 PolarHBondContact O-N 3.06Å; V1954-F1958 WeakPolarHBondContact O-CB 3.46Å; V1954-F1958 PolarHBondContact O-N 3.21Å |
| 1955 | Y | 91.5 | Very high | 88.4 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 14% | 0.137 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -90.5 | -32.9 | -178.6 | 153.1 | -61.4 | 0 | 0 | 0 | 113.7 | L1942 F1947 I1951 I1953 G1957 F1958 L1959 L1991 | L1942-Y1955 HydrophobicContact CD1-CD2 4.29Å; L1942-Y1955 HydrophobicContact CD2-CD2 3.64Å; L1942-Y1955 HydrophobicContact CD2-CE2 3.91Å; F1947-Y1955 HydrophobicContact CE1-CD2 4.47Å; F1947-Y1955 HydrophobicContact CE1-CE2 4.46Å; I1951-Y1955 PolarHBondContact O-N 3.5Å; I1953-Y1955 PolarHBondContact O-N 3.37Å; Y1955-G1957 VanDerWaalsContact C-N 3.31Å; Y1955-F1958 PolarHBondContact O-N 2.91Å; Y1955-L1959 HydrophobicContact CD1-CD1 3.87Å; Y1955-L1959 HydrophobicContact CD1-CG 4.49Å; Y1955-L1959 HydrophobicContact CE1-CD1 3.44Å; Y1955-L1959 VanDerWaalsContact CE1-CD1 3.44Å; Y1955-L1959 HydrophobicContact CE1-CG 4.3Å; Y1955-L1959 VanDerWaalsContact O-CB 3.29Å; Y1955-L1959 WeakPolarHBondContact O-CB 3.41Å; Y1955-L1959 WeakPolarHBondContact O-CG 3.37Å; Y1955-L1959 PolarHBondContact O-N 3.12Å; Y1955-L1991 HydrophobicContact CD2-CD1 3.71Å; Y1955-L1991 HydrophobicContact CD2-CG 4.28Å; Y1955-L1991 HydrophobicContact CE2-CD1 3.48Å; Y1955-L1991 VanDerWaalsContact CE2-CD1 3.48Å; Y1955-L1991 HydrophobicContact CE2-CD2 4.36Å; Y1955-L1991 HydrophobicContact CE2-CG 3.76Å |
| 1956 | R | 90.4 | Very high | 89.1 | Confident | 80 Ų | 80 | 31.7 Ų | 31.7 | 30% | 0.302 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.8 | -32.7 | 165.3 | -76.1 | 160.6 | -168.1 | -146.5 | -0.6 | 111.1 | F926 L929 S1952 R1960 | F926-R1956 HydrophobicContact CZ-CB 4.35Å; F926-R1956 HydrophobicContact CZ-CG 4.45Å; L929-R1956 VanDerWaalsContact CD2-NH2 3.26Å; S1952-R1956 WeakPolarHBondContact O-CA 3.38Å; S1952-R1956 WeakPolarHBondContact O-CB 3.43Å; S1952-R1956 WeakPolarHBondContact O-CD 3.33Å; S1952-R1956 WeakPolarHBondContact O-CG 3.34Å; S1952-R1956 PolarHBondContact O-N 3Å; R1956-R1960 VanDerWaalsContact O-CG 3.3Å; R1956-R1960 WeakPolarHBondContact O-CG 3.46Å; R1956-R1960 PolarHBondContact O-N 3.46Å |
| 1957 | G | 90.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 16% | 0.155 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.4 | -44.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1953 Y1955 L1959 R1960 I1961 | I1953-G1957 VanDerWaalsContact O-CA 3.24Å; I1953-G1957 WeakPolarHBondContact O-CA 3.48Å; I1953-G1957 PolarHBondContact O-N 3.06Å; Y1955-G1957 VanDerWaalsContact C-N 3.31Å; G1957-L1959 VanDerWaalsContact C-N 3.34Å; G1957-L1959 PolarHBondContact O-N 2.83Å; G1957-R1960 WeakPolarHBondContact O-CA 3.33Å; G1957-R1960 WeakPolarHBondContact O-CB 3.45Å; G1957-R1960 PolarHBondContact O-N 2.99Å; G1957-R1960 VanDerWaalsContact O-N 3.12Å; G1957-I1961 WeakPolarHBondContact O-CG1 3.42Å; G1957-I1961 PolarHBondContact O-N 2.84Å |
| 1958 | F | 94.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 174.2 | -175.4 | -119.3 | 0 | 0 | 0 | 111.7 | M1902 L1931 I1934 I1935 L1938 V1954 Y1955 I1961 L1962 L1991 | M1902-F1958 HydrophobicContact CE-CB 4Å; M1902-F1958 VanDerWaalsContact CE-N 3.3Å; L1931-F1958 HydrophobicContact CD2-CE2 3.78Å; I1934-F1958 HydrophobicContact CG1-CD2 4.46Å; I1934-F1958 HydrophobicContact CG2-CD2 3.72Å; I1934-F1958 HydrophobicContact CG2-CE2 3.44Å; I1934-F1958 VanDerWaalsContact CG2-CE2 3.44Å; I1934-F1958 HydrophobicContact CG2-CZ 4.22Å; I1935-F1958 HydrophobicContact CD1-CE1 4.49Å; I1935-F1958 HydrophobicContact CD1-CZ 3.89Å; I1935-F1958 HydrophobicContact CG1-CE1 3.82Å; I1935-F1958 HydrophobicContact CG1-CE2 4.36Å; I1935-F1958 HydrophobicContact CG1-CZ 3.44Å; I1935-F1958 VanDerWaalsContact CG1-CZ 3.44Å; L1938-F1958 HydrophobicContact CD1-CB 4.43Å; L1938-F1958 HydrophobicContact CD1-CD1 4.13Å; L1938-F1958 HydrophobicContact CD1-CG 4.36Å; V1954-F1958 WeakPolarHBondContact O-CB 3.46Å; V1954-F1958 PolarHBondContact O-N 3.21Å; Y1955-F1958 PolarHBondContact O-N 2.91Å; F1958-I1961 PolarHBondContact O-N 2.83Å; F1958-L1962 HydrophobicContact CD1-CD1 3.96Å; F1958-L1962 HydrophobicContact CE1-CD1 3.57Å; F1958-L1962 HydrophobicContact CE1-CG 4.25Å; F1958-L1962 HydrophobicContact CE2-CD1 4.48Å; F1958-L1962 HydrophobicContact CE2-CG 4.3Å; F1958-L1962 HydrophobicContact CZ-CD1 3.84Å; F1958-L1962 HydrophobicContact CZ-CD2 4.28Å; F1958-L1962 HydrophobicContact CZ-CG 4.1Å; F1958-L1962 WeakPolarHBondContact O-CB 3.22Å; F1958-L1962 WeakPolarHBondContact O-CG 3.15Å; F1958-L1962 PolarHBondContact O-N 3.46Å; F1958-L1991 HydrophobicContact CD1-CD1 4.47Å; F1958-L1991 HydrophobicContact CD1-CD2 3.77Å; F1958-L1991 HydrophobicContact CE1-CD1 4.47Å; F1958-L1991 HydrophobicContact CE1-CD2 3.96Å |
| 1959 | L | 93 | Very high | 91.1 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 168.1 | -76.7 | 168 | 0 | 0 | 0 | 111.5 | Y1955 G1957 L1962 L1963 L1991 L1994 | Y1955-L1959 HydrophobicContact CD1-CD1 3.87Å; Y1955-L1959 HydrophobicContact CD1-CG 4.49Å; Y1955-L1959 HydrophobicContact CE1-CD1 3.44Å; Y1955-L1959 VanDerWaalsContact CE1-CD1 3.44Å; Y1955-L1959 HydrophobicContact CE1-CG 4.3Å; Y1955-L1959 VanDerWaalsContact O-CB 3.29Å; Y1955-L1959 WeakPolarHBondContact O-CB 3.41Å; Y1955-L1959 WeakPolarHBondContact O-CG 3.37Å; Y1955-L1959 PolarHBondContact O-N 3.12Å; G1957-L1959 VanDerWaalsContact C-N 3.34Å; G1957-L1959 PolarHBondContact O-N 2.83Å; L1959-L1962 PolarHBondContact O-N 3.38Å; L1959-L1963 WeakPolarHBondContact O-CB 3.4Å; L1959-L1963 WeakPolarHBondContact O-CD1 3.4Å; L1959-L1963 VanDerWaalsContact O-CG 3.23Å; L1959-L1963 WeakPolarHBondContact O-CG 3.44Å; L1959-L1963 PolarHBondContact O-N 3.3Å; L1959-L1991 HydrophobicContact CD2-CD2 3.59Å; L1959-L1991 HydrophobicContact CD2-CG 4.36Å; L1959-L1991 HydrophobicContact CG-CD2 4.05Å; L1959-L1994 HydrophobicContact CD2-CD1 3.35Å |
| 1960 | R | 92.7 | Very high | 91.7 | Very high | 134 Ų | 134 | 36.4 Ų | 36.4 | 51% | 0.506 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 173.6 | -74.3 | 170.3 | -175.2 | 176.1 | 2.4 | 111.8 | R1956 G1957 L1963 V1964 | R1956-R1960 VanDerWaalsContact O-CG 3.3Å; R1956-R1960 WeakPolarHBondContact O-CG 3.46Å; R1956-R1960 PolarHBondContact O-N 3.46Å; G1957-R1960 WeakPolarHBondContact O-CA 3.33Å; G1957-R1960 WeakPolarHBondContact O-CB 3.45Å; G1957-R1960 PolarHBondContact O-N 2.99Å; G1957-R1960 VanDerWaalsContact O-N 3.12Å; R1960-L1963 PolarHBondContact O-N 2.83Å; R1960-V1964 WeakPolarHBondContact O-CG2 3.3Å; R1960-V1964 PolarHBondContact O-N 2.97Å |
| 1961 | I | 94.7 | Very high | 91.9 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.087 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 175.8 | -67.8 | 171.4 | 0 | 0 | 0 | 110 | M1902 L1931 G1957 F1958 L1963 V1964 L1965 | M1902-I1961 HydrophobicContact CE-CD1 3.74Å; L1931-I1961 HydrophobicContact CD2-CG2 4.38Å; G1957-I1961 WeakPolarHBondContact O-CG1 3.42Å; G1957-I1961 PolarHBondContact O-N 2.84Å; F1958-I1961 PolarHBondContact O-N 2.83Å; I1961-L1963 VanDerWaalsContact C-N 3.32Å; I1961-L1963 PolarHBondContact O-N 3.19Å; I1961-V1964 PolarHBondContact O-N 2.59Å; I1961-L1965 HydrophobicContact CG2-CD1 3.77Å; I1961-L1965 HydrophobicContact CG2-CG 4.36Å; I1961-L1965 VanDerWaalsContact O-CG 3.22Å; I1961-L1965 WeakPolarHBondContact O-CG 3.25Å; I1961-L1965 PolarHBondContact O-N 3.11Å |
| 1962 | L | 94.7 | Very high | 92 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -33.9 | 177.1 | -73.4 | 176.7 | 0 | 0 | 0 | 113.3 | F1958 L1959 L1966 L1973 L1991 L1994 I1995 | F1958-L1962 HydrophobicContact CD1-CD1 3.96Å; F1958-L1962 HydrophobicContact CE1-CD1 3.57Å; F1958-L1962 HydrophobicContact CE1-CG 4.25Å; F1958-L1962 HydrophobicContact CE2-CD1 4.48Å; F1958-L1962 HydrophobicContact CE2-CG 4.3Å; F1958-L1962 HydrophobicContact CZ-CD1 3.84Å; F1958-L1962 HydrophobicContact CZ-CD2 4.28Å; F1958-L1962 HydrophobicContact CZ-CG 4.1Å; F1958-L1962 WeakPolarHBondContact O-CB 3.22Å; F1958-L1962 WeakPolarHBondContact O-CG 3.15Å; F1958-L1962 PolarHBondContact O-N 3.46Å; L1959-L1962 PolarHBondContact O-N 3.38Å; L1962-L1966 VanDerWaalsContact O-CB 3.24Å; L1962-L1966 WeakPolarHBondContact O-CB 3.41Å; L1962-L1966 PolarHBondContact O-N 3.47Å; L1962-L1973 HydrophobicContact CD2-CD2 3.96Å; L1962-L1991 HydrophobicContact CD1-CD2 3.62Å; L1962-L1994 HydrophobicContact CB-CD1 4.34Å; L1962-I1995 HydrophobicContact CD1-CD1 4.47Å; L1962-I1995 HydrophobicContact CD2-CG1 4.3Å |
| 1963 | L | 92.4 | Very high | 92.3 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 48% | 0.476 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.4 | -44 | 174.3 | -77.9 | 164 | 0 | 0 | 0 | 111.9 | L1959 R1960 I1961 L1965 L1966 H1967 L1994 | L1959-L1963 WeakPolarHBondContact O-CB 3.4Å; L1959-L1963 WeakPolarHBondContact O-CD1 3.4Å; L1959-L1963 VanDerWaalsContact O-CG 3.23Å; L1959-L1963 WeakPolarHBondContact O-CG 3.44Å; L1959-L1963 PolarHBondContact O-N 3.3Å; R1960-L1963 PolarHBondContact O-N 2.83Å; I1961-L1963 VanDerWaalsContact C-N 3.32Å; I1961-L1963 PolarHBondContact O-N 3.19Å; L1963-L1965 VanDerWaalsContact C-N 3.35Å; L1963-L1966 PolarHBondContact O-N 3.26Å; L1963-H1967 PolarHBondContact O-N 3.47Å; L1963-H1967 VanDerWaalsContact O-N 3.1Å; L1963-L1994 HydrophobicContact CD2-CD2 3.61Å; L1963-L1994 HydrophobicContact CG-CD2 4.14Å |
| 1964 | V | 91.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 37 Ų | 37 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61 | -44.9 | 173.3 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | I1911 R1960 I1961 L1966 H1967 D1968 | I1911-V1964 HydrophobicContact CD1-CG1 4.25Å; R1960-V1964 WeakPolarHBondContact O-CG2 3.3Å; R1960-V1964 PolarHBondContact O-N 2.97Å; I1961-V1964 PolarHBondContact O-N 2.59Å; V1964-L1966 PolarHBondContact O-N 3.31Å; V1964-H1967 PolarHBondContact O-N 3.42Å; V1964-D1968 WeakPolarHBondContact O-CB 3.34Å; V1964-D1968 PolarHBondContact O-N 2.72Å |
| 1965 | L | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -34.5 | 177.9 | -64.9 | 170.1 | 0 | 0 | 0 | 112.9 | I1911 L1915 Y1927 L1931 I1961 L1963 H1967 F1969 P1970 L1972 L1973 | I1911-L1965 HydrophobicContact CG2-CD2 4.16Å; L1915-L1965 HydrophobicContact CD1-CD2 3.51Å; Y1927-L1965 HydrophobicContact CE1-CD1 3.75Å; Y1927-L1965 HydrophobicContact CE1-CD2 4.14Å; L1931-L1965 HydrophobicContact CD1-CD1 4.01Å; L1931-L1965 HydrophobicContact CD2-CD1 4.02Å; I1961-L1965 HydrophobicContact CG2-CD1 3.77Å; I1961-L1965 HydrophobicContact CG2-CG 4.36Å; I1961-L1965 VanDerWaalsContact O-CG 3.22Å; I1961-L1965 WeakPolarHBondContact O-CG 3.25Å; I1961-L1965 PolarHBondContact O-N 3.11Å; L1963-L1965 VanDerWaalsContact C-N 3.35Å; L1965-H1967 VanDerWaalsContact C-N 3.32Å; L1965-F1969 HydrophobicContact CD2-CB 4.42Å; L1965-F1969 HydrophobicContact CD2-CD2 4.28Å; L1965-F1969 CarbonylContact O-C 3.58Å; L1965-F1969 VanDerWaalsContact O-CA 3.27Å; L1965-F1969 WeakPolarHBondContact O-CA 3.47Å; L1965-F1969 PolarHBondContact O-N 3.17Å; L1965-P1970 VanDerWaalsContact O-N 3.09Å; L1965-L1972 HydrophobicContact CD1-CD2 4.29Å; L1965-L1972 HydrophobicContact CD2-CD2 3.98Å; L1965-L1973 HydrophobicContact CB-CD1 4.28Å; L1965-L1973 HydrophobicContact CB-CD2 4.42Å; L1965-L1973 HydrophobicContact CB-CG 4.4Å |
| 1966 | L | 93.7 | Very high | 92.5 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.9 | -33.4 | 175 | 178.6 | 62.3 | 0 | 0 | 0 | 112.2 | L1962 L1963 V1964 P1970 L1973 L1994 A1998 P2181 | L1962-L1966 VanDerWaalsContact O-CB 3.24Å; L1962-L1966 WeakPolarHBondContact O-CB 3.41Å; L1962-L1966 PolarHBondContact O-N 3.47Å; L1963-L1966 PolarHBondContact O-N 3.26Å; V1964-L1966 PolarHBondContact O-N 3.31Å; L1966-P1970 WeakPolarHBondContact O-CB 3.29Å; L1966-L1973 HydrophobicContact CB-CD1 4.02Å; L1966-L1973 HydrophobicContact CD1-CD1 4.45Å; L1966-L1994 HydrophobicContact CD2-CD2 3.78Å; L1966-A1998 HydrophobicContact CD1-CB 3.76Å; L1966-P2181 HydrophobicContact CD2-CG 3.92Å |
| 1967 | H | 92.3 | Very high | 92.7 | Very high | 146 Ų | 146 | 34.1 Ų | 34.1 | 68% | 0.676 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -80.1 | -54.2 | 177.2 | -173.9 | -89.4 | 0 | 0 | 0 | 112.2 | L1963 V1964 L1965 | L1963-H1967 PolarHBondContact O-N 3.47Å; L1963-H1967 VanDerWaalsContact O-N 3.1Å; V1964-H1967 PolarHBondContact O-N 3.42Å; L1965-H1967 VanDerWaalsContact C-N 3.32Å |
| 1968 | D | 89.9 | Confident | 92.8 | Very high | 70 Ų | 70 | 33.7 Ų | 33.7 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -90.5 | -25.8 | -168.8 | -66.4 | -17.5 | 0 | 0 | 0 | 113.7 | V1964 R2001 | V1964-D1968 WeakPolarHBondContact O-CB 3.34Å; V1964-D1968 PolarHBondContact O-N 2.72Å; D1968-R2001 PolarHBondContact O-NH1 2.99Å; D1968-R2001 PolarHBondContact O-NH2 2.78Å |
| 1969 | F | 91.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | trans | -142.4 | 44.6 | -173.1 | -59.2 | -82.3 | 0 | 0 | 0 | 114.2 | I1911 L1915 A1916 F1924 L1965 E1971 L1972 | I1911-F1969 HydrophobicContact CG2-CD2 4.05Å; I1911-F1969 HydrophobicContact CG2-CE2 3.68Å; L1915-F1969 HydrophobicContact CB-CD1 3.68Å; L1915-F1969 HydrophobicContact CB-CD2 4.46Å; L1915-F1969 HydrophobicContact CB-CE1 3.49Å; L1915-F1969 VanDerWaalsContact CB-CE1 3.49Å; L1915-F1969 HydrophobicContact CB-CE2 4.32Å; L1915-F1969 HydrophobicContact CB-CG 4.18Å; L1915-F1969 HydrophobicContact CB-CZ 3.84Å; L1915-F1969 HydrophobicContact CD1-CB 4.05Å; L1915-F1969 HydrophobicContact CD1-CD1 4Å; L1915-F1969 HydrophobicContact CD1-CD2 3.61Å; L1915-F1969 HydrophobicContact CD1-CE1 4.38Å; L1915-F1969 HydrophobicContact CD1-CE2 4.04Å; L1915-F1969 HydrophobicContact CD1-CG 3.6Å; L1915-F1969 HydrophobicContact CD1-CZ 4.4Å; L1915-F1969 HydrophobicContact CG-CD1 4.48Å; A1916-F1969 HydrophobicContact CB-CE1 4.28Å; A1916-F1969 HydrophobicContact CB-CZ 4.49Å; F1924-F1969 HydrophobicContact CE1-CD1 4.47Å; L1965-F1969 HydrophobicContact CD2-CB 4.42Å; L1965-F1969 HydrophobicContact CD2-CD2 4.28Å; L1965-F1969 CarbonylContact O-C 3.58Å; L1965-F1969 VanDerWaalsContact O-CA 3.27Å; L1965-F1969 WeakPolarHBondContact O-CA 3.47Å; L1965-F1969 PolarHBondContact O-N 3.17Å; F1969-E1971 PolarHBondContact O-N 2.98Å; F1969-L1972 HydrophobicContact CB-CB 4.47Å; F1969-L1972 VanDerWaalsContact O-CB 3.29Å; F1969-L1972 WeakPolarHBondContact O-CB 3.33Å; F1969-L1972 PolarHBondContact O-N 2.91Å | ||
| 1970 | P | 93.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.1 | -26 | -174.2 | 22.8 | -34.5 | 0 | 0 | 0 | 113.8 | L1965 L1966 L1972 L1973 C1974 A1998 Y1999 R2001 | L1965-P1970 VanDerWaalsContact O-N 3.09Å; L1966-P1970 WeakPolarHBondContact O-CB 3.29Å; P1970-L1972 VanDerWaalsContact C-N 3.25Å; P1970-L1972 PolarHBondContact O-N 3.17Å; P1970-L1973 PolarHBondContact O-N 3.36Å; P1970-L1973 VanDerWaalsContact O-N 3.15Å; P1970-C1974 PolarHBondContact O-N 3.18Å; P1970-C1974 PolarHBondContact O-SG 3.35Å; P1970-A1998 HydrophobicContact CB-CB 4.32Å; P1970-Y1999 WeakPolarHBondContact CB-O 3.44Å; P1970-R2001 HydrophobicContact CG-CG 3.82Å |
| 1971 | E | 91.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.1 | -31.1 | 175.8 | -61.2 | 77.2 | -164.9 | 0 | 0 | 112.7 | F1924 F1969 C1974 D1975 P2000 R2001 | F1924-E1971 HydrophobicContact CE2-CB 3.96Å; F1969-E1971 PolarHBondContact O-N 2.98Å; E1971-C1974 WeakPolarHBondContact O-CB 3.24Å; E1971-C1974 PolarHBondContact O-N 3Å; E1971-D1975 WeakPolarHBondContact O-CB 3.35Å; E1971-D1975 PolarHBondContact O-N 2.96Å; E1971-P2000 HydrophobicContact CG-CB 4.45Å; E1971-R2001 WeakPolarHBondContact OE1-CB 3.19Å; E1971-R2001 WeakPolarHBondContact OE1-CG 3.23Å; E1971-R2001 IonicContact OE1-CZ 2.68Å; E1971-R2001 PolarHBondContact OE1-N 3.27Å; E1971-R2001 IonicContact OE1-NE 3.61Å; E1971-R2001 PolarHBondContact OE1-NE 2.91Å; E1971-R2001 IonicContact OE1-NH2 3.88Å; E1971-R2001 IonicContact OE2-CZ 3.21Å; E1971-R2001 IonicContact OE2-NE 2.62Å; E1971-R2001 PolarHBondContact OE2-NE 2.95Å; E1971-R2001 IonicContact OE2-NH2 3.57Å; E1971-R2001 PolarHBondContact OE2-NH2 3.13Å |
| 1972 | L | 92.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 172.5 | 173 | 68.2 | 0 | 0 | 0 | 110.8 | L1915 F1924 Y1927 A1928 L1931 L1965 F1969 P1970 C1974 Y1976 | L1915-L1972 HydrophobicContact CD1-CD2 4.12Å; L1915-L1972 HydrophobicContact CD2-CD2 4.14Å; F1924-L1972 HydrophobicContact CB-CD1 3.58Å; F1924-L1972 HydrophobicContact CD1-CD1 4.45Å; F1924-L1972 HydrophobicContact CD2-CB 4.1Å; F1924-L1972 HydrophobicContact CD2-CD1 4.21Å; F1924-L1972 HydrophobicContact CE2-CB 4.19Å; F1924-L1972 HydrophobicContact CG-CB 4.34Å; F1924-L1972 HydrophobicContact CG-CD1 3.85Å; F1924-L1972 WeakPolarHBondContact O-CD1 3.28Å; Y1927-L1972 HydrophobicContact CD1-CD2 3.9Å; Y1927-L1972 HydrophobicContact CE1-CD2 4.47Å; A1928-L1972 HydrophobicContact CB-CD1 4.43Å; L1931-L1972 HydrophobicContact CD1-CD2 4.13Å; L1965-L1972 HydrophobicContact CD1-CD2 4.29Å; L1965-L1972 HydrophobicContact CD2-CD2 3.98Å; F1969-L1972 HydrophobicContact CB-CB 4.47Å; F1969-L1972 VanDerWaalsContact O-CB 3.29Å; F1969-L1972 WeakPolarHBondContact O-CB 3.33Å; F1969-L1972 PolarHBondContact O-N 2.91Å; P1970-L1972 VanDerWaalsContact C-N 3.25Å; P1970-L1972 PolarHBondContact O-N 3.17Å; L1972-C1974 VanDerWaalsContact C-N 3.33Å; L1972-Y1976 HydrophobicContact CD1-CD2 4.04Å; L1972-Y1976 HydrophobicContact CD1-CE2 4.44Å; L1972-Y1976 WeakPolarHBondContact O-CD2 3.46Å; L1972-Y1976 PolarHBondContact O-N 3.49Å |
| 1973 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.9 | -35.9 | 179.6 | -57.8 | -175.9 | 0 | 0 | 0 | 110.8 | L1962 L1965 L1966 P1970 H1977 L1980 I1995 A1998 | L1962-L1973 HydrophobicContact CD2-CD2 3.96Å; L1965-L1973 HydrophobicContact CB-CD1 4.28Å; L1965-L1973 HydrophobicContact CB-CD2 4.42Å; L1965-L1973 HydrophobicContact CB-CG 4.4Å; L1966-L1973 HydrophobicContact CB-CD1 4.02Å; L1966-L1973 HydrophobicContact CD1-CD1 4.45Å; P1970-L1973 PolarHBondContact O-N 3.36Å; P1970-L1973 VanDerWaalsContact O-N 3.15Å; L1973-H1977 WeakPolarHBondContact O-CA 3.36Å; L1973-H1977 VanDerWaalsContact O-CB 3.29Å; L1973-H1977 WeakPolarHBondContact O-CB 3.26Å; L1973-H1977 PolarHBondContact O-N 2.87Å; L1973-L1980 HydrophobicContact CD2-CD1 4.2Å; L1973-I1995 HydrophobicContact CD2-CG1 4.48Å; L1973-A1998 HydrophobicContact CB-CB 3.61Å; L1973-A1998 HydrophobicContact CD1-CB 4.4Å |
| 1974 | C | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 174.5 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | P1970 E1971 L1972 H1977 A1998 Y1999 R2139 | P1970-C1974 PolarHBondContact O-N 3.18Å; P1970-C1974 PolarHBondContact O-SG 3.35Å; E1971-C1974 WeakPolarHBondContact O-CB 3.24Å; E1971-C1974 PolarHBondContact O-N 3Å; L1972-C1974 VanDerWaalsContact C-N 3.33Å; C1974-H1977 PolarHBondContact O-ND1 3.4Å; C1974-A1998 PolarHBondContact SG-O 2.92Å; C1974-A1998 VanDerWaalsContact SG-O 3.4Å; C1974-Y1999 WeakPolarHBondContact SG-CA 3.06Å; C1974-Y1999 PolarHBondContact SG-N 3.47Å; C1974-Y1999 VanDerWaalsContact SG-N 3.41Å; C1974-R2139 PolarHBondContact O-NH1 3.18Å |
| 1975 | D | 91.1 | Very high | 92 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.1 | -31.4 | -171.1 | -80.1 | 15.8 | 0 | 0 | 0 | 111.7 | E1971 R2026 S2028 | E1971-D1975 WeakPolarHBondContact O-CB 3.35Å; E1971-D1975 PolarHBondContact O-N 2.96Å; D1975-R2026 WeakPolarHBondContact OD1-CB 3.41Å; D1975-R2026 VanDerWaalsContact OD1-CD 3.23Å; D1975-R2026 WeakPolarHBondContact OD1-CD 3.33Å; D1975-R2026 WeakPolarHBondContact OD2-CD 3.45Å; D1975-R2026 IonicContact OD2-NH1 2.75Å; D1975-R2026 PolarHBondContact OD2-NH1 3.43Å; D1975-S2028 PolarHBondContact O-N 3.02Å |
| 1976 | Y | 92.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 24 Ų | 24 | 18% | 0.18 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -105 | -0.1 | -177.3 | -70.4 | -88.9 | 0 | 0 | 0 | 115.3 | F1924 G1925 A1928 L1972 F1978 A1979 L1980 V2029 | F1924-Y1976 HydrophobicContact CB-CE2 4.03Å; G1925-Y1976 VanDerWaalsContact CA-OH 3.25Å; G1925-Y1976 WeakPolarHBondContact CA-OH 3.37Å; A1928-Y1976 HydrophobicContact CB-CD1 3.62Å; A1928-Y1976 HydrophobicContact CB-CD2 4.14Å; A1928-Y1976 HydrophobicContact CB-CE1 3.94Å; A1928-Y1976 HydrophobicContact CB-CE2 4.43Å; A1928-Y1976 HydrophobicContact CB-CG 3.74Å; L1972-Y1976 HydrophobicContact CD1-CD2 4.04Å; L1972-Y1976 HydrophobicContact CD1-CE2 4.44Å; L1972-Y1976 WeakPolarHBondContact O-CD2 3.46Å; L1972-Y1976 PolarHBondContact O-N 3.49Å; Y1976-F1978 PolarHBondContact O-N 3.39Å; Y1976-A1979 PolarHBondContact O-N 2.92Å; Y1976-A1979 VanDerWaalsContact O-N 3.13Å; Y1976-L1980 PolarHBondContact O-N 3.39Å; Y1976-V2029 HydrophobicContact CD1-CG2 4.32Å |
| 1977 | H | 94.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -43.3 | -41.8 | -177 | 73.4 | -65.7 | 0 | 0 | 0 | 114.4 | L1973 C1974 L1980 C1981 I1995 R2139 | L1973-H1977 WeakPolarHBondContact O-CA 3.36Å; L1973-H1977 VanDerWaalsContact O-CB 3.29Å; L1973-H1977 WeakPolarHBondContact O-CB 3.26Å; L1973-H1977 PolarHBondContact O-N 2.87Å; C1974-H1977 PolarHBondContact O-ND1 3.4Å; H1977-L1980 PolarHBondContact O-N 3.37Å; H1977-C1981 VanDerWaalsContact O-CB 3.3Å; H1977-C1981 WeakPolarHBondContact O-CB 3.19Å; H1977-C1981 PolarHBondContact O-N 3.05Å; H1977-C1981 PolarHBondContact O-SG 2.87Å; H1977-I1995 HydrophobicContact CB-CG2 3.75Å; H1977-R2139 VanDerWaalsContact CE1-CZ 3.41Å; H1977-R2139 PolarHBondContact CE1-NH2 2.99Å; H1977-R2139 VanDerWaalsContact CG-CZ 3.48Å; H1977-R2139 VanDerWaalsContact CG-NH1 3.3Å; H1977-R2139 PolarHBondContact ND1-NH1 2.87Å; H1977-R2139 PolarHBondContact ND1-NH2 2.73Å |
| 1978 | F | 92.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -53.3 | -176.9 | 178.7 | -101.6 | 0 | 0 | 0 | 112.2 | Y1976 L1980 C1981 D1982 V2027 V2029 V2031 N2080 I2084 | Y1976-F1978 PolarHBondContact O-N 3.39Å; F1978-L1980 VanDerWaalsContact C-N 3.34Å; F1978-L1980 PolarHBondContact O-N 3.42Å; F1978-C1981 PolarHBondContact O-N 3.11Å; F1978-D1982 PolarHBondContact O-N 3.13Å; F1978-V2027 HydrophobicContact CB-CG1 4.25Å; F1978-V2029 HydrophobicContact CD1-CB 4.16Å; F1978-V2029 HydrophobicContact CD1-CG1 3.98Å; F1978-V2029 HydrophobicContact CE1-CG1 4.41Å; F1978-V2031 HydrophobicContact CE1-CG2 4.43Å; F1978-N2080 HydrophobicContact CE2-CB 4.21Å; F1978-I2084 HydrophobicContact CD2-CD1 3.94Å; F1978-I2084 HydrophobicContact CD2-CG2 4.14Å; F1978-I2084 HydrophobicContact CE2-CB 4.38Å; F1978-I2084 HydrophobicContact CE2-CD1 4.45Å; F1978-I2084 HydrophobicContact CE2-CG2 3.59Å; F1978-I2084 HydrophobicContact CZ-CG2 4.15Å |
| 1979 | A | 90.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 16.6 Ų | 16.6 | 12% | 0.116 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.5 | -34.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1932 Y1976 L1983 V2029 | M1932-A1979 HydrophobicContact SD-CB 3.84Å; Y1976-A1979 PolarHBondContact O-N 2.92Å; Y1976-A1979 VanDerWaalsContact O-N 3.13Å; A1979-L1983 WeakPolarHBondContact O-CG 3.25Å; A1979-L1983 PolarHBondContact O-N 3.11Å; A1979-V2029 HydrophobicContact CB-CG2 3.83Å |
| 1980 | L | 93.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.6 | -43.1 | 176.2 | -57.3 | 173 | 0 | 0 | 0 | 111.1 | L1931 M1932 I1935 L1973 Y1976 H1977 F1978 L1983 I1984 I1995 | L1931-L1980 HydrophobicContact CB-CD2 3.98Å; M1932-L1980 HydrophobicContact CG-CD2 4.13Å; I1935-L1980 HydrophobicContact CD1-CB 4.26Å; I1935-L1980 HydrophobicContact CD1-CD2 3.65Å; L1973-L1980 HydrophobicContact CD2-CD1 4.2Å; Y1976-L1980 PolarHBondContact O-N 3.39Å; H1977-L1980 PolarHBondContact O-N 3.37Å; F1978-L1980 VanDerWaalsContact C-N 3.34Å; F1978-L1980 PolarHBondContact O-N 3.42Å; L1980-L1983 PolarHBondContact O-N 3.22Å; L1980-I1984 WeakPolarHBondContact O-CD1 3.14Å; L1980-I1984 VanDerWaalsContact O-CG1 3.24Å; L1980-I1984 WeakPolarHBondContact O-CG1 3.3Å; L1980-I1984 PolarHBondContact O-N 3.45Å; L1980-I1995 HydrophobicContact CB-CD1 3.88Å; L1980-I1995 HydrophobicContact CB-CG2 4.38Å; L1980-I1995 HydrophobicContact CD1-CD1 4.2Å; L1980-I1995 HydrophobicContact CD1-CG1 4.33Å; L1980-I1995 HydrophobicContact CD1-CG2 4.18Å |
| 1981 | C | 92 | Very high | 91.2 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.02 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.5 | -27.2 | 178.4 | -69.9 | 0 | 0 | 0 | 0 | 114.2 | H1977 F1978 L1983 R1992 | H1977-C1981 VanDerWaalsContact O-CB 3.3Å; H1977-C1981 WeakPolarHBondContact O-CB 3.19Å; H1977-C1981 PolarHBondContact O-N 3.05Å; H1977-C1981 PolarHBondContact O-SG 2.87Å; F1978-C1981 PolarHBondContact O-N 3.11Å; C1981-L1983 VanDerWaalsContact C-N 3.31Å; C1981-R1992 PolarHBondContact O-NH2 3.39Å |
| 1982 | D | 89.8 | Confident | 91.3 | Very high | 32 Ų | 32 | 16.2 Ų | 16.2 | 17% | 0.171 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 170.9 | -104.4 | 22.8 | 0 | 0 | 0 | 112.1 | F1978 P2077 N2080 | F1978-D1982 PolarHBondContact O-N 3.13Å; D1982-P2077 WeakPolarHBondContact OD2-CB 3.4Å; D1982-N2080 WeakPolarHBondContact OD1-CB 3.31Å; D1982-N2080 PolarHBondContact OD1-ND2 3.13Å |
| 1983 | L | 89.8 | Confident | 91.4 | Very high | 44 Ų | 44 | 16.2 Ų | 16.2 | 23% | 0.23 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -87.5 | -30.9 | -176.5 | -62.5 | 172 | 0 | 0 | 0 | 113 | M1932 I1935 Q1936 A1979 L1980 C1981 P1985 | M1932-L1983 HydrophobicContact CB-CD1 3.67Å; M1932-L1983 HydrophobicContact CG-CD1 3.56Å; M1932-L1983 HydrophobicContact SD-CD1 4.04Å; I1935-L1983 HydrophobicContact CB-CB 4.25Å; I1935-L1983 HydrophobicContact CG2-CB 3.46Å; I1935-L1983 VanDerWaalsContact CG2-CB 3.46Å; Q1936-L1983 HydrophobicContact CG-CD1 4.09Å; Q1936-L1983 HydrophobicContact CG-CD2 3.8Å; Q1936-L1983 HydrophobicContact CG-CG 4.46Å; A1979-L1983 WeakPolarHBondContact O-CG 3.25Å; A1979-L1983 PolarHBondContact O-N 3.11Å; L1980-L1983 PolarHBondContact O-N 3.22Å; C1981-L1983 VanDerWaalsContact C-N 3.31Å; L1983-P1985 WeakPolarHBondContact O-CD 3.29Å |
| 1984 | I | 91.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -76.9 | 121.5 | 179 | -66.7 | 164.3 | 0 | 0 | 0 | 110.7 | I1935 L1980 C1988 L1991 R1992 I1995 | I1935-I1984 HydrophobicContact CD1-CD1 4.06Å; I1935-I1984 HydrophobicContact CD1-CG1 4.01Å; I1935-I1984 HydrophobicContact CG1-CG1 4.18Å; I1935-I1984 HydrophobicContact CG2-CG1 3.65Å; L1980-I1984 WeakPolarHBondContact O-CD1 3.14Å; L1980-I1984 VanDerWaalsContact O-CG1 3.24Å; L1980-I1984 WeakPolarHBondContact O-CG1 3.3Å; L1980-I1984 PolarHBondContact O-N 3.45Å; I1984-C1988 HydrophobicContact CG2-CB 3.58Å; I1984-L1991 HydrophobicContact CD1-CB 4.33Å; I1984-L1991 HydrophobicContact CG2-CB 4.07Å; I1984-L1991 HydrophobicContact CG2-CD1 4.44Å; I1984-R1992 HydrophobicContact CB-CG 4.32Å; I1984-R1992 HydrophobicContact CG2-CG 3.7Å; I1984-R1992 PolarHBondContact O-NE 2.8Å; I1984-R1992 VanDerWaalsContact O-NE 3.12Å; I1984-R1992 PolarHBondContact O-NH2 3Å; I1984-I1995 HydrophobicContact CD1-CD1 3.27Å |
| 1985 | P | 89.3 | Confident | 91.6 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 6% | 0.058 | 9% | 0.087 | C | C | . | . | trans | -55 | 150.3 | 176.6 | -29.4 | 38.7 | 0 | 0 | 0 | 114.5 | A1939 L1942 R1943 L1983 N1987 C1988 R1992 | A1939-P1985 HydrophobicContact CB-CG 4.33Å; A1939-P1985 WeakPolarHBondContact O-CG 3.44Å; L1942-P1985 HydrophobicContact CB-CG 4.04Å; R1943-P1985 HydrophobicContact CB-CB 4.22Å; R1943-P1985 HydrophobicContact CB-CG 4.03Å; L1983-P1985 WeakPolarHBondContact O-CD 3.29Å; P1985-N1987 VanDerWaalsContact C-N 3.33Å; P1985-N1987 WeakPolarHBondContact CB-OD1 3.36Å; P1985-N1987 PolarHBondContact O-N 2.86Å; P1985-C1988 WeakPolarHBondContact O-CB 3.48Å; P1985-C1988 PolarHBondContact O-N 2.92Å; P1985-R1992 PolarHBondContact O-NE 3.2Å | ||
| 1986 | A | 87.7 | Confident | 91.7 | Very high | 16 Ų | 16 | 15.8 Ų | 15.8 | 13% | 0.132 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -33.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1988 Y2128 L2129 | A1986-C1988 PolarHBondContact O-N 3.08Å; A1986-Y2128 HydrophobicContact CB-CE1 3.94Å; A1986-L2129 HydrophobicContact CB-CD2 4.47Å |
| 1987 | N | 87 | Confident | 91.8 | Very high | 65 Ų | 65 | 14.4 Ų | 14.4 | 35% | 0.348 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.1 | 174.2 | 62.5 | -38.8 | 0 | 0 | 0 | 113.9 | L1942 L1945 P1985 V1989 | L1942-N1987 PolarHBondContact O-ND2 2.98Å; L1945-N1987 WeakPolarHBondContact CD2-ND2 3.04Å; P1985-N1987 VanDerWaalsContact C-N 3.33Å; P1985-N1987 WeakPolarHBondContact CB-OD1 3.36Å; P1985-N1987 PolarHBondContact O-N 2.86Å; N1987-V1989 PolarHBondContact O-N 2.9Å |
| 1988 | C | 89.3 | Confident | 91.8 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 4% | 0.041 | 8% | 0.081 | C | C | . | . | trans | -85.2 | 56.8 | -179 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | I1984 P1985 A1986 Q1990 L1991 R1992 | I1984-C1988 HydrophobicContact CG2-CB 3.58Å; P1985-C1988 WeakPolarHBondContact O-CB 3.48Å; P1985-C1988 PolarHBondContact O-N 2.92Å; A1986-C1988 PolarHBondContact O-N 3.08Å; C1988-Q1990 PolarHBondContact O-N 3.1Å; C1988-L1991 HydrophobicContact CB-CB 4.31Å; C1988-L1991 HydrophobicContact CB-CD1 4.21Å; C1988-L1991 PolarHBondContact O-N 3.41Å; C1988-R1992 PolarHBondContact O-N 2.93Å; C1988-R1992 VanDerWaalsContact O-N 3.1Å | ||
| 1989 | V | 91.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 15% | 0.152 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -51.8 | -52.2 | -171 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | N1987 L1991 R1992 N1993 E2174 R2175 | N1987-V1989 PolarHBondContact O-N 2.9Å; V1989-L1991 PolarHBondContact O-N 3.19Å; V1989-R1992 PolarHBondContact O-N 3.37Å; V1989-N1993 WeakPolarHBondContact O-CB 3.37Å; V1989-N1993 PolarHBondContact O-N 2.75Å; V1989-E2174 WeakPolarHBondContact CG1-O 3.49Å; V1989-E2174 HydrophobicContact CG2-CG 4.45Å; V1989-R2175 HydrophobicContact CG1-CB 4.35Å; V1989-R2175 HydrophobicContact CG1-CG 3.99Å |
| 1990 | Q | 90.9 | Very high | 91.8 | Very high | 50 Ų | 50 | 18.9 Ų | 18.9 | 23% | 0.234 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | -177 | -166.8 | -175.5 | 11.8 | 0 | 0 | 112.8 | C1988 N1993 L1994 | C1988-Q1990 PolarHBondContact O-N 3.1Å; Q1990-N1993 PolarHBondContact O-N 3.04Å; Q1990-L1994 WeakPolarHBondContact O-CG 3.42Å; Q1990-L1994 PolarHBondContact O-N 2.96Å |
| 1991 | L | 91.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.4 | -77.1 | 179.6 | 0 | 0 | 0 | 111.3 | L1942 Y1955 F1958 L1959 L1962 I1984 C1988 V1989 | L1942-L1991 HydrophobicContact CD1-CD1 4.01Å; Y1955-L1991 HydrophobicContact CD2-CD1 3.71Å; Y1955-L1991 HydrophobicContact CD2-CG 4.28Å; Y1955-L1991 HydrophobicContact CE2-CD1 3.48Å; Y1955-L1991 VanDerWaalsContact CE2-CD1 3.48Å; Y1955-L1991 HydrophobicContact CE2-CD2 4.36Å; Y1955-L1991 HydrophobicContact CE2-CG 3.76Å; F1958-L1991 HydrophobicContact CD1-CD1 4.47Å; F1958-L1991 HydrophobicContact CD1-CD2 3.77Å; F1958-L1991 HydrophobicContact CE1-CD1 4.47Å; F1958-L1991 HydrophobicContact CE1-CD2 3.96Å; L1959-L1991 HydrophobicContact CD2-CD2 3.59Å; L1959-L1991 HydrophobicContact CD2-CG 4.36Å; L1959-L1991 HydrophobicContact CG-CD2 4.05Å; L1962-L1991 HydrophobicContact CD1-CD2 3.62Å; I1984-L1991 HydrophobicContact CD1-CB 4.33Å; I1984-L1991 HydrophobicContact CG2-CB 4.07Å; I1984-L1991 HydrophobicContact CG2-CD1 4.44Å; C1988-L1991 HydrophobicContact CB-CB 4.31Å; C1988-L1991 HydrophobicContact CB-CD1 4.21Å; C1988-L1991 PolarHBondContact O-N 3.41Å; V1989-L1991 PolarHBondContact O-N 3.19Å |
| 1992 | R | 94.3 | Very high | 91.1 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -49.8 | 174.7 | -70.9 | -177.6 | 162.6 | -152.8 | -11.2 | 110.3 | C1981 I1984 P1985 C1988 V1989 L1994 I1995 I1996 N2132 | C1981-R1992 PolarHBondContact O-NH2 3.39Å; I1984-R1992 HydrophobicContact CB-CG 4.32Å; I1984-R1992 HydrophobicContact CG2-CG 3.7Å; I1984-R1992 PolarHBondContact O-NE 2.8Å; I1984-R1992 VanDerWaalsContact O-NE 3.12Å; I1984-R1992 PolarHBondContact O-NH2 3Å; P1985-R1992 PolarHBondContact O-NE 3.2Å; C1988-R1992 PolarHBondContact O-N 2.93Å; C1988-R1992 VanDerWaalsContact O-N 3.1Å; V1989-R1992 PolarHBondContact O-N 3.37Å; R1992-L1994 PolarHBondContact O-N 3.33Å; R1992-I1995 PolarHBondContact O-N 3.5Å; R1992-I1996 VanDerWaalsContact O-CG1 3.26Å; R1992-I1996 WeakPolarHBondContact O-CG1 3.15Å; R1992-I1996 PolarHBondContact O-N 3.24Å; R1992-N2132 PolarHBondContact NH1-OD1 3.01Å |
| 1993 | N | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -39.3 | -178.5 | -82.8 | 2.4 | 0 | 0 | 0 | 113.3 | V1989 Q1990 I1995 I1996 S1997 R2175 S2178 | V1989-N1993 WeakPolarHBondContact O-CB 3.37Å; V1989-N1993 PolarHBondContact O-N 2.75Å; Q1990-N1993 PolarHBondContact O-N 3.04Å; N1993-I1995 VanDerWaalsContact C-N 3.29Å; N1993-I1995 PolarHBondContact O-N 2.94Å; N1993-I1996 PolarHBondContact O-N 3.06Å; N1993-S1997 WeakPolarHBondContact O-CB 3.36Å; N1993-S1997 PolarHBondContact O-N 3.44Å; N1993-S1997 PolarHBondContact O-OG 2.85Å; N1993-R2175 PolarHBondContact ND2-O 2.86Å; N1993-S2178 PolarHBondContact ND2-OG 2.75Å |
| 1994 | L | 94.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -42.5 | 173.2 | -78.8 | 163.9 | 0 | 0 | 0 | 112.4 | L1959 L1962 L1963 L1966 Q1990 R1992 P2181 | L1959-L1994 HydrophobicContact CD2-CD1 3.35Å; L1962-L1994 HydrophobicContact CB-CD1 4.34Å; L1963-L1994 HydrophobicContact CD2-CD2 3.61Å; L1963-L1994 HydrophobicContact CG-CD2 4.14Å; L1966-L1994 HydrophobicContact CD2-CD2 3.78Å; Q1990-L1994 WeakPolarHBondContact O-CG 3.42Å; Q1990-L1994 PolarHBondContact O-N 2.96Å; R1992-L1994 PolarHBondContact O-N 3.33Å; L1994-P2181 HydrophobicContact CD2-CG 3.92Å; L1994-P2181 HydrophobicContact CG-CG 4.48Å |
| 1995 | I | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.7 | -45.5 | -178.8 | -68.3 | 157.5 | 0 | 0 | 0 | 111.5 | L1962 L1973 H1977 L1980 I1984 R1992 N1993 S1997 A1998 | L1962-I1995 HydrophobicContact CD1-CD1 4.47Å; L1962-I1995 HydrophobicContact CD2-CG1 4.3Å; L1973-I1995 HydrophobicContact CD2-CG1 4.48Å; H1977-I1995 HydrophobicContact CB-CG2 3.75Å; L1980-I1995 HydrophobicContact CB-CD1 3.88Å; L1980-I1995 HydrophobicContact CB-CG2 4.38Å; L1980-I1995 HydrophobicContact CD1-CD1 4.2Å; L1980-I1995 HydrophobicContact CD1-CG1 4.33Å; L1980-I1995 HydrophobicContact CD1-CG2 4.18Å; I1984-I1995 HydrophobicContact CD1-CD1 3.27Å; R1992-I1995 PolarHBondContact O-N 3.5Å; N1993-I1995 VanDerWaalsContact C-N 3.29Å; N1993-I1995 PolarHBondContact O-N 2.94Å; I1995-S1997 VanDerWaalsContact C-N 3.34Å; I1995-A1998 WeakPolarHBondContact O-CB 3.13Å; I1995-A1998 PolarHBondContact O-N 3.49Å |
| 1996 | I | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -82.1 | -9.1 | -177.4 | 62.3 | 150.7 | 0 | 0 | 0 | 114.2 | R1992 N1993 R2139 R2175 P2183 | R1992-I1996 VanDerWaalsContact O-CG1 3.26Å; R1992-I1996 WeakPolarHBondContact O-CG1 3.15Å; R1992-I1996 PolarHBondContact O-N 3.24Å; N1993-I1996 PolarHBondContact O-N 3.06Å; I1996-R2139 HydrophobicContact CB-CG 4.05Å; I1996-R2139 HydrophobicContact CG2-CG 4.41Å; I1996-R2175 VanDerWaalsContact CD1-NH1 3.26Å; I1996-P2183 HydrophobicContact CB-CG 4.47Å; I1996-P2183 HydrophobicContact CD1-CB 4.28Å; I1996-P2183 HydrophobicContact CD1-CG 3.48Å; I1996-P2183 VanDerWaalsContact CD1-CG 3.48Å; I1996-P2183 HydrophobicContact CG1-CG 3.64Å |
| 1997 | S | 94.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -8.1 | 166.5 | -53.6 | 0 | 0 | 0 | 0 | 113.5 | N1993 I1995 Y1999 H2182 P2183 | N1993-S1997 WeakPolarHBondContact O-CB 3.36Å; N1993-S1997 PolarHBondContact O-N 3.44Å; N1993-S1997 PolarHBondContact O-OG 2.85Å; I1995-S1997 VanDerWaalsContact C-N 3.34Å; S1997-Y1999 WeakPolarHBondContact O-CD1 3.32Å; S1997-H2182 VanDerWaalsContact OG-C 3.25Å; S1997-P2183 WeakPolarHBondContact OG-CD 3.39Å |
| 1998 | A | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -66.6 | 139.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1966 P1970 L1973 C1974 I1995 | L1966-A1998 HydrophobicContact CD1-CB 3.76Å; P1970-A1998 HydrophobicContact CB-CB 4.32Å; L1973-A1998 HydrophobicContact CB-CB 3.61Å; L1973-A1998 HydrophobicContact CD1-CB 4.4Å; C1974-A1998 PolarHBondContact SG-O 2.92Å; C1974-A1998 VanDerWaalsContact SG-O 3.4Å; I1995-A1998 WeakPolarHBondContact O-CB 3.13Å; I1995-A1998 PolarHBondContact O-N 3.49Å | ||
| 1999 | Y | 92.7 | Very high | 89.2 | Confident | 94 Ų | 94 | 47.9 Ų | 47.9 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | trans | -140 | 148.9 | 176.5 | 61 | -86 | 0 | 0 | 0 | 111.2 | P1970 C1974 S1997 R2001 L2005 | P1970-Y1999 WeakPolarHBondContact CB-O 3.44Å; C1974-Y1999 WeakPolarHBondContact SG-CA 3.06Å; C1974-Y1999 PolarHBondContact SG-N 3.47Å; C1974-Y1999 VanDerWaalsContact SG-N 3.41Å; S1997-Y1999 WeakPolarHBondContact O-CD1 3.32Å; Y1999-R2001 PolarHBondContact O-N 3.5Å; Y1999-L2005 HydrophobicContact CD1-CD1 4.1Å; Y1999-L2005 HydrophobicContact CD1-CD2 4.44Å; Y1999-L2005 HydrophobicContact CD2-CD2 4.31Å; Y1999-L2005 HydrophobicContact CD2-CG 4.4Å; Y1999-L2005 HydrophobicContact CE1-CD1 3.81Å; Y1999-L2005 HydrophobicContact CE1-CG 4.41Å; Y1999-L2005 HydrophobicContact CE2-CG 4.27Å; Y1999-L2005 HydrophobicContact CG-CD2 4.2Å | ||
| 2000 | P | 90.3 | Very high | 88.7 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | trans | -60.9 | 134.4 | 174.6 | -21 | 32.3 | 0 | 0 | 0 | 111 | E1971 T2002 I2003 Y2140 | E1971-P2000 HydrophobicContact CG-CB 4.45Å; P2000-T2002 PolarHBondContact O-N 3.34Å; P2000-I2003 HydrophobicContact CB-CG1 4.5Å; P2000-I2003 HydrophobicContact CG-CD1 4.19Å; P2000-I2003 PolarHBondContact O-N 3.48Å; P2000-Y2140 HydrophobicContact CG-CE1 4.42Å; P2000-Y2140 HydrophobicContact CG-CE2 4.43Å | ||
| 2001 | R | 87.8 | Confident | 88.2 | Confident | 139 Ų | 139 | 49.8 Ų | 49.8 | 53% | 0.525 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.5 | -176.1 | -74.3 | 173 | -79.9 | -160.6 | -6.8 | 115.1 | D1968 P1970 E1971 Y1999 I2003 | D1968-R2001 PolarHBondContact O-NH1 2.99Å; D1968-R2001 PolarHBondContact O-NH2 2.78Å; P1970-R2001 HydrophobicContact CG-CG 3.82Å; E1971-R2001 WeakPolarHBondContact OE1-CB 3.19Å; E1971-R2001 WeakPolarHBondContact OE1-CG 3.23Å; E1971-R2001 IonicContact OE1-CZ 2.68Å; E1971-R2001 PolarHBondContact OE1-N 3.27Å; E1971-R2001 IonicContact OE1-NE 3.61Å; E1971-R2001 PolarHBondContact OE1-NE 2.91Å; E1971-R2001 IonicContact OE1-NH2 3.88Å; E1971-R2001 IonicContact OE2-CZ 3.21Å; E1971-R2001 IonicContact OE2-NE 2.62Å; E1971-R2001 PolarHBondContact OE2-NE 2.95Å; E1971-R2001 IonicContact OE2-NH2 3.57Å; E1971-R2001 PolarHBondContact OE2-NH2 3.13Å; Y1999-R2001 PolarHBondContact O-N 3.5Å; R2001-I2003 VanDerWaalsContact C-N 3.34Å |
| 2002 | T | 83.9 | Confident | 87.6 | Confident | 135 Ų | 135 | 50.2 Ų | 50.2 | 83% | 0.828 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.7 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | P2000 | P2000-T2002 PolarHBondContact O-N 3.34Š|
| 2003 | I | 84.3 | Confident | 86.8 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 119.1 | -179.4 | -60.7 | -177.9 | 0 | 0 | 0 | 109.8 | P2000 R2001 Y2140 P2141 | P2000-I2003 HydrophobicContact CB-CG1 4.5Å; P2000-I2003 HydrophobicContact CG-CD1 4.19Å; P2000-I2003 PolarHBondContact O-N 3.48Å; R2001-I2003 VanDerWaalsContact C-N 3.34Å; I2003-Y2140 HydrophobicContact CD1-CD2 3.6Å; I2003-Y2140 HydrophobicContact CD1-CE2 3.49Å; I2003-Y2140 VanDerWaalsContact CD1-CE2 3.49Å; I2003-P2141 HydrophobicContact CG2-CB 4.46Å; I2003-P2141 HydrophobicContact CG2-CG 4.37Å |
| 2004 | R | 82.6 | Confident | 86.2 | Confident | 236 Ų | 236 | 59.4 Ų | 59.4 | 89% | 0.891 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 121.8 | 166 | -171.4 | 177 | -175.4 | 179.8 | 1 | 108.7 | P2006 | R2004-P2006 WeakPolarHBondContact O-CD 3.18Š|
| 2005 | L | 86.7 | Confident | 85.5 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 129.5 | 178.6 | -60 | 179.6 | 0 | 0 | 0 | 110.6 | Y1999 P2141 W2184 | Y1999-L2005 HydrophobicContact CD1-CD1 4.1Å; Y1999-L2005 HydrophobicContact CD1-CD2 4.44Å; Y1999-L2005 HydrophobicContact CD2-CD2 4.31Å; Y1999-L2005 HydrophobicContact CD2-CG 4.4Å; Y1999-L2005 HydrophobicContact CE1-CD1 3.81Å; Y1999-L2005 HydrophobicContact CE1-CG 4.41Å; Y1999-L2005 HydrophobicContact CE2-CG 4.27Å; Y1999-L2005 HydrophobicContact CG-CD2 4.2Å; L2005-P2141 VanDerWaalsContact CD2-CD 3.44Å; L2005-P2141 HydrophobicContact CD2-CG 4.17Å; L2005-W2184 HydrophobicContact CD2-CB 4.34Å; L2005-W2184 HydrophobicContact CD2-CG 4.36Å |
| 2006 | P | 83.5 | Confident | 84.8 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 164.2 | 166.5 | -17.5 | 30.2 | 0 | 0 | 0 | 111.7 | R2004 P2008 L2010 L2015 L2018 P2141 W2184 | R2004-P2006 WeakPolarHBondContact O-CD 3.18Å; P2006-P2008 WeakPolarHBondContact O-CD 3.42Å; P2006-L2010 HydrophobicContact CB-CD1 4.43Å; P2006-L2015 HydrophobicContact CB-CD2 4.03Å; P2006-L2015 HydrophobicContact CG-CD2 4.49Å; P2006-L2018 HydrophobicContact CB-CD1 4.19Å; P2006-L2018 HydrophobicContact CG-CD1 3.58Å; P2006-P2141 HydrophobicContact CG-CG 4.12Å; P2006-W2184 HydrophobicContact CB-CZ2 4.24Å; P2006-W2184 HydrophobicContact CG-CZ2 4.17Å; P2006-W2184 PolarHBondContact O-NE1 2.95Å |
| 2007 | D | 81.7 | Confident | 84.1 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 43% | 0.428 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 122.2 | 166.6 | 170.4 | 20 | 0 | 0 | 0 | 110.8 | F2009 L2010 | D2007-F2009 PolarHBondContact O-N 3.4Å; D2007-F2009 WeakPolarHBondContact OD1-CB 3.49Å; D2007-F2009 WeakPolarHBondContact OD1-CD2 3.35Å; D2007-F2009 PolarHBondContact OD1-N 3.06Å; D2007-L2010 HydrophobicContact CB-CD1 4.16Å; D2007-L2010 HydrophobicContact CB-CG 4.07Å; D2007-L2010 WeakPolarHBondContact O-CB 3.48Å; D2007-L2010 WeakPolarHBondContact O-CG 3.32Å; D2007-L2010 PolarHBondContact O-N 3.01Å |
| 2008 | P | 82.5 | Confident | 83.5 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 14% | 0.143 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.1 | 177.5 | 32 | -36.7 | 0 | 0 | 0 | 113.8 | P2006 L2010 M2187 M2188 I2191 | P2006-P2008 WeakPolarHBondContact O-CD 3.42Å; P2008-L2010 VanDerWaalsContact C-N 3.31Å; P2008-M2187 HydrophobicContact CB-CB 4.16Å; P2008-M2187 HydrophobicContact CG-CE 4.5Å; P2008-M2188 HydrophobicContact CB-CB 4.47Å; P2008-I2191 HydrophobicContact CB-CD1 4.18Å; P2008-I2191 HydrophobicContact CG-CD1 4.49Å; P2008-I2191 WeakPolarHBondContact O-CD1 3.39Å |
| 2009 | F | 82.5 | Confident | 82.9 | Confident | 53 Ų | 53 | 76 Ų | 76 | 23% | 0.232 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.1 | 172.7 | -67.6 | -79.1 | 0 | 0 | 0 | 114.1 | D2007 I2191 I2224 R2225 | D2007-F2009 PolarHBondContact O-N 3.4Å; D2007-F2009 WeakPolarHBondContact OD1-CB 3.49Å; D2007-F2009 WeakPolarHBondContact OD1-CD2 3.35Å; D2007-F2009 PolarHBondContact OD1-N 3.06Å; F2009-I2191 HydrophobicContact CD1-CD1 3.72Å; F2009-I2191 HydrophobicContact CD1-CG1 4.19Å; F2009-I2191 HydrophobicContact CD1-CG2 3.89Å; F2009-I2191 HydrophobicContact CD2-CD1 4.49Å; F2009-I2191 HydrophobicContact CE1-CD1 3.62Å; F2009-I2191 HydrophobicContact CE1-CG1 3.97Å; F2009-I2191 HydrophobicContact CE1-CG2 4.41Å; F2009-I2191 HydrophobicContact CE2-CD1 4.4Å; F2009-I2191 HydrophobicContact CG-CD1 4.16Å; F2009-I2191 HydrophobicContact CZ-CD1 3.97Å; F2009-I2224 HydrophobicContact CE2-CG2 4.26Å; F2009-I2224 HydrophobicContact CZ-CB 4.4Å; F2009-I2224 HydrophobicContact CZ-CG2 3.8Å; F2009-R2225 HydrophobicContact CE1-CG 3.7Å; F2009-R2225 HydrophobicContact CE2-CG 4.03Å; F2009-R2225 HydrophobicContact CZ-CB 4.15Å; F2009-R2225 HydrophobicContact CZ-CG 3.33Å |
| 2010 | L | 81.4 | Confident | 82.5 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -68.2 | 128.4 | 172.1 | -68.6 | 170.7 | 0 | 0 | 0 | 110.8 | P2006 D2007 P2008 K2014 L2015 | P2006-L2010 HydrophobicContact CB-CD1 4.43Å; D2007-L2010 HydrophobicContact CB-CD1 4.16Å; D2007-L2010 HydrophobicContact CB-CG 4.07Å; D2007-L2010 WeakPolarHBondContact O-CB 3.48Å; D2007-L2010 WeakPolarHBondContact O-CG 3.32Å; D2007-L2010 PolarHBondContact O-N 3.01Å; P2008-L2010 VanDerWaalsContact C-N 3.31Å; L2010-K2014 HydrophobicContact CD2-CD 4.17Å; L2010-L2015 HydrophobicContact CB-CD1 4.37Å; L2010-L2015 HydrophobicContact CB-CD2 3.85Å; L2010-L2015 HydrophobicContact CB-CG 3.92Å; L2010-L2015 HydrophobicContact CD1-CD2 3.96Å; L2010-L2015 VanDerWaalsContact O-CD1 3.24Å; L2010-L2015 WeakPolarHBondContact O-CD1 3.08Å |
| 2011 | P | 79.5 | Confident | 82.3 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 38% | 0.377 | 37% | 0.366 | S | S | . | . | trans | -55.6 | 147 | 175.4 | -26.9 | 34.5 | 0 | 0 | 0 | 112.7 | S2013 K2014 L2015 | P2011-S2013 PolarHBondContact O-N 3.31Å; P2011-S2013 VanDerWaalsContact O-N 3.11Å; P2011-K2014 WeakPolarHBondContact O-CB 3.5Å; P2011-K2014 PolarHBondContact O-N 3.34Å; P2011-L2015 PolarHBondContact O-N 3.13Å | ||
| 2012 | I | 80.5 | Confident | 82 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.5 | -37.1 | -176 | -68.5 | -174.8 | 0 | 0 | 0 | 111.8 | K2014 L2015 E2016 L2146 L2153 M2188 E2192 | I2012-K2014 PolarHBondContact O-N 2.9Å; I2012-K2014 VanDerWaalsContact O-N 3.13Å; I2012-L2015 CarbonylContact O-C 3.5Å; I2012-L2015 PolarHBondContact O-N 3.27Å; I2012-E2016 HydrophobicContact CG2-CG 3.98Å; I2012-E2016 WeakPolarHBondContact O-CB 3.47Å; I2012-E2016 WeakPolarHBondContact O-CG 3.38Å; I2012-E2016 PolarHBondContact O-N 2.96Å; I2012-L2146 HydrophobicContact CG2-CD1 4.01Å; I2012-L2153 HydrophobicContact CD1-CD1 3.6Å; I2012-M2188 HydrophobicContact CD1-SD 3.53Å; I2012-M2188 VanDerWaalsContact CD1-SD 3.53Å; I2012-M2188 HydrophobicContact CG1-CG 4.4Å; I2012-M2188 HydrophobicContact CG1-SD 3.6Å; I2012-E2192 HydrophobicContact CD1-CB 3.95Å; I2012-E2192 HydrophobicContact CD1-CG 3.7Å; I2012-E2192 HydrophobicContact CG1-CB 4.13Å; I2012-E2192 HydrophobicContact CG1-CG 3.94Å; I2012-E2192 WeakPolarHBondContact CG1-OE2 3.19Å; I2012-E2192 PolarHBondContact N-OE2 3Å |
| 2013 | S | 78.1 | Confident | 82.1 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -14.5 | 176.8 | 63.7 | 0 | 0 | 0 | 0 | 115.6 | P2011 K2017 | P2011-S2013 PolarHBondContact O-N 3.31Å; P2011-S2013 VanDerWaalsContact O-N 3.11Å; S2013-K2017 VanDerWaalsContact O-CE 3.3Å; S2013-K2017 WeakPolarHBondContact O-CE 3.27Å |
| 2014 | K | 80.8 | Confident | 82.3 | Confident | 125 Ų | 125 | 67.6 Ų | 67.6 | 54% | 0.543 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -89.3 | -45.4 | 165.1 | -67.9 | -172.6 | -178.4 | 177.8 | 0 | 110.9 | L2010 P2011 I2012 E2016 K2017 | L2010-K2014 HydrophobicContact CD2-CD 4.17Å; P2011-K2014 WeakPolarHBondContact O-CB 3.5Å; P2011-K2014 PolarHBondContact O-N 3.34Å; I2012-K2014 PolarHBondContact O-N 2.9Å; I2012-K2014 VanDerWaalsContact O-N 3.13Å; K2014-E2016 PolarHBondContact O-N 3.01Å; K2014-K2017 WeakPolarHBondContact O-CB 3.39Å; K2014-K2017 PolarHBondContact O-N 3.22Å |
| 2015 | L | 80 | Confident | 82.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | -178.7 | -66.4 | 173.8 | 0 | 0 | 0 | 112.6 | P2006 L2010 P2011 I2012 K2017 L2018 M2021 W2184 M2188 | P2006-L2015 HydrophobicContact CB-CD2 4.03Å; P2006-L2015 HydrophobicContact CG-CD2 4.49Å; L2010-L2015 HydrophobicContact CB-CD1 4.37Å; L2010-L2015 HydrophobicContact CB-CD2 3.85Å; L2010-L2015 HydrophobicContact CB-CG 3.92Å; L2010-L2015 HydrophobicContact CD1-CD2 3.96Å; L2010-L2015 VanDerWaalsContact O-CD1 3.24Å; L2010-L2015 WeakPolarHBondContact O-CD1 3.08Å; P2011-L2015 PolarHBondContact O-N 3.13Å; I2012-L2015 CarbonylContact O-C 3.5Å; I2012-L2015 PolarHBondContact O-N 3.27Å; L2015-K2017 PolarHBondContact O-N 2.95Å; L2015-L2018 HydrophobicContact CD2-CD1 3.73Å; L2015-L2018 VanDerWaalsContact O-CB 3.27Å; L2015-L2018 WeakPolarHBondContact O-CB 3.3Å; L2015-L2018 WeakPolarHBondContact O-CG 3.4Å; L2015-L2018 PolarHBondContact O-N 3.47Å; L2015-M2021 WeakPolarHBondContact O-CG 3.37Å; L2015-W2184 HydrophobicContact CD1-CH2 3.92Å; L2015-W2184 HydrophobicContact CD1-CZ2 3.92Å; L2015-W2184 HydrophobicContact CD2-CH2 4.29Å; L2015-W2184 HydrophobicContact CD2-CZ2 3.92Å; L2015-M2188 HydrophobicContact CD1-CG 3.55Å |
| 2016 | E | 80.4 | Confident | 82.6 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -25.8 | 173.8 | -84 | 179.3 | -162 | 0 | 0 | 114.1 | I2012 K2014 R2100 N2102 L2146 | I2012-E2016 HydrophobicContact CG2-CG 3.98Å; I2012-E2016 WeakPolarHBondContact O-CB 3.47Å; I2012-E2016 WeakPolarHBondContact O-CG 3.38Å; I2012-E2016 PolarHBondContact O-N 2.96Å; K2014-E2016 PolarHBondContact O-N 3.01Å; E2016-R2100 WeakPolarHBondContact O-CD 3.47Å; E2016-R2100 PolarHBondContact O-NH1 3.25Å; E2016-N2102 VanDerWaalsContact OE1-CB 3.31Å; E2016-N2102 WeakPolarHBondContact OE1-CB 3.47Å; E2016-L2146 HydrophobicContact CG-CD1 4.1Å; E2016-L2146 HydrophobicContact CG-CD2 4.3Å |
| 2017 | K | 79.1 | Confident | 82.7 | Confident | 155 Ų | 155 | 61.4 Ų | 61.4 | 67% | 0.674 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -26 | -176.7 | -60.9 | 178.7 | -179.4 | 173.6 | 0 | 112.8 | S2013 K2014 L2015 R2100 | S2013-K2017 VanDerWaalsContact O-CE 3.3Å; S2013-K2017 WeakPolarHBondContact O-CE 3.27Å; K2014-K2017 WeakPolarHBondContact O-CB 3.39Å; K2014-K2017 PolarHBondContact O-N 3.22Å; L2015-K2017 PolarHBondContact O-N 2.95Å; K2017-R2100 VanDerWaalsContact C-NH1 3.28Å; K2017-R2100 PolarHBondContact O-NH1 3.01Å |
| 2018 | L | 81.9 | Confident | 82.6 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -57.6 | 150.6 | -177.6 | -65.3 | 174.4 | 0 | 0 | 0 | 113 | P2006 L2015 M2021 N2022 | P2006-L2018 HydrophobicContact CB-CD1 4.19Å; P2006-L2018 HydrophobicContact CG-CD1 3.58Å; L2015-L2018 HydrophobicContact CD2-CD1 3.73Å; L2015-L2018 VanDerWaalsContact O-CB 3.27Å; L2015-L2018 WeakPolarHBondContact O-CB 3.3Å; L2015-L2018 WeakPolarHBondContact O-CG 3.4Å; L2015-L2018 PolarHBondContact O-N 3.47Å; L2018-M2021 HydrophobicContact CB-CG 4.2Å; L2018-N2022 PolarHBondContact O-ND2 2.75Å |
| 2019 | T | 81.9 | Confident | 82.4 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 67% | 0.669 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -67 | -39.3 | 177.7 | 25.6 | 0 | 0 | 0 | 0 | 111.9 | M2021 N2022 | T2019-M2021 VanDerWaalsContact C-N 3.33Å; T2019-M2021 PolarHBondContact O-N 3.09Å; T2019-N2022 PolarHBondContact O-N 3.27Å; T2019-N2022 VanDerWaalsContact O-N 3.08Å |
| 2020 | E | 83.2 | Confident | 82.2 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -65.3 | -35.6 | -175.9 | -58.9 | 65.7 | -140 | 0 | 0 | 111.3 | N2022 A2023 P2141 N2142 | E2020-N2022 PolarHBondContact O-N 3.41Å; E2020-N2022 VanDerWaalsContact O-N 3.11Å; E2020-A2023 WeakPolarHBondContact O-CB 3.49Å; E2020-A2023 PolarHBondContact O-N 3.03Å; E2020-P2141 HydrophobicContact CB-CB 3.74Å; E2020-N2142 WeakPolarHBondContact O-CA 3.36Å |
| 2021 | M | 86 | Confident | 82.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58.6 | -23.1 | 174.3 | -74.7 | -53 | 114.8 | 0 | 0 | 113.7 | L2015 L2018 T2019 P2141 S2143 L2146 W2184 | L2015-M2021 WeakPolarHBondContact O-CG 3.37Å; L2018-M2021 HydrophobicContact CB-CG 4.2Å; T2019-M2021 VanDerWaalsContact C-N 3.33Å; T2019-M2021 PolarHBondContact O-N 3.09Å; M2021-P2141 HydrophobicContact CE-CB 3.55Å; M2021-P2141 HydrophobicContact CE-CG 4.3Å; M2021-S2143 WeakPolarHBondContact O-CA 3.49Å; M2021-S2143 WeakPolarHBondContact O-CB 3.49Å; M2021-S2143 PolarHBondContact O-N 3.22Å; M2021-L2146 HydrophobicContact CB-CD2 4.02Å; M2021-L2146 HydrophobicContact CG-CD2 4.27Å; M2021-L2146 HydrophobicContact SD-CB 3.89Å; M2021-L2146 HydrophobicContact SD-CD1 4.41Å; M2021-L2146 HydrophobicContact SD-CD2 4.33Å; M2021-L2146 HydrophobicContact SD-CG 4.44Å; M2021-W2184 HydrophobicContact CE-CH2 3.47Å; M2021-W2184 VanDerWaalsContact CE-CH2 3.47Å; M2021-W2184 HydrophobicContact CE-CZ2 4.48Å; M2021-W2184 HydrophobicContact CE-CZ3 3.7Å |
| 2022 | N | 82.5 | Confident | 82.4 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -93.4 | -12.9 | -179.3 | -60.5 | -82.6 | 0 | 0 | 0 | 112.2 | L2018 T2019 E2020 R2100 | L2018-N2022 PolarHBondContact O-ND2 2.75Å; T2019-N2022 PolarHBondContact O-N 3.27Å; T2019-N2022 VanDerWaalsContact O-N 3.08Å; E2020-N2022 PolarHBondContact O-N 3.41Å; E2020-N2022 VanDerWaalsContact O-N 3.11Å; N2022-R2100 PolarHBondContact ND2-NH1 3.5Å; N2022-R2100 VanDerWaalsContact ND2-NH1 3.12Å; N2022-R2100 WeakPolarHBondContact OD1-CD 3.44Å; N2022-R2100 PolarHBondContact OD1-NE 3.23Å |
| 2023 | A | 85.9 | Confident | 82.2 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -80.8 | 131 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E2020 S2143 | E2020-A2023 WeakPolarHBondContact O-CB 3.49Å; E2020-A2023 PolarHBondContact O-N 3.03Å; A2023-S2143 PolarHBondContact O-N 2.82Å; A2023-S2143 PolarHBondContact O-OG 2.91Å |
| 2024 | N | 87.8 | Confident | 82.1 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 135.3 | 172.2 | -61.1 | -25.5 | 0 | 0 | 0 | 109.5 | S2143 | N2024-S2143 WeakPolarHBondContact CA-OG 3.42Å; N2024-S2143 PolarHBondContact OD1-OG 3.26Å |
| 2025 | P | 90.3 | Very high | 82.3 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 154.9 | 176.8 | 32.3 | -35.5 | 0 | 0 | 0 | 110.8 | Y2140 N2142 H2144 | P2025-Y2140 WeakPolarHBondContact CA-OH 3.48Å; P2025-Y2140 WeakPolarHBondContact CB-OH 3.39Å; P2025-N2142 HydrophobicContact CB-CB 4.08Å; P2025-N2142 WeakPolarHBondContact CD-OD1 3.07Å; P2025-N2142 HydrophobicContact CG-CB 4.31Å; P2025-N2142 WeakPolarHBondContact CG-OD1 3.47Å; P2025-H2144 VanDerWaalsContact CD-CD2 3.42Å; P2025-H2144 WeakPolarHBondContact CD-CD2 3.49Å; P2025-H2144 HydrophobicContact CG-CB 4.13Å |
| 2026 | R | 85 | Confident | 82.2 | Confident | 141 Ų | 141 | 63.8 Ų | 63.8 | 53% | 0.532 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 141.6 | 168.4 | -79.1 | -172.3 | 171.7 | -164.2 | 1 | 110.7 | D1975 | D1975-R2026 WeakPolarHBondContact OD1-CB 3.41Å; D1975-R2026 VanDerWaalsContact OD1-CD 3.23Å; D1975-R2026 WeakPolarHBondContact OD1-CD 3.33Å; D1975-R2026 WeakPolarHBondContact OD2-CD 3.45Å; D1975-R2026 IonicContact OD2-NH1 2.75Å; D1975-R2026 PolarHBondContact OD2-NH1 3.43Å |
| 2027 | V | 85.6 | Confident | 82.4 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | trans | -144.2 | 104.1 | 173 | -167.8 | 0 | 0 | 0 | 0 | 106.9 | F1978 V2029 | F1978-V2027 HydrophobicContact CB-CG1 4.25Å; V2027-V2029 PolarHBondContact O-N 2.68Å | ||
| 2028 | S | 80.1 | Confident | 82.7 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | trans | -84.5 | 9.8 | -174.6 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | D1975 | D1975-S2028 PolarHBondContact O-N 3.02Š| ||
| 2029 | V | 78.2 | Confident | 82.8 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -113.4 | 129.6 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | Y1976 F1978 A1979 V2027 V2031 | Y1976-V2029 HydrophobicContact CD1-CG2 4.32Å; F1978-V2029 HydrophobicContact CD1-CB 4.16Å; F1978-V2029 HydrophobicContact CD1-CG1 3.98Å; F1978-V2029 HydrophobicContact CE1-CG1 4.41Å; A1979-V2029 HydrophobicContact CB-CG2 3.83Å; V2027-V2029 PolarHBondContact O-N 2.68Å; V2029-V2031 PolarHBondContact O-N 2.88Å |
| 2030 | N | 79.3 | Confident | 83.2 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | trans | -79.2 | 84.6 | -178.9 | -171.6 | -3.4 | 0 | 0 | 0 | 111.7 | T2032 Q2033 | N2030-T2032 PolarHBondContact O-N 3.04Å; N2030-T2032 VanDerWaalsContact OD1-CB 3.23Å; N2030-T2032 WeakPolarHBondContact OD1-CB 3.11Å; N2030-T2032 PolarHBondContact OD1-N 3.32Å; N2030-T2032 PolarHBondContact OD1-OG1 2.84Å; N2030-Q2033 HydrophobicContact CB-CB 4.46Å; N2030-Q2033 HydrophobicContact CB-CG 4.38Å; N2030-Q2033 WeakPolarHBondContact ND2-CG 3.25Å; N2030-Q2033 PolarHBondContact ND2-OE1 2.98Å; N2030-Q2033 WeakPolarHBondContact O-CB 3.46Å; N2030-Q2033 PolarHBondContact O-N 3.36Å | ||
| 2031 | V | 82.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -39.6 | -40.9 | 172.4 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | F1978 V2029 Q2033 S2034 I2035 I2084 Y2085 | F1978-V2031 HydrophobicContact CE1-CG2 4.43Å; V2029-V2031 PolarHBondContact O-N 2.88Å; V2031-Q2033 PolarHBondContact O-N 3.44Å; V2031-S2034 WeakPolarHBondContact O-CB 3.29Å; V2031-S2034 PolarHBondContact O-N 3.37Å; V2031-S2034 VanDerWaalsContact O-N 3.09Å; V2031-I2035 PolarHBondContact O-N 3.32Å; V2031-I2084 HydrophobicContact CB-CG2 4.35Å; V2031-I2084 HydrophobicContact CG1-CG2 3.56Å; V2031-I2084 HydrophobicContact CG2-CD1 4.46Å; V2031-I2084 HydrophobicContact CG2-CG2 3.77Å; V2031-Y2085 HydrophobicContact CG1-CD2 4.18Å |
| 2032 | T | 81.4 | Confident | 83.7 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -27.2 | -178.1 | -28 | 0 | 0 | 0 | 0 | 113.7 | N2030 K2041 Y2085 | N2030-T2032 PolarHBondContact O-N 3.04Å; N2030-T2032 VanDerWaalsContact OD1-CB 3.23Å; N2030-T2032 WeakPolarHBondContact OD1-CB 3.11Å; N2030-T2032 PolarHBondContact OD1-N 3.32Å; N2030-T2032 PolarHBondContact OD1-OG1 2.84Å; T2032-K2041 HydrophobicContact CG2-CD 4.13Å; T2032-K2041 VanDerWaalsContact CG2-CE 3.5Å; T2032-Y2085 HydrophobicContact CG2-CE2 4.19Å |
| 2033 | Q | 77 | Confident | 84 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -84.6 | -23.6 | 177.1 | -73.6 | 172.3 | -35.1 | 0 | 0 | 112.4 | N2030 V2031 I2035 Q2036 | N2030-Q2033 HydrophobicContact CB-CB 4.46Å; N2030-Q2033 HydrophobicContact CB-CG 4.38Å; N2030-Q2033 WeakPolarHBondContact ND2-CG 3.25Å; N2030-Q2033 PolarHBondContact ND2-OE1 2.98Å; N2030-Q2033 WeakPolarHBondContact O-CB 3.46Å; N2030-Q2033 PolarHBondContact O-N 3.36Å; V2031-Q2033 PolarHBondContact O-N 3.44Å; Q2033-I2035 VanDerWaalsContact C-N 3.34Å; Q2033-Q2036 PolarHBondContact O-NE2 2.99Å |
| 2034 | S | 75.8 | Confident | 84.4 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.9 | -21.8 | 176.5 | -52.9 | 0 | 0 | 0 | 0 | 113.4 | V2031 Q2036 S2081 | V2031-S2034 WeakPolarHBondContact O-CB 3.29Å; V2031-S2034 PolarHBondContact O-N 3.37Å; V2031-S2034 VanDerWaalsContact O-N 3.09Å; S2034-Q2036 VanDerWaalsContact C-N 3.35Å; S2034-Q2036 PolarHBondContact O-N 3.1Å; S2034-S2081 WeakPolarHBondContact CB-OG 3.33Å |
| 2035 | I | 85.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -78 | 84 | 176.6 | -52.8 | 173.1 | 0 | 0 | 0 | 109.9 | V2031 Q2033 F2040 K2041 L2078 Y2085 | V2031-I2035 PolarHBondContact O-N 3.32Å; Q2033-I2035 VanDerWaalsContact C-N 3.34Å; I2035-F2040 HydrophobicContact CG2-CD1 3.8Å; I2035-F2040 HydrophobicContact CG2-CE1 4.38Å; I2035-K2041 HydrophobicContact CB-CB 4.4Å; I2035-K2041 HydrophobicContact CG2-CB 3.79Å; I2035-K2041 HydrophobicContact CG2-CG 4.32Å; I2035-L2078 HydrophobicContact CG2-CD1 4.14Å; I2035-Y2085 HydrophobicContact CD1-CD1 3.84Å; I2035-Y2085 HydrophobicContact CD1-CD2 3.79Å; I2035-Y2085 HydrophobicContact CD1-CE1 4.37Å; I2035-Y2085 HydrophobicContact CD1-CE2 4.33Å; I2035-Y2085 HydrophobicContact CD1-CG 3.52Å |
| 2036 | Q | 78 | Confident | 84.7 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | trans | -106.7 | 145 | 174.4 | -61.4 | -60.9 | -26.1 | 0 | 0 | 110.9 | Q2033 S2034 | Q2033-Q2036 PolarHBondContact O-NE2 2.99Å; S2034-Q2036 VanDerWaalsContact C-N 3.35Å; S2034-Q2036 PolarHBondContact O-N 3.1Å | ||
| 2037 | P | 84.6 | Confident | 85.1 | Confident | 78 Ų | 78 | 50 Ų | 50 | 51% | 0.506 | 30% | 0.301 | S | S | . | . | S | Bend | cis | -78.2 | 163.9 | -4.4 | 33.1 | -36.4 | 0 | 0 | 0 | 112.8 | A2039 F2040 | P2037-A2039 PolarHBondContact O-N 2.78Å; P2037-A2039 VanDerWaalsContact O-N 3.1Å; P2037-F2040 HydrophobicContact CG-CB 4.36Å; P2037-F2040 VanDerWaalsContact O-CB 3.32Å; P2037-F2040 WeakPolarHBondContact O-CB 3.34Å; P2037-F2040 PolarHBondContact O-N 2.84Å |
| 2038 | P | 83.5 | Confident | 85.5 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 49% | 0.494 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -26.3 | -177 | -24.2 | 35.8 | 0 | 0 | 0 | 114.2 | F2040 K2041 N2042 | P2038-F2040 VanDerWaalsContact C-N 3.3Å; P2038-F2040 PolarHBondContact O-N 2.85Å; P2038-K2041 PolarHBondContact O-N 3.27Å; P2038-N2042 VanDerWaalsContact O-CG 3.29Å; P2038-N2042 PolarHBondContact O-N 3.25Å; P2038-N2042 PolarHBondContact O-OD1 2.95Å |
| 2039 | A | 85.6 | Confident | 86 | Confident | 75 Ų | 75 | 50 Ų | 50 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.8 | -36.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P2037 N2042 G2043 | P2037-A2039 PolarHBondContact O-N 2.78Å; P2037-A2039 VanDerWaalsContact O-N 3.1Å; A2039-N2042 PolarHBondContact O-N 3.38Å; A2039-G2043 PolarHBondContact O-N 3.32Å |
| 2040 | F | 89.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 174.3 | -177.8 | -79.7 | 0 | 0 | 0 | 110.6 | I2035 P2037 P2038 N2042 G2043 L2044 F2056 L2060 K2063 L2078 I2082 | I2035-F2040 HydrophobicContact CG2-CD1 3.8Å; I2035-F2040 HydrophobicContact CG2-CE1 4.38Å; P2037-F2040 HydrophobicContact CG-CB 4.36Å; P2037-F2040 VanDerWaalsContact O-CB 3.32Å; P2037-F2040 WeakPolarHBondContact O-CB 3.34Å; P2037-F2040 PolarHBondContact O-N 2.84Å; P2038-F2040 VanDerWaalsContact C-N 3.3Å; P2038-F2040 PolarHBondContact O-N 2.85Å; F2040-N2042 VanDerWaalsContact C-N 3.29Å; F2040-N2042 PolarHBondContact O-N 2.88Å; F2040-G2043 PolarHBondContact O-N 3.28Å; F2040-G2043 VanDerWaalsContact O-N 3.16Å; F2040-L2044 HydrophobicContact CE1-CB 4.41Å; F2040-L2044 HydrophobicContact CE1-CD2 4.32Å; F2040-L2044 PolarHBondContact O-N 3.3Å; F2040-F2056 HydrophobicContact CE1-CZ 4.31Å; F2040-F2056 HydrophobicContact CE2-CE2 4.5Å; F2040-F2056 HydrophobicContact CE2-CZ 4.32Å; F2040-F2056 AromaticContact CZ-CZ 3.97Å; F2040-F2056 HydrophobicContact CZ-CZ 3.97Å; F2040-L2060 HydrophobicContact CE2-CD1 3.97Å; F2040-L2060 HydrophobicContact CZ-CD1 3.62Å; F2040-K2063 HydrophobicContact CD2-CB 3.9Å; F2040-K2063 HydrophobicContact CD2-CD 4.05Å; F2040-K2063 HydrophobicContact CD2-CG 4.37Å; F2040-K2063 HydrophobicContact CE2-CB 3.69Å; F2040-K2063 HydrophobicContact CE2-CD 4.09Å; F2040-K2063 HydrophobicContact CE2-CG 4.44Å; F2040-L2078 HydrophobicContact CD1-CD1 4.43Å; F2040-I2082 HydrophobicContact CE1-CD1 3.44Å; F2040-I2082 VanDerWaalsContact CE1-CD1 3.44Å; F2040-I2082 HydrophobicContact CE1-CG1 3.74Å; F2040-I2082 HydrophobicContact CE2-CD1 4.49Å; F2040-I2082 HydrophobicContact CZ-CD1 3.42Å; F2040-I2082 VanDerWaalsContact CZ-CD1 3.42Å; F2040-I2082 HydrophobicContact CZ-CG1 4.19Å |
| 2041 | K | 90.3 | Very high | 87.2 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 19% | 0.191 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.2 | -41.3 | 176.3 | -174.3 | -165.6 | 157.1 | -63 | 0 | 111.8 | T2032 I2035 P2038 L2044 D2045 | T2032-K2041 HydrophobicContact CG2-CD 4.13Å; T2032-K2041 VanDerWaalsContact CG2-CE 3.5Å; I2035-K2041 HydrophobicContact CB-CB 4.4Å; I2035-K2041 HydrophobicContact CG2-CB 3.79Å; I2035-K2041 HydrophobicContact CG2-CG 4.32Å; P2038-K2041 PolarHBondContact O-N 3.27Å; K2041-L2044 PolarHBondContact O-N 3.41Å; K2041-D2045 IonicContact NZ-OD2 3.35Å; K2041-D2045 PolarHBondContact NZ-OD2 3.26Å; K2041-D2045 WeakPolarHBondContact O-CB 3.44Å; K2041-D2045 PolarHBondContact O-N 3.05Å |
| 2042 | N | 89.3 | Confident | 87.4 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.7 | -36.7 | 178.7 | -68.8 | -9.2 | 0 | 0 | 0 | 112.3 | P2038 A2039 F2040 G2046 | P2038-N2042 VanDerWaalsContact O-CG 3.29Å; P2038-N2042 PolarHBondContact O-N 3.25Å; P2038-N2042 PolarHBondContact O-OD1 2.95Å; A2039-N2042 PolarHBondContact O-N 3.38Å; F2040-N2042 VanDerWaalsContact C-N 3.29Å; F2040-N2042 PolarHBondContact O-N 2.88Å; N2042-G2046 PolarHBondContact O-N 3.04Å |
| 2043 | G | 89.9 | Confident | 87.9 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2039 F2040 G2046 Y2047 | A2039-G2043 PolarHBondContact O-N 3.32Å; F2040-G2043 PolarHBondContact O-N 3.28Å; F2040-G2043 VanDerWaalsContact O-N 3.16Å; G2043-G2046 PolarHBondContact O-N 3.34Å; G2043-Y2047 PolarHBondContact O-N 3.31Å |
| 2044 | L | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 176.9 | 179.7 | 62.3 | 0 | 0 | 0 | 111.9 | F2040 K2041 G2046 Y2047 L2048 F2056 Y2085 V2086 I2114 | F2040-L2044 HydrophobicContact CE1-CB 4.41Å; F2040-L2044 HydrophobicContact CE1-CD2 4.32Å; F2040-L2044 PolarHBondContact O-N 3.3Å; K2041-L2044 PolarHBondContact O-N 3.41Å; L2044-G2046 VanDerWaalsContact C-N 3.33Å; L2044-G2046 PolarHBondContact O-N 3.39Å; L2044-Y2047 PolarHBondContact O-N 2.8Å; L2044-L2048 HydrophobicContact CD1-CD1 4.29Å; L2044-L2048 HydrophobicContact CD1-CG 4.35Å; L2044-L2048 HydrophobicContact CG-CD1 4.2Å; L2044-L2048 WeakPolarHBondContact O-CB 3.49Å; L2044-L2048 VanDerWaalsContact O-CG 3.3Å; L2044-L2048 WeakPolarHBondContact O-CG 3.43Å; L2044-L2048 PolarHBondContact O-N 3.12Å; L2044-F2056 HydrophobicContact CB-CE1 4.34Å; L2044-F2056 HydrophobicContact CB-CE2 4.42Å; L2044-F2056 HydrophobicContact CB-CZ 3.76Å; L2044-F2056 HydrophobicContact CD1-CE1 3.86Å; L2044-F2056 HydrophobicContact CD1-CZ 4.03Å; L2044-Y2085 HydrophobicContact CD2-CD1 3.81Å; L2044-Y2085 HydrophobicContact CD2-CE1 4.17Å; L2044-V2086 HydrophobicContact CD1-CG2 4.07Å; L2044-V2086 HydrophobicContact CD2-CG2 4.48Å; L2044-I2114 HydrophobicContact CD1-CD1 3.63Å |
| 2045 | D | 93 | Very high | 89 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.15 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.8 | -82.1 | -27.7 | 0 | 0 | 0 | 112.2 | K2041 L2048 A2049 Y2085 R2089 | K2041-D2045 IonicContact NZ-OD2 3.35Å; K2041-D2045 PolarHBondContact NZ-OD2 3.26Å; K2041-D2045 WeakPolarHBondContact O-CB 3.44Å; K2041-D2045 PolarHBondContact O-N 3.05Å; D2045-L2048 PolarHBondContact O-N 2.79Å; D2045-A2049 VanDerWaalsContact O-CB 3.3Å; D2045-A2049 WeakPolarHBondContact O-CB 3.34Å; D2045-A2049 PolarHBondContact O-N 3.05Å; D2045-Y2085 WeakPolarHBondContact OD1-CE1 3.45Å; D2045-Y2085 PolarHBondContact OD1-OH 3.21Å; D2045-Y2085 PolarHBondContact OD2-OH 3.04Å; D2045-R2089 IonicContact OD1-CZ 2.69Å; D2045-R2089 IonicContact OD1-NE 3.18Å; D2045-R2089 PolarHBondContact OD1-NE 3.32Å; D2045-R2089 IonicContact OD1-NH2 3.42Å; D2045-R2089 PolarHBondContact OD1-NH2 3.42Å; D2045-R2089 IonicContact OD2-NH2 2.63Å; D2045-R2089 PolarHBondContact OD2-NH2 2.96Å |
| 2046 | G | 91.2 | Very high | 89.3 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 24% | 0.237 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N2042 G2043 L2044 A2049 N2050 A2052 | N2042-G2046 PolarHBondContact O-N 3.04Å; G2043-G2046 PolarHBondContact O-N 3.34Å; L2044-G2046 VanDerWaalsContact C-N 3.33Å; L2044-G2046 PolarHBondContact O-N 3.39Å; G2046-A2049 PolarHBondContact O-N 3.49Å; G2046-N2050 WeakPolarHBondContact O-CB 3.14Å; G2046-N2050 PolarHBondContact O-N 3.38Å; G2046-A2052 CarbonylContact C-O 3.53Å |
| 2047 | Y | 94.8 | Very high | 89.9 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 175.6 | -172.4 | -92.1 | 0 | 0 | 0 | 112 | G2043 L2044 A2049 R2051 P2053 F2056 L2057 A2110 D2113 I2114 | G2043-Y2047 PolarHBondContact O-N 3.31Å; L2044-Y2047 PolarHBondContact O-N 2.8Å; Y2047-A2049 VanDerWaalsContact C-N 3.28Å; Y2047-A2049 PolarHBondContact O-N 2.73Å; Y2047-R2051 WeakPolarHBondContact CE2-O 3.49Å; Y2047-R2051 WeakPolarHBondContact O-CA 3.4Å; Y2047-R2051 PolarHBondContact O-N 3.37Å; Y2047-P2053 WeakPolarHBondContact CD2-O 3.18Å; Y2047-F2056 HydrophobicContact CD1-CD1 4.5Å; Y2047-F2056 HydrophobicContact CD2-CB 4.15Å; Y2047-F2056 HydrophobicContact CD2-CD1 4.46Å; Y2047-F2056 HydrophobicContact CG-CB 4.43Å; Y2047-F2056 AromaticContact CG-CD1 4Å; Y2047-F2056 HydrophobicContact CG-CD1 4Å; Y2047-L2057 HydrophobicContact CE1-CD2 4.05Å; Y2047-L2057 HydrophobicContact CE1-CG 4.42Å; Y2047-L2057 HydrophobicContact CE2-CD1 4.41Å; Y2047-L2057 HydrophobicContact CE2-CG 4.11Å; Y2047-L2057 WeakPolarHBondContact OH-CD1 3.43Å; Y2047-A2110 HydrophobicContact CE1-CB 4.34Å; Y2047-D2113 HydrophobicContact CE1-CB 4.2Å; Y2047-D2113 PolarHBondContact OH-OD2 3.34Å; Y2047-I2114 HydrophobicContact CD1-CD1 4.06Å; Y2047-I2114 HydrophobicContact CD1-CG1 4.04Å; Y2047-I2114 HydrophobicContact CE1-CD1 4.48Å; Y2047-I2114 HydrophobicContact CE1-CG1 4.04Å |
| 2048 | L | 93.2 | Very high | 90 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -31.1 | 177.9 | -73 | 178.5 | 0 | 0 | 0 | 113.4 | L2044 D2045 V2086 R2089 H2111 I2114 | L2044-L2048 HydrophobicContact CD1-CD1 4.29Å; L2044-L2048 HydrophobicContact CD1-CG 4.35Å; L2044-L2048 HydrophobicContact CG-CD1 4.2Å; L2044-L2048 WeakPolarHBondContact O-CB 3.49Å; L2044-L2048 VanDerWaalsContact O-CG 3.3Å; L2044-L2048 WeakPolarHBondContact O-CG 3.43Å; L2044-L2048 PolarHBondContact O-N 3.12Å; D2045-L2048 PolarHBondContact O-N 2.79Å; L2048-V2086 HydrophobicContact CD1-CG2 4.46Å; L2048-R2089 HydrophobicContact CD1-CB 4.14Å; L2048-R2089 HydrophobicContact CD1-CG 3.96Å; L2048-H2111 HydrophobicContact CD2-CB 4.45Å; L2048-H2111 VanDerWaalsContact CD2-CD2 3.48Å; L2048-H2111 WeakPolarHBondContact CD2-CD2 3.43Å; L2048-I2114 HydrophobicContact CD2-CD1 3.61Å; L2048-I2114 HydrophobicContact CG-CD1 4.18Å |
| 2049 | A | 90.5 | Very high | 90.2 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 65% | 0.645 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -82.5 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | D2045 G2046 Y2047 | D2045-A2049 VanDerWaalsContact O-CB 3.3Å; D2045-A2049 WeakPolarHBondContact O-CB 3.34Å; D2045-A2049 PolarHBondContact O-N 3.05Å; G2046-A2049 PolarHBondContact O-N 3.49Å; Y2047-A2049 VanDerWaalsContact C-N 3.28Å; Y2047-A2049 PolarHBondContact O-N 2.73Å |
| 2050 | N | 91.6 | Very high | 90.5 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -111 | -5 | -167.1 | -57.8 | -37 | 0 | 0 | 0 | 114.2 | G2046 A2052 | G2046-N2050 WeakPolarHBondContact O-CB 3.14Å; G2046-N2050 PolarHBondContact O-N 3.38Å; N2050-A2052 HydrophobicContact CB-CB 4.39Å; N2050-A2052 PolarHBondContact O-N 3.19Å; N2050-A2052 VanDerWaalsContact O-N 3.16Å |
| 2051 | R | 91.9 | Very high | 90.6 | Very high | 116 Ų | 116 | 52.6 Ų | 52.6 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 55 | 23.1 | -167.8 | -146.7 | 174.4 | -169.2 | 157.9 | 6.9 | 113.6 | Y2047 H2108 A2110 D2113 | Y2047-R2051 WeakPolarHBondContact CE2-O 3.49Å; Y2047-R2051 WeakPolarHBondContact O-CA 3.4Å; Y2047-R2051 PolarHBondContact O-N 3.37Å; R2051-H2108 VanDerWaalsContact CZ-O 3.29Å; R2051-H2108 PolarHBondContact NH1-O 2.89Å; R2051-H2108 VanDerWaalsContact NH2-C 3.34Å; R2051-H2108 PolarHBondContact NH2-O 3.36Å; R2051-A2110 HydrophobicContact CG-CB 4.17Å; R2051-D2113 IonicContact CZ-OD1 2.74Å; R2051-D2113 IonicContact CZ-OD2 2.91Å; R2051-D2113 IonicContact NE-OD1 2.69Å; R2051-D2113 IonicContact NE-OD2 3.76Å; R2051-D2113 PolarHBondContact NE-OD2 2.8Å; R2051-D2113 IonicContact NH2-OD1 3.98Å; R2051-D2113 PolarHBondContact NH2-OD1 2.77Å; R2051-D2113 IonicContact NH2-OD2 2.69Å; R2051-D2113 PolarHBondContact NH2-OD2 3.08Å |
| 2052 | A | 86.5 | Confident | 90.5 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -151.4 | 151.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G2046 N2050 | G2046-A2052 CarbonylContact C-O 3.53Å; N2050-A2052 HydrophobicContact CB-CB 4.39Å; N2050-A2052 PolarHBondContact O-N 3.19Å; N2050-A2052 VanDerWaalsContact O-N 3.16Å | ||
| 2053 | P | 90.5 | Very high | 90.5 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | cis | -78 | 145.4 | -1.5 | 33.3 | -35.4 | 0 | 0 | 0 | 112 | Y2047 S2055 F2056 | Y2047-P2053 WeakPolarHBondContact CD2-O 3.18Å; P2053-S2055 PolarHBondContact O-N 3.47Å; P2053-F2056 VanDerWaalsContact O-CB 3.3Å; P2053-F2056 WeakPolarHBondContact O-CB 3.47Å; P2053-F2056 PolarHBondContact O-N 3.06Å | ||
| 2054 | V | 87.6 | Confident | 90.5 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 62% | 0.624 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.4 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | F2056 L2057 | V2054-F2056 PolarHBondContact O-N 2.99Å; V2054-F2056 VanDerWaalsContact O-N 3.09Å; V2054-L2057 WeakPolarHBondContact O-CB 3.44Å; V2054-L2057 PolarHBondContact O-N 3.27Å |
| 2055 | S | 88.8 | Confident | 90.4 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 43% | 0.427 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -18.8 | 173.2 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | P2053 L2057 S2058 D2059 | P2053-S2055 PolarHBondContact O-N 3.47Å; S2055-L2057 PolarHBondContact O-N 3.35Å; S2055-S2058 WeakPolarHBondContact CA-OG 3.13Å; S2055-S2058 PolarHBondContact O-N 3.44Å; S2055-S2058 PolarHBondContact O-OG 3.37Å; S2055-D2059 WeakPolarHBondContact O-CB 2.95Å; S2055-D2059 PolarHBondContact O-N 3.28Å |
| 2056 | F | 91.8 | Very high | 90.2 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -33.4 | 171.7 | -177.4 | -96.3 | 0 | 0 | 0 | 112.2 | F2040 L2044 Y2047 P2053 V2054 L2060 | F2040-F2056 HydrophobicContact CE1-CZ 4.31Å; F2040-F2056 HydrophobicContact CE2-CE2 4.5Å; F2040-F2056 HydrophobicContact CE2-CZ 4.32Å; F2040-F2056 AromaticContact CZ-CZ 3.97Å; F2040-F2056 HydrophobicContact CZ-CZ 3.97Å; L2044-F2056 HydrophobicContact CB-CE1 4.34Å; L2044-F2056 HydrophobicContact CB-CE2 4.42Å; L2044-F2056 HydrophobicContact CB-CZ 3.76Å; L2044-F2056 HydrophobicContact CD1-CE1 3.86Å; L2044-F2056 HydrophobicContact CD1-CZ 4.03Å; Y2047-F2056 HydrophobicContact CD1-CD1 4.5Å; Y2047-F2056 HydrophobicContact CD2-CB 4.15Å; Y2047-F2056 HydrophobicContact CD2-CD1 4.46Å; Y2047-F2056 HydrophobicContact CG-CB 4.43Å; Y2047-F2056 AromaticContact CG-CD1 4Å; Y2047-F2056 HydrophobicContact CG-CD1 4Å; P2053-F2056 VanDerWaalsContact O-CB 3.3Å; P2053-F2056 WeakPolarHBondContact O-CB 3.47Å; P2053-F2056 PolarHBondContact O-N 3.06Å; V2054-F2056 PolarHBondContact O-N 2.99Å; V2054-F2056 VanDerWaalsContact O-N 3.09Å; F2056-L2060 HydrophobicContact CE1-CD1 4.18Å; F2056-L2060 HydrophobicContact CZ-CD1 4.2Å; F2056-L2060 PolarHBondContact O-N 3.13Å |
| 2057 | L | 90.3 | Very high | 89.9 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.4 | -46.7 | 177.2 | -65.6 | -174.5 | 0 | 0 | 0 | 112.6 | Y2047 V2054 S2055 D2059 L2060 D2113 I2114 N2117 | Y2047-L2057 HydrophobicContact CE1-CD2 4.05Å; Y2047-L2057 HydrophobicContact CE1-CG 4.42Å; Y2047-L2057 HydrophobicContact CE2-CD1 4.41Å; Y2047-L2057 HydrophobicContact CE2-CG 4.11Å; Y2047-L2057 WeakPolarHBondContact OH-CD1 3.43Å; V2054-L2057 WeakPolarHBondContact O-CB 3.44Å; V2054-L2057 PolarHBondContact O-N 3.27Å; S2055-L2057 PolarHBondContact O-N 3.35Å; L2057-D2059 VanDerWaalsContact C-N 3.26Å; L2057-D2059 PolarHBondContact O-N 2.86Å; L2057-L2060 WeakPolarHBondContact O-CB 3.12Å; L2057-L2060 PolarHBondContact O-N 2.97Å; L2057-D2113 HydrophobicContact CD1-CB 4.44Å; L2057-I2114 HydrophobicContact CD2-CG1 3.97Å; L2057-N2117 HydrophobicContact CB-CB 4.48Å; L2057-N2117 HydrophobicContact CD1-CB 4.41Å; L2057-N2117 HydrophobicContact CD2-CB 4.15Å; L2057-N2117 PolarHBondContact O-ND2 3.33Å |
| 2058 | S | 86.4 | Confident | 89.3 | Confident | 80 Ų | 80 | 65 Ų | 65 | 56% | 0.559 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.9 | -31.3 | 178.3 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | S2055 L2060 | S2055-S2058 WeakPolarHBondContact CA-OG 3.13Å; S2055-S2058 PolarHBondContact O-N 3.44Å; S2055-S2058 PolarHBondContact O-OG 3.37Å; S2058-L2060 VanDerWaalsContact C-N 3.3Å |
| 2059 | D | 89.4 | Confident | 88.5 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 32% | 0.316 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.7 | 174.9 | -60.3 | -5.8 | 0 | 0 | 0 | 113.1 | S2055 L2057 R2061 S2062 K2063 | S2055-D2059 WeakPolarHBondContact O-CB 2.95Å; S2055-D2059 PolarHBondContact O-N 3.28Å; L2057-D2059 VanDerWaalsContact C-N 3.26Å; L2057-D2059 PolarHBondContact O-N 2.86Å; D2059-R2061 PolarHBondContact O-N 2.79Å; D2059-S2062 PolarHBondContact O-N 3.17Å; D2059-S2062 PolarHBondContact O-OG 3.43Å; D2059-K2063 HydrophobicContact CB-CD 3.86Å; D2059-K2063 VanDerWaalsContact CB-CE 3.41Å; D2059-K2063 HydrophobicContact CB-CG 4.5Å; D2059-K2063 WeakPolarHBondContact O-CB 3.15Å; D2059-K2063 WeakPolarHBondContact O-CD 3.49Å; D2059-K2063 VanDerWaalsContact O-CG 3.28Å; D2059-K2063 WeakPolarHBondContact O-CG 3.41Å; D2059-K2063 PolarHBondContact O-N 2.8Å; D2059-K2063 IonicContact OD2-NZ 3.61Å; D2059-K2063 PolarHBondContact OD2-NZ 3.44Å |
| 2060 | L | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | -166.1 | -173.6 | 56.9 | 0 | 0 | 0 | 111.5 | F2040 F2056 L2057 S2058 K2063 L2064 I2114 L2118 | F2040-L2060 HydrophobicContact CE2-CD1 3.97Å; F2040-L2060 HydrophobicContact CZ-CD1 3.62Å; F2056-L2060 HydrophobicContact CE1-CD1 4.18Å; F2056-L2060 HydrophobicContact CZ-CD1 4.2Å; F2056-L2060 PolarHBondContact O-N 3.13Å; L2057-L2060 WeakPolarHBondContact O-CB 3.12Å; L2057-L2060 PolarHBondContact O-N 2.97Å; S2058-L2060 VanDerWaalsContact C-N 3.3Å; L2060-K2063 PolarHBondContact O-N 3.46Å; L2060-L2064 HydrophobicContact CD1-CD1 4.38Å; L2060-L2064 HydrophobicContact CG-CD1 4.15Å; L2060-L2064 WeakPolarHBondContact O-CB 3.26Å; L2060-L2064 VanDerWaalsContact O-CG 3.28Å; L2060-L2064 WeakPolarHBondContact O-CG 3.28Å; L2060-L2064 PolarHBondContact O-N 2.75Å; L2060-L2064 VanDerWaalsContact O-N 3.09Å; L2060-I2114 HydrophobicContact CD2-CG2 3.93Å; L2060-L2118 HydrophobicContact CD2-CD1 4.27Å; L2060-L2118 HydrophobicContact CD2-CD2 3.68Å; L2060-L2118 HydrophobicContact CD2-CG 3.81Å; L2060-L2118 HydrophobicContact CG-CD2 3.99Å |
| 2061 | R | 91.6 | Very high | 86.7 | Confident | 83 Ų | 83 | 67 Ų | 67 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.2 | 171 | 177 | 179.1 | 177.2 | 0 | 112.7 | D2059 K2063 L2064 Q2065 D2121 L2122 | D2059-R2061 PolarHBondContact O-N 2.79Å; R2061-K2063 VanDerWaalsContact C-N 3.27Å; R2061-K2063 PolarHBondContact O-N 3.05Å; R2061-L2064 PolarHBondContact O-N 3.21Å; R2061-L2064 VanDerWaalsContact O-N 3.1Å; R2061-Q2065 WeakPolarHBondContact O-CB 3.26Å; R2061-Q2065 PolarHBondContact O-N 3.13Å; R2061-D2121 WeakPolarHBondContact CB-OD2 3.48Å; R2061-D2121 VanDerWaalsContact CD-O 3.31Å; R2061-D2121 WeakPolarHBondContact CD-O 3.37Å; R2061-D2121 WeakPolarHBondContact CD-OD2 3.48Å; R2061-D2121 PolarHBondContact NH1-O 2.91Å; R2061-D2121 IonicContact NH1-OD1 3.4Å; R2061-L2122 HydrophobicContact CB-CD2 4.13Å; R2061-L2122 HydrophobicContact CG-CD2 4.13Å |
| 2062 | S | 88.9 | Confident | 86.2 | Confident | 82 Ų | 82 | 68.8 Ų | 68.8 | 57% | 0.573 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.2 | -26.3 | -179.7 | 60 | 0 | 0 | 0 | 0 | 112.7 | D2059 | D2059-S2062 PolarHBondContact O-N 3.17Å; D2059-S2062 PolarHBondContact O-OG 3.43Å |
| 2063 | K | 88.5 | Confident | 86.2 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -78.6 | -19.6 | 170.7 | -69.9 | 163.8 | -175.6 | 159.3 | 0 | 113.9 | F2040 D2059 L2060 R2061 | F2040-K2063 HydrophobicContact CD2-CB 3.9Å; F2040-K2063 HydrophobicContact CD2-CD 4.05Å; F2040-K2063 HydrophobicContact CD2-CG 4.37Å; F2040-K2063 HydrophobicContact CE2-CB 3.69Å; F2040-K2063 HydrophobicContact CE2-CD 4.09Å; F2040-K2063 HydrophobicContact CE2-CG 4.44Å; D2059-K2063 HydrophobicContact CB-CD 3.86Å; D2059-K2063 VanDerWaalsContact CB-CE 3.41Å; D2059-K2063 HydrophobicContact CB-CG 4.5Å; D2059-K2063 WeakPolarHBondContact O-CB 3.15Å; D2059-K2063 WeakPolarHBondContact O-CD 3.49Å; D2059-K2063 VanDerWaalsContact O-CG 3.28Å; D2059-K2063 WeakPolarHBondContact O-CG 3.41Å; D2059-K2063 PolarHBondContact O-N 2.8Å; D2059-K2063 IonicContact OD2-NZ 3.61Å; D2059-K2063 PolarHBondContact OD2-NZ 3.44Å; L2060-K2063 PolarHBondContact O-N 3.46Å; R2061-K2063 VanDerWaalsContact C-N 3.27Å; R2061-K2063 PolarHBondContact O-N 3.05Å |
| 2064 | L | 90.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -92.9 | -26.5 | 176.6 | -77.9 | 169.2 | 0 | 0 | 0 | 113.4 | L2060 R2061 Y2074 N2075 L2078 L2079 I2082 L2118 | L2060-L2064 HydrophobicContact CD1-CD1 4.38Å; L2060-L2064 HydrophobicContact CG-CD1 4.15Å; L2060-L2064 WeakPolarHBondContact O-CB 3.26Å; L2060-L2064 VanDerWaalsContact O-CG 3.28Å; L2060-L2064 WeakPolarHBondContact O-CG 3.28Å; L2060-L2064 PolarHBondContact O-N 2.75Å; L2060-L2064 VanDerWaalsContact O-N 3.09Å; R2061-L2064 PolarHBondContact O-N 3.21Å; R2061-L2064 VanDerWaalsContact O-N 3.1Å; L2064-Y2074 HydrophobicContact CB-CD1 4.1Å; L2064-Y2074 WeakPolarHBondContact O-CA 3.3Å; L2064-N2075 PolarHBondContact O-N 2.88Å; L2064-L2078 HydrophobicContact CD2-CD2 4.27Å; L2064-L2078 HydrophobicContact CD2-CG 4.16Å; L2064-L2079 HydrophobicContact CD1-CD1 4.12Å; L2064-L2079 HydrophobicContact CD2-CB 4.19Å; L2064-L2079 HydrophobicContact CD2-CD1 4.34Å; L2064-I2082 HydrophobicContact CD2-CD1 3.79Å; L2064-L2118 HydrophobicContact CD1-CD2 3.56Å |
| 2065 | Q | 90.1 | Very high | 86.4 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -82.8 | 128 | -177.5 | -166.9 | 174.3 | -13.6 | 0 | 0 | 111.2 | R2061 S2067 K2073 Y2074 | R2061-Q2065 WeakPolarHBondContact O-CB 3.26Å; R2061-Q2065 PolarHBondContact O-N 3.13Å; Q2065-S2067 WeakPolarHBondContact CG-O 3.38Å; Q2065-S2067 PolarHBondContact NE2-O 3.25Å; Q2065-K2073 CarbonylContact C-O 3.14Å; Q2065-K2073 WeakPolarHBondContact CA-O 3.39Å; Q2065-K2073 WeakPolarHBondContact CG-O 3.47Å; Q2065-Y2074 HydrophobicContact CB-CD1 4.29Å; Q2065-Y2074 HydrophobicContact CB-CE1 4.1Å; Q2065-Y2074 HydrophobicContact CG-CE1 4.46Å |
| 2066 | I | 88.8 | Confident | 86.4 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | trans | -119.4 | -13.2 | -177.3 | 57.8 | 171.1 | 0 | 0 | 0 | 113.4 | K2073 N2075 | I2066-K2073 WeakPolarHBondContact CG1-O 3.45Å; I2066-K2073 PolarHBondContact N-O 3.08Å; I2066-N2075 HydrophobicContact CD1-CB 4.34Å; I2066-N2075 HydrophobicContact CG2-CB 3.89Å | ||
| 2067 | S | 85.8 | Confident | 86.3 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | trans | -151.7 | 166 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 111.8 | Q2065 E2069 R2072 K2073 | Q2065-S2067 WeakPolarHBondContact CG-O 3.38Å; Q2065-S2067 PolarHBondContact NE2-O 3.25Å; S2067-E2069 WeakPolarHBondContact OG-CB 3.34Å; S2067-E2069 PolarHBondContact OG-N 3.31Å; S2067-R2072 WeakPolarHBondContact CB-O 3.25Å; S2067-K2073 PolarHBondContact N-O 3.1Å; S2067-K2073 WeakPolarHBondContact O-CA 3.36Å | ||
| 2068 | S | 81 | Confident | 86.3 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 72% | 0.72 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -94.5 | -15.4 | 162.8 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 2069 | E | 77.6 | Confident | 86.6 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -63.8 | 127 | -179.3 | -68.6 | -172.5 | 142.4 | 0 | 0 | 112.2 | S2067 G2071 R2072 K2073 | S2067-E2069 WeakPolarHBondContact OG-CB 3.34Å; S2067-E2069 PolarHBondContact OG-N 3.31Å; E2069-G2071 PolarHBondContact O-N 3.12Å; E2069-R2072 HydrophobicContact CB-CB 4.23Å; E2069-R2072 CarbonylContact O-C 3.52Å; E2069-R2072 PolarHBondContact O-N 2.91Å; E2069-R2072 VanDerWaalsContact O-N 3.11Å; E2069-R2072 VanDerWaalsContact OE2-CD 3.32Å; E2069-R2072 WeakPolarHBondContact OE2-CD 3.27Å; E2069-R2072 IonicContact OE2-NH1 2.74Å; E2069-K2073 VanDerWaalsContact O-CG 3.28Å; E2069-K2073 WeakPolarHBondContact O-CG 3.43Å; E2069-K2073 PolarHBondContact O-N 3.28Å |
| 2070 | P | 74.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 57 Ų | 57 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 134.6 | 174.2 | -26.1 | 35 | 0 | 0 | 0 | 113.1 | R2072 | P2070-R2072 PolarHBondContact O-N 2.93Š|
| 2071 | G | 70.5 | Confident | 86.8 | Confident | 50 Ų | 50 | 57 Ų | 57 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 3.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E2069 E2125 | E2069-G2071 PolarHBondContact O-N 3.12Å; G2071-E2125 VanDerWaalsContact CA-OE1 3.27Å; G2071-E2125 WeakPolarHBondContact CA-OE1 3.48Å; G2071-E2125 PolarHBondContact N-OE1 3.01Å; G2071-E2125 PolarHBondContact N-OE2 2.74Å; G2071-E2125 VanDerWaalsContact N-OE2 3.08Å |
| 2072 | R | 79.5 | Confident | 86.9 | Confident | 153 Ų | 153 | 53.1 Ų | 53.1 | 58% | 0.577 | 30% | 0.299 | S | S | * | . | trans | -133.8 | 7.9 | 173.2 | -69.5 | -177.8 | 174.2 | -170.7 | -0.3 | 112.8 | S2067 E2069 P2070 Y2074 E2125 | S2067-R2072 WeakPolarHBondContact CB-O 3.25Å; E2069-R2072 HydrophobicContact CB-CB 4.23Å; E2069-R2072 CarbonylContact O-C 3.52Å; E2069-R2072 PolarHBondContact O-N 2.91Å; E2069-R2072 VanDerWaalsContact O-N 3.11Å; E2069-R2072 VanDerWaalsContact OE2-CD 3.32Å; E2069-R2072 WeakPolarHBondContact OE2-CD 3.27Å; E2069-R2072 IonicContact OE2-NH1 2.74Å; P2070-R2072 PolarHBondContact O-N 2.93Å; R2072-Y2074 VanDerWaalsContact C-N 3.3Å; R2072-Y2074 PolarHBondContact O-N 3.1Å; R2072-E2125 PolarHBondContact N-OE1 2.92Å | ||
| 2073 | K | 88 | Confident | 87.2 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -62.9 | -35.2 | -171.7 | -64.8 | -173.8 | -165.1 | 125.1 | 0 | 113.3 | Q2065 I2066 S2067 E2069 D2123 E2125 | Q2065-K2073 CarbonylContact C-O 3.14Å; Q2065-K2073 WeakPolarHBondContact CA-O 3.39Å; Q2065-K2073 WeakPolarHBondContact CG-O 3.47Å; I2066-K2073 WeakPolarHBondContact CG1-O 3.45Å; I2066-K2073 PolarHBondContact N-O 3.08Å; S2067-K2073 PolarHBondContact N-O 3.1Å; S2067-K2073 WeakPolarHBondContact O-CA 3.36Å; E2069-K2073 VanDerWaalsContact O-CG 3.28Å; E2069-K2073 WeakPolarHBondContact O-CG 3.43Å; E2069-K2073 PolarHBondContact O-N 3.28Å; K2073-D2123 IonicContact NZ-OD2 2.68Å; K2073-D2123 PolarHBondContact NZ-OD2 3.12Å; K2073-E2125 WeakPolarHBondContact CB-OE1 3.27Å; K2073-E2125 WeakPolarHBondContact CD-OE2 3.28Å; K2073-E2125 VanDerWaalsContact CE-OE2 3.24Å; K2073-E2125 WeakPolarHBondContact CE-OE2 3.43Å; K2073-E2125 WeakPolarHBondContact CG-OE1 3.5Å; K2073-E2125 WeakPolarHBondContact CG-OE2 3.4Å; K2073-E2125 PolarHBondContact N-OE1 3.27Å; K2073-E2125 IonicContact NZ-OE2 3.44Å; K2073-E2125 PolarHBondContact NZ-OE2 3.4Å |
| 2074 | Y | 91.1 | Very high | 87.5 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 145.6 | -166.9 | -67.6 | -77.8 | 0 | 0 | 0 | 113.9 | L2064 Q2065 R2072 V2076 L2122 D2123 E2125 L2129 | L2064-Y2074 HydrophobicContact CB-CD1 4.1Å; L2064-Y2074 WeakPolarHBondContact O-CA 3.3Å; Q2065-Y2074 HydrophobicContact CB-CD1 4.29Å; Q2065-Y2074 HydrophobicContact CB-CE1 4.1Å; Q2065-Y2074 HydrophobicContact CG-CE1 4.46Å; R2072-Y2074 VanDerWaalsContact C-N 3.3Å; R2072-Y2074 PolarHBondContact O-N 3.1Å; Y2074-V2076 PolarHBondContact O-N 3.29Å; Y2074-L2122 HydrophobicContact CD1-CD2 4.46Å; Y2074-L2122 HydrophobicContact CE1-CD2 3.66Å; Y2074-D2123 WeakPolarHBondContact CE2-OD1 3.48Å; Y2074-E2125 HydrophobicContact CD2-CG 4.41Å; Y2074-E2125 HydrophobicContact CE2-CB 4.49Å; Y2074-L2129 HydrophobicContact CD2-CD1 4.31Å |
| 2075 | N | 89.7 | Confident | 87.6 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | trans | -74.6 | 87.6 | 173.1 | -172.3 | -19.5 | 0 | 0 | 0 | 110.6 | L2064 I2066 P2077 L2078 L2079 | L2064-N2075 PolarHBondContact O-N 2.88Å; I2066-N2075 HydrophobicContact CD1-CB 4.34Å; I2066-N2075 HydrophobicContact CG2-CB 3.89Å; N2075-P2077 WeakPolarHBondContact OD1-CD 3.44Å; N2075-L2078 HydrophobicContact CB-CB 3.95Å; N2075-L2078 HydrophobicContact CB-CD2 4.47Å; N2075-L2078 PolarHBondContact O-N 3.41Å; N2075-L2078 WeakPolarHBondContact OD1-CB 3.48Å; N2075-L2078 PolarHBondContact OD1-N 2.91Å; N2075-L2079 PolarHBondContact O-N 3.25Å | ||
| 2076 | V | 89.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | -175.6 | -178.1 | 0 | 0 | 0 | 0 | 113.4 | Y2074 L2078 L2079 N2080 L2129 | Y2074-V2076 PolarHBondContact O-N 3.29Å; V2076-L2078 VanDerWaalsContact C-N 3.34Å; V2076-L2078 PolarHBondContact O-N 2.79Å; V2076-L2079 PolarHBondContact O-N 3.05Å; V2076-N2080 WeakPolarHBondContact O-CB 3.43Å; V2076-N2080 VanDerWaalsContact O-CG 3.28Å; V2076-N2080 PolarHBondContact O-N 3.05Å; V2076-L2129 HydrophobicContact CG2-CD1 4Å; V2076-L2129 HydrophobicContact CG2-CD2 3.9Å |
| 2077 | P | 89.2 | Confident | 88.1 | Confident | 59 Ų | 59 | 37 Ų | 37 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.4 | -39.1 | 175.6 | -26.6 | 36.8 | 0 | 0 | 0 | 113.5 | D1982 N2075 S2081 | D1982-P2077 WeakPolarHBondContact OD2-CB 3.4Å; N2075-P2077 WeakPolarHBondContact OD1-CD 3.44Å; P2077-S2081 VanDerWaalsContact O-CB 3.23Å; P2077-S2081 WeakPolarHBondContact O-CB 3.37Å; P2077-S2081 PolarHBondContact O-N 2.69Å; P2077-S2081 PolarHBondContact O-OG 2.82Å |
| 2078 | L | 91.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 175.7 | 179.2 | 58.9 | 0 | 0 | 0 | 111.2 | I2035 F2040 L2064 N2075 V2076 S2081 I2082 | I2035-L2078 HydrophobicContact CG2-CD1 4.14Å; F2040-L2078 HydrophobicContact CD1-CD1 4.43Å; L2064-L2078 HydrophobicContact CD2-CD2 4.27Å; L2064-L2078 HydrophobicContact CD2-CG 4.16Å; N2075-L2078 HydrophobicContact CB-CB 3.95Å; N2075-L2078 HydrophobicContact CB-CD2 4.47Å; N2075-L2078 PolarHBondContact O-N 3.41Å; N2075-L2078 WeakPolarHBondContact OD1-CB 3.48Å; N2075-L2078 PolarHBondContact OD1-N 2.91Å; V2076-L2078 VanDerWaalsContact C-N 3.34Å; V2076-L2078 PolarHBondContact O-N 2.79Å; L2078-S2081 PolarHBondContact O-N 3.3Å; L2078-I2082 HydrophobicContact CD1-CD1 3.89Å; L2078-I2082 HydrophobicContact CD1-CG1 4.19Å; L2078-I2082 HydrophobicContact CG-CD1 3.77Å; L2078-I2082 WeakPolarHBondContact O-CB 3.38Å; L2078-I2082 WeakPolarHBondContact O-CD1 3.26Å; L2078-I2082 WeakPolarHBondContact O-CG1 3.45Å; L2078-I2082 PolarHBondContact O-N 2.84Å |
| 2079 | L | 92.7 | Very high | 89 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 176.5 | -178.2 | 60.5 | 0 | 0 | 0 | 111.7 | L2064 N2075 V2076 S2081 I2082 V2083 L2129 F2130 | L2064-L2079 HydrophobicContact CD1-CD1 4.12Å; L2064-L2079 HydrophobicContact CD2-CB 4.19Å; L2064-L2079 HydrophobicContact CD2-CD1 4.34Å; N2075-L2079 PolarHBondContact O-N 3.25Å; V2076-L2079 PolarHBondContact O-N 3.05Å; L2079-S2081 VanDerWaalsContact C-N 3.34Å; L2079-S2081 PolarHBondContact O-N 2.67Å; L2079-I2082 PolarHBondContact O-N 2.91Å; L2079-V2083 WeakPolarHBondContact O-CG2 3.42Å; L2079-V2083 PolarHBondContact O-N 3.06Å; L2079-L2129 HydrophobicContact CD2-CB 3.84Å; L2079-F2130 HydrophobicContact CD1-CD2 4.39Å; L2079-F2130 HydrophobicContact CD2-CB 4.33Å |
| 2080 | N | 92.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.4 | -68.9 | -12.8 | 0 | 0 | 0 | 111.7 | F1978 D1982 V2076 V2083 I2084 S2133 | F1978-N2080 HydrophobicContact CE2-CB 4.21Å; D1982-N2080 WeakPolarHBondContact OD1-CB 3.31Å; D1982-N2080 PolarHBondContact OD1-ND2 3.13Å; V2076-N2080 WeakPolarHBondContact O-CB 3.43Å; V2076-N2080 VanDerWaalsContact O-CG 3.28Å; V2076-N2080 PolarHBondContact O-N 3.05Å; N2080-V2083 PolarHBondContact O-N 3.03Å; N2080-I2084 WeakPolarHBondContact O-CG2 3.23Å; N2080-I2084 PolarHBondContact O-N 3.4Å; N2080-I2084 VanDerWaalsContact O-N 3.13Å; N2080-S2133 WeakPolarHBondContact OD1-CB 3.43Å |
| 2081 | S | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | S2034 P2077 L2078 L2079 Y2085 | S2034-S2081 WeakPolarHBondContact CB-OG 3.33Å; P2077-S2081 VanDerWaalsContact O-CB 3.23Å; P2077-S2081 WeakPolarHBondContact O-CB 3.37Å; P2077-S2081 PolarHBondContact O-N 2.69Å; P2077-S2081 PolarHBondContact O-OG 2.82Å; L2078-S2081 PolarHBondContact O-N 3.3Å; L2079-S2081 VanDerWaalsContact C-N 3.34Å; L2079-S2081 PolarHBondContact O-N 2.67Å; S2081-Y2085 WeakPolarHBondContact O-CB 3.41Å; S2081-Y2085 PolarHBondContact O-N 3.36Å |
| 2082 | I | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -49.1 | 176.1 | -70.8 | 158.6 | 0 | 0 | 0 | 110.5 | F2040 L2064 L2078 L2079 I2084 Y2085 V2086 | F2040-I2082 HydrophobicContact CE1-CD1 3.44Å; F2040-I2082 VanDerWaalsContact CE1-CD1 3.44Å; F2040-I2082 HydrophobicContact CE1-CG1 3.74Å; F2040-I2082 HydrophobicContact CE2-CD1 4.49Å; F2040-I2082 HydrophobicContact CZ-CD1 3.42Å; F2040-I2082 VanDerWaalsContact CZ-CD1 3.42Å; F2040-I2082 HydrophobicContact CZ-CG1 4.19Å; L2064-I2082 HydrophobicContact CD2-CD1 3.79Å; L2078-I2082 HydrophobicContact CD1-CD1 3.89Å; L2078-I2082 HydrophobicContact CD1-CG1 4.19Å; L2078-I2082 HydrophobicContact CG-CD1 3.77Å; L2078-I2082 WeakPolarHBondContact O-CB 3.38Å; L2078-I2082 WeakPolarHBondContact O-CD1 3.26Å; L2078-I2082 WeakPolarHBondContact O-CG1 3.45Å; L2078-I2082 PolarHBondContact O-N 2.84Å; L2079-I2082 PolarHBondContact O-N 2.91Å; I2082-I2084 PolarHBondContact O-N 3.39Å; I2082-Y2085 PolarHBondContact O-N 3.22Å; I2082-V2086 HydrophobicContact CG2-CG2 4.06Å; I2082-V2086 WeakPolarHBondContact O-CB 3.28Å; I2082-V2086 VanDerWaalsContact O-CG2 3.29Å; I2082-V2086 WeakPolarHBondContact O-CG2 3.41Å; I2082-V2086 PolarHBondContact O-N 3.06Å |
| 2083 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | -174.9 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | L2079 N2080 Y2085 G2087 F2115 F2130 S2133 I2134 F2148 | L2079-V2083 WeakPolarHBondContact O-CG2 3.42Å; L2079-V2083 PolarHBondContact O-N 3.06Å; N2080-V2083 PolarHBondContact O-N 3.03Å; V2083-Y2085 PolarHBondContact O-N 3.38Å; V2083-G2087 PolarHBondContact O-N 3.42Å; V2083-G2087 VanDerWaalsContact O-N 3.08Å; V2083-F2115 HydrophobicContact CB-CE1 4.39Å; V2083-F2115 HydrophobicContact CG1-CE1 4.23Å; V2083-F2115 HydrophobicContact CG1-CZ 4.47Å; V2083-F2115 HydrophobicContact CG2-CE1 4.11Å; V2083-F2130 HydrophobicContact CG2-CD2 3.82Å; V2083-F2130 HydrophobicContact CG2-CE2 3.82Å; V2083-S2133 VanDerWaalsContact CG2-OG 3.3Å; V2083-S2133 WeakPolarHBondContact CG2-OG 3.35Å; V2083-I2134 HydrophobicContact CG1-CG1 3.68Å; V2083-F2148 HydrophobicContact CG1-CE1 3.8Å; V2083-F2148 HydrophobicContact CG1-CZ 4.3Å; V2083-F2148 WeakPolarHBondContact O-CZ 3.42Å |
| 2084 | I | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 176.4 | -160.7 | 178.1 | 0 | 0 | 0 | 112 | F1978 V2031 N2080 I2082 G2087 I2088 | F1978-I2084 HydrophobicContact CD2-CD1 3.94Å; F1978-I2084 HydrophobicContact CD2-CG2 4.14Å; F1978-I2084 HydrophobicContact CE2-CB 4.38Å; F1978-I2084 HydrophobicContact CE2-CD1 4.45Å; F1978-I2084 HydrophobicContact CE2-CG2 3.59Å; F1978-I2084 HydrophobicContact CZ-CG2 4.15Å; V2031-I2084 HydrophobicContact CB-CG2 4.35Å; V2031-I2084 HydrophobicContact CG1-CG2 3.56Å; V2031-I2084 HydrophobicContact CG2-CD1 4.46Å; V2031-I2084 HydrophobicContact CG2-CG2 3.77Å; N2080-I2084 WeakPolarHBondContact O-CG2 3.23Å; N2080-I2084 PolarHBondContact O-N 3.4Å; N2080-I2084 VanDerWaalsContact O-N 3.13Å; I2082-I2084 PolarHBondContact O-N 3.39Å; I2084-G2087 PolarHBondContact O-N 3.45Å; I2084-I2088 HydrophobicContact CG1-CD1 4.02Å; I2084-I2088 WeakPolarHBondContact O-CB 3.38Å; I2084-I2088 WeakPolarHBondContact O-CD1 3.4Å; I2084-I2088 VanDerWaalsContact O-CG1 3.23Å; I2084-I2088 WeakPolarHBondContact O-CG1 3.42Å; I2084-I2088 PolarHBondContact O-N 3.1Å |
| 2085 | Y | 94.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 7% | 0.071 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.2 | -45.3 | 178 | -174.3 | -100.1 | 0 | 0 | 0 | 113.2 | V2031 T2032 I2035 L2044 D2045 S2081 I2082 V2083 G2087 I2088 R2089 | V2031-Y2085 HydrophobicContact CG1-CD2 4.18Å; T2032-Y2085 HydrophobicContact CG2-CE2 4.19Å; I2035-Y2085 HydrophobicContact CD1-CD1 3.84Å; I2035-Y2085 HydrophobicContact CD1-CD2 3.79Å; I2035-Y2085 HydrophobicContact CD1-CE1 4.37Å; I2035-Y2085 HydrophobicContact CD1-CE2 4.33Å; I2035-Y2085 HydrophobicContact CD1-CG 3.52Å; L2044-Y2085 HydrophobicContact CD2-CD1 3.81Å; L2044-Y2085 HydrophobicContact CD2-CE1 4.17Å; D2045-Y2085 WeakPolarHBondContact OD1-CE1 3.45Å; D2045-Y2085 PolarHBondContact OD1-OH 3.21Å; D2045-Y2085 PolarHBondContact OD2-OH 3.04Å; S2081-Y2085 WeakPolarHBondContact O-CB 3.41Å; S2081-Y2085 PolarHBondContact O-N 3.36Å; I2082-Y2085 PolarHBondContact O-N 3.22Å; V2083-Y2085 PolarHBondContact O-N 3.38Å; Y2085-G2087 VanDerWaalsContact C-N 3.32Å; Y2085-G2087 PolarHBondContact O-N 3.24Å; Y2085-I2088 PolarHBondContact O-N 3.03Å; Y2085-R2089 HydrophobicContact CD1-CG 4.16Å; Y2085-R2089 HydrophobicContact CE1-CG 3.89Å; Y2085-R2089 WeakPolarHBondContact O-CB 3.46Å; Y2085-R2089 WeakPolarHBondContact O-CG 3.39Å; Y2085-R2089 PolarHBondContact O-N 2.84Å; Y2085-R2089 PolarHBondContact OH-NE 3.4Å; Y2085-R2089 PolarHBondContact OH-NH2 2.89Å |
| 2086 | V | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 110 | L2044 L2048 I2082 R2089 A2090 H2111 I2114 F2115 | L2044-V2086 HydrophobicContact CD1-CG2 4.07Å; L2044-V2086 HydrophobicContact CD2-CG2 4.48Å; L2048-V2086 HydrophobicContact CD1-CG2 4.46Å; I2082-V2086 HydrophobicContact CG2-CG2 4.06Å; I2082-V2086 WeakPolarHBondContact O-CB 3.28Å; I2082-V2086 VanDerWaalsContact O-CG2 3.29Å; I2082-V2086 WeakPolarHBondContact O-CG2 3.41Å; I2082-V2086 PolarHBondContact O-N 3.06Å; V2086-R2089 PolarHBondContact O-N 3.39Å; V2086-A2090 WeakPolarHBondContact O-CB 3.32Å; V2086-A2090 PolarHBondContact O-N 2.89Å; V2086-H2111 HydrophobicContact CG1-CB 3.78Å; V2086-H2111 PolarHBondContact O-CD2 3.29Å; V2086-I2114 HydrophobicContact CG1-CD1 4.45Å; V2086-I2114 HydrophobicContact CG2-CD1 4.07Å; V2086-F2115 HydrophobicContact CB-CE1 4.02Å; V2086-F2115 HydrophobicContact CB-CZ 3.75Å; V2086-F2115 HydrophobicContact CG1-CE1 3.86Å; V2086-F2115 HydrophobicContact CG1-CE2 3.88Å; V2086-F2115 HydrophobicContact CG1-CZ 3.46Å; V2086-F2115 VanDerWaalsContact CG1-CZ 3.46Å |
| 2087 | G | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | V2083 I2084 Y2085 R2089 A2090 I2091 | V2083-G2087 PolarHBondContact O-N 3.42Å; V2083-G2087 VanDerWaalsContact O-N 3.08Å; I2084-G2087 PolarHBondContact O-N 3.45Å; Y2085-G2087 VanDerWaalsContact C-N 3.32Å; Y2085-G2087 PolarHBondContact O-N 3.24Å; G2087-R2089 VanDerWaalsContact C-N 3.29Å; G2087-R2089 PolarHBondContact O-N 2.65Å; G2087-A2090 PolarHBondContact O-N 3.31Å; G2087-A2090 VanDerWaalsContact O-N 3.16Å; G2087-I2091 WeakPolarHBondContact O-CB 3.42Å; G2087-I2091 WeakPolarHBondContact O-CD1 3.31Å; G2087-I2091 VanDerWaalsContact O-CG1 3.24Å; G2087-I2091 WeakPolarHBondContact O-CG1 3.37Å; G2087-I2091 PolarHBondContact O-N 3.02Å |
| 2088 | I | 93.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 38 Ų | 38 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 175.4 | -71.1 | 163.1 | 0 | 0 | 0 | 111.4 | I2084 Y2085 K2092 H2144 | I2084-I2088 HydrophobicContact CG1-CD1 4.02Å; I2084-I2088 WeakPolarHBondContact O-CB 3.38Å; I2084-I2088 WeakPolarHBondContact O-CD1 3.4Å; I2084-I2088 VanDerWaalsContact O-CG1 3.23Å; I2084-I2088 WeakPolarHBondContact O-CG1 3.42Å; I2084-I2088 PolarHBondContact O-N 3.1Å; Y2085-I2088 PolarHBondContact O-N 3.03Å; I2088-K2092 HydrophobicContact CG2-CD 4.34Å; I2088-K2092 WeakPolarHBondContact O-CB 3.11Å; I2088-K2092 WeakPolarHBondContact O-CG 3.31Å; I2088-K2092 PolarHBondContact O-N 2.77Å; I2088-H2144 VanDerWaalsContact CG1-CE1 3.48Å; I2088-H2144 WeakPolarHBondContact CG1-CE1 3.46Å |
| 2089 | R | 93.5 | Very high | 91.3 | Very high | 103 Ų | 103 | 42.1 Ų | 42.1 | 39% | 0.389 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 174 | -77.1 | -74.2 | -162.1 | 170.8 | 5.2 | 111.5 | D2045 L2048 Y2085 V2086 G2087 K2092 S2093 | D2045-R2089 IonicContact OD1-CZ 2.69Å; D2045-R2089 IonicContact OD1-NE 3.18Å; D2045-R2089 PolarHBondContact OD1-NE 3.32Å; D2045-R2089 IonicContact OD1-NH2 3.42Å; D2045-R2089 PolarHBondContact OD1-NH2 3.42Å; D2045-R2089 IonicContact OD2-NH2 2.63Å; D2045-R2089 PolarHBondContact OD2-NH2 2.96Å; L2048-R2089 HydrophobicContact CD1-CB 4.14Å; L2048-R2089 HydrophobicContact CD1-CG 3.96Å; Y2085-R2089 HydrophobicContact CD1-CG 4.16Å; Y2085-R2089 HydrophobicContact CE1-CG 3.89Å; Y2085-R2089 WeakPolarHBondContact O-CB 3.46Å; Y2085-R2089 WeakPolarHBondContact O-CG 3.39Å; Y2085-R2089 PolarHBondContact O-N 2.84Å; Y2085-R2089 PolarHBondContact OH-NE 3.4Å; Y2085-R2089 PolarHBondContact OH-NH2 2.89Å; V2086-R2089 PolarHBondContact O-N 3.39Å; G2087-R2089 VanDerWaalsContact C-N 3.29Å; G2087-R2089 PolarHBondContact O-N 2.65Å; R2089-K2092 PolarHBondContact O-N 3.12Å; R2089-S2093 WeakPolarHBondContact O-CB 3.39Å; R2089-S2093 PolarHBondContact O-N 2.73Å |
| 2090 | A | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2086 G2087 K2092 S2093 I2094 H2111 Y2147 | V2086-A2090 WeakPolarHBondContact O-CB 3.32Å; V2086-A2090 PolarHBondContact O-N 2.89Å; G2087-A2090 PolarHBondContact O-N 3.31Å; G2087-A2090 VanDerWaalsContact O-N 3.16Å; A2090-K2092 VanDerWaalsContact C-N 3.31Å; A2090-K2092 PolarHBondContact O-N 3.23Å; A2090-S2093 CarbonylContact O-C 3.27Å; A2090-S2093 WeakPolarHBondContact O-CA 3.35Å; A2090-S2093 WeakPolarHBondContact O-CB 3.43Å; A2090-S2093 PolarHBondContact O-N 3.19Å; A2090-I2094 WeakPolarHBondContact O-CG1 3.2Å; A2090-I2094 PolarHBondContact O-N 3.12Å; A2090-H2111 HydrophobicContact CB-CB 3.75Å; A2090-H2111 VanDerWaalsContact CB-CG 3.5Å; A2090-H2111 PolarHBondContact N-CD2 2.74Å; A2090-H2111 PolarHBondContact N-NE2 3.43Å; A2090-Y2147 HydrophobicContact CB-CD2 4.35Å; A2090-Y2147 HydrophobicContact CB-CE1 4.25Å; A2090-Y2147 HydrophobicContact CB-CE2 3.42Å; A2090-Y2147 VanDerWaalsContact CB-CE2 3.42Å; A2090-Y2147 WeakPolarHBondContact CB-OH 3.47Å |
| 2091 | I | 92.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | 177.7 | -67.4 | 163.4 | 0 | 0 | 0 | 110.1 | G2087 S2093 I2094 Q2095 H2144 Y2147 | G2087-I2091 WeakPolarHBondContact O-CB 3.42Å; G2087-I2091 WeakPolarHBondContact O-CD1 3.31Å; G2087-I2091 VanDerWaalsContact O-CG1 3.24Å; G2087-I2091 WeakPolarHBondContact O-CG1 3.37Å; G2087-I2091 PolarHBondContact O-N 3.02Å; I2091-S2093 PolarHBondContact O-N 2.93Å; I2091-I2094 PolarHBondContact O-N 3.39Å; I2091-Q2095 HydrophobicContact CG2-CG 4.3Å; I2091-Q2095 WeakPolarHBondContact O-CB 3.32Å; I2091-Q2095 VanDerWaalsContact O-CG 3.29Å; I2091-Q2095 WeakPolarHBondContact O-CG 3.27Å; I2091-Q2095 PolarHBondContact O-N 3.35Å; I2091-H2144 HydrophobicContact CD1-CB 4.41Å; I2091-Y2147 HydrophobicContact CD1-CD1 4.34Å; I2091-Y2147 HydrophobicContact CD1-CG 4Å; I2091-Y2147 HydrophobicContact CG1-CD1 4.33Å; I2091-Y2147 HydrophobicContact CG1-CD2 3.9Å; I2091-Y2147 HydrophobicContact CG1-CG 3.69Å |
| 2092 | K | 91.2 | Very high | 89.8 | Confident | 126 Ų | 126 | 48.8 Ų | 48.8 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 173.9 | -73.9 | 177 | 177.9 | -178.5 | 0 | 113 | I2088 R2089 A2090 I2094 A2096 | I2088-K2092 HydrophobicContact CG2-CD 4.34Å; I2088-K2092 WeakPolarHBondContact O-CB 3.11Å; I2088-K2092 WeakPolarHBondContact O-CG 3.31Å; I2088-K2092 PolarHBondContact O-N 2.77Å; R2089-K2092 PolarHBondContact O-N 3.12Å; A2090-K2092 VanDerWaalsContact C-N 3.31Å; A2090-K2092 PolarHBondContact O-N 3.23Å; K2092-I2094 VanDerWaalsContact C-N 3.32Å; K2092-A2096 WeakPolarHBondContact O-CB 3.29Å; K2092-A2096 PolarHBondContact O-N 2.87Å |
| 2093 | S | 90.6 | Very high | 89.5 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.7 | -27.2 | 176.9 | -171 | 0 | 0 | 0 | 0 | 113.5 | R2089 A2090 I2091 K2097 | R2089-S2093 WeakPolarHBondContact O-CB 3.39Å; R2089-S2093 PolarHBondContact O-N 2.73Å; A2090-S2093 CarbonylContact O-C 3.27Å; A2090-S2093 WeakPolarHBondContact O-CA 3.35Å; A2090-S2093 WeakPolarHBondContact O-CB 3.43Å; A2090-S2093 PolarHBondContact O-N 3.19Å; I2091-S2093 PolarHBondContact O-N 2.93Å; S2093-K2097 WeakPolarHBondContact O-CD 3.33Å; S2093-K2097 WeakPolarHBondContact O-CE 3.02Å; S2093-K2097 WeakPolarHBondContact O-CG 3.47Å |
| 2094 | I | 90.5 | Very high | 89 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.5 | -46.8 | 175.6 | -68 | 165 | 0 | 0 | 0 | 110.2 | A2090 I2091 K2092 A2096 K2097 L2099 A2105 I2106 Y2147 | A2090-I2094 WeakPolarHBondContact O-CG1 3.2Å; A2090-I2094 PolarHBondContact O-N 3.12Å; I2091-I2094 PolarHBondContact O-N 3.39Å; K2092-I2094 VanDerWaalsContact C-N 3.32Å; I2094-A2096 VanDerWaalsContact C-N 3.29Å; I2094-A2096 PolarHBondContact O-N 3.27Å; I2094-K2097 WeakPolarHBondContact O-CB 3.24Å; I2094-K2097 PolarHBondContact O-N 2.98Å; I2094-L2099 HydrophobicContact CG2-CB 3.8Å; I2094-L2099 WeakPolarHBondContact CG2-O 3.16Å; I2094-L2099 PolarHBondContact O-N 3.14Å; I2094-A2105 HydrophobicContact CG2-CB 4.37Å; I2094-I2106 HydrophobicContact CD1-CG2 3.88Å; I2094-Y2147 HydrophobicContact CD1-CD2 4.26Å; I2094-Y2147 HydrophobicContact CD1-CE2 4.16Å |
| 2095 | Q | 87.9 | Confident | 88.5 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -36.6 | 174.8 | -74.1 | 172.2 | -19.7 | 0 | 0 | 112.2 | I2091 K2097 D2098 | I2091-Q2095 HydrophobicContact CG2-CG 4.3Å; I2091-Q2095 WeakPolarHBondContact O-CB 3.32Å; I2091-Q2095 VanDerWaalsContact O-CG 3.29Å; I2091-Q2095 WeakPolarHBondContact O-CG 3.27Å; I2091-Q2095 PolarHBondContact O-N 3.35Å; Q2095-K2097 PolarHBondContact O-N 3.44Å; Q2095-D2098 PolarHBondContact O-N 2.93Å |
| 2096 | A | 88.3 | Confident | 88.3 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 72% | 0.719 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 4.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K2092 I2094 | K2092-A2096 WeakPolarHBondContact O-CB 3.29Å; K2092-A2096 PolarHBondContact O-N 2.87Å; I2094-A2096 VanDerWaalsContact C-N 3.29Å; I2094-A2096 PolarHBondContact O-N 3.27Å |
| 2097 | K | 87.4 | Confident | 87.8 | Confident | 133 Ų | 133 | 57.7 Ų | 57.7 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 11.4 | 171.9 | -59.3 | 170.8 | -174.6 | 174.5 | 0 | 112 | S2093 I2094 Q2095 L2099 | S2093-K2097 WeakPolarHBondContact O-CD 3.33Å; S2093-K2097 WeakPolarHBondContact O-CE 3.02Å; S2093-K2097 WeakPolarHBondContact O-CG 3.47Å; I2094-K2097 WeakPolarHBondContact O-CB 3.24Å; I2094-K2097 PolarHBondContact O-N 2.98Å; Q2095-K2097 PolarHBondContact O-N 3.44Å; K2097-L2099 HydrophobicContact CB-CD1 4.07Å; K2097-L2099 HydrophobicContact CB-CG 4.15Å; K2097-L2099 HydrophobicContact CD-CD1 4.35Å; K2097-L2099 PolarHBondContact O-N 3.06Å |
| 2098 | D | 82.6 | Confident | 87.4 | Confident | 162 Ų | 162 | 64 Ų | 64 | 87% | 0.866 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25.6 | -171 | -60.2 | -54.3 | 0 | 0 | 0 | 114.2 | Q2095 | Q2095-D2098 PolarHBondContact O-N 2.93Š|
| 2099 | L | 83.1 | Confident | 87.3 | Confident | 92 Ų | 92 | 63.6 Ų | 63.6 | 48% | 0.482 | 34% | 0.335 | S | S | . | . | trans | -99 | 158.4 | 177.1 | -67.4 | 174 | 0 | 0 | 0 | 111.7 | I2094 K2097 | I2094-L2099 HydrophobicContact CG2-CB 3.8Å; I2094-L2099 WeakPolarHBondContact CG2-O 3.16Å; I2094-L2099 PolarHBondContact O-N 3.14Å; K2097-L2099 HydrophobicContact CB-CD1 4.07Å; K2097-L2099 HydrophobicContact CB-CG 4.15Å; K2097-L2099 HydrophobicContact CD-CD1 4.35Å; K2097-L2099 PolarHBondContact O-N 3.06Å | ||
| 2100 | R | 80.2 | Confident | 87.2 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | trans | -99.8 | 151.3 | 169.9 | -59.9 | -170.4 | -174.8 | -159.1 | -2.8 | 110.5 | E2016 K2017 N2022 N2102 | E2016-R2100 WeakPolarHBondContact O-CD 3.47Å; E2016-R2100 PolarHBondContact O-NH1 3.25Å; K2017-R2100 VanDerWaalsContact C-NH1 3.28Å; K2017-R2100 PolarHBondContact O-NH1 3.01Å; N2022-R2100 PolarHBondContact ND2-NH1 3.5Å; N2022-R2100 VanDerWaalsContact ND2-NH1 3.12Å; N2022-R2100 WeakPolarHBondContact OD1-CD 3.44Å; N2022-R2100 PolarHBondContact OD1-NE 3.23Å; R2100-N2102 PolarHBondContact O-N 3.31Å; R2100-N2102 VanDerWaalsContact O-N 3.17Å | ||
| 2101 | P | 82.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | trans | -63.8 | 112.7 | 173.3 | -21.6 | 34 | 0 | 0 | 0 | 111.9 | L2146 Y2147 | P2101-L2146 HydrophobicContact CB-CD2 4.37Å; P2101-L2146 HydrophobicContact CB-CG 4.32Å; P2101-L2146 WeakPolarHBondContact O-CD2 3.44Å; P2101-L2146 WeakPolarHBondContact O-CG 3.36Å; P2101-Y2147 HydrophobicContact CB-CD2 4.23Å | ||
| 2102 | N | 83.9 | Confident | 87.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | trans | -145.4 | 172.6 | 171.2 | 65.7 | 17.5 | 0 | 0 | 0 | 109.9 | E2016 R2100 S2104 A2105 I2106 | E2016-N2102 VanDerWaalsContact OE1-CB 3.31Å; E2016-N2102 WeakPolarHBondContact OE1-CB 3.47Å; R2100-N2102 PolarHBondContact O-N 3.31Å; R2100-N2102 VanDerWaalsContact O-N 3.17Å; N2102-S2104 VanDerWaalsContact C-N 3.29Å; N2102-S2104 PolarHBondContact O-N 2.99Å; N2102-S2104 PolarHBondContact OD1-OG 3.46Å; N2102-A2105 PolarHBondContact O-N 3.44Å; N2102-A2105 VanDerWaalsContact O-N 3.11Å; N2102-A2105 WeakPolarHBondContact OD1-CB 3.36Å; N2102-A2105 PolarHBondContact OD1-N 3.18Å; N2102-I2106 WeakPolarHBondContact O-CG2 3.49Å; N2102-I2106 PolarHBondContact O-N 3.44Å; N2102-I2106 VanDerWaalsContact O-N 3.08Å | ||
| 2103 | I | 85.1 | Confident | 87.5 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -38.3 | -170.2 | -62.1 | 175.5 | 0 | 0 | 0 | 112.4 | I2106 S2107 C2150 L2153 Y2154 Y2199 | I2103-I2106 WeakPolarHBondContact O-CG1 3.36Å; I2103-S2107 PolarHBondContact O-N 3.31Å; I2103-C2150 HydrophobicContact CG1-CB 4.23Å; I2103-L2153 HydrophobicContact CD1-CB 4.49Å; I2103-Y2154 HydrophobicContact CG2-CD2 4.02Å; I2103-Y2199 VanDerWaalsContact CD1-OH 3.23Å; I2103-Y2199 WeakPolarHBondContact CD1-OH 3.28Å |
| 2104 | S | 84.7 | Confident | 87.7 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 62% | 0.622 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -74.1 | -39.6 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | N2102 I2106 S2107 | N2102-S2104 VanDerWaalsContact C-N 3.29Å; N2102-S2104 PolarHBondContact O-N 2.99Å; N2102-S2104 PolarHBondContact OD1-OG 3.46Å; S2104-I2106 PolarHBondContact O-N 3.31Å; S2104-S2107 PolarHBondContact O-N 3.45Å; S2104-S2107 PolarHBondContact O-OG 2.96Å |
| 2105 | A | 85.4 | Confident | 88 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 21% | 0.207 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.3 | -23.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I2094 N2102 | I2094-A2105 HydrophobicContact CG2-CB 4.37Å; N2102-A2105 PolarHBondContact O-N 3.44Å; N2102-A2105 VanDerWaalsContact O-N 3.11Å; N2102-A2105 WeakPolarHBondContact OD1-CB 3.36Å; N2102-A2105 PolarHBondContact OD1-N 3.18Å |
| 2106 | I | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -85 | -26.2 | 175.1 | 66.8 | -179.5 | 0 | 0 | 0 | 113.1 | I2094 N2102 I2103 S2104 S2109 M2112 Y2147 C2150 | I2094-I2106 HydrophobicContact CD1-CG2 3.88Å; N2102-I2106 WeakPolarHBondContact O-CG2 3.49Å; N2102-I2106 PolarHBondContact O-N 3.44Å; N2102-I2106 VanDerWaalsContact O-N 3.08Å; I2103-I2106 WeakPolarHBondContact O-CG1 3.36Å; S2104-I2106 PolarHBondContact O-N 3.31Å; I2106-S2109 PolarHBondContact O-OG 2.94Å; I2106-M2112 HydrophobicContact CB-CE 4Å; I2106-M2112 HydrophobicContact CD1-CE 3.63Å; I2106-M2112 HydrophobicContact CG1-CE 3.77Å; I2106-Y2147 HydrophobicContact CB-CE2 4.22Å; I2106-Y2147 HydrophobicContact CG2-CD2 3.64Å; I2106-Y2147 HydrophobicContact CG2-CE2 3.45Å; I2106-Y2147 VanDerWaalsContact CG2-CE2 3.45Å; I2106-C2150 HydrophobicContact CD1-CB 3.84Å; I2106-C2150 WeakPolarHBondContact CD1-O 3.37Å |
| 2107 | S | 84.4 | Confident | 88.5 | Confident | 29 Ų | 29 | 50 Ų | 50 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 153.7 | -174.9 | 74.2 | 0 | 0 | 0 | 0 | 113.7 | I2103 S2104 S2109 | I2103-S2107 PolarHBondContact O-N 3.31Å; S2104-S2107 PolarHBondContact O-N 3.45Å; S2104-S2107 PolarHBondContact O-OG 2.96Å; S2107-S2109 PolarHBondContact O-N 3.03Å |
| 2108 | H | 85 | Confident | 88.9 | Confident | 133 Ų | 133 | 43.7 Ų | 43.7 | 62% | 0.616 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 24.7 | 172.5 | -50.3 | -62.1 | 0 | 0 | 0 | 116.1 | R2051 | R2051-H2108 VanDerWaalsContact CZ-O 3.29Å; R2051-H2108 PolarHBondContact NH1-O 2.89Å; R2051-H2108 VanDerWaalsContact NH2-C 3.34Å; R2051-H2108 PolarHBondContact NH2-O 3.36Å |
| 2109 | S | 91.2 | Very high | 89.4 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -104.1 | 153.1 | -178.2 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | I2106 S2107 H2111 M2112 D2113 | I2106-S2109 PolarHBondContact O-OG 2.94Å; S2107-S2109 PolarHBondContact O-N 3.03Å; S2109-H2111 PolarHBondContact O-N 3.37Å; S2109-M2112 WeakPolarHBondContact O-CA 3.3Å; S2109-M2112 PolarHBondContact O-N 3.36Å; S2109-M2112 PolarHBondContact OG-N 3.44Å; S2109-D2113 PolarHBondContact O-N 2.71Å |
| 2110 | A | 91.9 | Very high | 89.9 | Confident | 15 Ų | 15 | 37 Ų | 37 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.5 | -20.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y2047 R2051 D2113 I2114 | Y2047-A2110 HydrophobicContact CE1-CB 4.34Å; R2051-A2110 HydrophobicContact CG-CB 4.17Å; A2110-D2113 WeakPolarHBondContact CA-OD2 3.45Å; A2110-I2114 WeakPolarHBondContact O-CG1 3.49Å |
| 2111 | H | 94.3 | Very high | 90.4 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.4 | -40.8 | 172.2 | -48.5 | 93.3 | 0 | 0 | 0 | 111.6 | L2048 V2086 A2090 S2109 | L2048-H2111 HydrophobicContact CD2-CB 4.45Å; L2048-H2111 VanDerWaalsContact CD2-CD2 3.48Å; L2048-H2111 WeakPolarHBondContact CD2-CD2 3.43Å; V2086-H2111 HydrophobicContact CG1-CB 3.78Å; V2086-H2111 PolarHBondContact O-CD2 3.29Å; A2090-H2111 HydrophobicContact CB-CB 3.75Å; A2090-H2111 VanDerWaalsContact CB-CG 3.5Å; A2090-H2111 PolarHBondContact N-CD2 2.74Å; A2090-H2111 PolarHBondContact N-NE2 3.43Å; S2109-H2111 PolarHBondContact O-N 3.37Å |
| 2112 | M | 95 | Very high | 91 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.8 | -34.5 | 179.8 | -170.5 | 56.3 | 73.7 | 0 | 0 | 112.1 | I2106 S2109 I2114 F2115 Q2116 T2151 Y2154 L2155 | I2106-M2112 HydrophobicContact CB-CE 4Å; I2106-M2112 HydrophobicContact CD1-CE 3.63Å; I2106-M2112 HydrophobicContact CG1-CE 3.77Å; S2109-M2112 WeakPolarHBondContact O-CA 3.3Å; S2109-M2112 PolarHBondContact O-N 3.36Å; S2109-M2112 PolarHBondContact OG-N 3.44Å; M2112-I2114 PolarHBondContact O-N 3.03Å; M2112-F2115 PolarHBondContact O-N 2.88Å; M2112-F2115 HydrophobicContact SD-CB 4.11Å; M2112-F2115 HydrophobicContact SD-CD2 4.35Å; M2112-Q2116 HydrophobicContact CG-CG 4.17Å; M2112-Q2116 PolarHBondContact O-N 3.24Å; M2112-Q2116 HydrophobicContact SD-CG 4.34Å; M2112-T2151 HydrophobicContact CE-CG2 4.06Å; M2112-T2151 HydrophobicContact SD-CG2 4.45Å; M2112-Y2154 HydrophobicContact CE-CD1 3.61Å; M2112-Y2154 HydrophobicContact CE-CE1 4.11Å; M2112-Y2154 HydrophobicContact CE-CG 4.32Å; M2112-Y2154 HydrophobicContact CG-CD1 3.88Å; M2112-Y2154 HydrophobicContact CG-CE1 3.4Å; M2112-Y2154 HydrophobicContact SD-CD1 3.5Å; M2112-Y2154 VanDerWaalsContact SD-CD1 3.5Å; M2112-Y2154 HydrophobicContact SD-CE1 3.69Å; M2112-L2155 HydrophobicContact SD-CD2 4.46Å |
| 2113 | D | 93.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.5 | -41 | 173.3 | -59.8 | -16.2 | 0 | 0 | 0 | 111.5 | Y2047 R2051 L2057 S2109 A2110 N2117 | Y2047-D2113 HydrophobicContact CE1-CB 4.2Å; Y2047-D2113 PolarHBondContact OH-OD2 3.34Å; R2051-D2113 IonicContact CZ-OD1 2.74Å; R2051-D2113 IonicContact CZ-OD2 2.91Å; R2051-D2113 IonicContact NE-OD1 2.69Å; R2051-D2113 IonicContact NE-OD2 3.76Å; R2051-D2113 PolarHBondContact NE-OD2 2.8Å; R2051-D2113 IonicContact NH2-OD1 3.98Å; R2051-D2113 PolarHBondContact NH2-OD1 2.77Å; R2051-D2113 IonicContact NH2-OD2 2.69Å; R2051-D2113 PolarHBondContact NH2-OD2 3.08Å; L2057-D2113 HydrophobicContact CD1-CB 4.44Å; S2109-D2113 PolarHBondContact O-N 2.71Å; A2110-D2113 WeakPolarHBondContact CA-OD2 3.45Å; D2113-N2117 VanDerWaalsContact O-CB 3.23Å; D2113-N2117 WeakPolarHBondContact O-CB 3.35Å; D2113-N2117 PolarHBondContact O-N 3.23Å |
| 2114 | I | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 176.2 | -64.5 | 167.8 | 0 | 0 | 0 | 110.9 | L2044 Y2047 L2048 L2057 L2060 V2086 A2110 M2112 N2117 L2118 | L2044-I2114 HydrophobicContact CD1-CD1 3.63Å; Y2047-I2114 HydrophobicContact CD1-CD1 4.06Å; Y2047-I2114 HydrophobicContact CD1-CG1 4.04Å; Y2047-I2114 HydrophobicContact CE1-CD1 4.48Å; Y2047-I2114 HydrophobicContact CE1-CG1 4.04Å; L2048-I2114 HydrophobicContact CD2-CD1 3.61Å; L2048-I2114 HydrophobicContact CG-CD1 4.18Å; L2057-I2114 HydrophobicContact CD2-CG1 3.97Å; L2060-I2114 HydrophobicContact CD2-CG2 3.93Å; V2086-I2114 HydrophobicContact CG1-CD1 4.45Å; V2086-I2114 HydrophobicContact CG2-CD1 4.07Å; A2110-I2114 WeakPolarHBondContact O-CG1 3.49Å; M2112-I2114 PolarHBondContact O-N 3.03Å; I2114-N2117 PolarHBondContact O-N 3.17Å; I2114-L2118 HydrophobicContact CG2-CD1 3.88Å; I2114-L2118 HydrophobicContact CG2-CG 4.48Å; I2114-L2118 WeakPolarHBondContact O-CB 3.42Å; I2114-L2118 VanDerWaalsContact O-CG 3.26Å; I2114-L2118 WeakPolarHBondContact O-CG 3.44Å; I2114-L2118 PolarHBondContact O-N 3.05Å |
| 2115 | F | 96 | Very high | 92 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.3 | -38.6 | -178.5 | -65.7 | -31.4 | 0 | 0 | 0 | 113 | V2083 V2086 M2112 L2118 A2119 F2130 Y2147 F2148 T2151 L2155 | V2083-F2115 HydrophobicContact CB-CE1 4.39Å; V2083-F2115 HydrophobicContact CG1-CE1 4.23Å; V2083-F2115 HydrophobicContact CG1-CZ 4.47Å; V2083-F2115 HydrophobicContact CG2-CE1 4.11Å; V2086-F2115 HydrophobicContact CB-CE1 4.02Å; V2086-F2115 HydrophobicContact CB-CZ 3.75Å; V2086-F2115 HydrophobicContact CG1-CE1 3.86Å; V2086-F2115 HydrophobicContact CG1-CE2 3.88Å; V2086-F2115 HydrophobicContact CG1-CZ 3.46Å; V2086-F2115 VanDerWaalsContact CG1-CZ 3.46Å; M2112-F2115 PolarHBondContact O-N 2.88Å; M2112-F2115 HydrophobicContact SD-CB 4.11Å; M2112-F2115 HydrophobicContact SD-CD2 4.35Å; F2115-L2118 HydrophobicContact CD1-CD1 4.46Å; F2115-L2118 PolarHBondContact O-N 2.62Å; F2115-A2119 WeakPolarHBondContact O-CB 3.32Å; F2115-A2119 PolarHBondContact O-N 3.05Å; F2115-F2130 HydrophobicContact CB-CZ 4.01Å; F2115-F2130 AromaticContact CD1-CE2 3.78Å; F2115-F2130 HydrophobicContact CD1-CE2 3.78Å; F2115-F2130 AromaticContact CD1-CZ 3.96Å; F2115-F2130 HydrophobicContact CD1-CZ 3.96Å; F2115-F2130 HydrophobicContact CE1-CE2 4.41Å; F2115-F2130 HydrophobicContact CG-CZ 4.31Å; F2115-Y2147 AromaticContact CE2-CE1 3.97Å; F2115-Y2147 HydrophobicContact CE2-CE1 3.97Å; F2115-Y2147 WeakPolarHBondContact CE2-OH 3.43Å; F2115-F2148 HydrophobicContact CE2-CE1 4.45Å; F2115-F2148 HydrophobicContact CZ-CE1 4.1Å; F2115-T2151 HydrophobicContact CD2-CG2 3.76Å; F2115-T2151 HydrophobicContact CE2-CG2 4.22Å; F2115-T2151 HydrophobicContact CG-CG2 4.43Å; F2115-L2155 HydrophobicContact CB-CD1 4.4Å |
| 2116 | Q | 94.1 | Very high | 92.4 | Very high | 53 Ų | 53 | 31.2 Ų | 31.2 | 25% | 0.248 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 172.4 | -71.3 | 179.6 | -63.3 | 0 | 0 | 111 | M2112 A2119 V2120 Y2154 L2155 | M2112-Q2116 HydrophobicContact CG-CG 4.17Å; M2112-Q2116 PolarHBondContact O-N 3.24Å; M2112-Q2116 HydrophobicContact SD-CG 4.34Å; Q2116-A2119 PolarHBondContact O-N 2.95Å; Q2116-V2120 WeakPolarHBondContact O-CG2 3.45Å; Q2116-V2120 PolarHBondContact O-N 3.08Å; Q2116-V2120 VanDerWaalsContact O-N 3.15Å; Q2116-Y2154 HydrophobicContact CG-CE1 4.42Å; Q2116-L2155 HydrophobicContact CG-CD2 3.86Å |
| 2117 | N | 93.5 | Very high | 92.6 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 174.6 | -170.8 | 89.5 | 0 | 0 | 0 | 112 | L2057 D2113 I2114 A2119 V2120 D2121 | L2057-N2117 HydrophobicContact CB-CB 4.48Å; L2057-N2117 HydrophobicContact CD1-CB 4.41Å; L2057-N2117 HydrophobicContact CD2-CB 4.15Å; L2057-N2117 PolarHBondContact O-ND2 3.33Å; D2113-N2117 VanDerWaalsContact O-CB 3.23Å; D2113-N2117 WeakPolarHBondContact O-CB 3.35Å; D2113-N2117 PolarHBondContact O-N 3.23Å; I2114-N2117 PolarHBondContact O-N 3.17Å; N2117-A2119 VanDerWaalsContact C-N 3.32Å; N2117-A2119 PolarHBondContact O-N 3.38Å; N2117-V2120 PolarHBondContact O-N 3.36Å; N2117-D2121 WeakPolarHBondContact O-CB 3.15Å; N2117-D2121 PolarHBondContact O-N 3.34Å |
| 2118 | L | 94.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 175.5 | -70.5 | 167.7 | 0 | 0 | 0 | 112.7 | L2060 L2064 I2114 F2115 V2120 L2122 F2130 | L2060-L2118 HydrophobicContact CD2-CD1 4.27Å; L2060-L2118 HydrophobicContact CD2-CD2 3.68Å; L2060-L2118 HydrophobicContact CD2-CG 3.81Å; L2060-L2118 HydrophobicContact CG-CD2 3.99Å; L2064-L2118 HydrophobicContact CD1-CD2 3.56Å; I2114-L2118 HydrophobicContact CG2-CD1 3.88Å; I2114-L2118 HydrophobicContact CG2-CG 4.48Å; I2114-L2118 WeakPolarHBondContact O-CB 3.42Å; I2114-L2118 VanDerWaalsContact O-CG 3.26Å; I2114-L2118 WeakPolarHBondContact O-CG 3.44Å; I2114-L2118 PolarHBondContact O-N 3.05Å; F2115-L2118 HydrophobicContact CD1-CD1 4.46Å; F2115-L2118 PolarHBondContact O-N 2.62Å; L2118-V2120 VanDerWaalsContact C-N 3.3Å; L2118-V2120 PolarHBondContact O-N 3.38Å; L2118-L2122 HydrophobicContact CB-CD1 4.23Å; L2118-L2122 HydrophobicContact CD2-CD1 3.83Å; L2118-L2122 HydrophobicContact CD2-CD2 4.45Å; L2118-L2122 HydrophobicContact CD2-CG 4.17Å; L2118-L2122 WeakPolarHBondContact O-CB 3.49Å; L2118-L2122 WeakPolarHBondContact O-CD1 3.5Å; L2118-L2122 WeakPolarHBondContact O-CG 3.19Å; L2118-F2130 HydrophobicContact CB-CD1 4.19Å; L2118-F2130 HydrophobicContact CB-CD2 4Å; L2118-F2130 HydrophobicContact CB-CE1 4.02Å; L2118-F2130 HydrophobicContact CB-CE2 3.83Å; L2118-F2130 HydrophobicContact CB-CG 4.17Å; L2118-F2130 HydrophobicContact CB-CZ 3.84Å; L2118-F2130 HydrophobicContact CD1-CD2 3.93Å; L2118-F2130 HydrophobicContact CD1-CE2 3.66Å; L2118-F2130 HydrophobicContact CD1-CZ 4.36Å; L2118-F2130 HydrophobicContact CG-CE2 4.4Å |
| 2119 | A | 94.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.9 | -22.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F2115 Q2116 N2117 R2127 F2130 F2131 L2155 I2164 | F2115-A2119 WeakPolarHBondContact O-CB 3.32Å; F2115-A2119 PolarHBondContact O-N 3.05Å; Q2116-A2119 PolarHBondContact O-N 2.95Å; N2117-A2119 VanDerWaalsContact C-N 3.32Å; N2117-A2119 PolarHBondContact O-N 3.38Å; A2119-R2127 WeakPolarHBondContact O-CD 3.34Å; A2119-F2130 HydrophobicContact CB-CE1 4.09Å; A2119-F2131 HydrophobicContact CB-CE1 4.48Å; A2119-F2131 HydrophobicContact CB-CZ 4.41Å; A2119-L2155 HydrophobicContact CB-CD2 4.13Å; A2119-I2164 VanDerWaalsContact O-CD1 3.27Å; A2119-I2164 WeakPolarHBondContact O-CD1 3.41Å |
| 2120 | V | 93.2 | Very high | 93.7 | Very high | 109 Ų | 109 | 26.9 Ų | 26.9 | 66% | 0.661 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -105.6 | -44.6 | -175.5 | 174 | 0 | 0 | 0 | 0 | 113 | Q2116 N2117 L2118 I2164 | Q2116-V2120 WeakPolarHBondContact O-CG2 3.45Å; Q2116-V2120 PolarHBondContact O-N 3.08Å; Q2116-V2120 VanDerWaalsContact O-N 3.15Å; N2117-V2120 PolarHBondContact O-N 3.36Å; L2118-V2120 VanDerWaalsContact C-N 3.3Å; L2118-V2120 PolarHBondContact O-N 3.38Å; V2120-I2164 HydrophobicContact CG2-CD1 4.32Å |
| 2121 | D | 91.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 26.1 Ų | 26.1 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -84.9 | -25.4 | -172.5 | 178.9 | 42.5 | 0 | 0 | 0 | 113.7 | R2061 N2117 | R2061-D2121 WeakPolarHBondContact CB-OD2 3.48Å; R2061-D2121 VanDerWaalsContact CD-O 3.31Å; R2061-D2121 WeakPolarHBondContact CD-O 3.37Å; R2061-D2121 WeakPolarHBondContact CD-OD2 3.48Å; R2061-D2121 PolarHBondContact NH1-O 2.91Å; R2061-D2121 IonicContact NH1-OD1 3.4Å; N2117-D2121 WeakPolarHBondContact O-CB 3.15Å; N2117-D2121 PolarHBondContact O-N 3.34Å |
| 2122 | L | 93.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -70.9 | 147.7 | 178.4 | -65.9 | -178.4 | 0 | 0 | 0 | 112.3 | R2061 Y2074 L2118 R2127 F2130 | R2061-L2122 HydrophobicContact CB-CD2 4.13Å; R2061-L2122 HydrophobicContact CG-CD2 4.13Å; Y2074-L2122 HydrophobicContact CD1-CD2 4.46Å; Y2074-L2122 HydrophobicContact CE1-CD2 3.66Å; L2118-L2122 HydrophobicContact CB-CD1 4.23Å; L2118-L2122 HydrophobicContact CD2-CD1 3.83Å; L2118-L2122 HydrophobicContact CD2-CD2 4.45Å; L2118-L2122 HydrophobicContact CD2-CG 4.17Å; L2118-L2122 WeakPolarHBondContact O-CB 3.49Å; L2118-L2122 WeakPolarHBondContact O-CD1 3.5Å; L2118-L2122 WeakPolarHBondContact O-CG 3.19Å; L2122-R2127 HydrophobicContact CB-CG 3.7Å; L2122-R2127 WeakPolarHBondContact O-CD 3.06Å; L2122-R2127 WeakPolarHBondContact O-CG 3.5Å; L2122-R2127 PolarHBondContact O-NE 3.17Å; L2122-R2127 VanDerWaalsContact O-NE 3.17Å; L2122-F2130 HydrophobicContact CD1-CB 4.07Å |
| 2123 | D | 92.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 23% | 0.225 | 14% | 0.138 | C | C | . | . | trans | -69.9 | 177.1 | 170.5 | 87 | -5.5 | 0 | 0 | 0 | 111.1 | K2073 Y2074 E2125 G2126 R2127 | K2073-D2123 IonicContact NZ-OD2 2.68Å; K2073-D2123 PolarHBondContact NZ-OD2 3.12Å; Y2074-D2123 WeakPolarHBondContact CE2-OD1 3.48Å; D2123-E2125 PolarHBondContact O-N 3.48Å; D2123-E2125 WeakPolarHBondContact OD1-CA 3.24Å; D2123-E2125 VanDerWaalsContact OD1-CB 3.29Å; D2123-E2125 WeakPolarHBondContact OD1-CB 3.4Å; D2123-E2125 PolarHBondContact OD1-N 2.97Å; D2123-G2126 PolarHBondContact O-N 2.92Å; D2123-G2126 PolarHBondContact OD1-N 3.08Å; D2123-R2127 WeakPolarHBondContact O-CB 3.39Å; D2123-R2127 WeakPolarHBondContact O-CG 3.39Å; D2123-R2127 PolarHBondContact O-N 3.11Å | ||
| 2124 | S | 91.3 | Very high | 94 | Very high | 68 Ų | 68 | 24.3 Ų | 24.3 | 48% | 0.476 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.4 | -22.8 | -178.5 | -57.3 | 0 | 0 | 0 | 0 | 114.5 | R2127 Y2128 Q2167 | S2124-R2127 PolarHBondContact OG-NH2 3.44Å; S2124-R2127 VanDerWaalsContact OG-NH2 3.14Å; S2124-Y2128 VanDerWaalsContact O-CB 3.23Å; S2124-Y2128 WeakPolarHBondContact O-CB 3.32Å; S2124-Y2128 PolarHBondContact O-N 3.35Å; S2124-Q2167 PolarHBondContact OG-NE2 3.01Å |
| 2125 | E | 91.8 | Very high | 94 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 17% | 0.168 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -76.6 | -46.6 | 172.8 | -178.1 | -178.1 | 149.3 | 0 | 0 | 110 | G2071 R2072 K2073 Y2074 D2123 Y2128 L2129 | G2071-E2125 VanDerWaalsContact CA-OE1 3.27Å; G2071-E2125 WeakPolarHBondContact CA-OE1 3.48Å; G2071-E2125 PolarHBondContact N-OE1 3.01Å; G2071-E2125 PolarHBondContact N-OE2 2.74Å; G2071-E2125 VanDerWaalsContact N-OE2 3.08Å; R2072-E2125 PolarHBondContact N-OE1 2.92Å; K2073-E2125 WeakPolarHBondContact CB-OE1 3.27Å; K2073-E2125 WeakPolarHBondContact CD-OE2 3.28Å; K2073-E2125 VanDerWaalsContact CE-OE2 3.24Å; K2073-E2125 WeakPolarHBondContact CE-OE2 3.43Å; K2073-E2125 WeakPolarHBondContact CG-OE1 3.5Å; K2073-E2125 WeakPolarHBondContact CG-OE2 3.4Å; K2073-E2125 PolarHBondContact N-OE1 3.27Å; K2073-E2125 IonicContact NZ-OE2 3.44Å; K2073-E2125 PolarHBondContact NZ-OE2 3.4Å; Y2074-E2125 HydrophobicContact CD2-CG 4.41Å; Y2074-E2125 HydrophobicContact CE2-CB 4.49Å; D2123-E2125 PolarHBondContact O-N 3.48Å; D2123-E2125 WeakPolarHBondContact OD1-CA 3.24Å; D2123-E2125 VanDerWaalsContact OD1-CB 3.29Å; D2123-E2125 WeakPolarHBondContact OD1-CB 3.4Å; D2123-E2125 PolarHBondContact OD1-N 2.97Å; E2125-Y2128 PolarHBondContact O-N 3.07Å; E2125-L2129 HydrophobicContact CG-CD1 4.18Å; E2125-L2129 WeakPolarHBondContact O-CD1 3.07Å; E2125-L2129 VanDerWaalsContact O-CG 3.24Å; E2125-L2129 WeakPolarHBondContact O-CG 3.38Å; E2125-L2129 PolarHBondContact O-N 3.17Å |
| 2126 | G | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2123 L2129 F2130 | D2123-G2126 PolarHBondContact O-N 2.92Å; D2123-G2126 PolarHBondContact OD1-N 3.08Å; G2126-L2129 PolarHBondContact O-N 3.21Å; G2126-F2130 VanDerWaalsContact O-CB 3.28Å; G2126-F2130 WeakPolarHBondContact O-CB 3.29Å; G2126-F2130 PolarHBondContact O-N 2.94Å |
| 2127 | R | 94.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 11% | 0.106 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.1 | -70.7 | -174.5 | -67 | 133.4 | 2.6 | 111.9 | A2119 L2122 D2123 S2124 L2129 F2130 F2131 A2163 Q2167 | A2119-R2127 WeakPolarHBondContact O-CD 3.34Å; L2122-R2127 HydrophobicContact CB-CG 3.7Å; L2122-R2127 WeakPolarHBondContact O-CD 3.06Å; L2122-R2127 WeakPolarHBondContact O-CG 3.5Å; L2122-R2127 PolarHBondContact O-NE 3.17Å; L2122-R2127 VanDerWaalsContact O-NE 3.17Å; D2123-R2127 WeakPolarHBondContact O-CB 3.39Å; D2123-R2127 WeakPolarHBondContact O-CG 3.39Å; D2123-R2127 PolarHBondContact O-N 3.11Å; S2124-R2127 PolarHBondContact OG-NH2 3.44Å; S2124-R2127 VanDerWaalsContact OG-NH2 3.14Å; R2127-L2129 PolarHBondContact O-N 3.19Å; R2127-F2130 WeakPolarHBondContact O-CB 3.23Å; R2127-F2130 PolarHBondContact O-N 3.23Å; R2127-F2131 HydrophobicContact CB-CD2 4.49Å; R2127-F2131 HydrophobicContact CB-CE2 3.94Å; R2127-F2131 WeakPolarHBondContact O-CD2 3.45Å; R2127-F2131 WeakPolarHBondContact O-CG 3.46Å; R2127-F2131 PolarHBondContact O-N 2.97Å; R2127-A2163 PolarHBondContact NH1-O 3.37Å; R2127-Q2167 VanDerWaalsContact CZ-OE1 3.32Å |
| 2128 | Y | 94.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 20.5 Ų | 20.5 | 19% | 0.188 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.1 | -46 | 174.2 | 173.7 | -102.7 | 0 | 0 | 0 | 112.4 | A1986 S2124 E2125 N2132 V2171 E2174 | A1986-Y2128 HydrophobicContact CB-CE1 3.94Å; S2124-Y2128 VanDerWaalsContact O-CB 3.23Å; S2124-Y2128 WeakPolarHBondContact O-CB 3.32Å; S2124-Y2128 PolarHBondContact O-N 3.35Å; E2125-Y2128 PolarHBondContact O-N 3.07Å; Y2128-N2132 WeakPolarHBondContact CE2-ND2 3.41Å; Y2128-N2132 WeakPolarHBondContact O-CB 3.49Å; Y2128-N2132 PolarHBondContact O-N 3.33Å; Y2128-N2132 PolarHBondContact O-ND2 3.33Å; Y2128-V2171 HydrophobicContact CD2-CG2 3.62Å; Y2128-V2171 HydrophobicContact CE2-CG2 3.77Å; Y2128-E2174 WeakPolarHBondContact CE2-OE2 3.38Å; Y2128-E2174 PolarHBondContact OH-OE1 3.17Å; Y2128-E2174 PolarHBondContact OH-OE2 3.22Å |
| 2129 | L | 93.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 13% | 0.126 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.1 | -69.1 | 165.9 | 0 | 0 | 0 | 112 | A1986 Y2074 V2076 L2079 E2125 G2126 R2127 N2132 S2133 | A1986-L2129 HydrophobicContact CB-CD2 4.47Å; Y2074-L2129 HydrophobicContact CD2-CD1 4.31Å; V2076-L2129 HydrophobicContact CG2-CD1 4Å; V2076-L2129 HydrophobicContact CG2-CD2 3.9Å; L2079-L2129 HydrophobicContact CD2-CB 3.84Å; E2125-L2129 HydrophobicContact CG-CD1 4.18Å; E2125-L2129 WeakPolarHBondContact O-CD1 3.07Å; E2125-L2129 VanDerWaalsContact O-CG 3.24Å; E2125-L2129 WeakPolarHBondContact O-CG 3.38Å; E2125-L2129 PolarHBondContact O-N 3.17Å; G2126-L2129 PolarHBondContact O-N 3.21Å; R2127-L2129 PolarHBondContact O-N 3.19Å; L2129-N2132 WeakPolarHBondContact O-CB 3.45Å; L2129-N2132 PolarHBondContact O-N 2.8Å; L2129-S2133 PolarHBondContact O-N 3.36Å |
| 2130 | F | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -51.4 | 177.2 | 168 | -117.1 | 0 | 0 | 0 | 112 | L2079 V2083 F2115 L2118 A2119 L2122 G2126 R2127 N2132 S2133 I2134 L2155 | L2079-F2130 HydrophobicContact CD1-CD2 4.39Å; L2079-F2130 HydrophobicContact CD2-CB 4.33Å; V2083-F2130 HydrophobicContact CG2-CD2 3.82Å; V2083-F2130 HydrophobicContact CG2-CE2 3.82Å; F2115-F2130 HydrophobicContact CB-CZ 4.01Å; F2115-F2130 AromaticContact CD1-CE2 3.78Å; F2115-F2130 HydrophobicContact CD1-CE2 3.78Å; F2115-F2130 AromaticContact CD1-CZ 3.96Å; F2115-F2130 HydrophobicContact CD1-CZ 3.96Å; F2115-F2130 HydrophobicContact CE1-CE2 4.41Å; F2115-F2130 HydrophobicContact CG-CZ 4.31Å; L2118-F2130 HydrophobicContact CB-CD1 4.19Å; L2118-F2130 HydrophobicContact CB-CD2 4Å; L2118-F2130 HydrophobicContact CB-CE1 4.02Å; L2118-F2130 HydrophobicContact CB-CE2 3.83Å; L2118-F2130 HydrophobicContact CB-CG 4.17Å; L2118-F2130 HydrophobicContact CB-CZ 3.84Å; L2118-F2130 HydrophobicContact CD1-CD2 3.93Å; L2118-F2130 HydrophobicContact CD1-CE2 3.66Å; L2118-F2130 HydrophobicContact CD1-CZ 4.36Å; L2118-F2130 HydrophobicContact CG-CE2 4.4Å; A2119-F2130 HydrophobicContact CB-CE1 4.09Å; L2122-F2130 HydrophobicContact CD1-CB 4.07Å; G2126-F2130 VanDerWaalsContact O-CB 3.28Å; G2126-F2130 WeakPolarHBondContact O-CB 3.29Å; G2126-F2130 PolarHBondContact O-N 2.94Å; R2127-F2130 WeakPolarHBondContact O-CB 3.23Å; R2127-F2130 PolarHBondContact O-N 3.23Å; F2130-N2132 VanDerWaalsContact C-N 3.29Å; F2130-N2132 PolarHBondContact O-N 3.08Å; F2130-S2133 WeakPolarHBondContact O-CB 3.42Å; F2130-S2133 PolarHBondContact O-N 3.2Å; F2130-S2133 PolarHBondContact O-OG 3.12Å; F2130-I2134 HydrophobicContact CD2-CD1 4.4Å; F2130-I2134 HydrophobicContact CE1-CD1 4Å; F2130-I2134 HydrophobicContact CE2-CD1 3.81Å; F2130-I2134 HydrophobicContact CE2-CG1 4.3Å; F2130-I2134 HydrophobicContact CZ-CD1 3.59Å; F2130-I2134 PolarHBondContact O-N 3.45Å; F2130-I2134 VanDerWaalsContact O-N 3.17Å; F2130-L2155 HydrophobicContact CE1-CD1 4.18Å; F2130-L2155 HydrophobicContact CZ-CD1 4.24Å |
| 2131 | F | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 175.3 | -58.8 | -48 | 0 | 0 | 0 | 111.6 | A2119 R2127 S2133 I2134 V2135 L2152 I2164 Q2167 I2168 V2171 | A2119-F2131 HydrophobicContact CB-CE1 4.48Å; A2119-F2131 HydrophobicContact CB-CZ 4.41Å; R2127-F2131 HydrophobicContact CB-CD2 4.49Å; R2127-F2131 HydrophobicContact CB-CE2 3.94Å; R2127-F2131 WeakPolarHBondContact O-CD2 3.45Å; R2127-F2131 WeakPolarHBondContact O-CG 3.46Å; R2127-F2131 PolarHBondContact O-N 2.97Å; F2131-S2133 VanDerWaalsContact C-N 3.27Å; F2131-S2133 PolarHBondContact O-N 3.11Å; F2131-I2134 PolarHBondContact O-N 3.28Å; F2131-V2135 WeakPolarHBondContact O-CG2 3.49Å; F2131-V2135 PolarHBondContact O-N 3.47Å; F2131-L2152 HydrophobicContact CD1-CD2 4.4Å; F2131-I2164 HydrophobicContact CZ-CG2 4.04Å; F2131-Q2167 HydrophobicContact CD2-CB 3.99Å; F2131-Q2167 HydrophobicContact CE2-CB 3.81Å; F2131-I2168 HydrophobicContact CD1-CG1 3.83Å; F2131-I2168 HydrophobicContact CD2-CG1 4.27Å; F2131-I2168 HydrophobicContact CE1-CD1 4.02Å; F2131-I2168 HydrophobicContact CE1-CG1 3.67Å; F2131-I2168 HydrophobicContact CE2-CG1 4.13Å; F2131-I2168 HydrophobicContact CG-CG1 4.17Å; F2131-I2168 HydrophobicContact CZ-CD1 4.26Å; F2131-I2168 HydrophobicContact CZ-CG1 3.85Å; F2131-V2171 HydrophobicContact CB-CB 4.23Å; F2131-V2171 HydrophobicContact CB-CG1 4.22Å; F2131-V2171 HydrophobicContact CB-CG2 4.14Å |
| 2132 | N | 94.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60 | -35.8 | 173.2 | -108.6 | -90.1 | 0 | 0 | 0 | 112.7 | R1992 Y2128 L2129 F2130 N2136 V2171 E2174 R2175 | R1992-N2132 PolarHBondContact NH1-OD1 3.01Å; Y2128-N2132 WeakPolarHBondContact CE2-ND2 3.41Å; Y2128-N2132 WeakPolarHBondContact O-CB 3.49Å; Y2128-N2132 PolarHBondContact O-N 3.33Å; Y2128-N2132 PolarHBondContact O-ND2 3.33Å; L2129-N2132 WeakPolarHBondContact O-CB 3.45Å; L2129-N2132 PolarHBondContact O-N 2.8Å; F2130-N2132 VanDerWaalsContact C-N 3.29Å; F2130-N2132 PolarHBondContact O-N 3.08Å; N2132-N2136 PolarHBondContact O-N 3.04Å; N2132-N2136 VanDerWaalsContact O-N 3.1Å; N2132-N2136 PolarHBondContact O-ND2 2.86Å; N2132-N2136 PolarHBondContact O-OD1 3.21Å; N2132-V2171 HydrophobicContact CB-CG1 4.48Å; N2132-V2171 WeakPolarHBondContact ND2-CG1 3.28Å; N2132-E2174 PolarHBondContact ND2-OE1 3.36Å; N2132-R2175 PolarHBondContact O-NH2 3.19Å; N2132-R2175 PolarHBondContact OD1-NH2 2.7Å |
| 2133 | S | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -70.5 | -33 | 177.8 | 78.9 | 0 | 0 | 0 | 0 | 113.4 | N2080 V2083 L2129 F2130 F2131 Q2137 | N2080-S2133 WeakPolarHBondContact OD1-CB 3.43Å; V2083-S2133 VanDerWaalsContact CG2-OG 3.3Å; V2083-S2133 WeakPolarHBondContact CG2-OG 3.35Å; L2129-S2133 PolarHBondContact O-N 3.36Å; F2130-S2133 WeakPolarHBondContact O-CB 3.42Å; F2130-S2133 PolarHBondContact O-N 3.2Å; F2130-S2133 PolarHBondContact O-OG 3.12Å; F2131-S2133 VanDerWaalsContact C-N 3.27Å; F2131-S2133 PolarHBondContact O-N 3.11Å; S2133-Q2137 PolarHBondContact O-NE2 3Å |
| 2134 | I | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -71.4 | -47 | 171.8 | -61.8 | 169.6 | 0 | 0 | 0 | 110.2 | V2083 F2130 F2131 N2136 Q2137 F2148 L2152 L2155 | V2083-I2134 HydrophobicContact CG1-CG1 3.68Å; F2130-I2134 HydrophobicContact CD2-CD1 4.4Å; F2130-I2134 HydrophobicContact CE1-CD1 4Å; F2130-I2134 HydrophobicContact CE2-CD1 3.81Å; F2130-I2134 HydrophobicContact CE2-CG1 4.3Å; F2130-I2134 HydrophobicContact CZ-CD1 3.59Å; F2130-I2134 PolarHBondContact O-N 3.45Å; F2130-I2134 VanDerWaalsContact O-N 3.17Å; F2131-I2134 PolarHBondContact O-N 3.28Å; I2134-N2136 VanDerWaalsContact C-N 3.25Å; I2134-N2136 PolarHBondContact O-N 3.18Å; I2134-Q2137 VanDerWaalsContact O-CB 3.26Å; I2134-Q2137 WeakPolarHBondContact O-CB 3.23Å; I2134-Q2137 VanDerWaalsContact O-CG 3.31Å; I2134-Q2137 WeakPolarHBondContact O-CG 3.21Å; I2134-Q2137 PolarHBondContact O-N 3.05Å; I2134-F2148 HydrophobicContact CG2-CB 3.85Å; I2134-F2148 HydrophobicContact CG2-CD1 3.79Å; I2134-F2148 HydrophobicContact CG2-CG 4.17Å; I2134-L2152 HydrophobicContact CB-CD1 4.44Å; I2134-L2152 HydrophobicContact CG2-CD1 3.6Å; I2134-L2152 HydrophobicContact CG2-CG 3.78Å; I2134-L2155 HydrophobicContact CD1-CD1 4.13Å |
| 2135 | V | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.006 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -68.1 | -24.3 | -176.2 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | F2131 Q2137 L2138 L2152 V2171 L2172 L2186 | F2131-V2135 WeakPolarHBondContact O-CG2 3.49Å; F2131-V2135 PolarHBondContact O-N 3.47Å; V2135-Q2137 PolarHBondContact O-N 3.14Å; V2135-Q2137 VanDerWaalsContact O-N 3.1Å; V2135-L2138 HydrophobicContact CG1-CD1 4.28Å; V2135-L2138 HydrophobicContact CG2-CD1 4.24Å; V2135-L2138 PolarHBondContact O-N 2.89Å; V2135-L2138 VanDerWaalsContact O-N 3.08Å; V2135-L2152 HydrophobicContact CG2-CD1 3.63Å; V2135-V2171 HydrophobicContact CB-CG1 4.26Å; V2135-V2171 HydrophobicContact CG2-CG1 3.97Å; V2135-L2172 HydrophobicContact CG2-CD2 3.95Å; V2135-L2186 HydrophobicContact CG1-CD1 3.55Å |
| 2136 | N | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 7.2 Ų | 7.2 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.6 | 167.3 | -74.7 | -13.2 | 0 | 0 | 0 | 114 | N2132 I2134 R2175 | N2132-N2136 PolarHBondContact O-N 3.04Å; N2132-N2136 VanDerWaalsContact O-N 3.1Å; N2132-N2136 PolarHBondContact O-ND2 2.86Å; N2132-N2136 PolarHBondContact O-OD1 3.21Å; I2134-N2136 VanDerWaalsContact C-N 3.25Å; I2134-N2136 PolarHBondContact O-N 3.18Å; N2136-R2175 PolarHBondContact OD1-NH1 3.27Å; N2136-R2175 PolarHBondContact OD1-NH2 3.04Å |
| 2137 | Q | 95.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 7.2 Ų | 7.2 | 3% | 0.028 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -6.5 | 179 | -39.7 | -55.1 | -39.5 | 0 | 0 | 113.1 | S2133 I2134 V2135 R2139 T2145 F2148 | S2133-Q2137 PolarHBondContact O-NE2 3Å; I2134-Q2137 VanDerWaalsContact O-CB 3.26Å; I2134-Q2137 WeakPolarHBondContact O-CB 3.23Å; I2134-Q2137 VanDerWaalsContact O-CG 3.31Å; I2134-Q2137 WeakPolarHBondContact O-CG 3.21Å; I2134-Q2137 PolarHBondContact O-N 3.05Å; V2135-Q2137 PolarHBondContact O-N 3.14Å; V2135-Q2137 VanDerWaalsContact O-N 3.1Å; Q2137-R2139 PolarHBondContact O-N 2.95Å; Q2137-T2145 WeakPolarHBondContact O-CA 3.11Å; Q2137-T2145 PolarHBondContact O-OG1 3.47Å; Q2137-F2148 HydrophobicContact CB-CB 4.07Å; Q2137-F2148 HydrophobicContact CB-CD2 3.24Å; Q2137-F2148 HydrophobicContact CB-CE2 3.79Å; Q2137-F2148 HydrophobicContact CB-CG 3.77Å; Q2137-F2148 HydrophobicContact CG-CD1 4.48Å; Q2137-F2148 HydrophobicContact CG-CD2 3.53Å; Q2137-F2148 HydrophobicContact CG-CE2 3.6Å; Q2137-F2148 HydrophobicContact CG-CG 4Å; Q2137-F2148 HydrophobicContact CG-CZ 4.08Å |
| 2138 | L | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.026 | C | C | . | . | trans | -85.9 | 79.2 | 178.3 | -60.6 | -173.9 | 0 | 0 | 0 | 110.6 | V2135 F2148 L2152 L2172 P2183 L2186 T2189 | V2135-L2138 HydrophobicContact CG1-CD1 4.28Å; V2135-L2138 HydrophobicContact CG2-CD1 4.24Å; V2135-L2138 PolarHBondContact O-N 2.89Å; V2135-L2138 VanDerWaalsContact O-N 3.08Å; L2138-F2148 HydrophobicContact CD2-CB 4.16Å; L2138-L2152 HydrophobicContact CD1-CD1 3.79Å; L2138-L2152 HydrophobicContact CG-CD1 4.47Å; L2138-L2172 HydrophobicContact CD1-CD2 4.12Å; L2138-P2183 WeakPolarHBondContact O-CB 3.45Å; L2138-L2186 HydrophobicContact CB-CB 4.47Å; L2138-T2189 HydrophobicContact CD1-CG2 4.31Å | ||
| 2139 | R | 94.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 3.6 Ų | 3.6 | 2% | 0.015 | 2% | 0.017 | C | C | . | . | trans | -109.2 | -129.2 | -170.8 | -55 | -161.5 | -69 | 148.2 | -7.1 | 111.1 | C1974 H1977 I1996 Q2137 T2145 W2184 G2185 | C1974-R2139 PolarHBondContact O-NH1 3.18Å; H1977-R2139 VanDerWaalsContact CE1-CZ 3.41Å; H1977-R2139 PolarHBondContact CE1-NH2 2.99Å; H1977-R2139 VanDerWaalsContact CG-CZ 3.48Å; H1977-R2139 VanDerWaalsContact CG-NH1 3.3Å; H1977-R2139 PolarHBondContact ND1-NH1 2.87Å; H1977-R2139 PolarHBondContact ND1-NH2 2.73Å; I1996-R2139 HydrophobicContact CB-CG 4.05Å; I1996-R2139 HydrophobicContact CG2-CG 4.41Å; Q2137-R2139 PolarHBondContact O-N 2.95Å; R2139-T2145 PolarHBondContact N-OG1 3.25Å; R2139-W2184 PolarHBondContact O-N 3.44Å; R2139-G2185 PolarHBondContact O-N 3.45Å | ||
| 2140 | Y | 93.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 2.5 Ų | 2.5 | 6% | 0.063 | 1% | 0.011 | C | C | . | . | S | Bend | trans | -83 | 174.3 | 174 | 67.8 | -97.1 | 0 | 0 | 0 | 111.8 | P2000 I2003 P2025 N2142 T2145 | P2000-Y2140 HydrophobicContact CG-CE1 4.42Å; P2000-Y2140 HydrophobicContact CG-CE2 4.43Å; I2003-Y2140 HydrophobicContact CD1-CD2 3.6Å; I2003-Y2140 HydrophobicContact CD1-CE2 3.49Å; I2003-Y2140 VanDerWaalsContact CD1-CE2 3.49Å; P2025-Y2140 WeakPolarHBondContact CA-OH 3.48Å; P2025-Y2140 WeakPolarHBondContact CB-OH 3.39Å; Y2140-N2142 HydrophobicContact CD2-CB 4.4Å; Y2140-N2142 HydrophobicContact CE2-CB 3.96Å; Y2140-N2142 PolarHBondContact O-N 2.97Å; Y2140-N2142 PolarHBondContact O-ND2 3.17Å; Y2140-T2145 PolarHBondContact O-OG1 2.96Å |
| 2141 | P | 92.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 2.5 Ų | 2.5 | 1% | 0.013 | 1% | 0.011 | C | C | . | . | S | Bend | trans | -50.9 | 104.7 | 174.3 | -32 | 38 | 0 | 0 | 0 | 114.8 | I2003 L2005 P2006 E2020 M2021 W2184 | I2003-P2141 HydrophobicContact CG2-CB 4.46Å; I2003-P2141 HydrophobicContact CG2-CG 4.37Å; L2005-P2141 VanDerWaalsContact CD2-CD 3.44Å; L2005-P2141 HydrophobicContact CD2-CG 4.17Å; P2006-P2141 HydrophobicContact CG-CG 4.12Å; E2020-P2141 HydrophobicContact CB-CB 3.74Å; M2021-P2141 HydrophobicContact CE-CB 3.55Å; M2021-P2141 HydrophobicContact CE-CG 4.3Å; P2141-W2184 HydrophobicContact CG-CD2 4.01Å; P2141-W2184 HydrophobicContact CG-CE3 3.98Å; P2141-W2184 HydrophobicContact CG-CH2 4.3Å; P2141-W2184 HydrophobicContact CG-CZ2 4.3Å; P2141-W2184 HydrophobicContact CG-CZ3 4.13Å |
| 2142 | N | 93.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 2.6 Ų | 2.6 | 1% | 0.011 | 1% | 0.012 | C | C | . | . | S | Bend | trans | -163 | 166.5 | 176.3 | 74 | 81.6 | 0 | 0 | 0 | 111.8 | E2020 P2025 Y2140 H2144 T2145 L2146 | E2020-N2142 WeakPolarHBondContact O-CA 3.36Å; P2025-N2142 HydrophobicContact CB-CB 4.08Å; P2025-N2142 WeakPolarHBondContact CD-OD1 3.07Å; P2025-N2142 HydrophobicContact CG-CB 4.31Å; P2025-N2142 WeakPolarHBondContact CG-OD1 3.47Å; Y2140-N2142 HydrophobicContact CD2-CB 4.4Å; Y2140-N2142 HydrophobicContact CE2-CB 3.96Å; Y2140-N2142 PolarHBondContact O-N 2.97Å; Y2140-N2142 PolarHBondContact O-ND2 3.17Å; N2142-H2144 PolarHBondContact O-N 2.9Å; N2142-H2144 WeakPolarHBondContact OD1-CA 3.27Å; N2142-H2144 VanDerWaalsContact OD1-CB 3.28Å; N2142-H2144 WeakPolarHBondContact OD1-CB 3.4Å; N2142-H2144 PolarHBondContact OD1-N 2.87Å; N2142-T2145 PolarHBondContact ND2-OG1 3.09Å; N2142-T2145 PolarHBondContact O-N 2.92Å; N2142-T2145 PolarHBondContact OD1-N 2.69Å; N2142-L2146 PolarHBondContact O-N 2.83Å; N2142-L2146 VanDerWaalsContact O-N 3.1Å |
| 2143 | S | 92.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -64.9 | -32 | -176.1 | 68.6 | 0 | 0 | 0 | 0 | 115.3 | M2021 A2023 N2024 Y2147 | M2021-S2143 WeakPolarHBondContact O-CA 3.49Å; M2021-S2143 WeakPolarHBondContact O-CB 3.49Å; M2021-S2143 PolarHBondContact O-N 3.22Å; A2023-S2143 PolarHBondContact O-N 2.82Å; A2023-S2143 PolarHBondContact O-OG 2.91Å; N2024-S2143 WeakPolarHBondContact CA-OG 3.42Å; N2024-S2143 PolarHBondContact OD1-OG 3.26Å; S2143-Y2147 WeakPolarHBondContact O-CB 3.23Å; S2143-Y2147 PolarHBondContact O-N 2.86Å |
| 2144 | H | 94.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 3.1 Ų | 3.1 | 6% | 0.056 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -68 | -46.5 | 174.5 | -63.9 | -165.4 | 0 | 0 | 0 | 109.4 | P2025 I2088 I2091 N2142 L2146 Y2147 F2148 | P2025-H2144 VanDerWaalsContact CD-CD2 3.42Å; P2025-H2144 WeakPolarHBondContact CD-CD2 3.49Å; P2025-H2144 HydrophobicContact CG-CB 4.13Å; I2088-H2144 VanDerWaalsContact CG1-CE1 3.48Å; I2088-H2144 WeakPolarHBondContact CG1-CE1 3.46Å; I2091-H2144 HydrophobicContact CD1-CB 4.41Å; N2142-H2144 PolarHBondContact O-N 2.9Å; N2142-H2144 WeakPolarHBondContact OD1-CA 3.27Å; N2142-H2144 VanDerWaalsContact OD1-CB 3.28Å; N2142-H2144 WeakPolarHBondContact OD1-CB 3.4Å; N2142-H2144 PolarHBondContact OD1-N 2.87Å; H2144-L2146 VanDerWaalsContact C-N 3.33Å; H2144-L2146 PolarHBondContact O-N 3.18Å; H2144-Y2147 PolarHBondContact O-N 3.3Å; H2144-F2148 HydrophobicContact CB-CD2 4.05Å; H2144-F2148 HydrophobicContact CB-CE2 4.17Å; H2144-F2148 WeakPolarHBondContact O-CB 3.23Å; H2144-F2148 WeakPolarHBondContact O-CD2 3.29Å; H2144-F2148 PolarHBondContact O-N 3.41Å |
| 2145 | T | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 179.7 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | Q2137 R2139 Y2140 N2142 G2149 W2184 M2188 | Q2137-T2145 WeakPolarHBondContact O-CA 3.11Å; Q2137-T2145 PolarHBondContact O-OG1 3.47Å; R2139-T2145 PolarHBondContact N-OG1 3.25Å; Y2140-T2145 PolarHBondContact O-OG1 2.96Å; N2142-T2145 PolarHBondContact ND2-OG1 3.09Å; N2142-T2145 PolarHBondContact O-N 2.92Å; N2142-T2145 PolarHBondContact OD1-N 2.69Å; T2145-G2149 PolarHBondContact O-N 3.27Å; T2145-W2184 HydrophobicContact CG2-CE3 4.36Å; T2145-W2184 HydrophobicContact CG2-CZ3 4.23Å; T2145-M2188 HydrophobicContact CG2-CE 4.41Å |
| 2146 | L | 92.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 3.4 Ų | 3.4 | 1% | 0.005 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -64.1 | -51.6 | 171.2 | -179.7 | 59.9 | 0 | 0 | 0 | 112 | I2012 E2016 M2021 P2101 N2142 H2144 F2148 G2149 C2150 | I2012-L2146 HydrophobicContact CG2-CD1 4.01Å; E2016-L2146 HydrophobicContact CG-CD1 4.1Å; E2016-L2146 HydrophobicContact CG-CD2 4.3Å; M2021-L2146 HydrophobicContact CB-CD2 4.02Å; M2021-L2146 HydrophobicContact CG-CD2 4.27Å; M2021-L2146 HydrophobicContact SD-CB 3.89Å; M2021-L2146 HydrophobicContact SD-CD1 4.41Å; M2021-L2146 HydrophobicContact SD-CD2 4.33Å; M2021-L2146 HydrophobicContact SD-CG 4.44Å; P2101-L2146 HydrophobicContact CB-CD2 4.37Å; P2101-L2146 HydrophobicContact CB-CG 4.32Å; P2101-L2146 WeakPolarHBondContact O-CD2 3.44Å; P2101-L2146 WeakPolarHBondContact O-CG 3.36Å; N2142-L2146 PolarHBondContact O-N 2.83Å; N2142-L2146 VanDerWaalsContact O-N 3.1Å; H2144-L2146 VanDerWaalsContact C-N 3.33Å; H2144-L2146 PolarHBondContact O-N 3.18Å; L2146-F2148 PolarHBondContact O-N 2.96Å; L2146-G2149 PolarHBondContact O-N 3.45Å; L2146-C2150 PolarHBondContact O-N 3Å; L2146-C2150 PolarHBondContact O-SG 3.4Å; L2146-C2150 VanDerWaalsContact O-SG 3.38Å |
| 2147 | Y | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | -178.4 | 175.1 | -92.6 | 0 | 0 | 0 | 112.9 | A2090 I2091 I2094 P2101 I2106 F2115 S2143 H2144 T2151 | A2090-Y2147 HydrophobicContact CB-CD2 4.35Å; A2090-Y2147 HydrophobicContact CB-CE1 4.25Å; A2090-Y2147 HydrophobicContact CB-CE2 3.42Å; A2090-Y2147 VanDerWaalsContact CB-CE2 3.42Å; A2090-Y2147 WeakPolarHBondContact CB-OH 3.47Å; I2091-Y2147 HydrophobicContact CD1-CD1 4.34Å; I2091-Y2147 HydrophobicContact CD1-CG 4Å; I2091-Y2147 HydrophobicContact CG1-CD1 4.33Å; I2091-Y2147 HydrophobicContact CG1-CD2 3.9Å; I2091-Y2147 HydrophobicContact CG1-CG 3.69Å; I2094-Y2147 HydrophobicContact CD1-CD2 4.26Å; I2094-Y2147 HydrophobicContact CD1-CE2 4.16Å; P2101-Y2147 HydrophobicContact CB-CD2 4.23Å; I2106-Y2147 HydrophobicContact CB-CE2 4.22Å; I2106-Y2147 HydrophobicContact CG2-CD2 3.64Å; I2106-Y2147 HydrophobicContact CG2-CE2 3.45Å; I2106-Y2147 VanDerWaalsContact CG2-CE2 3.45Å; F2115-Y2147 AromaticContact CE2-CE1 3.97Å; F2115-Y2147 HydrophobicContact CE2-CE1 3.97Å; F2115-Y2147 WeakPolarHBondContact CE2-OH 3.43Å; S2143-Y2147 WeakPolarHBondContact O-CB 3.23Å; S2143-Y2147 PolarHBondContact O-N 2.86Å; H2144-Y2147 PolarHBondContact O-N 3.3Å; Y2147-T2151 WeakPolarHBondContact O-CB 3.2Å; Y2147-T2151 PolarHBondContact O-N 3.13Å; Y2147-T2151 PolarHBondContact O-OG1 3.23Å |
| 2148 | F | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -75.9 | -28.6 | -178.6 | -73.5 | -63.3 | 0 | 0 | 0 | 113.1 | V2083 F2115 I2134 Q2137 L2138 H2144 L2146 T2151 L2152 | V2083-F2148 HydrophobicContact CG1-CE1 3.8Å; V2083-F2148 HydrophobicContact CG1-CZ 4.3Å; V2083-F2148 WeakPolarHBondContact O-CZ 3.42Å; F2115-F2148 HydrophobicContact CE2-CE1 4.45Å; F2115-F2148 HydrophobicContact CZ-CE1 4.1Å; I2134-F2148 HydrophobicContact CG2-CB 3.85Å; I2134-F2148 HydrophobicContact CG2-CD1 3.79Å; I2134-F2148 HydrophobicContact CG2-CG 4.17Å; Q2137-F2148 HydrophobicContact CB-CB 4.07Å; Q2137-F2148 HydrophobicContact CB-CD2 3.24Å; Q2137-F2148 HydrophobicContact CB-CE2 3.79Å; Q2137-F2148 HydrophobicContact CB-CG 3.77Å; Q2137-F2148 HydrophobicContact CG-CD1 4.48Å; Q2137-F2148 HydrophobicContact CG-CD2 3.53Å; Q2137-F2148 HydrophobicContact CG-CE2 3.6Å; Q2137-F2148 HydrophobicContact CG-CG 4Å; Q2137-F2148 HydrophobicContact CG-CZ 4.08Å; L2138-F2148 HydrophobicContact CD2-CB 4.16Å; H2144-F2148 HydrophobicContact CB-CD2 4.05Å; H2144-F2148 HydrophobicContact CB-CE2 4.17Å; H2144-F2148 WeakPolarHBondContact O-CB 3.23Å; H2144-F2148 WeakPolarHBondContact O-CD2 3.29Å; H2144-F2148 PolarHBondContact O-N 3.41Å; L2146-F2148 PolarHBondContact O-N 2.96Å; F2148-T2151 PolarHBondContact O-N 3.23Å; F2148-L2152 PolarHBondContact O-N 2.87Å |
| 2149 | G | 93.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.6 | -52.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T2145 L2146 T2151 L2152 L2153 | T2145-G2149 PolarHBondContact O-N 3.27Å; L2146-G2149 PolarHBondContact O-N 3.45Å; G2149-T2151 PolarHBondContact O-N 3.05Å; G2149-L2152 PolarHBondContact O-N 2.93Å; G2149-L2152 VanDerWaalsContact O-N 3.17Å; G2149-L2153 WeakPolarHBondContact O-CG 3.33Å; G2149-L2153 PolarHBondContact O-N 2.89Å |
| 2150 | C | 92.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.9 | -33.9 | 173.8 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | I2103 I2106 L2146 Y2154 | I2103-C2150 HydrophobicContact CG1-CB 4.23Å; I2106-C2150 HydrophobicContact CD1-CB 3.84Å; I2106-C2150 WeakPolarHBondContact CD1-O 3.37Å; L2146-C2150 PolarHBondContact O-N 3Å; L2146-C2150 PolarHBondContact O-SG 3.4Å; L2146-C2150 VanDerWaalsContact O-SG 3.38Å; C2150-Y2154 VanDerWaalsContact O-CB 3.32Å; C2150-Y2154 WeakPolarHBondContact O-CB 3.42Å; C2150-Y2154 PolarHBondContact O-N 3.08Å |
| 2151 | T | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | M2112 F2115 Y2147 F2148 G2149 Y2154 L2155 | M2112-T2151 HydrophobicContact CE-CG2 4.06Å; M2112-T2151 HydrophobicContact SD-CG2 4.45Å; F2115-T2151 HydrophobicContact CD2-CG2 3.76Å; F2115-T2151 HydrophobicContact CE2-CG2 4.22Å; F2115-T2151 HydrophobicContact CG-CG2 4.43Å; Y2147-T2151 WeakPolarHBondContact O-CB 3.2Å; Y2147-T2151 PolarHBondContact O-N 3.13Å; Y2147-T2151 PolarHBondContact O-OG1 3.23Å; F2148-T2151 PolarHBondContact O-N 3.23Å; G2149-T2151 PolarHBondContact O-N 3.05Å; T2151-Y2154 PolarHBondContact O-N 3.46Å; T2151-L2155 HydrophobicContact CG2-CD1 3.99Å; T2151-L2155 HydrophobicContact CG2-CG 4.41Å; T2151-L2155 WeakPolarHBondContact O-CB 3.33Å; T2151-L2155 VanDerWaalsContact O-CG 3.27Å; T2151-L2155 WeakPolarHBondContact O-CG 3.47Å; T2151-L2155 PolarHBondContact O-N 2.98Å |
| 2152 | L | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 175 | -86.9 | 155.9 | 0 | 0 | 0 | 112.2 | F2131 I2134 V2135 L2138 F2148 G2149 L2155 F2156 I2168 L2172 T2189 | F2131-L2152 HydrophobicContact CD1-CD2 4.4Å; I2134-L2152 HydrophobicContact CB-CD1 4.44Å; I2134-L2152 HydrophobicContact CG2-CD1 3.6Å; I2134-L2152 HydrophobicContact CG2-CG 3.78Å; V2135-L2152 HydrophobicContact CG2-CD1 3.63Å; L2138-L2152 HydrophobicContact CD1-CD1 3.79Å; L2138-L2152 HydrophobicContact CG-CD1 4.47Å; F2148-L2152 PolarHBondContact O-N 2.87Å; G2149-L2152 PolarHBondContact O-N 2.93Å; G2149-L2152 VanDerWaalsContact O-N 3.17Å; L2152-L2155 PolarHBondContact O-N 3.17Å; L2152-F2156 WeakPolarHBondContact O-CB 3.24Å; L2152-F2156 PolarHBondContact O-N 3.5Å; L2152-I2168 HydrophobicContact CD2-CG1 4.2Å; L2152-I2168 HydrophobicContact CD2-CG2 3.95Å; L2152-L2172 HydrophobicContact CD1-CD2 4.45Å; L2152-T2189 HydrophobicContact CB-CG2 4.32Å |
| 2153 | L | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.7 | -66.6 | 169.7 | 0 | 0 | 0 | 112 | I2012 I2103 G2149 F2156 S2157 T2189 E2192 M2193 Y2199 | I2012-L2153 HydrophobicContact CD1-CD1 3.6Å; I2103-L2153 HydrophobicContact CD1-CB 4.49Å; G2149-L2153 WeakPolarHBondContact O-CG 3.33Å; G2149-L2153 PolarHBondContact O-N 2.89Å; L2153-F2156 PolarHBondContact O-N 3.48Å; L2153-S2157 PolarHBondContact O-N 3.01Å; L2153-S2157 PolarHBondContact O-OG 3.46Å; L2153-T2189 HydrophobicContact CD2-CG2 4.47Å; L2153-T2189 HydrophobicContact CG-CG2 4.26Å; L2153-E2192 HydrophobicContact CD1-CB 4.34Å; L2153-E2192 HydrophobicContact CD1-CG 3.86Å; L2153-M2193 HydrophobicContact CD2-CB 3.74Å; L2153-M2193 HydrophobicContact CD2-CG 4.24Å; L2153-Y2199 HydrophobicContact CB-CE1 3.99Å; L2153-Y2199 HydrophobicContact CD2-CE1 4.28Å; L2153-Y2199 HydrophobicContact CD2-CE2 3.99Å |
| 2154 | Y | 94.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 174.4 | -178.6 | -99.5 | 0 | 0 | 0 | 112.6 | I2103 M2112 Q2116 C2150 T2151 F2156 S2157 E2158 | I2103-Y2154 HydrophobicContact CG2-CD2 4.02Å; M2112-Y2154 HydrophobicContact CE-CD1 3.61Å; M2112-Y2154 HydrophobicContact CE-CE1 4.11Å; M2112-Y2154 HydrophobicContact CE-CG 4.32Å; M2112-Y2154 HydrophobicContact CG-CD1 3.88Å; M2112-Y2154 HydrophobicContact CG-CE1 3.4Å; M2112-Y2154 HydrophobicContact SD-CD1 3.5Å; M2112-Y2154 VanDerWaalsContact SD-CD1 3.5Å; M2112-Y2154 HydrophobicContact SD-CE1 3.69Å; Q2116-Y2154 HydrophobicContact CG-CE1 4.42Å; C2150-Y2154 VanDerWaalsContact O-CB 3.32Å; C2150-Y2154 WeakPolarHBondContact O-CB 3.42Å; C2150-Y2154 PolarHBondContact O-N 3.08Å; T2151-Y2154 PolarHBondContact O-N 3.46Å; Y2154-F2156 PolarHBondContact O-N 2.83Å; Y2154-S2157 PolarHBondContact O-N 2.9Å; Y2154-S2157 PolarHBondContact O-OG 3.32Å; Y2154-S2157 VanDerWaalsContact O-OG 3.12Å; Y2154-E2158 HydrophobicContact CD1-CG 4.26Å; Y2154-E2158 HydrophobicContact CD2-CG 3.91Å; Y2154-E2158 HydrophobicContact CE1-CG 3.94Å; Y2154-E2158 HydrophobicContact CE2-CG 3.55Å; Y2154-E2158 HydrophobicContact CG-CG 4.26Å; Y2154-E2158 WeakPolarHBondContact O-CB 3.46Å; Y2154-E2158 WeakPolarHBondContact O-CG 3.37Å; Y2154-E2158 PolarHBondContact O-N 3.22Å |
| 2155 | L | 95 | Very high | 92.6 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -25.2 | 174.5 | -71.2 | 173.3 | 0 | 0 | 0 | 112.7 | M2112 F2115 Q2116 A2119 F2130 I2134 T2151 L2152 A2159 I2168 | M2112-L2155 HydrophobicContact SD-CD2 4.46Å; F2115-L2155 HydrophobicContact CB-CD1 4.4Å; Q2116-L2155 HydrophobicContact CG-CD2 3.86Å; A2119-L2155 HydrophobicContact CB-CD2 4.13Å; F2130-L2155 HydrophobicContact CE1-CD1 4.18Å; F2130-L2155 HydrophobicContact CZ-CD1 4.24Å; I2134-L2155 HydrophobicContact CD1-CD1 4.13Å; T2151-L2155 HydrophobicContact CG2-CD1 3.99Å; T2151-L2155 HydrophobicContact CG2-CG 4.41Å; T2151-L2155 WeakPolarHBondContact O-CB 3.33Å; T2151-L2155 VanDerWaalsContact O-CG 3.27Å; T2151-L2155 WeakPolarHBondContact O-CG 3.47Å; T2151-L2155 PolarHBondContact O-N 2.98Å; L2152-L2155 PolarHBondContact O-N 3.17Å; L2155-A2159 WeakPolarHBondContact O-CB 3.32Å; L2155-I2168 HydrophobicContact CB-CD1 4.01Å |
| 2156 | F | 94.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.2 | -42.9 | 172 | -171.2 | -80.4 | 0 | 0 | 0 | 111.8 | L2152 L2153 Y2154 Q2165 I2168 M2193 Y2199 F2201 H2204 F2206 | L2152-F2156 WeakPolarHBondContact O-CB 3.24Å; L2152-F2156 PolarHBondContact O-N 3.5Å; L2153-F2156 PolarHBondContact O-N 3.48Å; Y2154-F2156 PolarHBondContact O-N 2.83Å; F2156-Q2165 HydrophobicContact CD1-CG 4.26Å; F2156-Q2165 HydrophobicContact CD2-CB 3.98Å; F2156-Q2165 HydrophobicContact CD2-CG 3.89Å; F2156-Q2165 HydrophobicContact CE1-CG 4.21Å; F2156-Q2165 HydrophobicContact CE2-CB 3.6Å; F2156-Q2165 HydrophobicContact CE2-CG 3.86Å; F2156-Q2165 HydrophobicContact CG-CG 4.1Å; F2156-Q2165 HydrophobicContact CZ-CB 3.96Å; F2156-Q2165 HydrophobicContact CZ-CG 4.02Å; F2156-Q2165 WeakPolarHBondContact O-CG 3.42Å; F2156-Q2165 PolarHBondContact O-NE2 3.37Å; F2156-I2168 HydrophobicContact CB-CD1 4.25Å; F2156-I2168 HydrophobicContact CD2-CB 4.3Å; F2156-I2168 HydrophobicContact CD2-CG2 3.96Å; F2156-M2193 HydrophobicContact CD2-SD 3.79Å; F2156-M2193 HydrophobicContact CE2-SD 3.92Å; F2156-M2193 HydrophobicContact CG-SD 4.3Å; F2156-Y2199 HydrophobicContact CD1-CD1 4.47Å; F2156-F2201 HydrophobicContact CZ-CD2 4.18Å; F2156-H2204 AromaticContact CE1-NE2 3.85Å; F2156-F2206 HydrophobicContact CE2-CZ 4.26Å; F2156-F2206 HydrophobicContact CZ-CZ 4.33Å |
| 2157 | S | 91.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 31 Ų | 31 | 39% | 0.392 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -72.3 | -37.5 | -179.3 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | L2153 Y2154 A2159 | L2153-S2157 PolarHBondContact O-N 3.01Å; L2153-S2157 PolarHBondContact O-OG 3.46Å; Y2154-S2157 PolarHBondContact O-N 2.9Å; Y2154-S2157 PolarHBondContact O-OG 3.32Å; Y2154-S2157 VanDerWaalsContact O-OG 3.12Å; S2157-A2159 VanDerWaalsContact C-N 3.3Å; S2157-A2159 PolarHBondContact O-N 2.92Å |
| 2158 | E | 90.5 | Very high | 92.5 | Very high | 99 Ų | 99 | 31 Ų | 31 | 46% | 0.463 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 11.9 | -179 | -56.7 | -67.6 | 117.5 | 0 | 0 | 113.4 | Y2154 N2160 | Y2154-E2158 HydrophobicContact CD1-CG 4.26Å; Y2154-E2158 HydrophobicContact CD2-CG 3.91Å; Y2154-E2158 HydrophobicContact CE1-CG 3.94Å; Y2154-E2158 HydrophobicContact CE2-CG 3.55Å; Y2154-E2158 HydrophobicContact CG-CG 4.26Å; Y2154-E2158 WeakPolarHBondContact O-CB 3.46Å; Y2154-E2158 WeakPolarHBondContact O-CG 3.37Å; Y2154-E2158 PolarHBondContact O-N 3.22Å; E2158-N2160 PolarHBondContact O-N 2.96Å |
| 2159 | A | 90.2 | Very high | 92.3 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | trans | -77.1 | 106.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2155 S2157 S2161 I2164 Q2165 | L2155-A2159 WeakPolarHBondContact O-CB 3.32Å; S2157-A2159 VanDerWaalsContact C-N 3.3Å; S2157-A2159 PolarHBondContact O-N 2.92Å; A2159-S2161 PolarHBondContact O-N 3.49Å; A2159-I2164 HydrophobicContact CB-CB 3.98Å; A2159-I2164 HydrophobicContact CB-CG2 3.81Å; A2159-Q2165 HydrophobicContact CB-CG 3.7Å | ||
| 2160 | N | 86.3 | Confident | 92.2 | Very high | 169 Ų | 169 | 38.7 Ų | 38.7 | 90% | 0.904 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -69 | 8.7 | 171 | -65.8 | -35.4 | 0 | 0 | 0 | 114.4 | E2158 | E2158-N2160 PolarHBondContact O-N 2.96Š|
| 2161 | S | 88.5 | Confident | 92.2 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 40% | 0.399 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -150.1 | 126.1 | -177.6 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | A2159 A2163 I2164 | A2159-S2161 PolarHBondContact O-N 3.49Å; S2161-A2163 PolarHBondContact O-N 3.38Å; S2161-I2164 WeakPolarHBondContact O-CB 3.46Å; S2161-I2164 PolarHBondContact O-N 3.12Å |
| 2162 | E | 89.4 | Confident | 92.1 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.2 | -29.5 | 177.2 | -109.5 | -169.6 | 156.4 | 0 | 0 | 112.6 | I2164 Q2165 E2166 H2204 Y2205 F2206 | E2162-I2164 PolarHBondContact O-N 3.31Å; E2162-I2164 VanDerWaalsContact O-N 3.08Å; E2162-Q2165 PolarHBondContact O-N 3.16Å; E2162-E2166 WeakPolarHBondContact O-CB 3.48Å; E2162-E2166 PolarHBondContact O-N 3.36Å; E2162-H2204 WeakPolarHBondContact OE1-CA 3.18Å; E2162-H2204 WeakPolarHBondContact OE1-CB 3.29Å; E2162-H2204 IonicContact OE1-CG 3.48Å; E2162-H2204 IonicContact OE1-ND1 2.65Å; E2162-H2204 PolarHBondContact OE1-ND1 2.86Å; E2162-Y2205 PolarHBondContact OE1-N 2.93Å; E2162-F2206 HydrophobicContact CG-CD1 4.12Å; E2162-F2206 HydrophobicContact CG-CE1 4.4Å |
| 2163 | A | 89.5 | Confident | 91.7 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.8 | -6.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R2127 S2161 Q2167 | R2127-A2163 PolarHBondContact NH1-O 3.37Å; S2161-A2163 PolarHBondContact O-N 3.38Å; A2163-Q2167 WeakPolarHBondContact O-CG 3.47Å |
| 2164 | I | 93.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -89.2 | -46.1 | 167.2 | -67.3 | 170.1 | 0 | 0 | 0 | 109.7 | A2119 V2120 F2131 A2159 S2161 E2162 Q2167 I2168 | A2119-I2164 VanDerWaalsContact O-CD1 3.27Å; A2119-I2164 WeakPolarHBondContact O-CD1 3.41Å; V2120-I2164 HydrophobicContact CG2-CD1 4.32Å; F2131-I2164 HydrophobicContact CZ-CG2 4.04Å; A2159-I2164 HydrophobicContact CB-CB 3.98Å; A2159-I2164 HydrophobicContact CB-CG2 3.81Å; S2161-I2164 WeakPolarHBondContact O-CB 3.46Å; S2161-I2164 PolarHBondContact O-N 3.12Å; E2162-I2164 PolarHBondContact O-N 3.31Å; E2162-I2164 VanDerWaalsContact O-N 3.08Å; I2164-Q2167 PolarHBondContact O-N 3.2Å; I2164-I2168 HydrophobicContact CG2-CD1 3.86Å; I2164-I2168 WeakPolarHBondContact O-CG1 3.33Å; I2164-I2168 PolarHBondContact O-N 2.86Å |
| 2165 | Q | 93.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 178.4 | -71.9 | 158.2 | -24.9 | 0 | 0 | 112.1 | F2156 A2159 E2162 T2169 H2204 F2206 | F2156-Q2165 HydrophobicContact CD1-CG 4.26Å; F2156-Q2165 HydrophobicContact CD2-CB 3.98Å; F2156-Q2165 HydrophobicContact CD2-CG 3.89Å; F2156-Q2165 HydrophobicContact CE1-CG 4.21Å; F2156-Q2165 HydrophobicContact CE2-CB 3.6Å; F2156-Q2165 HydrophobicContact CE2-CG 3.86Å; F2156-Q2165 HydrophobicContact CG-CG 4.1Å; F2156-Q2165 HydrophobicContact CZ-CB 3.96Å; F2156-Q2165 HydrophobicContact CZ-CG 4.02Å; F2156-Q2165 WeakPolarHBondContact O-CG 3.42Å; F2156-Q2165 PolarHBondContact O-NE2 3.37Å; A2159-Q2165 HydrophobicContact CB-CG 3.7Å; E2162-Q2165 PolarHBondContact O-N 3.16Å; Q2165-T2169 WeakPolarHBondContact O-CB 3.4Å; Q2165-T2169 PolarHBondContact O-N 3.5Å; Q2165-T2169 PolarHBondContact O-OG1 3.44Å; Q2165-H2204 VanDerWaalsContact CD-CE1 3.4Å; Q2165-H2204 PolarHBondContact OE1-CE1 3.1Å; Q2165-H2204 PolarHBondContact OE1-ND1 3.03Å; Q2165-F2206 HydrophobicContact CB-CE1 3.65Å; Q2165-F2206 HydrophobicContact CB-CZ 4.02Å |
| 2166 | E | 92.1 | Very high | 91 | Very high | 79 Ų | 79 | 41.5 Ų | 41.5 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 171.3 | -173.6 | -144.2 | 131 | 0 | 0 | 111 | E2162 T2169 R2170 F2206 | E2162-E2166 WeakPolarHBondContact O-CB 3.48Å; E2162-E2166 PolarHBondContact O-N 3.36Å; E2166-T2169 PolarHBondContact O-N 3.47Å; E2166-R2170 VanDerWaalsContact O-CB 3.27Å; E2166-R2170 WeakPolarHBondContact O-CB 3.45Å; E2166-R2170 PolarHBondContact O-N 3.46Å; E2166-F2206 HydrophobicContact CB-CB 4.32Å; E2166-F2206 HydrophobicContact CB-CD1 4.12Å; E2166-F2206 HydrophobicContact CB-CD2 4.24Å; E2166-F2206 HydrophobicContact CB-CG 3.96Å; E2166-F2206 HydrophobicContact CG-CB 4.13Å; E2166-F2206 HydrophobicContact CG-CD2 4.29Å; E2166-F2206 HydrophobicContact CG-CG 4.17Å |
| 2167 | Q | 93.2 | Very high | 90.4 | Very high | 19 Ų | 19 | 45 Ų | 45 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.6 | -38 | -178.3 | -74.1 | 178.8 | 9.9 | 0 | 0 | 112.9 | S2124 R2127 F2131 A2163 I2164 R2170 V2171 | S2124-Q2167 PolarHBondContact OG-NE2 3.01Å; R2127-Q2167 VanDerWaalsContact CZ-OE1 3.32Å; F2131-Q2167 HydrophobicContact CD2-CB 3.99Å; F2131-Q2167 HydrophobicContact CE2-CB 3.81Å; A2163-Q2167 WeakPolarHBondContact O-CG 3.47Å; I2164-Q2167 PolarHBondContact O-N 3.2Å; Q2167-R2170 PolarHBondContact O-N 3.02Å; Q2167-V2171 WeakPolarHBondContact O-CG2 3.34Å; Q2167-V2171 PolarHBondContact O-N 3.37Å |
| 2168 | I | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | 170.7 | -73.2 | 169.5 | 0 | 0 | 0 | 109.8 | F2131 L2152 L2155 F2156 I2164 R2170 V2171 L2172 M2193 | F2131-I2168 HydrophobicContact CD1-CG1 3.83Å; F2131-I2168 HydrophobicContact CD2-CG1 4.27Å; F2131-I2168 HydrophobicContact CE1-CD1 4.02Å; F2131-I2168 HydrophobicContact CE1-CG1 3.67Å; F2131-I2168 HydrophobicContact CE2-CG1 4.13Å; F2131-I2168 HydrophobicContact CG-CG1 4.17Å; F2131-I2168 HydrophobicContact CZ-CD1 4.26Å; F2131-I2168 HydrophobicContact CZ-CG1 3.85Å; L2152-I2168 HydrophobicContact CD2-CG1 4.2Å; L2152-I2168 HydrophobicContact CD2-CG2 3.95Å; L2155-I2168 HydrophobicContact CB-CD1 4.01Å; F2156-I2168 HydrophobicContact CB-CD1 4.25Å; F2156-I2168 HydrophobicContact CD2-CB 4.3Å; F2156-I2168 HydrophobicContact CD2-CG2 3.96Å; I2164-I2168 HydrophobicContact CG2-CD1 3.86Å; I2164-I2168 WeakPolarHBondContact O-CG1 3.33Å; I2164-I2168 PolarHBondContact O-N 2.86Å; I2168-R2170 PolarHBondContact O-N 2.93Å; I2168-V2171 PolarHBondContact O-N 3.43Å; I2168-L2172 HydrophobicContact CG2-CD1 4.21Å; I2168-L2172 WeakPolarHBondContact O-CG 3.45Å; I2168-L2172 PolarHBondContact O-N 3.27Å; I2168-L2172 VanDerWaalsContact O-N 3.12Å; I2168-M2193 HydrophobicContact CG2-SD 4.47Å |
| 2169 | T | 91.2 | Very high | 89.7 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 178 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | Q2165 E2166 V2171 L2172 F2173 F2201 F2206 | Q2165-T2169 WeakPolarHBondContact O-CB 3.4Å; Q2165-T2169 PolarHBondContact O-N 3.5Å; Q2165-T2169 PolarHBondContact O-OG1 3.44Å; E2166-T2169 PolarHBondContact O-N 3.47Å; T2169-V2171 PolarHBondContact O-N 2.84Å; T2169-L2172 PolarHBondContact O-N 3.4Å; T2169-F2173 WeakPolarHBondContact O-CB 3.34Å; T2169-F2173 PolarHBondContact O-N 2.88Å; T2169-F2201 HydrophobicContact CG2-CE2 3.71Å; T2169-F2201 HydrophobicContact CG2-CZ 3.98Å; T2169-F2206 HydrophobicContact CG2-CE2 4.08Å; T2169-F2206 WeakPolarHBondContact OG1-CE2 3.32Å |
| 2170 | R | 91.6 | Very high | 89.3 | Confident | 146 Ų | 146 | 50.6 Ų | 50.6 | 55% | 0.551 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -57.3 | -44.2 | 179.6 | 177.8 | 177.5 | 167.8 | 174.3 | -1 | 112.6 | E2166 Q2167 I2168 F2173 E2174 | E2166-R2170 VanDerWaalsContact O-CB 3.27Å; E2166-R2170 WeakPolarHBondContact O-CB 3.45Å; E2166-R2170 PolarHBondContact O-N 3.46Å; Q2167-R2170 PolarHBondContact O-N 3.02Å; I2168-R2170 PolarHBondContact O-N 2.93Å; R2170-F2173 PolarHBondContact O-N 2.95Å; R2170-E2174 WeakPolarHBondContact O-CB 3.39Å; R2170-E2174 PolarHBondContact O-N 3.02Å |
| 2171 | V | 93.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.9 | -28.6 | -178.8 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | Y2128 F2131 N2132 V2135 Q2167 I2168 T2169 R2175 | Y2128-V2171 HydrophobicContact CD2-CG2 3.62Å; Y2128-V2171 HydrophobicContact CE2-CG2 3.77Å; F2131-V2171 HydrophobicContact CB-CB 4.23Å; F2131-V2171 HydrophobicContact CB-CG1 4.22Å; F2131-V2171 HydrophobicContact CB-CG2 4.14Å; N2132-V2171 HydrophobicContact CB-CG1 4.48Å; N2132-V2171 WeakPolarHBondContact ND2-CG1 3.28Å; V2135-V2171 HydrophobicContact CB-CG1 4.26Å; V2135-V2171 HydrophobicContact CG2-CG1 3.97Å; Q2167-V2171 WeakPolarHBondContact O-CG2 3.34Å; Q2167-V2171 PolarHBondContact O-N 3.37Å; I2168-V2171 PolarHBondContact O-N 3.43Å; T2169-V2171 PolarHBondContact O-N 2.84Å; V2171-R2175 WeakPolarHBondContact O-CD 3.49Å |
| 2172 | L | 91.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.8 | -43.3 | 168.1 | -66.1 | 172.9 | 0 | 0 | 0 | 111 | V2135 L2138 L2152 I2168 T2169 R2175 L2176 L2186 F2190 M2193 | V2135-L2172 HydrophobicContact CG2-CD2 3.95Å; L2138-L2172 HydrophobicContact CD1-CD2 4.12Å; L2152-L2172 HydrophobicContact CD1-CD2 4.45Å; I2168-L2172 HydrophobicContact CG2-CD1 4.21Å; I2168-L2172 WeakPolarHBondContact O-CG 3.45Å; I2168-L2172 PolarHBondContact O-N 3.27Å; I2168-L2172 VanDerWaalsContact O-N 3.12Å; T2169-L2172 PolarHBondContact O-N 3.4Å; L2172-R2175 PolarHBondContact O-N 3.05Å; L2172-L2176 WeakPolarHBondContact O-CG 3.32Å; L2172-L2176 PolarHBondContact O-N 2.76Å; L2172-L2186 HydrophobicContact CD2-CD1 3.66Å; L2172-F2190 HydrophobicContact CB-CD2 3.81Å; L2172-F2190 HydrophobicContact CB-CE2 4.39Å; L2172-F2190 HydrophobicContact CD1-CD2 4.24Å; L2172-M2193 HydrophobicContact CD1-CE 3.87Å; L2172-M2193 HydrophobicContact CD1-SD 3.96Å |
| 2173 | F | 86.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 38.9 Ų | 38.9 | 18% | 0.18 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.1 | -41.4 | -172.9 | -164 | -124.1 | 0 | 0 | 0 | 113.6 | T2169 R2170 R2175 L2176 I2177 F2190 I2216 A2217 C2220 | T2169-F2173 WeakPolarHBondContact O-CB 3.34Å; T2169-F2173 PolarHBondContact O-N 2.88Å; R2170-F2173 PolarHBondContact O-N 2.95Å; F2173-R2175 PolarHBondContact O-N 3.29Å; F2173-R2175 VanDerWaalsContact O-N 3.12Å; F2173-L2176 PolarHBondContact O-N 3.06Å; F2173-I2177 WeakPolarHBondContact O-CG2 3.28Å; F2173-I2177 PolarHBondContact O-N 2.97Å; F2173-F2190 HydrophobicContact CD2-CE2 4.22Å; F2173-F2190 AromaticContact CD2-CZ 3.74Å; F2173-F2190 HydrophobicContact CD2-CZ 3.74Å; F2173-F2190 HydrophobicContact CE2-CZ 4.27Å; F2173-I2216 HydrophobicContact CE1-CB 4.41Å; F2173-I2216 HydrophobicContact CE1-CG2 3.99Å; F2173-I2216 HydrophobicContact CE2-CG2 4.37Å; F2173-I2216 HydrophobicContact CZ-CB 3.82Å; F2173-I2216 HydrophobicContact CZ-CG2 3.43Å; F2173-I2216 VanDerWaalsContact CZ-CG2 3.43Å; F2173-A2217 HydrophobicContact CE2-CB 4.48Å; F2173-C2220 HydrophobicContact CE2-CB 3.92Å; F2173-C2220 VanDerWaalsContact CE2-SG 3.54Å |
| 2174 | E | 89.8 | Confident | 89.8 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.6 | -31.5 | 176.7 | 75.8 | -170.2 | 179.3 | 0 | 0 | 111.6 | V1989 Y2128 N2132 R2170 | V1989-E2174 WeakPolarHBondContact CG1-O 3.49Å; V1989-E2174 HydrophobicContact CG2-CG 4.45Å; Y2128-E2174 WeakPolarHBondContact CE2-OE2 3.38Å; Y2128-E2174 PolarHBondContact OH-OE1 3.17Å; Y2128-E2174 PolarHBondContact OH-OE2 3.22Å; N2132-E2174 PolarHBondContact ND2-OE1 3.36Å; R2170-E2174 WeakPolarHBondContact O-CB 3.39Å; R2170-E2174 PolarHBondContact O-N 3.02Å |
| 2175 | R | 91.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85.7 | -18.2 | 178.3 | -68.5 | 169 | 177.7 | -118.4 | 9.6 | 114.4 | V1989 N1993 I1996 N2132 N2136 V2171 L2172 F2173 S2178 L2186 | V1989-R2175 HydrophobicContact CG1-CB 4.35Å; V1989-R2175 HydrophobicContact CG1-CG 3.99Å; N1993-R2175 PolarHBondContact ND2-O 2.86Å; I1996-R2175 VanDerWaalsContact CD1-NH1 3.26Å; N2132-R2175 PolarHBondContact O-NH2 3.19Å; N2132-R2175 PolarHBondContact OD1-NH2 2.7Å; N2136-R2175 PolarHBondContact OD1-NH1 3.27Å; N2136-R2175 PolarHBondContact OD1-NH2 3.04Å; V2171-R2175 WeakPolarHBondContact O-CD 3.49Å; L2172-R2175 PolarHBondContact O-N 3.05Å; F2173-R2175 PolarHBondContact O-N 3.29Å; F2173-R2175 VanDerWaalsContact O-N 3.12Å; R2175-S2178 PolarHBondContact O-OG 2.92Å; R2175-L2186 HydrophobicContact CB-CD1 4.24Å; R2175-L2186 HydrophobicContact CB-CD2 3.51Å |
| 2176 | L | 88.2 | Confident | 89.7 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -98.9 | -16.8 | 178.1 | -69.9 | 172.3 | 0 | 0 | 0 | 113.7 | L2172 F2173 H2182 L2186 M2187 F2190 I2224 | L2172-L2176 WeakPolarHBondContact O-CG 3.32Å; L2172-L2176 PolarHBondContact O-N 2.76Å; F2173-L2176 PolarHBondContact O-N 3.06Å; L2176-H2182 HydrophobicContact CD2-CB 4.43Å; L2176-L2186 HydrophobicContact CD1-CG 4.39Å; L2176-L2186 HydrophobicContact CD2-CD2 3.57Å; L2176-L2186 HydrophobicContact CD2-CG 3.89Å; L2176-L2186 HydrophobicContact CG-CD2 3.75Å; L2176-L2186 HydrophobicContact CG-CG 3.98Å; L2176-M2187 HydrophobicContact CD2-CG 3.77Å; L2176-F2190 HydrophobicContact CD1-CB 3.59Å; L2176-F2190 HydrophobicContact CD1-CD1 3.33Å; L2176-F2190 HydrophobicContact CD1-CD2 3.96Å; L2176-F2190 HydrophobicContact CD1-CE1 3.87Å; L2176-F2190 HydrophobicContact CD1-CE2 4.43Å; L2176-F2190 HydrophobicContact CD1-CG 3.37Å; L2176-F2190 HydrophobicContact CD1-CZ 4.38Å; L2176-I2224 HydrophobicContact CD1-CD1 4.08Å; L2176-I2224 HydrophobicContact CD2-CD1 4.03Å; L2176-I2224 HydrophobicContact CG-CD1 4.45Å |
| 2177 | I | 82.2 | Confident | 89.7 | Confident | 75 Ų | 75 | 33.4 Ų | 33.4 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -84.5 | -14.8 | 172.9 | -159.8 | 170 | 0 | 0 | 0 | 113 | F2173 I2216 | F2173-I2177 WeakPolarHBondContact O-CG2 3.28Å; F2173-I2177 PolarHBondContact O-N 2.97Å; I2177-I2216 HydrophobicContact CD1-CG2 3.79Å |
| 2178 | S | 84.9 | Confident | 89.6 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 18% | 0.175 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -67.5 | 174.6 | -179.8 | 77.7 | 0 | 0 | 0 | 0 | 113.7 | N1993 R2175 H2182 | N1993-S2178 PolarHBondContact ND2-OG 2.75Å; R2175-S2178 PolarHBondContact O-OG 2.92Å; S2178-H2182 PolarHBondContact O-NE2 3.17Å |
| 2179 | L | 82 | Confident | 89.4 | Confident | 121 Ų | 121 | 32.7 Ų | 32.7 | 63% | 0.634 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -71.2 | 142.6 | 171.1 | -68 | 172 | 0 | 0 | 0 | 110.9 | ||
| 2180 | R | 81.4 | Confident | 89.4 | Confident | 143 Ų | 143 | 32 Ų | 32 | 54% | 0.54 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -50.6 | 149.4 | 174.4 | -67.6 | -177.2 | -178 | -171.5 | 0.4 | 111 | R2226 Q2227 | R2180-R2226 PolarHBondContact NH2-O 3.49Å; R2180-Q2227 VanDerWaalsContact CZ-CG 3.45Å |
| 2181 | P | 89.6 | Confident | 89.3 | Confident | 32 Ų | 32 | 25.5 Ų | 25.5 | 21% | 0.208 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | cis | -80.9 | 163.8 | 8.5 | 35.6 | -39.5 | 0 | 0 | 0 | 114.3 | L1966 L1994 | L1966-P2181 HydrophobicContact CD2-CG 3.92Å; L1994-P2181 HydrophobicContact CD2-CG 3.92Å; L1994-P2181 HydrophobicContact CG-CG 4.48Å |
| 2182 | H | 89 | Confident | 89.1 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 9% | 0.088 | 13% | 0.129 | C | C | . | . | trans | -118.6 | 135.2 | 173.5 | -60.2 | 146.1 | 0 | 0 | 0 | 110.2 | S1997 L2176 S2178 M2187 Q2227 | S1997-H2182 VanDerWaalsContact OG-C 3.25Å; L2176-H2182 HydrophobicContact CD2-CB 4.43Å; S2178-H2182 PolarHBondContact O-NE2 3.17Å; H2182-M2187 HydrophobicContact CB-CE 4.36Å; H2182-M2187 HydrophobicContact CB-CG 4.16Å; H2182-M2187 HydrophobicContact CB-SD 3.81Å; H2182-Q2227 PolarHBondContact ND1-OE1 2.87Å | ||
| 2183 | P | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -65.7 | 137.8 | 177.4 | -21.2 | 31.9 | 0 | 0 | 0 | 112.5 | I1996 S1997 L2138 G2185 L2186 M2187 | I1996-P2183 HydrophobicContact CB-CG 4.47Å; I1996-P2183 HydrophobicContact CD1-CB 4.28Å; I1996-P2183 HydrophobicContact CD1-CG 3.48Å; I1996-P2183 VanDerWaalsContact CD1-CG 3.48Å; I1996-P2183 HydrophobicContact CG1-CG 3.64Å; S1997-P2183 WeakPolarHBondContact OG-CD 3.39Å; L2138-P2183 WeakPolarHBondContact O-CB 3.45Å; P2183-G2185 PolarHBondContact O-N 3.48Å; P2183-L2186 HydrophobicContact CB-CB 3.93Å; P2183-L2186 HydrophobicContact CG-CB 4.29Å; P2183-L2186 HydrophobicContact CG-CD2 4.33Å; P2183-L2186 WeakPolarHBondContact O-CB 3.27Å; P2183-L2186 PolarHBondContact O-N 3.25Å; P2183-M2187 PolarHBondContact O-N 3.15Å | ||
| 2184 | W | 93.7 | Very high | 89 | Confident | 10 Ų | 10 | 25.3 Ų | 25.3 | 4% | 0.038 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -47.8 | -178.3 | 176.1 | 87.8 | 0 | 0 | 0 | 112.9 | L2005 P2006 L2015 M2021 R2139 P2141 T2145 L2186 M2187 M2188 | L2005-W2184 HydrophobicContact CD2-CB 4.34Å; L2005-W2184 HydrophobicContact CD2-CG 4.36Å; P2006-W2184 HydrophobicContact CB-CZ2 4.24Å; P2006-W2184 HydrophobicContact CG-CZ2 4.17Å; P2006-W2184 PolarHBondContact O-NE1 2.95Å; L2015-W2184 HydrophobicContact CD1-CH2 3.92Å; L2015-W2184 HydrophobicContact CD1-CZ2 3.92Å; L2015-W2184 HydrophobicContact CD2-CH2 4.29Å; L2015-W2184 HydrophobicContact CD2-CZ2 3.92Å; M2021-W2184 HydrophobicContact CE-CH2 3.47Å; M2021-W2184 VanDerWaalsContact CE-CH2 3.47Å; M2021-W2184 HydrophobicContact CE-CZ2 4.48Å; M2021-W2184 HydrophobicContact CE-CZ3 3.7Å; R2139-W2184 PolarHBondContact O-N 3.44Å; P2141-W2184 HydrophobicContact CG-CD2 4.01Å; P2141-W2184 HydrophobicContact CG-CE3 3.98Å; P2141-W2184 HydrophobicContact CG-CH2 4.3Å; P2141-W2184 HydrophobicContact CG-CZ2 4.3Å; P2141-W2184 HydrophobicContact CG-CZ3 4.13Å; T2145-W2184 HydrophobicContact CG2-CE3 4.36Å; T2145-W2184 HydrophobicContact CG2-CZ3 4.23Å; W2184-L2186 VanDerWaalsContact C-N 3.32Å; W2184-L2186 PolarHBondContact O-N 2.97Å; W2184-M2187 PolarHBondContact O-N 2.83Å; W2184-M2188 HydrophobicContact CH2-CE 4.29Å; W2184-M2188 HydrophobicContact CH2-CG 4.36Å; W2184-M2188 HydrophobicContact CZ3-CE 4.01Å; W2184-M2188 WeakPolarHBondContact O-CB 3.39Å; W2184-M2188 PolarHBondContact O-N 3.25Å |
| 2185 | G | 92 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.2 | -27.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R2139 P2183 T2189 | R2139-G2185 PolarHBondContact O-N 3.45Å; P2183-G2185 PolarHBondContact O-N 3.48Å; G2185-T2189 WeakPolarHBondContact O-CB 3.26Å; G2185-T2189 PolarHBondContact O-N 2.92Å; G2185-T2189 PolarHBondContact O-OG1 3.24Å |
| 2186 | L | 93.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.7 | -48.5 | 173.5 | 177.3 | 76.7 | 0 | 0 | 0 | 110.1 | V2135 L2138 L2172 R2175 L2176 P2183 W2184 T2189 F2190 | V2135-L2186 HydrophobicContact CG1-CD1 3.55Å; L2138-L2186 HydrophobicContact CB-CB 4.47Å; L2172-L2186 HydrophobicContact CD2-CD1 3.66Å; R2175-L2186 HydrophobicContact CB-CD1 4.24Å; R2175-L2186 HydrophobicContact CB-CD2 3.51Å; L2176-L2186 HydrophobicContact CD1-CG 4.39Å; L2176-L2186 HydrophobicContact CD2-CD2 3.57Å; L2176-L2186 HydrophobicContact CD2-CG 3.89Å; L2176-L2186 HydrophobicContact CG-CD2 3.75Å; L2176-L2186 HydrophobicContact CG-CG 3.98Å; P2183-L2186 HydrophobicContact CB-CB 3.93Å; P2183-L2186 HydrophobicContact CG-CB 4.29Å; P2183-L2186 HydrophobicContact CG-CD2 4.33Å; P2183-L2186 WeakPolarHBondContact O-CB 3.27Å; P2183-L2186 PolarHBondContact O-N 3.25Å; W2184-L2186 VanDerWaalsContact C-N 3.32Å; W2184-L2186 PolarHBondContact O-N 2.97Å; L2186-T2189 PolarHBondContact O-N 3.43Å; L2186-F2190 WeakPolarHBondContact O-CB 3.48Å; L2186-F2190 PolarHBondContact O-N 3.21Å; L2186-F2190 VanDerWaalsContact O-N 3.11Å |
| 2187 | M | 90.7 | Very high | 88.3 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -51.3 | 176.2 | -65.1 | -176.8 | -66.5 | 0 | 0 | 110.4 | P2008 L2176 H2182 P2183 W2184 T2189 F2190 I2191 I2224 | P2008-M2187 HydrophobicContact CB-CB 4.16Å; P2008-M2187 HydrophobicContact CG-CE 4.5Å; L2176-M2187 HydrophobicContact CD2-CG 3.77Å; H2182-M2187 HydrophobicContact CB-CE 4.36Å; H2182-M2187 HydrophobicContact CB-CG 4.16Å; H2182-M2187 HydrophobicContact CB-SD 3.81Å; P2183-M2187 PolarHBondContact O-N 3.15Å; W2184-M2187 PolarHBondContact O-N 2.83Å; M2187-T2189 PolarHBondContact O-N 2.98Å; M2187-F2190 PolarHBondContact O-N 3.42Å; M2187-I2191 HydrophobicContact CB-CD1 4.3Å; M2187-I2191 WeakPolarHBondContact O-CB 3.49Å; M2187-I2191 WeakPolarHBondContact O-CD1 3.5Å; M2187-I2191 WeakPolarHBondContact O-CG1 3.48Å; M2187-I2191 PolarHBondContact O-N 3.19Å; M2187-I2224 HydrophobicContact CB-CG2 4.33Å; M2187-I2224 HydrophobicContact CG-CG2 4.21Å; M2187-I2224 HydrophobicContact SD-CG2 3.92Å |
| 2188 | M | 91.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.9 | -47.8 | 177.6 | 173 | -85.1 | -78.1 | 0 | 0 | 112.9 | P2008 I2012 L2015 T2145 W2184 F2190 I2191 E2192 | P2008-M2188 HydrophobicContact CB-CB 4.47Å; I2012-M2188 HydrophobicContact CD1-SD 3.53Å; I2012-M2188 VanDerWaalsContact CD1-SD 3.53Å; I2012-M2188 HydrophobicContact CG1-CG 4.4Å; I2012-M2188 HydrophobicContact CG1-SD 3.6Å; L2015-M2188 HydrophobicContact CD1-CG 3.55Å; T2145-M2188 HydrophobicContact CG2-CE 4.41Å; W2184-M2188 HydrophobicContact CH2-CE 4.29Å; W2184-M2188 HydrophobicContact CH2-CG 4.36Å; W2184-M2188 HydrophobicContact CZ3-CE 4.01Å; W2184-M2188 WeakPolarHBondContact O-CB 3.39Å; W2184-M2188 PolarHBondContact O-N 3.25Å; M2188-F2190 PolarHBondContact O-N 2.91Å; M2188-I2191 PolarHBondContact O-N 2.98Å; M2188-E2192 PolarHBondContact O-N 2.84Å |
| 2189 | T | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | -178.3 | -54 | 0 | 0 | 0 | 0 | 111.7 | L2138 L2152 L2153 G2185 L2186 M2187 M2193 | L2138-T2189 HydrophobicContact CD1-CG2 4.31Å; L2152-T2189 HydrophobicContact CB-CG2 4.32Å; L2153-T2189 HydrophobicContact CD2-CG2 4.47Å; L2153-T2189 HydrophobicContact CG-CG2 4.26Å; G2185-T2189 WeakPolarHBondContact O-CB 3.26Å; G2185-T2189 PolarHBondContact O-N 2.92Å; G2185-T2189 PolarHBondContact O-OG1 3.24Å; L2186-T2189 PolarHBondContact O-N 3.43Å; M2187-T2189 PolarHBondContact O-N 2.98Å; T2189-M2193 WeakPolarHBondContact O-CB 3.41Å; T2189-M2193 PolarHBondContact O-N 2.71Å; T2189-M2193 VanDerWaalsContact O-N 3.13Å |
| 2190 | F | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71 | -37.1 | 178.3 | -171.8 | -107.6 | 0 | 0 | 0 | 112.4 | L2172 F2173 L2176 L2186 M2187 M2188 M2193 I2194 I2224 | L2172-F2190 HydrophobicContact CB-CD2 3.81Å; L2172-F2190 HydrophobicContact CB-CE2 4.39Å; L2172-F2190 HydrophobicContact CD1-CD2 4.24Å; F2173-F2190 HydrophobicContact CD2-CE2 4.22Å; F2173-F2190 AromaticContact CD2-CZ 3.74Å; F2173-F2190 HydrophobicContact CD2-CZ 3.74Å; F2173-F2190 HydrophobicContact CE2-CZ 4.27Å; L2176-F2190 HydrophobicContact CD1-CB 3.59Å; L2176-F2190 HydrophobicContact CD1-CD1 3.33Å; L2176-F2190 HydrophobicContact CD1-CD2 3.96Å; L2176-F2190 HydrophobicContact CD1-CE1 3.87Å; L2176-F2190 HydrophobicContact CD1-CE2 4.43Å; L2176-F2190 HydrophobicContact CD1-CG 3.37Å; L2176-F2190 HydrophobicContact CD1-CZ 4.38Å; L2186-F2190 WeakPolarHBondContact O-CB 3.48Å; L2186-F2190 PolarHBondContact O-N 3.21Å; L2186-F2190 VanDerWaalsContact O-N 3.11Å; M2187-F2190 PolarHBondContact O-N 3.42Å; M2188-F2190 PolarHBondContact O-N 2.91Å; F2190-M2193 HydrophobicContact CD2-CE 3.81Å; F2190-M2193 HydrophobicContact CE2-CE 4.08Å; F2190-M2193 PolarHBondContact O-N 3.04Å; F2190-I2194 HydrophobicContact CD1-CD1 3.73Å; F2190-I2194 HydrophobicContact CD2-CD1 4.26Å; F2190-I2194 HydrophobicContact CE1-CD1 3.35Å; F2190-I2194 HydrophobicContact CE2-CD1 3.91Å; F2190-I2194 HydrophobicContact CG-CD1 4.19Å; F2190-I2194 HydrophobicContact CZ-CD1 3.45Å; F2190-I2194 VanDerWaalsContact CZ-CD1 3.45Å; F2190-I2194 WeakPolarHBondContact O-CG1 3.31Å; F2190-I2194 PolarHBondContact O-N 2.87Å; F2190-I2224 HydrophobicContact CD1-CD1 4.44Å |
| 2191 | I | 88.5 | Confident | 89.3 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 175.8 | -70.9 | 163 | 0 | 0 | 0 | 111 | P2008 F2009 M2187 M2188 I2194 N2195 I2224 | P2008-I2191 HydrophobicContact CB-CD1 4.18Å; P2008-I2191 HydrophobicContact CG-CD1 4.49Å; P2008-I2191 WeakPolarHBondContact O-CD1 3.39Å; F2009-I2191 HydrophobicContact CD1-CD1 3.72Å; F2009-I2191 HydrophobicContact CD1-CG1 4.19Å; F2009-I2191 HydrophobicContact CD1-CG2 3.89Å; F2009-I2191 HydrophobicContact CD2-CD1 4.49Å; F2009-I2191 HydrophobicContact CE1-CD1 3.62Å; F2009-I2191 HydrophobicContact CE1-CG1 3.97Å; F2009-I2191 HydrophobicContact CE1-CG2 4.41Å; F2009-I2191 HydrophobicContact CE2-CD1 4.4Å; F2009-I2191 HydrophobicContact CG-CD1 4.16Å; F2009-I2191 HydrophobicContact CZ-CD1 3.97Å; M2187-I2191 HydrophobicContact CB-CD1 4.3Å; M2187-I2191 WeakPolarHBondContact O-CB 3.49Å; M2187-I2191 WeakPolarHBondContact O-CD1 3.5Å; M2187-I2191 WeakPolarHBondContact O-CG1 3.48Å; M2187-I2191 PolarHBondContact O-N 3.19Å; M2188-I2191 PolarHBondContact O-N 2.98Å; I2191-I2194 PolarHBondContact O-N 2.92Å; I2191-N2195 WeakPolarHBondContact CG2-ND2 3.44Å; I2191-N2195 WeakPolarHBondContact O-CB 3.46Å; I2191-N2195 PolarHBondContact O-N 3.48Å; I2191-I2224 HydrophobicContact CD1-CG2 4.13Å |
| 2192 | E | 89.6 | Confident | 89.2 | Confident | 29 Ų | 29 | 33 Ų | 33 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.8 | -177.8 | 76 | -144.1 | 0 | 0 | 111.2 | I2012 L2153 M2188 I2194 N2196 Y2199 | I2012-E2192 HydrophobicContact CD1-CB 3.95Å; I2012-E2192 HydrophobicContact CD1-CG 3.7Å; I2012-E2192 HydrophobicContact CG1-CB 4.13Å; I2012-E2192 HydrophobicContact CG1-CG 3.94Å; I2012-E2192 WeakPolarHBondContact CG1-OE2 3.19Å; I2012-E2192 PolarHBondContact N-OE2 3Å; L2153-E2192 HydrophobicContact CD1-CB 4.34Å; L2153-E2192 HydrophobicContact CD1-CG 3.86Å; M2188-E2192 PolarHBondContact O-N 2.84Å; E2192-I2194 VanDerWaalsContact C-N 3.26Å; E2192-I2194 PolarHBondContact O-N 2.65Å; E2192-N2196 WeakPolarHBondContact O-CB 3.46Å; E2192-N2196 PolarHBondContact O-N 3.5Å; E2192-N2196 WeakPolarHBondContact OE1-CB 3.01Å; E2192-N2196 PolarHBondContact OE1-ND2 3.37Å; E2192-Y2199 HydrophobicContact CG-CE2 4.28Å |
| 2193 | M | 90.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -34.7 | 178.3 | -170.2 | 178.5 | 70.6 | 0 | 0 | 113.2 | L2153 F2156 I2168 L2172 T2189 F2190 F2201 | L2153-M2193 HydrophobicContact CD2-CB 3.74Å; L2153-M2193 HydrophobicContact CD2-CG 4.24Å; F2156-M2193 HydrophobicContact CD2-SD 3.79Å; F2156-M2193 HydrophobicContact CE2-SD 3.92Å; F2156-M2193 HydrophobicContact CG-SD 4.3Å; I2168-M2193 HydrophobicContact CG2-SD 4.47Å; L2172-M2193 HydrophobicContact CD1-CE 3.87Å; L2172-M2193 HydrophobicContact CD1-SD 3.96Å; T2189-M2193 WeakPolarHBondContact O-CB 3.41Å; T2189-M2193 PolarHBondContact O-N 2.71Å; T2189-M2193 VanDerWaalsContact O-N 3.13Å; F2190-M2193 HydrophobicContact CD2-CE 3.81Å; F2190-M2193 HydrophobicContact CE2-CE 4.08Å; F2190-M2193 PolarHBondContact O-N 3.04Å; M2193-F2201 HydrophobicContact CE-CD2 3.92Å; M2193-F2201 HydrophobicContact CE-CE2 3.72Å; M2193-F2201 HydrophobicContact CG-CD2 4.35Å |
| 2194 | I | 87.2 | Confident | 88.8 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -89.6 | -36.6 | -176.4 | -69.6 | 177.3 | 0 | 0 | 0 | 112.9 | F2190 I2191 E2192 F2201 W2202 M2221 | F2190-I2194 HydrophobicContact CD1-CD1 3.73Å; F2190-I2194 HydrophobicContact CD2-CD1 4.26Å; F2190-I2194 HydrophobicContact CE1-CD1 3.35Å; F2190-I2194 HydrophobicContact CE2-CD1 3.91Å; F2190-I2194 HydrophobicContact CG-CD1 4.19Å; F2190-I2194 HydrophobicContact CZ-CD1 3.45Å; F2190-I2194 VanDerWaalsContact CZ-CD1 3.45Å; F2190-I2194 WeakPolarHBondContact O-CG1 3.31Å; F2190-I2194 PolarHBondContact O-N 2.87Å; I2191-I2194 PolarHBondContact O-N 2.92Å; E2192-I2194 VanDerWaalsContact C-N 3.26Å; E2192-I2194 PolarHBondContact O-N 2.65Å; I2194-F2201 HydrophobicContact CD1-CE1 4.2Å; I2194-F2201 HydrophobicContact CD1-CZ 4.44Å; I2194-F2201 HydrophobicContact CG1-CD1 3.85Å; I2194-F2201 HydrophobicContact CG1-CD2 4.47Å; I2194-F2201 HydrophobicContact CG1-CE1 3.94Å; I2194-F2201 HydrophobicContact CG1-CG 4.13Å; I2194-F2201 HydrophobicContact CG1-CZ 4.29Å; I2194-W2202 HydrophobicContact CG2-CH2 4.46Å; I2194-W2202 HydrophobicContact CG2-CZ2 3.41Å; I2194-W2202 VanDerWaalsContact CG2-CZ2 3.41Å; I2194-W2202 PolarHBondContact O-NE1 3.43Å; I2194-M2221 HydrophobicContact CB-SD 4.42Å; I2194-M2221 HydrophobicContact CD1-CG 4.44Å; I2194-M2221 HydrophobicContact CG2-CE 3.82Å; I2194-M2221 HydrophobicContact CG2-SD 3.58Å; I2194-M2221 VanDerWaalsContact CG2-SD 3.58Å |
| 2195 | N | 85.1 | Confident | 88.4 | Confident | 94 Ų | 94 | 45.5 Ų | 45.5 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -87.3 | -28.4 | -175.8 | -73.3 | -22.8 | 0 | 0 | 0 | 113.4 | I2191 S2197 | I2191-N2195 WeakPolarHBondContact CG2-ND2 3.44Å; I2191-N2195 WeakPolarHBondContact O-CB 3.46Å; I2191-N2195 PolarHBondContact O-N 3.48Å; N2195-S2197 PolarHBondContact O-N 3.13Å |
| 2196 | N | 84.3 | Confident | 88.1 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | trans | -84.6 | 112.4 | -178.2 | -170.2 | -17.3 | 0 | 0 | 0 | 110.5 | E2192 S2198 Y2199 | E2192-N2196 WeakPolarHBondContact O-CB 3.46Å; E2192-N2196 PolarHBondContact O-N 3.5Å; E2192-N2196 WeakPolarHBondContact OE1-CB 3.01Å; E2192-N2196 PolarHBondContact OE1-ND2 3.37Å; N2196-S2198 PolarHBondContact O-N 2.85Å; N2196-S2198 PolarHBondContact OD1-N 3.1Å; N2196-S2198 PolarHBondContact OD1-OG 3.4Å; N2196-Y2199 HydrophobicContact CB-CD2 3.84Å; N2196-Y2199 HydrophobicContact CB-CE2 3.75Å; N2196-Y2199 PolarHBondContact O-N 3.31Å | ||
| 2197 | S | 85 | Confident | 87.6 | Confident | 108 Ų | 108 | 46.8 Ų | 46.8 | 76% | 0.755 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -64.7 | -11.2 | -174.4 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | N2195 Y2199 R2200 | N2195-S2197 PolarHBondContact O-N 3.13Å; S2197-Y2199 VanDerWaalsContact C-N 3.3Å; S2197-Y2199 PolarHBondContact O-N 3.24Å; S2197-R2200 PolarHBondContact O-N 2.92Å |
| 2198 | S | 85.2 | Confident | 87.2 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -62.2 | -35.3 | 173.1 | 63.6 | 0 | 0 | 0 | 0 | 113 | N2196 R2200 | N2196-S2198 PolarHBondContact O-N 2.85Å; N2196-S2198 PolarHBondContact OD1-N 3.1Å; N2196-S2198 PolarHBondContact OD1-OG 3.4Å; S2198-R2200 VanDerWaalsContact C-N 3.35Å |
| 2199 | Y | 88.4 | Confident | 86.5 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -80.6 | -13.1 | -178.1 | -55.3 | -65.7 | 0 | 0 | 0 | 113.8 | I2103 L2153 F2156 E2192 N2196 S2197 F2201 | I2103-Y2199 VanDerWaalsContact CD1-OH 3.23Å; I2103-Y2199 WeakPolarHBondContact CD1-OH 3.28Å; L2153-Y2199 HydrophobicContact CB-CE1 3.99Å; L2153-Y2199 HydrophobicContact CD2-CE1 4.28Å; L2153-Y2199 HydrophobicContact CD2-CE2 3.99Å; F2156-Y2199 HydrophobicContact CD1-CD1 4.47Å; E2192-Y2199 HydrophobicContact CG-CE2 4.28Å; N2196-Y2199 HydrophobicContact CB-CD2 3.84Å; N2196-Y2199 HydrophobicContact CB-CE2 3.75Å; N2196-Y2199 PolarHBondContact O-N 3.31Å; S2197-Y2199 VanDerWaalsContact C-N 3.3Å; S2197-Y2199 PolarHBondContact O-N 3.24Å; Y2199-F2201 PolarHBondContact O-N 2.72Å |
| 2200 | R | 88.3 | Confident | 85.4 | Confident | 170 Ų | 170 | 57.5 Ų | 57.5 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | trans | 49.7 | 32.4 | 179.8 | -56.5 | -174.3 | -173.9 | 163.6 | 2.1 | 114.7 | S2197 S2198 W2202 D2203 H2204 | S2197-R2200 PolarHBondContact O-N 2.92Å; S2198-R2200 VanDerWaalsContact C-N 3.35Å; R2200-W2202 PolarHBondContact O-N 3.32Å; R2200-D2203 HydrophobicContact CB-CB 4.22Å; R2200-D2203 WeakPolarHBondContact O-CB 3.41Å; R2200-D2203 PolarHBondContact O-N 3.09Å; R2200-H2204 PolarHBondContact O-CD2 3.32Å | ||
| 2201 | F | 88.2 | Confident | 84.6 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -45.9 | -45.4 | -174.5 | 178.3 | -97.3 | 0 | 0 | 0 | 113.6 | F2156 T2169 M2193 I2194 Y2199 D2203 V2207 | F2156-F2201 HydrophobicContact CZ-CD2 4.18Å; T2169-F2201 HydrophobicContact CG2-CE2 3.71Å; T2169-F2201 HydrophobicContact CG2-CZ 3.98Å; M2193-F2201 HydrophobicContact CE-CD2 3.92Å; M2193-F2201 HydrophobicContact CE-CE2 3.72Å; M2193-F2201 HydrophobicContact CG-CD2 4.35Å; I2194-F2201 HydrophobicContact CD1-CE1 4.2Å; I2194-F2201 HydrophobicContact CD1-CZ 4.44Å; I2194-F2201 HydrophobicContact CG1-CD1 3.85Å; I2194-F2201 HydrophobicContact CG1-CD2 4.47Å; I2194-F2201 HydrophobicContact CG1-CE1 3.94Å; I2194-F2201 HydrophobicContact CG1-CG 4.13Å; I2194-F2201 HydrophobicContact CG1-CZ 4.29Å; Y2199-F2201 PolarHBondContact O-N 2.72Å; F2201-D2203 VanDerWaalsContact C-N 3.27Å; F2201-D2203 PolarHBondContact O-N 3.44Å; F2201-V2207 HydrophobicContact CE1-CG1 4.18Å; F2201-V2207 HydrophobicContact CE1-CG2 4.1Å; F2201-V2207 HydrophobicContact CE2-CG2 4.17Å; F2201-V2207 HydrophobicContact CZ-CG2 3.88Å; F2201-V2207 WeakPolarHBondContact O-CG2 3.15Å |
| 2202 | W | 87.4 | Confident | 83.8 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 27% | 0.265 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -74.8 | -4.4 | -178.8 | -56.7 | 104.3 | 0 | 0 | 0 | 115.4 | I2194 R2200 V2207 R2208 E2214 A2217 R2218 M2221 | I2194-W2202 HydrophobicContact CG2-CH2 4.46Å; I2194-W2202 HydrophobicContact CG2-CZ2 3.41Å; I2194-W2202 VanDerWaalsContact CG2-CZ2 3.41Å; I2194-W2202 PolarHBondContact O-NE1 3.43Å; R2200-W2202 PolarHBondContact O-N 3.32Å; W2202-V2207 HydrophobicContact CE3-CG1 4.02Å; W2202-V2207 HydrophobicContact CZ3-CG1 4.34Å; W2202-R2208 PolarHBondContact O-NE 3.34Å; W2202-R2208 PolarHBondContact O-NH2 2.96Å; W2202-E2214 HydrophobicContact CE3-CG 4.15Å; W2202-E2214 HydrophobicContact CZ3-CG 3.74Å; W2202-A2217 HydrophobicContact CH2-CB 4.32Å; W2202-A2217 HydrophobicContact CZ3-CB 4.42Å; W2202-R2218 HydrophobicContact CH2-CG 3.94Å; W2202-R2218 HydrophobicContact CZ3-CG 4.36Å; W2202-M2221 HydrophobicContact CH2-CE 4.26Å; W2202-M2221 HydrophobicContact CZ2-CE 3.81Å |
| 2203 | D | 86.9 | Confident | 83 | Confident | 95 Ų | 95 | 69 Ų | 69 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -93.6 | -16.7 | 176.9 | -68.8 | -47.4 | 0 | 0 | 0 | 113.9 | R2200 F2201 R2208 | R2200-D2203 HydrophobicContact CB-CB 4.22Å; R2200-D2203 WeakPolarHBondContact O-CB 3.41Å; R2200-D2203 PolarHBondContact O-N 3.09Å; F2201-D2203 VanDerWaalsContact C-N 3.27Å; F2201-D2203 PolarHBondContact O-N 3.44Å; D2203-R2208 IonicContact OD1-CZ 2.8Å; D2203-R2208 IonicContact OD1-NH1 3.61Å; D2203-R2208 IonicContact OD1-NH2 2.76Å; D2203-R2208 PolarHBondContact OD1-NH2 3.41Å |
| 2204 | H | 87.6 | Confident | 82.3 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 13% | 0.134 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -68.4 | 144 | -177.7 | -74.6 | -80.9 | 0 | 0 | 0 | 113.4 | F2156 E2162 Q2165 R2200 F2206 V2207 R2208 | F2156-H2204 AromaticContact CE1-NE2 3.85Å; E2162-H2204 WeakPolarHBondContact OE1-CA 3.18Å; E2162-H2204 WeakPolarHBondContact OE1-CB 3.29Å; E2162-H2204 IonicContact OE1-CG 3.48Å; E2162-H2204 IonicContact OE1-ND1 2.65Å; E2162-H2204 PolarHBondContact OE1-ND1 2.86Å; Q2165-H2204 VanDerWaalsContact CD-CE1 3.4Å; Q2165-H2204 PolarHBondContact OE1-CE1 3.1Å; Q2165-H2204 PolarHBondContact OE1-ND1 3.03Å; R2200-H2204 PolarHBondContact O-CD2 3.32Å; H2204-F2206 HydrophobicContact CB-CD1 3.77Å; H2204-F2206 HydrophobicContact CB-CE1 3.45Å; H2204-F2206 VanDerWaalsContact CB-CE1 3.45Å; H2204-F2206 HydrophobicContact CB-CZ 4.01Å; H2204-F2206 AromaticContact CG-CE1 3.69Å; H2204-F2206 AromaticContact ND1-CE1 3.94Å; H2204-F2206 PolarHBondContact O-N 2.97Å; H2204-V2207 HydrophobicContact CB-CG2 4.36Å; H2204-V2207 PolarHBondContact O-N 3.05Å; H2204-R2208 PolarHBondContact O-N 2.91Å |
| 2205 | Y | 85.7 | Confident | 81.7 | Confident | 167 Ų | 167 | 79.4 Ų | 79.4 | 66% | 0.655 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | -178.4 | 176.5 | -102.5 | 0 | 0 | 0 | 111.5 | E2162 V2207 R2208 C2209 | E2162-Y2205 PolarHBondContact OE1-N 2.93Å; Y2205-V2207 PolarHBondContact O-N 3.36Å; Y2205-V2207 VanDerWaalsContact O-N 3.13Å; Y2205-R2208 CarbonylContact O-C 3.54Å; Y2205-R2208 PolarHBondContact O-N 3.16Å; Y2205-C2209 HydrophobicContact CD1-CB 4.32Å; Y2205-C2209 HydrophobicContact CE1-CB 3.93Å; Y2205-C2209 HydrophobicContact CE2-CB 4.18Å; Y2205-C2209 VanDerWaalsContact O-CB 3.25Å; Y2205-C2209 WeakPolarHBondContact O-CB 3.23Å; Y2205-C2209 PolarHBondContact O-N 3.3Å |
| 2206 | F | 85.6 | Confident | 80.9 | Confident | 23 Ų | 23 | 77.6 Ų | 77.6 | 10% | 0.101 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.8 | -14.9 | 178.8 | 71.5 | -95.1 | 0 | 0 | 0 | 114.3 | F2156 E2162 Q2165 E2166 T2169 H2204 | F2156-F2206 HydrophobicContact CE2-CZ 4.26Å; F2156-F2206 HydrophobicContact CZ-CZ 4.33Å; E2162-F2206 HydrophobicContact CG-CD1 4.12Å; E2162-F2206 HydrophobicContact CG-CE1 4.4Å; Q2165-F2206 HydrophobicContact CB-CE1 3.65Å; Q2165-F2206 HydrophobicContact CB-CZ 4.02Å; E2166-F2206 HydrophobicContact CB-CB 4.32Å; E2166-F2206 HydrophobicContact CB-CD1 4.12Å; E2166-F2206 HydrophobicContact CB-CD2 4.24Å; E2166-F2206 HydrophobicContact CB-CG 3.96Å; E2166-F2206 HydrophobicContact CG-CB 4.13Å; E2166-F2206 HydrophobicContact CG-CD2 4.29Å; E2166-F2206 HydrophobicContact CG-CG 4.17Å; T2169-F2206 HydrophobicContact CG2-CE2 4.08Å; T2169-F2206 WeakPolarHBondContact OG1-CE2 3.32Å; H2204-F2206 HydrophobicContact CB-CD1 3.77Å; H2204-F2206 HydrophobicContact CB-CE1 3.45Å; H2204-F2206 VanDerWaalsContact CB-CE1 3.45Å; H2204-F2206 HydrophobicContact CB-CZ 4.01Å; H2204-F2206 AromaticContact CG-CE1 3.69Å; H2204-F2206 AromaticContact ND1-CE1 3.94Å; H2204-F2206 PolarHBondContact O-N 2.97Å |
| 2207 | V | 82.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -91 | -33.5 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 111 | F2201 W2202 H2204 Y2205 | F2201-V2207 HydrophobicContact CE1-CG1 4.18Å; F2201-V2207 HydrophobicContact CE1-CG2 4.1Å; F2201-V2207 HydrophobicContact CE2-CG2 4.17Å; F2201-V2207 HydrophobicContact CZ-CG2 3.88Å; F2201-V2207 WeakPolarHBondContact O-CG2 3.15Å; W2202-V2207 HydrophobicContact CE3-CG1 4.02Å; W2202-V2207 HydrophobicContact CZ3-CG1 4.34Å; H2204-V2207 HydrophobicContact CB-CG2 4.36Å; H2204-V2207 PolarHBondContact O-N 3.05Å; Y2205-V2207 PolarHBondContact O-N 3.36Å; Y2205-V2207 VanDerWaalsContact O-N 3.13Å |
| 2208 | R | 80.7 | Confident | 79.7 | Confident | 144 Ų | 144 | 76.8 Ų | 76.8 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -89.7 | -17.3 | -177.5 | -67.9 | -175.3 | 174 | 170.3 | 3 | 114.9 | W2202 D2203 H2204 Y2205 S2210 | W2202-R2208 PolarHBondContact O-NE 3.34Å; W2202-R2208 PolarHBondContact O-NH2 2.96Å; D2203-R2208 IonicContact OD1-CZ 2.8Å; D2203-R2208 IonicContact OD1-NH1 3.61Å; D2203-R2208 IonicContact OD1-NH2 2.76Å; D2203-R2208 PolarHBondContact OD1-NH2 3.41Å; H2204-R2208 PolarHBondContact O-N 2.91Å; Y2205-R2208 CarbonylContact O-C 3.54Å; Y2205-R2208 PolarHBondContact O-N 3.16Å; R2208-S2210 PolarHBondContact O-N 3.45Å |
| 2209 | C | 77.1 | Confident | 78.9 | Confident | 65 Ų | 65 | 75.9 Ų | 75.9 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -68.5 | -18.9 | -174.2 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | Y2205 | Y2205-C2209 HydrophobicContact CD1-CB 4.32Å; Y2205-C2209 HydrophobicContact CE1-CB 3.93Å; Y2205-C2209 HydrophobicContact CE2-CB 4.18Å; Y2205-C2209 VanDerWaalsContact O-CB 3.25Å; Y2205-C2209 WeakPolarHBondContact O-CB 3.23Å; Y2205-C2209 PolarHBondContact O-N 3.3Å |
| 2210 | S | 69.9 | Low | 77.9 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | trans | -141.2 | 126.3 | 169.3 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | R2208 E2212 I2213 E2214 | R2208-S2210 PolarHBondContact O-N 3.45Å; S2210-E2212 PolarHBondContact O-N 3.35Å; S2210-E2212 WeakPolarHBondContact OG-CB 3.49Å; S2210-E2212 PolarHBondContact OG-N 2.97Å; S2210-E2212 VanDerWaalsContact OG-N 3.16Å; S2210-I2213 PolarHBondContact O-N 3.33Å; S2210-E2214 PolarHBondContact O-N 3.48Å | ||
| 2211 | P | 73.2 | Confident | 77.1 | Confident | 94 Ų | 94 | 69 Ų | 69 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.6 | -19.7 | 171.2 | -24.2 | 34.2 | 0 | 0 | 0 | 113.5 | R2215 | P2211-R2215 VanDerWaalsContact O-CB 3.27Å; P2211-R2215 WeakPolarHBondContact O-CB 3.44Å; P2211-R2215 PolarHBondContact O-N 3.46Å |
| 2212 | E | 72.2 | Confident | 76 | Confident | 117 Ų | 117 | 70.2 Ų | 70.2 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.1 | -40 | 175.9 | -167.5 | 174.6 | -159.3 | 0 | 0 | 112 | S2210 E2214 R2215 I2216 | S2210-E2212 PolarHBondContact O-N 3.35Å; S2210-E2212 WeakPolarHBondContact OG-CB 3.49Å; S2210-E2212 PolarHBondContact OG-N 2.97Å; S2210-E2212 VanDerWaalsContact OG-N 3.16Å; E2212-E2214 VanDerWaalsContact C-N 3.33Å; E2212-E2214 PolarHBondContact O-N 2.86Å; E2212-R2215 PolarHBondContact O-N 3.32Å; E2212-I2216 HydrophobicContact CG-CD1 3.86Å; E2212-I2216 HydrophobicContact CG-CG1 4.28Å; E2212-I2216 VanDerWaalsContact O-CG1 3.24Å; E2212-I2216 WeakPolarHBondContact O-CG1 3.3Å; E2212-I2216 PolarHBondContact O-N 2.89Å |
| 2213 | I | 71.9 | Confident | 74.9 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 35% | 0.349 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.7 | -65 | 172.7 | 0 | 0 | 0 | 109.6 | S2210 R2215 I2216 A2217 | S2210-I2213 PolarHBondContact O-N 3.33Å; I2213-R2215 PolarHBondContact O-N 2.69Å; I2213-I2216 PolarHBondContact O-N 3.42Å; I2213-A2217 VanDerWaalsContact O-CB 3.3Å; I2213-A2217 WeakPolarHBondContact O-CB 3.15Å; I2213-A2217 PolarHBondContact O-N 2.91Å |
| 2214 | E | 76.2 | Confident | 73.9 | Confident | 61 Ų | 61 | 69 Ų | 69 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.4 | -157.3 | -161 | 143.4 | 0 | 0 | 112 | W2202 S2210 E2212 A2217 R2218 | W2202-E2214 HydrophobicContact CE3-CG 4.15Å; W2202-E2214 HydrophobicContact CZ3-CG 3.74Å; S2210-E2214 PolarHBondContact O-N 3.48Å; E2212-E2214 VanDerWaalsContact C-N 3.33Å; E2212-E2214 PolarHBondContact O-N 2.86Å; E2214-A2217 PolarHBondContact O-N 3.4Å; E2214-R2218 WeakPolarHBondContact O-CB 3.43Å; E2214-R2218 WeakPolarHBondContact O-CG 3.46Å; E2214-R2218 PolarHBondContact O-N 2.63Å; E2214-R2218 IonicContact OE1-CZ 3.37Å; E2214-R2218 IonicContact OE1-NE 3.85Å; E2214-R2218 PolarHBondContact OE1-NE 3.44Å; E2214-R2218 IonicContact OE1-NH2 2.76Å; E2214-R2218 PolarHBondContact OE1-NH2 3.49Å |
| 2215 | R | 73.2 | Confident | 72.7 | Confident | 169 Ų | 169 | 76.5 Ų | 76.5 | 64% | 0.638 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 177.5 | -173.8 | -173.6 | -66.2 | 135.5 | -2.8 | 112.1 | P2211 E2212 I2213 R2218 S2219 | P2211-R2215 VanDerWaalsContact O-CB 3.27Å; P2211-R2215 WeakPolarHBondContact O-CB 3.44Å; P2211-R2215 PolarHBondContact O-N 3.46Å; E2212-R2215 PolarHBondContact O-N 3.32Å; I2213-R2215 PolarHBondContact O-N 2.69Å; R2215-R2218 PolarHBondContact O-N 2.81Å; R2215-S2219 VanDerWaalsContact O-CB 3.3Å; R2215-S2219 WeakPolarHBondContact O-CB 3.3Å; R2215-S2219 PolarHBondContact O-N 2.82Å |
| 2216 | I | 68.6 | Low | 71.2 | Confident | 56 Ų | 56 | 75.9 Ų | 75.9 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.4 | -36.5 | 178.7 | -52.7 | 160.6 | 0 | 0 | 0 | 109.8 | F2173 I2177 E2212 I2213 S2219 C2220 | F2173-I2216 HydrophobicContact CE1-CB 4.41Å; F2173-I2216 HydrophobicContact CE1-CG2 3.99Å; F2173-I2216 HydrophobicContact CE2-CG2 4.37Å; F2173-I2216 HydrophobicContact CZ-CB 3.82Å; F2173-I2216 HydrophobicContact CZ-CG2 3.43Å; F2173-I2216 VanDerWaalsContact CZ-CG2 3.43Å; I2177-I2216 HydrophobicContact CD1-CG2 3.79Å; E2212-I2216 HydrophobicContact CG-CD1 3.86Å; E2212-I2216 HydrophobicContact CG-CG1 4.28Å; E2212-I2216 VanDerWaalsContact O-CG1 3.24Å; E2212-I2216 WeakPolarHBondContact O-CG1 3.3Å; E2212-I2216 PolarHBondContact O-N 2.89Å; I2213-I2216 PolarHBondContact O-N 3.42Å; I2216-S2219 CarbonylContact O-C 3.45Å; I2216-S2219 WeakPolarHBondContact O-CB 3.43Å; I2216-S2219 PolarHBondContact O-N 2.98Å; I2216-C2220 WeakPolarHBondContact O-CB 3.44Å; I2216-C2220 PolarHBondContact O-N 3.23Å |
| 2217 | A | 69.3 | Low | 69.3 | Low | 4 Ų | 4 | 80.3 Ų | 80.3 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F2173 W2202 I2213 E2214 S2219 C2220 M2221 | F2173-A2217 HydrophobicContact CE2-CB 4.48Å; W2202-A2217 HydrophobicContact CH2-CB 4.32Å; W2202-A2217 HydrophobicContact CZ3-CB 4.42Å; I2213-A2217 VanDerWaalsContact O-CB 3.3Å; I2213-A2217 WeakPolarHBondContact O-CB 3.15Å; I2213-A2217 PolarHBondContact O-N 2.91Å; E2214-A2217 PolarHBondContact O-N 3.4Å; A2217-S2219 VanDerWaalsContact C-N 3.34Å; A2217-S2219 PolarHBondContact O-N 3Å; A2217-C2220 PolarHBondContact O-N 2.69Å; A2217-M2221 PolarHBondContact O-N 2.74Å; A2217-M2221 VanDerWaalsContact O-N 3.12Å |
| 2218 | R | 74.5 | Confident | 68.6 | Low | 143 Ų | 143 | 84.2 Ų | 84.2 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 172.8 | -69.1 | 174.3 | -177.8 | -92.1 | 5.4 | 111.8 | W2202 E2214 R2215 M2221 G2222 | W2202-R2218 HydrophobicContact CH2-CG 3.94Å; W2202-R2218 HydrophobicContact CZ3-CG 4.36Å; E2214-R2218 WeakPolarHBondContact O-CB 3.43Å; E2214-R2218 WeakPolarHBondContact O-CG 3.46Å; E2214-R2218 PolarHBondContact O-N 2.63Å; E2214-R2218 IonicContact OE1-CZ 3.37Å; E2214-R2218 IonicContact OE1-NE 3.85Å; E2214-R2218 PolarHBondContact OE1-NE 3.44Å; E2214-R2218 IonicContact OE1-NH2 2.76Å; E2214-R2218 PolarHBondContact OE1-NH2 3.49Å; R2215-R2218 PolarHBondContact O-N 2.81Å; R2218-M2221 PolarHBondContact O-N 3.33Å; R2218-G2222 PolarHBondContact O-N 2.99Å |
| 2219 | S | 69.3 | Low | 67.9 | Low | 56 Ų | 56 | 81 Ų | 81 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 112.7 | R2215 I2216 A2217 G2222 R2223 | R2215-S2219 VanDerWaalsContact O-CB 3.3Å; R2215-S2219 WeakPolarHBondContact O-CB 3.3Å; R2215-S2219 PolarHBondContact O-N 2.82Å; I2216-S2219 CarbonylContact O-C 3.45Å; I2216-S2219 WeakPolarHBondContact O-CB 3.43Å; I2216-S2219 PolarHBondContact O-N 2.98Å; A2217-S2219 VanDerWaalsContact C-N 3.34Å; A2217-S2219 PolarHBondContact O-N 3Å; S2219-G2222 CarbonylContact O-C 3.3Å; S2219-G2222 WeakPolarHBondContact O-CA 3.37Å; S2219-G2222 PolarHBondContact O-N 3.01Å; S2219-G2222 VanDerWaalsContact O-N 3.17Å; S2219-R2223 WeakPolarHBondContact O-CG 3.44Å; S2219-R2223 PolarHBondContact O-N 3.01Å |
| 2220 | C | 68 | Low | 67.4 | Low | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 173.9 | -79 | 0 | 0 | 0 | 0 | 111.3 | F2173 I2216 A2217 G2222 R2223 I2224 | F2173-C2220 HydrophobicContact CE2-CB 3.92Å; F2173-C2220 VanDerWaalsContact CE2-SG 3.54Å; I2216-C2220 WeakPolarHBondContact O-CB 3.44Å; I2216-C2220 PolarHBondContact O-N 3.23Å; A2217-C2220 PolarHBondContact O-N 2.69Å; C2220-G2222 VanDerWaalsContact C-N 3.3Å; C2220-G2222 PolarHBondContact O-N 3.36Å; C2220-R2223 PolarHBondContact O-N 2.69Å; C2220-I2224 WeakPolarHBondContact O-CD1 3.44Å; C2220-I2224 WeakPolarHBondContact O-CG1 3.37Å; C2220-I2224 PolarHBondContact O-N 3.26Å |
| 2221 | M | 70.3 | Confident | 67.3 | Low | 40 Ų | 40 | 84.6 Ų | 84.6 | 20% | 0.197 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 170.7 | -77.9 | -153.5 | -65.3 | 0 | 0 | 112.5 | I2194 W2202 A2217 R2218 I2224 R2225 | I2194-M2221 HydrophobicContact CB-SD 4.42Å; I2194-M2221 HydrophobicContact CD1-CG 4.44Å; I2194-M2221 HydrophobicContact CG2-CE 3.82Å; I2194-M2221 HydrophobicContact CG2-SD 3.58Å; I2194-M2221 VanDerWaalsContact CG2-SD 3.58Å; W2202-M2221 HydrophobicContact CH2-CE 4.26Å; W2202-M2221 HydrophobicContact CZ2-CE 3.81Å; A2217-M2221 PolarHBondContact O-N 2.74Å; A2217-M2221 VanDerWaalsContact O-N 3.12Å; R2218-M2221 PolarHBondContact O-N 3.33Å; M2221-I2224 PolarHBondContact O-N 3Å; M2221-R2225 WeakPolarHBondContact O-CB 3.3Å; M2221-R2225 PolarHBondContact O-N 3.01Å |
| 2222 | G | 65.6 | Low | 66.9 | Low | 34 Ų | 34 | 84 Ų | 84 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R2218 S2219 C2220 R2225 R2226 | R2218-G2222 PolarHBondContact O-N 2.99Å; S2219-G2222 CarbonylContact O-C 3.3Å; S2219-G2222 WeakPolarHBondContact O-CA 3.37Å; S2219-G2222 PolarHBondContact O-N 3.01Å; S2219-G2222 VanDerWaalsContact O-N 3.17Å; C2220-G2222 VanDerWaalsContact C-N 3.3Å; C2220-G2222 PolarHBondContact O-N 3.36Å; G2222-R2225 PolarHBondContact O-N 3.09Å; G2222-R2226 WeakPolarHBondContact O-CG 3.48Å; G2222-R2226 PolarHBondContact O-N 3.05Å |
| 2223 | R | 64.5 | Low | 66.6 | Low | 136 Ų | 136 | 81.8 Ų | 81.8 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 175 | -72.9 | 178 | 179.6 | -167.2 | 0.5 | 112.7 | S2219 C2220 R2226 | S2219-R2223 WeakPolarHBondContact O-CG 3.44Å; S2219-R2223 PolarHBondContact O-N 3.01Å; C2220-R2223 PolarHBondContact O-N 2.69Å; R2223-R2226 PolarHBondContact O-N 3.21Å |
| 2224 | I | 65 | Low | 66.2 | Low | 3 Ų | 3 | 82.8 Ų | 82.8 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -79 | -32 | 177.9 | -60.5 | 160.4 | 0 | 0 | 0 | 111 | F2009 L2176 M2187 F2190 I2191 C2220 M2221 R2226 Q2227 | F2009-I2224 HydrophobicContact CE2-CG2 4.26Å; F2009-I2224 HydrophobicContact CZ-CB 4.4Å; F2009-I2224 HydrophobicContact CZ-CG2 3.8Å; L2176-I2224 HydrophobicContact CD1-CD1 4.08Å; L2176-I2224 HydrophobicContact CD2-CD1 4.03Å; L2176-I2224 HydrophobicContact CG-CD1 4.45Å; M2187-I2224 HydrophobicContact CB-CG2 4.33Å; M2187-I2224 HydrophobicContact CG-CG2 4.21Å; M2187-I2224 HydrophobicContact SD-CG2 3.92Å; F2190-I2224 HydrophobicContact CD1-CD1 4.44Å; I2191-I2224 HydrophobicContact CD1-CG2 4.13Å; C2220-I2224 WeakPolarHBondContact O-CD1 3.44Å; C2220-I2224 WeakPolarHBondContact O-CG1 3.37Å; C2220-I2224 PolarHBondContact O-N 3.26Å; M2221-I2224 PolarHBondContact O-N 3Å; I2224-R2226 PolarHBondContact O-N 2.92Å; I2224-Q2227 WeakPolarHBondContact O-CB 3.38Å; I2224-Q2227 PolarHBondContact O-N 2.94Å |
| 2225 | R | 63.7 | Low | 65.4 | Low | 186 Ų | 186 | 84.5 Ų | 84.5 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.5 | 169.7 | -85.8 | -169.8 | 168.9 | 176.1 | -3.1 | 114.1 | F2009 M2221 G2222 | F2009-R2225 HydrophobicContact CE1-CG 3.7Å; F2009-R2225 HydrophobicContact CE2-CG 4.03Å; F2009-R2225 HydrophobicContact CZ-CB 4.15Å; F2009-R2225 HydrophobicContact CZ-CG 3.33Å; M2221-R2225 WeakPolarHBondContact O-CB 3.3Å; M2221-R2225 PolarHBondContact O-N 3.01Å; G2222-R2225 PolarHBondContact O-N 3.09Å |
| 2226 | R | 52.8 | Low | 64.8 | Low | 155 Ų | 155 | 77.4 Ų | 77.4 | 59% | 0.585 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 30.2 | 170.1 | -68.4 | 176.2 | 169 | 162.9 | -3 | 111.7 | E368 R2180 G2222 R2223 I2224 | E368-R2226 IonicContact OE1-CZ 3.2Å; E368-R2226 IonicContact OE1-NE 3.35Å; E368-R2226 PolarHBondContact OE1-NE 3.34Å; E368-R2226 IonicContact OE1-NH2 3.08Å; E368-R2226 PolarHBondContact OE1-NH2 3.16Å; E368-R2226 VanDerWaalsContact OE1-NH2 3.09Å; E368-R2226 IonicContact OE2-NH2 3.27Å; R2180-R2226 PolarHBondContact NH2-O 3.49Å; G2222-R2226 WeakPolarHBondContact O-CG 3.48Å; G2222-R2226 PolarHBondContact O-N 3.05Å; R2223-R2226 PolarHBondContact O-N 3.21Å; I2224-R2226 PolarHBondContact O-N 2.92Å |
| 2227 | Q | 45.6 | Very low | 64.4 | Low | 115 Ų | 115 | 79.4 Ų | 79.4 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | trans | -118.9 | 0 | 168 | -74.8 | -171 | -115.5 | 0 | 0 | 109.8 | R2180 H2182 I2224 | R2180-Q2227 VanDerWaalsContact CZ-CG 3.45Å; H2182-Q2227 PolarHBondContact ND1-OE1 2.87Å; I2224-Q2227 WeakPolarHBondContact O-CB 3.38Å; I2224-Q2227 PolarHBondContact O-N 2.94Å |
Retrieved 2,227 of 2,227 residues in 608.3 ms
(Link to these results)