| 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 | 45.1 | Very low | 57.7 | Low | 202 Ų | 202 | 109.7 Ų | 109.7 | 100% | 0.995 | 60% | 0.596 | S | S | * | * | 0 | 97.4 | 0 | -71 | -176.7 | 73.6 | 0 | 0 | 108 | |||||
| 2 | S | 57.1 | Low | 56.9 | Low | 63 Ų | 63 | 107.3 Ų | 107.3 | 44% | 0.441 | 59% | 0.588 | S | S | . | * | trans | -81.3 | 152.6 | 177.8 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | T4 D5 | S2-T4 WeakPolarHBondContact CB-OG1 3.33Å; S2-T4 PolarHBondContact O-N 3.42Å; S2-T4 PolarHBondContact OG-OG1 3.24Å; S2-D5 PolarHBondContact O-N 3.39Å | ||
| 3 | L | 58 | Low | 56.5 | Low | 126 Ų | 126 | 106.8 Ų | 106.8 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -44.2 | -31.3 | 175.3 | -157 | 103.1 | 0 | 0 | 0 | 112.9 | D5 Q6 L7 | L3-D5 PolarHBondContact O-N 3.38Å; L3-Q6 PolarHBondContact O-N 3.39Å; L3-L7 HydrophobicContact CD2-CD1 3.82Å; L3-L7 HydrophobicContact CG-CD1 4.34Å; L3-L7 WeakPolarHBondContact O-CB 3.06Å; L3-L7 VanDerWaalsContact O-CG 3.28Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.16Å |
| 4 | T | 64.2 | Low | 56 | Low | 80 Ų | 80 | 107.4 Ų | 107.4 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.5 | -37.6 | 174.7 | 39.3 | 0 | 0 | 0 | 0 | 114.7 | S2 R8 | S2-T4 WeakPolarHBondContact CB-OG1 3.33Å; S2-T4 PolarHBondContact O-N 3.42Å; S2-T4 PolarHBondContact OG-OG1 3.24Å; T4-R8 PolarHBondContact O-N 3.43Å; T4-R8 VanDerWaalsContact O-N 3.11Å |
| 5 | D | 62 | Low | 55.5 | Low | 71 Ų | 71 | 104.7 Ų | 104.7 | 38% | 0.38 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.3 | -35.4 | 178.9 | -69.2 | -29.3 | 0 | 0 | 0 | 111.5 | S2 L3 R8 A9 | S2-D5 PolarHBondContact O-N 3.39Å; L3-D5 PolarHBondContact O-N 3.38Å; D5-R8 PolarHBondContact O-N 2.98Å; D5-R8 IonicContact OD1-NH1 3.71Å; D5-R8 PolarHBondContact OD1-NH1 3.31Å; D5-A9 PolarHBondContact O-N 3.04Å; D5-A9 VanDerWaalsContact O-N 3.08Å |
| 6 | Q | 64.7 | Low | 54.9 | Low | 109 Ų | 109 | 101.7 Ų | 101.7 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -39.7 | 172.6 | -80 | 179.7 | -37.9 | 0 | 0 | 111.8 | L3 A9 L10 | L3-Q6 PolarHBondContact O-N 3.39Å; Q6-A9 PolarHBondContact O-N 3.36Å; Q6-L10 PolarHBondContact O-N 3.38Å; Q6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 60.5 | Low | 54.4 | Low | 107 Ų | 107 | 99 Ų | 99 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.6 | -35.5 | 175.9 | -73.1 | 171.1 | 0 | 0 | 0 | 112.5 | L3 L10 A11 | L3-L7 HydrophobicContact CD2-CD1 3.82Å; L3-L7 HydrophobicContact CG-CD1 4.34Å; L3-L7 WeakPolarHBondContact O-CB 3.06Å; L3-L7 VanDerWaalsContact O-CG 3.28Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.9Å; L7-A11 PolarHBondContact O-N 3.44Å |
| 8 | R | 58 | Low | 54.1 | Low | 177 Ų | 177 | 99.4 Ų | 99.4 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.2 | -34.4 | 176.1 | -159 | -176.8 | -65.7 | 126.5 | -1 | 112.1 | T4 D5 A11 | T4-R8 PolarHBondContact O-N 3.43Å; T4-R8 VanDerWaalsContact O-N 3.11Å; D5-R8 PolarHBondContact O-N 2.98Å; D5-R8 IonicContact OD1-NH1 3.71Å; D5-R8 PolarHBondContact OD1-NH1 3.31Å; R8-A11 WeakPolarHBondContact O-CB 3.4Å; R8-A11 PolarHBondContact O-N 3Å |
| 9 | A | 59.6 | Low | 53.7 | Low | 88 Ų | 88 | 99 Ų | 99 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.8 | -27.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D5 Q6 A11 | D5-A9 PolarHBondContact O-N 3.04Å; D5-A9 VanDerWaalsContact O-N 3.08Å; Q6-A9 PolarHBondContact O-N 3.36Å; A9-A11 VanDerWaalsContact C-N 3.32Å |
| 10 | L | 60.1 | Low | 53.5 | Low | 129 Ų | 129 | 97.6 Ų | 97.6 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.4 | 175.5 | -75.8 | 165.4 | 0 | 0 | 0 | 113.8 | Q6 L7 V12 | Q6-L10 PolarHBondContact O-N 3.38Å; Q6-L10 VanDerWaalsContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 2.9Å; L10-V12 PolarHBondContact O-N 3.31Å |
| 11 | A | 45.5 | Very low | 53.2 | Low | 55 Ų | 55 | 95.4 Ų | 95.4 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | trans | -75.3 | 75.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L7 R8 A9 | L7-A11 PolarHBondContact O-N 3.44Å; R8-A11 WeakPolarHBondContact O-CB 3.4Å; R8-A11 PolarHBondContact O-N 3Å; A9-A11 VanDerWaalsContact C-N 3.32Å | ||
| 12 | V | 47.9 | Very low | 53.5 | Low | 81 Ų | 81 | 90.1 Ų | 90.1 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | trans | -59.5 | 144.9 | 164.6 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | L10 I14 T15 S16 | L10-V12 PolarHBondContact O-N 3.31Å; V12-I14 PolarHBondContact O-N 3.36Å; V12-T15 PolarHBondContact N-OG1 3.27Å; V12-T15 PolarHBondContact O-N 3.19Å; V12-T15 PolarHBondContact O-OG1 3.35Å; V12-S16 PolarHBondContact O-N 3.4Å | ||
| 13 | P | 51.6 | Low | 53.2 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -52.8 | -32.2 | -175.3 | -27.7 | 33.9 | 0 | 0 | 0 | 114 | S16 S17 | P13-S16 WeakPolarHBondContact CA-OG 3.26Å; P13-S16 PolarHBondContact O-N 2.92Å; P13-S16 PolarHBondContact O-OG 2.96Å; P13-S17 PolarHBondContact O-N 2.61Å |
| 14 | I | 49.6 | Very low | 52.9 | Low | 115 Ų | 115 | 90.5 Ų | 90.5 | 59% | 0.59 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.2 | -43.7 | 178.4 | -56 | 168.2 | 0 | 0 | 0 | 111.2 | V12 S16 S17 Y18 | V12-I14 PolarHBondContact O-N 3.36Å; I14-S16 VanDerWaalsContact C-N 3.29Å; I14-S16 PolarHBondContact O-N 2.91Å; I14-S17 PolarHBondContact O-N 3.15Å; I14-S17 PolarHBondContact O-OG 3.31Å; I14-Y18 HydrophobicContact CG2-CD2 4.17Å; I14-Y18 HydrophobicContact CG2-CE2 3.71Å; I14-Y18 WeakPolarHBondContact O-CD2 3.47Å; I14-Y18 PolarHBondContact O-N 3.02Å |
| 15 | T | 49.1 | Very low | 53 | Low | 67 Ų | 67 | 90.5 Ų | 90.5 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -27.2 | 175.2 | 38.8 | 0 | 0 | 0 | 0 | 112 | V12 S17 Y18 V19 | V12-T15 PolarHBondContact N-OG1 3.27Å; V12-T15 PolarHBondContact O-N 3.19Å; V12-T15 PolarHBondContact O-OG1 3.35Å; T15-S17 VanDerWaalsContact C-N 3.35Å; T15-S17 PolarHBondContact O-N 2.86Å; T15-Y18 PolarHBondContact O-N 3.46Å; T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.36Å; T15-V19 PolarHBondContact O-N 3.5Å |
| 16 | S | 45.6 | Very low | 53.5 | Low | 57 Ų | 57 | 90.6 Ų | 90.6 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -31.9 | 174.4 | 76.9 | 0 | 0 | 0 | 0 | 113.4 | V12 P13 I14 V20 | V12-S16 PolarHBondContact O-N 3.4Å; P13-S16 WeakPolarHBondContact CA-OG 3.26Å; P13-S16 PolarHBondContact O-N 2.92Å; P13-S16 PolarHBondContact O-OG 2.96Å; I14-S16 VanDerWaalsContact C-N 3.29Å; I14-S16 PolarHBondContact O-N 2.91Å; S16-V20 WeakPolarHBondContact O-CB 3.37Å; S16-V20 WeakPolarHBondContact O-CG2 3.39Å; S16-V20 PolarHBondContact O-N 3.5Å |
| 17 | S | 46.8 | Very low | 54.3 | Low | 56 Ų | 56 | 86.2 Ų | 86.2 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.3 | -40.1 | 173.8 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | P13 I14 T15 | P13-S17 PolarHBondContact O-N 2.61Å; I14-S17 PolarHBondContact O-N 3.15Å; I14-S17 PolarHBondContact O-OG 3.31Å; T15-S17 VanDerWaalsContact C-N 3.35Å; T15-S17 PolarHBondContact O-N 2.86Å |
| 18 | Y | 48.5 | Very low | 55.1 | Low | 107 Ų | 107 | 82.2 Ų | 82.2 | 42% | 0.42 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.8 | -33.9 | -179.4 | -70.5 | -70.9 | 0 | 0 | 0 | 113.8 | I14 T15 | I14-Y18 HydrophobicContact CG2-CD2 4.17Å; I14-Y18 HydrophobicContact CG2-CE2 3.71Å; I14-Y18 WeakPolarHBondContact O-CD2 3.47Å; I14-Y18 PolarHBondContact O-N 3.02Å; T15-Y18 PolarHBondContact O-N 3.46Å |
| 19 | V | 46.8 | Very low | 56.2 | Low | 91 Ų | 91 | 76.4 Ų | 76.4 | 55% | 0.552 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.8 | -33.3 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | T15 D21 N22 V23 | T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.36Å; T15-V19 PolarHBondContact O-N 3.5Å; V19-D21 VanDerWaalsContact C-N 3.3Å; V19-D21 PolarHBondContact O-N 2.95Å; V19-N22 PolarHBondContact O-N 2.96Å; V19-V23 HydrophobicContact CG1-CG2 4.47Å; V19-V23 WeakPolarHBondContact O-CG2 3.18Å; V19-V23 PolarHBondContact O-N 3.39Å |
| 20 | V | 48.4 | Very low | 57 | Low | 71 Ų | 71 | 75.2 Ų | 75.2 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.1 | -33.3 | 179.4 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | S16 N22 V23 H24 | S16-V20 WeakPolarHBondContact O-CB 3.37Å; S16-V20 WeakPolarHBondContact O-CG2 3.39Å; S16-V20 PolarHBondContact O-N 3.5Å; V20-N22 PolarHBondContact O-N 3.29Å; V20-V23 PolarHBondContact O-N 3.16Å; V20-H24 VanDerWaalsContact CG1-CD2 3.43Å; V20-H24 WeakPolarHBondContact CG1-CD2 3.41Å; V20-H24 PolarHBondContact O-CD2 3.07Å; V20-H24 PolarHBondContact O-N 3.29Å |
| 21 | D | 48.5 | Very low | 57.5 | Low | 52 Ų | 52 | 78.4 Ų | 78.4 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.1 | -29.3 | 179.6 | -82 | -26.7 | 0 | 0 | 0 | 114.5 | V19 R25 Q119 | V19-D21 VanDerWaalsContact C-N 3.3Å; V19-D21 PolarHBondContact O-N 2.95Å; D21-R25 WeakPolarHBondContact O-CG 3.4Å; D21-Q119 PolarHBondContact OD1-NE2 3.08Å |
| 22 | N | 50.7 | Low | 58.5 | Low | 90 Ų | 90 | 79.9 Ų | 79.9 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -81.8 | -34.5 | 176.7 | -81.7 | -11.9 | 0 | 0 | 0 | 112.6 | V19 V20 H24 R25 | V19-N22 PolarHBondContact O-N 2.96Å; V20-N22 PolarHBondContact O-N 3.29Å; N22-H24 VanDerWaalsContact C-N 3.31Å; N22-H24 PolarHBondContact O-N 3.23Å; N22-R25 PolarHBondContact OD1-NE 2.75Å; N22-R25 PolarHBondContact OD1-NH2 3.42Å |
| 23 | V | 50.5 | Low | 59.3 | Low | 107 Ų | 107 | 76.2 Ų | 76.2 | 65% | 0.648 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.9 | -24 | -176.7 | 177.8 | 0 | 0 | 0 | 0 | 112 | V19 V20 | V19-V23 HydrophobicContact CG1-CG2 4.47Å; V19-V23 WeakPolarHBondContact O-CG2 3.18Å; V19-V23 PolarHBondContact O-N 3.39Å; V20-V23 PolarHBondContact O-N 3.16Å |
| 24 | H | 53.2 | Low | 60 | Low | 90 Ų | 90 | 75.8 Ų | 75.8 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 9 | -178.4 | -63.9 | -48.6 | 0 | 0 | 0 | 115.2 | V20 N22 K26 | V20-H24 VanDerWaalsContact CG1-CD2 3.43Å; V20-H24 WeakPolarHBondContact CG1-CD2 3.41Å; V20-H24 PolarHBondContact O-CD2 3.07Å; V20-H24 PolarHBondContact O-N 3.29Å; N22-H24 VanDerWaalsContact C-N 3.31Å; N22-H24 PolarHBondContact O-N 3.23Å; H24-K26 PolarHBondContact O-N 3.24Å; H24-K26 VanDerWaalsContact O-N 3.15Å |
| 25 | R | 65 | Low | 61 | Low | 81 Ų | 81 | 78 Ų | 78 | 31% | 0.306 | 41% | 0.408 | S | S | . | . | trans | -64.3 | 118.2 | 177.4 | -65.4 | -170.5 | -178.7 | 175.8 | -1.7 | 110.4 | D21 N22 A33 | D21-R25 WeakPolarHBondContact O-CG 3.4Å; N22-R25 PolarHBondContact OD1-NE 2.75Å; N22-R25 PolarHBondContact OD1-NH2 3.42Å; R25-A33 HydrophobicContact CB-CB 4.29Å | ||
| 26 | K | 73.4 | Confident | 62 | Low | 72 Ų | 72 | 76.7 Ų | 76.7 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | trans | -114.4 | 155.9 | 173.3 | -67 | -175.5 | 179 | -172.4 | 0 | 109.6 | H24 I147 L148 | H24-K26 PolarHBondContact O-N 3.24Å; H24-K26 VanDerWaalsContact O-N 3.15Å; K26-I147 HydrophobicContact CB-CB 4.41Å; K26-I147 HydrophobicContact CB-CG2 4.49Å; K26-I147 HydrophobicContact CD-CB 4.17Å; K26-I147 WeakPolarHBondContact CD-O 3.33Å; K26-I147 PolarHBondContact NZ-O 3.24Å; K26-L148 PolarHBondContact NZ-O 2.89Å | ||
| 27 | S | 80.8 | Confident | 63.5 | Low | 17 Ų | 17 | 78.1 Ų | 78.1 | 12% | 0.119 | 40% | 0.401 | C | S | . | . | trans | -137.1 | 149.3 | 179.8 | 176 | 0 | 0 | 0 | 0 | 110.1 | I29 Y30 E112 | S27-I29 PolarHBondContact OG-N 2.93Å; S27-I29 VanDerWaalsContact OG-N 3.13Å; S27-Y30 WeakPolarHBondContact CB-O 3.37Å; S27-Y30 WeakPolarHBondContact OG-CB 3.34Å; S27-Y30 VanDerWaalsContact OG-CD2 3.26Å; S27-Y30 WeakPolarHBondContact OG-CD2 3.22Å; S27-Y30 PolarHBondContact OG-N 3.17Å; S27-E112 VanDerWaalsContact CA-OE1 3.31Å; S27-E112 WeakPolarHBondContact CA-OE1 3.2Å; S27-E112 WeakPolarHBondContact CB-OE1 3.47Å; S27-E112 PolarHBondContact OG-OE1 3.24Å; S27-E112 PolarHBondContact OG-OE2 3.07Å | ||
| 28 | L | 78.2 | Confident | 65 | Low | 24 Ų | 24 | 77.5 Ų | 77.5 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -83.2 | -23.7 | 171.2 | -64.1 | 165 | 0 | 0 | 0 | 112.2 | V108 L111 E112 V115 F144 I147 | L28-V108 HydrophobicContact CB-CG1 4.38Å; L28-V108 HydrophobicContact CD1-CG1 4.41Å; L28-L111 HydrophobicContact CD1-CD2 4.45Å; L28-L111 HydrophobicContact CD1-CG 4.43Å; L28-E112 WeakPolarHBondContact CA-OE2 2.96Å; L28-E112 VanDerWaalsContact CB-OE2 3.26Å; L28-E112 WeakPolarHBondContact CB-OE2 3.02Å; L28-E112 PolarHBondContact N-OE2 3.49Å; L28-V115 HydrophobicContact CD1-CB 4.43Å; L28-V115 HydrophobicContact CD1-CG2 3.61Å; L28-V115 HydrophobicContact CG-CG1 4.48Å; L28-V115 HydrophobicContact CG-CG2 4.05Å; L28-F144 HydrophobicContact CD1-CD1 3.88Å; L28-F144 HydrophobicContact CD1-CE1 3.35Å; L28-F144 HydrophobicContact CD1-CZ 4.28Å; L28-F144 HydrophobicContact CD2-CD1 3.4Å; L28-F144 HydrophobicContact CD2-CE1 3.71Å; L28-F144 HydrophobicContact CD2-CG 4.18Å; L28-F144 HydrophobicContact CG-CD1 4.29Å; L28-F144 HydrophobicContact CG-CE1 4.17Å; L28-I147 HydrophobicContact CD2-CD1 3.64Å; L28-I147 HydrophobicContact CD2-CG1 4.08Å; L28-I147 HydrophobicContact CD2-CG2 4.09Å; L28-I147 HydrophobicContact CG-CD1 4.1Å |
| 29 | I | 80 | Confident | 66.5 | Low | 55 Ų | 55 | 78.8 Ų | 78.8 | 28% | 0.282 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -109.3 | -40.2 | -173 | -64 | 176.5 | 0 | 0 | 0 | 111.4 | S27 F105 Q109 E112 | S27-I29 PolarHBondContact OG-N 2.93Å; S27-I29 VanDerWaalsContact OG-N 3.13Å; I29-F105 HydrophobicContact CD1-CZ 4.18Å; I29-F105 HydrophobicContact CG1-CZ 4.5Å; I29-Q109 HydrophobicContact CD1-CB 3.73Å; I29-Q109 HydrophobicContact CD1-CG 3.79Å; I29-E112 HydrophobicContact CD1-CB 4.05Å; I29-E112 HydrophobicContact CD1-CG 4.29Å |
| 30 | Y | 77.4 | Confident | 68.1 | Low | 62 Ų | 62 | 77.7 Ų | 77.7 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | trans | -100.4 | 130.2 | -170.2 | -54.2 | -65.8 | 0 | 0 | 0 | 111.3 | S27 I36 E112 | S27-Y30 WeakPolarHBondContact CB-O 3.37Å; S27-Y30 WeakPolarHBondContact OG-CB 3.34Å; S27-Y30 VanDerWaalsContact OG-CD2 3.26Å; S27-Y30 WeakPolarHBondContact OG-CD2 3.22Å; S27-Y30 PolarHBondContact OG-N 3.17Å; Y30-I36 HydrophobicContact CD1-CD1 3.16Å; Y30-I36 HydrophobicContact CD2-CD1 3.41Å; Y30-I36 VanDerWaalsContact CD2-CD1 3.41Å; Y30-I36 HydrophobicContact CE1-CD1 3.67Å; Y30-I36 HydrophobicContact CE2-CD1 3.91Å; Y30-I36 HydrophobicContact CG-CD1 3Å; Y30-E112 HydrophobicContact CE2-CG 4.25Å | ||
| 31 | E | 69.3 | Low | 69.7 | Low | 196 Ų | 196 | 74.3 Ų | 74.3 | 92% | 0.916 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -69.9 | -43.5 | 179.4 | -63.8 | -176.5 | 167.4 | 0 | 0 | 111.7 | ||
| 32 | D | 67.7 | Low | 71.5 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | trans | -110.3 | 73.7 | 178.3 | -75.5 | -21.1 | 0 | 0 | 0 | 111.4 | S34 K35 | D32-S34 PolarHBondContact O-N 3.37Å; D32-K35 HydrophobicContact CB-CB 4.49Å; D32-K35 HydrophobicContact CB-CD 3.87Å; D32-K35 HydrophobicContact CB-CG 4.16Å; D32-K35 PolarHBondContact O-N 3.45Å; D32-K35 WeakPolarHBondContact OD2-CE 2.79Å; D32-K35 IonicContact OD2-NZ 3.38Å; D32-K35 PolarHBondContact OD2-NZ 2.83Å | ||
| 33 | A | 64.4 | Low | 73.1 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -56.8 | -23.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R25 K35 F116 | R25-A33 HydrophobicContact CB-CB 4.29Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 2.65Å; A33-F116 HydrophobicContact CB-CE2 4.38Å |
| 34 | S | 66.4 | Low | 74.8 | Confident | 90 Ų | 90 | 67.6 Ų | 67.6 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -71.1 | -19.9 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | D32 | D32-S34 PolarHBondContact O-N 3.37Š|
| 35 | K | 71.1 | Confident | 76.5 | Confident | 162 Ų | 162 | 63.3 Ų | 63.3 | 70% | 0.704 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -86.3 | -14 | -179 | -70.5 | 178.5 | -179.9 | 161 | 0 | 113.5 | D32 A33 | D32-K35 HydrophobicContact CB-CB 4.49Å; D32-K35 HydrophobicContact CB-CD 3.87Å; D32-K35 HydrophobicContact CB-CG 4.16Å; D32-K35 PolarHBondContact O-N 3.45Å; D32-K35 WeakPolarHBondContact OD2-CE 2.79Å; D32-K35 IonicContact OD2-NZ 3.38Å; D32-K35 PolarHBondContact OD2-NZ 2.83Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 2.65Å |
| 36 | I | 69.8 | Low | 77.6 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 21% | 0.205 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -95.4 | 129.9 | -169.7 | -62.8 | 173.9 | 0 | 0 | 0 | 109.7 | Y30 C41 | Y30-I36 HydrophobicContact CD1-CD1 3.16Å; Y30-I36 HydrophobicContact CD2-CD1 3.41Å; Y30-I36 VanDerWaalsContact CD2-CD1 3.41Å; Y30-I36 HydrophobicContact CE1-CD1 3.67Å; Y30-I36 HydrophobicContact CE2-CD1 3.91Å; Y30-I36 HydrophobicContact CG-CD1 3Å; I36-C41 HydrophobicContact CG2-CB 4.1Å |
| 37 | D | 76.4 | Confident | 78.3 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | trans | -71 | 140.2 | 176 | -165.6 | 6.3 | 0 | 0 | 0 | 111.1 | Q39 S40 C41 | D37-Q39 VanDerWaalsContact C-N 3.28Å; D37-Q39 PolarHBondContact O-N 3.39Å; D37-S40 PolarHBondContact O-N 3.22Å; D37-S40 VanDerWaalsContact O-N 3.16Å; D37-C41 PolarHBondContact O-N 3.44Å | ||
| 38 | T | 78.4 | Confident | 78.6 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | -178.4 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | C41 Y42 F116 | T38-C41 PolarHBondContact O-N 2.92Å; T38-Y42 WeakPolarHBondContact O-CB 3.19Å; T38-Y42 PolarHBondContact O-N 3.34Å; T38-F116 HydrophobicContact CG2-CE1 3.94Å |
| 39 | Q | 79.3 | Confident | 79.1 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.4 | -38.3 | 178.7 | -74.2 | 169.2 | -17.7 | 0 | 0 | 112.1 | D37 Y42 S43 | D37-Q39 VanDerWaalsContact C-N 3.28Å; D37-Q39 PolarHBondContact O-N 3.39Å; Q39-Y42 PolarHBondContact O-N 2.89Å; Q39-S43 PolarHBondContact O-N 2.98Å; Q39-S43 PolarHBondContact O-OG 3.36Å |
| 40 | S | 80.8 | Confident | 79.6 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 174.4 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | D37 S43 S44 | D37-S40 PolarHBondContact O-N 3.22Å; D37-S40 VanDerWaalsContact O-N 3.16Å; S40-S43 PolarHBondContact O-OG 2.88Å; S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 3.18Å; S40-S44 VanDerWaalsContact O-N 3.17Å |
| 41 | C | 83.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | I36 D37 T38 S44 C45 F116 | I36-C41 HydrophobicContact CG2-CB 4.1Å; D37-C41 PolarHBondContact O-N 3.44Å; T38-C41 PolarHBondContact O-N 2.92Å; C41-S44 PolarHBondContact O-N 2.82Å; C41-C45 WeakPolarHBondContact O-CB 3.49Å; C41-C45 PolarHBondContact O-N 3.29Å; C41-C45 PolarHBondContact O-SG 2.91Å; C41-F116 HydrophobicContact CB-CD1 4.3Å; C41-F116 HydrophobicContact CB-CE1 4.19Å |
| 42 | Y | 84.7 | Confident | 81 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.2 | -51.4 | 178.1 | 175.9 | -105.1 | 0 | 0 | 0 | 112.1 | T38 Q39 S44 C45 L46 F67 S68 V69 W113 | T38-Y42 WeakPolarHBondContact O-CB 3.19Å; T38-Y42 PolarHBondContact O-N 3.34Å; Q39-Y42 PolarHBondContact O-N 2.89Å; Y42-S44 VanDerWaalsContact C-N 3.3Å; Y42-S44 PolarHBondContact O-N 2.98Å; Y42-C45 PolarHBondContact O-N 3.48Å; Y42-L46 HydrophobicContact CE1-CD2 4.04Å; Y42-L46 VanDerWaalsContact O-CB 3.3Å; Y42-L46 WeakPolarHBondContact O-CB 3.36Å; Y42-L46 PolarHBondContact O-N 2.94Å; Y42-F67 PolarHBondContact OH-O 3.07Å; Y42-S68 VanDerWaalsContact OH-C 3.28Å; Y42-S68 PolarHBondContact OH-O 3.39Å; Y42-V69 PolarHBondContact OH-N 3.34Å; Y42-W113 HydrophobicContact CD2-CD2 4.04Å; Y42-W113 AromaticContact CD2-CE2 3.66Å; Y42-W113 HydrophobicContact CD2-CE3 4.21Å; Y42-W113 AromaticContact CD2-CH2 3.71Å; Y42-W113 HydrophobicContact CD2-CH2 3.71Å; Y42-W113 AromaticContact CD2-CZ2 3.5Å; Y42-W113 HydrophobicContact CD2-CZ2 3.5Å; Y42-W113 HydrophobicContact CD2-CZ3 4.06Å; Y42-W113 HydrophobicContact CE2-CZ2 4.17Å; Y42-W113 HydrophobicContact CG-CH2 4.13Å; Y42-W113 HydrophobicContact CG-CZ2 4.36Å; Y42-W113 HydrophobicContact CG-CZ3 4.31Å |
| 43 | S | 85.2 | Confident | 81.9 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | -178.9 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | Q39 S40 K47 | Q39-S43 PolarHBondContact O-N 2.98Å; Q39-S43 PolarHBondContact O-OG 3.36Å; S40-S43 PolarHBondContact O-OG 2.88Å; S43-K47 WeakPolarHBondContact O-CG 3.47Å; S43-K47 PolarHBondContact O-N 3.48Å |
| 44 | S | 85.9 | Confident | 82.9 | Confident | 29 Ų | 29 | 63 Ų | 63 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | S40 C41 Y42 S48 Q109 | S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 3.18Å; S40-S44 VanDerWaalsContact O-N 3.17Å; C41-S44 PolarHBondContact O-N 2.82Å; Y42-S44 VanDerWaalsContact C-N 3.3Å; Y42-S44 PolarHBondContact O-N 2.98Å; S44-S48 PolarHBondContact O-N 2.86Å; S44-S48 PolarHBondContact O-OG 3.32Å; S44-S48 VanDerWaalsContact O-OG 3.06Å; S44-Q109 PolarHBondContact OG-NE2 2.85Å |
| 45 | C | 88 | Confident | 83.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.4 | -36.4 | 178.8 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | C41 Y42 S48 F49 Q109 W113 | C41-C45 WeakPolarHBondContact O-CB 3.49Å; C41-C45 PolarHBondContact O-N 3.29Å; C41-C45 PolarHBondContact O-SG 2.91Å; Y42-C45 PolarHBondContact O-N 3.48Å; C45-S48 CarbonylContact O-C 3.55Å; C45-S48 WeakPolarHBondContact O-CB 3.47Å; C45-S48 PolarHBondContact O-N 3.46Å; C45-S48 VanDerWaalsContact O-N 3.13Å; C45-F49 WeakPolarHBondContact O-CB 3.4Å; C45-F49 PolarHBondContact O-N 3.1Å; C45-Q109 PolarHBondContact SG-O 3.11Å; C45-W113 HydrophobicContact CB-CB 3.79Å |
| 46 | L | 88.3 | Confident | 84 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.6 | -175.4 | 67.1 | 0 | 0 | 0 | 111.4 | Y42 S48 F49 E50 F67 | Y42-L46 HydrophobicContact CE1-CD2 4.04Å; Y42-L46 VanDerWaalsContact O-CB 3.3Å; Y42-L46 WeakPolarHBondContact O-CB 3.36Å; Y42-L46 PolarHBondContact O-N 2.94Å; L46-S48 PolarHBondContact O-N 2.81Å; L46-F49 HydrophobicContact CD1-CD1 4.39Å; L46-F49 CarbonylContact O-C 3.39Å; L46-F49 WeakPolarHBondContact O-CB 3.33Å; L46-F49 PolarHBondContact O-N 3.26Å; L46-F49 VanDerWaalsContact O-N 3.08Å; L46-E50 WeakPolarHBondContact O-CG 3.43Å; L46-E50 PolarHBondContact O-N 3.17Å; L46-F67 HydrophobicContact CD1-CB 4.23Å |
| 47 | K | 88.6 | Confident | 84.6 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.3 | -33.7 | 173.6 | -72.5 | 178.2 | -178.7 | -174.7 | 0 | 112.7 | S43 K51 | S43-K47 WeakPolarHBondContact O-CG 3.47Å; S43-K47 PolarHBondContact O-N 3.48Å; K47-K51 WeakPolarHBondContact O-CG 3.35Å; K47-K51 PolarHBondContact O-N 3.44Å |
| 48 | S | 87.7 | Confident | 84.7 | Confident | 7 Ų | 7 | 59 Ų | 59 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77.2 | -37.8 | 178 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | S44 C45 L46 K51 L52 V106 Q109 | S44-S48 PolarHBondContact O-N 2.86Å; S44-S48 PolarHBondContact O-OG 3.32Å; S44-S48 VanDerWaalsContact O-OG 3.06Å; C45-S48 CarbonylContact O-C 3.55Å; C45-S48 WeakPolarHBondContact O-CB 3.47Å; C45-S48 PolarHBondContact O-N 3.46Å; C45-S48 VanDerWaalsContact O-N 3.13Å; L46-S48 PolarHBondContact O-N 2.81Å; S48-K51 PolarHBondContact O-N 2.99Å; S48-L52 WeakPolarHBondContact O-CB 3.37Å; S48-L52 PolarHBondContact O-N 3.46Å; S48-V106 WeakPolarHBondContact O-CG1 3.31Å; S48-Q109 WeakPolarHBondContact OG-CG 3.47Å; S48-Q109 PolarHBondContact OG-NE2 3.38Å; S48-Q109 PolarHBondContact OG-OE1 3.41Å |
| 49 | F | 88.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 173.4 | 173.4 | -101.8 | 0 | 0 | 0 | 112.1 | C45 L46 L52 C53 F59 F62 F67 F94 A110 | C45-F49 WeakPolarHBondContact O-CB 3.4Å; C45-F49 PolarHBondContact O-N 3.1Å; L46-F49 HydrophobicContact CD1-CD1 4.39Å; L46-F49 CarbonylContact O-C 3.39Å; L46-F49 WeakPolarHBondContact O-CB 3.33Å; L46-F49 PolarHBondContact O-N 3.26Å; L46-F49 VanDerWaalsContact O-N 3.08Å; F49-L52 CarbonylContact O-C 3.58Å; F49-L52 WeakPolarHBondContact O-CA 3.39Å; F49-L52 WeakPolarHBondContact O-CB 3.27Å; F49-L52 PolarHBondContact O-N 3.06Å; F49-L52 VanDerWaalsContact O-N 3.13Å; F49-C53 VanDerWaalsContact CZ-SG 3.51Å; F49-C53 PolarHBondContact O-N 3.39Å; F49-C53 PolarHBondContact O-SG 3.31Å; F49-F59 HydrophobicContact CE2-CB 4.04Å; F49-F59 WeakPolarHBondContact CZ-O 3.4Å; F49-F62 HydrophobicContact CE2-CB 4.12Å; F49-F62 HydrophobicContact CZ-CB 4.1Å; F49-F67 HydrophobicContact CB-CD1 3.94Å; F49-F67 HydrophobicContact CB-CE1 3.92Å; F49-F67 HydrophobicContact CB-CG 4.29Å; F49-F67 HydrophobicContact CB-CZ 4.26Å; F49-F67 HydrophobicContact CD1-CB 3.99Å; F49-F67 HydrophobicContact CD1-CD1 4.34Å; F49-F67 HydrophobicContact CD1-CD2 4.13Å; F49-F67 AromaticContact CD1-CG 3.9Å; F49-F67 HydrophobicContact CD1-CG 3.9Å; F49-F67 HydrophobicContact CD2-CD1 4.33Å; F49-F67 AromaticContact CD2-CD2 3.5Å; F49-F67 HydrophobicContact CD2-CD2 3.5Å; F49-F67 HydrophobicContact CD2-CE1 4.25Å; F49-F67 AromaticContact CD2-CE2 3.43Å; F49-F67 HydrophobicContact CD2-CE2 3.43Å; F49-F67 VanDerWaalsContact CD2-CE2 3.43Å; F49-F67 AromaticContact CD2-CG 3.98Å; F49-F67 HydrophobicContact CD2-CG 3.98Å; F49-F67 AromaticContact CD2-CZ 3.82Å; F49-F67 HydrophobicContact CD2-CZ 3.82Å; F49-F67 HydrophobicContact CE1-CB 4.06Å; F49-F67 HydrophobicContact CE1-CD2 4.15Å; F49-F67 HydrophobicContact CE1-CG 4.19Å; F49-F67 AromaticContact CE2-CD2 3.52Å; F49-F67 HydrophobicContact CE2-CD2 3.52Å; F49-F67 AromaticContact CE2-CE2 3.68Å; F49-F67 HydrophobicContact CE2-CE2 3.68Å; F49-F67 HydrophobicContact CE2-CG 4.26Å; F49-F67 HydrophobicContact CG-CB 4.37Å; F49-F67 AromaticContact CG-CD1 3.94Å; F49-F67 HydrophobicContact CG-CD1 3.94Å; F49-F67 AromaticContact CG-CD2 3.81Å; F49-F67 HydrophobicContact CG-CD2 3.81Å; F49-F67 HydrophobicContact CG-CE1 4.14Å; F49-F67 HydrophobicContact CG-CE2 4.03Å; F49-F67 AromaticContact CG-CG 3.77Å; F49-F67 HydrophobicContact CG-CG 3.77Å; F49-F67 HydrophobicContact CG-CZ 4.19Å; F49-F67 HydrophobicContact CZ-CB 4.5Å; F49-F67 AromaticContact CZ-CD2 3.84Å; F49-F67 HydrophobicContact CZ-CD2 3.84Å; F49-F67 HydrophobicContact CZ-CE2 4.45Å; F49-F67 HydrophobicContact CZ-CG 4.35Å; F49-F94 HydrophobicContact CD2-CE2 4.41Å; F49-F94 HydrophobicContact CE2-CE2 4.21Å; F49-A110 HydrophobicContact CB-CB 4.38Å |
| 50 | E | 90 | Very high | 85.3 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 173.5 | -73.9 | 169.5 | 175.5 | 0 | 0 | 111.1 | L46 L52 C53 E54 | L46-E50 WeakPolarHBondContact O-CG 3.43Å; L46-E50 PolarHBondContact O-N 3.17Å; E50-L52 PolarHBondContact O-N 3.36Å; E50-C53 CarbonylContact O-C 3.24Å; E50-C53 WeakPolarHBondContact O-CA 3.41Å; E50-C53 WeakPolarHBondContact O-CB 3.49Å; E50-C53 PolarHBondContact O-N 3.19Å; E50-E54 WeakPolarHBondContact O-CG 3.32Å; E50-E54 PolarHBondContact O-N 3.37Å |
| 51 | K | 88.1 | Confident | 85.4 | Confident | 119 Ų | 119 | 54.4 Ų | 54.4 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.8 | -35.1 | 172.6 | -71.8 | 176.6 | -178.5 | -177 | 0 | 112.8 | K47 S48 E54 M55 V106 | K47-K51 WeakPolarHBondContact O-CG 3.35Å; K47-K51 PolarHBondContact O-N 3.44Å; S48-K51 PolarHBondContact O-N 2.99Å; K51-E54 WeakPolarHBondContact O-CB 3.37Å; K51-E54 PolarHBondContact O-N 3.45Å; K51-M55 WeakPolarHBondContact O-CG 3.34Å; K51-M55 PolarHBondContact O-N 3.3Å; K51-V106 HydrophobicContact CB-CG1 3.87Å |
| 52 | L | 87.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73 | -30.7 | 177.4 | -172 | 138.5 | 0 | 0 | 0 | 111.8 | S48 F49 E50 E56 F59 I98 V106 A107 A110 | S48-L52 WeakPolarHBondContact O-CB 3.37Å; S48-L52 PolarHBondContact O-N 3.46Å; F49-L52 CarbonylContact O-C 3.58Å; F49-L52 WeakPolarHBondContact O-CA 3.39Å; F49-L52 WeakPolarHBondContact O-CB 3.27Å; F49-L52 PolarHBondContact O-N 3.06Å; F49-L52 VanDerWaalsContact O-N 3.13Å; E50-L52 PolarHBondContact O-N 3.36Å; L52-E56 PolarHBondContact O-N 2.71Å; L52-F59 HydrophobicContact CD2-CB 3.69Å; L52-F59 HydrophobicContact CD2-CD1 3.42Å; L52-F59 VanDerWaalsContact CD2-CD1 3.42Å; L52-F59 HydrophobicContact CD2-CD2 3.2Å; L52-F59 HydrophobicContact CD2-CE1 3.71Å; L52-F59 HydrophobicContact CD2-CE2 3.51Å; L52-F59 HydrophobicContact CD2-CG 3.14Å; L52-F59 HydrophobicContact CD2-CZ 3.75Å; L52-F59 HydrophobicContact CG-CD2 4.17Å; L52-F59 HydrophobicContact CG-CE2 4.25Å; L52-F59 HydrophobicContact CG-CG 4.47Å; L52-I98 HydrophobicContact CD1-CD1 4.32Å; L52-I98 HydrophobicContact CD1-CG1 4.43Å; L52-V106 HydrophobicContact CB-CG1 4.24Å; L52-A107 HydrophobicContact CD1-CB 3.68Å; L52-A110 HydrophobicContact CD1-CB 4.45Å |
| 53 | C | 86.7 | Confident | 85.4 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70 | -37.4 | 169 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | F49 E50 M55 E56 N57 T60 | F49-C53 VanDerWaalsContact CZ-SG 3.51Å; F49-C53 PolarHBondContact O-N 3.39Å; F49-C53 PolarHBondContact O-SG 3.31Å; E50-C53 CarbonylContact O-C 3.24Å; E50-C53 WeakPolarHBondContact O-CA 3.41Å; E50-C53 WeakPolarHBondContact O-CB 3.49Å; E50-C53 PolarHBondContact O-N 3.19Å; C53-M55 VanDerWaalsContact C-N 3.31Å; C53-E56 CarbonylContact O-C 3.26Å; C53-E56 PolarHBondContact O-N 3.05Å; C53-E56 VanDerWaalsContact O-N 3.17Å; C53-N57 PolarHBondContact O-N 3.15Å; C53-T60 HydrophobicContact CB-CG2 3.93Å |
| 54 | E | 85.3 | Confident | 85.1 | Confident | 155 Ų | 155 | 56.5 Ų | 56.5 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 172.7 | -69.3 | 171.7 | -178.2 | 0 | 0 | 111.6 | E50 K51 E56 | E50-E54 WeakPolarHBondContact O-CG 3.32Å; E50-E54 PolarHBondContact O-N 3.37Å; K51-E54 WeakPolarHBondContact O-CB 3.37Å; K51-E54 PolarHBondContact O-N 3.45Å; E54-E56 VanDerWaalsContact C-N 3.32Å |
| 55 | M | 81.1 | Confident | 84.9 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 47% | 0.473 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 173.4 | -70.2 | -178 | 72.8 | 0 | 0 | 111.9 | K51 C53 | K51-M55 WeakPolarHBondContact O-CG 3.34Å; K51-M55 PolarHBondContact O-N 3.3Å; C53-M55 VanDerWaalsContact C-N 3.31Å |
| 56 | E | 81 | Confident | 84.8 | Confident | 57 Ų | 57 | 58 Ų | 58 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | trans | -154.3 | 108.9 | -173.8 | -177.4 | 67.6 | -119.1 | 0 | 0 | 112.9 | L52 C53 E54 A58 F59 F101 R207 | L52-E56 PolarHBondContact O-N 2.71Å; C53-E56 CarbonylContact O-C 3.26Å; C53-E56 PolarHBondContact O-N 3.05Å; C53-E56 VanDerWaalsContact O-N 3.17Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E56-A58 HydrophobicContact CG-CB 4.13Å; E56-A58 PolarHBondContact O-N 3.03Å; E56-F59 HydrophobicContact CB-CD2 3.85Å; E56-F59 HydrophobicContact CB-CE2 3.99Å; E56-F59 HydrophobicContact CG-CD2 3.95Å; E56-F59 HydrophobicContact CG-CE2 3.97Å; E56-F59 PolarHBondContact O-N 3.11Å; E56-F59 VanDerWaalsContact O-N 3.17Å; E56-F101 HydrophobicContact CB-CZ 4.06Å; E56-F101 HydrophobicContact CG-CZ 4.11Å; E56-R207 IonicContact OE1-CZ 2.63Å; E56-R207 IonicContact OE1-NH2 2.82Å; E56-R207 PolarHBondContact OE1-NH2 2.98Å; E56-R207 IonicContact OE2-CZ 3.49Å; E56-R207 IonicContact OE2-NE 3.37Å; E56-R207 PolarHBondContact OE2-NE 2.93Å; E56-R207 IonicContact OE2-NH2 3.83Å; E56-R207 PolarHBondContact OE2-NH2 3.09Å | ||
| 57 | N | 82 | Confident | 84.7 | Confident | 121 Ų | 121 | 56.1 Ų | 56.1 | 65% | 0.647 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -57.7 | -23 | -176.2 | -71.3 | -11.6 | 0 | 0 | 0 | 114.2 | C53 F59 T60 | C53-N57 PolarHBondContact O-N 3.15Å; N57-F59 PolarHBondContact O-N 3.45Å; N57-F59 VanDerWaalsContact O-N 3.16Å; N57-T60 WeakPolarHBondContact O-CB 3.21Å; N57-T60 WeakPolarHBondContact O-CG2 3.38Å; N57-T60 PolarHBondContact O-N 2.87Å; N57-T60 VanDerWaalsContact O-N 3.17Å; N57-T60 PolarHBondContact O-OG1 3.03Å |
| 58 | A | 79.2 | Confident | 84.4 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -62.3 | -20.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | E56 S61 Y97 L203 R207 | E56-A58 HydrophobicContact CG-CB 4.13Å; E56-A58 PolarHBondContact O-N 3.03Å; A58-S61 PolarHBondContact O-OG 3.22Å; A58-Y97 HydrophobicContact CB-CD2 4.44Å; A58-Y97 HydrophobicContact CB-CE2 4.29Å; A58-L203 HydrophobicContact CB-CD2 3.77Å; A58-R207 VanDerWaalsContact CB-NH2 3.33Å |
| 59 | F | 84.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -80.1 | -17.3 | 178.6 | -70.1 | -81.2 | 0 | 0 | 0 | 113.6 | F49 L52 E56 N57 S61 F62 F94 I98 F101 | F49-F59 HydrophobicContact CE2-CB 4.04Å; F49-F59 WeakPolarHBondContact CZ-O 3.4Å; L52-F59 HydrophobicContact CD2-CB 3.69Å; L52-F59 HydrophobicContact CD2-CD1 3.42Å; L52-F59 VanDerWaalsContact CD2-CD1 3.42Å; L52-F59 HydrophobicContact CD2-CD2 3.2Å; L52-F59 HydrophobicContact CD2-CE1 3.71Å; L52-F59 HydrophobicContact CD2-CE2 3.51Å; L52-F59 HydrophobicContact CD2-CG 3.14Å; L52-F59 HydrophobicContact CD2-CZ 3.75Å; L52-F59 HydrophobicContact CG-CD2 4.17Å; L52-F59 HydrophobicContact CG-CE2 4.25Å; L52-F59 HydrophobicContact CG-CG 4.47Å; E56-F59 HydrophobicContact CB-CD2 3.85Å; E56-F59 HydrophobicContact CB-CE2 3.99Å; E56-F59 HydrophobicContact CG-CD2 3.95Å; E56-F59 HydrophobicContact CG-CE2 3.97Å; E56-F59 PolarHBondContact O-N 3.11Å; E56-F59 VanDerWaalsContact O-N 3.17Å; N57-F59 PolarHBondContact O-N 3.45Å; N57-F59 VanDerWaalsContact O-N 3.16Å; F59-S61 PolarHBondContact O-N 3.31Å; F59-F62 HydrophobicContact CD1-CD2 4.14Å; F59-F62 HydrophobicContact CD1-CE2 4.26Å; F59-F62 WeakPolarHBondContact O-CD2 3.43Å; F59-F62 PolarHBondContact O-N 2.65Å; F59-F94 HydrophobicContact CD1-CD2 4.19Å; F59-F94 AromaticContact CD1-CE2 3.89Å; F59-F94 HydrophobicContact CD1-CE2 3.89Å; F59-F94 HydrophobicContact CE1-CD2 4.45Å; F59-F94 HydrophobicContact CE1-CE2 4.22Å; F59-I98 HydrophobicContact CE1-CB 4.27Å; F59-F101 AromaticContact CE2-CD2 3.89Å; F59-F101 HydrophobicContact CE2-CD2 3.89Å; F59-F101 AromaticContact CE2-CE2 3.68Å; F59-F101 HydrophobicContact CE2-CE2 3.68Å; F59-F101 HydrophobicContact CE2-CZ 4.33Å; F59-F101 AromaticContact CZ-CD2 3.83Å; F59-F101 HydrophobicContact CZ-CD2 3.83Å; F59-F101 AromaticContact CZ-CE2 3.95Å; F59-F101 HydrophobicContact CZ-CE2 3.95Å |
| 60 | T | 84.2 | Confident | 83.3 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -55.8 | -28.8 | -178.4 | 57 | 0 | 0 | 0 | 0 | 113.2 | C53 N57 F62 G63 | C53-T60 HydrophobicContact CB-CG2 3.93Å; N57-T60 WeakPolarHBondContact O-CB 3.21Å; N57-T60 WeakPolarHBondContact O-CG2 3.38Å; N57-T60 PolarHBondContact O-N 2.87Å; N57-T60 VanDerWaalsContact O-N 3.17Å; N57-T60 PolarHBondContact O-OG1 3.03Å; T60-F62 PolarHBondContact O-N 2.93Å; T60-G63 PolarHBondContact O-N 3.36Å; T60-G63 VanDerWaalsContact O-N 3.14Å |
| 61 | S | 82.5 | Confident | 82.7 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 43% | 0.434 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -61.7 | -27.7 | 176.2 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | A58 F59 G63 S64 | A58-S61 PolarHBondContact O-OG 3.22Å; F59-S61 PolarHBondContact O-N 3.31Å; S61-G63 VanDerWaalsContact C-N 3.32Å; S61-S64 PolarHBondContact O-OG 3.47Å |
| 62 | F | 85.4 | Confident | 82.1 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -83.5 | -9.7 | -179.8 | -57 | -74.3 | 0 | 0 | 0 | 113.2 | F49 F59 T60 S64 T65 L66 F67 K93 F94 Y97 | F49-F62 HydrophobicContact CE2-CB 4.12Å; F49-F62 HydrophobicContact CZ-CB 4.1Å; F59-F62 HydrophobicContact CD1-CD2 4.14Å; F59-F62 HydrophobicContact CD1-CE2 4.26Å; F59-F62 WeakPolarHBondContact O-CD2 3.43Å; F59-F62 PolarHBondContact O-N 2.65Å; T60-F62 PolarHBondContact O-N 2.93Å; F62-S64 VanDerWaalsContact C-N 3.33Å; F62-S64 PolarHBondContact O-N 2.9Å; F62-T65 WeakPolarHBondContact CA-OG1 3.45Å; F62-T65 PolarHBondContact O-N 3.45Å; F62-T65 PolarHBondContact O-OG1 3.27Å; F62-L66 HydrophobicContact CD1-CD1 3.91Å; F62-L66 HydrophobicContact CD1-CG 4.48Å; F62-L66 HydrophobicContact CG-CD1 4.48Å; F62-L66 PolarHBondContact O-N 2.87Å; F62-F67 HydrophobicContact CB-CD2 4.39Å; F62-F67 PolarHBondContact O-N 3.4Å; F62-F67 VanDerWaalsContact O-N 3.08Å; F62-K93 HydrophobicContact CE1-CB 4.21Å; F62-K93 HydrophobicContact CZ-CB 4.05Å; F62-F94 HydrophobicContact CB-CD2 4.12Å; F62-F94 HydrophobicContact CD1-CB 4.14Å; F62-F94 HydrophobicContact CD1-CD2 4.1Å; F62-F94 AromaticContact CD2-CD2 3.64Å; F62-F94 HydrophobicContact CD2-CD2 3.64Å; F62-F94 HydrophobicContact CD2-CE2 4.32Å; F62-F94 HydrophobicContact CE1-CB 3.88Å; F62-F94 HydrophobicContact CE1-CD2 4.44Å; F62-F94 HydrophobicContact CE2-CB 4.5Å; F62-F94 HydrophobicContact CE2-CD2 4.02Å; F62-F94 AromaticContact CG-CD2 3.69Å; F62-F94 HydrophobicContact CG-CD2 3.69Å; F62-F94 HydrophobicContact CG-CE2 4.46Å; F62-F94 HydrophobicContact CZ-CB 4.07Å; F62-F94 HydrophobicContact CZ-CD2 4.4Å; F62-Y97 AromaticContact CE2-CD2 3.78Å; F62-Y97 HydrophobicContact CE2-CD2 3.78Å; F62-Y97 HydrophobicContact CE2-CE2 4.12Å; F62-Y97 HydrophobicContact CZ-CD2 4.19Å; F62-Y97 HydrophobicContact CZ-CE2 4.32Å |
| 63 | G | 82.5 | Confident | 81.3 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 27% | 0.268 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -36.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T60 S61 F67 S68 | T60-G63 PolarHBondContact O-N 3.36Å; T60-G63 VanDerWaalsContact O-N 3.14Å; S61-G63 VanDerWaalsContact C-N 3.32Å; G63-F67 CarbonylContact O-C 3.5Å; G63-F67 VanDerWaalsContact O-C 3.24Å; G63-S68 WeakPolarHBondContact O-CA 3.43Å; G63-S68 PolarHBondContact O-N 3.14Å |
| 64 | S | 79.2 | Confident | 80.5 | Confident | 96 Ų | 96 | 60.5 Ų | 60.5 | 67% | 0.671 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -11.2 | 177.8 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | S61 F62 | S61-S64 PolarHBondContact O-OG 3.47Å; F62-S64 VanDerWaalsContact C-N 3.33Å; F62-S64 PolarHBondContact O-N 2.9Å |
| 65 | T | 83.3 | Confident | 79.7 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -76.2 | -174.9 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | F62 S68 | F62-T65 WeakPolarHBondContact CA-OG1 3.45Å; F62-T65 PolarHBondContact O-N 3.45Å; F62-T65 PolarHBondContact O-OG1 3.27Å; T65-S68 PolarHBondContact O-OG 2.89Å |
| 66 | L | 85.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -34 | -174.1 | -63.1 | 176.5 | 0 | 0 | 0 | 112.7 | F62 S71 L87 I91 F94 W113 L114 F118 | F62-L66 HydrophobicContact CD1-CD1 3.91Å; F62-L66 HydrophobicContact CD1-CG 4.48Å; F62-L66 HydrophobicContact CG-CD1 4.48Å; F62-L66 PolarHBondContact O-N 2.87Å; L66-S71 WeakPolarHBondContact O-CB 3.38Å; L66-S71 PolarHBondContact O-OG 3.44Å; L66-L87 HydrophobicContact CD2-CD1 3.74Å; L66-I91 HydrophobicContact CD2-CG1 3.77Å; L66-F94 HydrophobicContact CD1-CB 3.7Å; L66-F94 HydrophobicContact CD1-CD2 4.16Å; L66-F94 HydrophobicContact CD1-CG 3.88Å; L66-W113 PolarHBondContact O-NE1 3.45Å; L66-W113 VanDerWaalsContact O-NE1 3.07Å; L66-L114 HydrophobicContact CD1-CD2 4.42Å; L66-F118 HydrophobicContact CD2-CE1 4.49Å; L66-F118 HydrophobicContact CD2-CE2 4.4Å; L66-F118 HydrophobicContact CD2-CZ 4.11Å |
| 67 | F | 86.6 | Confident | 78.5 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 25.5 | -179.6 | -63.8 | -89.5 | 0 | 0 | 0 | 112.3 | Y42 L46 F49 F62 G63 F94 A110 W113 L114 | Y42-F67 PolarHBondContact OH-O 3.07Å; L46-F67 HydrophobicContact CD1-CB 4.23Å; F49-F67 HydrophobicContact CB-CD1 3.94Å; F49-F67 HydrophobicContact CB-CE1 3.92Å; F49-F67 HydrophobicContact CB-CG 4.29Å; F49-F67 HydrophobicContact CB-CZ 4.26Å; F49-F67 HydrophobicContact CD1-CB 3.99Å; F49-F67 HydrophobicContact CD1-CD1 4.34Å; F49-F67 HydrophobicContact CD1-CD2 4.13Å; F49-F67 AromaticContact CD1-CG 3.9Å; F49-F67 HydrophobicContact CD1-CG 3.9Å; F49-F67 HydrophobicContact CD2-CD1 4.33Å; F49-F67 AromaticContact CD2-CD2 3.5Å; F49-F67 HydrophobicContact CD2-CD2 3.5Å; F49-F67 HydrophobicContact CD2-CE1 4.25Å; F49-F67 AromaticContact CD2-CE2 3.43Å; F49-F67 HydrophobicContact CD2-CE2 3.43Å; F49-F67 VanDerWaalsContact CD2-CE2 3.43Å; F49-F67 AromaticContact CD2-CG 3.98Å; F49-F67 HydrophobicContact CD2-CG 3.98Å; F49-F67 AromaticContact CD2-CZ 3.82Å; F49-F67 HydrophobicContact CD2-CZ 3.82Å; F49-F67 HydrophobicContact CE1-CB 4.06Å; F49-F67 HydrophobicContact CE1-CD2 4.15Å; F49-F67 HydrophobicContact CE1-CG 4.19Å; F49-F67 AromaticContact CE2-CD2 3.52Å; F49-F67 HydrophobicContact CE2-CD2 3.52Å; F49-F67 AromaticContact CE2-CE2 3.68Å; F49-F67 HydrophobicContact CE2-CE2 3.68Å; F49-F67 HydrophobicContact CE2-CG 4.26Å; F49-F67 HydrophobicContact CG-CB 4.37Å; F49-F67 AromaticContact CG-CD1 3.94Å; F49-F67 HydrophobicContact CG-CD1 3.94Å; F49-F67 AromaticContact CG-CD2 3.81Å; F49-F67 HydrophobicContact CG-CD2 3.81Å; F49-F67 HydrophobicContact CG-CE1 4.14Å; F49-F67 HydrophobicContact CG-CE2 4.03Å; F49-F67 AromaticContact CG-CG 3.77Å; F49-F67 HydrophobicContact CG-CG 3.77Å; F49-F67 HydrophobicContact CG-CZ 4.19Å; F49-F67 HydrophobicContact CZ-CB 4.5Å; F49-F67 AromaticContact CZ-CD2 3.84Å; F49-F67 HydrophobicContact CZ-CD2 3.84Å; F49-F67 HydrophobicContact CZ-CE2 4.45Å; F49-F67 HydrophobicContact CZ-CG 4.35Å; F62-F67 HydrophobicContact CB-CD2 4.39Å; F62-F67 PolarHBondContact O-N 3.4Å; F62-F67 VanDerWaalsContact O-N 3.08Å; G63-F67 CarbonylContact O-C 3.5Å; G63-F67 VanDerWaalsContact O-C 3.24Å; F67-F94 HydrophobicContact CE2-CD2 4.37Å; F67-F94 AromaticContact CE2-CE2 3.59Å; F67-F94 HydrophobicContact CE2-CE2 3.59Å; F67-F94 AromaticContact CE2-CZ 3.67Å; F67-F94 HydrophobicContact CE2-CZ 3.67Å; F67-F94 HydrophobicContact CZ-CE2 4.23Å; F67-F94 AromaticContact CZ-CZ 3.83Å; F67-F94 HydrophobicContact CZ-CZ 3.83Å; F67-A110 HydrophobicContact CZ-CB 4.36Å; F67-A110 WeakPolarHBondContact CZ-O 3.25Å; F67-W113 AromaticContact CD1-CD1 3.84Å; F67-W113 HydrophobicContact CD1-CG 4.41Å; F67-W113 HydrophobicContact CE1-CB 3.91Å; F67-W113 AromaticContact CE1-CD1 3.77Å; F67-W113 HydrophobicContact CE1-CG 4.12Å; F67-L114 HydrophobicContact CE2-CD1 4.26Å; F67-L114 HydrophobicContact CZ-CD1 3.8Å |
| 68 | S | 81.4 | Confident | 77.9 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -77.2 | 154.4 | 172.2 | 69.5 | 0 | 0 | 0 | 0 | 110.6 | Y42 G63 T65 T70 S71 | Y42-S68 VanDerWaalsContact OH-C 3.28Å; Y42-S68 PolarHBondContact OH-O 3.39Å; G63-S68 WeakPolarHBondContact O-CA 3.43Å; G63-S68 PolarHBondContact O-N 3.14Å; T65-S68 PolarHBondContact O-OG 2.89Å; S68-T70 PolarHBondContact O-N 3.14Å; S68-T70 PolarHBondContact OG-OG1 3.12Å; S68-S71 VanDerWaalsContact O-CB 3.3Å; S68-S71 WeakPolarHBondContact O-CB 3.4Å; S68-S71 PolarHBondContact O-N 3.11Å; S68-S71 PolarHBondContact O-OG 3.17Å; S68-S71 PolarHBondContact OG-N 2.94Å |
| 69 | V | 78 | Confident | 77.5 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 67% | 0.673 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -61.9 | -27.2 | 173.6 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | Y42 S71 C72 | Y42-V69 PolarHBondContact OH-N 3.34Å; V69-S71 PolarHBondContact O-N 3.3Å; V69-C72 WeakPolarHBondContact O-CB 3.09Å; V69-C72 PolarHBondContact O-N 2.87Å |
| 70 | T | 76.1 | Confident | 76.9 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -65.2 | -26.7 | 176 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | S68 C72 Q73 | S68-T70 PolarHBondContact O-N 3.14Å; S68-T70 PolarHBondContact OG-OG1 3.12Å; T70-C72 PolarHBondContact O-N 3.45Å; T70-Q73 PolarHBondContact O-N 2.89Å; T70-Q73 VanDerWaalsContact O-N 3.13Å |
| 71 | S | 76.9 | Confident | 76.4 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.014 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -61.7 | -28 | 177.5 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | L66 S68 V69 Q73 L74 W113 K117 | L66-S71 WeakPolarHBondContact O-CB 3.38Å; L66-S71 PolarHBondContact O-OG 3.44Å; S68-S71 VanDerWaalsContact O-CB 3.3Å; S68-S71 WeakPolarHBondContact O-CB 3.4Å; S68-S71 PolarHBondContact O-N 3.11Å; S68-S71 PolarHBondContact O-OG 3.17Å; S68-S71 PolarHBondContact OG-N 2.94Å; V69-S71 PolarHBondContact O-N 3.3Å; S71-Q73 PolarHBondContact O-N 2.98Å; S71-L74 WeakPolarHBondContact O-CB 3.16Å; S71-L74 PolarHBondContact O-N 3.43Å; S71-W113 WeakPolarHBondContact OG-CZ2 3.4Å; S71-K117 WeakPolarHBondContact O-CE 3.49Å |
| 72 | C | 75.2 | Confident | 75.9 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -60.6 | -33.6 | 176.1 | -67.7 | 0 | 0 | 0 | 0 | 112.8 | V69 T70 K117 | V69-C72 WeakPolarHBondContact O-CB 3.09Å; V69-C72 PolarHBondContact O-N 2.87Å; T70-C72 PolarHBondContact O-N 3.45Å; C72-K117 WeakPolarHBondContact O-CE 3.2Å; C72-K117 PolarHBondContact O-NZ 3.13Å |
| 73 | Q | 70.4 | Confident | 75.4 | Confident | 169 Ų | 169 | 78 Ų | 78 | 79% | 0.79 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -90.3 | -9.4 | -178.2 | -63.4 | 178.4 | -5.9 | 0 | 0 | 113.3 | T70 S71 | T70-Q73 PolarHBondContact O-N 2.89Å; T70-Q73 VanDerWaalsContact O-N 3.13Å; S71-Q73 PolarHBondContact O-N 2.98Å |
| 74 | L | 70.7 | Confident | 75.3 | Confident | 53 Ų | 53 | 81 Ų | 81 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | trans | -77.9 | 130.8 | -174 | -168.7 | 154.4 | 0 | 0 | 0 | 110.8 | S71 M76 L79 K117 F118 | S71-L74 WeakPolarHBondContact O-CB 3.16Å; S71-L74 PolarHBondContact O-N 3.43Å; L74-M76 HydrophobicContact CD2-SD 4.4Å; L74-L79 HydrophobicContact CD1-CD2 4.24Å; L74-L79 HydrophobicContact CD2-CD1 4.04Å; L74-L79 HydrophobicContact CD2-CD2 3.96Å; L74-L79 HydrophobicContact CD2-CG 4.22Å; L74-L79 HydrophobicContact CG-CD2 4.11Å; L74-K117 WeakPolarHBondContact O-CE 3.34Å; L74-K117 PolarHBondContact O-NZ 3.41Å; L74-F118 HydrophobicContact CD2-CE1 4.33Å | ||
| 75 | E | 68.4 | Low | 75.2 | Confident | 86 Ų | 86 | 80.7 Ų | 80.7 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | trans | -117.7 | 125.7 | 178.4 | -68.7 | -176.6 | 165 | 0 | 0 | 110.6 | C77 N78 | E75-C77 PolarHBondContact O-N 3Å; E75-N78 PolarHBondContact O-N 2.91Å; E75-N78 VanDerWaalsContact O-N 3.09Å; E75-N78 PolarHBondContact OE2-ND2 3.34Å | ||
| 76 | M | 70.4 | Confident | 75.1 | Confident | 37 Ų | 37 | 85.2 Ų | 85.2 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.6 | -171.3 | -70.4 | -63.9 | -71.3 | 0 | 0 | 113.7 | L74 N78 L79 L87 F118 Y124 | L74-M76 HydrophobicContact CD2-SD 4.4Å; M76-N78 VanDerWaalsContact C-N 3.35Å; M76-L79 HydrophobicContact CE-CD1 4.46Å; M76-L79 HydrophobicContact SD-CD1 3.85Å; M76-L87 HydrophobicContact CE-CD2 4.49Å; M76-L87 HydrophobicContact SD-CD2 4.07Å; M76-F118 HydrophobicContact SD-CD1 3.98Å; M76-Y124 HydrophobicContact CE-CE2 3.92Å |
| 77 | C | 65.3 | Low | 75 | Confident | 76 Ų | 76 | 86.2 Ų | 86.2 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -75.7 | -18.1 | 179.3 | 45.8 | 0 | 0 | 0 | 0 | 114 | E75 | E75-C77 PolarHBondContact O-N 3Š|
| 78 | N | 69.9 | Low | 74.8 | Confident | 97 Ų | 97 | 88.1 Ų | 88.1 | 52% | 0.519 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -104.2 | 3.1 | -175 | -69.1 | -29.5 | 0 | 0 | 0 | 114.1 | E75 M76 | E75-N78 PolarHBondContact O-N 2.91Å; E75-N78 VanDerWaalsContact O-N 3.09Å; E75-N78 PolarHBondContact OE2-ND2 3.34Å; M76-N78 VanDerWaalsContact C-N 3.35Å |
| 79 | L | 70.5 | Confident | 74.9 | Confident | 37 Ų | 37 | 89.7 Ų | 89.7 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | trans | -73.4 | 132.7 | -176.3 | -72.4 | 167.3 | 0 | 0 | 0 | 113 | L74 M76 E83 L87 | L74-L79 HydrophobicContact CD1-CD2 4.24Å; L74-L79 HydrophobicContact CD2-CD1 4.04Å; L74-L79 HydrophobicContact CD2-CD2 3.96Å; L74-L79 HydrophobicContact CD2-CG 4.22Å; L74-L79 HydrophobicContact CG-CD2 4.11Å; M76-L79 HydrophobicContact CE-CD1 4.46Å; M76-L79 HydrophobicContact SD-CD1 3.85Å; L79-E83 HydrophobicContact CD2-CB 4.33Å; L79-L87 HydrophobicContact CD1-CD2 3.7Å | ||
| 80 | F | 72.5 | Confident | 75.3 | Confident | 152 Ų | 152 | 86.4 Ų | 86.4 | 67% | 0.667 | 43% | 0.426 | S | S | * | . | trans | -70.2 | 150.1 | 170.7 | -67.6 | -74.2 | 0 | 0 | 0 | 111.1 | Q82 E83 K84 | F80-Q82 PolarHBondContact O-N 3.49Å; F80-Q82 VanDerWaalsContact O-N 3.09Å; F80-E83 HydrophobicContact CB-CG 4.35Å; F80-E83 PolarHBondContact N-OE2 3.37Å; F80-E83 WeakPolarHBondContact O-CB 3.25Å; F80-E83 PolarHBondContact O-N 2.86Å; F80-K84 PolarHBondContact O-N 3.1Å | ||
| 81 | R | 73.5 | Confident | 75.8 | Confident | 221 Ų | 221 | 81.7 Ų | 81.7 | 83% | 0.834 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -53.4 | -36.6 | -176.9 | -170.9 | 176.6 | -176.1 | 166.6 | 1.8 | 113.7 | V85 | R81-V85 WeakPolarHBondContact O-CG2 3.11Å; R81-V85 PolarHBondContact O-N 3.19Å |
| 82 | Q | 71.9 | Confident | 76.2 | Confident | 163 Ų | 163 | 83 Ų | 83 | 76% | 0.762 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.8 | -38.3 | 178.6 | -65.7 | -177.5 | 1.7 | 0 | 0 | 112.5 | F80 K86 | F80-Q82 PolarHBondContact O-N 3.49Å; F80-Q82 VanDerWaalsContact O-N 3.09Å; Q82-K86 PolarHBondContact O-N 3.28Å |
| 83 | E | 75.1 | Confident | 76.7 | Confident | 98 Ų | 98 | 85.1 Ų | 85.1 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.3 | -41.4 | 177.4 | -63.5 | 172.2 | 162.7 | 0 | 0 | 110.5 | L79 F80 V85 K86 L87 | L79-E83 HydrophobicContact CD2-CB 4.33Å; F80-E83 HydrophobicContact CB-CG 4.35Å; F80-E83 PolarHBondContact N-OE2 3.37Å; F80-E83 WeakPolarHBondContact O-CB 3.25Å; F80-E83 PolarHBondContact O-N 2.86Å; E83-V85 PolarHBondContact O-N 3.47Å; E83-K86 PolarHBondContact O-N 3.27Å; E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 3.34Å |
| 84 | K | 79.7 | Confident | 77.6 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.4 | -48.8 | 174.2 | -178 | 166.8 | -179.6 | 159 | 0 | 111.8 | F80 K86 L87 D88 | F80-K84 PolarHBondContact O-N 3.1Å; K84-K86 VanDerWaalsContact C-N 3.3Å; K84-K86 PolarHBondContact O-N 3.45Å; K84-L87 CarbonylContact O-C 3.53Å; K84-L87 WeakPolarHBondContact O-CB 3.39Å; K84-L87 PolarHBondContact O-N 3.04Å; K84-L87 VanDerWaalsContact O-N 3.1Å; K84-D88 WeakPolarHBondContact CG-OD1 3.44Å; K84-D88 WeakPolarHBondContact O-CB 3.47Å; K84-D88 PolarHBondContact O-N 3.42Å; K84-D88 VanDerWaalsContact O-OD1 3.08Å |
| 85 | V | 78 | Confident | 78.5 | Confident | 89 Ų | 89 | 74.7 Ų | 74.7 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 178.5 | 172 | 0 | 0 | 0 | 0 | 112.4 | R81 E83 S89 | R81-V85 WeakPolarHBondContact O-CG2 3.11Å; R81-V85 PolarHBondContact O-N 3.19Å; E83-V85 PolarHBondContact O-N 3.47Å; V85-S89 PolarHBondContact O-N 2.94Å; V85-S89 VanDerWaalsContact O-N 3.14Å |
| 86 | K | 80.2 | Confident | 79.3 | Confident | 152 Ų | 152 | 71 Ų | 71 | 66% | 0.661 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65 | -45.4 | 174.8 | -70.5 | 178.9 | -179.1 | 178.6 | 0 | 110.8 | Q82 E83 K84 S89 E90 | Q82-K86 PolarHBondContact O-N 3.28Å; E83-K86 PolarHBondContact O-N 3.27Å; K84-K86 VanDerWaalsContact C-N 3.3Å; K84-K86 PolarHBondContact O-N 3.45Å; K86-S89 PolarHBondContact O-N 3.13Å; K86-S89 PolarHBondContact O-OG 2.85Å; K86-E90 WeakPolarHBondContact O-CG 3.42Å; K86-E90 PolarHBondContact O-N 3.02Å; K86-E90 VanDerWaalsContact O-N 3.11Å |
| 87 | L | 83 | Confident | 80 | Confident | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.12 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 177.7 | -176.1 | 64.5 | 0 | 0 | 0 | 112 | L66 M76 L79 E83 K84 S89 E90 I91 F118 | L66-L87 HydrophobicContact CD2-CD1 3.74Å; M76-L87 HydrophobicContact CE-CD2 4.49Å; M76-L87 HydrophobicContact SD-CD2 4.07Å; L79-L87 HydrophobicContact CD1-CD2 3.7Å; E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 3.34Å; K84-L87 CarbonylContact O-C 3.53Å; K84-L87 WeakPolarHBondContact O-CB 3.39Å; K84-L87 PolarHBondContact O-N 3.04Å; K84-L87 VanDerWaalsContact O-N 3.1Å; L87-S89 PolarHBondContact O-N 3.42Å; L87-E90 PolarHBondContact O-N 2.69Å; L87-E90 VanDerWaalsContact O-N 3.11Å; L87-I91 HydrophobicContact CD1-CD1 3.98Å; L87-I91 HydrophobicContact CD1-CG1 4.21Å; L87-I91 HydrophobicContact CD2-CD1 4.34Å; L87-I91 HydrophobicContact CG-CD1 3.77Å; L87-I91 HydrophobicContact CG-CG1 4.34Å; L87-I91 WeakPolarHBondContact O-CG1 3.4Å; L87-I91 PolarHBondContact O-N 3.28Å; L87-F118 HydrophobicContact CD1-CD1 4.24Å; L87-F118 HydrophobicContact CD1-CE1 3.73Å; L87-F118 HydrophobicContact CD1-CZ 4.46Å; L87-F118 HydrophobicContact CD2-CD1 4.08Å; L87-F118 HydrophobicContact CD2-CE1 4.06Å; L87-F118 HydrophobicContact CG-CE1 4.47Å |
| 88 | D | 82.8 | Confident | 81.1 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.6 | -44.1 | 176.2 | -62.3 | -14.7 | 0 | 0 | 0 | 110.2 | K84 S92 Y124 | K84-D88 WeakPolarHBondContact CG-OD1 3.44Å; K84-D88 WeakPolarHBondContact O-CB 3.47Å; K84-D88 PolarHBondContact O-N 3.42Å; K84-D88 VanDerWaalsContact O-OD1 3.08Å; D88-S92 VanDerWaalsContact O-CB 3.31Å; D88-S92 WeakPolarHBondContact O-CB 3.12Å; D88-S92 PolarHBondContact O-N 3.45Å; D88-S92 PolarHBondContact O-OG 3.06Å; D88-Y124 HydrophobicContact CB-CE1 4.12Å; D88-Y124 WeakPolarHBondContact OD1-CE1 3.42Å; D88-Y124 PolarHBondContact OD1-OH 3.14Å |
| 89 | S | 83.7 | Confident | 81.9 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 179 | 78.8 | 0 | 0 | 0 | 0 | 113 | V85 K86 L87 K93 | V85-S89 PolarHBondContact O-N 2.94Å; V85-S89 VanDerWaalsContact O-N 3.14Å; K86-S89 PolarHBondContact O-N 3.13Å; K86-S89 PolarHBondContact O-OG 2.85Å; L87-S89 PolarHBondContact O-N 3.42Å; S89-K93 VanDerWaalsContact O-CG 3.24Å; S89-K93 WeakPolarHBondContact O-CG 3.31Å; S89-K93 PolarHBondContact O-N 2.84Å |
| 90 | E | 86.3 | Confident | 82.6 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.5 | -40.4 | 179.5 | -70.4 | -58.6 | 118.7 | 0 | 0 | 111.8 | K86 L87 K93 F94 | K86-E90 WeakPolarHBondContact O-CG 3.42Å; K86-E90 PolarHBondContact O-N 3.02Å; K86-E90 VanDerWaalsContact O-N 3.11Å; L87-E90 PolarHBondContact O-N 2.69Å; L87-E90 VanDerWaalsContact O-N 3.11Å; E90-K93 PolarHBondContact O-N 3.23Å; E90-K93 IonicContact OE1-NZ 3.62Å; E90-K93 PolarHBondContact OE1-NZ 3.16Å; E90-F94 WeakPolarHBondContact O-CB 3.28Å; E90-F94 PolarHBondContact O-N 3.41Å |
| 91 | I | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.1 | -69.2 | 174.6 | 0 | 0 | 0 | 110.5 | L66 L87 K93 F94 L95 L114 F118 I120 Y124 | L66-I91 HydrophobicContact CD2-CG1 3.77Å; L87-I91 HydrophobicContact CD1-CD1 3.98Å; L87-I91 HydrophobicContact CD1-CG1 4.21Å; L87-I91 HydrophobicContact CD2-CD1 4.34Å; L87-I91 HydrophobicContact CG-CD1 3.77Å; L87-I91 HydrophobicContact CG-CG1 4.34Å; L87-I91 WeakPolarHBondContact O-CG1 3.4Å; L87-I91 PolarHBondContact O-N 3.28Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.37Å; I91-F94 PolarHBondContact O-N 3.35Å; I91-L95 HydrophobicContact CG2-CD1 3.92Å; I91-L95 HydrophobicContact CG2-CG 4.28Å; I91-L95 WeakPolarHBondContact O-CB 3.47Å; I91-L95 WeakPolarHBondContact O-CG 3.28Å; I91-L95 PolarHBondContact O-N 3.39Å; I91-L114 HydrophobicContact CG2-CD2 4.44Å; I91-F118 HydrophobicContact CD1-CB 4.29Å; I91-F118 HydrophobicContact CD1-CD1 4.12Å; I91-F118 HydrophobicContact CD1-CG 4.31Å; I91-I120 HydrophobicContact CG2-CG2 4.06Å; I91-Y124 HydrophobicContact CD1-CD2 4.22Å; I91-Y124 HydrophobicContact CD1-CE1 4.31Å; I91-Y124 HydrophobicContact CD1-CE2 3.54Å; I91-Y124 HydrophobicContact CG2-CD1 4.3Å; I91-Y124 HydrophobicContact CG2-CD2 4.3Å; I91-Y124 HydrophobicContact CG2-CG 4.14Å |
| 92 | S | 85 | Confident | 83.8 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | D88 C96 | D88-S92 VanDerWaalsContact O-CB 3.31Å; D88-S92 WeakPolarHBondContact O-CB 3.12Å; D88-S92 PolarHBondContact O-N 3.45Å; D88-S92 PolarHBondContact O-OG 3.06Å; S92-C96 PolarHBondContact O-N 3.42Å; S92-C96 VanDerWaalsContact O-N 3.08Å; S92-C96 PolarHBondContact O-SG 3.46Å |
| 93 | K | 85.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 35% | 0.348 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 174.5 | -72.7 | 172.2 | -165.3 | 165.7 | 0 | 111.7 | F62 S89 E90 I91 L95 C96 Y97 | F62-K93 HydrophobicContact CE1-CB 4.21Å; F62-K93 HydrophobicContact CZ-CB 4.05Å; S89-K93 VanDerWaalsContact O-CG 3.24Å; S89-K93 WeakPolarHBondContact O-CG 3.31Å; S89-K93 PolarHBondContact O-N 2.84Å; E90-K93 PolarHBondContact O-N 3.23Å; E90-K93 IonicContact OE1-NZ 3.62Å; E90-K93 PolarHBondContact OE1-NZ 3.16Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.37Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.89Å; K93-C96 WeakPolarHBondContact O-CB 3.25Å; K93-C96 PolarHBondContact O-N 2.95Å; K93-Y97 VanDerWaalsContact O-CD1 3.27Å; K93-Y97 WeakPolarHBondContact O-CD1 3.46Å; K93-Y97 PolarHBondContact O-N 2.94Å |
| 94 | F | 88.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 178.9 | -176.5 | -93.5 | 0 | 0 | 0 | 111.6 | F49 F59 F62 L66 F67 E90 I91 C96 Y97 I98 L111 L114 | F49-F94 HydrophobicContact CD2-CE2 4.41Å; F49-F94 HydrophobicContact CE2-CE2 4.21Å; F59-F94 HydrophobicContact CD1-CD2 4.19Å; F59-F94 AromaticContact CD1-CE2 3.89Å; F59-F94 HydrophobicContact CD1-CE2 3.89Å; F59-F94 HydrophobicContact CE1-CD2 4.45Å; F59-F94 HydrophobicContact CE1-CE2 4.22Å; F62-F94 HydrophobicContact CB-CD2 4.12Å; F62-F94 HydrophobicContact CD1-CB 4.14Å; F62-F94 HydrophobicContact CD1-CD2 4.1Å; F62-F94 AromaticContact CD2-CD2 3.64Å; F62-F94 HydrophobicContact CD2-CD2 3.64Å; F62-F94 HydrophobicContact CD2-CE2 4.32Å; F62-F94 HydrophobicContact CE1-CB 3.88Å; F62-F94 HydrophobicContact CE1-CD2 4.44Å; F62-F94 HydrophobicContact CE2-CB 4.5Å; F62-F94 HydrophobicContact CE2-CD2 4.02Å; F62-F94 AromaticContact CG-CD2 3.69Å; F62-F94 HydrophobicContact CG-CD2 3.69Å; F62-F94 HydrophobicContact CG-CE2 4.46Å; F62-F94 HydrophobicContact CZ-CB 4.07Å; F62-F94 HydrophobicContact CZ-CD2 4.4Å; L66-F94 HydrophobicContact CD1-CB 3.7Å; L66-F94 HydrophobicContact CD1-CD2 4.16Å; L66-F94 HydrophobicContact CD1-CG 3.88Å; F67-F94 HydrophobicContact CE2-CD2 4.37Å; F67-F94 AromaticContact CE2-CE2 3.59Å; F67-F94 HydrophobicContact CE2-CE2 3.59Å; F67-F94 AromaticContact CE2-CZ 3.67Å; F67-F94 HydrophobicContact CE2-CZ 3.67Å; F67-F94 HydrophobicContact CZ-CE2 4.23Å; F67-F94 AromaticContact CZ-CZ 3.83Å; F67-F94 HydrophobicContact CZ-CZ 3.83Å; E90-F94 WeakPolarHBondContact O-CB 3.28Å; E90-F94 PolarHBondContact O-N 3.41Å; I91-F94 PolarHBondContact O-N 3.35Å; F94-C96 VanDerWaalsContact C-N 3.34Å; F94-C96 PolarHBondContact O-N 2.9Å; F94-Y97 PolarHBondContact O-N 3.32Å; F94-Y97 VanDerWaalsContact O-N 3.15Å; F94-I98 HydrophobicContact CD1-CG2 4.48Å; F94-I98 HydrophobicContact CE1-CB 4.3Å; F94-I98 HydrophobicContact CE1-CD1 3.57Å; F94-I98 HydrophobicContact CE1-CG2 4.37Å; F94-I98 HydrophobicContact CZ-CD1 3.61Å; F94-I98 WeakPolarHBondContact O-CB 3.35Å; F94-I98 WeakPolarHBondContact O-CG2 3.47Å; F94-I98 PolarHBondContact O-N 3.01Å; F94-L111 HydrophobicContact CE1-CD1 4.33Å; F94-L114 HydrophobicContact CD1-CD1 4Å; F94-L114 HydrophobicContact CD1-CD2 3.49Å; F94-L114 VanDerWaalsContact CD1-CD2 3.49Å; F94-L114 HydrophobicContact CD1-CG 4.42Å; F94-L114 HydrophobicContact CE1-CD1 3.54Å; F94-L114 HydrophobicContact CE1-CD2 3.89Å; F94-L114 HydrophobicContact CE1-CG 4.39Å; F94-L114 HydrophobicContact CG-CD2 4.33Å; F94-L114 HydrophobicContact CZ-CD1 4.12Å |
| 95 | L | 88.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.7 | -71.7 | 177.6 | 0 | 0 | 0 | 112.3 | I91 K93 Y97 S99 L111 I120 D127 C131 | I91-L95 HydrophobicContact CG2-CD1 3.92Å; I91-L95 HydrophobicContact CG2-CG 4.28Å; I91-L95 WeakPolarHBondContact O-CB 3.47Å; I91-L95 WeakPolarHBondContact O-CG 3.28Å; I91-L95 PolarHBondContact O-N 3.39Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.89Å; L95-Y97 VanDerWaalsContact C-N 3.34Å; L95-Y97 PolarHBondContact O-N 3.26Å; L95-S99 PolarHBondContact O-N 3.28Å; L95-L111 HydrophobicContact CD2-CD1 3.62Å; L95-I120 HydrophobicContact CD2-CD1 4.06Å; L95-D127 HydrophobicContact CD1-CB 3.78Å; L95-C131 HydrophobicContact CB-CB 4.23Å; L95-C131 HydrophobicContact CD2-CB 4.41Å; L95-C131 PolarHBondContact O-SG 3.22Å |
| 96 | C | 85.2 | Confident | 85.6 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 173.5 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | S92 K93 F94 Y196 C199 | S92-C96 PolarHBondContact O-N 3.42Å; S92-C96 VanDerWaalsContact O-N 3.08Å; S92-C96 PolarHBondContact O-SG 3.46Å; K93-C96 WeakPolarHBondContact O-CB 3.25Å; K93-C96 PolarHBondContact O-N 2.95Å; F94-C96 VanDerWaalsContact C-N 3.34Å; F94-C96 PolarHBondContact O-N 2.9Å; C96-Y196 HydrophobicContact CB-CE1 4.44Å; C96-Y196 WeakPolarHBondContact O-CE1 3.37Å; C96-C199 HydrophobicContact CB-CB 3.78Å; C96-C199 VanDerWaalsContact SG-SG 3.65Å |
| 97 | Y | 85.4 | Confident | 85.9 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.7 | -42.6 | -175.9 | -75.8 | 21.6 | 0 | 0 | 0 | 112 | A58 F62 K93 F94 L95 S99 S100 F101 C199 L203 | A58-Y97 HydrophobicContact CB-CD2 4.44Å; A58-Y97 HydrophobicContact CB-CE2 4.29Å; F62-Y97 AromaticContact CE2-CD2 3.78Å; F62-Y97 HydrophobicContact CE2-CD2 3.78Å; F62-Y97 HydrophobicContact CE2-CE2 4.12Å; F62-Y97 HydrophobicContact CZ-CD2 4.19Å; F62-Y97 HydrophobicContact CZ-CE2 4.32Å; K93-Y97 VanDerWaalsContact O-CD1 3.27Å; K93-Y97 WeakPolarHBondContact O-CD1 3.46Å; K93-Y97 PolarHBondContact O-N 2.94Å; F94-Y97 PolarHBondContact O-N 3.32Å; F94-Y97 VanDerWaalsContact O-N 3.15Å; L95-Y97 VanDerWaalsContact C-N 3.34Å; L95-Y97 PolarHBondContact O-N 3.26Å; Y97-S99 PolarHBondContact O-N 3.41Å; Y97-S100 PolarHBondContact O-OG 3.39Å; Y97-F101 WeakPolarHBondContact O-CD2 3.12Å; Y97-C199 WeakPolarHBondContact CE1-O 3.41Å; Y97-L203 HydrophobicContact CD1-CD1 3.86Å; Y97-L203 HydrophobicContact CD2-CD1 4.19Å; Y97-L203 HydrophobicContact CE1-CD1 3.44Å; Y97-L203 VanDerWaalsContact CE1-CD1 3.44Å; Y97-L203 HydrophobicContact CE2-CD1 3.82Å; Y97-L203 HydrophobicContact CG-CD1 4.22Å; Y97-L203 VanDerWaalsContact CZ-CD1 3.42Å |
| 98 | I | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.8 | -22.1 | -176.3 | -158.6 | 159.8 | 0 | 0 | 0 | 112.7 | L52 F59 F94 S100 F101 L102 A107 A110 L111 | L52-I98 HydrophobicContact CD1-CD1 4.32Å; L52-I98 HydrophobicContact CD1-CG1 4.43Å; F59-I98 HydrophobicContact CE1-CB 4.27Å; F94-I98 HydrophobicContact CD1-CG2 4.48Å; F94-I98 HydrophobicContact CE1-CB 4.3Å; F94-I98 HydrophobicContact CE1-CD1 3.57Å; F94-I98 HydrophobicContact CE1-CG2 4.37Å; F94-I98 HydrophobicContact CZ-CD1 3.61Å; F94-I98 WeakPolarHBondContact O-CB 3.35Å; F94-I98 WeakPolarHBondContact O-CG2 3.47Å; F94-I98 PolarHBondContact O-N 3.01Å; I98-S100 VanDerWaalsContact C-N 3.32Å; I98-S100 PolarHBondContact O-N 2.99Å; I98-F101 CarbonylContact O-C 3.59Å; I98-F101 WeakPolarHBondContact O-CA 3.38Å; I98-F101 PolarHBondContact O-N 3.07Å; I98-L102 HydrophobicContact CG2-CD2 4.46Å; I98-L102 PolarHBondContact O-N 2.96Å; I98-A107 HydrophobicContact CD1-CB 4.17Å; I98-A107 WeakPolarHBondContact CD1-O 3.42Å; I98-A107 HydrophobicContact CG1-CB 3.89Å; I98-A110 HydrophobicContact CD1-CB 4.41Å; I98-L111 HydrophobicContact CD1-CB 4.15Å; I98-L111 HydrophobicContact CG2-CD1 4.46Å |
| 99 | S | 87.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -49.8 | -49.6 | -177.8 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | L95 Y97 F101 L102 C131 Y135 Y196 | L95-S99 PolarHBondContact O-N 3.28Å; Y97-S99 PolarHBondContact O-N 3.41Å; S99-F101 PolarHBondContact O-N 3.13Å; S99-L102 WeakPolarHBondContact O-CG 3.4Å; S99-L102 PolarHBondContact O-N 3.36Å; S99-L102 VanDerWaalsContact O-N 3.16Å; S99-C131 PolarHBondContact OG-O 3.44Å; S99-Y135 WeakPolarHBondContact O-CE2 3.48Å; S99-Y135 VanDerWaalsContact O-CZ 3.31Å; S99-Y135 PolarHBondContact O-OH 2.81Å; S99-Y196 WeakPolarHBondContact CB-OH 3.24Å; S99-Y196 PolarHBondContact OG-OH 2.85Å |
| 100 | S | 84.3 | Confident | 86.5 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 20% | 0.203 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.3 | 179.5 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | Y97 I98 | Y97-S100 PolarHBondContact O-OG 3.39Å; I98-S100 VanDerWaalsContact C-N 3.32Å; I98-S100 PolarHBondContact O-N 2.99Å |
| 101 | F | 85.5 | Confident | 86.6 | Confident | 28 Ų | 28 | 31.4 Ų | 31.4 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -0.7 | -177.5 | -60.1 | -85.6 | 0 | 0 | 0 | 113.4 | E56 F59 Y97 I98 S99 K103 H104 A107 | E56-F101 HydrophobicContact CB-CZ 4.06Å; E56-F101 HydrophobicContact CG-CZ 4.11Å; F59-F101 AromaticContact CE2-CD2 3.89Å; F59-F101 HydrophobicContact CE2-CD2 3.89Å; F59-F101 AromaticContact CE2-CE2 3.68Å; F59-F101 HydrophobicContact CE2-CE2 3.68Å; F59-F101 HydrophobicContact CE2-CZ 4.33Å; F59-F101 AromaticContact CZ-CD2 3.83Å; F59-F101 HydrophobicContact CZ-CD2 3.83Å; F59-F101 AromaticContact CZ-CE2 3.95Å; F59-F101 HydrophobicContact CZ-CE2 3.95Å; Y97-F101 WeakPolarHBondContact O-CD2 3.12Å; I98-F101 CarbonylContact O-C 3.59Å; I98-F101 WeakPolarHBondContact O-CA 3.38Å; I98-F101 PolarHBondContact O-N 3.07Å; S99-F101 PolarHBondContact O-N 3.13Å; F101-K103 PolarHBondContact O-N 2.98Å; F101-H104 WeakPolarHBondContact O-CB 3.49Å; F101-H104 PolarHBondContact O-N 3.45Å; F101-A107 HydrophobicContact CB-CB 3.87Å; F101-A107 WeakPolarHBondContact O-CB 3.33Å |
| 102 | L | 85.4 | Confident | 86.7 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18 | -176.5 | -73 | -178.6 | 0 | 0 | 0 | 114.7 | I98 S99 H104 L111 I132 Y135 F144 | I98-L102 HydrophobicContact CG2-CD2 4.46Å; I98-L102 PolarHBondContact O-N 2.96Å; S99-L102 WeakPolarHBondContact O-CG 3.4Å; S99-L102 PolarHBondContact O-N 3.36Å; S99-L102 VanDerWaalsContact O-N 3.16Å; L102-H104 VanDerWaalsContact C-N 3.25Å; L102-H104 PolarHBondContact O-N 2.75Å; L102-L111 HydrophobicContact CD2-CD2 3.87Å; L102-I132 HydrophobicContact CD1-CG2 4.03Å; L102-Y135 HydrophobicContact CB-CD2 4.26Å; L102-Y135 HydrophobicContact CB-CE2 3.91Å; L102-Y135 HydrophobicContact CD1-CD2 3.86Å; L102-Y135 HydrophobicContact CD1-CE2 3.78Å; L102-Y135 HydrophobicContact CG-CE2 4.28Å; L102-F144 HydrophobicContact CD2-CZ 4.07Å |
| 103 | K | 83 | Confident | 86.9 | Confident | 126 Ų | 126 | 30.1 Ų | 30.1 | 55% | 0.548 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.8 | 172.6 | -67.5 | 170.2 | 178.1 | 133.9 | 0 | 112.7 | F101 Y135 D210 | F101-K103 PolarHBondContact O-N 2.98Å; K103-Y135 HydrophobicContact CD-CE1 4.25Å; K103-Y135 HydrophobicContact CG-CD1 4.45Å; K103-Y135 HydrophobicContact CG-CE1 4Å; K103-D210 IonicContact NZ-OD1 2.61Å; K103-D210 PolarHBondContact NZ-OD1 3.48Å; K103-D210 IonicContact NZ-OD2 3.33Å; K103-D210 PolarHBondContact NZ-OD2 3.36Å |
| 104 | H | 86.6 | Confident | 87 | Confident | 96 Ų | 96 | 26.3 Ų | 26.3 | 44% | 0.444 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -88.6 | 129 | 176.3 | -66.9 | -79.7 | 0 | 0 | 0 | 110.4 | F101 L102 V106 A107 V108 | F101-H104 WeakPolarHBondContact O-CB 3.49Å; F101-H104 PolarHBondContact O-N 3.45Å; L102-H104 VanDerWaalsContact C-N 3.25Å; L102-H104 PolarHBondContact O-N 2.75Å; H104-V106 PolarHBondContact O-N 3.4Å; H104-A107 WeakPolarHBondContact O-CB 3.47Å; H104-A107 PolarHBondContact O-N 3.14Å; H104-V108 PolarHBondContact O-N 2.95Å |
| 105 | F | 84.8 | Confident | 86.9 | Confident | 131 Ų | 131 | 26.4 Ų | 26.4 | 58% | 0.575 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -57.2 | -34.2 | 178.5 | -176.9 | -104.3 | 0 | 0 | 0 | 112.7 | I29 A107 V108 Q109 | I29-F105 HydrophobicContact CD1-CZ 4.18Å; I29-F105 HydrophobicContact CG1-CZ 4.5Å; F105-A107 VanDerWaalsContact C-N 3.26Å; F105-A107 PolarHBondContact O-N 2.89Å; F105-V108 PolarHBondContact O-N 3.34Å; F105-V108 VanDerWaalsContact O-N 3.1Å; F105-Q109 PolarHBondContact O-N 3.38Å |
| 106 | V | 88.1 | Confident | 86.6 | Confident | 38 Ų | 38 | 26.7 Ų | 26.7 | 23% | 0.23 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.8 | -39.8 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | S48 K51 L52 H104 Q109 A110 | S48-V106 WeakPolarHBondContact O-CG1 3.31Å; K51-V106 HydrophobicContact CB-CG1 3.87Å; L52-V106 HydrophobicContact CB-CG1 4.24Å; H104-V106 PolarHBondContact O-N 3.4Å; V106-Q109 PolarHBondContact O-N 3.19Å; V106-A110 PolarHBondContact O-N 3.04Å |
| 107 | A | 87.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.9 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L52 I98 F101 H104 F105 Q109 A110 L111 | L52-A107 HydrophobicContact CD1-CB 3.68Å; I98-A107 HydrophobicContact CD1-CB 4.17Å; I98-A107 WeakPolarHBondContact CD1-O 3.42Å; I98-A107 HydrophobicContact CG1-CB 3.89Å; F101-A107 HydrophobicContact CB-CB 3.87Å; F101-A107 WeakPolarHBondContact O-CB 3.33Å; H104-A107 WeakPolarHBondContact O-CB 3.47Å; H104-A107 PolarHBondContact O-N 3.14Å; F105-A107 VanDerWaalsContact C-N 3.26Å; F105-A107 PolarHBondContact O-N 2.89Å; A107-Q109 VanDerWaalsContact C-N 3.28Å; A107-Q109 PolarHBondContact O-N 3.02Å; A107-A110 PolarHBondContact O-N 3.21Å; A107-L111 VanDerWaalsContact O-CB 3.32Å; A107-L111 WeakPolarHBondContact O-CB 3.35Å; A107-L111 PolarHBondContact O-N 2.92Å |
| 108 | V | 88.1 | Confident | 86.3 | Confident | 14 Ų | 14 | 26.8 Ų | 26.8 | 9% | 0.085 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | L28 H104 F105 L111 E112 F144 | L28-V108 HydrophobicContact CB-CG1 4.38Å; L28-V108 HydrophobicContact CD1-CG1 4.41Å; H104-V108 PolarHBondContact O-N 2.95Å; F105-V108 PolarHBondContact O-N 3.34Å; F105-V108 VanDerWaalsContact O-N 3.1Å; V108-L111 PolarHBondContact O-N 3.26Å; V108-E112 PolarHBondContact O-N 3.25Å; V108-F144 HydrophobicContact CG1-CZ 4.27Å; V108-F144 HydrophobicContact CG2-CZ 4.31Å |
| 109 | Q | 86.5 | Confident | 85.9 | Confident | 38 Ų | 38 | 28 Ų | 28 | 18% | 0.178 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71 | -34.6 | 176.6 | -167.9 | 174.2 | -3.6 | 0 | 0 | 113.4 | I29 S44 C45 S48 F105 V106 A107 E112 | I29-Q109 HydrophobicContact CD1-CB 3.73Å; I29-Q109 HydrophobicContact CD1-CG 3.79Å; S44-Q109 PolarHBondContact OG-NE2 2.85Å; C45-Q109 PolarHBondContact SG-O 3.11Å; S48-Q109 WeakPolarHBondContact OG-CG 3.47Å; S48-Q109 PolarHBondContact OG-NE2 3.38Å; S48-Q109 PolarHBondContact OG-OE1 3.41Å; F105-Q109 PolarHBondContact O-N 3.38Å; V106-Q109 PolarHBondContact O-N 3.19Å; A107-Q109 VanDerWaalsContact C-N 3.28Å; A107-Q109 PolarHBondContact O-N 3.02Å; Q109-E112 WeakPolarHBondContact O-CB 3.41Å; Q109-E112 PolarHBondContact O-N 2.93Å |
| 110 | A | 87.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.1 | -39.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F49 L52 F67 I98 V106 A107 E112 W113 | F49-A110 HydrophobicContact CB-CB 4.38Å; L52-A110 HydrophobicContact CD1-CB 4.45Å; F67-A110 HydrophobicContact CZ-CB 4.36Å; F67-A110 WeakPolarHBondContact CZ-O 3.25Å; I98-A110 HydrophobicContact CD1-CB 4.41Å; V106-A110 PolarHBondContact O-N 3.04Å; A107-A110 PolarHBondContact O-N 3.21Å; A110-E112 VanDerWaalsContact C-N 3.27Å; A110-E112 PolarHBondContact O-N 2.73Å; A110-W113 PolarHBondContact O-N 3.15Å |
| 111 | L | 88.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.5 | -26.6 | 178.2 | -170.4 | 62.2 | 0 | 0 | 0 | 113 | L28 F94 L95 I98 L102 A107 V108 W113 L114 V115 I120 F144 | L28-L111 HydrophobicContact CD1-CD2 4.45Å; L28-L111 HydrophobicContact CD1-CG 4.43Å; F94-L111 HydrophobicContact CE1-CD1 4.33Å; L95-L111 HydrophobicContact CD2-CD1 3.62Å; I98-L111 HydrophobicContact CD1-CB 4.15Å; I98-L111 HydrophobicContact CG2-CD1 4.46Å; L102-L111 HydrophobicContact CD2-CD2 3.87Å; A107-L111 VanDerWaalsContact O-CB 3.32Å; A107-L111 WeakPolarHBondContact O-CB 3.35Å; A107-L111 PolarHBondContact O-N 2.92Å; V108-L111 PolarHBondContact O-N 3.26Å; L111-W113 PolarHBondContact O-N 3.47Å; L111-L114 HydrophobicContact CD1-CB 4.32Å; L111-L114 HydrophobicContact CD1-CD2 4.44Å; L111-L114 WeakPolarHBondContact O-CB 3.39Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-V115 PolarHBondContact O-N 2.98Å; L111-V115 VanDerWaalsContact O-N 3.08Å; L111-I120 HydrophobicContact CD1-CD1 3.77Å; L111-I120 HydrophobicContact CG-CD1 4.33Å; L111-F144 HydrophobicContact CD2-CD1 4.5Å; L111-F144 HydrophobicContact CD2-CE1 3.48Å; L111-F144 VanDerWaalsContact CD2-CE1 3.48Å; L111-F144 HydrophobicContact CD2-CZ 3.91Å |
| 112 | E | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.1 | -38.8 | 175 | 179.9 | 56.8 | -157.2 | 0 | 0 | 111.9 | S27 L28 I29 Y30 V108 Q109 A110 L114 V115 F116 | S27-E112 VanDerWaalsContact CA-OE1 3.31Å; S27-E112 WeakPolarHBondContact CA-OE1 3.2Å; S27-E112 WeakPolarHBondContact CB-OE1 3.47Å; S27-E112 PolarHBondContact OG-OE1 3.24Å; S27-E112 PolarHBondContact OG-OE2 3.07Å; L28-E112 WeakPolarHBondContact CA-OE2 2.96Å; L28-E112 VanDerWaalsContact CB-OE2 3.26Å; L28-E112 WeakPolarHBondContact CB-OE2 3.02Å; L28-E112 PolarHBondContact N-OE2 3.49Å; I29-E112 HydrophobicContact CD1-CB 4.05Å; I29-E112 HydrophobicContact CD1-CG 4.29Å; Y30-E112 HydrophobicContact CE2-CG 4.25Å; V108-E112 PolarHBondContact O-N 3.25Å; Q109-E112 WeakPolarHBondContact O-CB 3.41Å; Q109-E112 PolarHBondContact O-N 2.93Å; A110-E112 VanDerWaalsContact C-N 3.27Å; A110-E112 PolarHBondContact O-N 2.73Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 2.88Å; E112-V115 PolarHBondContact O-N 2.64Å; E112-V115 VanDerWaalsContact O-N 3.16Å; E112-F116 WeakPolarHBondContact O-CB 3.38Å; E112-F116 PolarHBondContact O-N 2.94Å |
| 113 | W | 89.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59 | -40 | 175.6 | -177.9 | -123 | 0 | 0 | 0 | 112.5 | Y42 C45 L66 F67 S71 A110 L111 K117 F118 | Y42-W113 HydrophobicContact CD2-CD2 4.04Å; Y42-W113 AromaticContact CD2-CE2 3.66Å; Y42-W113 HydrophobicContact CD2-CE3 4.21Å; Y42-W113 AromaticContact CD2-CH2 3.71Å; Y42-W113 HydrophobicContact CD2-CH2 3.71Å; Y42-W113 AromaticContact CD2-CZ2 3.5Å; Y42-W113 HydrophobicContact CD2-CZ2 3.5Å; Y42-W113 HydrophobicContact CD2-CZ3 4.06Å; Y42-W113 HydrophobicContact CE2-CZ2 4.17Å; Y42-W113 HydrophobicContact CG-CH2 4.13Å; Y42-W113 HydrophobicContact CG-CZ2 4.36Å; Y42-W113 HydrophobicContact CG-CZ3 4.31Å; C45-W113 HydrophobicContact CB-CB 3.79Å; L66-W113 PolarHBondContact O-NE1 3.45Å; L66-W113 VanDerWaalsContact O-NE1 3.07Å; F67-W113 AromaticContact CD1-CD1 3.84Å; F67-W113 HydrophobicContact CD1-CG 4.41Å; F67-W113 HydrophobicContact CE1-CB 3.91Å; F67-W113 AromaticContact CE1-CD1 3.77Å; F67-W113 HydrophobicContact CE1-CG 4.12Å; S71-W113 WeakPolarHBondContact OG-CZ2 3.4Å; A110-W113 PolarHBondContact O-N 3.15Å; L111-W113 PolarHBondContact O-N 3.47Å; W113-K117 HydrophobicContact CD2-CB 4.13Å; W113-K117 HydrophobicContact CE3-CB 4.15Å; W113-K117 HydrophobicContact CH2-CB 3.97Å; W113-K117 HydrophobicContact CH2-CD 4.32Å; W113-K117 HydrophobicContact CH2-CG 3.95Å; W113-K117 HydrophobicContact CZ2-CB 3.93Å; W113-K117 HydrophobicContact CZ2-CG 3.79Å; W113-K117 HydrophobicContact CZ3-CB 4.07Å; W113-K117 WeakPolarHBondContact O-CB 3.49Å; W113-K117 PolarHBondContact O-N 3.29Å; W113-F118 AromaticContact NE1-CE2 3.78Å |
| 114 | L | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.4 | -36.1 | 177.5 | -71.4 | 82.4 | 0 | 0 | 0 | 112.2 | L66 F67 I91 F94 L111 E112 F118 Q119 I120 | L66-L114 HydrophobicContact CD1-CD2 4.42Å; F67-L114 HydrophobicContact CE2-CD1 4.26Å; F67-L114 HydrophobicContact CZ-CD1 3.8Å; I91-L114 HydrophobicContact CG2-CD2 4.44Å; F94-L114 HydrophobicContact CD1-CD1 4Å; F94-L114 HydrophobicContact CD1-CD2 3.49Å; F94-L114 VanDerWaalsContact CD1-CD2 3.49Å; F94-L114 HydrophobicContact CD1-CG 4.42Å; F94-L114 HydrophobicContact CE1-CD1 3.54Å; F94-L114 HydrophobicContact CE1-CD2 3.89Å; F94-L114 HydrophobicContact CE1-CG 4.39Å; F94-L114 HydrophobicContact CG-CD2 4.33Å; F94-L114 HydrophobicContact CZ-CD1 4.12Å; L111-L114 HydrophobicContact CD1-CB 4.32Å; L111-L114 HydrophobicContact CD1-CD2 4.44Å; L111-L114 WeakPolarHBondContact O-CB 3.39Å; L111-L114 PolarHBondContact O-N 2.92Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 2.88Å; L114-F118 HydrophobicContact CG-CD2 4.41Å; L114-F118 CarbonylContact O-C 3.55Å; L114-F118 WeakPolarHBondContact O-CA 3.39Å; L114-F118 WeakPolarHBondContact O-CB 3.49Å; L114-F118 PolarHBondContact O-N 2.73Å; L114-Q119 PolarHBondContact O-N 3.06Å; L114-Q119 VanDerWaalsContact O-N 3.08Å; L114-I120 HydrophobicContact CB-CD1 3.84Å; L114-I120 HydrophobicContact CB-CG1 4.32Å; L114-I120 HydrophobicContact CB-CG2 3.89Å; L114-I120 HydrophobicContact CD2-CG2 4.42Å; L114-I120 PolarHBondContact O-N 3.07Å |
| 115 | V | 87.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.9 | -46.2 | 174.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | L28 L111 E112 Q119 I120 I147 | L28-V115 HydrophobicContact CD1-CB 4.43Å; L28-V115 HydrophobicContact CD1-CG2 3.61Å; L28-V115 HydrophobicContact CG-CG1 4.48Å; L28-V115 HydrophobicContact CG-CG2 4.05Å; L111-V115 PolarHBondContact O-N 2.98Å; L111-V115 VanDerWaalsContact O-N 3.08Å; E112-V115 PolarHBondContact O-N 2.64Å; E112-V115 VanDerWaalsContact O-N 3.16Å; V115-Q119 WeakPolarHBondContact O-CA 3.46Å; V115-Q119 PolarHBondContact O-N 2.68Å; V115-I120 HydrophobicContact CG2-CD1 3.81Å; V115-I120 HydrophobicContact CG2-CG1 3.75Å; V115-I147 HydrophobicContact CB-CD1 4.44Å; V115-I147 HydrophobicContact CG1-CD1 3.63Å; V115-I147 HydrophobicContact CG2-CD1 3.86Å |
| 116 | F | 81.9 | Confident | 85.4 | Confident | 9 Ų | 9 | 20.1 Ų | 20.1 | 4% | 0.039 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.5 | -47.1 | -173.1 | -171.5 | -97 | 0 | 0 | 0 | 112.5 | A33 T38 C41 E112 | A33-F116 HydrophobicContact CB-CE2 4.38Å; T38-F116 HydrophobicContact CG2-CE1 3.94Å; C41-F116 HydrophobicContact CB-CD1 4.3Å; C41-F116 HydrophobicContact CB-CE1 4.19Å; E112-F116 WeakPolarHBondContact O-CB 3.38Å; E112-F116 PolarHBondContact O-N 2.94Å |
| 117 | K | 81.5 | Confident | 85.3 | Confident | 44 Ų | 44 | 20.2 Ų | 20.2 | 19% | 0.191 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -44.9 | -174.3 | -174.6 | 60.9 | 175.8 | 174.9 | 0 | 113.6 | S71 C72 L74 W113 | S71-K117 WeakPolarHBondContact O-CE 3.49Å; C72-K117 WeakPolarHBondContact O-CE 3.2Å; C72-K117 PolarHBondContact O-NZ 3.13Å; L74-K117 WeakPolarHBondContact O-CE 3.34Å; L74-K117 PolarHBondContact O-NZ 3.41Å; W113-K117 HydrophobicContact CD2-CB 4.13Å; W113-K117 HydrophobicContact CE3-CB 4.15Å; W113-K117 HydrophobicContact CH2-CB 3.97Å; W113-K117 HydrophobicContact CH2-CD 4.32Å; W113-K117 HydrophobicContact CH2-CG 3.95Å; W113-K117 HydrophobicContact CZ2-CB 3.93Å; W113-K117 HydrophobicContact CZ2-CG 3.79Å; W113-K117 HydrophobicContact CZ3-CB 4.07Å; W113-K117 WeakPolarHBondContact O-CB 3.49Å; W113-K117 PolarHBondContact O-N 3.29Å |
| 118 | F | 81.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.013 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -92 | -4.1 | -176.5 | -64.4 | -83.5 | 0 | 0 | 0 | 113.4 | L66 L74 M76 L87 I91 W113 L114 I120 | L66-F118 HydrophobicContact CD2-CE1 4.49Å; L66-F118 HydrophobicContact CD2-CE2 4.4Å; L66-F118 HydrophobicContact CD2-CZ 4.11Å; L74-F118 HydrophobicContact CD2-CE1 4.33Å; M76-F118 HydrophobicContact SD-CD1 3.98Å; L87-F118 HydrophobicContact CD1-CD1 4.24Å; L87-F118 HydrophobicContact CD1-CE1 3.73Å; L87-F118 HydrophobicContact CD1-CZ 4.46Å; L87-F118 HydrophobicContact CD2-CD1 4.08Å; L87-F118 HydrophobicContact CD2-CE1 4.06Å; L87-F118 HydrophobicContact CG-CE1 4.47Å; I91-F118 HydrophobicContact CD1-CB 4.29Å; I91-F118 HydrophobicContact CD1-CD1 4.12Å; I91-F118 HydrophobicContact CD1-CG 4.31Å; W113-F118 AromaticContact NE1-CE2 3.78Å; L114-F118 HydrophobicContact CG-CD2 4.41Å; L114-F118 CarbonylContact O-C 3.55Å; L114-F118 WeakPolarHBondContact O-CA 3.39Å; L114-F118 WeakPolarHBondContact O-CB 3.49Å; L114-F118 PolarHBondContact O-N 2.73Å; F118-I120 VanDerWaalsContact C-N 3.27Å; F118-I120 HydrophobicContact CB-CG2 4.22Å; F118-I120 PolarHBondContact O-N 3.02Å |
| 119 | Q | 81.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 19.6 Ų | 19.6 | 11% | 0.112 | 9% | 0.093 | C | C | . | . | trans | 48.7 | 47.1 | 178.8 | -60.5 | 179.2 | -2 | 0 | 0 | 112.6 | D21 L114 V115 H121 I122 H123 | D21-Q119 PolarHBondContact OD1-NE2 3.08Å; L114-Q119 PolarHBondContact O-N 3.06Å; L114-Q119 VanDerWaalsContact O-N 3.08Å; V115-Q119 WeakPolarHBondContact O-CA 3.46Å; V115-Q119 PolarHBondContact O-N 2.68Å; Q119-H121 PolarHBondContact O-N 3.31Å; Q119-I122 HydrophobicContact CB-CB 4.47Å; Q119-I122 HydrophobicContact CB-CD1 4.36Å; Q119-I122 PolarHBondContact O-N 3.36Å; Q119-H123 PolarHBondContact O-N 3.16Å; Q119-H123 VanDerWaalsContact O-N 3.11Å | ||
| 120 | I | 85.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.7 | -27.2 | -175.6 | 59.4 | 171.9 | 0 | 0 | 0 | 114.4 | I91 L95 L111 L114 V115 F118 I122 Y124 F128 | I91-I120 HydrophobicContact CG2-CG2 4.06Å; L95-I120 HydrophobicContact CD2-CD1 4.06Å; L111-I120 HydrophobicContact CD1-CD1 3.77Å; L111-I120 HydrophobicContact CG-CD1 4.33Å; L114-I120 HydrophobicContact CB-CD1 3.84Å; L114-I120 HydrophobicContact CB-CG1 4.32Å; L114-I120 HydrophobicContact CB-CG2 3.89Å; L114-I120 HydrophobicContact CD2-CG2 4.42Å; L114-I120 PolarHBondContact O-N 3.07Å; V115-I120 HydrophobicContact CG2-CD1 3.81Å; V115-I120 HydrophobicContact CG2-CG1 3.75Å; F118-I120 VanDerWaalsContact C-N 3.27Å; F118-I120 HydrophobicContact CB-CG2 4.22Å; F118-I120 PolarHBondContact O-N 3.02Å; I120-I122 PolarHBondContact O-N 3.27Å; I120-Y124 HydrophobicContact CB-CD2 4.34Å; I120-Y124 HydrophobicContact CG2-CD2 3.92Å; I120-Y124 CarbonylContact O-C 3.6Å; I120-Y124 VanDerWaalsContact O-C 3.26Å; I120-Y124 WeakPolarHBondContact O-CA 3.5Å; I120-Y124 PolarHBondContact O-N 3.42Å; I120-F128 HydrophobicContact CD1-CD2 3.54Å; I120-F128 HydrophobicContact CD1-CE2 3.78Å; I120-F128 HydrophobicContact CG1-CD2 4.05Å; I120-F128 HydrophobicContact CG1-CE2 4.29Å |
| 121 | H | 83 | Confident | 85.5 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.4 | -7.8 | 176.6 | 64.1 | -78.4 | 0 | 0 | 0 | 114.1 | Q119 F128 I147 L148 | Q119-H121 PolarHBondContact O-N 3.31Å; H121-F128 HydrophobicContact CB-CE1 4.47Å; H121-I147 HydrophobicContact CB-CD1 3.67Å; H121-I147 HydrophobicContact CB-CG1 4.03Å; H121-I147 PolarHBondContact CD2-O 3.17Å; H121-L148 HydrophobicContact CB-CD2 4.28Å |
| 122 | I | 81.2 | Confident | 85.5 | Confident | 36 Ų | 36 | 19.4 Ų | 19.4 | 19% | 0.185 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -113.2 | -50.9 | 176.8 | -59 | 177 | 0 | 0 | 0 | 110.4 | Q119 I120 V125 | Q119-I122 HydrophobicContact CB-CB 4.47Å; Q119-I122 HydrophobicContact CB-CD1 4.36Å; Q119-I122 PolarHBondContact O-N 3.36Å; I120-I122 PolarHBondContact O-N 3.27Å; I122-V125 WeakPolarHBondContact O-CG2 3.5Å |
| 123 | H | 79.8 | Confident | 85.6 | Confident | 90 Ų | 90 | 19.4 Ų | 19.4 | 42% | 0.417 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -89.4 | -28.4 | -171.6 | -64 | -48.9 | 0 | 0 | 0 | 114.5 | Q119 | Q119-H123 PolarHBondContact O-N 3.16Å; Q119-H123 VanDerWaalsContact O-N 3.11Å |
| 124 | Y | 85.1 | Confident | 85.5 | Confident | 13 Ų | 13 | 20.3 Ų | 20.3 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -123.3 | 41.5 | -171.9 | -57.5 | -84 | 0 | 0 | 0 | 111.3 | M76 D88 I91 I120 E126 D127 F128 | M76-Y124 HydrophobicContact CE-CE2 3.92Å; D88-Y124 HydrophobicContact CB-CE1 4.12Å; D88-Y124 WeakPolarHBondContact OD1-CE1 3.42Å; D88-Y124 PolarHBondContact OD1-OH 3.14Å; I91-Y124 HydrophobicContact CD1-CD2 4.22Å; I91-Y124 HydrophobicContact CD1-CE1 4.31Å; I91-Y124 HydrophobicContact CD1-CE2 3.54Å; I91-Y124 HydrophobicContact CG2-CD1 4.3Å; I91-Y124 HydrophobicContact CG2-CD2 4.3Å; I91-Y124 HydrophobicContact CG2-CG 4.14Å; I120-Y124 HydrophobicContact CB-CD2 4.34Å; I120-Y124 HydrophobicContact CG2-CD2 3.92Å; I120-Y124 CarbonylContact O-C 3.6Å; I120-Y124 VanDerWaalsContact O-C 3.26Å; I120-Y124 WeakPolarHBondContact O-CA 3.5Å; I120-Y124 PolarHBondContact O-N 3.42Å; Y124-E126 VanDerWaalsContact C-N 3.33Å; Y124-E126 PolarHBondContact O-N 3.32Å; Y124-D127 PolarHBondContact O-N 3.39Å; Y124-F128 WeakPolarHBondContact O-CB 3.2Å; Y124-F128 PolarHBondContact O-N 3.31Å |
| 125 | V | 85.6 | Confident | 85.6 | Confident | 13 Ų | 13 | 20.9 Ų | 20.9 | 8% | 0.079 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.2 | -43.3 | -171.6 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | I122 F128 I129 L148 L153 | I122-V125 WeakPolarHBondContact O-CG2 3.5Å; V125-F128 PolarHBondContact O-N 3.21Å; V125-I129 HydrophobicContact CG1-CD1 3.66Å; V125-I129 HydrophobicContact CG1-CG1 4.33Å; V125-I129 WeakPolarHBondContact O-CB 3.31Å; V125-I129 VanDerWaalsContact O-CG1 3.23Å; V125-I129 WeakPolarHBondContact O-CG1 3.32Å; V125-I129 PolarHBondContact O-N 3.39Å; V125-L148 HydrophobicContact CG1-CD2 4.28Å; V125-L153 HydrophobicContact CG1-CD1 3.45Å; V125-L153 VanDerWaalsContact CG1-CD1 3.45Å; V125-L153 HydrophobicContact CG1-CG 4.34Å; V125-L153 HydrophobicContact CG2-CD1 4.32Å |
| 126 | E | 85.8 | Confident | 85.7 | Confident | 93 Ų | 93 | 21.2 Ų | 21.2 | 44% | 0.435 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -67.4 | -45.9 | -176.5 | -56.4 | -158.4 | 155.1 | 0 | 0 | 112.1 | Y124 F128 I129 R130 F157 F188 | Y124-E126 VanDerWaalsContact C-N 3.33Å; Y124-E126 PolarHBondContact O-N 3.32Å; E126-F128 VanDerWaalsContact C-N 3.31Å; E126-I129 PolarHBondContact O-N 3.43Å; E126-R130 WeakPolarHBondContact O-CB 3.38Å; E126-R130 PolarHBondContact O-N 3Å; E126-F157 HydrophobicContact CG-CE2 3.86Å; E126-F157 HydrophobicContact CG-CZ 4.46Å; E126-F188 HydrophobicContact CB-CE2 4.47Å |
| 127 | D | 86.2 | Confident | 85.8 | Confident | 41 Ų | 41 | 25 Ų | 25 | 22% | 0.219 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.9 | -36.4 | 177.4 | -60.8 | -55.3 | 0 | 0 | 0 | 111.5 | L95 Y124 R130 C131 | L95-D127 HydrophobicContact CD1-CB 3.78Å; Y124-D127 PolarHBondContact O-N 3.39Å; D127-R130 WeakPolarHBondContact O-CB 3.47Å; D127-R130 PolarHBondContact O-N 3.47Å; D127-C131 WeakPolarHBondContact O-CB 3.18Å; D127-C131 PolarHBondContact O-N 3.31Å |
| 128 | F | 88.1 | Confident | 86 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 175.3 | -178.9 | -111.4 | 0 | 0 | 0 | 111.9 | I120 H121 Y124 V125 E126 R130 C131 I132 F144 I147 L148 | I120-F128 HydrophobicContact CD1-CD2 3.54Å; I120-F128 HydrophobicContact CD1-CE2 3.78Å; I120-F128 HydrophobicContact CG1-CD2 4.05Å; I120-F128 HydrophobicContact CG1-CE2 4.29Å; H121-F128 HydrophobicContact CB-CE1 4.47Å; Y124-F128 WeakPolarHBondContact O-CB 3.2Å; Y124-F128 PolarHBondContact O-N 3.31Å; V125-F128 PolarHBondContact O-N 3.21Å; E126-F128 VanDerWaalsContact C-N 3.31Å; F128-R130 VanDerWaalsContact C-N 3.3Å; F128-R130 PolarHBondContact O-N 3.43Å; F128-C131 WeakPolarHBondContact O-CB 3.49Å; F128-C131 PolarHBondContact O-N 2.86Å; F128-I132 HydrophobicContact CE1-CD1 4.4Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 3.03Å; F128-F144 HydrophobicContact CE1-CB 4.33Å; F128-F144 AromaticContact CE2-CD1 3.81Å; F128-F144 HydrophobicContact CE2-CD1 3.81Å; F128-F144 HydrophobicContact CE2-CE1 4.32Å; F128-F144 HydrophobicContact CZ-CB 4Å; F128-F144 AromaticContact CZ-CD1 3.54Å; F128-F144 HydrophobicContact CZ-CD1 3.54Å; F128-F144 HydrophobicContact CZ-CE1 4.45Å; F128-F144 HydrophobicContact CZ-CG 4.22Å; F128-I147 HydrophobicContact CE1-CD1 4.29Å; F128-I147 HydrophobicContact CE1-CG1 4.33Å; F128-I147 HydrophobicContact CZ-CD1 3.77Å; F128-I147 HydrophobicContact CZ-CG1 4.18Å; F128-L148 HydrophobicContact CD1-CD2 3.83Å; F128-L148 HydrophobicContact CE1-CD2 3.94Å; F128-L148 HydrophobicContact CE1-CG 4.43Å |
| 129 | I | 89 | Confident | 86 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 174.3 | -69.9 | 171.2 | 0 | 0 | 0 | 110.1 | V125 E126 C131 I132 I133 L148 F157 L160 F188 | V125-I129 HydrophobicContact CG1-CD1 3.66Å; V125-I129 HydrophobicContact CG1-CG1 4.33Å; V125-I129 WeakPolarHBondContact O-CB 3.31Å; V125-I129 VanDerWaalsContact O-CG1 3.23Å; V125-I129 WeakPolarHBondContact O-CG1 3.32Å; V125-I129 PolarHBondContact O-N 3.39Å; E126-I129 PolarHBondContact O-N 3.43Å; I129-C131 VanDerWaalsContact C-N 3.27Å; I129-C131 PolarHBondContact O-N 3.04Å; I129-I132 WeakPolarHBondContact O-CG1 3.5Å; I129-I132 PolarHBondContact O-N 3Å; I129-I133 WeakPolarHBondContact O-CB 3.45Å; I129-I133 PolarHBondContact O-N 2.97Å; I129-L148 HydrophobicContact CD1-CD1 4.31Å; I129-L148 HydrophobicContact CG1-CD1 4.31Å; I129-F157 HydrophobicContact CD1-CB 3.92Å; I129-F157 HydrophobicContact CD1-CD1 3.51Å; I129-F157 HydrophobicContact CD1-CD2 3.98Å; I129-F157 HydrophobicContact CD1-CE1 3.97Å; I129-F157 HydrophobicContact CD1-CE2 4.4Å; I129-F157 HydrophobicContact CD1-CG 3.51Å; I129-F157 HydrophobicContact CD1-CZ 4.39Å; I129-F157 HydrophobicContact CG2-CD1 4.27Å; I129-F157 HydrophobicContact CG2-CE1 4.01Å; I129-L160 HydrophobicContact CD1-CD1 3.85Å; I129-L160 HydrophobicContact CG1-CD1 4.38Å; I129-F188 HydrophobicContact CB-CZ 4.31Å; I129-F188 HydrophobicContact CG2-CE1 3.94Å; I129-F188 HydrophobicContact CG2-CZ 3.92Å |
| 130 | R | 88.8 | Confident | 86.1 | Confident | 31 Ų | 31 | 29 Ų | 29 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -37.7 | 176.8 | 174.2 | 175 | -61.2 | 172 | 5.5 | 111.9 | E126 D127 F128 F188 T191 A192 S195 Y196 M211 | E126-R130 WeakPolarHBondContact O-CB 3.38Å; E126-R130 PolarHBondContact O-N 3Å; D127-R130 WeakPolarHBondContact O-CB 3.47Å; D127-R130 PolarHBondContact O-N 3.47Å; F128-R130 VanDerWaalsContact C-N 3.3Å; F128-R130 PolarHBondContact O-N 3.43Å; R130-F188 HydrophobicContact CB-CZ 3.83Å; R130-T191 PolarHBondContact NH2-OG1 3.08Å; R130-A192 HydrophobicContact CG-CB 3.81Å; R130-S195 WeakPolarHBondContact CD-OG 3.38Å; R130-S195 PolarHBondContact NH1-OG 3.04Å; R130-Y196 HydrophobicContact CG-CD2 4.27Å; R130-Y196 HydrophobicContact CG-CE2 3.69Å; R130-Y196 PolarHBondContact O-OH 2.93Å; R130-M211 WeakPolarHBondContact O-CE 3.48Å |
| 131 | C | 87.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 176 | -177.2 | 0 | 0 | 0 | 0 | 113.2 | L95 S99 D127 F128 I129 Y196 | L95-C131 HydrophobicContact CB-CB 4.23Å; L95-C131 HydrophobicContact CD2-CB 4.41Å; L95-C131 PolarHBondContact O-SG 3.22Å; S99-C131 PolarHBondContact OG-O 3.44Å; D127-C131 WeakPolarHBondContact O-CB 3.18Å; D127-C131 PolarHBondContact O-N 3.31Å; F128-C131 WeakPolarHBondContact O-CB 3.49Å; F128-C131 PolarHBondContact O-N 2.86Å; I129-C131 VanDerWaalsContact C-N 3.27Å; I129-C131 PolarHBondContact O-N 3.04Å; C131-Y196 WeakPolarHBondContact CA-OH 3.37Å |
| 132 | I | 89.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -95.8 | -18.9 | -169.9 | 65.2 | 176.7 | 0 | 0 | 0 | 114.2 | L102 F128 I129 Y135 F141 F144 I145 | L102-I132 HydrophobicContact CD1-CG2 4.03Å; F128-I132 HydrophobicContact CE1-CD1 4.4Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 3.03Å; I129-I132 WeakPolarHBondContact O-CG1 3.5Å; I129-I132 PolarHBondContact O-N 3Å; I132-Y135 WeakPolarHBondContact O-CB 3.49Å; I132-Y135 PolarHBondContact O-N 3.5Å; I132-F141 HydrophobicContact CB-CD2 4.15Å; I132-F141 HydrophobicContact CD1-CD2 3.9Å; I132-F141 HydrophobicContact CD1-CE2 4.08Å; I132-F141 HydrophobicContact CG1-CD2 3.79Å; I132-F141 HydrophobicContact CG1-CE2 3.96Å; I132-F144 HydrophobicContact CB-CD2 4.44Å; I132-F144 HydrophobicContact CD1-CB 3.59Å; I132-F144 HydrophobicContact CD1-CG 4.47Å; I132-F144 HydrophobicContact CG2-CB 4.02Å; I132-F144 HydrophobicContact CG2-CD1 4.1Å; I132-F144 HydrophobicContact CG2-CD2 3.77Å; I132-F144 HydrophobicContact CG2-CE2 4.27Å; I132-F144 HydrophobicContact CG2-CG 3.72Å; I132-I145 HydrophobicContact CD1-CG1 4.21Å |
| 133 | I | 89.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -58.2 | -30.9 | -172.1 | -154.8 | 168.7 | 0 | 0 | 0 | 115.7 | I129 Y135 H136 F175 F188 M211 F214 | I129-I133 WeakPolarHBondContact O-CB 3.45Å; I129-I133 PolarHBondContact O-N 2.97Å; I133-Y135 PolarHBondContact O-N 3.18Å; I133-Y135 VanDerWaalsContact O-N 3.1Å; I133-H136 WeakPolarHBondContact O-CB 3.28Å; I133-H136 PolarHBondContact O-N 3.27Å; I133-H136 PolarHBondContact O-ND1 3.16Å; I133-F175 HydrophobicContact CD1-CE2 4.31Å; I133-F175 HydrophobicContact CD1-CZ 3.89Å; I133-F175 HydrophobicContact CG1-CE2 4.25Å; I133-F175 HydrophobicContact CG1-CZ 4.08Å; I133-F188 HydrophobicContact CD1-CD1 4.17Å; I133-F188 HydrophobicContact CD1-CE1 3.9Å; I133-M211 HydrophobicContact CG2-CE 3.91Å; I133-F214 HydrophobicContact CB-CZ 4.3Å; I133-F214 HydrophobicContact CD1-CZ 4.08Å; I133-F214 HydrophobicContact CG1-CE1 4.35Å; I133-F214 HydrophobicContact CG1-CE2 4.37Å; I133-F214 HydrophobicContact CG1-CZ 3.68Å; I133-F214 HydrophobicContact CG2-CD1 4.5Å; I133-F214 HydrophobicContact CG2-CE1 3.76Å; I133-F214 HydrophobicContact CG2-CZ 3.94Å; I133-F214 WeakPolarHBondContact O-CE2 3.48Å |
| 134 | P | 89.2 | Confident | 86.9 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 13% | 0.13 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -59.6 | -25.2 | 174.3 | -25.3 | 38.3 | 0 | 0 | 0 | 112.9 | M211 F214 | P134-M211 HydrophobicContact CG-CE 3.47Å; P134-M211 VanDerWaalsContact CG-CE 3.47Å; P134-M211 HydrophobicContact CG-CG 4Å; P134-M211 HydrophobicContact CG-SD 3.48Å; P134-M211 WeakPolarHBondContact CG-SD 3.24Å; P134-F214 HydrophobicContact CB-CB 4.2Å; P134-F214 HydrophobicContact CB-CG 4.4Å |
| 135 | Y | 89.7 | Confident | 87 | Confident | 11 Ų | 11 | 29 Ų | 29 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -96.1 | 17.8 | -175.1 | -53.9 | -70.2 | 0 | 0 | 0 | 113.4 | S99 L102 K103 I132 I133 E137 T138 F141 D210 | S99-Y135 WeakPolarHBondContact O-CE2 3.48Å; S99-Y135 VanDerWaalsContact O-CZ 3.31Å; S99-Y135 PolarHBondContact O-OH 2.81Å; L102-Y135 HydrophobicContact CB-CD2 4.26Å; L102-Y135 HydrophobicContact CB-CE2 3.91Å; L102-Y135 HydrophobicContact CD1-CD2 3.86Å; L102-Y135 HydrophobicContact CD1-CE2 3.78Å; L102-Y135 HydrophobicContact CG-CE2 4.28Å; K103-Y135 HydrophobicContact CD-CE1 4.25Å; K103-Y135 HydrophobicContact CG-CD1 4.45Å; K103-Y135 HydrophobicContact CG-CE1 4Å; I132-Y135 WeakPolarHBondContact O-CB 3.49Å; I132-Y135 PolarHBondContact O-N 3.5Å; I133-Y135 PolarHBondContact O-N 3.18Å; I133-Y135 VanDerWaalsContact O-N 3.1Å; Y135-E137 PolarHBondContact O-N 3.47Å; Y135-T138 WeakPolarHBondContact O-CB 3.46Å; Y135-T138 PolarHBondContact O-N 3.07Å; Y135-T138 PolarHBondContact O-OG1 3.44Å; Y135-F141 VanDerWaalsContact O-CB 3.27Å; Y135-F141 WeakPolarHBondContact O-CB 3.22Å; Y135-D210 PolarHBondContact OH-OD2 3.45Å |
| 136 | H | 88.5 | Confident | 87 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -28.9 | -176.3 | 67.4 | -76.8 | 0 | 0 | 0 | 115.8 | I133 T138 F141 I170 F175 F214 | I133-H136 WeakPolarHBondContact O-CB 3.28Å; I133-H136 PolarHBondContact O-N 3.27Å; I133-H136 PolarHBondContact O-ND1 3.16Å; H136-T138 VanDerWaalsContact C-N 3.3Å; H136-F141 HydrophobicContact CB-CD1 4.18Å; H136-F141 HydrophobicContact CB-CE1 4.05Å; H136-F141 HydrophobicContact CB-CE2 4.47Å; H136-F141 HydrophobicContact CB-CG 4.41Å; H136-F141 HydrophobicContact CB-CZ 4.18Å; H136-I170 PolarHBondContact CD2-O 3.46Å; H136-I170 VanDerWaalsContact CD2-O 3.25Å; H136-I170 PolarHBondContact O-N 3.31Å; H136-F175 HydrophobicContact CB-CD2 4.31Å; H136-F175 HydrophobicContact CB-CE2 4.48Å; H136-F175 AromaticContact CD2-CD2 3.9Å; H136-F175 AromaticContact CD2-CG 3.83Å; H136-F214 AromaticContact CE1-CD2 3.81Å; H136-F214 AromaticContact CE1-CE2 3.71Å; H136-F214 AromaticContact ND1-CD2 3.79Å; H136-F214 AromaticContact ND1-CE2 3.51Å |
| 137 | E | 85.3 | Confident | 87 | Confident | 88 Ų | 88 | 29 Ų | 29 | 41% | 0.411 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.9 | 177.5 | -54.1 | -162.1 | 107 | 0 | 0 | 113.3 | Y135 A169 I170 R172 | Y135-E137 PolarHBondContact O-N 3.47Å; E137-A169 WeakPolarHBondContact O-CB 3.41Å; E137-I170 WeakPolarHBondContact CA-O 3.34Å; E137-R172 WeakPolarHBondContact OE1-CB 3.15Å; E137-R172 PolarHBondContact OE1-N 3.15Å; E137-R172 IonicContact OE1-NE 2.71Å; E137-R172 IonicContact OE2-CZ 3.2Å; E137-R172 IonicContact OE2-NE 3.96Å; E137-R172 IonicContact OE2-NH2 3.48Å; E137-R172 PolarHBondContact OE2-NH2 2.94Å |
| 138 | T | 85.6 | Confident | 86.9 | Confident | 52 Ų | 52 | 27.1 Ų | 27.1 | 32% | 0.319 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -103.5 | 153.4 | -174.4 | 73.3 | 0 | 0 | 0 | 0 | 112.2 | Y135 H136 L140 F141 | Y135-T138 WeakPolarHBondContact O-CB 3.46Å; Y135-T138 PolarHBondContact O-N 3.07Å; Y135-T138 PolarHBondContact O-OG1 3.44Å; H136-T138 VanDerWaalsContact C-N 3.3Å; T138-L140 PolarHBondContact O-N 3.35Å; T138-L140 PolarHBondContact OG1-N 3.05Å; T138-F141 PolarHBondContact O-N 2.96Å |
| 139 | G | 81.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 28.5 Ų | 28.5 | 52% | 0.515 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.2 | -16.8 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | V142 K143 | G139-V142 PolarHBondContact O-N 2.89Å; G139-K143 PolarHBondContact O-N 3.2Å |
| 140 | L | 83 | Confident | 86.1 | Confident | 52 Ų | 52 | 30.3 Ų | 30.3 | 27% | 0.272 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 173.8 | -68.8 | 170.2 | 0 | 0 | 0 | 110.6 | T138 V142 K143 F144 | T138-L140 PolarHBondContact O-N 3.35Å; T138-L140 PolarHBondContact OG1-N 3.05Å; L140-V142 VanDerWaalsContact C-N 3.25Å; L140-V142 PolarHBondContact O-N 3.32Å; L140-K143 WeakPolarHBondContact O-CB 3.26Å; L140-K143 PolarHBondContact O-N 2.99Å; L140-K143 VanDerWaalsContact O-N 3.1Å; L140-F144 HydrophobicContact CB-CD2 4.43Å; L140-F144 HydrophobicContact CB-CE2 4.26Å; L140-F144 WeakPolarHBondContact O-CD2 3.44Å; L140-F144 PolarHBondContact O-N 3.16Å |
| 141 | F | 87.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -39.8 | 178.9 | 178 | -108.7 | 0 | 0 | 0 | 112.6 | I132 Y135 H136 T138 F144 I145 L160 I170 | I132-F141 HydrophobicContact CB-CD2 4.15Å; I132-F141 HydrophobicContact CD1-CD2 3.9Å; I132-F141 HydrophobicContact CD1-CE2 4.08Å; I132-F141 HydrophobicContact CG1-CD2 3.79Å; I132-F141 HydrophobicContact CG1-CE2 3.96Å; Y135-F141 VanDerWaalsContact O-CB 3.27Å; Y135-F141 WeakPolarHBondContact O-CB 3.22Å; H136-F141 HydrophobicContact CB-CD1 4.18Å; H136-F141 HydrophobicContact CB-CE1 4.05Å; H136-F141 HydrophobicContact CB-CE2 4.47Å; H136-F141 HydrophobicContact CB-CG 4.41Å; H136-F141 HydrophobicContact CB-CZ 4.18Å; T138-F141 PolarHBondContact O-N 2.96Å; F141-F144 PolarHBondContact O-N 3.06Å; F141-I145 HydrophobicContact CD1-CD1 3.42Å; F141-I145 VanDerWaalsContact CD1-CD1 3.42Å; F141-I145 HydrophobicContact CD2-CD1 3.98Å; F141-I145 HydrophobicContact CE1-CD1 3.08Å; F141-I145 HydrophobicContact CE1-CG1 4.43Å; F141-I145 HydrophobicContact CE2-CD1 3.68Å; F141-I145 HydrophobicContact CE2-CG1 4.38Å; F141-I145 HydrophobicContact CG-CD1 3.88Å; F141-I145 HydrophobicContact CZ-CD1 3.25Å; F141-I145 HydrophobicContact CZ-CG1 4.35Å; F141-I145 WeakPolarHBondContact O-CG1 3.32Å; F141-I145 PolarHBondContact O-N 3.47Å; F141-L160 HydrophobicContact CE1-CD2 4.46Å; F141-L160 HydrophobicContact CZ-CD2 4.09Å; F141-I170 HydrophobicContact CE1-CD1 3.68Å; F141-I170 HydrophobicContact CE1-CG1 4.01Å; F141-I170 HydrophobicContact CZ-CD1 4.35Å |
| 142 | V | 86.6 | Confident | 84.9 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 175.8 | 180 | 0 | 0 | 0 | 0 | 111.1 | G139 L140 F144 I145 Q146 G167 A169 | G139-V142 PolarHBondContact O-N 2.89Å; L140-V142 VanDerWaalsContact C-N 3.25Å; L140-V142 PolarHBondContact O-N 3.32Å; V142-F144 VanDerWaalsContact C-N 3.29Å; V142-F144 PolarHBondContact O-N 2.89Å; V142-I145 PolarHBondContact O-N 2.93Å; V142-I145 VanDerWaalsContact O-N 3.13Å; V142-Q146 HydrophobicContact CG1-CG 4.46Å; V142-Q146 WeakPolarHBondContact O-CG 3.46Å; V142-Q146 PolarHBondContact O-N 3.25Å; V142-G167 VanDerWaalsContact CG1-C 3.44Å; V142-G167 VanDerWaalsContact CG1-CA 3.45Å; V142-G167 WeakPolarHBondContact CG1-O 3.24Å; V142-A169 HydrophobicContact CG2-CB 4.07Å |
| 143 | K | 84.4 | Confident | 84.3 | Confident | 128 Ų | 128 | 44.3 Ų | 44.3 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -57.2 | -43.5 | 178.1 | -71.6 | -173.4 | 173.5 | -164.5 | 0 | 111.7 | G139 L140 I145 Q146 | G139-K143 PolarHBondContact O-N 3.2Å; L140-K143 WeakPolarHBondContact O-CB 3.26Å; L140-K143 PolarHBondContact O-N 2.99Å; L140-K143 VanDerWaalsContact O-N 3.1Å; K143-I145 PolarHBondContact O-N 2.89Å; K143-Q146 PolarHBondContact O-N 3.37Å |
| 144 | F | 86.7 | Confident | 83.7 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 177.6 | -74 | -70.9 | 0 | 0 | 0 | 113.1 | L28 L102 V108 L111 F128 I132 L140 F141 V142 I147 | L28-F144 HydrophobicContact CD1-CD1 3.88Å; L28-F144 HydrophobicContact CD1-CE1 3.35Å; L28-F144 HydrophobicContact CD1-CZ 4.28Å; L28-F144 HydrophobicContact CD2-CD1 3.4Å; L28-F144 HydrophobicContact CD2-CE1 3.71Å; L28-F144 HydrophobicContact CD2-CG 4.18Å; L28-F144 HydrophobicContact CG-CD1 4.29Å; L28-F144 HydrophobicContact CG-CE1 4.17Å; L102-F144 HydrophobicContact CD2-CZ 4.07Å; V108-F144 HydrophobicContact CG1-CZ 4.27Å; V108-F144 HydrophobicContact CG2-CZ 4.31Å; L111-F144 HydrophobicContact CD2-CD1 4.5Å; L111-F144 HydrophobicContact CD2-CE1 3.48Å; L111-F144 VanDerWaalsContact CD2-CE1 3.48Å; L111-F144 HydrophobicContact CD2-CZ 3.91Å; F128-F144 HydrophobicContact CE1-CB 4.33Å; F128-F144 AromaticContact CE2-CD1 3.81Å; F128-F144 HydrophobicContact CE2-CD1 3.81Å; F128-F144 HydrophobicContact CE2-CE1 4.32Å; F128-F144 HydrophobicContact CZ-CB 4Å; F128-F144 AromaticContact CZ-CD1 3.54Å; F128-F144 HydrophobicContact CZ-CD1 3.54Å; F128-F144 HydrophobicContact CZ-CE1 4.45Å; F128-F144 HydrophobicContact CZ-CG 4.22Å; I132-F144 HydrophobicContact CB-CD2 4.44Å; I132-F144 HydrophobicContact CD1-CB 3.59Å; I132-F144 HydrophobicContact CD1-CG 4.47Å; I132-F144 HydrophobicContact CG2-CB 4.02Å; I132-F144 HydrophobicContact CG2-CD1 4.1Å; I132-F144 HydrophobicContact CG2-CD2 3.77Å; I132-F144 HydrophobicContact CG2-CE2 4.27Å; I132-F144 HydrophobicContact CG2-CG 3.72Å; L140-F144 HydrophobicContact CB-CD2 4.43Å; L140-F144 HydrophobicContact CB-CE2 4.26Å; L140-F144 WeakPolarHBondContact O-CD2 3.44Å; L140-F144 PolarHBondContact O-N 3.16Å; F141-F144 PolarHBondContact O-N 3.06Å; V142-F144 VanDerWaalsContact C-N 3.29Å; V142-F144 PolarHBondContact O-N 2.89Å; F144-I147 WeakPolarHBondContact O-CG1 3.4Å |
| 145 | I | 87.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.3 | -33.2 | 178.1 | -71.3 | 164.8 | 0 | 0 | 0 | 111.8 | I132 F141 V142 K143 I147 L148 F150 L160 A164 | I132-I145 HydrophobicContact CD1-CG1 4.21Å; F141-I145 HydrophobicContact CD1-CD1 3.42Å; F141-I145 VanDerWaalsContact CD1-CD1 3.42Å; F141-I145 HydrophobicContact CD2-CD1 3.98Å; F141-I145 HydrophobicContact CE1-CD1 3.08Å; F141-I145 HydrophobicContact CE1-CG1 4.43Å; F141-I145 HydrophobicContact CE2-CD1 3.68Å; F141-I145 HydrophobicContact CE2-CG1 4.38Å; F141-I145 HydrophobicContact CG-CD1 3.88Å; F141-I145 HydrophobicContact CZ-CD1 3.25Å; F141-I145 HydrophobicContact CZ-CG1 4.35Å; F141-I145 WeakPolarHBondContact O-CG1 3.32Å; F141-I145 PolarHBondContact O-N 3.47Å; V142-I145 PolarHBondContact O-N 2.93Å; V142-I145 VanDerWaalsContact O-N 3.13Å; K143-I145 PolarHBondContact O-N 2.89Å; I145-I147 PolarHBondContact O-N 2.97Å; I145-L148 HydrophobicContact CB-CD1 4.46Å; I145-L148 HydrophobicContact CG1-CD1 4.37Å; I145-L148 HydrophobicContact CG2-CD1 4.3Å; I145-L148 VanDerWaalsContact O-CB 3.28Å; I145-L148 WeakPolarHBondContact O-CB 3.44Å; I145-L148 PolarHBondContact O-N 3.3Å; I145-F150 HydrophobicContact CG2-CZ 3.8Å; I145-L160 HydrophobicContact CD1-CD2 3.76Å; I145-L160 HydrophobicContact CG2-CB 4.16Å; I145-A164 HydrophobicContact CG2-CB 3.52Å |
| 146 | Q | 86.2 | Confident | 82.5 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.3 | -26.8 | 179.5 | -76.5 | 173.6 | -21.8 | 0 | 0 | 113 | V142 K143 L148 A164 | V142-Q146 HydrophobicContact CG1-CG 4.46Å; V142-Q146 WeakPolarHBondContact O-CG 3.46Å; V142-Q146 PolarHBondContact O-N 3.25Å; K143-Q146 PolarHBondContact O-N 3.37Å; Q146-L148 VanDerWaalsContact C-N 3.34Å; Q146-A164 HydrophobicContact CG-CB 4.48Å; Q146-A164 WeakPolarHBondContact CG-O 3.27Å; Q146-A164 PolarHBondContact NE2-O 3.15Å; Q146-A164 VanDerWaalsContact NE2-O 3.13Å |
| 147 | I | 85.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.5 | 175.4 | 67 | 156.6 | 0 | 0 | 0 | 113.3 | K26 L28 V115 H121 F128 F144 I145 | K26-I147 HydrophobicContact CB-CB 4.41Å; K26-I147 HydrophobicContact CB-CG2 4.49Å; K26-I147 HydrophobicContact CD-CB 4.17Å; K26-I147 WeakPolarHBondContact CD-O 3.33Å; K26-I147 PolarHBondContact NZ-O 3.24Å; L28-I147 HydrophobicContact CD2-CD1 3.64Å; L28-I147 HydrophobicContact CD2-CG1 4.08Å; L28-I147 HydrophobicContact CD2-CG2 4.09Å; L28-I147 HydrophobicContact CG-CD1 4.1Å; V115-I147 HydrophobicContact CB-CD1 4.44Å; V115-I147 HydrophobicContact CG1-CD1 3.63Å; V115-I147 HydrophobicContact CG2-CD1 3.86Å; H121-I147 HydrophobicContact CB-CD1 3.67Å; H121-I147 HydrophobicContact CB-CG1 4.03Å; H121-I147 PolarHBondContact CD2-O 3.17Å; F128-I147 HydrophobicContact CE1-CD1 4.29Å; F128-I147 HydrophobicContact CE1-CG1 4.33Å; F128-I147 HydrophobicContact CZ-CD1 3.77Å; F128-I147 HydrophobicContact CZ-CG1 4.18Å; F144-I147 WeakPolarHBondContact O-CG1 3.4Å; I145-I147 PolarHBondContact O-N 2.97Å |
| 148 | L | 84.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -61 | 145.1 | 179 | -66.6 | 174.5 | 0 | 0 | 0 | 112 | K26 H121 V125 F128 I129 I145 Q146 F150 L153 L160 | K26-L148 PolarHBondContact NZ-O 2.89Å; H121-L148 HydrophobicContact CB-CD2 4.28Å; V125-L148 HydrophobicContact CG1-CD2 4.28Å; F128-L148 HydrophobicContact CD1-CD2 3.83Å; F128-L148 HydrophobicContact CE1-CD2 3.94Å; F128-L148 HydrophobicContact CE1-CG 4.43Å; I129-L148 HydrophobicContact CD1-CD1 4.31Å; I129-L148 HydrophobicContact CG1-CD1 4.31Å; I145-L148 HydrophobicContact CB-CD1 4.46Å; I145-L148 HydrophobicContact CG1-CD1 4.37Å; I145-L148 HydrophobicContact CG2-CD1 4.3Å; I145-L148 VanDerWaalsContact O-CB 3.28Å; I145-L148 WeakPolarHBondContact O-CB 3.44Å; I145-L148 PolarHBondContact O-N 3.3Å; Q146-L148 VanDerWaalsContact C-N 3.34Å; L148-F150 HydrophobicContact CB-CE2 4.47Å; L148-F150 HydrophobicContact CB-CZ 4.24Å; L148-L153 HydrophobicContact CB-CD1 4.14Å; L148-L153 HydrophobicContact CD1-CD1 4.18Å; L148-L153 HydrophobicContact CD2-CD1 4.26Å; L148-L153 HydrophobicContact CG-CD1 4.44Å; L148-L160 HydrophobicContact CD1-CD1 4.47Å |
| 149 | N | 80.5 | Confident | 82.2 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | trans | -92.4 | 99.3 | 173.1 | -173.1 | -6.2 | 0 | 0 | 0 | 110.6 | Q151 Q152 L153 | N149-Q151 PolarHBondContact O-N 3.32Å; N149-Q151 VanDerWaalsContact O-N 3.12Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.32Å; N149-Q151 PolarHBondContact OD1-N 3.47Å; N149-Q151 VanDerWaalsContact OD1-N 3.08Å; N149-Q152 PolarHBondContact ND2-OE1 3.34Å; N149-Q152 PolarHBondContact O-N 2.98Å; N149-Q152 VanDerWaalsContact O-N 3.14Å; N149-L153 PolarHBondContact O-N 3.29Å; N149-L153 VanDerWaalsContact O-N 3.1Å | ||
| 150 | F | 79.4 | Confident | 82.4 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -11.2 | -179.1 | -65.5 | -74.7 | 0 | 0 | 0 | 115.1 | I145 L148 L153 L160 K161 A164 | I145-F150 HydrophobicContact CG2-CZ 3.8Å; L148-F150 HydrophobicContact CB-CE2 4.47Å; L148-F150 HydrophobicContact CB-CZ 4.24Å; F150-L153 HydrophobicContact CD1-CD2 3.87Å; F150-L153 HydrophobicContact CE1-CD2 3.99Å; F150-L160 HydrophobicContact CE1-CB 4.23Å; F150-K161 HydrophobicContact CB-CD 4.22Å; F150-K161 HydrophobicContact CB-CG 4.4Å; F150-K161 HydrophobicContact CD1-CB 3.57Å; F150-K161 HydrophobicContact CD1-CG 3.98Å; F150-K161 HydrophobicContact CD2-CG 4.34Å; F150-K161 VanDerWaalsContact CE1-CA 3.41Å; F150-K161 HydrophobicContact CE1-CB 3.79Å; F150-K161 HydrophobicContact CE1-CG 4.43Å; F150-K161 HydrophobicContact CG-CB 4.08Å; F150-K161 HydrophobicContact CG-CD 4.31Å; F150-K161 HydrophobicContact CG-CG 3.95Å; F150-K161 HydrophobicContact CZ-CB 4.46Å; F150-A164 HydrophobicContact CE1-CB 4.44Å; F150-A164 HydrophobicContact CE2-CB 3.46Å; F150-A164 VanDerWaalsContact CE2-CB 3.46Å; F150-A164 HydrophobicContact CZ-CB 3.33Å |
| 151 | Q | 77.1 | Confident | 82.5 | Confident | 182 Ų | 182 | 50.1 Ų | 50.1 | 85% | 0.85 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -29.6 | 173.7 | -63.8 | -177.8 | -6.4 | 0 | 0 | 112.6 | N149 | N149-Q151 PolarHBondContact O-N 3.32Å; N149-Q151 VanDerWaalsContact O-N 3.12Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.32Å; N149-Q151 PolarHBondContact OD1-N 3.47Å; N149-Q151 VanDerWaalsContact OD1-N 3.08Å |
| 152 | Q | 73.4 | Confident | 82.3 | Confident | 128 Ų | 128 | 53.5 Ų | 53.5 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -2.4 | -177.3 | -67.1 | 175 | -13.8 | 0 | 0 | 112.6 | N149 | N149-Q152 PolarHBondContact ND2-OE1 3.34Å; N149-Q152 PolarHBondContact O-N 2.98Å; N149-Q152 VanDerWaalsContact O-N 3.14Å |
| 153 | L | 77.9 | Confident | 82.2 | Confident | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -67.2 | 137 | -177.6 | -151.2 | 80.4 | 0 | 0 | 0 | 110.9 | V125 L148 N149 F150 F157 | V125-L153 HydrophobicContact CG1-CD1 3.45Å; V125-L153 VanDerWaalsContact CG1-CD1 3.45Å; V125-L153 HydrophobicContact CG1-CG 4.34Å; V125-L153 HydrophobicContact CG2-CD1 4.32Å; L148-L153 HydrophobicContact CB-CD1 4.14Å; L148-L153 HydrophobicContact CD1-CD1 4.18Å; L148-L153 HydrophobicContact CD2-CD1 4.26Å; L148-L153 HydrophobicContact CG-CD1 4.44Å; N149-L153 PolarHBondContact O-N 3.29Å; N149-L153 VanDerWaalsContact O-N 3.1Å; F150-L153 HydrophobicContact CD1-CD2 3.87Å; F150-L153 HydrophobicContact CE1-CD2 3.99Å; L153-F157 HydrophobicContact CD2-CB 3.58Å; L153-F157 VanDerWaalsContact CD2-O 3.28Å; L153-F157 WeakPolarHBondContact CD2-O 3.27Å; L153-F157 HydrophobicContact CG-CB 4.02Å |
| 154 | P | 77.7 | Confident | 82.2 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | trans | -55.6 | 145.8 | 172.6 | -25.4 | 33.6 | 0 | 0 | 0 | 111.9 | S156 F157 | P154-S156 WeakPolarHBondContact CB-OG 3.45Å; P154-S156 PolarHBondContact O-N 3.47Å; P154-F157 HydrophobicContact CB-CD2 4.3Å; P154-F157 HydrophobicContact CG-CD2 4.44Å; P154-F157 PolarHBondContact O-N 3.37Å | ||
| 155 | P | 75.3 | Confident | 82.1 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 73% | 0.734 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -58.4 | -24.4 | -178.7 | 22.7 | -32.9 | 0 | 0 | 0 | 112.9 | F157 Q158 | P155-F157 PolarHBondContact O-N 2.96Å; P155-Q158 PolarHBondContact O-N 3.26Å |
| 156 | S | 76.9 | Confident | 82 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -62.3 | -21.9 | 175.4 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | P154 W159 | P154-S156 WeakPolarHBondContact CB-OG 3.45Å; P154-S156 PolarHBondContact O-N 3.47Å; S156-W159 PolarHBondContact O-NE1 2.94Å |
| 157 | F | 85 | Confident | 81.7 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.022 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -117.2 | 3.4 | -177.4 | -61.8 | -70 | 0 | 0 | 0 | 113.6 | E126 I129 L153 P154 P155 W159 L160 F188 | E126-F157 HydrophobicContact CG-CE2 3.86Å; E126-F157 HydrophobicContact CG-CZ 4.46Å; I129-F157 HydrophobicContact CD1-CB 3.92Å; I129-F157 HydrophobicContact CD1-CD1 3.51Å; I129-F157 HydrophobicContact CD1-CD2 3.98Å; I129-F157 HydrophobicContact CD1-CE1 3.97Å; I129-F157 HydrophobicContact CD1-CE2 4.4Å; I129-F157 HydrophobicContact CD1-CG 3.51Å; I129-F157 HydrophobicContact CD1-CZ 4.39Å; I129-F157 HydrophobicContact CG2-CD1 4.27Å; I129-F157 HydrophobicContact CG2-CE1 4.01Å; L153-F157 HydrophobicContact CD2-CB 3.58Å; L153-F157 VanDerWaalsContact CD2-O 3.28Å; L153-F157 WeakPolarHBondContact CD2-O 3.27Å; L153-F157 HydrophobicContact CG-CB 4.02Å; P154-F157 HydrophobicContact CB-CD2 4.3Å; P154-F157 HydrophobicContact CG-CD2 4.44Å; P154-F157 PolarHBondContact O-N 3.37Å; P155-F157 PolarHBondContact O-N 2.96Å; F157-W159 PolarHBondContact O-N 3.34Å; F157-W159 VanDerWaalsContact O-N 3.1Å; F157-L160 HydrophobicContact CB-CD1 4.26Å; F157-L160 HydrophobicContact CD1-CD1 4.42Å; F157-L160 WeakPolarHBondContact O-CB 3.31Å; F157-L160 PolarHBondContact O-N 3.01Å; F157-F188 HydrophobicContact CE1-CD1 4.29Å; F157-F188 HydrophobicContact CE1-CD2 4.18Å; F157-F188 HydrophobicContact CE1-CE1 4.21Å; F157-F188 HydrophobicContact CE1-CE2 4.09Å; F157-F188 HydrophobicContact CE1-CG 4.26Å; F157-F188 HydrophobicContact CE1-CZ 4.09Å; F157-F188 AromaticContact CZ-CD2 3.7Å; F157-F188 HydrophobicContact CZ-CD2 3.7Å; F157-F188 AromaticContact CZ-CE2 3.58Å; F157-F188 HydrophobicContact CZ-CE2 3.58Å; F157-F188 HydrophobicContact CZ-CG 4.22Å; F157-F188 HydrophobicContact CZ-CZ 4Å |
| 158 | Q | 83.2 | Confident | 81.6 | Confident | 112 Ų | 112 | 62.4 Ų | 62.4 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -62.3 | -23.1 | -177.8 | -161.1 | 172 | 16.5 | 0 | 0 | 112.8 | P155 L160 K161 | P155-Q158 PolarHBondContact O-N 3.26Å; Q158-L160 PolarHBondContact O-N 3.38Å; Q158-L160 VanDerWaalsContact O-N 3.16Å; Q158-K161 WeakPolarHBondContact O-CB 3.5Å; Q158-K161 PolarHBondContact O-N 3.07Å; Q158-K161 VanDerWaalsContact O-N 3.15Å |
| 159 | W | 85 | Confident | 81.6 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -62.4 | -14.6 | 173.3 | 67.3 | -94.4 | 0 | 0 | 0 | 113.9 | S156 F157 K161 P162 Y163 I170 F175 L178 E182 L185 | S156-W159 PolarHBondContact O-NE1 2.94Å; F157-W159 PolarHBondContact O-N 3.34Å; F157-W159 VanDerWaalsContact O-N 3.1Å; W159-K161 VanDerWaalsContact C-N 3.35Å; W159-P162 VanDerWaalsContact O-CD 3.29Å; W159-P162 WeakPolarHBondContact O-CD 3.37Å; W159-Y163 HydrophobicContact CE3-CD2 4.38Å; W159-Y163 HydrophobicContact CE3-CE2 4.15Å; W159-Y163 HydrophobicContact CZ3-CD2 4.47Å; W159-Y163 HydrophobicContact CZ3-CE2 4.36Å; W159-I170 HydrophobicContact CH2-CD1 4.45Å; W159-I170 HydrophobicContact CZ3-CD1 3.86Å; W159-F175 HydrophobicContact CH2-CE2 4.29Å; W159-L178 HydrophobicContact CE3-CD1 3.92Å; W159-L178 HydrophobicContact CE3-CD2 4.49Å; W159-L178 HydrophobicContact CZ3-CD1 3.63Å; W159-E182 HydrophobicContact CB-CG 4.22Å; W159-E182 HydrophobicContact CD2-CG 4.45Å; W159-E182 HydrophobicContact CG-CG 3.96Å; W159-L185 HydrophobicContact CD2-CD1 4.48Å; W159-L185 HydrophobicContact CH2-CD1 4.19Å; W159-L185 HydrophobicContact CH2-CD2 4.1Å; W159-L185 HydrophobicContact CZ2-CD1 3.82Å; W159-L185 HydrophobicContact CZ2-CD2 3.26Å; W159-L185 HydrophobicContact CZ2-CG 4.01Å |
| 160 | L | 87 | Confident | 81.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -75.6 | -21.1 | 174.9 | -71.4 | 172.8 | 0 | 0 | 0 | 113.4 | I129 F141 I145 L148 F150 F157 Q158 Y163 A164 I170 | I129-L160 HydrophobicContact CD1-CD1 3.85Å; I129-L160 HydrophobicContact CG1-CD1 4.38Å; F141-L160 HydrophobicContact CE1-CD2 4.46Å; F141-L160 HydrophobicContact CZ-CD2 4.09Å; I145-L160 HydrophobicContact CD1-CD2 3.76Å; I145-L160 HydrophobicContact CG2-CB 4.16Å; L148-L160 HydrophobicContact CD1-CD1 4.47Å; F150-L160 HydrophobicContact CE1-CB 4.23Å; F157-L160 HydrophobicContact CB-CD1 4.26Å; F157-L160 HydrophobicContact CD1-CD1 4.42Å; F157-L160 WeakPolarHBondContact O-CB 3.31Å; F157-L160 PolarHBondContact O-N 3.01Å; Q158-L160 PolarHBondContact O-N 3.38Å; Q158-L160 VanDerWaalsContact O-N 3.16Å; L160-Y163 PolarHBondContact O-N 3.14Å; L160-A164 PolarHBondContact O-N 3.41Å; L160-A164 VanDerWaalsContact O-N 3.07Å; L160-I170 HydrophobicContact CD2-CD1 4.49Å |
| 161 | K | 84.5 | Confident | 82.3 | Confident | 85 Ų | 85 | 64 Ų | 64 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.9 | -47 | -175.6 | -175.6 | 177.7 | 174.5 | 179.2 | 0 | 113.9 | F150 Q158 W159 Y163 A164 E165 | F150-K161 HydrophobicContact CB-CD 4.22Å; F150-K161 HydrophobicContact CB-CG 4.4Å; F150-K161 HydrophobicContact CD1-CB 3.57Å; F150-K161 HydrophobicContact CD1-CG 3.98Å; F150-K161 HydrophobicContact CD2-CG 4.34Å; F150-K161 VanDerWaalsContact CE1-CA 3.41Å; F150-K161 HydrophobicContact CE1-CB 3.79Å; F150-K161 HydrophobicContact CE1-CG 4.43Å; F150-K161 HydrophobicContact CG-CB 4.08Å; F150-K161 HydrophobicContact CG-CD 4.31Å; F150-K161 HydrophobicContact CG-CG 3.95Å; F150-K161 HydrophobicContact CZ-CB 4.46Å; Q158-K161 WeakPolarHBondContact O-CB 3.5Å; Q158-K161 PolarHBondContact O-N 3.07Å; Q158-K161 VanDerWaalsContact O-N 3.15Å; W159-K161 VanDerWaalsContact C-N 3.35Å; K161-Y163 VanDerWaalsContact C-N 3.26Å; K161-Y163 PolarHBondContact O-N 2.65Å; K161-A164 WeakPolarHBondContact O-CB 3.47Å; K161-A164 PolarHBondContact O-N 3.35Å; K161-E165 WeakPolarHBondContact CE-OE1 3.43Å; K161-E165 IonicContact NZ-OE1 2.75Å; K161-E165 WeakPolarHBondContact O-CG 3.1Å; K161-E165 PolarHBondContact O-N 3.18Å |
| 162 | P | 84.4 | Confident | 82.7 | Confident | 74 Ų | 74 | 61 Ų | 61 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -29.8 | 178.7 | -20.8 | 34.3 | 0 | 0 | 0 | 113.5 | W159 S166 | W159-P162 VanDerWaalsContact O-CD 3.29Å; W159-P162 WeakPolarHBondContact O-CD 3.37Å; P162-S166 VanDerWaalsContact O-CB 3.23Å; P162-S166 WeakPolarHBondContact O-CB 3.3Å; P162-S166 PolarHBondContact O-N 3.42Å; P162-S166 PolarHBondContact O-OG 2.64Å |
| 163 | Y | 85.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.6 | -32.6 | 179.1 | -60.3 | -74.5 | 0 | 0 | 0 | 111.8 | W159 L160 K161 S166 G167 I170 L178 | W159-Y163 HydrophobicContact CE3-CD2 4.38Å; W159-Y163 HydrophobicContact CE3-CE2 4.15Å; W159-Y163 HydrophobicContact CZ3-CD2 4.47Å; W159-Y163 HydrophobicContact CZ3-CE2 4.36Å; L160-Y163 PolarHBondContact O-N 3.14Å; K161-Y163 VanDerWaalsContact C-N 3.26Å; K161-Y163 PolarHBondContact O-N 2.65Å; Y163-S166 WeakPolarHBondContact CA-OG 3.27Å; Y163-S166 PolarHBondContact O-OG 3.04Å; Y163-G167 PolarHBondContact O-N 3.39Å; Y163-I170 HydrophobicContact CD1-CD1 4.12Å; Y163-I170 HydrophobicContact CD1-CG1 3.74Å; Y163-I170 HydrophobicContact CD2-CD1 3.87Å; Y163-I170 HydrophobicContact CD2-CG1 4.4Å; Y163-I170 HydrophobicContact CE1-CD1 4.39Å; Y163-I170 HydrophobicContact CE1-CG1 4.07Å; Y163-I170 HydrophobicContact CE2-CD1 4.16Å; Y163-I170 HydrophobicContact CG-CD1 3.86Å; Y163-I170 HydrophobicContact CG-CG1 3.92Å; Y163-L178 HydrophobicContact CE2-CD1 3.87Å |
| 164 | A | 83.6 | Confident | 83.4 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I145 Q146 F150 L160 K161 G167 | I145-A164 HydrophobicContact CG2-CB 3.52Å; Q146-A164 HydrophobicContact CG-CB 4.48Å; Q146-A164 WeakPolarHBondContact CG-O 3.27Å; Q146-A164 PolarHBondContact NE2-O 3.15Å; Q146-A164 VanDerWaalsContact NE2-O 3.13Å; F150-A164 HydrophobicContact CE1-CB 4.44Å; F150-A164 HydrophobicContact CE2-CB 3.46Å; F150-A164 VanDerWaalsContact CE2-CB 3.46Å; F150-A164 HydrophobicContact CZ-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.41Å; L160-A164 VanDerWaalsContact O-N 3.07Å; K161-A164 WeakPolarHBondContact O-CB 3.47Å; K161-A164 PolarHBondContact O-N 3.35Å; A164-G167 PolarHBondContact O-N 2.93Å |
| 165 | E | 85.2 | Confident | 83.9 | Confident | 140 Ų | 140 | 62.5 Ų | 62.5 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69 | -39.1 | -176.8 | -70.4 | 173.2 | 174.7 | 0 | 0 | 112 | K161 G167 | K161-E165 WeakPolarHBondContact CE-OE1 3.43Å; K161-E165 IonicContact NZ-OE1 2.75Å; K161-E165 WeakPolarHBondContact O-CG 3.1Å; K161-E165 PolarHBondContact O-N 3.18Å; E165-G167 VanDerWaalsContact C-N 3.33Å |
| 166 | S | 84.1 | Confident | 84.4 | Confident | 61 Ų | 61 | 57.2 Ų | 57.2 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.9 | -17.4 | 179 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | P162 Y163 K168 | P162-S166 VanDerWaalsContact O-CB 3.23Å; P162-S166 WeakPolarHBondContact O-CB 3.3Å; P162-S166 PolarHBondContact O-N 3.42Å; P162-S166 PolarHBondContact O-OG 2.64Å; Y163-S166 WeakPolarHBondContact CA-OG 3.27Å; Y163-S166 PolarHBondContact O-OG 3.04Å; S166-K168 PolarHBondContact O-N 3.5Å |
| 167 | G | 80.5 | Confident | 84.8 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 13.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V142 Y163 A164 E165 | V142-G167 VanDerWaalsContact CG1-C 3.44Å; V142-G167 VanDerWaalsContact CG1-CA 3.45Å; V142-G167 WeakPolarHBondContact CG1-O 3.24Å; Y163-G167 PolarHBondContact O-N 3.39Å; A164-G167 PolarHBondContact O-N 2.93Å; E165-G167 VanDerWaalsContact C-N 3.33Å |
| 168 | K | 83.6 | Confident | 84.8 | Confident | 149 Ų | 149 | 62.4 Ų | 62.4 | 65% | 0.648 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -101.4 | 131.5 | -174.5 | -69.7 | 179.3 | -176 | 178.1 | 0 | 111.4 | S166 | S166-K168 PolarHBondContact O-N 3.5Š|
| 169 | A | 85.3 | Confident | 84.8 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 151.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E137 V142 | E137-A169 WeakPolarHBondContact O-CB 3.41Å; V142-A169 HydrophobicContact CG2-CB 4.07Å |
| 170 | I | 86.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 116.8 | -176 | -50 | -175.6 | 0 | 0 | 0 | 108.6 | H136 E137 F141 W159 L160 Y163 E174 F175 L178 | H136-I170 PolarHBondContact CD2-O 3.46Å; H136-I170 VanDerWaalsContact CD2-O 3.25Å; H136-I170 PolarHBondContact O-N 3.31Å; E137-I170 WeakPolarHBondContact CA-O 3.34Å; F141-I170 HydrophobicContact CE1-CD1 3.68Å; F141-I170 HydrophobicContact CE1-CG1 4.01Å; F141-I170 HydrophobicContact CZ-CD1 4.35Å; W159-I170 HydrophobicContact CH2-CD1 4.45Å; W159-I170 HydrophobicContact CZ3-CD1 3.86Å; L160-I170 HydrophobicContact CD2-CD1 4.49Å; Y163-I170 HydrophobicContact CD1-CD1 4.12Å; Y163-I170 HydrophobicContact CD1-CG1 3.74Å; Y163-I170 HydrophobicContact CD2-CD1 3.87Å; Y163-I170 HydrophobicContact CD2-CG1 4.4Å; Y163-I170 HydrophobicContact CE1-CD1 4.39Å; Y163-I170 HydrophobicContact CE1-CG1 4.07Å; Y163-I170 HydrophobicContact CE2-CD1 4.16Å; Y163-I170 HydrophobicContact CG-CD1 3.86Å; Y163-I170 HydrophobicContact CG-CG1 3.92Å; I170-E174 HydrophobicContact CG2-CB 4.28Å; I170-E174 HydrophobicContact CG2-CG 4.49Å; I170-F175 HydrophobicContact CG2-CB 3.84Å; I170-F175 HydrophobicContact CG2-CD2 4.12Å; I170-L178 HydrophobicContact CD1-CD1 4.31Å; I170-L178 HydrophobicContact CG2-CD1 4.09Å |
| 171 | S | 87.7 | Confident | 84.5 | Confident | 62 Ų | 62 | 65 Ų | 65 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 148.7 | 174.2 | 74.7 | 0 | 0 | 0 | 0 | 111.5 | K173 E174 F175 | S171-K173 VanDerWaalsContact C-N 3.27Å; S171-K173 PolarHBondContact O-N 3.16Å; S171-E174 PolarHBondContact O-N 3.36Å; S171-E174 WeakPolarHBondContact OG-CB 3.11Å; S171-E174 PolarHBondContact OG-N 3.25Å; S171-F175 PolarHBondContact O-N 3.23Å |
| 172 | R | 84.1 | Confident | 84.5 | Confident | 118 Ų | 118 | 63.2 Ų | 63.2 | 45% | 0.445 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53.3 | -38.4 | 178.1 | -171.7 | -179.8 | -49.8 | -178.1 | 3.6 | 114.8 | E137 A176 A221 | E137-R172 WeakPolarHBondContact OE1-CB 3.15Å; E137-R172 PolarHBondContact OE1-N 3.15Å; E137-R172 IonicContact OE1-NE 2.71Å; E137-R172 IonicContact OE2-CZ 3.2Å; E137-R172 IonicContact OE2-NE 3.96Å; E137-R172 IonicContact OE2-NH2 3.48Å; E137-R172 PolarHBondContact OE2-NH2 2.94Å; R172-A176 WeakPolarHBondContact O-CB 3.35Å; R172-A176 PolarHBondContact O-N 3.39Å; R172-A221 HydrophobicContact CG-CB 3.82Å |
| 173 | K | 82.1 | Confident | 84.3 | Confident | 161 Ų | 161 | 67.7 Ų | 67.7 | 70% | 0.7 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 176.9 | -72.4 | -175.2 | 179.8 | 178.9 | 0 | 111.6 | S171 R177 | S171-K173 VanDerWaalsContact C-N 3.27Å; S171-K173 PolarHBondContact O-N 3.16Å; K173-R177 WeakPolarHBondContact O-CG 3.43Å; K173-R177 PolarHBondContact O-N 3Å |
| 174 | E | 85.7 | Confident | 84.1 | Confident | 56 Ų | 56 | 68.9 Ų | 68.9 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 177.6 | -168.2 | 58.6 | -158.8 | 0 | 0 | 111.2 | I170 S171 A176 R177 L178 | I170-E174 HydrophobicContact CG2-CB 4.28Å; I170-E174 HydrophobicContact CG2-CG 4.49Å; S171-E174 PolarHBondContact O-N 3.36Å; S171-E174 WeakPolarHBondContact OG-CB 3.11Å; S171-E174 PolarHBondContact OG-N 3.25Å; E174-A176 VanDerWaalsContact C-N 3.29Å; E174-A176 PolarHBondContact O-N 2.86Å; E174-R177 WeakPolarHBondContact O-CA 3.44Å; E174-R177 WeakPolarHBondContact O-CB 3.44Å; E174-R177 PolarHBondContact O-N 3.49Å; E174-R177 WeakPolarHBondContact OE2-CD 3.5Å; E174-R177 IonicContact OE2-CZ 2.72Å; E174-R177 IonicContact OE2-NH1 3.96Å; E174-R177 PolarHBondContact OE2-NH1 3.47Å; E174-L178 WeakPolarHBondContact O-CG 3.31Å; E174-L178 PolarHBondContact O-N 3.36Å |
| 175 | F | 87.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 173.9 | -167.2 | -90.5 | 0 | 0 | 0 | 111.9 | I133 H136 W159 I170 S171 R177 L178 C179 I189 F214 I218 | I133-F175 HydrophobicContact CD1-CE2 4.31Å; I133-F175 HydrophobicContact CD1-CZ 3.89Å; I133-F175 HydrophobicContact CG1-CE2 4.25Å; I133-F175 HydrophobicContact CG1-CZ 4.08Å; H136-F175 HydrophobicContact CB-CD2 4.31Å; H136-F175 HydrophobicContact CB-CE2 4.48Å; H136-F175 AromaticContact CD2-CD2 3.9Å; H136-F175 AromaticContact CD2-CG 3.83Å; W159-F175 HydrophobicContact CH2-CE2 4.29Å; I170-F175 HydrophobicContact CG2-CB 3.84Å; I170-F175 HydrophobicContact CG2-CD2 4.12Å; S171-F175 PolarHBondContact O-N 3.23Å; F175-R177 VanDerWaalsContact C-N 3.35Å; F175-R177 PolarHBondContact O-N 3.28Å; F175-L178 WeakPolarHBondContact O-CB 3.44Å; F175-L178 PolarHBondContact O-N 3.32Å; F175-C179 VanDerWaalsContact CE1-SG 3.5Å; F175-C179 PolarHBondContact O-N 3.45Å; F175-C179 PolarHBondContact O-SG 3.43Å; F175-I189 HydrophobicContact CE1-CD1 4.14Å; F175-I189 HydrophobicContact CZ-CD1 4.47Å; F175-F214 HydrophobicContact CE1-CE2 4.05Å; F175-F214 AromaticContact CE1-CZ 3.95Å; F175-F214 HydrophobicContact CE1-CZ 3.95Å; F175-F214 HydrophobicContact CZ-CE2 4.22Å; F175-F214 AromaticContact CZ-CZ 3.92Å; F175-F214 HydrophobicContact CZ-CZ 3.92Å; F175-I218 HydrophobicContact CD1-CD1 4.48Å; F175-I218 HydrophobicContact CD1-CG1 4.11Å; F175-I218 HydrophobicContact CE1-CD1 3.84Å; F175-I218 HydrophobicContact CE1-CG1 3.95Å |
| 176 | A | 85.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R172 E174 C179 I180 A221 L222 | R172-A176 WeakPolarHBondContact O-CB 3.35Å; R172-A176 PolarHBondContact O-N 3.39Å; E174-A176 VanDerWaalsContact C-N 3.29Å; E174-A176 PolarHBondContact O-N 2.86Å; A176-C179 WeakPolarHBondContact O-CB 3.26Å; A176-C179 PolarHBondContact O-N 2.85Å; A176-I180 WeakPolarHBondContact O-CD1 3.29Å; A176-I180 WeakPolarHBondContact O-CG1 3.06Å; A176-I180 PolarHBondContact O-N 3.18Å; A176-A221 HydrophobicContact CB-CB 3.97Å; A176-L222 HydrophobicContact CB-CD2 4.24Å; A176-L222 WeakPolarHBondContact O-CD2 3.03Å |
| 177 | R | 85.4 | Confident | 84.4 | Confident | 143 Ų | 143 | 62.5 Ų | 62.5 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 173.5 | -69.5 | 177.1 | -171.7 | 142.6 | -4.5 | 112.2 | K173 E174 F175 C179 I180 R181 | K173-R177 WeakPolarHBondContact O-CG 3.43Å; K173-R177 PolarHBondContact O-N 3Å; E174-R177 WeakPolarHBondContact O-CA 3.44Å; E174-R177 WeakPolarHBondContact O-CB 3.44Å; E174-R177 PolarHBondContact O-N 3.49Å; E174-R177 WeakPolarHBondContact OE2-CD 3.5Å; E174-R177 IonicContact OE2-CZ 2.72Å; E174-R177 IonicContact OE2-NH1 3.96Å; E174-R177 PolarHBondContact OE2-NH1 3.47Å; F175-R177 VanDerWaalsContact C-N 3.35Å; F175-R177 PolarHBondContact O-N 3.28Å; R177-C179 VanDerWaalsContact C-N 3.35Å; R177-I180 WeakPolarHBondContact O-CB 3.24Å; R177-I180 PolarHBondContact O-N 3.43Å; R177-I180 VanDerWaalsContact O-N 3.14Å; R177-R181 PolarHBondContact O-N 2.96Å; R177-R181 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 84.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.4 | -67.6 | 171.5 | 0 | 0 | 0 | 111.4 | W159 Y163 I170 E174 F175 I180 R181 E182 L185 | W159-L178 HydrophobicContact CE3-CD1 3.92Å; W159-L178 HydrophobicContact CE3-CD2 4.49Å; W159-L178 HydrophobicContact CZ3-CD1 3.63Å; Y163-L178 HydrophobicContact CE2-CD1 3.87Å; I170-L178 HydrophobicContact CD1-CD1 4.31Å; I170-L178 HydrophobicContact CG2-CD1 4.09Å; E174-L178 WeakPolarHBondContact O-CG 3.31Å; E174-L178 PolarHBondContact O-N 3.36Å; F175-L178 WeakPolarHBondContact O-CB 3.44Å; F175-L178 PolarHBondContact O-N 3.32Å; L178-I180 PolarHBondContact O-N 3.19Å; L178-R181 PolarHBondContact O-N 2.98Å; L178-E182 PolarHBondContact O-N 3.19Å; L178-L185 HydrophobicContact CB-CD1 4.08Å |
| 179 | C | 83.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -28.2 | 174.2 | -67.7 | 0 | 0 | 0 | 0 | 113 | F175 A176 R177 I186 L222 | F175-C179 VanDerWaalsContact CE1-SG 3.5Å; F175-C179 PolarHBondContact O-N 3.45Å; F175-C179 PolarHBondContact O-SG 3.43Å; A176-C179 WeakPolarHBondContact O-CB 3.26Å; A176-C179 PolarHBondContact O-N 2.85Å; R177-C179 VanDerWaalsContact C-N 3.35Å; C179-I186 HydrophobicContact CB-CD1 4.5Å; C179-I186 HydrophobicContact CB-CG1 4.2Å; C179-I186 WeakPolarHBondContact O-CD1 3.14Å; C179-L222 HydrophobicContact CB-CD2 4.06Å |
| 180 | I | 82.3 | Confident | 85 | Confident | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -80.8 | -30.4 | 175.9 | -61.3 | 157 | 0 | 0 | 0 | 111.5 | A176 R177 L178 L222 V227 K231 | A176-I180 WeakPolarHBondContact O-CD1 3.29Å; A176-I180 WeakPolarHBondContact O-CG1 3.06Å; A176-I180 PolarHBondContact O-N 3.18Å; R177-I180 WeakPolarHBondContact O-CB 3.24Å; R177-I180 PolarHBondContact O-N 3.43Å; R177-I180 VanDerWaalsContact O-N 3.14Å; L178-I180 PolarHBondContact O-N 3.19Å; I180-L222 HydrophobicContact CD1-CD2 4.21Å; I180-L222 HydrophobicContact CG1-CD2 3.85Å; I180-V227 HydrophobicContact CD1-CB 4.45Å; I180-V227 HydrophobicContact CD1-CG1 4.44Å; I180-V227 HydrophobicContact CD1-CG2 3.26Å; I180-V227 HydrophobicContact CG1-CG2 3.96Å; I180-K231 HydrophobicContact CG2-CD 4.39Å |
| 181 | R | 83.2 | Confident | 85 | Confident | 141 Ų | 141 | 56 Ų | 56 | 53% | 0.532 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -84.1 | -45.8 | -176.7 | -166.3 | -178.1 | 76 | -163.1 | 2.2 | 112.2 | R177 L178 | R177-R181 PolarHBondContact O-N 2.96Å; R177-R181 VanDerWaalsContact O-N 3.09Å; L178-R181 PolarHBondContact O-N 2.98Å |
| 182 | E | 84.8 | Confident | 85 | Confident | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | trans | -94.8 | 107.4 | -176.5 | -52.9 | -58.7 | 153.2 | 0 | 0 | 110.2 | W159 L178 T184 L185 | W159-E182 HydrophobicContact CB-CG 4.22Å; W159-E182 HydrophobicContact CD2-CG 4.45Å; W159-E182 HydrophobicContact CG-CG 3.96Å; L178-E182 PolarHBondContact O-N 3.19Å; E182-T184 PolarHBondContact O-N 3.3Å; E182-T184 VanDerWaalsContact O-N 3.14Å; E182-L185 HydrophobicContact CB-CB 4.43Å; E182-L185 HydrophobicContact CB-CD1 3.76Å; E182-L185 HydrophobicContact CB-CG 3.92Å; E182-L185 HydrophobicContact CG-CD1 4.03Å; E182-L185 PolarHBondContact O-N 3.29Å | ||
| 183 | H | 79.3 | Confident | 85.1 | Confident | 168 Ų | 168 | 47.4 Ų | 47.4 | 78% | 0.778 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.7 | -176.3 | -63.9 | -61.6 | 0 | 0 | 0 | 114.2 | P187 | H183-P187 VanDerWaalsContact O-CD 3.23Å; H183-P187 WeakPolarHBondContact O-CD 3.48Å |
| 184 | T | 80.8 | Confident | 85.3 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 39% | 0.393 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -21.6 | -179.2 | 52 | 0 | 0 | 0 | 0 | 113.5 | E182 P187 F188 | E182-T184 PolarHBondContact O-N 3.3Å; E182-T184 VanDerWaalsContact O-N 3.14Å; T184-P187 WeakPolarHBondContact O-CD 3.43Å; T184-F188 VanDerWaalsContact O-CB 3.31Å; T184-F188 WeakPolarHBondContact O-CB 3.07Å; T184-F188 PolarHBondContact O-N 3.29Å |
| 185 | L | 85.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.6 | -41.1 | -172.2 | -83.8 | 176 | 0 | 0 | 0 | 113.5 | W159 L178 E182 F188 I189 | W159-L185 HydrophobicContact CD2-CD1 4.48Å; W159-L185 HydrophobicContact CH2-CD1 4.19Å; W159-L185 HydrophobicContact CH2-CD2 4.1Å; W159-L185 HydrophobicContact CZ2-CD1 3.82Å; W159-L185 HydrophobicContact CZ2-CD2 3.26Å; W159-L185 HydrophobicContact CZ2-CG 4.01Å; L178-L185 HydrophobicContact CB-CD1 4.08Å; E182-L185 HydrophobicContact CB-CB 4.43Å; E182-L185 HydrophobicContact CB-CD1 3.76Å; E182-L185 HydrophobicContact CB-CG 3.92Å; E182-L185 HydrophobicContact CG-CD1 4.03Å; E182-L185 PolarHBondContact O-N 3.29Å; L185-F188 WeakPolarHBondContact O-CB 3.38Å; L185-F188 PolarHBondContact O-N 3.1Å; L185-I189 WeakPolarHBondContact O-CD1 3.09Å; L185-I189 VanDerWaalsContact O-CG1 3.29Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 3.14Å |
| 186 | I | 87.2 | Confident | 84.8 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -49.6 | -178.6 | -66.9 | 175.3 | 0 | 0 | 0 | 111.1 | C179 F188 I189 C190 I235 C238 F239 | C179-I186 HydrophobicContact CB-CD1 4.5Å; C179-I186 HydrophobicContact CB-CG1 4.2Å; C179-I186 WeakPolarHBondContact O-CD1 3.14Å; I186-F188 VanDerWaalsContact C-N 3.27Å; I186-F188 PolarHBondContact O-N 3.25Å; I186-I189 PolarHBondContact O-N 3.28Å; I186-C190 PolarHBondContact O-N 3.27Å; I186-C190 PolarHBondContact O-SG 3.05Å; I186-I235 HydrophobicContact CD1-CB 4.25Å; I186-I235 HydrophobicContact CD1-CD1 3.77Å; I186-I235 HydrophobicContact CD1-CG1 3.55Å; I186-I235 HydrophobicContact CD1-CG2 3.87Å; I186-I235 HydrophobicContact CG2-CG2 4.5Å; I186-C238 HydrophobicContact CG2-CB 3.87Å; I186-F239 HydrophobicContact CG2-CD2 4.42Å; I186-F239 HydrophobicContact CG2-CE1 4.22Å; I186-F239 HydrophobicContact CG2-CE2 3.9Å; I186-F239 HydrophobicContact CG2-CZ 3.78Å |
| 187 | P | 87.1 | Confident | 84.6 | Confident | 59 Ų | 59 | 40.7 Ų | 40.7 | 38% | 0.383 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.2 | -42.2 | 169.7 | -26.1 | 34.1 | 0 | 0 | 0 | 112.6 | H183 T184 I189 C190 T191 | H183-P187 VanDerWaalsContact O-CD 3.23Å; H183-P187 WeakPolarHBondContact O-CD 3.48Å; T184-P187 WeakPolarHBondContact O-CD 3.43Å; P187-I189 PolarHBondContact O-N 3.08Å; P187-C190 WeakPolarHBondContact O-CB 3.12Å; P187-C190 PolarHBondContact O-N 3.38Å; P187-T191 WeakPolarHBondContact O-CG2 3.22Å; P187-T191 PolarHBondContact O-N 3.27Å; P187-T191 PolarHBondContact O-OG1 2.98Å |
| 188 | F | 87.4 | Confident | 84.3 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 178 | 179.8 | -102.1 | 0 | 0 | 0 | 112.4 | E126 I129 R130 I133 F157 T184 L185 I186 C190 T191 A192 | E126-F188 HydrophobicContact CB-CE2 4.47Å; I129-F188 HydrophobicContact CB-CZ 4.31Å; I129-F188 HydrophobicContact CG2-CE1 3.94Å; I129-F188 HydrophobicContact CG2-CZ 3.92Å; R130-F188 HydrophobicContact CB-CZ 3.83Å; I133-F188 HydrophobicContact CD1-CD1 4.17Å; I133-F188 HydrophobicContact CD1-CE1 3.9Å; F157-F188 HydrophobicContact CE1-CD1 4.29Å; F157-F188 HydrophobicContact CE1-CD2 4.18Å; F157-F188 HydrophobicContact CE1-CE1 4.21Å; F157-F188 HydrophobicContact CE1-CE2 4.09Å; F157-F188 HydrophobicContact CE1-CG 4.26Å; F157-F188 HydrophobicContact CE1-CZ 4.09Å; F157-F188 AromaticContact CZ-CD2 3.7Å; F157-F188 HydrophobicContact CZ-CD2 3.7Å; F157-F188 AromaticContact CZ-CE2 3.58Å; F157-F188 HydrophobicContact CZ-CE2 3.58Å; F157-F188 HydrophobicContact CZ-CG 4.22Å; F157-F188 HydrophobicContact CZ-CZ 4Å; T184-F188 VanDerWaalsContact O-CB 3.31Å; T184-F188 WeakPolarHBondContact O-CB 3.07Å; T184-F188 PolarHBondContact O-N 3.29Å; L185-F188 WeakPolarHBondContact O-CB 3.38Å; L185-F188 PolarHBondContact O-N 3.1Å; I186-F188 VanDerWaalsContact C-N 3.27Å; I186-F188 PolarHBondContact O-N 3.25Å; F188-C190 VanDerWaalsContact C-N 3.28Å; F188-C190 PolarHBondContact O-N 2.97Å; F188-T191 WeakPolarHBondContact CA-OG1 3.48Å; F188-T191 PolarHBondContact O-N 2.67Å; F188-T191 PolarHBondContact O-OG1 3.35Å; F188-A192 WeakPolarHBondContact O-CB 3.22Å; F188-A192 PolarHBondContact O-N 2.87Å |
| 189 | I | 88.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 175.2 | -68.3 | 157 | 0 | 0 | 0 | 110.9 | F175 L185 I186 P187 A192 I193 F214 I218 F239 | F175-I189 HydrophobicContact CE1-CD1 4.14Å; F175-I189 HydrophobicContact CZ-CD1 4.47Å; L185-I189 WeakPolarHBondContact O-CD1 3.09Å; L185-I189 VanDerWaalsContact O-CG1 3.29Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 3.14Å; I186-I189 PolarHBondContact O-N 3.28Å; P187-I189 PolarHBondContact O-N 3.08Å; I189-A192 PolarHBondContact O-N 3.41Å; I189-I193 HydrophobicContact CG2-CD1 3.91Å; I189-I193 WeakPolarHBondContact O-CD1 3.17Å; I189-I193 WeakPolarHBondContact O-CG1 3.32Å; I189-I193 PolarHBondContact O-N 3.08Å; I189-F214 HydrophobicContact CG1-CE1 4.29Å; I189-F214 HydrophobicContact CG1-CZ 4.49Å; I189-F214 HydrophobicContact CG2-CE1 4.39Å; I189-I218 HydrophobicContact CD1-CD1 3.76Å; I189-I218 HydrophobicContact CD1-CG2 4.43Å; I189-I218 HydrophobicContact CG1-CD1 4.24Å; I189-I218 HydrophobicContact CG2-CD1 4.17Å; I189-F239 HydrophobicContact CG2-CE1 4.46Å |
| 190 | C | 86.4 | Confident | 83.3 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 8% | 0.081 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -51.7 | 175.6 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | I186 P187 F188 A192 I193 L194 F239 V242 | I186-C190 PolarHBondContact O-N 3.27Å; I186-C190 PolarHBondContact O-SG 3.05Å; P187-C190 WeakPolarHBondContact O-CB 3.12Å; P187-C190 PolarHBondContact O-N 3.38Å; F188-C190 VanDerWaalsContact C-N 3.28Å; F188-C190 PolarHBondContact O-N 2.97Å; C190-A192 VanDerWaalsContact C-N 3.27Å; C190-A192 PolarHBondContact O-N 3.18Å; C190-I193 PolarHBondContact O-N 3.13Å; C190-L194 WeakPolarHBondContact O-CG 3.45Å; C190-L194 PolarHBondContact O-N 3.26Å; C190-L194 VanDerWaalsContact O-N 3.14Å; C190-F239 WeakPolarHBondContact SG-CD1 3.44Å; C190-F239 WeakPolarHBondContact SG-CE1 3.47Å; C190-V242 HydrophobicContact CB-CG2 3.54Å |
| 191 | T | 87 | Confident | 82.8 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -34.7 | 178.4 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | R130 P187 F188 L194 S195 | R130-T191 PolarHBondContact NH2-OG1 3.08Å; P187-T191 WeakPolarHBondContact O-CG2 3.22Å; P187-T191 PolarHBondContact O-N 3.27Å; P187-T191 PolarHBondContact O-OG1 2.98Å; F188-T191 WeakPolarHBondContact CA-OG1 3.48Å; F188-T191 PolarHBondContact O-N 2.67Å; F188-T191 PolarHBondContact O-OG1 3.35Å; T191-L194 PolarHBondContact O-N 3.48Å; T191-S195 WeakPolarHBondContact O-CB 3.45Å; T191-S195 PolarHBondContact O-N 2.85Å; T191-S195 PolarHBondContact O-OG 3.22Å |
| 192 | A | 86.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -51.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R130 F188 I189 C190 L194 S195 Y196 M211 | R130-A192 HydrophobicContact CG-CB 3.81Å; F188-A192 WeakPolarHBondContact O-CB 3.22Å; F188-A192 PolarHBondContact O-N 2.87Å; I189-A192 PolarHBondContact O-N 3.41Å; C190-A192 VanDerWaalsContact C-N 3.27Å; C190-A192 PolarHBondContact O-N 3.18Å; A192-L194 VanDerWaalsContact C-N 3.29Å; A192-L194 PolarHBondContact O-N 2.57Å; A192-S195 PolarHBondContact O-N 3.09Å; A192-S195 PolarHBondContact O-OG 3.27Å; A192-Y196 VanDerWaalsContact O-CD2 3.24Å; A192-Y196 WeakPolarHBondContact O-CD2 3.24Å; A192-Y196 PolarHBondContact O-N 3.14Å; A192-M211 HydrophobicContact CB-CE 4.44Å |
| 193 | I | 86.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 179.3 | -64.3 | 154.8 | 0 | 0 | 0 | 110 | I189 C190 S195 Y196 M197 F215 V242 F255 | I189-I193 HydrophobicContact CG2-CD1 3.91Å; I189-I193 WeakPolarHBondContact O-CD1 3.17Å; I189-I193 WeakPolarHBondContact O-CG1 3.32Å; I189-I193 PolarHBondContact O-N 3.08Å; C190-I193 PolarHBondContact O-N 3.13Å; I193-S195 PolarHBondContact O-N 3.44Å; I193-Y196 PolarHBondContact O-N 3.21Å; I193-M197 HydrophobicContact CG2-CE 4.05Å; I193-M197 HydrophobicContact CG2-CG 4.44Å; I193-M197 VanDerWaalsContact O-CG 3.25Å; I193-M197 WeakPolarHBondContact O-CG 3.46Å; I193-M197 PolarHBondContact O-N 3.48Å; I193-F215 HydrophobicContact CD1-CB 3.45Å; I193-F215 VanDerWaalsContact CD1-CB 3.45Å; I193-F215 HydrophobicContact CD1-CD1 4.1Å; I193-F215 HydrophobicContact CD1-CD2 3.21Å; I193-F215 HydrophobicContact CD1-CE2 3.94Å; I193-F215 HydrophobicContact CD1-CG 3.3Å; I193-F215 HydrophobicContact CG1-CB 4.18Å; I193-F215 HydrophobicContact CG1-CG 4.43Å; I193-V242 HydrophobicContact CG2-CG1 4.41Å; I193-F255 HydrophobicContact CG2-CD2 4.1Å; I193-F255 HydrophobicContact CG2-CE2 3.55Å; I193-F255 HydrophobicContact CG2-CZ 3.93Å |
| 194 | L | 85.7 | Confident | 80.9 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | -179.6 | -66.2 | -177.5 | 0 | 0 | 0 | 112.7 | C190 T191 A192 M197 E198 V242 Q245 | C190-L194 WeakPolarHBondContact O-CG 3.45Å; C190-L194 PolarHBondContact O-N 3.26Å; C190-L194 VanDerWaalsContact O-N 3.14Å; T191-L194 PolarHBondContact O-N 3.48Å; A192-L194 VanDerWaalsContact C-N 3.29Å; A192-L194 PolarHBondContact O-N 2.57Å; L194-M197 WeakPolarHBondContact O-CB 3.48Å; L194-M197 PolarHBondContact O-N 2.83Å; L194-E198 PolarHBondContact O-N 2.68Å; L194-V242 HydrophobicContact CD1-CG2 4.28Å; L194-V242 HydrophobicContact CD2-CG2 4.49Å; L194-V242 HydrophobicContact CG-CG2 4.27Å; L194-Q245 HydrophobicContact CD2-CB 4.45Å; L194-Q245 VanDerWaalsContact CD2-CD 3.45Å; L194-Q245 HydrophobicContact CD2-CG 4.26Å |
| 195 | S | 81.4 | Confident | 80.3 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 12% | 0.119 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | 177.3 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | R130 T191 A192 I193 M197 E198 C199 | R130-S195 WeakPolarHBondContact CD-OG 3.38Å; R130-S195 PolarHBondContact NH1-OG 3.04Å; T191-S195 WeakPolarHBondContact O-CB 3.45Å; T191-S195 PolarHBondContact O-N 2.85Å; T191-S195 PolarHBondContact O-OG 3.22Å; A192-S195 PolarHBondContact O-N 3.09Å; A192-S195 PolarHBondContact O-OG 3.27Å; I193-S195 PolarHBondContact O-N 3.44Å; S195-M197 VanDerWaalsContact C-N 3.29Å; S195-M197 PolarHBondContact O-N 2.82Å; S195-E198 PolarHBondContact O-N 2.91Å; S195-C199 WeakPolarHBondContact O-CB 3.5Å; S195-C199 PolarHBondContact O-N 3.25Å; S195-C199 PolarHBondContact O-SG 3.33Å; S195-C199 VanDerWaalsContact O-SG 3.35Å |
| 196 | Y | 82.2 | Confident | 79.8 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 173.2 | -92.6 | -98.2 | 0 | 0 | 0 | 111.4 | C96 S99 R130 C131 A192 I193 E198 C200 L208 M211 | C96-Y196 HydrophobicContact CB-CE1 4.44Å; C96-Y196 WeakPolarHBondContact O-CE1 3.37Å; S99-Y196 WeakPolarHBondContact CB-OH 3.24Å; S99-Y196 PolarHBondContact OG-OH 2.85Å; R130-Y196 HydrophobicContact CG-CD2 4.27Å; R130-Y196 HydrophobicContact CG-CE2 3.69Å; R130-Y196 PolarHBondContact O-OH 2.93Å; C131-Y196 WeakPolarHBondContact CA-OH 3.37Å; A192-Y196 VanDerWaalsContact O-CD2 3.24Å; A192-Y196 WeakPolarHBondContact O-CD2 3.24Å; A192-Y196 PolarHBondContact O-N 3.14Å; I193-Y196 PolarHBondContact O-N 3.21Å; Y196-E198 VanDerWaalsContact C-N 3.32Å; Y196-C200 VanDerWaalsContact O-CB 3.23Å; Y196-C200 WeakPolarHBondContact O-CB 3.41Å; Y196-C200 PolarHBondContact O-N 3.1Å; Y196-L208 HydrophobicContact CD1-CD2 4.4Å; Y196-M211 HydrophobicContact CD1-CG 3.82Å; Y196-M211 HydrophobicContact CD2-CE 3.72Å; Y196-M211 HydrophobicContact CD2-CG 3.98Å; Y196-M211 HydrophobicContact CD2-SD 4.42Å; Y196-M211 HydrophobicContact CE1-CE 4.41Å; Y196-M211 HydrophobicContact CE1-CG 3.82Å; Y196-M211 HydrophobicContact CE2-CE 3.13Å; Y196-M211 HydrophobicContact CE2-CG 3.99Å; Y196-M211 HydrophobicContact CE2-SD 4.28Å; Y196-M211 HydrophobicContact CG-CG 3.86Å |
| 197 | M | 80.5 | Confident | 79.1 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 174.8 | -63.4 | -61.4 | 138.5 | 0 | 0 | 112 | I193 L194 S195 R201 L208 T212 I252 F255 | I193-M197 HydrophobicContact CG2-CE 4.05Å; I193-M197 HydrophobicContact CG2-CG 4.44Å; I193-M197 VanDerWaalsContact O-CG 3.25Å; I193-M197 WeakPolarHBondContact O-CG 3.46Å; I193-M197 PolarHBondContact O-N 3.48Å; L194-M197 WeakPolarHBondContact O-CB 3.48Å; L194-M197 PolarHBondContact O-N 2.83Å; S195-M197 VanDerWaalsContact C-N 3.29Å; S195-M197 PolarHBondContact O-N 2.82Å; M197-R201 PolarHBondContact O-N 3.18Å; M197-L208 HydrophobicContact CE-CB 4.14Å; M197-L208 HydrophobicContact CE-CD1 3.85Å; M197-L208 HydrophobicContact CE-CD2 3.74Å; M197-L208 HydrophobicContact CE-CG 4.12Å; M197-L208 HydrophobicContact SD-CD1 3.63Å; M197-L208 HydrophobicContact SD-CD2 4.28Å; M197-L208 HydrophobicContact SD-CG 4.49Å; M197-T212 HydrophobicContact CE-CG2 3.89Å; M197-I252 HydrophobicContact CB-CD1 4.45Å; M197-I252 HydrophobicContact SD-CD1 3.63Å; M197-I252 HydrophobicContact SD-CG2 3.95Å; M197-F255 HydrophobicContact CE-CB 3.7Å; M197-F255 HydrophobicContact CE-CD1 4.01Å; M197-F255 HydrophobicContact CE-CD2 3.95Å; M197-F255 HydrophobicContact CE-CG 3.63Å; M197-F255 HydrophobicContact CG-CD1 3.95Å; M197-F255 HydrophobicContact CG-CE1 4.01Å; M197-F255 HydrophobicContact CG-CG 4.49Å; M197-F255 HydrophobicContact SD-CB 3.83Å; M197-F255 HydrophobicContact SD-CD1 3.53Å; M197-F255 VanDerWaalsContact SD-CD1 3.53Å; M197-F255 HydrophobicContact SD-CE1 4.22Å; M197-F255 HydrophobicContact SD-CG 3.74Å |
| 198 | E | 80.7 | Confident | 78.8 | Confident | 160 Ų | 160 | 49.9 Ų | 49.9 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.1 | -46.6 | 178.8 | -171 | 167.5 | -164 | 0 | 0 | 111.7 | L194 S195 Y196 | L194-E198 PolarHBondContact O-N 2.68Å; S195-E198 PolarHBondContact O-N 2.91Å; Y196-E198 VanDerWaalsContact C-N 3.32Å |
| 199 | C | 75.1 | Confident | 78.7 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 179 | -69 | 0 | 0 | 0 | 0 | 112.8 | C96 Y97 S195 | C96-C199 HydrophobicContact CB-CB 3.78Å; C96-C199 VanDerWaalsContact SG-SG 3.65Å; Y97-C199 WeakPolarHBondContact CE1-O 3.41Å; S195-C199 WeakPolarHBondContact O-CB 3.5Å; S195-C199 PolarHBondContact O-N 3.25Å; S195-C199 PolarHBondContact O-SG 3.33Å; S195-C199 VanDerWaalsContact O-SG 3.35Å |
| 200 | C | 71.2 | Confident | 78.5 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 18.2 | -174.7 | -59 | 0 | 0 | 0 | 0 | 114.2 | Y196 D202 L203 L208 | Y196-C200 VanDerWaalsContact O-CB 3.23Å; Y196-C200 WeakPolarHBondContact O-CB 3.41Å; Y196-C200 PolarHBondContact O-N 3.1Å; C200-D202 VanDerWaalsContact C-N 3.27Å; C200-D202 PolarHBondContact O-N 2.85Å; C200-L203 HydrophobicContact CB-CD1 4.24Å; C200-L203 PolarHBondContact O-N 3.07Å; C200-L208 HydrophobicContact CB-CD1 4.48Å; C200-L208 HydrophobicContact CB-CD2 4Å; C200-L208 HydrophobicContact CB-CG 4.28Å |
| 201 | R | 71 | Confident | 78.5 | Confident | 192 Ų | 192 | 53.7 Ų | 53.7 | 73% | 0.725 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -35.4 | -173.6 | -164 | 178.5 | -164.8 | 171 | 3 | 114.2 | M197 | M197-R201 PolarHBondContact O-N 3.18Š|
| 202 | D | 68.8 | Low | 78.6 | Confident | 159 Ų | 159 | 50.7 Ų | 50.7 | 85% | 0.85 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 6.9 | -174.5 | -56.5 | -35.8 | 0 | 0 | 0 | 113.2 | C200 | C200-D202 VanDerWaalsContact C-N 3.27Å; C200-D202 PolarHBondContact O-N 2.85Å |
| 203 | L | 70.2 | Confident | 78.7 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -102.3 | 169.6 | -176.8 | -68.6 | 174.5 | 0 | 0 | 0 | 112.5 | A58 Y97 C200 | A58-L203 HydrophobicContact CB-CD2 3.77Å; Y97-L203 HydrophobicContact CD1-CD1 3.86Å; Y97-L203 HydrophobicContact CD2-CD1 4.19Å; Y97-L203 HydrophobicContact CE1-CD1 3.44Å; Y97-L203 VanDerWaalsContact CE1-CD1 3.44Å; Y97-L203 HydrophobicContact CE2-CD1 3.82Å; Y97-L203 HydrophobicContact CG-CD1 4.22Å; Y97-L203 VanDerWaalsContact CZ-CD1 3.42Å; C200-L203 HydrophobicContact CB-CD1 4.24Å; C200-L203 PolarHBondContact O-N 3.07Å |
| 204 | M | 68.4 | Low | 78.9 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 62% | 0.616 | 28% | 0.283 | S | S | * | . | trans | -56.2 | 125.2 | 174.1 | -165.4 | 68.7 | 71.7 | 0 | 0 | 110.4 | T206 R207 | M204-T206 HydrophobicContact CG-CG2 4.48Å; M204-T206 WeakPolarHBondContact CG-OG1 3.16Å; M204-T206 PolarHBondContact O-N 3.09Å; M204-R207 PolarHBondContact O-N 2.92Å | ||
| 205 | P | 68.8 | Low | 79 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -62.7 | -21.2 | -171.2 | 22.4 | -33.7 | 0 | 0 | 0 | 113.6 | R207 L208 P254 | P205-R207 PolarHBondContact O-N 3.43Å; P205-L208 PolarHBondContact O-N 3.46Å; P205-P254 HydrophobicContact CB-CG 4.42Å; P205-P254 VanDerWaalsContact O-CG 3.32Å; P205-P254 WeakPolarHBondContact O-CG 2.94Å |
| 206 | T | 74.5 | Confident | 79.5 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -59.7 | -24.2 | 178.2 | 52 | 0 | 0 | 0 | 0 | 113.6 | M204 L208 N209 | M204-T206 HydrophobicContact CG-CG2 4.48Å; M204-T206 WeakPolarHBondContact CG-OG1 3.16Å; M204-T206 PolarHBondContact O-N 3.09Å; T206-L208 PolarHBondContact O-N 2.94Å; T206-N209 WeakPolarHBondContact O-CB 3.3Å; T206-N209 PolarHBondContact O-N 3.35Å; T206-N209 VanDerWaalsContact O-N 3.14Å; T206-N209 PolarHBondContact O-ND2 3.45Å |
| 207 | R | 74.1 | Confident | 79.8 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -64.8 | -27.4 | 178.5 | -63.2 | -155.2 | -168.1 | 166.3 | 20.9 | 113.4 | E56 A58 M204 P205 N209 | E56-R207 IonicContact OE1-CZ 2.63Å; E56-R207 IonicContact OE1-NH2 2.82Å; E56-R207 PolarHBondContact OE1-NH2 2.98Å; E56-R207 IonicContact OE2-CZ 3.49Å; E56-R207 IonicContact OE2-NE 3.37Å; E56-R207 PolarHBondContact OE2-NE 2.93Å; E56-R207 IonicContact OE2-NH2 3.83Å; E56-R207 PolarHBondContact OE2-NH2 3.09Å; A58-R207 VanDerWaalsContact CB-NH2 3.33Å; M204-R207 PolarHBondContact O-N 2.92Å; P205-R207 PolarHBondContact O-N 3.43Å; R207-N209 PolarHBondContact O-N 3.09Å |
| 208 | L | 79.5 | Confident | 80.1 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -78.5 | -9.2 | 179.9 | -66.5 | 166.3 | 0 | 0 | 0 | 112.4 | Y196 M197 C200 P205 T206 D210 M211 T212 I252 P254 | Y196-L208 HydrophobicContact CD1-CD2 4.4Å; M197-L208 HydrophobicContact CE-CB 4.14Å; M197-L208 HydrophobicContact CE-CD1 3.85Å; M197-L208 HydrophobicContact CE-CD2 3.74Å; M197-L208 HydrophobicContact CE-CG 4.12Å; M197-L208 HydrophobicContact SD-CD1 3.63Å; M197-L208 HydrophobicContact SD-CD2 4.28Å; M197-L208 HydrophobicContact SD-CG 4.49Å; C200-L208 HydrophobicContact CB-CD1 4.48Å; C200-L208 HydrophobicContact CB-CD2 4Å; C200-L208 HydrophobicContact CB-CG 4.28Å; P205-L208 PolarHBondContact O-N 3.46Å; T206-L208 PolarHBondContact O-N 2.94Å; L208-D210 VanDerWaalsContact C-N 3.35Å; L208-D210 PolarHBondContact O-N 3.07Å; L208-M211 PolarHBondContact O-N 3.15Å; L208-M211 VanDerWaalsContact O-N 3.16Å; L208-T212 HydrophobicContact CB-CG2 4.28Å; L208-T212 WeakPolarHBondContact O-CG2 3.28Å; L208-T212 PolarHBondContact O-N 3.46Å; L208-T212 PolarHBondContact O-OG1 3.48Å; L208-I252 HydrophobicContact CD1-CD1 4.33Å; L208-I252 HydrophobicContact CD1-CG2 3.43Å; L208-I252 VanDerWaalsContact CD1-CG2 3.43Å; L208-P254 HydrophobicContact CB-CG 4.44Å |
| 209 | N | 85.4 | Confident | 80.3 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.3 | -45.7 | -176.6 | -77.1 | -9.9 | 0 | 0 | 0 | 112.8 | T206 R207 M211 T212 N213 P254 | T206-N209 WeakPolarHBondContact O-CB 3.3Å; T206-N209 PolarHBondContact O-N 3.35Å; T206-N209 VanDerWaalsContact O-N 3.14Å; T206-N209 PolarHBondContact O-ND2 3.45Å; R207-N209 PolarHBondContact O-N 3.09Å; N209-M211 VanDerWaalsContact C-N 3.33Å; N209-M211 PolarHBondContact O-N 3.16Å; N209-T212 WeakPolarHBondContact CA-OG1 3.26Å; N209-T212 PolarHBondContact O-N 3.06Å; N209-T212 PolarHBondContact O-OG1 3.12Å; N209-N213 WeakPolarHBondContact O-CB 2.93Å; N209-N213 PolarHBondContact O-N 2.56Å; N209-N213 PolarHBondContact O-ND2 3.36Å; N209-P254 WeakPolarHBondContact OD1-CB 3.4Å |
| 210 | D | 85.3 | Confident | 81 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | -178.3 | -83.8 | -7.9 | 0 | 0 | 0 | 110.7 | K103 Y135 L208 F214 | K103-D210 IonicContact NZ-OD1 2.61Å; K103-D210 PolarHBondContact NZ-OD1 3.48Å; K103-D210 IonicContact NZ-OD2 3.33Å; K103-D210 PolarHBondContact NZ-OD2 3.36Å; Y135-D210 PolarHBondContact OH-OD2 3.45Å; L208-D210 VanDerWaalsContact C-N 3.35Å; L208-D210 PolarHBondContact O-N 3.07Å; D210-F214 VanDerWaalsContact O-CB 3.26Å; D210-F214 WeakPolarHBondContact O-CB 3.44Å; D210-F214 PolarHBondContact O-N 3.24Å |
| 211 | M | 86.2 | Confident | 81.7 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.4 | -40.8 | 176.6 | -92.7 | -61.5 | -170.5 | 0 | 0 | 113.7 | R130 I133 P134 A192 Y196 L208 N209 F214 F215 | R130-M211 WeakPolarHBondContact O-CE 3.48Å; I133-M211 HydrophobicContact CG2-CE 3.91Å; P134-M211 HydrophobicContact CG-CE 3.47Å; P134-M211 VanDerWaalsContact CG-CE 3.47Å; P134-M211 HydrophobicContact CG-CG 4Å; P134-M211 HydrophobicContact CG-SD 3.48Å; P134-M211 WeakPolarHBondContact CG-SD 3.24Å; A192-M211 HydrophobicContact CB-CE 4.44Å; Y196-M211 HydrophobicContact CD1-CG 3.82Å; Y196-M211 HydrophobicContact CD2-CE 3.72Å; Y196-M211 HydrophobicContact CD2-CG 3.98Å; Y196-M211 HydrophobicContact CD2-SD 4.42Å; Y196-M211 HydrophobicContact CE1-CE 4.41Å; Y196-M211 HydrophobicContact CE1-CG 3.82Å; Y196-M211 HydrophobicContact CE2-CE 3.13Å; Y196-M211 HydrophobicContact CE2-CG 3.99Å; Y196-M211 HydrophobicContact CE2-SD 4.28Å; Y196-M211 HydrophobicContact CG-CG 3.86Å; L208-M211 PolarHBondContact O-N 3.15Å; L208-M211 VanDerWaalsContact O-N 3.16Å; N209-M211 VanDerWaalsContact C-N 3.33Å; N209-M211 PolarHBondContact O-N 3.16Å; M211-F214 WeakPolarHBondContact O-CB 3.09Å; M211-F214 PolarHBondContact O-N 3.45Å; M211-F214 HydrophobicContact SD-CD1 4.02Å; M211-F215 PolarHBondContact O-N 3.2Å |
| 212 | T | 88.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.2 | -35 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | M197 L208 N209 F215 L216 F255 | M197-T212 HydrophobicContact CE-CG2 3.89Å; L208-T212 HydrophobicContact CB-CG2 4.28Å; L208-T212 WeakPolarHBondContact O-CG2 3.28Å; L208-T212 PolarHBondContact O-N 3.46Å; L208-T212 PolarHBondContact O-OG1 3.48Å; N209-T212 WeakPolarHBondContact CA-OG1 3.26Å; N209-T212 PolarHBondContact O-N 3.06Å; N209-T212 PolarHBondContact O-OG1 3.12Å; T212-F215 PolarHBondContact O-N 3.12Å; T212-L216 WeakPolarHBondContact O-CB 3.22Å; T212-L216 PolarHBondContact O-N 3.36Å; T212-F255 HydrophobicContact CG2-CB 3.89Å; T212-F255 HydrophobicContact CG2-CD2 4.19Å; T212-F255 HydrophobicContact CG2-CG 4.47Å |
| 213 | N | 89.1 | Confident | 83 | Confident | 94 Ų | 94 | 30.2 Ų | 30.2 | 50% | 0.503 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.4 | -37 | 173.4 | -70.7 | -27.5 | 0 | 0 | 0 | 111.2 | N209 G217 | N209-N213 WeakPolarHBondContact O-CB 2.93Å; N209-N213 PolarHBondContact O-N 2.56Å; N209-N213 PolarHBondContact O-ND2 3.36Å; N213-G217 WeakPolarHBondContact O-CA 3.38Å; N213-G217 PolarHBondContact O-N 3.43Å |
| 214 | F | 89.7 | Confident | 83.7 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 6% | 0.057 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 170.8 | 170 | -111.2 | 0 | 0 | 0 | 111 | I133 P134 H136 F175 I189 D210 M211 L216 G217 I218 | I133-F214 HydrophobicContact CB-CZ 4.3Å; I133-F214 HydrophobicContact CD1-CZ 4.08Å; I133-F214 HydrophobicContact CG1-CE1 4.35Å; I133-F214 HydrophobicContact CG1-CE2 4.37Å; I133-F214 HydrophobicContact CG1-CZ 3.68Å; I133-F214 HydrophobicContact CG2-CD1 4.5Å; I133-F214 HydrophobicContact CG2-CE1 3.76Å; I133-F214 HydrophobicContact CG2-CZ 3.94Å; I133-F214 WeakPolarHBondContact O-CE2 3.48Å; P134-F214 HydrophobicContact CB-CB 4.2Å; P134-F214 HydrophobicContact CB-CG 4.4Å; H136-F214 AromaticContact CE1-CD2 3.81Å; H136-F214 AromaticContact CE1-CE2 3.71Å; H136-F214 AromaticContact ND1-CD2 3.79Å; H136-F214 AromaticContact ND1-CE2 3.51Å; F175-F214 HydrophobicContact CE1-CE2 4.05Å; F175-F214 AromaticContact CE1-CZ 3.95Å; F175-F214 HydrophobicContact CE1-CZ 3.95Å; F175-F214 HydrophobicContact CZ-CE2 4.22Å; F175-F214 AromaticContact CZ-CZ 3.92Å; F175-F214 HydrophobicContact CZ-CZ 3.92Å; I189-F214 HydrophobicContact CG1-CE1 4.29Å; I189-F214 HydrophobicContact CG1-CZ 4.49Å; I189-F214 HydrophobicContact CG2-CE1 4.39Å; D210-F214 VanDerWaalsContact O-CB 3.26Å; D210-F214 WeakPolarHBondContact O-CB 3.44Å; D210-F214 PolarHBondContact O-N 3.24Å; M211-F214 WeakPolarHBondContact O-CB 3.09Å; M211-F214 PolarHBondContact O-N 3.45Å; M211-F214 HydrophobicContact SD-CD1 4.02Å; F214-L216 PolarHBondContact O-N 3.43Å; F214-G217 PolarHBondContact O-N 3.16Å; F214-I218 HydrophobicContact CD1-CD1 3.76Å; F214-I218 HydrophobicContact CD2-CD1 3.72Å; F214-I218 HydrophobicContact CD2-CG1 4.12Å; F214-I218 HydrophobicContact CE1-CD1 3.34Å; F214-I218 HydrophobicContact CE2-CD1 3.3Å; F214-I218 HydrophobicContact CE2-CG1 3.85Å; F214-I218 HydrophobicContact CG-CD1 3.95Å; F214-I218 HydrophobicContact CZ-CD1 3.1Å; F214-I218 HydrophobicContact CZ-CG1 4.14Å; F214-I218 WeakPolarHBondContact O-CD1 3.49Å; F214-I218 VanDerWaalsContact O-CG1 3.29Å; F214-I218 WeakPolarHBondContact O-CG1 3.5Å; F214-I218 PolarHBondContact O-N 3.48Å |
| 215 | F | 88.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.8 | -53.7 | 175.6 | 175.4 | -128.7 | 0 | 0 | 0 | 112.6 | I193 M211 T212 G217 I218 V219 F239 V242 V262 | I193-F215 HydrophobicContact CD1-CB 3.45Å; I193-F215 VanDerWaalsContact CD1-CB 3.45Å; I193-F215 HydrophobicContact CD1-CD1 4.1Å; I193-F215 HydrophobicContact CD1-CD2 3.21Å; I193-F215 HydrophobicContact CD1-CE2 3.94Å; I193-F215 HydrophobicContact CD1-CG 3.3Å; I193-F215 HydrophobicContact CG1-CB 4.18Å; I193-F215 HydrophobicContact CG1-CG 4.43Å; M211-F215 PolarHBondContact O-N 3.2Å; T212-F215 PolarHBondContact O-N 3.12Å; F215-G217 VanDerWaalsContact C-N 3.3Å; F215-G217 PolarHBondContact O-N 3.47Å; F215-I218 PolarHBondContact O-N 3.41Å; F215-V219 HydrophobicContact CD2-CG2 4.03Å; F215-V219 HydrophobicContact CE2-CG2 3.68Å; F215-V219 HydrophobicContact CZ-CG2 4.2Å; F215-V219 WeakPolarHBondContact O-CG2 3.48Å; F215-V219 PolarHBondContact O-N 3.44Å; F215-F239 HydrophobicContact CD2-CE1 4.24Å; F215-F239 AromaticContact CE2-CD1 3.64Å; F215-F239 HydrophobicContact CE2-CD1 3.64Å; F215-F239 AromaticContact CE2-CE1 3.57Å; F215-F239 HydrophobicContact CE2-CE1 3.57Å; F215-F239 HydrophobicContact CE2-CG 4.44Å; F215-F239 HydrophobicContact CE2-CZ 4.27Å; F215-F239 HydrophobicContact CZ-CD1 4.28Å; F215-V242 HydrophobicContact CE1-CG1 4.47Å; F215-V242 HydrophobicContact CZ-CG1 4.13Å; F215-V262 HydrophobicContact CD1-CG2 4.26Å; F215-V262 HydrophobicContact CE1-CB 4.47Å; F215-V262 HydrophobicContact CE1-CG2 3.81Å; F215-V262 HydrophobicContact CZ-CG1 4.28Å; F215-V262 HydrophobicContact CZ-CG2 4.13Å |
| 216 | L | 91.6 | Very high | 84.7 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 177.6 | 177 | 62 | 0 | 0 | 0 | 111.4 | T212 F214 I218 V219 T220 A258 L261 V262 | T212-L216 WeakPolarHBondContact O-CB 3.22Å; T212-L216 PolarHBondContact O-N 3.36Å; F214-L216 PolarHBondContact O-N 3.43Å; L216-I218 PolarHBondContact O-N 3.33Å; L216-V219 PolarHBondContact O-N 3.24Å; L216-T220 HydrophobicContact CD1-CG2 3.99Å; L216-T220 HydrophobicContact CG-CG2 4.41Å; L216-T220 WeakPolarHBondContact O-CB 3.34Å; L216-T220 VanDerWaalsContact O-CG2 3.27Å; L216-T220 WeakPolarHBondContact O-CG2 3.19Å; L216-T220 PolarHBondContact O-N 3.18Å; L216-T220 PolarHBondContact O-OG1 2.68Å; L216-A258 HydrophobicContact CB-CB 4.37Å; L216-L261 HydrophobicContact CD1-CB 3.62Å; L216-L261 HydrophobicContact CD2-CB 4.27Å; L216-L261 HydrophobicContact CD2-CD1 3.66Å; L216-V262 HydrophobicContact CD1-CG2 3.88Å |
| 217 | G | 89.1 | Confident | 84.9 | Confident | 11 Ų | 11 | 27 Ų | 27 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N213 F214 F215 T220 A221 | N213-G217 WeakPolarHBondContact O-CA 3.38Å; N213-G217 PolarHBondContact O-N 3.43Å; F214-G217 PolarHBondContact O-N 3.16Å; F215-G217 VanDerWaalsContact C-N 3.3Å; F215-G217 PolarHBondContact O-N 3.47Å; G217-T220 WeakPolarHBondContact CA-OG1 3.48Å; G217-T220 PolarHBondContact O-OG1 3.11Å; G217-A221 WeakPolarHBondContact O-CB 3.36Å; G217-A221 PolarHBondContact O-N 2.89Å |
| 218 | I | 86 | Confident | 85.3 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.1 | -47.6 | 175.6 | -66.1 | 158.7 | 0 | 0 | 0 | 110.8 | F175 I189 F214 F215 L216 T220 A221 L222 | F175-I218 HydrophobicContact CD1-CD1 4.48Å; F175-I218 HydrophobicContact CD1-CG1 4.11Å; F175-I218 HydrophobicContact CE1-CD1 3.84Å; F175-I218 HydrophobicContact CE1-CG1 3.95Å; I189-I218 HydrophobicContact CD1-CD1 3.76Å; I189-I218 HydrophobicContact CD1-CG2 4.43Å; I189-I218 HydrophobicContact CG1-CD1 4.24Å; I189-I218 HydrophobicContact CG2-CD1 4.17Å; F214-I218 HydrophobicContact CD1-CD1 3.76Å; F214-I218 HydrophobicContact CD2-CD1 3.72Å; F214-I218 HydrophobicContact CD2-CG1 4.12Å; F214-I218 HydrophobicContact CE1-CD1 3.34Å; F214-I218 HydrophobicContact CE2-CD1 3.3Å; F214-I218 HydrophobicContact CE2-CG1 3.85Å; F214-I218 HydrophobicContact CG-CD1 3.95Å; F214-I218 HydrophobicContact CZ-CD1 3.1Å; F214-I218 HydrophobicContact CZ-CG1 4.14Å; F214-I218 WeakPolarHBondContact O-CD1 3.49Å; F214-I218 VanDerWaalsContact O-CG1 3.29Å; F214-I218 WeakPolarHBondContact O-CG1 3.5Å; F214-I218 PolarHBondContact O-N 3.48Å; F215-I218 PolarHBondContact O-N 3.41Å; L216-I218 PolarHBondContact O-N 3.33Å; I218-T220 VanDerWaalsContact C-N 3.32Å; I218-T220 PolarHBondContact O-N 3.09Å; I218-A221 CarbonylContact O-C 3.45Å; I218-A221 PolarHBondContact O-N 3.1Å; I218-L222 HydrophobicContact CG2-CD1 3.75Å; I218-L222 HydrophobicContact CG2-CG 4.12Å; I218-L222 WeakPolarHBondContact O-CB 3.39Å; I218-L222 WeakPolarHBondContact O-CG 3.39Å; I218-L222 PolarHBondContact O-N 3.38Å |
| 219 | V | 86.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | -177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | F215 L216 L222 C223 F239 V262 F266 | F215-V219 HydrophobicContact CD2-CG2 4.03Å; F215-V219 HydrophobicContact CE2-CG2 3.68Å; F215-V219 HydrophobicContact CZ-CG2 4.2Å; F215-V219 WeakPolarHBondContact O-CG2 3.48Å; F215-V219 PolarHBondContact O-N 3.44Å; L216-V219 PolarHBondContact O-N 3.24Å; V219-L222 PolarHBondContact O-N 3.22Å; V219-C223 PolarHBondContact O-N 3.37Å; V219-C223 PolarHBondContact O-SG 3.48Å; V219-F239 HydrophobicContact CG2-CE2 4.24Å; V219-F239 HydrophobicContact CG2-CZ 4.32Å; V219-V262 HydrophobicContact CB-CG2 3.93Å; V219-V262 HydrophobicContact CG1-CB 4.37Å; V219-V262 HydrophobicContact CG1-CG1 3.96Å; V219-V262 HydrophobicContact CG1-CG2 3.98Å; V219-V262 HydrophobicContact CG2-CG1 4.45Å; V219-V262 HydrophobicContact CG2-CG2 4.04Å; V219-F266 HydrophobicContact CG1-CD2 4.22Å; V219-F266 HydrophobicContact CG1-CE1 4.37Å; V219-F266 HydrophobicContact CG1-CE2 3.58Å; V219-F266 HydrophobicContact CG1-CZ 3.67Å |
| 220 | T | 88.3 | Confident | 85 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 173.8 | 50 | 0 | 0 | 0 | 0 | 111.4 | L216 G217 I218 L222 C223 D224 R265 | L216-T220 HydrophobicContact CD1-CG2 3.99Å; L216-T220 HydrophobicContact CG-CG2 4.41Å; L216-T220 WeakPolarHBondContact O-CB 3.34Å; L216-T220 VanDerWaalsContact O-CG2 3.27Å; L216-T220 WeakPolarHBondContact O-CG2 3.19Å; L216-T220 PolarHBondContact O-N 3.18Å; L216-T220 PolarHBondContact O-OG1 2.68Å; G217-T220 WeakPolarHBondContact CA-OG1 3.48Å; G217-T220 PolarHBondContact O-OG1 3.11Å; I218-T220 VanDerWaalsContact C-N 3.32Å; I218-T220 PolarHBondContact O-N 3.09Å; T220-L222 PolarHBondContact O-N 2.95Å; T220-C223 WeakPolarHBondContact O-CB 3.45Å; T220-C223 PolarHBondContact O-N 3.05Å; T220-D224 VanDerWaalsContact O-CG 3.26Å; T220-D224 PolarHBondContact O-N 2.94Å; T220-R265 HydrophobicContact CG2-CG 4.13Å |
| 221 | A | 85.8 | Confident | 84.9 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R172 A176 G217 I218 D224 S225 | R172-A221 HydrophobicContact CG-CB 3.82Å; A176-A221 HydrophobicContact CB-CB 3.97Å; G217-A221 WeakPolarHBondContact O-CB 3.36Å; G217-A221 PolarHBondContact O-N 2.89Å; I218-A221 CarbonylContact O-C 3.45Å; I218-A221 PolarHBondContact O-N 3.1Å; A221-D224 PolarHBondContact O-N 2.69Å; A221-S225 VanDerWaalsContact O-CB 3.28Å; A221-S225 WeakPolarHBondContact O-CB 3.31Å; A221-S225 PolarHBondContact O-N 3.38Å; A221-S225 PolarHBondContact O-OG 3.09Å |
| 222 | L | 85.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 174 | -76.6 | 171.3 | 0 | 0 | 0 | 110.7 | A176 C179 I180 I218 V219 T220 D224 S225 I235 F239 | A176-L222 HydrophobicContact CB-CD2 4.24Å; A176-L222 WeakPolarHBondContact O-CD2 3.03Å; C179-L222 HydrophobicContact CB-CD2 4.06Å; I180-L222 HydrophobicContact CD1-CD2 4.21Å; I180-L222 HydrophobicContact CG1-CD2 3.85Å; I218-L222 HydrophobicContact CG2-CD1 3.75Å; I218-L222 HydrophobicContact CG2-CG 4.12Å; I218-L222 WeakPolarHBondContact O-CB 3.39Å; I218-L222 WeakPolarHBondContact O-CG 3.39Å; I218-L222 PolarHBondContact O-N 3.38Å; V219-L222 PolarHBondContact O-N 3.22Å; T220-L222 PolarHBondContact O-N 2.95Å; L222-D224 VanDerWaalsContact C-N 3.28Å; L222-D224 PolarHBondContact O-N 3.41Å; L222-S225 PolarHBondContact O-N 3.22Å; L222-S225 PolarHBondContact O-OG 3.1Å; L222-I235 HydrophobicContact CD1-CG2 4.32Å; L222-F239 HydrophobicContact CD1-CE2 4.37Å |
| 223 | C | 82.5 | Confident | 84.5 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | V219 T220 R265 | V219-C223 PolarHBondContact O-N 3.37Å; V219-C223 PolarHBondContact O-SG 3.48Å; T220-C223 WeakPolarHBondContact O-CB 3.45Å; T220-C223 PolarHBondContact O-N 3.05Å; C223-R265 HydrophobicContact CB-CG 3.91Å |
| 224 | D | 84.5 | Confident | 84.2 | Confident | 106 Ų | 106 | 50 Ų | 50 | 57% | 0.567 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -82.1 | -23.5 | 179.5 | -69.6 | -24.6 | 0 | 0 | 0 | 114.1 | T220 A221 L222 G226 R265 | T220-D224 VanDerWaalsContact O-CG 3.26Å; T220-D224 PolarHBondContact O-N 2.94Å; A221-D224 PolarHBondContact O-N 2.69Å; L222-D224 VanDerWaalsContact C-N 3.28Å; L222-D224 PolarHBondContact O-N 3.41Å; D224-G226 PolarHBondContact O-N 3.14Å; D224-G226 VanDerWaalsContact O-N 3.11Å; D224-R265 IonicContact OD1-CZ 3.95Å; D224-R265 IonicContact OD1-NE 3.15Å; D224-R265 IonicContact OD1-NH2 2.83Å; D224-R265 PolarHBondContact OD1-NH2 2.87Å |
| 225 | S | 80.1 | Confident | 83.9 | Confident | 50 Ų | 50 | 50 Ų | 50 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -3.2 | -172.7 | 65.7 | 0 | 0 | 0 | 0 | 115.1 | A221 L222 V227 | A221-S225 VanDerWaalsContact O-CB 3.28Å; A221-S225 WeakPolarHBondContact O-CB 3.31Å; A221-S225 PolarHBondContact O-N 3.38Å; A221-S225 PolarHBondContact O-OG 3.09Å; L222-S225 PolarHBondContact O-N 3.22Å; L222-S225 PolarHBondContact O-OG 3.1Å; S225-V227 WeakPolarHBondContact OG-CG2 3.42Å |
| 226 | G | 77.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 22.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D224 | D224-G226 PolarHBondContact O-N 3.14Å; D224-G226 VanDerWaalsContact O-N 3.11Å |
| 227 | V | 79.2 | Confident | 83.3 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -57.3 | 138 | 176.6 | -165.9 | 0 | 0 | 0 | 0 | 110.5 | I180 S225 E229 K231 | I180-V227 HydrophobicContact CD1-CB 4.45Å; I180-V227 HydrophobicContact CD1-CG1 4.44Å; I180-V227 HydrophobicContact CD1-CG2 3.26Å; I180-V227 HydrophobicContact CG1-CG2 3.96Å; S225-V227 WeakPolarHBondContact OG-CG2 3.42Å; V227-E229 PolarHBondContact O-N 3.44Å; V227-K231 HydrophobicContact CG1-CB 3.67Å; V227-K231 HydrophobicContact CG1-CD 4.4Å | ||
| 228 | P | 82 | Confident | 83.1 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | trans | -59.5 | 136.3 | 172.5 | 24.1 | -34.1 | 0 | 0 | 0 | 110.9 | K230 K231 L232 | P228-K230 PolarHBondContact O-N 2.85Å; P228-K231 HydrophobicContact CG-CB 4.37Å; P228-K231 HydrophobicContact CG-CD 4.2Å; P228-K231 HydrophobicContact CG-CG 4.31Å; P228-K231 PolarHBondContact O-N 2.95Å; P228-L232 PolarHBondContact O-N 3.19Å | ||
| 229 | E | 80.7 | Confident | 83.2 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -51 | -38.1 | -173.2 | -66.2 | 173.9 | -174.7 | 0 | 0 | 113.2 | V227 K231 L232 L233 L270 | V227-E229 PolarHBondContact O-N 3.44Å; E229-K231 VanDerWaalsContact C-N 3.31Å; E229-K231 PolarHBondContact O-N 3.37Å; E229-L232 PolarHBondContact O-N 3.02Å; E229-L232 VanDerWaalsContact O-N 3.12Å; E229-L233 WeakPolarHBondContact O-CG 3.45Å; E229-L233 PolarHBondContact O-N 2.83Å; E229-L270 HydrophobicContact CB-CD2 3.93Å; E229-L270 HydrophobicContact CG-CD2 4.06Å |
| 230 | K | 79.1 | Confident | 83.1 | Confident | 178 Ų | 178 | 58 Ų | 58 | 77% | 0.774 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.8 | -37.4 | 176.5 | -66.8 | -173.5 | 179.6 | -177 | 0 | 113.9 | P228 | P228-K230 PolarHBondContact O-N 2.85Å |
| 231 | K | 82.2 | Confident | 82.9 | Confident | 111 Ų | 111 | 61.8 Ų | 61.8 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -77.5 | -38.2 | 176.1 | -78.9 | -173.1 | -179.9 | -174.1 | 0 | 110.6 | I180 V227 P228 E229 L233 K234 I235 | I180-K231 HydrophobicContact CG2-CD 4.39Å; V227-K231 HydrophobicContact CG1-CB 3.67Å; V227-K231 HydrophobicContact CG1-CD 4.4Å; P228-K231 HydrophobicContact CG-CB 4.37Å; P228-K231 HydrophobicContact CG-CD 4.2Å; P228-K231 HydrophobicContact CG-CG 4.31Å; P228-K231 PolarHBondContact O-N 2.95Å; E229-K231 VanDerWaalsContact C-N 3.31Å; E229-K231 PolarHBondContact O-N 3.37Å; K231-L233 VanDerWaalsContact C-N 3.25Å; K231-L233 PolarHBondContact O-N 3.11Å; K231-K234 PolarHBondContact O-N 3.3Å; K231-I235 WeakPolarHBondContact O-CG1 3.45Å; K231-I235 PolarHBondContact O-N 3.04Å |
| 232 | L | 84.2 | Confident | 83 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -34 | 177.1 | -167.1 | 64.1 | 0 | 0 | 0 | 111.8 | P228 E229 I235 L236 F266 K269 L270 | P228-L232 PolarHBondContact O-N 3.19Å; E229-L232 PolarHBondContact O-N 3.02Å; E229-L232 VanDerWaalsContact O-N 3.12Å; L232-I235 WeakPolarHBondContact O-CB 3.45Å; L232-I235 PolarHBondContact O-N 3.4Å; L232-L236 WeakPolarHBondContact O-CB 3.16Å; L232-L236 PolarHBondContact O-N 3.43Å; L232-F266 HydrophobicContact CD1-CE1 3.94Å; L232-F266 HydrophobicContact CG-CD1 4.49Å; L232-F266 HydrophobicContact CG-CE1 4.18Å; L232-K269 HydrophobicContact CD2-CG 3.94Å; L232-L270 HydrophobicContact CB-CD1 4.34Å; L232-L270 HydrophobicContact CB-CD2 4.34Å; L232-L270 HydrophobicContact CD2-CD1 3.89Å; L232-L270 HydrophobicContact CD2-CD2 3.95Å; L232-L270 HydrophobicContact CD2-CG 3.84Å; L232-L270 HydrophobicContact CG-CD1 3.86Å; L232-L270 HydrophobicContact CG-CD2 4.42Å; L232-L270 HydrophobicContact CG-CG 4.34Å |
| 233 | L | 83 | Confident | 83.1 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 171.5 | -74.3 | 167.3 | 0 | 0 | 0 | 112.5 | E229 K231 I235 L236 D237 L270 | E229-L233 WeakPolarHBondContact O-CG 3.45Å; E229-L233 PolarHBondContact O-N 2.83Å; K231-L233 VanDerWaalsContact C-N 3.25Å; K231-L233 PolarHBondContact O-N 3.11Å; L233-I235 PolarHBondContact O-N 3.07Å; L233-L236 WeakPolarHBondContact O-CA 3.33Å; L233-L236 WeakPolarHBondContact O-CB 3.45Å; L233-L236 PolarHBondContact O-N 3.23Å; L233-L236 VanDerWaalsContact O-N 3.08Å; L233-D237 VanDerWaalsContact O-CG 3.28Å; L233-D237 PolarHBondContact O-N 3.45Å; L233-L270 HydrophobicContact CD2-CD1 4.02Å; L233-L270 HydrophobicContact CG-CD1 4.36Å; L233-L270 HydrophobicContact CG-CD2 4.37Å |
| 234 | K | 82.4 | Confident | 83.3 | Confident | 147 Ų | 147 | 63.3 Ų | 63.3 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.4 | -35.6 | 174.4 | -66.9 | -175.5 | 178.7 | -168.6 | 0 | 112.7 | K231 D237 C238 | K231-K234 PolarHBondContact O-N 3.3Å; K234-D237 PolarHBondContact O-N 2.81Å; K234-C238 PolarHBondContact O-N 2.95Å; K234-C238 PolarHBondContact O-SG 3.01Å |
| 235 | I | 82.8 | Confident | 83.3 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 175.5 | -66.6 | 173.5 | 0 | 0 | 0 | 110.4 | I186 L222 K231 L232 L233 D237 C238 F239 | I186-I235 HydrophobicContact CD1-CB 4.25Å; I186-I235 HydrophobicContact CD1-CD1 3.77Å; I186-I235 HydrophobicContact CD1-CG1 3.55Å; I186-I235 HydrophobicContact CD1-CG2 3.87Å; I186-I235 HydrophobicContact CG2-CG2 4.5Å; L222-I235 HydrophobicContact CD1-CG2 4.32Å; K231-I235 WeakPolarHBondContact O-CG1 3.45Å; K231-I235 PolarHBondContact O-N 3.04Å; L232-I235 WeakPolarHBondContact O-CB 3.45Å; L232-I235 PolarHBondContact O-N 3.4Å; L233-I235 PolarHBondContact O-N 3.07Å; I235-D237 VanDerWaalsContact C-N 3.3Å; I235-D237 PolarHBondContact O-N 3.39Å; I235-C238 WeakPolarHBondContact O-CB 3.42Å; I235-C238 PolarHBondContact O-N 3.49Å; I235-F239 HydrophobicContact CG2-CD2 3.58Å; I235-F239 HydrophobicContact CG2-CE2 3.43Å; I235-F239 VanDerWaalsContact CG2-CE2 3.43Å; I235-F239 VanDerWaalsContact O-CD2 3.27Å; I235-F239 WeakPolarHBondContact O-CD2 3.01Å; I235-F239 PolarHBondContact O-N 3.13Å |
| 236 | L | 84.5 | Confident | 83.6 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 174.6 | 178.1 | 61.7 | 0 | 0 | 0 | 111.4 | L232 L233 C238 F239 Q240 I243 F266 L270 I272 W280 | L232-L236 WeakPolarHBondContact O-CB 3.16Å; L232-L236 PolarHBondContact O-N 3.43Å; L233-L236 WeakPolarHBondContact O-CA 3.33Å; L233-L236 WeakPolarHBondContact O-CB 3.45Å; L233-L236 PolarHBondContact O-N 3.23Å; L233-L236 VanDerWaalsContact O-N 3.08Å; L236-C238 VanDerWaalsContact C-N 3.31Å; L236-C238 PolarHBondContact O-N 2.83Å; L236-F239 CarbonylContact O-C 3.53Å; L236-F239 PolarHBondContact O-N 3.17Å; L236-F239 VanDerWaalsContact O-N 3.14Å; L236-Q240 PolarHBondContact O-N 3.33Å; L236-I243 HydrophobicContact CD1-CD1 3.82Å; L236-F266 HydrophobicContact CB-CE1 4.39Å; L236-F266 HydrophobicContact CD1-CD1 4.28Å; L236-F266 HydrophobicContact CD1-CD2 3.71Å; L236-F266 HydrophobicContact CD1-CE1 4.37Å; L236-F266 HydrophobicContact CD1-CE2 3.8Å; L236-F266 HydrophobicContact CD1-CG 3.97Å; L236-F266 HydrophobicContact CD1-CZ 4.14Å; L236-L270 HydrophobicContact CD2-CD1 4.28Å; L236-I272 HydrophobicContact CD2-CD1 4.09Å; L236-I272 HydrophobicContact CD2-CG1 4.25Å; L236-I272 HydrophobicContact CD2-CG2 4.42Å; L236-W280 HydrophobicContact CD1-CH2 3.87Å; L236-W280 HydrophobicContact CD1-CZ2 4.08Å; L236-W280 HydrophobicContact CD2-CH2 4.17Å |
| 237 | D | 84.1 | Confident | 84 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175 | -61.2 | -27.2 | 0 | 0 | 0 | 111.2 | L233 K234 I235 F239 Q240 | L233-D237 VanDerWaalsContact O-CG 3.28Å; L233-D237 PolarHBondContact O-N 3.45Å; K234-D237 PolarHBondContact O-N 2.81Å; I235-D237 VanDerWaalsContact C-N 3.3Å; I235-D237 PolarHBondContact O-N 3.39Å; D237-F239 PolarHBondContact O-N 3.05Å; D237-Q240 WeakPolarHBondContact O-CB 3.47Å; D237-Q240 PolarHBondContact O-N 3.04Å |
| 238 | C | 84.5 | Confident | 84.3 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 175.4 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | I186 K234 I235 L236 Q240 | I186-C238 HydrophobicContact CG2-CB 3.87Å; K234-C238 PolarHBondContact O-N 2.95Å; K234-C238 PolarHBondContact O-SG 3.01Å; I235-C238 WeakPolarHBondContact O-CB 3.42Å; I235-C238 PolarHBondContact O-N 3.49Å; L236-C238 VanDerWaalsContact C-N 3.31Å; L236-C238 PolarHBondContact O-N 2.83Å; C238-Q240 VanDerWaalsContact C-N 3.32Å |
| 239 | F | 87.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -81.6 | -8.7 | 179 | -76.2 | -57.7 | 0 | 0 | 0 | 113.7 | I186 I189 C190 F215 V219 L222 I235 L236 D237 D241 V242 I243 F266 | I186-F239 HydrophobicContact CG2-CD2 4.42Å; I186-F239 HydrophobicContact CG2-CE1 4.22Å; I186-F239 HydrophobicContact CG2-CE2 3.9Å; I186-F239 HydrophobicContact CG2-CZ 3.78Å; I189-F239 HydrophobicContact CG2-CE1 4.46Å; C190-F239 WeakPolarHBondContact SG-CD1 3.44Å; C190-F239 WeakPolarHBondContact SG-CE1 3.47Å; F215-F239 HydrophobicContact CD2-CE1 4.24Å; F215-F239 AromaticContact CE2-CD1 3.64Å; F215-F239 HydrophobicContact CE2-CD1 3.64Å; F215-F239 AromaticContact CE2-CE1 3.57Å; F215-F239 HydrophobicContact CE2-CE1 3.57Å; F215-F239 HydrophobicContact CE2-CG 4.44Å; F215-F239 HydrophobicContact CE2-CZ 4.27Å; F215-F239 HydrophobicContact CZ-CD1 4.28Å; V219-F239 HydrophobicContact CG2-CE2 4.24Å; V219-F239 HydrophobicContact CG2-CZ 4.32Å; L222-F239 HydrophobicContact CD1-CE2 4.37Å; I235-F239 HydrophobicContact CG2-CD2 3.58Å; I235-F239 HydrophobicContact CG2-CE2 3.43Å; I235-F239 VanDerWaalsContact CG2-CE2 3.43Å; I235-F239 VanDerWaalsContact O-CD2 3.27Å; I235-F239 WeakPolarHBondContact O-CD2 3.01Å; I235-F239 PolarHBondContact O-N 3.13Å; L236-F239 CarbonylContact O-C 3.53Å; L236-F239 PolarHBondContact O-N 3.17Å; L236-F239 VanDerWaalsContact O-N 3.14Å; D237-F239 PolarHBondContact O-N 3.05Å; F239-D241 VanDerWaalsContact C-N 3.31Å; F239-D241 PolarHBondContact O-N 3.17Å; F239-V242 PolarHBondContact O-N 3.34Å; F239-I243 HydrophobicContact CB-CD1 3.95Å; F239-I243 HydrophobicContact CB-CG1 4.34Å; F239-I243 WeakPolarHBondContact O-CB 3.48Å; F239-I243 VanDerWaalsContact O-CG1 3.3Å; F239-I243 WeakPolarHBondContact O-CG1 3.3Å; F239-I243 PolarHBondContact O-N 3.22Å; F239-F266 HydrophobicContact CD2-CZ 4.25Å |
| 240 | Q | 85.4 | Confident | 83.9 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.4 | -43.2 | -171.3 | -175.7 | 179.6 | -45.2 | 0 | 0 | 112.7 | L236 D237 C238 I243 K244 | L236-Q240 PolarHBondContact O-N 3.33Å; D237-Q240 WeakPolarHBondContact O-CB 3.47Å; D237-Q240 PolarHBondContact O-N 3.04Å; C238-Q240 VanDerWaalsContact C-N 3.32Å; Q240-I243 PolarHBondContact O-N 3.43Å; Q240-K244 HydrophobicContact CG-CD 4.42Å; Q240-K244 WeakPolarHBondContact O-CG 3.17Å; Q240-K244 PolarHBondContact O-N 3.07Å |
| 241 | D | 84.1 | Confident | 83.6 | Confident | 116 Ų | 116 | 54.1 Ų | 54.1 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.9 | -42.8 | -179.1 | -67.1 | -27.7 | 0 | 0 | 0 | 111.7 | F239 I243 K244 Q245 | F239-D241 VanDerWaalsContact C-N 3.31Å; F239-D241 PolarHBondContact O-N 3.17Å; D241-I243 VanDerWaalsContact C-N 3.34Å; D241-I243 PolarHBondContact O-N 3.31Å; D241-K244 PolarHBondContact O-N 3.09Å; D241-Q245 WeakPolarHBondContact O-CB 3.25Å; D241-Q245 PolarHBondContact O-N 3.31Å |
| 242 | V | 86.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | C190 I193 L194 F215 F239 Q245 G246 F255 | C190-V242 HydrophobicContact CB-CG2 3.54Å; I193-V242 HydrophobicContact CG2-CG1 4.41Å; L194-V242 HydrophobicContact CD1-CG2 4.28Å; L194-V242 HydrophobicContact CD2-CG2 4.49Å; L194-V242 HydrophobicContact CG-CG2 4.27Å; F215-V242 HydrophobicContact CE1-CG1 4.47Å; F215-V242 HydrophobicContact CZ-CG1 4.13Å; F239-V242 PolarHBondContact O-N 3.34Å; V242-Q245 PolarHBondContact O-N 2.75Å; V242-G246 PolarHBondContact O-N 3.21Å; V242-F255 HydrophobicContact CG1-CE2 4.09Å; V242-F255 HydrophobicContact CG1-CZ 3.89Å |
| 243 | I | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 176.8 | -69.6 | 167.7 | 0 | 0 | 0 | 110 | L236 F239 Q240 D241 Q245 G246 L247 T259 V262 V263 F266 W280 | L236-I243 HydrophobicContact CD1-CD1 3.82Å; F239-I243 HydrophobicContact CB-CD1 3.95Å; F239-I243 HydrophobicContact CB-CG1 4.34Å; F239-I243 WeakPolarHBondContact O-CB 3.48Å; F239-I243 VanDerWaalsContact O-CG1 3.3Å; F239-I243 WeakPolarHBondContact O-CG1 3.3Å; F239-I243 PolarHBondContact O-N 3.22Å; Q240-I243 PolarHBondContact O-N 3.43Å; D241-I243 VanDerWaalsContact C-N 3.34Å; D241-I243 PolarHBondContact O-N 3.31Å; I243-Q245 VanDerWaalsContact C-N 3.29Å; I243-Q245 PolarHBondContact O-N 2.93Å; I243-G246 PolarHBondContact O-N 3.37Å; I243-L247 HydrophobicContact CG2-CD1 3.9Å; I243-L247 HydrophobicContact CG2-CG 4.21Å; I243-L247 WeakPolarHBondContact O-CB 3.47Å; I243-L247 VanDerWaalsContact O-CG 3.24Å; I243-L247 WeakPolarHBondContact O-CG 3.26Å; I243-L247 PolarHBondContact O-N 3.36Å; I243-T259 HydrophobicContact CB-CG2 4.2Å; I243-T259 HydrophobicContact CG1-CG2 4.38Å; I243-T259 HydrophobicContact CG2-CG2 3.92Å; I243-T259 WeakPolarHBondContact O-CG2 3.42Å; I243-V262 HydrophobicContact CD1-CG1 4.08Å; I243-V262 HydrophobicContact CG1-CG1 4.15Å; I243-V263 HydrophobicContact CG2-CG2 3.53Å; I243-F266 HydrophobicContact CD1-CD2 4.36Å; I243-F266 HydrophobicContact CD1-CE2 4.16Å; I243-W280 HydrophobicContact CD1-CZ2 4.44Å; I243-W280 HydrophobicContact CG2-CZ2 4.36Å |
| 244 | K | 86.5 | Confident | 83.5 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 178.6 | -72.9 | -173.9 | -171.6 | -159.7 | 0 | 111.8 | Q240 D241 K248 D279 I283 | Q240-K244 HydrophobicContact CG-CD 4.42Å; Q240-K244 WeakPolarHBondContact O-CG 3.17Å; Q240-K244 PolarHBondContact O-N 3.07Å; D241-K244 PolarHBondContact O-N 3.09Å; K244-K248 WeakPolarHBondContact O-CB 3.49Å; K244-K248 WeakPolarHBondContact O-CD 3.4Å; K244-K248 WeakPolarHBondContact O-CG 3.44Å; K244-K248 PolarHBondContact O-N 2.97Å; K244-D279 VanDerWaalsContact CE-OD2 3.24Å; K244-D279 WeakPolarHBondContact CE-OD2 3.39Å; K244-D279 IonicContact NZ-OD2 2.76Å; K244-D279 PolarHBondContact NZ-OD2 3.12Å; K244-I283 HydrophobicContact CB-CD1 4.45Å; K244-I283 HydrophobicContact CG-CD1 4.07Å |
| 245 | Q | 84.7 | Confident | 83.6 | Confident | 96 Ų | 96 | 42.3 Ų | 42.3 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.5 | -41.6 | 177.3 | -169.7 | 163.7 | -8 | 0 | 0 | 112 | L194 D241 V242 I243 K248 S249 | L194-Q245 HydrophobicContact CD2-CB 4.45Å; L194-Q245 VanDerWaalsContact CD2-CD 3.45Å; L194-Q245 HydrophobicContact CD2-CG 4.26Å; D241-Q245 WeakPolarHBondContact O-CB 3.25Å; D241-Q245 PolarHBondContact O-N 3.31Å; V242-Q245 PolarHBondContact O-N 2.75Å; I243-Q245 VanDerWaalsContact C-N 3.29Å; I243-Q245 PolarHBondContact O-N 2.93Å; Q245-K248 PolarHBondContact O-N 3.43Å; Q245-S249 WeakPolarHBondContact O-CB 3.5Å; Q245-S249 PolarHBondContact O-N 3.43Å |
| 246 | G | 86.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V242 I243 K248 S249 Q256 | V242-G246 PolarHBondContact O-N 3.21Å; I243-G246 PolarHBondContact O-N 3.37Å; G246-K248 VanDerWaalsContact C-N 3.26Å; G246-K248 PolarHBondContact O-N 2.87Å; G246-S249 PolarHBondContact O-N 2.95Å; G246-S249 PolarHBondContact O-OG 3.34Å; G246-Q256 WeakPolarHBondContact O-CA 3.01Å; G246-Q256 WeakPolarHBondContact O-CB 3.48Å; G246-Q256 WeakPolarHBondContact O-CG 3.4Å |
| 247 | L | 85.2 | Confident | 84 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -33.5 | 173 | -67.6 | 176.7 | 0 | 0 | 0 | 111.7 | I243 Q256 T259 F260 V263 W280 I283 I284 | I243-L247 HydrophobicContact CG2-CD1 3.9Å; I243-L247 HydrophobicContact CG2-CG 4.21Å; I243-L247 WeakPolarHBondContact O-CB 3.47Å; I243-L247 VanDerWaalsContact O-CG 3.24Å; I243-L247 WeakPolarHBondContact O-CG 3.26Å; I243-L247 PolarHBondContact O-N 3.36Å; L247-Q256 PolarHBondContact O-NE2 2.79Å; L247-T259 HydrophobicContact CD2-CG2 3.88Å; L247-T259 HydrophobicContact CG-CG2 3.79Å; L247-F260 HydrophobicContact CD2-CD1 3.36Å; L247-F260 HydrophobicContact CD2-CE1 3.49Å; L247-F260 VanDerWaalsContact CD2-CE1 3.49Å; L247-V263 HydrophobicContact CD1-CG2 4.38Å; L247-V263 HydrophobicContact CD2-CG2 4.41Å; L247-W280 HydrophobicContact CD1-CB 4.03Å; L247-W280 HydrophobicContact CD1-CG 4.03Å; L247-I283 HydrophobicContact CB-CB 4.38Å; L247-I283 HydrophobicContact CB-CG2 3.54Å; L247-I284 HydrophobicContact CD2-CD1 4.39Å; L247-I284 HydrophobicContact CD2-CG1 3.94Å |
| 248 | K | 84.1 | Confident | 84.1 | Confident | 114 Ų | 114 | 39.9 Ų | 39.9 | 50% | 0.496 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -79.4 | -18.7 | 177.8 | -71.8 | 172.2 | -173.9 | 177.3 | 0 | 113.8 | K244 Q245 G246 T250 I283 | K244-K248 WeakPolarHBondContact O-CB 3.49Å; K244-K248 WeakPolarHBondContact O-CD 3.4Å; K244-K248 WeakPolarHBondContact O-CG 3.44Å; K244-K248 PolarHBondContact O-N 2.97Å; Q245-K248 PolarHBondContact O-N 3.43Å; G246-K248 VanDerWaalsContact C-N 3.26Å; G246-K248 PolarHBondContact O-N 2.87Å; K248-T250 VanDerWaalsContact C-N 3.32Å; K248-T250 PolarHBondContact O-N 2.92Å; K248-I283 HydrophobicContact CG-CG2 3.71Å |
| 249 | S | 80.5 | Confident | 84.4 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | trans | -80.2 | 72.4 | -171.4 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | Q245 G246 N251 I252 F255 | Q245-S249 WeakPolarHBondContact O-CB 3.5Å; Q245-S249 PolarHBondContact O-N 3.43Å; G246-S249 PolarHBondContact O-N 2.95Å; G246-S249 PolarHBondContact O-OG 3.34Å; S249-N251 PolarHBondContact O-N 2.96Å; S249-I252 PolarHBondContact O-N 3.09Å; S249-F255 VanDerWaalsContact OG-CD1 3.31Å; S249-F255 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 250 | T | 74.4 | Confident | 84.4 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 28% | 0.276 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.6 | 177.3 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | K248 I252 K287 R289 | K248-T250 VanDerWaalsContact C-N 3.32Å; K248-T250 PolarHBondContact O-N 2.92Å; T250-I252 VanDerWaalsContact C-N 3.29Å; T250-I252 PolarHBondContact O-N 3.34Å; T250-K287 HydrophobicContact CG2-CB 3.96Å; T250-K287 HydrophobicContact CG2-CD 4.35Å; T250-K287 WeakPolarHBondContact CG2-O 3.43Å; T250-R289 HydrophobicContact CG2-CG 4.48Å; T250-R289 WeakPolarHBondContact O-CD 3.4Å |
| 251 | N | 73.9 | Confident | 84.6 | Confident | 144 Ų | 144 | 39.5 Ų | 39.5 | 77% | 0.77 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -19.6 | -176.6 | -59.9 | 2 | 0 | 0 | 0 | 112.3 | S249 | S249-N251 PolarHBondContact O-N 2.96Š|
| 252 | I | 80.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 34 Ų | 34 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | trans | -117.1 | 84.7 | -174.3 | -51.1 | 177.2 | 0 | 0 | 0 | 108.9 | M197 L208 S249 T250 P254 F255 Q256 | M197-I252 HydrophobicContact CB-CD1 4.45Å; M197-I252 HydrophobicContact SD-CD1 3.63Å; M197-I252 HydrophobicContact SD-CG2 3.95Å; L208-I252 HydrophobicContact CD1-CD1 4.33Å; L208-I252 HydrophobicContact CD1-CG2 3.43Å; L208-I252 VanDerWaalsContact CD1-CG2 3.43Å; S249-I252 PolarHBondContact O-N 3.09Å; T250-I252 VanDerWaalsContact C-N 3.29Å; T250-I252 PolarHBondContact O-N 3.34Å; I252-P254 HydrophobicContact CG2-CG 4.35Å; I252-F255 HydrophobicContact CB-CB 4.36Å; I252-F255 HydrophobicContact CG2-CB 3.8Å; I252-F255 PolarHBondContact O-N 3.37Å; I252-Q256 PolarHBondContact O-N 2.86Å; I252-Q256 VanDerWaalsContact O-N 3.16Å | ||
| 253 | A | 82.3 | Confident | 84.9 | Confident | 34 Ų | 34 | 33.9 Ų | 33.9 | 28% | 0.281 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -48.2 | -52.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F255 Q256 C257 R289 | A253-F255 VanDerWaalsContact C-N 3.34Å; A253-F255 PolarHBondContact O-N 3.03Å; A253-Q256 PolarHBondContact O-N 3.22Å; A253-C257 WeakPolarHBondContact O-CB 3.29Å; A253-C257 PolarHBondContact O-N 3.29Å; A253-C257 PolarHBondContact O-SG 3.45Å; A253-R289 PolarHBondContact O-NH2 2.9Å |
| 254 | P | 83.2 | Confident | 84.9 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.3 | -33.3 | -175.1 | 23.8 | -32.3 | 0 | 0 | 0 | 113.1 | P205 L208 N209 I252 A258 | P205-P254 HydrophobicContact CB-CG 4.42Å; P205-P254 VanDerWaalsContact O-CG 3.32Å; P205-P254 WeakPolarHBondContact O-CG 2.94Å; L208-P254 HydrophobicContact CB-CG 4.44Å; N209-P254 WeakPolarHBondContact OD1-CB 3.4Å; I252-P254 HydrophobicContact CG2-CG 4.35Å; P254-A258 VanDerWaalsContact O-CB 3.29Å; P254-A258 WeakPolarHBondContact O-CB 3.42Å; P254-A258 PolarHBondContact O-N 3.45Å |
| 255 | F | 86.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.6 | -42.6 | 177.8 | -177.3 | -140.7 | 0 | 0 | 0 | 111.9 | I193 M197 T212 V242 S249 I252 A253 A258 T259 | I193-F255 HydrophobicContact CG2-CD2 4.1Å; I193-F255 HydrophobicContact CG2-CE2 3.55Å; I193-F255 HydrophobicContact CG2-CZ 3.93Å; M197-F255 HydrophobicContact CE-CB 3.7Å; M197-F255 HydrophobicContact CE-CD1 4.01Å; M197-F255 HydrophobicContact CE-CD2 3.95Å; M197-F255 HydrophobicContact CE-CG 3.63Å; M197-F255 HydrophobicContact CG-CD1 3.95Å; M197-F255 HydrophobicContact CG-CE1 4.01Å; M197-F255 HydrophobicContact CG-CG 4.49Å; M197-F255 HydrophobicContact SD-CB 3.83Å; M197-F255 HydrophobicContact SD-CD1 3.53Å; M197-F255 VanDerWaalsContact SD-CD1 3.53Å; M197-F255 HydrophobicContact SD-CE1 4.22Å; M197-F255 HydrophobicContact SD-CG 3.74Å; T212-F255 HydrophobicContact CG2-CB 3.89Å; T212-F255 HydrophobicContact CG2-CD2 4.19Å; T212-F255 HydrophobicContact CG2-CG 4.47Å; V242-F255 HydrophobicContact CG1-CE2 4.09Å; V242-F255 HydrophobicContact CG1-CZ 3.89Å; S249-F255 VanDerWaalsContact OG-CD1 3.31Å; S249-F255 WeakPolarHBondContact OG-CD1 3.45Å; I252-F255 HydrophobicContact CB-CB 4.36Å; I252-F255 HydrophobicContact CG2-CB 3.8Å; I252-F255 PolarHBondContact O-N 3.37Å; A253-F255 VanDerWaalsContact C-N 3.34Å; A253-F255 PolarHBondContact O-N 3.03Å; F255-A258 PolarHBondContact O-N 2.94Å; F255-T259 WeakPolarHBondContact O-CB 3.34Å; F255-T259 PolarHBondContact O-N 3.42Å; F255-T259 PolarHBondContact O-OG1 3.07Å |
| 256 | Q | 87.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.5 | -167.8 | -175 | 47.8 | 0 | 0 | 111.2 | G246 L247 I252 A253 T259 F260 K287 R289 | G246-Q256 WeakPolarHBondContact O-CA 3.01Å; G246-Q256 WeakPolarHBondContact O-CB 3.48Å; G246-Q256 WeakPolarHBondContact O-CG 3.4Å; L247-Q256 PolarHBondContact O-NE2 2.79Å; I252-Q256 PolarHBondContact O-N 2.86Å; I252-Q256 VanDerWaalsContact O-N 3.16Å; A253-Q256 PolarHBondContact O-N 3.22Å; Q256-T259 PolarHBondContact O-N 3.05Å; Q256-F260 HydrophobicContact CG-CD2 4.35Å; Q256-F260 HydrophobicContact CG-CE1 3.95Å; Q256-F260 HydrophobicContact CG-CE2 3.71Å; Q256-F260 HydrophobicContact CG-CZ 3.48Å; Q256-F260 VanDerWaalsContact CG-CZ 3.48Å; Q256-F260 WeakPolarHBondContact O-CD2 3.46Å; Q256-F260 WeakPolarHBondContact O-CG 3.5Å; Q256-F260 PolarHBondContact O-N 3.08Å; Q256-K287 PolarHBondContact NE2-O 3.49Å; Q256-R289 VanDerWaalsContact OE1-CZ 3.27Å |
| 257 | C | 86.5 | Confident | 84.9 | Confident | 56 Ų | 56 | 32 Ų | 32 | 38% | 0.378 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | A253 T259 F260 L261 R289 | A253-C257 WeakPolarHBondContact O-CB 3.29Å; A253-C257 PolarHBondContact O-N 3.29Å; A253-C257 PolarHBondContact O-SG 3.45Å; C257-T259 PolarHBondContact O-N 3.02Å; C257-F260 PolarHBondContact O-N 3.38Å; C257-L261 WeakPolarHBondContact O-CG 3.37Å; C257-L261 PolarHBondContact O-N 3.25Å; C257-L261 VanDerWaalsContact O-N 3.08Å; C257-R289 PolarHBondContact SG-NH2 2.92Å |
| 258 | A | 88.1 | Confident | 84.9 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L216 P254 F255 L261 V262 | L216-A258 HydrophobicContact CB-CB 4.37Å; P254-A258 VanDerWaalsContact O-CB 3.29Å; P254-A258 WeakPolarHBondContact O-CB 3.42Å; P254-A258 PolarHBondContact O-N 3.45Å; F255-A258 PolarHBondContact O-N 2.94Å; A258-L261 PolarHBondContact O-N 2.82Å; A258-V262 WeakPolarHBondContact O-CB 3.42Å; A258-V262 VanDerWaalsContact O-CG2 3.29Å; A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.27Å |
| 259 | T | 89.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 178.5 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | I243 L247 F255 Q256 C257 L261 V262 V263 | I243-T259 HydrophobicContact CB-CG2 4.2Å; I243-T259 HydrophobicContact CG1-CG2 4.38Å; I243-T259 HydrophobicContact CG2-CG2 3.92Å; I243-T259 WeakPolarHBondContact O-CG2 3.42Å; L247-T259 HydrophobicContact CD2-CG2 3.88Å; L247-T259 HydrophobicContact CG-CG2 3.79Å; F255-T259 WeakPolarHBondContact O-CB 3.34Å; F255-T259 PolarHBondContact O-N 3.42Å; F255-T259 PolarHBondContact O-OG1 3.07Å; Q256-T259 PolarHBondContact O-N 3.05Å; C257-T259 PolarHBondContact O-N 3.02Å; T259-L261 VanDerWaalsContact C-N 3.34Å; T259-L261 PolarHBondContact O-N 3.42Å; T259-V262 WeakPolarHBondContact O-CB 3.25Å; T259-V262 PolarHBondContact O-N 2.83Å; T259-V263 WeakPolarHBondContact O-CG2 3.33Å; T259-V263 PolarHBondContact O-N 3.49Å |
| 260 | F | 88.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 172.2 | -67.7 | -30.4 | 0 | 0 | 0 | 111.8 | L247 Q256 C257 V263 I264 I284 I299 | L247-F260 HydrophobicContact CD2-CD1 3.36Å; L247-F260 HydrophobicContact CD2-CE1 3.49Å; L247-F260 VanDerWaalsContact CD2-CE1 3.49Å; Q256-F260 HydrophobicContact CG-CD2 4.35Å; Q256-F260 HydrophobicContact CG-CE1 3.95Å; Q256-F260 HydrophobicContact CG-CE2 3.71Å; Q256-F260 HydrophobicContact CG-CZ 3.48Å; Q256-F260 VanDerWaalsContact CG-CZ 3.48Å; Q256-F260 WeakPolarHBondContact O-CD2 3.46Å; Q256-F260 WeakPolarHBondContact O-CG 3.5Å; Q256-F260 PolarHBondContact O-N 3.08Å; C257-F260 PolarHBondContact O-N 3.38Å; F260-V263 PolarHBondContact O-N 2.82Å; F260-I264 WeakPolarHBondContact O-CG1 3.47Å; F260-I264 PolarHBondContact O-N 2.78Å; F260-I284 HydrophobicContact CD1-CG1 4.28Å; F260-I284 HydrophobicContact CE1-CG1 3.84Å; F260-I284 HydrophobicContact CE1-CG2 4.29Å; F260-I299 HydrophobicContact CB-CD1 3.68Å; F260-I299 HydrophobicContact CD1-CD1 4.26Å; F260-I299 HydrophobicContact CD2-CD1 3.6Å; F260-I299 HydrophobicContact CE2-CD1 4.23Å; F260-I299 HydrophobicContact CG-CD1 3.61Å |
| 261 | L | 89.2 | Confident | 85.1 | Confident | 92 Ų | 92 | 39.5 Ų | 39.5 | 48% | 0.482 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66 | -37.6 | 177.5 | -67.6 | 174.7 | 0 | 0 | 0 | 112.2 | L216 C257 A258 T259 I264 R265 | L216-L261 HydrophobicContact CD1-CB 3.62Å; L216-L261 HydrophobicContact CD2-CB 4.27Å; L216-L261 HydrophobicContact CD2-CD1 3.66Å; C257-L261 WeakPolarHBondContact O-CG 3.37Å; C257-L261 PolarHBondContact O-N 3.25Å; C257-L261 VanDerWaalsContact O-N 3.08Å; A258-L261 PolarHBondContact O-N 2.82Å; T259-L261 VanDerWaalsContact C-N 3.34Å; T259-L261 PolarHBondContact O-N 3.42Å; L261-I264 PolarHBondContact O-N 3.45Å; L261-R265 WeakPolarHBondContact O-CB 3.28Å; L261-R265 PolarHBondContact O-N 3.4Å |
| 262 | V | 89.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 173.3 | 158.4 | 0 | 0 | 0 | 0 | 111.2 | F215 L216 V219 I243 A258 T259 I264 R265 F266 | F215-V262 HydrophobicContact CD1-CG2 4.26Å; F215-V262 HydrophobicContact CE1-CB 4.47Å; F215-V262 HydrophobicContact CE1-CG2 3.81Å; F215-V262 HydrophobicContact CZ-CG1 4.28Å; F215-V262 HydrophobicContact CZ-CG2 4.13Å; L216-V262 HydrophobicContact CD1-CG2 3.88Å; V219-V262 HydrophobicContact CB-CG2 3.93Å; V219-V262 HydrophobicContact CG1-CB 4.37Å; V219-V262 HydrophobicContact CG1-CG1 3.96Å; V219-V262 HydrophobicContact CG1-CG2 3.98Å; V219-V262 HydrophobicContact CG2-CG1 4.45Å; V219-V262 HydrophobicContact CG2-CG2 4.04Å; I243-V262 HydrophobicContact CD1-CG1 4.08Å; I243-V262 HydrophobicContact CG1-CG1 4.15Å; A258-V262 WeakPolarHBondContact O-CB 3.42Å; A258-V262 VanDerWaalsContact O-CG2 3.29Å; A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.27Å; T259-V262 WeakPolarHBondContact O-CB 3.25Å; T259-V262 PolarHBondContact O-N 2.83Å; V262-I264 PolarHBondContact O-N 3.27Å; V262-R265 PolarHBondContact O-N 3.24Å; V262-F266 HydrophobicContact CG1-CD2 3.71Å; V262-F266 HydrophobicContact CG1-CE2 3.6Å; V262-F266 VanDerWaalsContact O-CD2 3.3Å; V262-F266 WeakPolarHBondContact O-CD2 3.4Å; V262-F266 PolarHBondContact O-N 3.01Å |
| 263 | V | 88.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 178.5 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | I243 L247 T259 F260 R265 F266 S267 W280 L303 | I243-V263 HydrophobicContact CG2-CG2 3.53Å; L247-V263 HydrophobicContact CD1-CG2 4.38Å; L247-V263 HydrophobicContact CD2-CG2 4.41Å; T259-V263 WeakPolarHBondContact O-CG2 3.33Å; T259-V263 PolarHBondContact O-N 3.49Å; F260-V263 PolarHBondContact O-N 2.82Å; V263-R265 VanDerWaalsContact C-N 3.34Å; V263-R265 PolarHBondContact O-N 2.86Å; V263-F266 PolarHBondContact O-N 3.29Å; V263-S267 WeakPolarHBondContact O-CB 3.3Å; V263-S267 PolarHBondContact O-N 3.19Å; V263-W280 HydrophobicContact CG1-CD2 4.3Å; V263-W280 HydrophobicContact CG1-CE3 3.57Å; V263-W280 HydrophobicContact CG1-CZ3 3.95Å; V263-W280 HydrophobicContact CG2-CD2 4.37Å; V263-W280 HydrophobicContact CG2-CE3 4.26Å; V263-W280 HydrophobicContact CG2-CZ3 4.48Å; V263-L303 HydrophobicContact CG1-CD1 3.8Å; V263-L303 HydrophobicContact CG1-CD2 3.59Å; V263-L303 HydrophobicContact CG1-CG 4.28Å |
| 264 | I | 87.9 | Confident | 85.2 | Confident | 32 Ų | 32 | 40 Ų | 40 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 173.6 | -69.8 | 165.6 | 0 | 0 | 0 | 110.5 | F260 L261 V262 F266 S267 L268 I299 Q302 | F260-I264 WeakPolarHBondContact O-CG1 3.47Å; F260-I264 PolarHBondContact O-N 2.78Å; L261-I264 PolarHBondContact O-N 3.45Å; V262-I264 PolarHBondContact O-N 3.27Å; I264-F266 PolarHBondContact O-N 3.44Å; I264-S267 WeakPolarHBondContact CA-OG 3.41Å; I264-S267 PolarHBondContact O-N 3.13Å; I264-S267 VanDerWaalsContact O-N 3.14Å; I264-S267 PolarHBondContact O-OG 3.44Å; I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 HydrophobicContact CG2-CG 4.33Å; I264-L268 WeakPolarHBondContact O-CG 3.49Å; I264-L268 PolarHBondContact O-N 2.89Å; I264-I299 HydrophobicContact CD1-CB 4.29Å; I264-I299 HydrophobicContact CD1-CG1 3.77Å; I264-I299 HydrophobicContact CD1-CG2 4.02Å; I264-I299 HydrophobicContact CG1-CG2 4.08Å; I264-Q302 HydrophobicContact CG2-CG 4.43Å |
| 265 | R | 87.8 | Confident | 84.8 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 25% | 0.249 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | -178.1 | -171.6 | 71.3 | -168.8 | 135.9 | -1.2 | 112 | T220 C223 D224 L261 V262 V263 L268 | T220-R265 HydrophobicContact CG2-CG 4.13Å; C223-R265 HydrophobicContact CB-CG 3.91Å; D224-R265 IonicContact OD1-CZ 3.95Å; D224-R265 IonicContact OD1-NE 3.15Å; D224-R265 IonicContact OD1-NH2 2.83Å; D224-R265 PolarHBondContact OD1-NH2 2.87Å; L261-R265 WeakPolarHBondContact O-CB 3.28Å; L261-R265 PolarHBondContact O-N 3.4Å; V262-R265 PolarHBondContact O-N 3.24Å; V263-R265 VanDerWaalsContact C-N 3.34Å; V263-R265 PolarHBondContact O-N 2.86Å; R265-L268 PolarHBondContact O-N 2.75Å |
| 266 | F | 87.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 173.4 | -79.7 | -59.8 | 0 | 0 | 0 | 111.5 | V219 L232 L236 F239 I243 V262 V263 I264 L268 K269 L270 I272 | V219-F266 HydrophobicContact CG1-CD2 4.22Å; V219-F266 HydrophobicContact CG1-CE1 4.37Å; V219-F266 HydrophobicContact CG1-CE2 3.58Å; V219-F266 HydrophobicContact CG1-CZ 3.67Å; L232-F266 HydrophobicContact CD1-CE1 3.94Å; L232-F266 HydrophobicContact CG-CD1 4.49Å; L232-F266 HydrophobicContact CG-CE1 4.18Å; L236-F266 HydrophobicContact CB-CE1 4.39Å; L236-F266 HydrophobicContact CD1-CD1 4.28Å; L236-F266 HydrophobicContact CD1-CD2 3.71Å; L236-F266 HydrophobicContact CD1-CE1 4.37Å; L236-F266 HydrophobicContact CD1-CE2 3.8Å; L236-F266 HydrophobicContact CD1-CG 3.97Å; L236-F266 HydrophobicContact CD1-CZ 4.14Å; F239-F266 HydrophobicContact CD2-CZ 4.25Å; I243-F266 HydrophobicContact CD1-CD2 4.36Å; I243-F266 HydrophobicContact CD1-CE2 4.16Å; V262-F266 HydrophobicContact CG1-CD2 3.71Å; V262-F266 HydrophobicContact CG1-CE2 3.6Å; V262-F266 VanDerWaalsContact O-CD2 3.3Å; V262-F266 WeakPolarHBondContact O-CD2 3.4Å; V262-F266 PolarHBondContact O-N 3.01Å; V263-F266 PolarHBondContact O-N 3.29Å; I264-F266 PolarHBondContact O-N 3.44Å; F266-L268 VanDerWaalsContact C-N 3.25Å; F266-L268 PolarHBondContact O-N 2.89Å; F266-K269 PolarHBondContact O-N 3.26Å; F266-L270 HydrophobicContact CD1-CD1 4.16Å; F266-L270 PolarHBondContact O-N 3.39Å; F266-I272 HydrophobicContact CB-CD1 4.3Å |
| 267 | S | 83.8 | Confident | 84.4 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -29.8 | 180 | 79 | 0 | 0 | 0 | 0 | 113.8 | V263 I264 K269 L303 N306 Q307 | V263-S267 WeakPolarHBondContact O-CB 3.3Å; V263-S267 PolarHBondContact O-N 3.19Å; I264-S267 WeakPolarHBondContact CA-OG 3.41Å; I264-S267 PolarHBondContact O-N 3.13Å; I264-S267 VanDerWaalsContact O-N 3.14Å; I264-S267 PolarHBondContact O-OG 3.44Å; S267-K269 VanDerWaalsContact C-N 3.27Å; S267-K269 PolarHBondContact O-N 3.26Å; S267-L303 VanDerWaalsContact CB-CD2 3.46Å; S267-N306 PolarHBondContact OG-ND2 3.06Å; S267-Q307 VanDerWaalsContact CA-NE2 3.27Å; S267-Q307 PolarHBondContact O-NE2 2.74Å |
| 268 | L | 84.9 | Confident | 84.2 | Confident | 93 Ų | 93 | 47 Ų | 47 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.1 | -21.1 | 176.4 | -74.6 | 169 | 0 | 0 | 0 | 112.7 | I264 R265 F266 N306 | I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 HydrophobicContact CG2-CG 4.33Å; I264-L268 WeakPolarHBondContact O-CG 3.49Å; I264-L268 PolarHBondContact O-N 2.89Å; R265-L268 PolarHBondContact O-N 2.75Å; F266-L268 VanDerWaalsContact C-N 3.25Å; F266-L268 PolarHBondContact O-N 2.89Å; L268-N306 WeakPolarHBondContact CD2-ND2 3.45Å; L268-N306 WeakPolarHBondContact CG-ND2 3.45Å |
| 269 | K | 81.9 | Confident | 84 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -110.5 | -28.4 | -172.3 | -167.3 | 60.6 | 175.9 | 177.3 | 0 | 113.7 | L232 F266 S267 | L232-K269 HydrophobicContact CD2-CG 3.94Å; F266-K269 PolarHBondContact O-N 3.26Å; S267-K269 VanDerWaalsContact C-N 3.27Å; S267-K269 PolarHBondContact O-N 3.26Å |
| 270 | L | 82.9 | Confident | 84 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | trans | -122.6 | 145.9 | -175.2 | -65.9 | 175.3 | 0 | 0 | 0 | 111.2 | E229 L232 L233 L236 F266 I272 Q307 | E229-L270 HydrophobicContact CB-CD2 3.93Å; E229-L270 HydrophobicContact CG-CD2 4.06Å; L232-L270 HydrophobicContact CB-CD1 4.34Å; L232-L270 HydrophobicContact CB-CD2 4.34Å; L232-L270 HydrophobicContact CD2-CD1 3.89Å; L232-L270 HydrophobicContact CD2-CD2 3.95Å; L232-L270 HydrophobicContact CD2-CG 3.84Å; L232-L270 HydrophobicContact CG-CD1 3.86Å; L232-L270 HydrophobicContact CG-CD2 4.42Å; L232-L270 HydrophobicContact CG-CG 4.34Å; L233-L270 HydrophobicContact CD2-CD1 4.02Å; L233-L270 HydrophobicContact CG-CD1 4.36Å; L233-L270 HydrophobicContact CG-CD2 4.37Å; L236-L270 HydrophobicContact CD2-CD1 4.28Å; F266-L270 HydrophobicContact CD1-CD1 4.16Å; F266-L270 PolarHBondContact O-N 3.39Å; L270-I272 HydrophobicContact CB-CG1 3.97Å; L270-Q307 PolarHBondContact O-NE2 3.2Å | ||
| 271 | I | 78.2 | Confident | 83.9 | Confident | 142 Ų | 142 | 48.9 Ų | 48.9 | 73% | 0.728 | 24% | 0.24 | S | C | * | . | trans | -90.6 | 106.4 | 163.2 | -57.8 | 170.8 | 0 | 0 | 0 | 106.4 | ||||
| 272 | I | 80.6 | Confident | 83.7 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | trans | -94 | 153.1 | -172.1 | -55 | 170.5 | 0 | 0 | 0 | 108.8 | L236 F266 L270 Q274 L276 V277 W280 | L236-I272 HydrophobicContact CD2-CD1 4.09Å; L236-I272 HydrophobicContact CD2-CG1 4.25Å; L236-I272 HydrophobicContact CD2-CG2 4.42Å; F266-I272 HydrophobicContact CB-CD1 4.3Å; L270-I272 HydrophobicContact CB-CG1 3.97Å; I272-Q274 PolarHBondContact O-N 2.96Å; I272-L276 HydrophobicContact CG2-CB 4.14Å; I272-L276 HydrophobicContact CG2-CD1 4.31Å; I272-V277 HydrophobicContact CB-CG2 3.78Å; I272-V277 HydrophobicContact CG2-CG2 3.9Å; I272-W280 HydrophobicContact CD1-CH2 3.84Å; I272-W280 HydrophobicContact CD1-CZ3 3.63Å | ||
| 273 | N | 79.6 | Confident | 83.5 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | trans | -54.6 | 126.2 | 173.3 | -175.1 | -0.1 | 0 | 0 | 0 | 110.1 | E275 L276 V277 | N273-E275 PolarHBondContact O-N 3.03Å; N273-E275 VanDerWaalsContact O-N 3.14Å; N273-E275 PolarHBondContact OD1-N 3.08Å; N273-L276 HydrophobicContact CB-CD1 4.26Å; N273-L276 HydrophobicContact CB-CG 4.42Å; N273-L276 PolarHBondContact O-N 3.48Å; N273-V277 PolarHBondContact O-N 3.46Å | ||
| 274 | Q | 76.8 | Confident | 83.4 | Confident | 107 Ų | 107 | 45.6 Ų | 45.6 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.3 | -36.4 | -175.8 | -70.7 | -178.6 | -17.3 | 0 | 0 | 112 | I272 L276 V277 L278 | I272-Q274 PolarHBondContact O-N 2.96Å; Q274-L276 PolarHBondContact O-N 3.23Å; Q274-V277 PolarHBondContact O-N 3.46Å; Q274-L278 WeakPolarHBondContact O-CB 3.5Å; Q274-L278 WeakPolarHBondContact O-CG 3.48Å; Q274-L278 PolarHBondContact O-N 3.24Å |
| 275 | E | 75.7 | Confident | 83.3 | Confident | 146 Ų | 146 | 44.6 Ų | 44.6 | 68% | 0.682 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.1 | -40.3 | 178.3 | -64 | -178.1 | 169.1 | 0 | 0 | 113.1 | N273 L278 D279 | N273-E275 PolarHBondContact O-N 3.03Å; N273-E275 VanDerWaalsContact O-N 3.14Å; N273-E275 PolarHBondContact OD1-N 3.08Å; E275-L278 PolarHBondContact O-N 2.91Å; E275-D279 WeakPolarHBondContact O-CB 3.2Å; E275-D279 PolarHBondContact O-N 3.36Å |
| 276 | L | 80.5 | Confident | 83.1 | Confident | 42 Ų | 42 | 47.1 Ų | 47.1 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.8 | -69.7 | 174.2 | 0 | 0 | 0 | 111.3 | I272 N273 Q274 L278 D279 W280 | I272-L276 HydrophobicContact CG2-CB 4.14Å; I272-L276 HydrophobicContact CG2-CD1 4.31Å; N273-L276 HydrophobicContact CB-CD1 4.26Å; N273-L276 HydrophobicContact CB-CG 4.42Å; N273-L276 PolarHBondContact O-N 3.48Å; Q274-L276 PolarHBondContact O-N 3.23Å; L276-L278 VanDerWaalsContact C-N 3.35Å; L276-D279 PolarHBondContact O-N 3.02Å; L276-W280 PolarHBondContact O-N 3.13Å |
| 277 | V | 84.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | I272 N273 Q274 D279 W280 I281 Q307 I309 | I272-V277 HydrophobicContact CB-CG2 3.78Å; I272-V277 HydrophobicContact CG2-CG2 3.9Å; N273-V277 PolarHBondContact O-N 3.46Å; Q274-V277 PolarHBondContact O-N 3.46Å; V277-D279 VanDerWaalsContact C-N 3.34Å; V277-D279 PolarHBondContact O-N 2.96Å; V277-W280 PolarHBondContact O-N 3.22Å; V277-I281 HydrophobicContact CG1-CD1 3.92Å; V277-I281 HydrophobicContact CG1-CG1 4.46Å; V277-I281 VanDerWaalsContact O-CG1 3.28Å; V277-I281 WeakPolarHBondContact O-CG1 3.43Å; V277-I281 PolarHBondContact O-N 3.5Å; V277-Q307 HydrophobicContact CG1-CB 4.31Å; V277-Q307 HydrophobicContact CG1-CG 4.05Å; V277-Q307 HydrophobicContact CG2-CB 4.44Å; V277-Q307 HydrophobicContact CG2-CG 3.92Å; V277-I309 HydrophobicContact CB-CD1 4.07Å; V277-I309 HydrophobicContact CG1-CD1 3.6Å |
| 278 | L | 83.7 | Confident | 82.7 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 175.2 | -68.9 | 172.1 | 0 | 0 | 0 | 111.9 | Q274 E275 L276 I281 S282 L312 P313 L316 | Q274-L278 WeakPolarHBondContact O-CB 3.5Å; Q274-L278 WeakPolarHBondContact O-CG 3.48Å; Q274-L278 PolarHBondContact O-N 3.24Å; E275-L278 PolarHBondContact O-N 2.91Å; L276-L278 VanDerWaalsContact C-N 3.35Å; L278-I281 PolarHBondContact O-N 3.42Å; L278-S282 WeakPolarHBondContact O-CB 3.46Å; L278-S282 PolarHBondContact O-N 2.88Å; L278-L312 HydrophobicContact CD2-CD2 3.95Å; L278-P313 HydrophobicContact CD1-CG 4.07Å; L278-P313 HydrophobicContact CD2-CG 4.09Å; L278-L316 HydrophobicContact CB-CD1 4.28Å; L278-L316 HydrophobicContact CD2-CD1 3.9Å |
| 279 | D | 83.1 | Confident | 82.6 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 172.4 | -172.7 | 28.4 | 0 | 0 | 0 | 110.9 | K244 E275 L276 V277 I281 S282 I283 | K244-D279 VanDerWaalsContact CE-OD2 3.24Å; K244-D279 WeakPolarHBondContact CE-OD2 3.39Å; K244-D279 IonicContact NZ-OD2 2.76Å; K244-D279 PolarHBondContact NZ-OD2 3.12Å; E275-D279 WeakPolarHBondContact O-CB 3.2Å; E275-D279 PolarHBondContact O-N 3.36Å; L276-D279 PolarHBondContact O-N 3.02Å; V277-D279 VanDerWaalsContact C-N 3.34Å; V277-D279 PolarHBondContact O-N 2.96Å; D279-I281 PolarHBondContact O-N 2.96Å; D279-S282 WeakPolarHBondContact O-CB 3.42Å; D279-S282 PolarHBondContact O-N 3.15Å; D279-S282 VanDerWaalsContact O-N 3.13Å; D279-S282 PolarHBondContact O-OG 2.7Å; D279-I283 WeakPolarHBondContact O-CG1 3.47Å; D279-I283 PolarHBondContact O-N 3.49Å |
| 280 | W | 88.7 | Confident | 82.1 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.3 | -66.1 | -16 | 0 | 0 | 0 | 112.7 | L236 I243 L247 V263 I272 L276 V277 S282 I283 I284 | L236-W280 HydrophobicContact CD1-CH2 3.87Å; L236-W280 HydrophobicContact CD1-CZ2 4.08Å; L236-W280 HydrophobicContact CD2-CH2 4.17Å; I243-W280 HydrophobicContact CD1-CZ2 4.44Å; I243-W280 HydrophobicContact CG2-CZ2 4.36Å; L247-W280 HydrophobicContact CD1-CB 4.03Å; L247-W280 HydrophobicContact CD1-CG 4.03Å; V263-W280 HydrophobicContact CG1-CD2 4.3Å; V263-W280 HydrophobicContact CG1-CE3 3.57Å; V263-W280 HydrophobicContact CG1-CZ3 3.95Å; V263-W280 HydrophobicContact CG2-CD2 4.37Å; V263-W280 HydrophobicContact CG2-CE3 4.26Å; V263-W280 HydrophobicContact CG2-CZ3 4.48Å; I272-W280 HydrophobicContact CD1-CH2 3.84Å; I272-W280 HydrophobicContact CD1-CZ3 3.63Å; L276-W280 PolarHBondContact O-N 3.13Å; V277-W280 PolarHBondContact O-N 3.22Å; W280-S282 PolarHBondContact O-N 3.21Å; W280-I283 PolarHBondContact O-N 3.48Å; W280-I283 VanDerWaalsContact O-N 3.1Å; W280-I284 VanDerWaalsContact O-CG1 3.23Å; W280-I284 WeakPolarHBondContact O-CG1 3.19Å; W280-I284 PolarHBondContact O-N 2.97Å |
| 281 | I | 86.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 174.9 | -69.3 | 168.5 | 0 | 0 | 0 | 109.9 | V277 L278 D279 I283 I284 L285 V300 L303 M304 L312 | V277-I281 HydrophobicContact CG1-CD1 3.92Å; V277-I281 HydrophobicContact CG1-CG1 4.46Å; V277-I281 VanDerWaalsContact O-CG1 3.28Å; V277-I281 WeakPolarHBondContact O-CG1 3.43Å; V277-I281 PolarHBondContact O-N 3.5Å; L278-I281 PolarHBondContact O-N 3.42Å; D279-I281 PolarHBondContact O-N 2.96Å; I281-I283 VanDerWaalsContact C-N 3.31Å; I281-I283 PolarHBondContact O-N 3.26Å; I281-I284 PolarHBondContact O-N 3.26Å; I281-L285 HydrophobicContact CG2-CD1 3.73Å; I281-L285 HydrophobicContact CG2-CG 4.21Å; I281-L285 WeakPolarHBondContact O-CB 3.47Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.4Å; I281-L285 PolarHBondContact O-N 2.87Å; I281-V300 HydrophobicContact CD1-CG1 4.47Å; I281-V300 HydrophobicContact CG1-CG1 4.37Å; I281-V300 HydrophobicContact CG2-CG1 3.89Å; I281-V300 HydrophobicContact CG2-CG2 4.17Å; I281-L303 HydrophobicContact CG1-CD1 4.4Å; I281-M304 HydrophobicContact CD1-CG 4.39Å; I281-L312 HydrophobicContact CD1-CD2 4.22Å; I281-L312 HydrophobicContact CG2-CD2 3.92Å |
| 282 | S | 85.9 | Confident | 81.6 | Confident | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.9 | 92.7 | 0 | 0 | 0 | 0 | 112.5 | L278 D279 W280 K286 | L278-S282 WeakPolarHBondContact O-CB 3.46Å; L278-S282 PolarHBondContact O-N 2.88Å; D279-S282 WeakPolarHBondContact O-CB 3.42Å; D279-S282 PolarHBondContact O-N 3.15Å; D279-S282 VanDerWaalsContact O-N 3.13Å; D279-S282 PolarHBondContact O-OG 2.7Å; W280-S282 PolarHBondContact O-N 3.21Å; S282-K286 VanDerWaalsContact O-CB 3.29Å; S282-K286 WeakPolarHBondContact O-CB 3.27Å; S282-K286 WeakPolarHBondContact O-CD 3.28Å; S282-K286 WeakPolarHBondContact O-CG 3.48Å; S282-K286 PolarHBondContact O-N 2.83Å; S282-K286 VanDerWaalsContact O-N 3.07Å |
| 283 | I | 85.5 | Confident | 81.7 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.8 | -45.9 | 178.2 | -63.7 | 165.8 | 0 | 0 | 0 | 109.9 | K244 L247 K248 D279 W280 I281 L285 K286 K287 | K244-I283 HydrophobicContact CB-CD1 4.45Å; K244-I283 HydrophobicContact CG-CD1 4.07Å; L247-I283 HydrophobicContact CB-CB 4.38Å; L247-I283 HydrophobicContact CB-CG2 3.54Å; K248-I283 HydrophobicContact CG-CG2 3.71Å; D279-I283 WeakPolarHBondContact O-CG1 3.47Å; D279-I283 PolarHBondContact O-N 3.49Å; W280-I283 PolarHBondContact O-N 3.48Å; W280-I283 VanDerWaalsContact O-N 3.1Å; I281-I283 VanDerWaalsContact C-N 3.31Å; I281-I283 PolarHBondContact O-N 3.26Å; I283-L285 PolarHBondContact O-N 3.32Å; I283-K286 PolarHBondContact O-N 2.85Å; I283-K287 WeakPolarHBondContact O-CB 3.47Å; I283-K287 PolarHBondContact O-N 3.06Å |
| 284 | I | 86.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.2 | -51.6 | 178.1 | -66 | 162.8 | 0 | 0 | 0 | 109.8 | L247 F260 W280 I281 K286 K287 T288 I299 V300 L303 | L247-I284 HydrophobicContact CD2-CD1 4.39Å; L247-I284 HydrophobicContact CD2-CG1 3.94Å; F260-I284 HydrophobicContact CD1-CG1 4.28Å; F260-I284 HydrophobicContact CE1-CG1 3.84Å; F260-I284 HydrophobicContact CE1-CG2 4.29Å; W280-I284 VanDerWaalsContact O-CG1 3.23Å; W280-I284 WeakPolarHBondContact O-CG1 3.19Å; W280-I284 PolarHBondContact O-N 2.97Å; I281-I284 PolarHBondContact O-N 3.26Å; I284-K286 VanDerWaalsContact C-N 3.34Å; I284-K286 PolarHBondContact O-N 3.35Å; I284-K287 CarbonylContact O-C 3.59Å; I284-K287 PolarHBondContact O-N 3.07Å; I284-T288 PolarHBondContact O-N 2.87Å; I284-T288 VanDerWaalsContact O-N 3.08Å; I284-T288 PolarHBondContact O-OG1 3.44Å; I284-I299 HydrophobicContact CD1-CG2 4.16Å; I284-V300 HydrophobicContact CB-CG2 4.49Å; I284-V300 HydrophobicContact CG2-CG2 4Å; I284-L303 HydrophobicContact CD1-CD1 3.89Å |
| 285 | L | 85.1 | Confident | 82.1 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -33.2 | -179.8 | -67.5 | 175 | 0 | 0 | 0 | 112.9 | I281 I283 V300 R319 Q320 | I281-L285 HydrophobicContact CG2-CD1 3.73Å; I281-L285 HydrophobicContact CG2-CG 4.21Å; I281-L285 WeakPolarHBondContact O-CB 3.47Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.4Å; I281-L285 PolarHBondContact O-N 2.87Å; I283-L285 PolarHBondContact O-N 3.32Å; L285-V300 HydrophobicContact CD2-CG2 4.26Å; L285-V300 HydrophobicContact CG-CG2 4.42Å; L285-R319 HydrophobicContact CB-CB 4.4Å; L285-R319 HydrophobicContact CD1-CB 4.35Å; L285-Q320 HydrophobicContact CD1-CB 4.29Å; L285-Q320 HydrophobicContact CD2-CB 4.43Å |
| 286 | K | 83.9 | Confident | 82.4 | Confident | 118 Ų | 118 | 41.3 Ų | 41.3 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77 | -30.2 | 177.3 | -77.9 | 174.4 | -172.9 | 174.2 | 0 | 113.6 | S282 I283 I284 R319 | S282-K286 VanDerWaalsContact O-CB 3.29Å; S282-K286 WeakPolarHBondContact O-CB 3.27Å; S282-K286 WeakPolarHBondContact O-CD 3.28Å; S282-K286 WeakPolarHBondContact O-CG 3.48Å; S282-K286 PolarHBondContact O-N 2.83Å; S282-K286 VanDerWaalsContact O-N 3.07Å; I283-K286 PolarHBondContact O-N 2.85Å; I284-K286 VanDerWaalsContact C-N 3.34Å; I284-K286 PolarHBondContact O-N 3.35Å; K286-R319 VanDerWaalsContact CE-CZ 3.43Å |
| 287 | K | 82 | Confident | 82.6 | Confident | 97 Ų | 97 | 39.3 Ų | 39.3 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -122.2 | 33 | -168.9 | -64.2 | -65 | -175.2 | -179.1 | 0 | 111.8 | T250 Q256 I283 I284 | T250-K287 HydrophobicContact CG2-CB 3.96Å; T250-K287 HydrophobicContact CG2-CD 4.35Å; T250-K287 WeakPolarHBondContact CG2-O 3.43Å; Q256-K287 PolarHBondContact NE2-O 3.49Å; I283-K287 WeakPolarHBondContact O-CB 3.47Å; I283-K287 PolarHBondContact O-N 3.06Å; I284-K287 CarbonylContact O-C 3.59Å; I284-K287 PolarHBondContact O-N 3.07Å |
| 288 | T | 81.7 | Confident | 82.6 | Confident | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 135.5 | 171.1 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | I284 E293 S296 L323 | I284-T288 PolarHBondContact O-N 2.87Å; I284-T288 VanDerWaalsContact O-N 3.08Å; I284-T288 PolarHBondContact O-OG1 3.44Å; T288-E293 HydrophobicContact CG2-CG 4.37Å; T288-S296 WeakPolarHBondContact CG2-OG 3.5Å; T288-L323 HydrophobicContact CG2-CD1 4.24Å; T288-L323 HydrophobicContact CG2-CD2 4.14Å |
| 289 | R | 81.2 | Confident | 82.7 | Confident | 41 Ų | 41 | 44 Ų | 44 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 142.4 | 171.9 | -82.3 | 178.4 | -85.9 | 158 | -5.4 | 110.1 | T250 A253 Q256 C257 S291 C292 | T250-R289 HydrophobicContact CG2-CG 4.48Å; T250-R289 WeakPolarHBondContact O-CD 3.4Å; A253-R289 PolarHBondContact O-NH2 2.9Å; Q256-R289 VanDerWaalsContact OE1-CZ 3.27Å; C257-R289 PolarHBondContact SG-NH2 2.92Å; R289-S291 PolarHBondContact O-N 3.18Å; R289-C292 HydrophobicContact CB-CB 4.3Å; R289-C292 PolarHBondContact O-N 3.08Å; R289-C292 VanDerWaalsContact O-N 3.1Å |
| 290 | P | 71.2 | Confident | 82.8 | Confident | 107 Ų | 107 | 41.4 Ų | 41.4 | 70% | 0.695 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 135.2 | 170.4 | 26.9 | -32.3 | 0 | 0 | 0 | 109.1 | E293 | P290-E293 WeakPolarHBondContact CA-OE1 3.44Š|
| 291 | S | 71.8 | Confident | 82.6 | Confident | 105 Ų | 105 | 41.6 Ų | 41.6 | 73% | 0.734 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -8.4 | -169.5 | 74.6 | 0 | 0 | 0 | 0 | 117.3 | R289 E293 | R289-S291 PolarHBondContact O-N 3.18Å; S291-E293 VanDerWaalsContact C-OE2 3.24Å; S291-E293 WeakPolarHBondContact CA-OE2 3.41Å; S291-E293 PolarHBondContact N-OE2 3.35Å |
| 292 | C | 79.5 | Confident | 82.4 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | trans | -110.7 | 22.2 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | R289 W294 E295 S296 | R289-C292 HydrophobicContact CB-CB 4.3Å; R289-C292 PolarHBondContact O-N 3.08Å; R289-C292 VanDerWaalsContact O-N 3.1Å; C292-W294 VanDerWaalsContact C-N 3.28Å; C292-W294 PolarHBondContact O-N 3.22Å; C292-E295 WeakPolarHBondContact CA-OE2 3.22Å; C292-S296 WeakPolarHBondContact O-CB 3.37Å; C292-S296 PolarHBondContact O-N 3.28Å; C292-S296 VanDerWaalsContact O-N 3.11Å; C292-S296 PolarHBondContact O-OG 2.92Å | ||
| 293 | E | 82.9 | Confident | 82.3 | Confident | 28 Ų | 28 | 44 Ų | 44 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 178.5 | -68.2 | 85.7 | 174.8 | 0 | 0 | 111.4 | T288 P290 S291 S296 I297 L323 K326 L327 | T288-E293 HydrophobicContact CG2-CG 4.37Å; P290-E293 WeakPolarHBondContact CA-OE1 3.44Å; S291-E293 VanDerWaalsContact C-OE2 3.24Å; S291-E293 WeakPolarHBondContact CA-OE2 3.41Å; S291-E293 PolarHBondContact N-OE2 3.35Å; E293-S296 PolarHBondContact O-N 2.86Å; E293-I297 PolarHBondContact O-N 3.45Å; E293-L323 HydrophobicContact CB-CD2 3.94Å; E293-L323 HydrophobicContact CB-CG 4.23Å; E293-L323 HydrophobicContact CG-CD2 4.16Å; E293-L323 HydrophobicContact CG-CG 3.99Å; E293-K326 HydrophobicContact CG-CB 4.31Å; E293-K326 HydrophobicContact CG-CD 4.17Å; E293-L327 HydrophobicContact CB-CD2 3.85Å |
| 294 | W | 82.1 | Confident | 82.1 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 20% | 0.201 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -53.3 | -179.3 | 169.6 | -117.9 | 0 | 0 | 0 | 111.5 | C292 S296 I297 R298 L327 E331 I334 I335 | C292-W294 VanDerWaalsContact C-N 3.28Å; C292-W294 PolarHBondContact O-N 3.22Å; W294-S296 VanDerWaalsContact C-N 3.3Å; W294-S296 PolarHBondContact O-N 2.86Å; W294-I297 PolarHBondContact O-N 3.4Å; W294-R298 HydrophobicContact CD2-CG 4.45Å; W294-R298 HydrophobicContact CZ2-CG 4.41Å; W294-R298 WeakPolarHBondContact O-CG 3.28Å; W294-R298 PolarHBondContact O-N 3.13Å; W294-R298 VanDerWaalsContact O-N 3.1Å; W294-L327 VanDerWaalsContact CA-CD2 3.5Å; W294-L327 HydrophobicContact CB-CD2 3.78Å; W294-L327 HydrophobicContact CE3-CD1 4.18Å; W294-L327 HydrophobicContact CE3-CD2 4.43Å; W294-E331 HydrophobicContact CD2-CB 4.37Å; W294-E331 HydrophobicContact CD2-CG 3.94Å; W294-E331 HydrophobicContact CE3-CB 3.5Å; W294-E331 VanDerWaalsContact CE3-CB 3.5Å; W294-E331 HydrophobicContact CE3-CG 3.56Å; W294-E331 HydrophobicContact CH2-CB 4.22Å; W294-E331 HydrophobicContact CH2-CG 4.17Å; W294-E331 HydrophobicContact CZ3-CB 3.41Å; W294-E331 VanDerWaalsContact CZ3-CB 3.41Å; W294-E331 HydrophobicContact CZ3-CG 3.69Å; W294-E331 WeakPolarHBondContact CZ3-O 3.04Å; W294-I334 HydrophobicContact CH2-CB 4.11Å; W294-I334 HydrophobicContact CH2-CD1 4.31Å; W294-I334 HydrophobicContact CH2-CG2 3.96Å; W294-I335 HydrophobicContact CE3-CD1 3.67Å; W294-I335 HydrophobicContact CE3-CG1 4.36Å; W294-I335 HydrophobicContact CH2-CG1 4.4Å; W294-I335 HydrophobicContact CZ3-CD1 3.4Å; W294-I335 VanDerWaalsContact CZ3-CD1 3.4Å; W294-I335 HydrophobicContact CZ3-CG1 3.66Å |
| 295 | E | 81.9 | Confident | 81.8 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 179.6 | -62.9 | 85.8 | 167.9 | 0 | 0 | 111 | C292 R298 I299 | C292-E295 WeakPolarHBondContact CA-OE2 3.22Å; E295-R298 PolarHBondContact O-N 3.46Å; E295-I299 VanDerWaalsContact O-CD1 3.29Å; E295-I299 WeakPolarHBondContact O-CD1 3.42Å; E295-I299 WeakPolarHBondContact O-CG1 3.16Å; E295-I299 PolarHBondContact O-N 3.29Å |
| 296 | S | 82.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | T288 C292 E293 W294 I299 V300 | T288-S296 WeakPolarHBondContact CG2-OG 3.5Å; C292-S296 WeakPolarHBondContact O-CB 3.37Å; C292-S296 PolarHBondContact O-N 3.28Å; C292-S296 VanDerWaalsContact O-N 3.11Å; C292-S296 PolarHBondContact O-OG 2.92Å; E293-S296 PolarHBondContact O-N 2.86Å; W294-S296 VanDerWaalsContact C-N 3.3Å; W294-S296 PolarHBondContact O-N 2.86Å; S296-I299 PolarHBondContact O-N 3.45Å; S296-V300 WeakPolarHBondContact O-CG2 3.49Å; S296-V300 PolarHBondContact O-N 2.9Å |
| 297 | I | 85.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 176.2 | -72.7 | 162.1 | 0 | 0 | 0 | 111.1 | E293 W294 I299 V300 I301 L323 F324 L327 I335 | E293-I297 PolarHBondContact O-N 3.45Å; W294-I297 PolarHBondContact O-N 3.4Å; I297-I299 VanDerWaalsContact C-N 3.32Å; I297-I299 PolarHBondContact O-N 3.33Å; I297-V300 WeakPolarHBondContact O-CB 3.21Å; I297-V300 PolarHBondContact O-N 3.03Å; I297-V300 VanDerWaalsContact O-N 3.12Å; I297-I301 HydrophobicContact CG2-CD1 3.62Å; I297-I301 HydrophobicContact CG2-CG1 4.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.45Å; I297-I301 PolarHBondContact O-N 3.25Å; I297-L323 HydrophobicContact CD1-CB 4.16Å; I297-L323 HydrophobicContact CD1-CD2 3.73Å; I297-L323 HydrophobicContact CD1-CG 4.41Å; I297-L323 HydrophobicContact CG1-CD2 3.64Å; I297-F324 HydrophobicContact CD1-CB 4.28Å; I297-F324 HydrophobicContact CD1-CD2 4.36Å; I297-L327 HydrophobicContact CD1-CD1 3.43Å; I297-L327 VanDerWaalsContact CD1-CD1 3.43Å; I297-L327 HydrophobicContact CD1-CG 4.05Å; I297-I335 HydrophobicContact CB-CD1 4.18Å; I297-I335 HydrophobicContact CG2-CD1 3.52Å; I297-I335 HydrophobicContact CG2-CG1 4.01Å; I297-I335 HydrophobicContact CG2-CG2 4.07Å |
| 298 | R | 84.1 | Confident | 80.9 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 45% | 0.453 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.5 | -70.9 | -169.1 | 70.9 | -142.1 | 1.3 | 112.8 | W294 E295 V300 I301 Q302 | W294-R298 HydrophobicContact CD2-CG 4.45Å; W294-R298 HydrophobicContact CZ2-CG 4.41Å; W294-R298 WeakPolarHBondContact O-CG 3.28Å; W294-R298 PolarHBondContact O-N 3.13Å; W294-R298 VanDerWaalsContact O-N 3.1Å; E295-R298 PolarHBondContact O-N 3.46Å; R298-V300 VanDerWaalsContact C-N 3.33Å; R298-I301 PolarHBondContact O-N 3.46Å; R298-Q302 VanDerWaalsContact O-CB 3.3Å; R298-Q302 WeakPolarHBondContact O-CB 3.43Å; R298-Q302 PolarHBondContact O-N 3.4Å |
| 299 | I | 85 | Confident | 80.4 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 173.6 | -66.8 | 156.4 | 0 | 0 | 0 | 110 | F260 I264 I284 E295 S296 I297 Q302 L303 | F260-I299 HydrophobicContact CB-CD1 3.68Å; F260-I299 HydrophobicContact CD1-CD1 4.26Å; F260-I299 HydrophobicContact CD2-CD1 3.6Å; F260-I299 HydrophobicContact CE2-CD1 4.23Å; F260-I299 HydrophobicContact CG-CD1 3.61Å; I264-I299 HydrophobicContact CD1-CB 4.29Å; I264-I299 HydrophobicContact CD1-CG1 3.77Å; I264-I299 HydrophobicContact CD1-CG2 4.02Å; I264-I299 HydrophobicContact CG1-CG2 4.08Å; I284-I299 HydrophobicContact CD1-CG2 4.16Å; E295-I299 VanDerWaalsContact O-CD1 3.29Å; E295-I299 WeakPolarHBondContact O-CD1 3.42Å; E295-I299 WeakPolarHBondContact O-CG1 3.16Å; E295-I299 PolarHBondContact O-N 3.29Å; S296-I299 PolarHBondContact O-N 3.45Å; I297-I299 VanDerWaalsContact C-N 3.32Å; I297-I299 PolarHBondContact O-N 3.33Å; I299-Q302 PolarHBondContact O-N 3.4Å; I299-L303 HydrophobicContact CG2-CD1 3.94Å; I299-L303 HydrophobicContact CG2-CG 4.46Å; I299-L303 WeakPolarHBondContact O-CB 3.48Å; I299-L303 VanDerWaalsContact O-CG 3.26Å; I299-L303 WeakPolarHBondContact O-CG 3.35Å; I299-L303 PolarHBondContact O-N 3.11Å |
| 300 | V | 86 | Confident | 79.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | I281 I284 L285 S296 I297 R298 L303 M304 L312 | I281-V300 HydrophobicContact CD1-CG1 4.47Å; I281-V300 HydrophobicContact CG1-CG1 4.37Å; I281-V300 HydrophobicContact CG2-CG1 3.89Å; I281-V300 HydrophobicContact CG2-CG2 4.17Å; I284-V300 HydrophobicContact CB-CG2 4.49Å; I284-V300 HydrophobicContact CG2-CG2 4Å; L285-V300 HydrophobicContact CD2-CG2 4.26Å; L285-V300 HydrophobicContact CG-CG2 4.42Å; S296-V300 WeakPolarHBondContact O-CG2 3.49Å; S296-V300 PolarHBondContact O-N 2.9Å; I297-V300 WeakPolarHBondContact O-CB 3.21Å; I297-V300 PolarHBondContact O-N 3.03Å; I297-V300 VanDerWaalsContact O-N 3.12Å; R298-V300 VanDerWaalsContact C-N 3.33Å; V300-L303 WeakPolarHBondContact O-CB 3.49Å; V300-L303 PolarHBondContact O-N 3.1Å; V300-M304 HydrophobicContact CG1-CG 4.49Å; V300-M304 HydrophobicContact CG1-SD 4.15Å; V300-M304 VanDerWaalsContact O-CG 3.31Å; V300-M304 WeakPolarHBondContact O-CG 3.44Å; V300-M304 PolarHBondContact O-N 3.45Å; V300-L312 HydrophobicContact CG1-CD1 4.39Å |
| 301 | I | 83.8 | Confident | 79.5 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.1 | -66.4 | 164 | 0 | 0 | 0 | 110.8 | I297 R298 L303 M304 R305 I335 E338 Q339 L342 | I297-I301 HydrophobicContact CG2-CD1 3.62Å; I297-I301 HydrophobicContact CG2-CG1 4.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.45Å; I297-I301 PolarHBondContact O-N 3.25Å; R298-I301 PolarHBondContact O-N 3.46Å; I301-L303 VanDerWaalsContact C-N 3.3Å; I301-L303 PolarHBondContact O-N 3.03Å; I301-M304 WeakPolarHBondContact O-CB 3.49Å; I301-M304 PolarHBondContact O-N 3.41Å; I301-R305 WeakPolarHBondContact O-CB 3.47Å; I301-R305 PolarHBondContact O-N 3.36Å; I301-I335 HydrophobicContact CD1-CB 4.14Å; I301-I335 HydrophobicContact CD1-CG1 3.91Å; I301-I335 HydrophobicContact CD1-CG2 3.51Å; I301-E338 HydrophobicContact CG2-CB 4.43Å; I301-Q339 HydrophobicContact CD1-CG 4.4Å; I301-Q339 HydrophobicContact CG1-CG 4.47Å; I301-L342 HydrophobicContact CG2-CD1 4.23Å |
| 302 | Q | 81.8 | Confident | 79.7 | Confident | 64 Ų | 64 | 44.4 Ų | 44.4 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 177 | -170.9 | 64.3 | 45.2 | 0 | 0 | 111.5 | I264 R298 I299 R305 N306 | I264-Q302 HydrophobicContact CG2-CG 4.43Å; R298-Q302 VanDerWaalsContact O-CB 3.3Å; R298-Q302 WeakPolarHBondContact O-CB 3.43Å; R298-Q302 PolarHBondContact O-N 3.4Å; I299-Q302 PolarHBondContact O-N 3.4Å; Q302-R305 PolarHBondContact O-N 2.91Å; Q302-N306 PolarHBondContact NE2-ND2 2.91Å; Q302-N306 PolarHBondContact NE2-OD1 3.44Å; Q302-N306 VanDerWaalsContact O-CB 3.3Å; Q302-N306 WeakPolarHBondContact O-CB 3.31Å; Q302-N306 PolarHBondContact O-N 2.61Å; Q302-N306 PolarHBondContact O-ND2 3.35Å; Q302-N306 PolarHBondContact O-OD1 3.26Å |
| 303 | L | 83.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -46 | 174.2 | -75.8 | 167.6 | 0 | 0 | 0 | 111.6 | V263 S267 I281 I284 I299 V300 I301 R305 N306 Q307 | V263-L303 HydrophobicContact CG1-CD1 3.8Å; V263-L303 HydrophobicContact CG1-CD2 3.59Å; V263-L303 HydrophobicContact CG1-CG 4.28Å; S267-L303 VanDerWaalsContact CB-CD2 3.46Å; I281-L303 HydrophobicContact CG1-CD1 4.4Å; I284-L303 HydrophobicContact CD1-CD1 3.89Å; I299-L303 HydrophobicContact CG2-CD1 3.94Å; I299-L303 HydrophobicContact CG2-CG 4.46Å; I299-L303 WeakPolarHBondContact O-CB 3.48Å; I299-L303 VanDerWaalsContact O-CG 3.26Å; I299-L303 WeakPolarHBondContact O-CG 3.35Å; I299-L303 PolarHBondContact O-N 3.11Å; V300-L303 WeakPolarHBondContact O-CB 3.49Å; V300-L303 PolarHBondContact O-N 3.1Å; I301-L303 VanDerWaalsContact C-N 3.3Å; I301-L303 PolarHBondContact O-N 3.03Å; L303-R305 VanDerWaalsContact C-N 3.32Å; L303-R305 PolarHBondContact O-N 2.61Å; L303-N306 PolarHBondContact O-N 3.29Å; L303-Q307 WeakPolarHBondContact O-CB 3.44Å; L303-Q307 VanDerWaalsContact O-CG 3.28Å; L303-Q307 WeakPolarHBondContact O-CG 3.42Å; L303-Q307 PolarHBondContact O-N 3.11Å |
| 304 | M | 81.1 | Confident | 79.1 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -45 | 175.9 | -72 | 174.7 | 69.9 | 0 | 0 | 111.7 | I281 V300 I301 R308 I309 L312 L342 | I281-M304 HydrophobicContact CD1-CG 4.39Å; V300-M304 HydrophobicContact CG1-CG 4.49Å; V300-M304 HydrophobicContact CG1-SD 4.15Å; V300-M304 VanDerWaalsContact O-CG 3.31Å; V300-M304 WeakPolarHBondContact O-CG 3.44Å; V300-M304 PolarHBondContact O-N 3.45Å; I301-M304 WeakPolarHBondContact O-CB 3.49Å; I301-M304 PolarHBondContact O-N 3.41Å; M304-R308 WeakPolarHBondContact O-CA 3.38Å; M304-R308 PolarHBondContact O-N 3.24Å; M304-I309 HydrophobicContact CB-CB 4.45Å; M304-I309 WeakPolarHBondContact CE-O 3.15Å; M304-I309 HydrophobicContact CG-CB 4.42Å; M304-I309 PolarHBondContact O-N 3.49Å; M304-L312 HydrophobicContact CE-CD1 3.87Å; M304-L312 HydrophobicContact CE-CG 3.97Å; M304-L312 HydrophobicContact SD-CD1 3.39Å; M304-L312 WeakPolarHBondContact SD-CD1 3.38Å; M304-L312 HydrophobicContact SD-CG 3.92Å; M304-L342 HydrophobicContact CB-CD1 4.26Å |
| 305 | R | 80.4 | Confident | 78.6 | Confident | 126 Ų | 126 | 53.1 Ų | 53.1 | 48% | 0.475 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -51.2 | 179.2 | -168.7 | 175.9 | -176.6 | -178.4 | 2.2 | 111.4 | I301 Q302 L303 Q307 R308 L342 E345 | I301-R305 WeakPolarHBondContact O-CB 3.47Å; I301-R305 PolarHBondContact O-N 3.36Å; Q302-R305 PolarHBondContact O-N 2.91Å; L303-R305 VanDerWaalsContact C-N 3.32Å; L303-R305 PolarHBondContact O-N 2.61Å; R305-Q307 VanDerWaalsContact C-N 3.32Å; R305-Q307 PolarHBondContact O-N 2.84Å; R305-R308 PolarHBondContact O-N 2.87Å; R305-L342 HydrophobicContact CB-CD1 3.62Å; R305-L342 HydrophobicContact CB-CG 4.18Å; R305-L342 HydrophobicContact CG-CD1 4.2Å; R305-L342 HydrophobicContact CG-CG 4.28Å; R305-E345 IonicContact CZ-OE1 3.24Å; R305-E345 IonicContact NE-OE1 3.94Å; R305-E345 PolarHBondContact NE-OE1 3.32Å; R305-E345 IonicContact NE-OE2 2.76Å; R305-E345 IonicContact NH2-OE1 2.89Å; R305-E345 PolarHBondContact NH2-OE1 2.95Å |
| 306 | N | 79.8 | Confident | 78.3 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | -177.3 | -68.6 | -13.3 | 0 | 0 | 0 | 112.3 | S267 L268 Q302 L303 | S267-N306 PolarHBondContact OG-ND2 3.06Å; L268-N306 WeakPolarHBondContact CD2-ND2 3.45Å; L268-N306 WeakPolarHBondContact CG-ND2 3.45Å; Q302-N306 PolarHBondContact NE2-ND2 2.91Å; Q302-N306 PolarHBondContact NE2-OD1 3.44Å; Q302-N306 VanDerWaalsContact O-CB 3.3Å; Q302-N306 WeakPolarHBondContact O-CB 3.31Å; Q302-N306 PolarHBondContact O-N 2.61Å; Q302-N306 PolarHBondContact O-ND2 3.35Å; Q302-N306 PolarHBondContact O-OD1 3.26Å; L303-N306 PolarHBondContact O-N 3.29Å |
| 307 | Q | 81.6 | Confident | 78.1 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.6 | -177.7 | -59.7 | -61.3 | -61.2 | 0 | 0 | 113.4 | S267 L270 V277 L303 R305 I309 | S267-Q307 VanDerWaalsContact CA-NE2 3.27Å; S267-Q307 PolarHBondContact O-NE2 2.74Å; L270-Q307 PolarHBondContact O-NE2 3.2Å; V277-Q307 HydrophobicContact CG1-CB 4.31Å; V277-Q307 HydrophobicContact CG1-CG 4.05Å; V277-Q307 HydrophobicContact CG2-CB 4.44Å; V277-Q307 HydrophobicContact CG2-CG 3.92Å; L303-Q307 WeakPolarHBondContact O-CB 3.44Å; L303-Q307 VanDerWaalsContact O-CG 3.28Å; L303-Q307 WeakPolarHBondContact O-CG 3.42Å; L303-Q307 PolarHBondContact O-N 3.11Å; R305-Q307 VanDerWaalsContact C-N 3.32Å; R305-Q307 PolarHBondContact O-N 2.84Å; Q307-I309 VanDerWaalsContact C-N 3.3Å; Q307-I309 HydrophobicContact CB-CD1 4.1Å; Q307-I309 HydrophobicContact CB-CG1 4.11Å; Q307-I309 PolarHBondContact O-N 2.83Å |
| 308 | R | 71.6 | Confident | 77.7 | Confident | 175 Ų | 175 | 57.8 Ų | 57.8 | 66% | 0.66 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 45.5 | 177.7 | -64 | -175.9 | -174.1 | 177.2 | 1.3 | 112.2 | M304 R305 P310 Y346 | M304-R308 WeakPolarHBondContact O-CA 3.38Å; M304-R308 PolarHBondContact O-N 3.24Å; R305-R308 PolarHBondContact O-N 2.87Å; R308-P310 VanDerWaalsContact O-CD 3.25Å; R308-P310 WeakPolarHBondContact O-CD 3.44Å; R308-Y346 VanDerWaalsContact C-OH 3.32Å; R308-Y346 WeakPolarHBondContact CA-OH 3.33Å; R308-Y346 VanDerWaalsContact CB-OH 3.25Å; R308-Y346 WeakPolarHBondContact CB-OH 3.21Å; R308-Y346 PolarHBondContact O-OH 3.18Å |
| 309 | I | 70.8 | Confident | 77.4 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.046 | 27% | 0.269 | C | S | . | . | trans | -98.9 | 101.9 | 175 | -57.5 | 174.2 | 0 | 0 | 0 | 107.4 | V277 M304 Q307 | V277-I309 HydrophobicContact CB-CD1 4.07Å; V277-I309 HydrophobicContact CG1-CD1 3.6Å; M304-I309 HydrophobicContact CB-CB 4.45Å; M304-I309 WeakPolarHBondContact CE-O 3.15Å; M304-I309 HydrophobicContact CG-CB 4.42Å; M304-I309 PolarHBondContact O-N 3.49Å; Q307-I309 VanDerWaalsContact C-N 3.3Å; Q307-I309 HydrophobicContact CB-CD1 4.1Å; Q307-I309 HydrophobicContact CB-CG1 4.11Å; Q307-I309 PolarHBondContact O-N 2.83Å | ||
| 310 | P | 64.7 | Low | 77.3 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | trans | -76.6 | -35.7 | -174 | 30 | -36.1 | 0 | 0 | 0 | 112.8 | R308 Y346 L352 | R308-P310 VanDerWaalsContact O-CD 3.25Å; R308-P310 WeakPolarHBondContact O-CD 3.44Å; P310-Y346 HydrophobicContact CB-CE2 4.06Å; P310-L352 HydrophobicContact CB-CD1 4.3Å; P310-L352 HydrophobicContact CB-CD2 3.55Å; P310-L352 HydrophobicContact CG-CD1 4.04Å; P310-L352 HydrophobicContact CG-CD2 3.65Å; P310-L352 HydrophobicContact CG-CG 4.25Å | ||
| 311 | L | 69.8 | Low | 77.2 | Confident | 107 Ų | 107 | 61 Ų | 61 | 56% | 0.56 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -135 | 134.2 | -178.8 | -147.5 | 89 | 0 | 0 | 0 | 110.1 | ||
| 312 | L | 76.1 | Confident | 77.1 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -77.9 | 145.8 | 172.5 | -82.8 | 152.8 | 0 | 0 | 0 | 110.7 | L278 I281 V300 M304 L316 T317 | L278-L312 HydrophobicContact CD2-CD2 3.95Å; I281-L312 HydrophobicContact CD1-CD2 4.22Å; I281-L312 HydrophobicContact CG2-CD2 3.92Å; V300-L312 HydrophobicContact CG1-CD1 4.39Å; M304-L312 HydrophobicContact CE-CD1 3.87Å; M304-L312 HydrophobicContact CE-CG 3.97Å; M304-L312 HydrophobicContact SD-CD1 3.39Å; M304-L312 WeakPolarHBondContact SD-CD1 3.38Å; M304-L312 HydrophobicContact SD-CG 3.92Å; L312-L316 HydrophobicContact CB-CB 4.47Å; L312-L316 HydrophobicContact CD2-CB 4.02Å; L312-L316 HydrophobicContact CD2-CD1 4.03Å; L312-T317 PolarHBondContact O-OG1 3.45Å | ||
| 313 | P | 77.7 | Confident | 76.9 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | trans | -56.4 | 145.2 | 169.8 | -23.5 | 32.1 | 0 | 0 | 0 | 111.6 | L278 K315 L316 T317 | L278-P313 HydrophobicContact CD1-CG 4.07Å; L278-P313 HydrophobicContact CD2-CG 4.09Å; P313-K315 VanDerWaalsContact C-N 3.26Å; P313-K315 PolarHBondContact O-N 3.48Å; P313-L316 HydrophobicContact CG-CD1 4.41Å; P313-L316 WeakPolarHBondContact O-CA 3.26Å; P313-L316 PolarHBondContact O-N 3.15Å; P313-T317 PolarHBondContact O-N 3.29Å; P313-T317 PolarHBondContact O-OG1 2.74Å | ||
| 314 | P | 70.6 | Confident | 76.7 | Confident | 77 Ų | 77 | 64 Ų | 64 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -54.6 | -37.9 | -169.5 | 18.8 | -31.9 | 0 | 0 | 0 | 113.7 | L316 T317 E318 | P314-L316 VanDerWaalsContact C-N 3.3Å; P314-L316 PolarHBondContact O-N 2.9Å; P314-T317 PolarHBondContact O-N 3.25Å; P314-E318 WeakPolarHBondContact O-CG 3.48Å; P314-E318 PolarHBondContact O-N 2.95Å |
| 315 | K | 71.5 | Confident | 76.7 | Confident | 163 Ų | 163 | 67 Ų | 67 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.1 | -31.4 | 176.6 | -64.6 | -175.9 | 179 | 179.1 | 0 | 114.1 | P313 | P313-K315 VanDerWaalsContact C-N 3.26Å; P313-K315 PolarHBondContact O-N 3.48Å |
| 316 | L | 76.5 | Confident | 76.7 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -85.3 | -35.7 | 177.1 | -64.7 | -178.4 | 0 | 0 | 0 | 110.6 | L278 L312 P313 P314 R319 Q320 | L278-L316 HydrophobicContact CB-CD1 4.28Å; L278-L316 HydrophobicContact CD2-CD1 3.9Å; L312-L316 HydrophobicContact CB-CB 4.47Å; L312-L316 HydrophobicContact CD2-CB 4.02Å; L312-L316 HydrophobicContact CD2-CD1 4.03Å; P313-L316 HydrophobicContact CG-CD1 4.41Å; P313-L316 WeakPolarHBondContact O-CA 3.26Å; P313-L316 PolarHBondContact O-N 3.15Å; P314-L316 VanDerWaalsContact C-N 3.3Å; P314-L316 PolarHBondContact O-N 2.9Å; L316-R319 PolarHBondContact O-N 2.86Å; L316-Q320 PolarHBondContact O-N 3.44Å |
| 317 | T | 78.1 | Confident | 76.8 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 26% | 0.258 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 173.9 | -39.7 | 0 | 0 | 0 | 0 | 111.3 | L312 P313 P314 R319 Q320 N321 | L312-T317 PolarHBondContact O-OG1 3.45Å; P313-T317 PolarHBondContact O-N 3.29Å; P313-T317 PolarHBondContact O-OG1 2.74Å; P314-T317 PolarHBondContact O-N 3.25Å; T317-R319 VanDerWaalsContact C-N 3.29Å; T317-R319 PolarHBondContact O-N 3.36Å; T317-Q320 PolarHBondContact O-N 3.41Å; T317-N321 WeakPolarHBondContact O-CB 3.47Å; T317-N321 PolarHBondContact O-N 3.11Å; T317-N321 PolarHBondContact O-ND2 3.29Å; T317-N321 PolarHBondContact O-OD1 3.01Å |
| 318 | E | 77.4 | Confident | 76.8 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.7 | -44.1 | 172.9 | -77.8 | 173.7 | -170.3 | 0 | 0 | 111.9 | P314 N321 V322 | P314-E318 WeakPolarHBondContact O-CG 3.48Å; P314-E318 PolarHBondContact O-N 2.95Å; E318-N321 PolarHBondContact O-N 3.33Å; E318-V322 WeakPolarHBondContact O-CG2 3.42Å; E318-V322 PolarHBondContact O-N 2.77Å; E318-V322 VanDerWaalsContact O-N 3.09Å |
| 319 | R | 78.6 | Confident | 77 | Confident | 103 Ų | 103 | 63.9 Ų | 63.9 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70 | -37.8 | 177.6 | -72.9 | -165.3 | 179.7 | 125.3 | 5.1 | 113.2 | L285 K286 L316 T317 N321 V322 L323 | L285-R319 HydrophobicContact CB-CB 4.4Å; L285-R319 HydrophobicContact CD1-CB 4.35Å; K286-R319 VanDerWaalsContact CE-CZ 3.43Å; L316-R319 PolarHBondContact O-N 2.86Å; T317-R319 VanDerWaalsContact C-N 3.29Å; T317-R319 PolarHBondContact O-N 3.36Å; R319-N321 VanDerWaalsContact C-N 3.3Å; R319-V322 PolarHBondContact O-N 2.75Å; R319-L323 PolarHBondContact O-N 3.48Å; R319-L323 VanDerWaalsContact O-N 3.14Å |
| 320 | Q | 83 | Confident | 77 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 174.5 | -175.3 | -176.4 | 2.9 | 0 | 0 | 109.9 | L285 L316 T317 V322 L323 F324 Q339 | L285-Q320 HydrophobicContact CD1-CB 4.29Å; L285-Q320 HydrophobicContact CD2-CB 4.43Å; L316-Q320 PolarHBondContact O-N 3.44Å; T317-Q320 PolarHBondContact O-N 3.41Å; Q320-V322 VanDerWaalsContact C-N 3.34Å; Q320-V322 PolarHBondContact O-N 2.87Å; Q320-L323 PolarHBondContact O-N 3.36Å; Q320-L323 VanDerWaalsContact O-N 3.11Å; Q320-F324 WeakPolarHBondContact O-CB 3.32Å; Q320-F324 PolarHBondContact O-N 3.36Å; Q320-Q339 VanDerWaalsContact NE2-NE2 3.14Å |
| 321 | N | 82.4 | Confident | 77.6 | Confident | 91 Ų | 91 | 72 Ų | 72 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 178.5 | -67.3 | -11.8 | 0 | 0 | 0 | 112.1 | T317 E318 R319 L323 F324 S325 | T317-N321 WeakPolarHBondContact O-CB 3.47Å; T317-N321 PolarHBondContact O-N 3.11Å; T317-N321 PolarHBondContact O-ND2 3.29Å; T317-N321 PolarHBondContact O-OD1 3.01Å; E318-N321 PolarHBondContact O-N 3.33Å; R319-N321 VanDerWaalsContact C-N 3.3Å; N321-L323 VanDerWaalsContact C-N 3.3Å; N321-L323 PolarHBondContact O-N 3.41Å; N321-F324 PolarHBondContact O-N 3.17Å; N321-S325 WeakPolarHBondContact O-CB 3.26Å; N321-S325 PolarHBondContact O-N 3.44Å; N321-S325 PolarHBondContact O-OG 2.94Å |
| 322 | V | 82 | Confident | 78.1 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 56% | 0.558 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.3 | -34.8 | 174 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | E318 R319 Q320 S325 | E318-V322 WeakPolarHBondContact O-CG2 3.42Å; E318-V322 PolarHBondContact O-N 2.77Å; E318-V322 VanDerWaalsContact O-N 3.09Å; R319-V322 PolarHBondContact O-N 2.75Å; Q320-V322 VanDerWaalsContact C-N 3.34Å; Q320-V322 PolarHBondContact O-N 2.87Å; V322-S325 PolarHBondContact O-OG 3.36Å |
| 323 | L | 77.3 | Confident | 78.1 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -78.3 | -38.1 | 176.5 | -144.8 | 104.7 | 0 | 0 | 0 | 111.3 | T288 E293 I297 R319 Q320 N321 S325 K326 | T288-L323 HydrophobicContact CG2-CD1 4.24Å; T288-L323 HydrophobicContact CG2-CD2 4.14Å; E293-L323 HydrophobicContact CB-CD2 3.94Å; E293-L323 HydrophobicContact CB-CG 4.23Å; E293-L323 HydrophobicContact CG-CD2 4.16Å; E293-L323 HydrophobicContact CG-CG 3.99Å; I297-L323 HydrophobicContact CD1-CB 4.16Å; I297-L323 HydrophobicContact CD1-CD2 3.73Å; I297-L323 HydrophobicContact CD1-CG 4.41Å; I297-L323 HydrophobicContact CG1-CD2 3.64Å; R319-L323 PolarHBondContact O-N 3.48Å; R319-L323 VanDerWaalsContact O-N 3.14Å; Q320-L323 PolarHBondContact O-N 3.36Å; Q320-L323 VanDerWaalsContact O-N 3.11Å; N321-L323 VanDerWaalsContact C-N 3.3Å; N321-L323 PolarHBondContact O-N 3.41Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 3.08Å; L323-K326 WeakPolarHBondContact O-CB 3.48Å; L323-K326 PolarHBondContact O-N 2.84Å; L323-K326 VanDerWaalsContact O-N 3.14Å |
| 324 | F | 80.8 | Confident | 78 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.5 | -172.8 | -107.9 | 0 | 0 | 0 | 111.6 | I297 Q320 N321 K326 L327 Q332 I335 E336 | I297-F324 HydrophobicContact CD1-CB 4.28Å; I297-F324 HydrophobicContact CD1-CD2 4.36Å; Q320-F324 WeakPolarHBondContact O-CB 3.32Å; Q320-F324 PolarHBondContact O-N 3.36Å; N321-F324 PolarHBondContact O-N 3.17Å; F324-K326 PolarHBondContact O-N 3.29Å; F324-K326 VanDerWaalsContact O-N 3.11Å; F324-L327 HydrophobicContact CD2-CD1 4.14Å; F324-L327 WeakPolarHBondContact O-CB 3.47Å; F324-L327 PolarHBondContact O-N 3Å; F324-L327 VanDerWaalsContact O-N 3.12Å; F324-Q332 HydrophobicContact CD1-CG 4.27Å; F324-Q332 HydrophobicContact CD2-CG 4.37Å; F324-Q332 HydrophobicContact CE1-CB 3.97Å; F324-Q332 HydrophobicContact CE1-CG 3.8Å; F324-Q332 HydrophobicContact CE2-CB 3.95Å; F324-Q332 HydrophobicContact CE2-CG 3.89Å; F324-Q332 VanDerWaalsContact CZ-CA 3.48Å; F324-Q332 HydrophobicContact CZ-CB 3.43Å; F324-Q332 VanDerWaalsContact CZ-CB 3.43Å; F324-Q332 HydrophobicContact CZ-CG 3.59Å; F324-Q332 WeakPolarHBondContact CZ-O 3.43Å; F324-Q332 PolarHBondContact O-NE2 3.29Å; F324-I335 HydrophobicContact CD2-CD1 4.28Å; F324-I335 HydrophobicContact CD2-CG2 3.96Å; F324-I335 HydrophobicContact CE2-CB 3.73Å; F324-I335 HydrophobicContact CE2-CD1 4.06Å; F324-I335 HydrophobicContact CE2-CG2 3.39Å; F324-I335 HydrophobicContact CZ-CG2 4.32Å; F324-E336 HydrophobicContact CE1-CG 4.42Å; F324-E336 WeakPolarHBondContact CE1-OE1 3.38Å; F324-E336 HydrophobicContact CZ-CG 3.79Å |
| 325 | S | 80.2 | Confident | 78.2 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -12.4 | 176 | 63.9 | 0 | 0 | 0 | 0 | 114.5 | N321 V322 L323 | N321-S325 WeakPolarHBondContact O-CB 3.26Å; N321-S325 PolarHBondContact O-N 3.44Å; N321-S325 PolarHBondContact O-OG 2.94Å; V322-S325 PolarHBondContact O-OG 3.36Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 3.08Å |
| 326 | K | 81.2 | Confident | 78.5 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -10.7 | 176.1 | -62.8 | -177.3 | 176.1 | -170.9 | 0 | 113.8 | E293 L323 F324 | E293-K326 HydrophobicContact CG-CB 4.31Å; E293-K326 HydrophobicContact CG-CD 4.17Å; L323-K326 WeakPolarHBondContact O-CB 3.48Å; L323-K326 PolarHBondContact O-N 2.84Å; L323-K326 VanDerWaalsContact O-N 3.14Å; F324-K326 PolarHBondContact O-N 3.29Å; F324-K326 VanDerWaalsContact O-N 3.11Å |
| 327 | L | 81.4 | Confident | 78.5 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -79.5 | 157.8 | 179.9 | -65.6 | 178.1 | 0 | 0 | 0 | 111.6 | E293 W294 I297 F324 E331 Q332 I335 | E293-L327 HydrophobicContact CB-CD2 3.85Å; W294-L327 VanDerWaalsContact CA-CD2 3.5Å; W294-L327 HydrophobicContact CB-CD2 3.78Å; W294-L327 HydrophobicContact CE3-CD1 4.18Å; W294-L327 HydrophobicContact CE3-CD2 4.43Å; I297-L327 HydrophobicContact CD1-CD1 3.43Å; I297-L327 VanDerWaalsContact CD1-CD1 3.43Å; I297-L327 HydrophobicContact CD1-CG 4.05Å; F324-L327 HydrophobicContact CD2-CD1 4.14Å; F324-L327 WeakPolarHBondContact O-CB 3.47Å; F324-L327 PolarHBondContact O-N 3Å; F324-L327 VanDerWaalsContact O-N 3.12Å; L327-E331 HydrophobicContact CB-CB 4.09Å; L327-E331 HydrophobicContact CD1-CB 4.47Å; L327-Q332 HydrophobicContact CB-CG 3.98Å; L327-Q332 PolarHBondContact O-NE2 3.03Å; L327-I335 HydrophobicContact CD1-CD1 3.26Å |
| 328 | S | 80.6 | Confident | 78.2 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 34% | 0.336 | 38% | 0.377 | S | S | . | . | trans | -63.9 | 153 | 170.5 | 68 | 0 | 0 | 0 | 0 | 111 | E330 E331 Q332 | S328-E330 PolarHBondContact O-N 3.1Å; S328-E331 WeakPolarHBondContact CB-OE2 3.45Å; S328-E331 PolarHBondContact N-OE2 2.88Å; S328-E331 WeakPolarHBondContact O-CB 3.27Å; S328-E331 PolarHBondContact O-N 2.83Å; S328-E331 VanDerWaalsContact O-N 3.13Å; S328-E331 WeakPolarHBondContact OG-CB 3.49Å; S328-E331 WeakPolarHBondContact OG-CG 3.22Å; S328-E331 PolarHBondContact OG-N 3.41Å; S328-E331 PolarHBondContact OG-OE2 3.32Å; S328-Q332 WeakPolarHBondContact O-CG 3.45Å; S328-Q332 PolarHBondContact O-N 2.9Å | ||
| 329 | P | 76.6 | Confident | 77.9 | Confident | 103 Ų | 103 | 73 Ų | 73 | 67% | 0.669 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.7 | -28 | -178.1 | 23.9 | -34.4 | 0 | 0 | 0 | 113.3 | R333 | P329-R333 PolarHBondContact O-N 3.06Å; P329-R333 VanDerWaalsContact O-N 3.12Å |
| 330 | E | 70 | Confident | 77.5 | Confident | 155 Ų | 155 | 71 Ų | 71 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.4 | -44.8 | 174.1 | -66.7 | -173.8 | 174.1 | 0 | 0 | 111.6 | S328 R333 I334 | S328-E330 PolarHBondContact O-N 3.1Å; E330-R333 PolarHBondContact O-N 3.41Å; E330-I334 WeakPolarHBondContact O-CG1 3.19Å; E330-I334 PolarHBondContact O-N 3.5Å; E330-I334 VanDerWaalsContact O-N 3.15Å |
| 331 | E | 77.8 | Confident | 76.9 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.2 | -74.4 | 167.3 | 156.6 | 0 | 0 | 111.4 | W294 L327 S328 R333 I334 I335 | W294-E331 HydrophobicContact CD2-CB 4.37Å; W294-E331 HydrophobicContact CD2-CG 3.94Å; W294-E331 HydrophobicContact CE3-CB 3.5Å; W294-E331 VanDerWaalsContact CE3-CB 3.5Å; W294-E331 HydrophobicContact CE3-CG 3.56Å; W294-E331 HydrophobicContact CH2-CB 4.22Å; W294-E331 HydrophobicContact CH2-CG 4.17Å; W294-E331 HydrophobicContact CZ3-CB 3.41Å; W294-E331 VanDerWaalsContact CZ3-CB 3.41Å; W294-E331 HydrophobicContact CZ3-CG 3.69Å; W294-E331 WeakPolarHBondContact CZ3-O 3.04Å; L327-E331 HydrophobicContact CB-CB 4.09Å; L327-E331 HydrophobicContact CD1-CB 4.47Å; S328-E331 WeakPolarHBondContact CB-OE2 3.45Å; S328-E331 PolarHBondContact N-OE2 2.88Å; S328-E331 WeakPolarHBondContact O-CB 3.27Å; S328-E331 PolarHBondContact O-N 2.83Å; S328-E331 VanDerWaalsContact O-N 3.13Å; S328-E331 WeakPolarHBondContact OG-CB 3.49Å; S328-E331 WeakPolarHBondContact OG-CG 3.22Å; S328-E331 PolarHBondContact OG-N 3.41Å; S328-E331 PolarHBondContact OG-OE2 3.32Å; E331-R333 VanDerWaalsContact C-N 3.34Å; E331-R333 PolarHBondContact O-N 2.81Å; E331-I334 PolarHBondContact O-N 3.38Å; E331-I335 PolarHBondContact O-N 2.87Å; E331-I335 VanDerWaalsContact O-N 3.07Å |
| 332 | Q | 80 | Confident | 76 | Confident | 50 Ų | 50 | 69 Ų | 69 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 174.9 | -73 | 177.6 | -6.8 | 0 | 0 | 111.6 | F324 L327 S328 I334 I335 E336 | F324-Q332 HydrophobicContact CD1-CG 4.27Å; F324-Q332 HydrophobicContact CD2-CG 4.37Å; F324-Q332 HydrophobicContact CE1-CB 3.97Å; F324-Q332 HydrophobicContact CE1-CG 3.8Å; F324-Q332 HydrophobicContact CE2-CB 3.95Å; F324-Q332 HydrophobicContact CE2-CG 3.89Å; F324-Q332 VanDerWaalsContact CZ-CA 3.48Å; F324-Q332 HydrophobicContact CZ-CB 3.43Å; F324-Q332 VanDerWaalsContact CZ-CB 3.43Å; F324-Q332 HydrophobicContact CZ-CG 3.59Å; F324-Q332 WeakPolarHBondContact CZ-O 3.43Å; F324-Q332 PolarHBondContact O-NE2 3.29Å; L327-Q332 HydrophobicContact CB-CG 3.98Å; L327-Q332 PolarHBondContact O-NE2 3.03Å; S328-Q332 WeakPolarHBondContact O-CG 3.45Å; S328-Q332 PolarHBondContact O-N 2.9Å; Q332-I334 PolarHBondContact O-N 3.43Å; Q332-I335 PolarHBondContact O-N 3.2Å; Q332-E336 WeakPolarHBondContact O-CG 3.41Å; Q332-E336 PolarHBondContact O-N 3.48Å |
| 333 | R | 75.9 | Confident | 75.2 | Confident | 156 Ų | 156 | 68.3 Ų | 68.3 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 179.4 | -156.2 | -170.1 | 91.4 | -161.7 | 1.1 | 112.5 | P329 E330 E331 I335 E336 E337 | P329-R333 PolarHBondContact O-N 3.06Å; P329-R333 VanDerWaalsContact O-N 3.12Å; E330-R333 PolarHBondContact O-N 3.41Å; E331-R333 VanDerWaalsContact C-N 3.34Å; E331-R333 PolarHBondContact O-N 2.81Å; R333-I335 VanDerWaalsContact C-N 3.32Å; R333-I335 PolarHBondContact O-N 3.25Å; R333-E336 PolarHBondContact O-N 2.93Å; R333-E337 IonicContact CZ-OE1 2.81Å; R333-E337 IonicContact NE-OE1 3.21Å; R333-E337 PolarHBondContact NE-OE1 3.46Å; R333-E337 IonicContact NH2-OE1 3.83Å; R333-E337 PolarHBondContact NH2-OE1 3.47Å; R333-E337 WeakPolarHBondContact O-CB 3.13Å; R333-E337 VanDerWaalsContact O-CG 3.31Å; R333-E337 WeakPolarHBondContact O-CG 3.47Å; R333-E337 PolarHBondContact O-N 3.36Å |
| 334 | I | 75 | Confident | 74.8 | Confident | 71 Ų | 71 | 73.6 Ų | 73.6 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 178.6 | -65.8 | 165.3 | 0 | 0 | 0 | 110.6 | W294 E330 E331 Q332 E337 E338 | W294-I334 HydrophobicContact CH2-CB 4.11Å; W294-I334 HydrophobicContact CH2-CD1 4.31Å; W294-I334 HydrophobicContact CH2-CG2 3.96Å; E330-I334 WeakPolarHBondContact O-CG1 3.19Å; E330-I334 PolarHBondContact O-N 3.5Å; E330-I334 VanDerWaalsContact O-N 3.15Å; E331-I334 PolarHBondContact O-N 3.38Å; Q332-I334 PolarHBondContact O-N 3.43Å; I334-E337 PolarHBondContact O-N 2.89Å; I334-E338 WeakPolarHBondContact O-CG 3.32Å; I334-E338 PolarHBondContact O-N 3.43Å |
| 335 | I | 75.7 | Confident | 74 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 177.9 | -76.8 | 158.7 | 0 | 0 | 0 | 111.5 | W294 I297 I301 F324 L327 E331 Q332 R333 E337 E338 Q339 | W294-I335 HydrophobicContact CE3-CD1 3.67Å; W294-I335 HydrophobicContact CE3-CG1 4.36Å; W294-I335 HydrophobicContact CH2-CG1 4.4Å; W294-I335 HydrophobicContact CZ3-CD1 3.4Å; W294-I335 VanDerWaalsContact CZ3-CD1 3.4Å; W294-I335 HydrophobicContact CZ3-CG1 3.66Å; I297-I335 HydrophobicContact CB-CD1 4.18Å; I297-I335 HydrophobicContact CG2-CD1 3.52Å; I297-I335 HydrophobicContact CG2-CG1 4.01Å; I297-I335 HydrophobicContact CG2-CG2 4.07Å; I301-I335 HydrophobicContact CD1-CB 4.14Å; I301-I335 HydrophobicContact CD1-CG1 3.91Å; I301-I335 HydrophobicContact CD1-CG2 3.51Å; F324-I335 HydrophobicContact CD2-CD1 4.28Å; F324-I335 HydrophobicContact CD2-CG2 3.96Å; F324-I335 HydrophobicContact CE2-CB 3.73Å; F324-I335 HydrophobicContact CE2-CD1 4.06Å; F324-I335 HydrophobicContact CE2-CG2 3.39Å; F324-I335 HydrophobicContact CZ-CG2 4.32Å; L327-I335 HydrophobicContact CD1-CD1 3.26Å; E331-I335 PolarHBondContact O-N 2.87Å; E331-I335 VanDerWaalsContact O-N 3.07Å; Q332-I335 PolarHBondContact O-N 3.2Å; R333-I335 VanDerWaalsContact C-N 3.32Å; R333-I335 PolarHBondContact O-N 3.25Å; I335-E337 VanDerWaalsContact C-N 3.35Å; I335-E338 PolarHBondContact O-N 3.32Å; I335-Q339 HydrophobicContact CG2-CG 4.25Å; I335-Q339 WeakPolarHBondContact O-CB 3.43Å; I335-Q339 VanDerWaalsContact O-CG 3.31Å; I335-Q339 WeakPolarHBondContact O-CG 3.43Å; I335-Q339 PolarHBondContact O-N 3.12Å |
| 336 | E | 78.6 | Confident | 72.9 | Confident | 102 Ų | 102 | 76.5 Ų | 76.5 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.7 | -77.3 | 169.4 | -174.9 | 0 | 0 | 111.4 | F324 Q332 R333 Q339 S340 | F324-E336 HydrophobicContact CE1-CG 4.42Å; F324-E336 WeakPolarHBondContact CE1-OE1 3.38Å; F324-E336 HydrophobicContact CZ-CG 3.79Å; Q332-E336 WeakPolarHBondContact O-CG 3.41Å; Q332-E336 PolarHBondContact O-N 3.48Å; R333-E336 PolarHBondContact O-N 2.93Å; E336-Q339 PolarHBondContact O-N 3.35Å; E336-S340 WeakPolarHBondContact O-CB 3.29Å; E336-S340 PolarHBondContact O-N 2.94Å; E336-S340 PolarHBondContact O-OG 3.25Å |
| 337 | E | 75.9 | Confident | 71.5 | Confident | 98 Ų | 98 | 79 Ų | 79 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 172.1 | -74.2 | 173.8 | -157.2 | 0 | 0 | 110.7 | R333 I334 I335 S340 A341 | R333-E337 IonicContact CZ-OE1 2.81Å; R333-E337 IonicContact NE-OE1 3.21Å; R333-E337 PolarHBondContact NE-OE1 3.46Å; R333-E337 IonicContact NH2-OE1 3.83Å; R333-E337 PolarHBondContact NH2-OE1 3.47Å; R333-E337 WeakPolarHBondContact O-CB 3.13Å; R333-E337 VanDerWaalsContact O-CG 3.31Å; R333-E337 WeakPolarHBondContact O-CG 3.47Å; R333-E337 PolarHBondContact O-N 3.36Å; I334-E337 PolarHBondContact O-N 2.89Å; I335-E337 VanDerWaalsContact C-N 3.35Å; E337-S340 PolarHBondContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 3.15Å; E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 3.46Å |
| 338 | E | 72.2 | Confident | 70 | Confident | 74 Ų | 74 | 82 Ų | 82 | 35% | 0.346 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 176.3 | -75.8 | -172.3 | 167 | 0 | 0 | 113.3 | I301 I334 I335 A341 L342 | I301-E338 HydrophobicContact CG2-CB 4.43Å; I334-E338 WeakPolarHBondContact O-CG 3.32Å; I334-E338 PolarHBondContact O-N 3.43Å; I335-E338 PolarHBondContact O-N 3.32Å; E338-A341 PolarHBondContact O-N 3.22Å; E338-L342 PolarHBondContact O-N 3.28Å; E338-L342 VanDerWaalsContact O-N 3.08Å |
| 339 | Q | 71.5 | Confident | 68.7 | Low | 68 Ų | 68 | 83.4 Ų | 83.4 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 177.3 | -75.6 | 179.5 | 13.7 | 0 | 0 | 111.5 | I301 Q320 I335 E336 A341 L342 V343 | I301-Q339 HydrophobicContact CD1-CG 4.4Å; I301-Q339 HydrophobicContact CG1-CG 4.47Å; Q320-Q339 VanDerWaalsContact NE2-NE2 3.14Å; I335-Q339 HydrophobicContact CG2-CG 4.25Å; I335-Q339 WeakPolarHBondContact O-CB 3.43Å; I335-Q339 VanDerWaalsContact O-CG 3.31Å; I335-Q339 WeakPolarHBondContact O-CG 3.43Å; I335-Q339 PolarHBondContact O-N 3.12Å; E336-Q339 PolarHBondContact O-N 3.35Å; Q339-A341 VanDerWaalsContact C-N 3.32Å; Q339-A341 PolarHBondContact O-N 3.23Å; Q339-L342 WeakPolarHBondContact O-CB 3.06Å; Q339-L342 PolarHBondContact O-N 3.42Å; Q339-V343 WeakPolarHBondContact O-CG2 3.48Å; Q339-V343 PolarHBondContact O-N 3.4Å; Q339-V343 VanDerWaalsContact O-N 3.11Å |
| 340 | S | 68.7 | Low | 67.6 | Low | 60 Ų | 60 | 84 Ų | 84 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.3 | 72 | 0 | 0 | 0 | 0 | 111.8 | E336 E337 L342 V343 N344 | E336-S340 WeakPolarHBondContact O-CB 3.29Å; E336-S340 PolarHBondContact O-N 2.94Å; E336-S340 PolarHBondContact O-OG 3.25Å; E337-S340 PolarHBondContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 3.15Å; S340-L342 VanDerWaalsContact C-N 3.34Å; S340-L342 PolarHBondContact O-N 3.22Å; S340-V343 PolarHBondContact O-N 3.04Å; S340-N344 WeakPolarHBondContact O-CB 3.44Å; S340-N344 PolarHBondContact O-N 2.97Å; S340-N344 PolarHBondContact O-ND2 3.47Å |
| 341 | A | 71.5 | Confident | 66.7 | Low | 50 Ų | 50 | 83.7 Ų | 83.7 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E337 E338 Q339 N344 E345 | E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 3.46Å; E338-A341 PolarHBondContact O-N 3.22Å; Q339-A341 VanDerWaalsContact C-N 3.32Å; Q339-A341 PolarHBondContact O-N 3.23Å; A341-N344 PolarHBondContact O-N 3.31Å; A341-E345 PolarHBondContact O-N 3.24Å; A341-E345 VanDerWaalsContact O-N 3.09Å |
| 342 | L | 62.9 | Low | 65.3 | Low | 12 Ų | 12 | 83 Ų | 83 | 6% | 0.063 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 178.2 | -153.6 | 159.7 | 0 | 0 | 0 | 111.9 | I301 M304 R305 E338 Q339 S340 | I301-L342 HydrophobicContact CG2-CD1 4.23Å; M304-L342 HydrophobicContact CB-CD1 4.26Å; R305-L342 HydrophobicContact CB-CD1 3.62Å; R305-L342 HydrophobicContact CB-CG 4.18Å; R305-L342 HydrophobicContact CG-CD1 4.2Å; R305-L342 HydrophobicContact CG-CG 4.28Å; E338-L342 PolarHBondContact O-N 3.28Å; E338-L342 VanDerWaalsContact O-N 3.08Å; Q339-L342 WeakPolarHBondContact O-CB 3.06Å; Q339-L342 PolarHBondContact O-N 3.42Å; S340-L342 VanDerWaalsContact C-N 3.34Å; S340-L342 PolarHBondContact O-N 3.22Å |
| 343 | V | 66.2 | Low | 64 | Low | 76 Ų | 76 | 82.8 Ų | 82.8 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 173.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | Q339 S340 E345 Y346 | Q339-V343 WeakPolarHBondContact O-CG2 3.48Å; Q339-V343 PolarHBondContact O-N 3.4Å; Q339-V343 VanDerWaalsContact O-N 3.11Å; S340-V343 PolarHBondContact O-N 3.04Å; V343-E345 VanDerWaalsContact C-N 3.32Å; V343-E345 PolarHBondContact O-N 3.35Å; V343-Y346 PolarHBondContact O-N 3.36Å |
| 344 | N | 67.8 | Low | 63.1 | Low | 126 Ų | 126 | 79 Ų | 79 | 67% | 0.674 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.1 | -22.2 | -179.7 | -68.7 | -22.5 | 0 | 0 | 0 | 114 | S340 A341 Y346 | S340-N344 WeakPolarHBondContact O-CB 3.44Å; S340-N344 PolarHBondContact O-N 2.97Å; S340-N344 PolarHBondContact O-ND2 3.47Å; A341-N344 PolarHBondContact O-N 3.31Å; N344-Y346 PolarHBondContact O-N 2.96Å |
| 345 | E | 63.4 | Low | 61.9 | Low | 105 Ų | 105 | 82 Ų | 82 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.6 | 175.9 | -83.7 | -177.1 | 176.8 | 0 | 0 | 113.1 | R305 A341 V343 | R305-E345 IonicContact CZ-OE1 3.24Å; R305-E345 IonicContact NE-OE1 3.94Å; R305-E345 PolarHBondContact NE-OE1 3.32Å; R305-E345 IonicContact NE-OE2 2.76Å; R305-E345 IonicContact NH2-OE1 2.89Å; R305-E345 PolarHBondContact NH2-OE1 2.95Å; A341-E345 PolarHBondContact O-N 3.24Å; A341-E345 VanDerWaalsContact O-N 3.09Å; V343-E345 VanDerWaalsContact C-N 3.32Å; V343-E345 PolarHBondContact O-N 3.35Å |
| 346 | Y | 57.4 | Low | 60.5 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 25% | 0.251 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -86.8 | 111.4 | 173.9 | -76.3 | -92.2 | 0 | 0 | 0 | 111 | R308 P310 V343 N344 D348 L352 | R308-Y346 VanDerWaalsContact C-OH 3.32Å; R308-Y346 WeakPolarHBondContact CA-OH 3.33Å; R308-Y346 VanDerWaalsContact CB-OH 3.25Å; R308-Y346 WeakPolarHBondContact CB-OH 3.21Å; R308-Y346 PolarHBondContact O-OH 3.18Å; P310-Y346 HydrophobicContact CB-CE2 4.06Å; V343-Y346 PolarHBondContact O-N 3.36Å; N344-Y346 PolarHBondContact O-N 2.96Å; Y346-D348 PolarHBondContact O-N 3.49Å; Y346-L352 HydrophobicContact CD1-CD1 3.46Å; Y346-L352 VanDerWaalsContact CD1-CD1 3.46Å; Y346-L352 HydrophobicContact CE1-CD1 3.66Å; Y346-L352 HydrophobicContact CG-CD1 3.95Å |
| 347 | N | 52 | Low | 59.2 | Low | 170 Ų | 170 | 84.5 Ų | 84.5 | 91% | 0.909 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -53.6 | -11 | -176.3 | -74.4 | -20.1 | 0 | 0 | 0 | 116.4 | ||
| 348 | D | 50.8 | Low | 57.9 | Low | 79 Ų | 79 | 86.3 Ų | 86.3 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | trans | -151.2 | 77.8 | -175.5 | -144.6 | -7.6 | 0 | 0 | 0 | 109.8 | Y346 N350 K351 L352 | Y346-D348 PolarHBondContact O-N 3.49Å; D348-N350 PolarHBondContact O-N 2.88Å; D348-N350 VanDerWaalsContact O-N 3.08Å; D348-K351 HydrophobicContact CB-CB 4Å; D348-K351 PolarHBondContact O-N 3.31Å; D348-L352 PolarHBondContact O-N 2.91Å | ||
| 349 | P | 52.8 | Low | 56.6 | Low | 77 Ų | 77 | 90.5 Ų | 90.5 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.3 | -27 | -177.6 | 22.8 | -33.5 | 0 | 0 | 0 | 111.8 | A353 | P349-A353 WeakPolarHBondContact O-CB 3.31Å; P349-A353 PolarHBondContact O-N 3.25Å |
| 350 | N | 53.8 | Low | 55.3 | Low | 117 Ų | 117 | 92 Ų | 92 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.9 | -38.9 | 176.5 | -67.9 | -21.5 | 0 | 0 | 0 | 112.6 | D348 L352 A353 V354 | D348-N350 PolarHBondContact O-N 2.88Å; D348-N350 VanDerWaalsContact O-N 3.08Å; N350-L352 VanDerWaalsContact C-N 3.34Å; N350-A353 PolarHBondContact O-N 2.68Å; N350-V354 WeakPolarHBondContact O-CB 3.43Å; N350-V354 WeakPolarHBondContact O-CG2 3.37Å; N350-V354 PolarHBondContact O-N 2.89Å |
| 351 | K | 51.9 | Low | 54 | Low | 147 Ų | 147 | 92.8 Ų | 92.8 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.2 | -38.1 | 177.6 | -124.7 | 178.3 | -172.5 | 172.4 | 0 | 111.5 | D348 V354 E355 | D348-K351 HydrophobicContact CB-CB 4Å; D348-K351 PolarHBondContact O-N 3.31Å; K351-V354 PolarHBondContact O-N 2.9Å; K351-E355 PolarHBondContact O-N 3.1Å |
| 352 | L | 47.6 | Very low | 52.6 | Low | 41 Ų | 41 | 99.6 Ų | 99.6 | 22% | 0.215 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 175.4 | -159.6 | 116.5 | 0 | 0 | 0 | 111.7 | P310 Y346 D348 N350 V354 E355 C356 | P310-L352 HydrophobicContact CB-CD1 4.3Å; P310-L352 HydrophobicContact CB-CD2 3.55Å; P310-L352 HydrophobicContact CG-CD1 4.04Å; P310-L352 HydrophobicContact CG-CD2 3.65Å; P310-L352 HydrophobicContact CG-CG 4.25Å; Y346-L352 HydrophobicContact CD1-CD1 3.46Å; Y346-L352 VanDerWaalsContact CD1-CD1 3.46Å; Y346-L352 HydrophobicContact CE1-CD1 3.66Å; Y346-L352 HydrophobicContact CG-CD1 3.95Å; D348-L352 PolarHBondContact O-N 2.91Å; N350-L352 VanDerWaalsContact C-N 3.34Å; L352-V354 VanDerWaalsContact C-N 3.31Å; L352-V354 PolarHBondContact O-N 3.2Å; L352-E355 PolarHBondContact O-N 2.93Å; L352-C356 VanDerWaalsContact O-CB 3.29Å; L352-C356 WeakPolarHBondContact O-CB 3.45Å; L352-C356 PolarHBondContact O-N 3.3Å; L352-C356 PolarHBondContact O-SG 3.48Å |
| 353 | A | 53.5 | Low | 51.3 | Low | 45 Ų | 45 | 102.9 Ų | 102.9 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P349 N350 M357 | P349-A353 WeakPolarHBondContact O-CB 3.31Å; P349-A353 PolarHBondContact O-N 3.25Å; N350-A353 PolarHBondContact O-N 2.68Å; A353-M357 WeakPolarHBondContact O-CB 3.4Å; A353-M357 VanDerWaalsContact O-CG 3.28Å; A353-M357 WeakPolarHBondContact O-CG 3.49Å; A353-M357 PolarHBondContact O-N 3.48Å |
| 354 | V | 55.6 | Low | 49.8 | Very low | 76 Ų | 76 | 104.3 Ų | 104.3 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | N350 K351 L352 M357 Q358 | N350-V354 WeakPolarHBondContact O-CB 3.43Å; N350-V354 WeakPolarHBondContact O-CG2 3.37Å; N350-V354 PolarHBondContact O-N 2.89Å; K351-V354 PolarHBondContact O-N 2.9Å; L352-V354 VanDerWaalsContact C-N 3.31Å; L352-V354 PolarHBondContact O-N 3.2Å; V354-M357 PolarHBondContact O-N 3.28Å; V354-Q358 WeakPolarHBondContact O-CB 3.47Å; V354-Q358 WeakPolarHBondContact O-CG 3.42Å; V354-Q358 PolarHBondContact O-N 3.38Å |
| 355 | E | 49.4 | Very low | 48.6 | Very low | 136 Ų | 136 | 106.1 Ų | 106.1 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 173.9 | -100.9 | -170.9 | 157 | 0 | 0 | 112.3 | K351 L352 K359 | K351-E355 PolarHBondContact O-N 3.1Å; L352-E355 PolarHBondContact O-N 2.93Å; E355-K359 PolarHBondContact O-N 3.31Å |
| 356 | C | 47.6 | Very low | 47.4 | Very low | 37 Ų | 37 | 104.5 Ų | 104.5 | 25% | 0.25 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.1 | -50.5 | 172.3 | -75.7 | 0 | 0 | 0 | 0 | 110.3 | L352 Q358 K359 F360 | L352-C356 VanDerWaalsContact O-CB 3.29Å; L352-C356 WeakPolarHBondContact O-CB 3.45Å; L352-C356 PolarHBondContact O-N 3.3Å; L352-C356 PolarHBondContact O-SG 3.48Å; C356-Q358 VanDerWaalsContact C-N 3.33Å; C356-Q358 PolarHBondContact O-N 3.21Å; C356-K359 PolarHBondContact O-N 3.34Å; C356-K359 VanDerWaalsContact O-N 3.16Å; C356-F360 HydrophobicContact CB-CD2 4.21Å; C356-F360 HydrophobicContact CB-CE2 4.32Å; C356-F360 WeakPolarHBondContact O-CB 3.37Å; C356-F360 WeakPolarHBondContact O-CD2 3.27Å; C356-F360 PolarHBondContact O-N 2.74Å |
| 357 | M | 49.9 | Very low | 46.3 | Very low | 117 Ų | 117 | 105.9 Ų | 105.9 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.2 | -40.7 | 177.9 | -84.5 | -176.9 | 68 | 0 | 0 | 112.2 | A353 V354 K359 F360 D361 | A353-M357 WeakPolarHBondContact O-CB 3.4Å; A353-M357 VanDerWaalsContact O-CG 3.28Å; A353-M357 WeakPolarHBondContact O-CG 3.49Å; A353-M357 PolarHBondContact O-N 3.48Å; V354-M357 PolarHBondContact O-N 3.28Å; M357-K359 VanDerWaalsContact C-N 3.35Å; M357-K359 PolarHBondContact O-N 3.11Å; M357-F360 CarbonylContact O-C 3.6Å; M357-F360 PolarHBondContact O-N 3.45Å; M357-D361 WeakPolarHBondContact O-CB 3.39Å; M357-D361 PolarHBondContact O-N 3.44Å |
| 358 | Q | 49.1 | Very low | 45.4 | Very low | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.4 | -36.3 | 177.8 | -76.7 | -178.5 | -1.7 | 0 | 0 | 112.9 | V354 C356 | V354-Q358 WeakPolarHBondContact O-CB 3.47Å; V354-Q358 WeakPolarHBondContact O-CG 3.42Å; V354-Q358 PolarHBondContact O-N 3.38Å; C356-Q358 VanDerWaalsContact C-N 3.33Å; C356-Q358 PolarHBondContact O-N 3.21Å |
| 359 | K | 45 | Very low | 44.2 | Very low | 163 Ų | 163 | 110 Ų | 110 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.1 | -31.6 | 172.4 | -74.4 | -176.7 | 178.6 | 174.9 | 0 | 112.2 | E355 C356 M357 | E355-K359 PolarHBondContact O-N 3.31Å; C356-K359 PolarHBondContact O-N 3.34Å; C356-K359 VanDerWaalsContact O-N 3.16Å; M357-K359 VanDerWaalsContact C-N 3.35Å; M357-K359 PolarHBondContact O-N 3.11Å |
| 360 | F | 45.2 | Very low | 43 | Very low | 100 Ų | 100 | 112.4 Ų | 112.4 | 44% | 0.439 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75.2 | -33.8 | 176.2 | -82.7 | -69.1 | 0 | 0 | 0 | 113 | C356 M357 Y362 V363 Q364 | C356-F360 HydrophobicContact CB-CD2 4.21Å; C356-F360 HydrophobicContact CB-CE2 4.32Å; C356-F360 WeakPolarHBondContact O-CB 3.37Å; C356-F360 WeakPolarHBondContact O-CD2 3.27Å; C356-F360 PolarHBondContact O-N 2.74Å; M357-F360 CarbonylContact O-C 3.6Å; M357-F360 PolarHBondContact O-N 3.45Å; F360-Y362 VanDerWaalsContact C-N 3.26Å; F360-Y362 PolarHBondContact O-N 2.78Å; F360-V363 CarbonylContact O-C 3.57Å; F360-V363 WeakPolarHBondContact O-CA 3.49Å; F360-V363 WeakPolarHBondContact O-CB 3.43Å; F360-V363 PolarHBondContact O-N 3.28Å; F360-Q364 PolarHBondContact O-N 3.1Å |
| 361 | D | 39.9 | Very low | 41.7 | Very low | 75 Ų | 75 | 114.5 Ų | 114.5 | 40% | 0.401 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -31.7 | 177.9 | -100.2 | -8.1 | 0 | 0 | 0 | 112 | M357 V363 Q364 K365 | M357-D361 WeakPolarHBondContact O-CB 3.39Å; M357-D361 PolarHBondContact O-N 3.44Å; D361-V363 VanDerWaalsContact C-N 3.29Å; D361-V363 PolarHBondContact O-N 3.09Å; D361-Q364 PolarHBondContact O-N 3.02Å; D361-K365 WeakPolarHBondContact O-CB 3.49Å; D361-K365 WeakPolarHBondContact O-CG 3.43Å; D361-K365 PolarHBondContact O-N 3.3Å |
| 362 | Y | 43.8 | Very low | 40.4 | Very low | 193 Ų | 193 | 113.6 Ų | 113.6 | 76% | 0.757 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.5 | -34.7 | 171.8 | -170.3 | -95.8 | 0 | 0 | 0 | 111.8 | F360 A366 | F360-Y362 VanDerWaalsContact C-N 3.26Å; F360-Y362 PolarHBondContact O-N 2.78Å; Y362-A366 PolarHBondContact O-N 2.93Å |
| 363 | V | 35.8 | Very low | 39.4 | Very low | 82 Ų | 82 | 119 Ų | 119 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78.8 | -36.6 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | F360 D361 A366 T367 | F360-V363 CarbonylContact O-C 3.57Å; F360-V363 WeakPolarHBondContact O-CA 3.49Å; F360-V363 WeakPolarHBondContact O-CB 3.43Å; F360-V363 PolarHBondContact O-N 3.28Å; D361-V363 VanDerWaalsContact C-N 3.29Å; D361-V363 PolarHBondContact O-N 3.09Å; V363-A366 CarbonylContact O-C 3.59Å; V363-A366 WeakPolarHBondContact O-CB 3.45Å; V363-A366 PolarHBondContact O-N 3.21Å; V363-A366 VanDerWaalsContact O-N 3.13Å; V363-T367 PolarHBondContact O-N 3.01Å; V363-T367 PolarHBondContact O-OG1 3.48Å; V363-T367 VanDerWaalsContact O-OG1 3.11Å |
| 364 | Q | 34.5 | Very low | 38.1 | Very low | 106 Ų | 106 | 125 Ų | 125 | 50% | 0.495 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.9 | -35.7 | 179.1 | -163.2 | 170.8 | 0.3 | 0 | 0 | 112.1 | F360 D361 A366 T367 Q368 | F360-Q364 PolarHBondContact O-N 3.1Å; D361-Q364 PolarHBondContact O-N 3.02Å; Q364-A366 VanDerWaalsContact C-N 3.26Å; Q364-A366 PolarHBondContact O-N 3.49Å; Q364-T367 PolarHBondContact O-N 3.33Å; Q364-T367 PolarHBondContact O-OG1 3.45Å; Q364-Q368 PolarHBondContact O-N 2.86Å |
| 365 | K | 41.1 | Very low | 36.5 | Very low | 164 Ų | 164 | 131 Ų | 131 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.9 | -24.3 | 169.1 | -75.1 | -175.5 | -179.4 | 177.3 | 0 | 112.9 | D361 | D361-K365 WeakPolarHBondContact O-CB 3.49Å; D361-K365 WeakPolarHBondContact O-CG 3.43Å; D361-K365 PolarHBondContact O-N 3.3Å |
| 366 | A | 38.5 | Very low | 35.4 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.9 | -23.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y362 V363 Q364 | Y362-A366 PolarHBondContact O-N 2.93Å; V363-A366 CarbonylContact O-C 3.59Å; V363-A366 WeakPolarHBondContact O-CB 3.45Å; V363-A366 PolarHBondContact O-N 3.21Å; V363-A366 VanDerWaalsContact O-N 3.13Å; Q364-A366 VanDerWaalsContact C-N 3.26Å; Q364-A366 PolarHBondContact O-N 3.49Å |
| 367 | T | 34.4 | Very low | 34.3 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 57% | 0.571 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -100.7 | -6 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 115.4 | V363 Q364 F369 | V363-T367 PolarHBondContact O-N 3.01Å; V363-T367 PolarHBondContact O-OG1 3.48Å; V363-T367 VanDerWaalsContact O-OG1 3.11Å; Q364-T367 PolarHBondContact O-N 3.33Å; Q364-T367 PolarHBondContact O-OG1 3.45Å; T367-F369 PolarHBondContact O-N 2.98Å |
| 368 | Q | 32.4 | Very low | 33 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 67% | 0.673 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 2.5 | 174 | -85.8 | -175.3 | -18 | 0 | 0 | 115.2 | Q364 | Q364-Q368 PolarHBondContact O-N 2.86Š|
| 369 | F | 27.5 | Very low | 31.9 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 84% | 0.842 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 44.8 | 173.7 | -81.1 | -75.7 | 0 | 0 | 0 | 113.1 | T367 | T367-F369 PolarHBondContact O-N 2.98Š|
| 370 | V | 27.7 | Very low | 30.9 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | -149.1 | 72.5 | 160.9 | -167.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 371 | D | 24.8 | Very low | 29.8 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | trans | -107.2 | 95.1 | 162.1 | -94 | -26.8 | 0 | 0 | 0 | 108 | ||||
| 372 | V | 25.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 147 Ų | 147 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -144.3 | 104.9 | 160.9 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 373 | D | 25.8 | Very low | 28.2 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | 27.1 | 101.5 | 144 | -70.5 | -32.1 | 0 | 0 | 0 | 119.9 | K375 | D373-K375 PolarHBondContact O-N 3.33Å; D373-K375 VanDerWaalsContact O-N 3.13Å | ||
| 374 | I | 25.9 | Very low | 27.7 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 84.9 | 162.8 | -60.7 | 167.9 | 0 | 0 | 0 | 108.7 | ||||
| 375 | K | 23.6 | Very low | 27.2 | Very low | 201 Ų | 201 | 157.3 Ų | 157.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -108.7 | 89.6 | 150.1 | -84.6 | -174.8 | 178.8 | 175.2 | 0 | 108.4 | D373 | D373-K375 PolarHBondContact O-N 3.33Å; D373-K375 VanDerWaalsContact O-N 3.13Å | ||
| 376 | S | 25.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 154.9 Ų | 154.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -168.7 | 77.3 | 154.1 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 377 | L | 24.4 | Very low | 26.5 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -89.1 | 119.7 | 143.4 | -178.5 | 72.7 | 0 | 0 | 0 | 104.8 | ||||
| 378 | E | 22.9 | Very low | 26.6 | Very low | 175 Ų | 175 | 157.4 Ų | 157.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 175.9 | 122.8 | 138.9 | -97.7 | 169.9 | -157.9 | 0 | 0 | 114.4 | ||||
| 379 | S | 25.4 | Very low | 26.9 | Very low | 99 Ų | 99 | 157 Ų | 157 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | trans | 80.1 | 114.3 | 140.7 | 80.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 380 | K | 23.4 | Very low | 27.6 | Very low | 199 Ų | 199 | 153.5 Ų | 153.5 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | 171.5 | 93.9 | 103.3 | -88.7 | 170.4 | -174.7 | 175.3 | 0 | 110.7 | |||||
| 381 | T | 22.4 | Very low | 28.2 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -135.9 | 112.9 | 148.5 | 22.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 382 | K | 27.7 | Very low | 29.3 | Very low | 209 Ų | 209 | 151.7 Ų | 151.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -73 | 123.4 | 174.5 | -70.5 | 174.6 | 173.7 | 179.7 | 0 | 107.2 | ||||
| 383 | E | 22.4 | Very low | 30.3 | Very low | 194 Ų | 194 | 149.6 Ų | 149.6 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -148.8 | 141.5 | 160.1 | -108.6 | 165.9 | -155.9 | 0 | 0 | 109.1 | ||||
| 384 | Q | 25 | Very low | 31.4 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 142.4 | -157.8 | -69.3 | 156.6 | -35.5 | 0 | 0 | 112.5 | P386 | Q384-P386 WeakPolarHBondContact O-CD 3.22Š|
| 385 | K | 24.1 | Very low | 32.7 | Very low | 212 Ų | 212 | 146.5 Ų | 146.5 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 122.3 | 172.6 | -80.7 | 178.1 | 170.9 | -179.7 | 0 | 111.2 | ||
| 386 | P | 30.4 | Very low | 34.2 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 156.2 | 159.7 | 33.5 | -22.7 | 0 | 0 | 0 | 110.6 | Q384 | Q384-P386 WeakPolarHBondContact O-CD 3.22Š|
| 387 | A | 35.4 | Very low | 35.7 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -106.9 | 30.9 | -155.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 388 | D | 35.9 | Very low | 37.4 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | -91 | -10.2 | -173 | -63.3 | -24.4 | 0 | 0 | 0 | 114.9 | I390 | D388-I390 VanDerWaalsContact C-N 3.27Å; D388-I390 PolarHBondContact O-N 3.03Å | ||
| 389 | D | 39.4 | Very low | 39.2 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69 | -16.1 | -177.5 | -79.2 | -19.1 | 0 | 0 | 0 | 115.2 | T393 | D389-T393 PolarHBondContact O-OG1 3.35Å |
| 390 | I | 41.5 | Very low | 40.8 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.5 | -29.7 | -172.9 | -61 | 174.5 | 0 | 0 | 0 | 111.7 | D388 T393 | D388-I390 VanDerWaalsContact C-N 3.27Å; D388-I390 PolarHBondContact O-N 3.03Å; I390-T393 PolarHBondContact O-OG1 2.87Å |
| 391 | L | 41.6 | Very low | 42.7 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 72% | 0.723 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.3 | -43.2 | -174.8 | -150.9 | 90.2 | 0 | 0 | 0 | 112.6 | T393 E394 E395 | L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.47Å; L391-E394 PolarHBondContact O-N 2.9Å; L391-E395 PolarHBondContact O-N 3.39Å |
| 392 | L | 46.8 | Very low | 44.6 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 58% | 0.581 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.2 | -35.1 | 179.5 | -86.1 | 158.6 | 0 | 0 | 0 | 112.7 | E394 L396 | L392-E394 VanDerWaalsContact C-N 3.31Å; L392-E394 PolarHBondContact O-N 3.43Å; L392-L396 WeakPolarHBondContact O-CB 3.16Å; L392-L396 WeakPolarHBondContact O-CD1 3.49Å; L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 2.9Å |
| 393 | T | 46.2 | Very low | 46.1 | Very low | 84 Ų | 84 | 112.8 Ų | 112.8 | 52% | 0.515 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.3 | -23.7 | 179.8 | 40.8 | 0 | 0 | 0 | 0 | 113.2 | D389 I390 L391 K397 | D389-T393 PolarHBondContact O-OG1 3.35Å; I390-T393 PolarHBondContact O-OG1 2.87Å; L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.47Å; T393-K397 WeakPolarHBondContact O-CG 3.47Å; T393-K397 PolarHBondContact O-N 3.02Å |
| 394 | E | 48.9 | Very low | 47.9 | Very low | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.2 | -43.4 | 175.4 | -72.5 | -164.4 | 159.9 | 0 | 0 | 112.6 | L391 L392 L396 K397 L398 | L391-E394 PolarHBondContact O-N 2.9Å; L392-E394 VanDerWaalsContact C-N 3.31Å; L392-E394 PolarHBondContact O-N 3.43Å; E394-L396 VanDerWaalsContact C-N 3.33Å; E394-L396 PolarHBondContact O-N 3.3Å; E394-K397 WeakPolarHBondContact O-CB 3.31Å; E394-K397 PolarHBondContact O-N 3.16Å; E394-L398 PolarHBondContact O-N 3.48Å; E394-L398 VanDerWaalsContact O-N 3.14Å |
| 395 | E | 54.7 | Low | 49.7 | Very low | 133 Ų | 133 | 96.3 Ų | 96.3 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -38.4 | 179.7 | -152.8 | 173.1 | -156.6 | 0 | 0 | 111.8 | L391 L398 K399 | L391-E395 PolarHBondContact O-N 3.39Å; E395-L398 WeakPolarHBondContact O-CB 3.03Å; E395-L398 PolarHBondContact O-N 2.95Å; E395-K399 PolarHBondContact O-N 2.8Å |
| 396 | L | 54.3 | Low | 51.6 | Low | 46 Ų | 46 | 86.2 Ų | 86.2 | 24% | 0.241 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 174.8 | -81.9 | 163.7 | 0 | 0 | 0 | 113.3 | L392 E394 L398 I400 E442 | L392-L396 WeakPolarHBondContact O-CB 3.16Å; L392-L396 WeakPolarHBondContact O-CD1 3.49Å; L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 2.9Å; E394-L396 VanDerWaalsContact C-N 3.33Å; E394-L396 PolarHBondContact O-N 3.3Å; L396-L398 PolarHBondContact O-N 3.09Å; L396-I400 WeakPolarHBondContact O-CG1 3.39Å; L396-I400 PolarHBondContact O-N 3.33Å; L396-I400 VanDerWaalsContact O-N 3.16Å; L396-E442 WeakPolarHBondContact CD2-OE2 3.31Å |
| 397 | K | 57 | Low | 53 | Low | 139 Ų | 139 | 81.4 Ų | 81.4 | 60% | 0.604 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.5 | -40.8 | 172.9 | -95.2 | 179 | 174.7 | 176.3 | 0 | 110.8 | T393 E394 I400 D401 | T393-K397 WeakPolarHBondContact O-CG 3.47Å; T393-K397 PolarHBondContact O-N 3.02Å; E394-K397 WeakPolarHBondContact O-CB 3.31Å; E394-K397 PolarHBondContact O-N 3.16Å; K397-I400 PolarHBondContact O-N 3.4Å; K397-D401 WeakPolarHBondContact O-CB 3.15Å; K397-D401 VanDerWaalsContact O-CG 3.24Å; K397-D401 PolarHBondContact O-N 3.16Å |
| 398 | L | 59.6 | Low | 54.2 | Low | 106 Ų | 106 | 81 Ų | 81 | 56% | 0.555 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | -177.9 | -138.5 | 145.4 | 0 | 0 | 0 | 112 | E394 E395 L396 D401 E402 | E394-L398 PolarHBondContact O-N 3.48Å; E394-L398 VanDerWaalsContact O-N 3.14Å; E395-L398 WeakPolarHBondContact O-CB 3.03Å; E395-L398 PolarHBondContact O-N 2.95Å; L396-L398 PolarHBondContact O-N 3.09Å; L398-D401 PolarHBondContact O-N 2.83Å; L398-E402 WeakPolarHBondContact O-CG 3.03Å; L398-E402 PolarHBondContact O-N 3.37Å |
| 399 | K | 61.6 | Low | 55.2 | Low | 90 Ų | 90 | 77.1 Ų | 77.1 | 39% | 0.391 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 173.9 | -73.1 | -173.4 | -170.8 | 171.7 | 0 | 112.9 | E395 D401 E402 I403 E442 | E395-K399 PolarHBondContact O-N 2.8Å; K399-D401 VanDerWaalsContact C-N 3.28Å; K399-D401 PolarHBondContact O-N 3.05Å; K399-E402 PolarHBondContact O-N 3.13Å; K399-I403 WeakPolarHBondContact O-CD1 3.25Å; K399-I403 VanDerWaalsContact O-CG1 3.25Å; K399-I403 WeakPolarHBondContact O-CG1 3.43Å; K399-I403 PolarHBondContact O-N 3.29Å; K399-I403 VanDerWaalsContact O-N 3.07Å; K399-E442 IonicContact NZ-OE1 3.83Å; K399-E442 PolarHBondContact NZ-OE1 3.23Å |
| 400 | I | 59.5 | Low | 56.2 | Low | 50 Ų | 50 | 71.7 Ų | 71.7 | 26% | 0.256 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.1 | -68.2 | 168.9 | 0 | 0 | 0 | 110.4 | L396 K397 I403 H404 | L396-I400 WeakPolarHBondContact O-CG1 3.39Å; L396-I400 PolarHBondContact O-N 3.33Å; L396-I400 VanDerWaalsContact O-N 3.16Å; K397-I400 PolarHBondContact O-N 3.4Å; I400-I403 PolarHBondContact O-N 3.02Å; I400-H404 WeakPolarHBondContact O-CB 3.31Å; I400-H404 PolarHBondContact O-N 3.01Å |
| 401 | D | 62.2 | Low | 56.5 | Low | 74 Ų | 74 | 69.3 Ų | 69.3 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 177.9 | -71.7 | -25.8 | 0 | 0 | 0 | 112.2 | K397 L398 K399 I403 H404 A405 | K397-D401 WeakPolarHBondContact O-CB 3.15Å; K397-D401 VanDerWaalsContact O-CG 3.24Å; K397-D401 PolarHBondContact O-N 3.16Å; L398-D401 PolarHBondContact O-N 2.83Å; K399-D401 VanDerWaalsContact C-N 3.28Å; K399-D401 PolarHBondContact O-N 3.05Å; D401-I403 VanDerWaalsContact C-N 3.34Å; D401-I403 PolarHBondContact O-N 2.9Å; D401-H404 WeakPolarHBondContact O-CB 3.4Å; D401-H404 PolarHBondContact O-N 3.43Å; D401-A405 PolarHBondContact O-N 2.96Å |
| 402 | E | 62.7 | Low | 57 | Low | 77 Ų | 77 | 70.8 Ų | 70.8 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 172.3 | -74.2 | -179.8 | 176.5 | 0 | 0 | 112.5 | L398 K399 A405 F406 | L398-E402 WeakPolarHBondContact O-CG 3.03Å; L398-E402 PolarHBondContact O-N 3.37Å; K399-E402 PolarHBondContact O-N 3.13Å; E402-A405 WeakPolarHBondContact O-CB 3.4Å; E402-A405 PolarHBondContact O-N 2.83Å; E402-F406 PolarHBondContact O-N 3.34Å |
| 403 | I | 59.7 | Low | 57.2 | Low | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.9 | -38.5 | 176.5 | -67.2 | 167.5 | 0 | 0 | 0 | 111.1 | K399 I400 D401 A405 F406 L407 W435 L439 L475 | K399-I403 WeakPolarHBondContact O-CD1 3.25Å; K399-I403 VanDerWaalsContact O-CG1 3.25Å; K399-I403 WeakPolarHBondContact O-CG1 3.43Å; K399-I403 PolarHBondContact O-N 3.29Å; K399-I403 VanDerWaalsContact O-N 3.07Å; I400-I403 PolarHBondContact O-N 3.02Å; D401-I403 VanDerWaalsContact C-N 3.34Å; D401-I403 PolarHBondContact O-N 2.9Å; I403-A405 VanDerWaalsContact C-N 3.27Å; I403-A405 PolarHBondContact O-N 3.03Å; I403-F406 WeakPolarHBondContact O-CB 3.27Å; I403-F406 PolarHBondContact O-N 3.17Å; I403-F406 VanDerWaalsContact O-N 3.14Å; I403-L407 HydrophobicContact CG2-CD1 4.09Å; I403-L407 HydrophobicContact CG2-CG 4.33Å; I403-L407 WeakPolarHBondContact O-CG 3.45Å; I403-L407 PolarHBondContact O-N 2.85Å; I403-W435 HydrophobicContact CB-CZ3 4.14Å; I403-W435 HydrophobicContact CD1-CE3 3.88Å; I403-W435 HydrophobicContact CD1-CZ3 3.79Å; I403-W435 HydrophobicContact CG1-CE3 3.72Å; I403-W435 HydrophobicContact CG1-CZ3 3.58Å; I403-W435 HydrophobicContact CG2-CE3 4.48Å; I403-W435 HydrophobicContact CG2-CH2 3.96Å; I403-W435 HydrophobicContact CG2-CZ3 3.51Å; I403-L439 HydrophobicContact CD1-CD1 3.55Å; I403-L439 HydrophobicContact CD1-CD2 3.8Å; I403-L439 HydrophobicContact CD1-CG 4.14Å; I403-L475 HydrophobicContact CG2-CD1 3.86Å; I403-L475 HydrophobicContact CG2-CD2 3.68Å; I403-L475 HydrophobicContact CG2-CG 4.26Å |
| 404 | H | 59.5 | Low | 57.1 | Low | 30 Ų | 30 | 68 Ų | 68 | 14% | 0.139 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 169.8 | -104.3 | -168.9 | 0 | 0 | 0 | 111.7 | I400 D401 S408 V417 | I400-H404 WeakPolarHBondContact O-CB 3.31Å; I400-H404 PolarHBondContact O-N 3.01Å; D401-H404 WeakPolarHBondContact O-CB 3.4Å; D401-H404 PolarHBondContact O-N 3.43Å; H404-S408 WeakPolarHBondContact O-CB 3.33Å; H404-S408 PolarHBondContact O-N 3.38Å; H404-S408 PolarHBondContact O-OG 3.28Å; H404-V417 WeakPolarHBondContact NE2-CB 3.42Å; H404-V417 VanDerWaalsContact NE2-CG2 3.34Å; H404-V417 WeakPolarHBondContact NE2-CG2 3.25Å; H404-V417 PolarHBondContact NE2-N 3.4Å |
| 405 | A | 62 | Low | 56.9 | Low | 10 Ų | 10 | 66.7 Ų | 66.7 | 8% | 0.083 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D401 E402 I403 S408 S409 | D401-A405 PolarHBondContact O-N 2.96Å; E402-A405 WeakPolarHBondContact O-CB 3.4Å; E402-A405 PolarHBondContact O-N 2.83Å; I403-A405 VanDerWaalsContact C-N 3.27Å; I403-A405 PolarHBondContact O-N 3.03Å; A405-S408 WeakPolarHBondContact CA-OG 3.33Å; A405-S408 PolarHBondContact O-OG 3.33Å; A405-S408 VanDerWaalsContact O-OG 3.07Å; A405-S409 PolarHBondContact O-N 3.09Å; A405-S409 VanDerWaalsContact O-N 3.17Å |
| 406 | F | 64.2 | Low | 56.4 | Low | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 174.9 | -179.2 | -88.2 | 0 | 0 | 0 | 112.2 | E402 I403 S408 S409 I410 L429 W435 L516 | E402-F406 PolarHBondContact O-N 3.34Å; I403-F406 WeakPolarHBondContact O-CB 3.27Å; I403-F406 PolarHBondContact O-N 3.17Å; I403-F406 VanDerWaalsContact O-N 3.14Å; F406-S408 PolarHBondContact O-N 3.43Å; F406-S409 WeakPolarHBondContact O-CB 3.25Å; F406-S409 PolarHBondContact O-N 3.41Å; F406-S409 PolarHBondContact O-OG 2.9Å; F406-I410 HydrophobicContact CE1-CD1 4.47Å; F406-L429 HydrophobicContact CB-CD2 4.43Å; F406-L429 HydrophobicContact CD2-CB 4.2Å; F406-L429 HydrophobicContact CD2-CD2 3.43Å; F406-L429 VanDerWaalsContact CD2-CD2 3.43Å; F406-L429 HydrophobicContact CD2-CG 4.24Å; F406-L429 HydrophobicContact CE2-CD2 3.94Å; F406-L429 HydrophobicContact CG-CD2 4.2Å; F406-W435 HydrophobicContact CD1-CH2 4.16Å; F406-W435 AromaticContact CD1-CZ2 3.79Å; F406-W435 HydrophobicContact CD1-CZ2 3.79Å; F406-W435 HydrophobicContact CE1-CH2 4.44Å; F406-W435 AromaticContact CE1-CZ2 3.7Å; F406-W435 HydrophobicContact CE1-CZ2 3.7Å; F406-W435 HydrophobicContact CZ-CZ2 4.36Å; F406-L516 HydrophobicContact CE1-CB 4.3Å; F406-L516 HydrophobicContact CE1-CD1 3.76Å; F406-L516 HydrophobicContact CZ-CB 4.21Å; F406-L516 HydrophobicContact CZ-CD1 4.48Å |
| 407 | L | 61.5 | Low | 56.1 | Low | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | -178.9 | -67.6 | 175.5 | 0 | 0 | 0 | 112.4 | I403 S409 I410 L475 I482 | I403-L407 HydrophobicContact CG2-CD1 4.09Å; I403-L407 HydrophobicContact CG2-CG 4.33Å; I403-L407 WeakPolarHBondContact O-CG 3.45Å; I403-L407 PolarHBondContact O-N 2.85Å; L407-S409 VanDerWaalsContact C-N 3.28Å; L407-S409 PolarHBondContact O-N 3.2Å; L407-I410 PolarHBondContact O-N 3.43Å; L407-L475 HydrophobicContact CD1-CG 4.25Å; L407-I482 HydrophobicContact CD2-CD1 3.91Å |
| 408 | S | 59.1 | Low | 55.5 | Low | 74 Ų | 74 | 64 Ų | 64 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71 | -20 | 176.3 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | H404 A405 F406 I410 | H404-S408 WeakPolarHBondContact O-CB 3.33Å; H404-S408 PolarHBondContact O-N 3.38Å; H404-S408 PolarHBondContact O-OG 3.28Å; A405-S408 WeakPolarHBondContact CA-OG 3.33Å; A405-S408 PolarHBondContact O-OG 3.33Å; A405-S408 VanDerWaalsContact O-OG 3.07Å; F406-S408 PolarHBondContact O-N 3.43Å; S408-I410 PolarHBondContact O-N 3.11Å |
| 409 | S | 57.8 | Low | 54.9 | Low | 52 Ų | 52 | 66.1 Ų | 66.1 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.8 | 176 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | A405 F406 L407 P411 L429 | A405-S409 PolarHBondContact O-N 3.09Å; A405-S409 VanDerWaalsContact O-N 3.17Å; F406-S409 WeakPolarHBondContact O-CB 3.25Å; F406-S409 PolarHBondContact O-N 3.41Å; F406-S409 PolarHBondContact O-OG 2.9Å; L407-S409 VanDerWaalsContact C-N 3.28Å; L407-S409 PolarHBondContact O-N 3.2Å; S409-P411 WeakPolarHBondContact O-CD 3.42Å; S409-L429 WeakPolarHBondContact OG-CD2 3.39Å |
| 410 | I | 60.9 | Low | 53.8 | Low | 22 Ų | 22 | 65.1 Ų | 65.1 | 11% | 0.113 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -85.3 | 113.3 | 178 | -55.4 | 171.8 | 0 | 0 | 0 | 107.9 | F406 L407 S408 V413 I482 | F406-I410 HydrophobicContact CE1-CD1 4.47Å; L407-I410 PolarHBondContact O-N 3.43Å; S408-I410 PolarHBondContact O-N 3.11Å; I410-V413 HydrophobicContact CB-CG2 4.36Å; I410-V413 HydrophobicContact CG2-CG2 4.29Å; I410-V413 WeakPolarHBondContact O-CG2 3.29Å; I410-I482 HydrophobicContact CB-CG2 4.42Å; I410-I482 HydrophobicContact CD1-CG2 3.71Å; I410-I482 HydrophobicContact CG2-CG2 3.91Å |
| 411 | P | 46.9 | Very low | 52.9 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 147.6 | -171.9 | 26.4 | -31.3 | 0 | 0 | 0 | 112.8 | S409 M509 | S409-P411 WeakPolarHBondContact O-CD 3.42Å; P411-M509 HydrophobicContact CG-CE 3.27Å; P411-M509 HydrophobicContact CG-SD 3.63Å |
| 412 | N | 51.8 | Low | 51.5 | Low | 169 Ų | 169 | 70.6 Ų | 70.6 | 90% | 0.904 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 17.6 | -174.9 | -61.6 | -16 | 0 | 0 | 0 | 117.1 | ||
| 413 | V | 50.6 | Low | 50.4 | Low | 52 Ų | 52 | 72.7 Ų | 72.7 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | trans | -102.1 | 102.7 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | I410 C415 I482 | I410-V413 HydrophobicContact CB-CG2 4.36Å; I410-V413 HydrophobicContact CG2-CG2 4.29Å; I410-V413 WeakPolarHBondContact O-CG2 3.29Å; V413-C415 HydrophobicContact CG1-CB 4.01Å; V413-C415 PolarHBondContact O-N 3.14Å; V413-I482 HydrophobicContact CG1-CD1 4.1Å; V413-I482 HydrophobicContact CG1-CG1 4.34Å; V413-I482 HydrophobicContact CG2-CG1 4.28Å; V413-I482 HydrophobicContact CG2-CG2 4.37Å | ||
| 414 | G | 44.4 | Very low | 49.8 | Very low | 84 Ų | 84 | 75.8 Ų | 75.8 | 87% | 0.866 | 48% | 0.482 | S | S | * | . | trans | -82.1 | 35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 415 | C | 44.1 | Very low | 48.9 | Very low | 100 Ų | 100 | 78.5 Ų | 78.5 | 68% | 0.676 | 50% | 0.503 | S | S | * | . | trans | -119.5 | 91.3 | -172.7 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | V413 | V413-C415 HydrophobicContact CG1-CB 4.01Å; V413-C415 PolarHBondContact O-N 3.14Å | ||
| 416 | C | 44.2 | Very low | 48 | Very low | 39 Ų | 39 | 84 Ų | 84 | 26% | 0.264 | 54% | 0.54 | S | S | . | . | trans | -80.2 | 112.7 | 154 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | M418 N419 | C416-M418 PolarHBondContact O-N 3.43Å; C416-N419 PolarHBondContact O-N 2.92Å | ||
| 417 | V | 48.7 | Very low | 47.3 | Very low | 94 Ų | 94 | 85.8 Ų | 85.8 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -18.4 | -179.7 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | H404 | H404-V417 WeakPolarHBondContact NE2-CB 3.42Å; H404-V417 VanDerWaalsContact NE2-CG2 3.34Å; H404-V417 WeakPolarHBondContact NE2-CG2 3.25Å; H404-V417 PolarHBondContact NE2-N 3.4Å |
| 418 | M | 45.1 | Very low | 46.8 | Very low | 130 Ų | 130 | 90.2 Ų | 90.2 | 64% | 0.64 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 2.4 | 178.9 | -65.1 | -71.6 | -89.1 | 0 | 0 | 114.4 | C416 C420 | C416-M418 PolarHBondContact O-N 3.43Å; M418-C420 PolarHBondContact O-N 3.34Å; M418-C420 VanDerWaalsContact O-N 3.11Å |
| 419 | N | 45.5 | Very low | 46.6 | Very low | 149 Ų | 149 | 89.8 Ų | 89.8 | 80% | 0.797 | 58% | 0.583 | S | S | * | * | trans | 51.2 | 30.5 | -177 | -90.6 | -4.2 | 0 | 0 | 0 | 114.1 | C416 T421 | C416-N419 PolarHBondContact O-N 2.92Å; N419-T421 PolarHBondContact O-N 3.23Å | ||
| 420 | C | 38.8 | Very low | 46.6 | Very low | 69 Ų | 69 | 88.6 Ų | 88.6 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | trans | -79.5 | 108.8 | -179.3 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | M418 S422 | M418-C420 PolarHBondContact O-N 3.34Å; M418-C420 VanDerWaalsContact O-N 3.11Å; C420-S422 PolarHBondContact O-N 2.77Å | ||
| 421 | T | 41.1 | Very low | 46.4 | Very low | 150 Ų | 150 | 94.8 Ų | 94.8 | 92% | 0.92 | 61% | 0.607 | S | S | * | * | trans | -77 | 6.6 | 179.2 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | N419 | N419-T421 PolarHBondContact O-N 3.23Š| ||
| 422 | S | 33.6 | Very low | 47.2 | Very low | 90 Ų | 90 | 94 Ų | 94 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -142.5 | 116.7 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | C420 | C420-S422 PolarHBondContact O-N 2.77Š|
| 423 | S | 38.5 | Very low | 47.8 | Very low | 120 Ų | 120 | 88.9 Ų | 88.9 | 84% | 0.839 | 57% | 0.574 | S | S | * | * | trans | 47.1 | 93.6 | 167.6 | 62 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 424 | C | 46.6 | Very low | 48.5 | Very low | 76 Ų | 76 | 87.5 Ų | 87.5 | 51% | 0.514 | 57% | 0.567 | S | S | . | * | trans | -75.9 | 137.2 | 164.6 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 425 | P | 40.8 | Very low | 49.8 | Very low | 87 Ų | 87 | 84.4 Ų | 84.4 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | trans | -73 | 129.9 | -179 | 27.1 | -31.6 | 0 | 0 | 0 | 112.2 | G427 | P425-G427 PolarHBondContact O-N 3.11Š| ||
| 426 | S | 44.3 | Very low | 51.1 | Low | 124 Ų | 124 | 79.7 Ų | 79.7 | 87% | 0.867 | 50% | 0.497 | S | S | * | . | trans | -84.7 | 80.6 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 427 | G | 48.7 | Very low | 52.4 | Low | 40 Ų | 40 | 78.1 Ų | 78.1 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 159 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | P425 | P425-G427 PolarHBondContact O-N 3.11Š|
| 428 | S | 51.7 | Low | 53.5 | Low | 104 Ų | 104 | 77.3 Ų | 77.3 | 73% | 0.727 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 131.1 | 174.6 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 429 | L | 55.1 | Low | 54.7 | Low | 64 Ų | 64 | 71.3 Ų | 71.3 | 34% | 0.335 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -64 | 139.6 | 179.5 | -63.2 | 98 | 0 | 0 | 0 | 111.3 | F406 S409 N431 | F406-L429 HydrophobicContact CB-CD2 4.43Å; F406-L429 HydrophobicContact CD2-CB 4.2Å; F406-L429 HydrophobicContact CD2-CD2 3.43Å; F406-L429 VanDerWaalsContact CD2-CD2 3.43Å; F406-L429 HydrophobicContact CD2-CG 4.24Å; F406-L429 HydrophobicContact CE2-CD2 3.94Å; F406-L429 HydrophobicContact CG-CD2 4.2Å; S409-L429 WeakPolarHBondContact OG-CD2 3.39Å; L429-N431 PolarHBondContact O-N 3.36Å |
| 430 | P | 56.9 | Low | 56.1 | Low | 28 Ų | 28 | 64.2 Ų | 64.2 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 123.3 | 174.1 | 24.2 | -31.4 | 0 | 0 | 0 | 110.6 | S432 W435 | P430-S432 PolarHBondContact O-N 3.2Å; P430-W435 HydrophobicContact CB-CB 4.36Å; P430-W435 HydrophobicContact CG-CB 4.34Å; P430-W435 HydrophobicContact CG-CG 4.35Å |
| 431 | N | 57.2 | Low | 57.7 | Low | 151 Ų | 151 | 62.6 Ų | 62.6 | 81% | 0.807 | 40% | 0.398 | S | S | * | . | trans | -80.6 | 3.9 | 178.3 | -72.9 | -25.3 | 0 | 0 | 0 | 113.7 | L429 | L429-N431 PolarHBondContact O-N 3.36Š| ||
| 432 | S | 62.6 | Low | 59.2 | Low | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | trans | -89.5 | 134.3 | -177.3 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | P430 C434 W435 | P430-S432 PolarHBondContact O-N 3.2Å; S432-C434 PolarHBondContact O-N 3.46Å; S432-C434 PolarHBondContact OG-N 3.47Å; S432-C434 VanDerWaalsContact OG-N 3.15Å; S432-W435 VanDerWaalsContact O-CD1 3.23Å | ||
| 433 | E | 65 | Low | 61.3 | Low | 63 Ų | 63 | 53.5 Ų | 53.5 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.7 | 171.7 | -64.5 | -177.2 | 170.2 | 0 | 0 | 112.8 | L515 K518 G519 | E433-L515 HydrophobicContact CG-CD2 3.84Å; E433-K518 HydrophobicContact CG-CD 4.29Å; E433-K518 WeakPolarHBondContact OE1-CD 3.28Å; E433-K518 IonicContact OE1-NZ 3.42Å; E433-K518 PolarHBondContact OE1-NZ 3.12Å; E433-G519 WeakPolarHBondContact O-CA 3.32Å |
| 434 | C | 66.7 | Low | 62.9 | Low | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0.7 | -172.5 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | S432 L436 S437 D438 | S432-C434 PolarHBondContact O-N 3.46Å; S432-C434 PolarHBondContact OG-N 3.47Å; S432-C434 VanDerWaalsContact OG-N 3.15Å; C434-L436 PolarHBondContact O-N 3.08Å; C434-L436 VanDerWaalsContact O-N 3.11Å; C434-S437 WeakPolarHBondContact CA-OG 3.36Å; C434-S437 PolarHBondContact O-N 2.79Å; C434-S437 PolarHBondContact O-OG 3.11Å; C434-D438 PolarHBondContact O-N 3.14Å |
| 435 | W | 70.7 | Confident | 63.6 | Low | 19 Ų | 19 | 46.5 Ų | 46.5 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.2 | -39 | -173.5 | 73 | -88.8 | 0 | 0 | 0 | 113.4 | I403 F406 P430 S432 L439 L516 | I403-W435 HydrophobicContact CB-CZ3 4.14Å; I403-W435 HydrophobicContact CD1-CE3 3.88Å; I403-W435 HydrophobicContact CD1-CZ3 3.79Å; I403-W435 HydrophobicContact CG1-CE3 3.72Å; I403-W435 HydrophobicContact CG1-CZ3 3.58Å; I403-W435 HydrophobicContact CG2-CE3 4.48Å; I403-W435 HydrophobicContact CG2-CH2 3.96Å; I403-W435 HydrophobicContact CG2-CZ3 3.51Å; F406-W435 HydrophobicContact CD1-CH2 4.16Å; F406-W435 AromaticContact CD1-CZ2 3.79Å; F406-W435 HydrophobicContact CD1-CZ2 3.79Å; F406-W435 HydrophobicContact CE1-CH2 4.44Å; F406-W435 AromaticContact CE1-CZ2 3.7Å; F406-W435 HydrophobicContact CE1-CZ2 3.7Å; F406-W435 HydrophobicContact CZ-CZ2 4.36Å; P430-W435 HydrophobicContact CB-CB 4.36Å; P430-W435 HydrophobicContact CG-CB 4.34Å; P430-W435 HydrophobicContact CG-CG 4.35Å; S432-W435 VanDerWaalsContact O-CD1 3.23Å; W435-L439 PolarHBondContact O-N 3.09Å; W435-L439 VanDerWaalsContact O-N 3.14Å; W435-L516 HydrophobicContact CZ2-CD1 4.48Å |
| 436 | L | 72.1 | Confident | 64.5 | Low | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.8 | -33.2 | -179 | -166.7 | 71.4 | 0 | 0 | 0 | 111.9 | C434 L440 L475 V476 I520 V523 | C434-L436 PolarHBondContact O-N 3.08Å; C434-L436 VanDerWaalsContact O-N 3.11Å; L436-L440 PolarHBondContact O-N 2.94Å; L436-L475 HydrophobicContact CD1-CD2 4.45Å; L436-V476 HydrophobicContact CD1-CG2 4.08Å; L436-I520 HydrophobicContact CD2-CG1 4.17Å; L436-V523 VanDerWaalsContact C-CG2 3.48Å; L436-V523 HydrophobicContact CB-CG2 3.73Å; L436-V523 HydrophobicContact CD2-CB 4.17Å; L436-V523 HydrophobicContact CD2-CG1 4.24Å; L436-V523 HydrophobicContact CD2-CG2 3.8Å; L436-V523 HydrophobicContact CG-CG2 3.68Å |
| 437 | S | 71.2 | Confident | 65.2 | Low | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.5 | -39 | 173.1 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | C434 L439 L440 L441 V523 L526 | C434-S437 WeakPolarHBondContact CA-OG 3.36Å; C434-S437 PolarHBondContact O-N 2.79Å; C434-S437 PolarHBondContact O-OG 3.11Å; S437-L439 VanDerWaalsContact C-N 3.3Å; S437-L439 PolarHBondContact O-N 2.97Å; S437-L440 PolarHBondContact O-N 2.72Å; S437-L441 VanDerWaalsContact O-CG 3.32Å; S437-L441 WeakPolarHBondContact O-CG 3.47Å; S437-L441 PolarHBondContact O-N 3.25Å; S437-V523 VanDerWaalsContact N-CG2 3.33Å; S437-L526 WeakPolarHBondContact O-CD1 3.33Å |
| 438 | D | 71.1 | Confident | 65.3 | Low | 77 Ų | 77 | 49.3 Ų | 49.3 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 178.1 | -62.9 | -20.9 | 0 | 0 | 0 | 111.3 | C434 | C434-D438 PolarHBondContact O-N 3.14Å |
| 439 | L | 71.1 | Confident | 65.4 | Low | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 173.3 | -168.9 | 81.9 | 0 | 0 | 0 | 112.2 | I403 W435 S437 L441 E442 L472 L475 | I403-L439 HydrophobicContact CD1-CD1 3.55Å; I403-L439 HydrophobicContact CD1-CD2 3.8Å; I403-L439 HydrophobicContact CD1-CG 4.14Å; W435-L439 PolarHBondContact O-N 3.09Å; W435-L439 VanDerWaalsContact O-N 3.14Å; S437-L439 VanDerWaalsContact C-N 3.3Å; S437-L439 PolarHBondContact O-N 2.97Å; L439-L441 VanDerWaalsContact C-N 3.32Å; L439-L441 PolarHBondContact O-N 3.07Å; L439-E442 WeakPolarHBondContact O-CB 3.49Å; L439-E442 PolarHBondContact O-N 3.31Å; L439-L472 HydrophobicContact CD1-CD2 3.93Å; L439-L472 HydrophobicContact CD2-CD2 3.85Å; L439-L472 HydrophobicContact CG-CD2 3.81Å; L439-L475 HydrophobicContact CD2-CD2 3.94Å |
| 440 | L | 73.9 | Confident | 65 | Low | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.2 | -24.4 | -179.5 | -80.5 | 176.9 | 0 | 0 | 0 | 113.5 | L436 S437 E442 I443 L473 V476 V523 L526 | L436-L440 PolarHBondContact O-N 2.94Å; S437-L440 PolarHBondContact O-N 2.72Å; L440-E442 PolarHBondContact O-N 2.74Å; L440-I443 HydrophobicContact CD2-CD1 3.43Å; L440-I443 VanDerWaalsContact CD2-CD1 3.43Å; L440-I443 HydrophobicContact CD2-CG1 4.32Å; L440-I443 WeakPolarHBondContact O-CB 3.33Å; L440-I443 PolarHBondContact O-N 3.43Å; L440-I443 VanDerWaalsContact O-N 3.1Å; L440-L473 HydrophobicContact CD2-CD2 4.24Å; L440-V476 HydrophobicContact CD1-CG2 3.98Å; L440-V476 HydrophobicContact CD2-CG2 3.88Å; L440-V476 HydrophobicContact CG-CG2 4.02Å; L440-V523 HydrophobicContact CD1-CB 4.27Å; L440-V523 HydrophobicContact CD1-CG1 3.25Å; L440-V523 HydrophobicContact CD1-CG2 4.12Å; L440-L526 HydrophobicContact CB-CB 4.49Å; L440-L526 HydrophobicContact CB-CD1 4.14Å; L440-L526 HydrophobicContact CD1-CB 4.47Å |
| 441 | L | 73.7 | Confident | 64.5 | Low | 34 Ų | 34 | 48 Ų | 48 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -26.8 | 171.7 | -77.5 | 168.9 | 0 | 0 | 0 | 111.8 | S437 L439 I443 F444 L526 F634 L637 | S437-L441 VanDerWaalsContact O-CG 3.32Å; S437-L441 WeakPolarHBondContact O-CG 3.47Å; S437-L441 PolarHBondContact O-N 3.25Å; L439-L441 VanDerWaalsContact C-N 3.32Å; L439-L441 PolarHBondContact O-N 3.07Å; L441-I443 PolarHBondContact O-N 2.95Å; L441-F444 PolarHBondContact O-N 2.83Å; L441-F444 VanDerWaalsContact O-N 3.08Å; L441-L526 HydrophobicContact CD2-CD1 4.41Å; L441-L526 HydrophobicContact CD2-CD2 3.79Å; L441-L526 HydrophobicContact CG-CD1 4.16Å; L441-L526 HydrophobicContact CG-CD2 4.37Å; L441-F634 HydrophobicContact CD1-CB 4.37Å; L441-L637 HydrophobicContact CD2-CD2 3.68Å |
| 442 | E | 72.4 | Confident | 63.8 | Low | 50 Ų | 50 | 46.4 Ų | 46.4 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.3 | 176.2 | -66 | 178.3 | 174.8 | 0 | 0 | 113.5 | L396 K399 L439 L440 F444 Y469 | L396-E442 WeakPolarHBondContact CD2-OE2 3.31Å; K399-E442 IonicContact NZ-OE1 3.83Å; K399-E442 PolarHBondContact NZ-OE1 3.23Å; L439-E442 WeakPolarHBondContact O-CB 3.49Å; L439-E442 PolarHBondContact O-N 3.31Å; L440-E442 PolarHBondContact O-N 2.74Å; E442-F444 PolarHBondContact O-N 3.04Å; E442-Y469 VanDerWaalsContact O-CE1 3.26Å; E442-Y469 WeakPolarHBondContact O-CE1 3.43Å |
| 443 | I | 76.4 | Confident | 62.7 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -31.2 | 172.5 | -60.2 | -176.1 | 0 | 0 | 0 | 110.8 | L440 L441 S445 Y469 L472 L473 I538 | L440-I443 HydrophobicContact CD2-CD1 3.43Å; L440-I443 VanDerWaalsContact CD2-CD1 3.43Å; L440-I443 HydrophobicContact CD2-CG1 4.32Å; L440-I443 WeakPolarHBondContact O-CB 3.33Å; L440-I443 PolarHBondContact O-N 3.43Å; L440-I443 VanDerWaalsContact O-N 3.1Å; L441-I443 PolarHBondContact O-N 2.95Å; I443-S445 PolarHBondContact O-N 3.41Å; I443-Y469 HydrophobicContact CB-CD1 4.25Å; I443-Y469 HydrophobicContact CG1-CD1 4.03Å; I443-Y469 HydrophobicContact CG1-CG 4.44Å; I443-Y469 HydrophobicContact CG2-CD1 4.41Å; I443-Y469 HydrophobicContact CG2-CG 4.25Å; I443-L472 HydrophobicContact CD1-CB 4.43Å; I443-L472 HydrophobicContact CG1-CD1 4.06Å; I443-L473 HydrophobicContact CD1-CD2 4.03Å; I443-L473 HydrophobicContact CD1-CG 3.99Å; I443-I538 HydrophobicContact CG2-CG2 4.32Å |
| 444 | F | 71.9 | Confident | 61.4 | Low | 15 Ų | 15 | 50.1 Ų | 50.1 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -101.3 | 79.7 | -176.4 | -64.4 | -74.7 | 0 | 0 | 0 | 109.7 | L441 E442 F449 L526 A529 C530 L637 | L441-F444 PolarHBondContact O-N 2.83Å; L441-F444 VanDerWaalsContact O-N 3.08Å; E442-F444 PolarHBondContact O-N 3.04Å; F444-F449 HydrophobicContact CB-CE2 4.01Å; F444-F449 AromaticContact CD1-CE2 3.6Å; F444-F449 HydrophobicContact CD1-CE2 3.6Å; F444-F449 AromaticContact CD1-CZ 3.62Å; F444-F449 HydrophobicContact CD1-CZ 3.62Å; F444-F449 HydrophobicContact CE1-CE2 4.48Å; F444-F449 HydrophobicContact CE1-CZ 4.08Å; F444-F449 HydrophobicContact CG-CE2 4.17Å; F444-L526 HydrophobicContact CD2-CD2 4.38Å; F444-L526 HydrophobicContact CE2-CD2 4.21Å; F444-A529 HydrophobicContact CE2-CB 4.48Å; F444-A529 HydrophobicContact CZ-CB 3.99Å; F444-C530 HydrophobicContact CZ-CB 4.38Å; F444-L637 HydrophobicContact CB-CD1 4.24Å; F444-L637 HydrophobicContact CB-CD2 3.85Å; F444-L637 HydrophobicContact CD1-CD1 4.4Å; F444-L637 HydrophobicContact CD1-CD2 4.45Å; F444-L637 HydrophobicContact CD2-CD2 3.57Å; F444-L637 HydrophobicContact CE2-CD2 4.17Å; F444-L637 HydrophobicContact CG-CD1 4.27Å; F444-L637 HydrophobicContact CG-CD2 3.71Å |
| 445 | S | 62.5 | Low | 60 | Low | 34 Ų | 34 | 55.1 Ų | 55.1 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | trans | -59.5 | 151.5 | 169.7 | 58.4 | 0 | 0 | 0 | 0 | 111 | I443 E447 C448 | I443-S445 PolarHBondContact O-N 3.41Å; S445-E447 PolarHBondContact O-N 3.13Å; S445-E447 VanDerWaalsContact O-N 3.08Å; S445-C448 WeakPolarHBondContact O-CB 3.46Å; S445-C448 PolarHBondContact O-N 3.47Å | ||
| 446 | D | 59.4 | Low | 58.2 | Low | 146 Ų | 146 | 60.3 Ų | 60.3 | 78% | 0.781 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -55.5 | -29.4 | 176.9 | -80.4 | -29.3 | 0 | 0 | 0 | 111.6 | C448 F449 G450 | D446-C448 VanDerWaalsContact C-N 3.32Å; D446-C448 PolarHBondContact O-N 3.24Å; D446-F449 PolarHBondContact O-N 3.45Å; D446-G450 PolarHBondContact O-N 3.01Å |
| 447 | E | 58.2 | Low | 56.6 | Low | 147 Ų | 147 | 67.7 Ų | 67.7 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -65.5 | -28.7 | 174.3 | -63 | -173.7 | 166.9 | 0 | 0 | 114 | S445 F449 G450 | S445-E447 PolarHBondContact O-N 3.13Å; S445-E447 VanDerWaalsContact O-N 3.08Å; E447-F449 PolarHBondContact O-N 3.45Å; E447-G450 PolarHBondContact O-N 2.93Å |
| 448 | C | 51.9 | Low | 55.1 | Low | 16 Ų | 16 | 75.5 Ų | 75.5 | 11% | 0.108 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -60.2 | -21.7 | -179 | -154.6 | 0 | 0 | 0 | 0 | 112.1 | S445 D446 Y461 | S445-C448 WeakPolarHBondContact O-CB 3.46Å; S445-C448 PolarHBondContact O-N 3.47Å; D446-C448 VanDerWaalsContact C-N 3.32Å; D446-C448 PolarHBondContact O-N 3.24Å; C448-Y461 PolarHBondContact SG-OH 2.84Å |
| 449 | F | 54.1 | Low | 54 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -124.5 | 2.1 | 178.7 | -57.4 | -85.7 | 0 | 0 | 0 | 114.7 | F444 D446 E447 L637 K640 V641 R644 | F444-F449 HydrophobicContact CB-CE2 4.01Å; F444-F449 AromaticContact CD1-CE2 3.6Å; F444-F449 HydrophobicContact CD1-CE2 3.6Å; F444-F449 AromaticContact CD1-CZ 3.62Å; F444-F449 HydrophobicContact CD1-CZ 3.62Å; F444-F449 HydrophobicContact CE1-CE2 4.48Å; F444-F449 HydrophobicContact CE1-CZ 4.08Å; F444-F449 HydrophobicContact CG-CE2 4.17Å; D446-F449 PolarHBondContact O-N 3.45Å; E447-F449 PolarHBondContact O-N 3.45Å; F449-L637 HydrophobicContact CD2-CD1 3.92Å; F449-L637 HydrophobicContact CE1-CD1 4.31Å; F449-L637 HydrophobicContact CE2-CD1 3.21Å; F449-L637 HydrophobicContact CZ-CD1 3.45Å; F449-L637 VanDerWaalsContact CZ-CD1 3.45Å; F449-K640 HydrophobicContact CB-CD 3.92Å; F449-K640 HydrophobicContact CD1-CD 4.19Å; F449-K640 HydrophobicContact CD1-CG 4.37Å; F449-K640 HydrophobicContact CG-CD 4.08Å; F449-V641 HydrophobicContact CE1-CG2 3.82Å; F449-V641 HydrophobicContact CZ-CG2 3.91Å; F449-R644 VanDerWaalsContact CD1-NH1 3.27Å |
| 450 | G | 45.5 | Very low | 53 | Low | 48 Ų | 48 | 82.9 Ų | 82.9 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | trans | -70.9 | 143.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | D446 E447 | D446-G450 PolarHBondContact O-N 3.01Å; E447-G450 PolarHBondContact O-N 2.93Å | ||
| 451 | N | 46.1 | Very low | 52.4 | Low | 104 Ų | 104 | 84.3 Ų | 84.3 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | trans | 74.4 | 103.1 | -177.4 | -76.9 | -14.9 | 0 | 0 | 0 | 117.1 | N453 Q456 | N451-N453 PolarHBondContact O-N 3.36Å; N451-Q456 PolarHBondContact ND2-OE1 3.15Å; N451-Q456 VanDerWaalsContact ND2-OE1 3.1Å | ||
| 452 | N | 43.5 | Very low | 52 | Low | 117 Ų | 117 | 84.8 Ų | 84.8 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | trans | -71.3 | 4.2 | 164.3 | -70.4 | -27.2 | 0 | 0 | 0 | 113.5 | S454 | N452-S454 PolarHBondContact O-N 3.16Š| ||
| 453 | N | 38.6 | Very low | 51.7 | Low | 108 Ų | 108 | 90.9 Ų | 90.9 | 58% | 0.578 | 48% | 0.475 | S | S | * | . | trans | -87.9 | 109.8 | -179.6 | -65.8 | -12.4 | 0 | 0 | 0 | 108.5 | N451 D455 | N451-N453 PolarHBondContact O-N 3.36Å; N453-D455 PolarHBondContact O-N 3.43Å | ||
| 454 | S | 38.8 | Very low | 51.3 | Low | 86 Ų | 86 | 96.1 Ų | 96.1 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -10.9 | 173.6 | 47 | 0 | 0 | 0 | 0 | 114.6 | N452 H457 | N452-S454 PolarHBondContact O-N 3.16Å; S454-H457 PolarHBondContact O-CD2 3.09Å |
| 455 | D | 36.5 | Very low | 51.2 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 68% | 0.684 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.5 | -166.7 | -62.5 | -3 | 0 | 0 | 0 | 114 | N453 | N453-D455 PolarHBondContact O-N 3.43Š|
| 456 | Q | 32.6 | Very low | 51.6 | Low | 128 Ų | 128 | 99.1 Ų | 99.1 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | trans | -115.9 | 53.7 | 174.6 | -67.7 | -173.4 | -9.9 | 0 | 0 | 112.2 | N451 K458 | N451-Q456 PolarHBondContact ND2-OE1 3.15Å; N451-Q456 VanDerWaalsContact ND2-OE1 3.1Å; Q456-K458 PolarHBondContact O-N 2.86Å | ||
| 457 | H | 38.6 | Very low | 52.2 | Low | 156 Ų | 156 | 99.6 Ų | 99.6 | 72% | 0.722 | 51% | 0.508 | S | S | * | . | trans | -72.3 | 74.7 | 166.2 | -78.3 | -67.7 | 0 | 0 | 0 | 111 | S454 | S454-H457 PolarHBondContact O-CD2 3.09Š| ||
| 458 | K | 41.5 | Very low | 52.9 | Low | 169 Ų | 169 | 94.8 Ų | 94.8 | 74% | 0.735 | 49% | 0.486 | S | S | * | . | trans | -176.8 | 64.4 | 156.4 | -99.7 | 162.9 | -162.3 | -175.1 | 0 | 108.7 | Q456 H460 | Q456-K458 PolarHBondContact O-N 2.86Å; K458-H460 VanDerWaalsContact C-N 3.28Å; K458-H460 PolarHBondContact O-CD2 3.08Å; K458-H460 PolarHBondContact O-N 3.01Å | ||
| 459 | V | 47.3 | Very low | 54.2 | Low | 81 Ų | 81 | 94.8 Ų | 94.8 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | trans | -65.8 | 99 | 159.6 | -178.2 | 0 | 0 | 0 | 0 | 105.9 | Y461 | V459-Y461 VanDerWaalsContact C-N 3.31Å; V459-Y461 HydrophobicContact CB-CE2 4.2Å; V459-Y461 HydrophobicContact CG1-CD2 4.19Å; V459-Y461 HydrophobicContact CG1-CE1 4.41Å; V459-Y461 HydrophobicContact CG1-CE2 3.73Å; V459-Y461 PolarHBondContact O-N 3.36Å | ||
| 460 | H | 50.7 | Low | 55.1 | Low | 156 Ų | 156 | 95 Ų | 95 | 72% | 0.722 | 49% | 0.485 | S | S | * | . | trans | -77.9 | 83.2 | 179.2 | -79.8 | -71 | 0 | 0 | 0 | 108.8 | K458 S462 | K458-H460 VanDerWaalsContact C-N 3.28Å; K458-H460 PolarHBondContact O-CD2 3.08Å; K458-H460 PolarHBondContact O-N 3.01Å; H460-S462 PolarHBondContact O-N 3.49Å | ||
| 461 | Y | 60.7 | Low | 56.4 | Low | 29 Ų | 29 | 100.3 Ų | 100.3 | 11% | 0.114 | 49% | 0.49 | C | S | . | . | trans | -57.1 | 134 | 165.8 | -68.6 | -80.4 | 0 | 0 | 0 | 109.3 | C448 V459 E465 Y469 P534 | C448-Y461 PolarHBondContact SG-OH 2.84Å; V459-Y461 VanDerWaalsContact C-N 3.31Å; V459-Y461 HydrophobicContact CB-CE2 4.2Å; V459-Y461 HydrophobicContact CG1-CD2 4.19Å; V459-Y461 HydrophobicContact CG1-CE1 4.41Å; V459-Y461 HydrophobicContact CG1-CE2 3.73Å; V459-Y461 PolarHBondContact O-N 3.36Å; Y461-E465 WeakPolarHBondContact CA-OE2 3.13Å; Y461-E465 WeakPolarHBondContact CD1-OE2 3.49Å; Y461-Y469 HydrophobicContact CD1-CE2 4.28Å; Y461-Y469 HydrophobicContact CE1-CE2 4.45Å; Y461-P534 HydrophobicContact CE2-CB 4.18Å; Y461-P534 HydrophobicContact CE2-CG 3.56Å; Y461-P534 WeakPolarHBondContact OH-CG 3.26Å | ||
| 462 | S | 65.1 | Low | 57.7 | Low | 44 Ų | 44 | 95.6 Ų | 95.6 | 31% | 0.308 | 47% | 0.465 | S | S | . | . | trans | -62.3 | 144.6 | 175 | 73.1 | 0 | 0 | 0 | 0 | 108.8 | H460 V464 E465 I466 | H460-S462 PolarHBondContact O-N 3.49Å; S462-V464 PolarHBondContact O-N 3.33Å; S462-E465 WeakPolarHBondContact CB-OE1 3.5Å; S462-E465 PolarHBondContact N-OE2 3.17Å; S462-E465 VanDerWaalsContact N-OE2 3.09Å; S462-E465 PolarHBondContact O-N 3.42Å; S462-E465 VanDerWaalsContact O-N 3.09Å; S462-E465 WeakPolarHBondContact OG-CG 3.47Å; S462-E465 PolarHBondContact OG-N 3.37Å; S462-E465 VanDerWaalsContact OG-N 3.11Å; S462-E465 PolarHBondContact OG-OE1 3.05Å; S462-I466 PolarHBondContact O-N 3.25Å | ||
| 463 | K | 67 | Low | 59.4 | Low | 179 Ų | 179 | 90 Ų | 90 | 78% | 0.778 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -55.4 | -19.6 | 173.2 | -79.5 | -177.6 | 178.2 | 176.1 | 0 | 112.1 | R467 | K463-R467 VanDerWaalsContact O-CB 3.31Å; K463-R467 WeakPolarHBondContact O-CB 3.3Å; K463-R467 PolarHBondContact O-N 3.36Å |
| 464 | V | 67.1 | Low | 61.2 | Low | 109 Ų | 109 | 91.5 Ų | 91.5 | 66% | 0.661 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.6 | -48.6 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | S462 R467 H468 | S462-V464 PolarHBondContact O-N 3.33Å; V464-R467 PolarHBondContact O-N 3.45Å; V464-H468 WeakPolarHBondContact O-CB 3.38Å; V464-H468 PolarHBondContact O-N 3.34Å |
| 465 | E | 70.3 | Confident | 62.7 | Low | 74 Ų | 74 | 88 Ų | 88 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 175.3 | -78.3 | 144.5 | -131.7 | 0 | 0 | 112 | Y461 S462 R467 H468 Y469 | Y461-E465 WeakPolarHBondContact CA-OE2 3.13Å; Y461-E465 WeakPolarHBondContact CD1-OE2 3.49Å; S462-E465 WeakPolarHBondContact CB-OE1 3.5Å; S462-E465 PolarHBondContact N-OE2 3.17Å; S462-E465 VanDerWaalsContact N-OE2 3.09Å; S462-E465 PolarHBondContact O-N 3.42Å; S462-E465 VanDerWaalsContact O-N 3.09Å; S462-E465 WeakPolarHBondContact OG-CG 3.47Å; S462-E465 PolarHBondContact OG-N 3.37Å; S462-E465 VanDerWaalsContact OG-N 3.11Å; S462-E465 PolarHBondContact OG-OE1 3.05Å; E465-R467 PolarHBondContact O-N 3.48Å; E465-H468 CarbonylContact O-C 3.49Å; E465-H468 WeakPolarHBondContact O-CA 3.48Å; E465-H468 WeakPolarHBondContact O-CB 3.34Å; E465-H468 PolarHBondContact O-N 3.09Å; E465-Y469 HydrophobicContact CB-CD2 4.46Å; E465-Y469 HydrophobicContact CB-CE2 3.93Å; E465-Y469 VanDerWaalsContact O-CD2 3.24Å; E465-Y469 WeakPolarHBondContact O-CD2 3.46Å; E465-Y469 VanDerWaalsContact O-CG 3.27Å; E465-Y469 PolarHBondContact O-N 3.09Å |
| 466 | I | 70.8 | Confident | 64.6 | Low | 39 Ų | 39 | 82 Ų | 82 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 178.5 | -63.4 | 172 | 0 | 0 | 0 | 110.1 | S462 H468 Y469 I470 I537 | S462-I466 PolarHBondContact O-N 3.25Å; I466-H468 VanDerWaalsContact C-N 3.32Å; I466-H468 PolarHBondContact O-N 3.34Å; I466-Y469 PolarHBondContact O-N 3.29Å; I466-I470 HydrophobicContact CG2-CD1 3.77Å; I466-I470 HydrophobicContact CG2-CG1 4.46Å; I466-I470 WeakPolarHBondContact O-CB 3.47Å; I466-I470 WeakPolarHBondContact O-CD1 3.02Å; I466-I470 WeakPolarHBondContact O-CG1 3.31Å; I466-I470 PolarHBondContact O-N 3.09Å; I466-I537 HydrophobicContact CG2-CD1 4.3Å |
| 467 | R | 70.6 | Confident | 66.7 | Low | 156 Ų | 156 | 79 Ų | 79 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.7 | -34 | 178.1 | -167.2 | -176.5 | -67 | 169 | -3.1 | 111.9 | K463 V464 E465 R471 | K463-R467 VanDerWaalsContact O-CB 3.31Å; K463-R467 WeakPolarHBondContact O-CB 3.3Å; K463-R467 PolarHBondContact O-N 3.36Å; V464-R467 PolarHBondContact O-N 3.45Å; E465-R467 PolarHBondContact O-N 3.48Å; R467-R471 WeakPolarHBondContact O-CG 3.42Å; R467-R471 PolarHBondContact O-N 3.22Å |
| 468 | H | 74 | Confident | 68.2 | Low | 45 Ų | 45 | 73 Ų | 73 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 174.3 | 175 | 75.7 | 0 | 0 | 0 | 111.3 | V464 E465 I466 I470 R471 L472 | V464-H468 WeakPolarHBondContact O-CB 3.38Å; V464-H468 PolarHBondContact O-N 3.34Å; E465-H468 CarbonylContact O-C 3.49Å; E465-H468 WeakPolarHBondContact O-CA 3.48Å; E465-H468 WeakPolarHBondContact O-CB 3.34Å; E465-H468 PolarHBondContact O-N 3.09Å; I466-H468 VanDerWaalsContact C-N 3.32Å; I466-H468 PolarHBondContact O-N 3.34Å; H468-I470 VanDerWaalsContact C-N 3.35Å; H468-I470 PolarHBondContact O-N 2.97Å; H468-R471 WeakPolarHBondContact O-CA 3.32Å; H468-R471 VanDerWaalsContact O-CB 3.31Å; H468-R471 WeakPolarHBondContact O-CB 3.43Å; H468-R471 PolarHBondContact O-N 3.38Å; H468-L472 PolarHBondContact O-N 3.1Å |
| 469 | Y | 79.4 | Confident | 69.7 | Low | 17 Ų | 17 | 65 Ų | 65 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -38.5 | 177.5 | -57.4 | -35.1 | 0 | 0 | 0 | 113 | E442 I443 Y461 E465 I466 R471 L472 L473 I538 | E442-Y469 VanDerWaalsContact O-CE1 3.26Å; E442-Y469 WeakPolarHBondContact O-CE1 3.43Å; I443-Y469 HydrophobicContact CB-CD1 4.25Å; I443-Y469 HydrophobicContact CG1-CD1 4.03Å; I443-Y469 HydrophobicContact CG1-CG 4.44Å; I443-Y469 HydrophobicContact CG2-CD1 4.41Å; I443-Y469 HydrophobicContact CG2-CG 4.25Å; Y461-Y469 HydrophobicContact CD1-CE2 4.28Å; Y461-Y469 HydrophobicContact CE1-CE2 4.45Å; E465-Y469 HydrophobicContact CB-CD2 4.46Å; E465-Y469 HydrophobicContact CB-CE2 3.93Å; E465-Y469 VanDerWaalsContact O-CD2 3.24Å; E465-Y469 WeakPolarHBondContact O-CD2 3.46Å; E465-Y469 VanDerWaalsContact O-CG 3.27Å; E465-Y469 PolarHBondContact O-N 3.09Å; I466-Y469 PolarHBondContact O-N 3.29Å; Y469-R471 VanDerWaalsContact C-N 3.27Å; Y469-R471 PolarHBondContact O-N 2.97Å; Y469-L472 HydrophobicContact CD1-CD1 4.36Å; Y469-L472 PolarHBondContact O-N 2.72Å; Y469-L473 PolarHBondContact O-N 3.11Å; Y469-I538 VanDerWaalsContact CB-CD1 3.48Å; Y469-I538 HydrophobicContact CD2-CD1 3.62Å; Y469-I538 HydrophobicContact CG-CD1 3.98Å |
| 470 | I | 72.8 | Confident | 70.8 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 172.2 | -68.8 | 163.8 | 0 | 0 | 0 | 111 | I466 H468 R474 I537 | I466-I470 HydrophobicContact CG2-CD1 3.77Å; I466-I470 HydrophobicContact CG2-CG1 4.46Å; I466-I470 WeakPolarHBondContact O-CB 3.47Å; I466-I470 WeakPolarHBondContact O-CD1 3.02Å; I466-I470 WeakPolarHBondContact O-CG1 3.31Å; I466-I470 PolarHBondContact O-N 3.09Å; H468-I470 VanDerWaalsContact C-N 3.35Å; H468-I470 PolarHBondContact O-N 2.97Å; I470-R474 WeakPolarHBondContact O-CB 3.43Å; I470-R474 VanDerWaalsContact O-CG 3.28Å; I470-R474 WeakPolarHBondContact O-CG 3.4Å; I470-R474 PolarHBondContact O-N 2.93Å; I470-I537 HydrophobicContact CD1-CB 4.28Å; I470-I537 HydrophobicContact CD1-CG2 3.47Å; I470-I537 VanDerWaalsContact CD1-CG2 3.47Å; I470-I537 HydrophobicContact CG1-CG2 4.01Å |
| 471 | R | 72.7 | Confident | 71.8 | Confident | 161 Ų | 161 | 56.3 Ų | 56.3 | 61% | 0.608 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 175.4 | -74.5 | 171.5 | 176.6 | 178.9 | -2.3 | 111.6 | R467 H468 Y469 R474 L475 | R467-R471 WeakPolarHBondContact O-CG 3.42Å; R467-R471 PolarHBondContact O-N 3.22Å; H468-R471 WeakPolarHBondContact O-CA 3.32Å; H468-R471 VanDerWaalsContact O-CB 3.31Å; H468-R471 WeakPolarHBondContact O-CB 3.43Å; H468-R471 PolarHBondContact O-N 3.38Å; Y469-R471 VanDerWaalsContact C-N 3.27Å; Y469-R471 PolarHBondContact O-N 2.97Å; R471-R474 PolarHBondContact O-N 3.17Å; R471-L475 PolarHBondContact O-N 3.24Å |
| 472 | L | 74 | Confident | 72.2 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 176 | -65.5 | 178.9 | 0 | 0 | 0 | 111.8 | L439 I443 H468 Y469 R474 L475 V476 | L439-L472 HydrophobicContact CD1-CD2 3.93Å; L439-L472 HydrophobicContact CD2-CD2 3.85Å; L439-L472 HydrophobicContact CG-CD2 3.81Å; I443-L472 HydrophobicContact CD1-CB 4.43Å; I443-L472 HydrophobicContact CG1-CD1 4.06Å; H468-L472 PolarHBondContact O-N 3.1Å; Y469-L472 HydrophobicContact CD1-CD1 4.36Å; Y469-L472 PolarHBondContact O-N 2.72Å; L472-R474 PolarHBondContact O-N 3.39Å; L472-L475 WeakPolarHBondContact O-CB 3.22Å; L472-L475 PolarHBondContact O-N 3.46Å; L472-L475 VanDerWaalsContact O-N 3.13Å; L472-V476 PolarHBondContact O-N 3.42Å |
| 473 | L | 78.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.9 | -75.8 | 177.9 | 0 | 0 | 0 | 112.5 | L440 I443 Y469 L475 V476 K477 L527 I538 E541 A542 I545 | L440-L473 HydrophobicContact CD2-CD2 4.24Å; I443-L473 HydrophobicContact CD1-CD2 4.03Å; I443-L473 HydrophobicContact CD1-CG 3.99Å; Y469-L473 PolarHBondContact O-N 3.11Å; L473-L475 VanDerWaalsContact C-N 3.27Å; L473-L475 PolarHBondContact O-N 2.86Å; L473-V476 WeakPolarHBondContact O-CB 3.39Å; L473-V476 PolarHBondContact O-N 3.12Å; L473-K477 PolarHBondContact O-N 2.99Å; L473-L527 HydrophobicContact CD2-CD1 4.17Å; L473-I538 HydrophobicContact CD1-CB 4.35Å; L473-I538 HydrophobicContact CD1-CG2 3.71Å; L473-E541 HydrophobicContact CD1-CB 3.98Å; L473-A542 HydrophobicContact CD1-CB 4.49Å; L473-I545 HydrophobicContact CB-CD1 3.99Å; L473-I545 HydrophobicContact CD2-CD1 4.38Å; L473-I545 VanDerWaalsContact O-CD1 3.31Å; L473-I545 WeakPolarHBondContact O-CD1 3.45Å |
| 474 | R | 76.1 | Confident | 72.5 | Confident | 138 Ų | 138 | 46 Ų | 46 | 52% | 0.521 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -34.1 | 174.5 | -74.8 | 177 | -171.3 | 171.4 | 4.7 | 112.5 | I470 R471 L472 K477 S478 E541 | I470-R474 WeakPolarHBondContact O-CB 3.43Å; I470-R474 VanDerWaalsContact O-CG 3.28Å; I470-R474 WeakPolarHBondContact O-CG 3.4Å; I470-R474 PolarHBondContact O-N 2.93Å; R471-R474 PolarHBondContact O-N 3.17Å; L472-R474 PolarHBondContact O-N 3.39Å; R474-K477 WeakPolarHBondContact O-CB 3.18Å; R474-K477 PolarHBondContact O-N 3.04Å; R474-S478 PolarHBondContact O-N 3.48Å; R474-E541 IonicContact NE-OE1 2.75Å; R474-E541 IonicContact NH2-OE1 3.98Å |
| 475 | L | 71 | Confident | 72.3 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 173.3 | -172.7 | 141.4 | 0 | 0 | 0 | 110.5 | I403 L407 L436 L439 R471 L472 L473 K477 S478 S479 | I403-L475 HydrophobicContact CG2-CD1 3.86Å; I403-L475 HydrophobicContact CG2-CD2 3.68Å; I403-L475 HydrophobicContact CG2-CG 4.26Å; L407-L475 HydrophobicContact CD1-CG 4.25Å; L436-L475 HydrophobicContact CD1-CD2 4.45Å; L439-L475 HydrophobicContact CD2-CD2 3.94Å; R471-L475 PolarHBondContact O-N 3.24Å; L472-L475 WeakPolarHBondContact O-CB 3.22Å; L472-L475 PolarHBondContact O-N 3.46Å; L472-L475 VanDerWaalsContact O-N 3.13Å; L473-L475 VanDerWaalsContact C-N 3.27Å; L473-L475 PolarHBondContact O-N 2.86Å; L475-K477 PolarHBondContact O-N 2.89Å; L475-S478 PolarHBondContact O-N 3.36Å; L475-S478 VanDerWaalsContact O-N 3.14Å; L475-S478 PolarHBondContact O-OG 2.83Å; L475-S479 PolarHBondContact O-N 3.35Å; L475-S479 PolarHBondContact O-OG 2.83Å; L475-S479 VanDerWaalsContact O-OG 3.11Å |
| 476 | V | 75.2 | Confident | 72.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 173.2 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | L436 L440 L472 L473 S478 S479 I480 L527 | L436-V476 HydrophobicContact CD1-CG2 4.08Å; L440-V476 HydrophobicContact CD1-CG2 3.98Å; L440-V476 HydrophobicContact CD2-CG2 3.88Å; L440-V476 HydrophobicContact CG-CG2 4.02Å; L472-V476 PolarHBondContact O-N 3.42Å; L473-V476 WeakPolarHBondContact O-CB 3.39Å; L473-V476 PolarHBondContact O-N 3.12Å; V476-S478 VanDerWaalsContact C-N 3.27Å; V476-S478 PolarHBondContact O-N 2.89Å; V476-S479 WeakPolarHBondContact O-CB 3.37Å; V476-S479 PolarHBondContact O-N 2.9Å; V476-S479 VanDerWaalsContact O-N 3.12Å; V476-I480 HydrophobicContact CG1-CD1 3.81Å; V476-I480 HydrophobicContact CG1-CG1 4.37Å; V476-I480 WeakPolarHBondContact O-CG1 3.31Å; V476-I480 PolarHBondContact O-N 3.35Å; V476-L527 HydrophobicContact CG1-CD1 4.15Å |
| 477 | K | 77.3 | Confident | 71.5 | Confident | 65 Ų | 65 | 41.5 Ų | 41.5 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.8 | -43.4 | 174.3 | -170.1 | 175.4 | -176.2 | 167.4 | 0 | 111.6 | L473 R474 L475 I480 N481 I545 | L473-K477 PolarHBondContact O-N 2.99Å; R474-K477 WeakPolarHBondContact O-CB 3.18Å; R474-K477 PolarHBondContact O-N 3.04Å; L475-K477 PolarHBondContact O-N 2.89Å; K477-I480 PolarHBondContact O-N 2.74Å; K477-N481 PolarHBondContact O-N 3.42Å; K477-N481 PolarHBondContact O-OD1 3.4Å; K477-I545 HydrophobicContact CB-CD1 4.02Å; K477-I545 HydrophobicContact CB-CG1 3.89Å; K477-I545 HydrophobicContact CD-CG1 4.07Å; K477-I545 HydrophobicContact CG-CG1 4.04Å |
| 478 | S | 69.7 | Low | 70.9 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 176.7 | 74 | 0 | 0 | 0 | 0 | 112.2 | R474 L475 V476 I480 N481 I482 | R474-S478 PolarHBondContact O-N 3.48Å; L475-S478 PolarHBondContact O-N 3.36Å; L475-S478 VanDerWaalsContact O-N 3.14Å; L475-S478 PolarHBondContact O-OG 2.83Å; V476-S478 VanDerWaalsContact C-N 3.27Å; V476-S478 PolarHBondContact O-N 2.89Å; S478-I480 PolarHBondContact O-N 3.39Å; S478-N481 PolarHBondContact O-N 3.43Å; S478-I482 WeakPolarHBondContact O-CB 3.49Å; S478-I482 WeakPolarHBondContact O-CD1 3.35Å; S478-I482 WeakPolarHBondContact O-CG1 3.29Å; S478-I482 PolarHBondContact O-N 3.24Å |
| 479 | S | 72.4 | Confident | 69.9 | Low | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.7 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | L475 V476 I482 H483 | L475-S479 PolarHBondContact O-N 3.35Å; L475-S479 PolarHBondContact O-OG 2.83Å; L475-S479 VanDerWaalsContact O-OG 3.11Å; V476-S479 WeakPolarHBondContact O-CB 3.37Å; V476-S479 PolarHBondContact O-N 2.9Å; V476-S479 VanDerWaalsContact O-N 3.12Å; S479-I482 PolarHBondContact O-N 3.42Å; S479-H483 PolarHBondContact O-N 3.04Å |
| 480 | I | 72.2 | Confident | 68.5 | Low | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 175.9 | -68.3 | 167.8 | 0 | 0 | 0 | 110.7 | V476 K477 S478 I482 H483 I484 I545 F548 W549 | V476-I480 HydrophobicContact CG1-CD1 3.81Å; V476-I480 HydrophobicContact CG1-CG1 4.37Å; V476-I480 WeakPolarHBondContact O-CG1 3.31Å; V476-I480 PolarHBondContact O-N 3.35Å; K477-I480 PolarHBondContact O-N 2.74Å; S478-I480 PolarHBondContact O-N 3.39Å; I480-I482 VanDerWaalsContact C-N 3.3Å; I480-I482 PolarHBondContact O-N 2.88Å; I480-H483 WeakPolarHBondContact O-CB 3.33Å; I480-H483 PolarHBondContact O-N 2.88Å; I480-I484 HydrophobicContact CG2-CD1 3.63Å; I480-I484 HydrophobicContact CG2-CG1 4.35Å; I480-I484 WeakPolarHBondContact O-CG1 3.37Å; I480-I484 PolarHBondContact O-N 3.12Å; I480-I545 HydrophobicContact CD1-CG2 3.54Å; I480-F548 HydrophobicContact CG2-CD1 4.45Å; I480-F548 HydrophobicContact CG2-CE1 4.42Å; I480-W549 HydrophobicContact CD1-CD2 4.41Å; I480-W549 HydrophobicContact CD1-CE3 4.32Å; I480-W549 HydrophobicContact CD1-CG 4.5Å; I480-W549 HydrophobicContact CG2-CB 3.99Å; I480-W549 HydrophobicContact CG2-CG 3.87Å |
| 481 | N | 71.2 | Confident | 67.3 | Low | 52 Ų | 52 | 55.5 Ų | 55.5 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.8 | -47.2 | 173.9 | -77.4 | 3.1 | 0 | 0 | 0 | 111.1 | K477 S478 H483 I484 D485 F548 | K477-N481 PolarHBondContact O-N 3.42Å; K477-N481 PolarHBondContact O-OD1 3.4Å; S478-N481 PolarHBondContact O-N 3.43Å; N481-H483 VanDerWaalsContact C-N 3.33Å; N481-H483 PolarHBondContact O-N 3.45Å; N481-I484 PolarHBondContact O-N 2.88Å; N481-D485 WeakPolarHBondContact O-CB 3.45Å; N481-D485 PolarHBondContact O-N 2.94Å; N481-F548 WeakPolarHBondContact OD1-CE1 3.47Å; N481-F548 WeakPolarHBondContact OD1-CZ 3.48Å |
| 482 | I | 68.1 | Low | 65.6 | Low | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 178.9 | -68.3 | 160.8 | 0 | 0 | 0 | 110.6 | L407 I410 V413 S478 S479 I480 S486 | L407-I482 HydrophobicContact CD2-CD1 3.91Å; I410-I482 HydrophobicContact CB-CG2 4.42Å; I410-I482 HydrophobicContact CD1-CG2 3.71Å; I410-I482 HydrophobicContact CG2-CG2 3.91Å; V413-I482 HydrophobicContact CG1-CD1 4.1Å; V413-I482 HydrophobicContact CG1-CG1 4.34Å; V413-I482 HydrophobicContact CG2-CG1 4.28Å; V413-I482 HydrophobicContact CG2-CG2 4.37Å; S478-I482 WeakPolarHBondContact O-CB 3.49Å; S478-I482 WeakPolarHBondContact O-CD1 3.35Å; S478-I482 WeakPolarHBondContact O-CG1 3.29Å; S478-I482 PolarHBondContact O-N 3.24Å; S479-I482 PolarHBondContact O-N 3.42Å; I480-I482 VanDerWaalsContact C-N 3.3Å; I480-I482 PolarHBondContact O-N 2.88Å; I482-S486 VanDerWaalsContact O-CB 3.26Å; I482-S486 WeakPolarHBondContact O-CB 3.49Å; I482-S486 PolarHBondContact O-N 2.82Å; I482-S486 PolarHBondContact O-OG 3.24Å |
| 483 | H | 71.5 | Confident | 63.7 | Low | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 173.6 | 179.1 | -57.4 | 0 | 0 | 0 | 111.5 | S479 I480 N481 S486 G487 L516 I520 D553 | S479-H483 PolarHBondContact O-N 3.04Å; I480-H483 WeakPolarHBondContact O-CB 3.33Å; I480-H483 PolarHBondContact O-N 2.88Å; N481-H483 VanDerWaalsContact C-N 3.33Å; N481-H483 PolarHBondContact O-N 3.45Å; H483-S486 PolarHBondContact O-OG 3.49Å; H483-G487 PolarHBondContact O-N 2.88Å; H483-L516 HydrophobicContact CB-CD2 3.83Å; H483-I520 HydrophobicContact CB-CD1 3.73Å; H483-D553 IonicContact CE1-OD2 3.19Å |
| 484 | I | 67.2 | Low | 61.5 | Low | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -45.9 | -178.7 | -68.5 | 163.5 | 0 | 0 | 0 | 110.8 | I480 N481 G487 K488 F548 N552 | I480-I484 HydrophobicContact CG2-CD1 3.63Å; I480-I484 HydrophobicContact CG2-CG1 4.35Å; I480-I484 WeakPolarHBondContact O-CG1 3.37Å; I480-I484 PolarHBondContact O-N 3.12Å; N481-I484 PolarHBondContact O-N 2.88Å; I484-G487 PolarHBondContact O-N 3.41Å; I484-K488 WeakPolarHBondContact O-CG 3.35Å; I484-K488 PolarHBondContact O-N 3.1Å; I484-F548 HydrophobicContact CD1-CD1 4.31Å; I484-F548 HydrophobicContact CD1-CE1 3.63Å; I484-F548 HydrophobicContact CD1-CZ 4.34Å; I484-N552 HydrophobicContact CD1-CB 3.95Å; I484-N552 HydrophobicContact CG2-CB 4.2Å |
| 485 | D | 64.4 | Low | 59.2 | Low | 80 Ų | 80 | 62.1 Ų | 62.1 | 43% | 0.428 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | -179.4 | -72.7 | -22.5 | 0 | 0 | 0 | 111 | N481 G487 K488 Y489 | N481-D485 WeakPolarHBondContact O-CB 3.45Å; N481-D485 PolarHBondContact O-N 2.94Å; D485-G487 VanDerWaalsContact C-N 3.29Å; D485-G487 PolarHBondContact O-N 3.38Å; D485-K488 PolarHBondContact O-N 3.02Å; D485-K488 VanDerWaalsContact O-N 3.16Å; D485-Y489 WeakPolarHBondContact O-CD2 3.28Å; D485-Y489 PolarHBondContact O-N 3.4Å |
| 486 | S | 64.2 | Low | 57.3 | Low | 29 Ų | 29 | 65.6 Ų | 65.6 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.8 | -32 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | I482 H483 Y489 A490 Y513 | I482-S486 VanDerWaalsContact O-CB 3.26Å; I482-S486 WeakPolarHBondContact O-CB 3.49Å; I482-S486 PolarHBondContact O-N 2.82Å; I482-S486 PolarHBondContact O-OG 3.24Å; H483-S486 PolarHBondContact O-OG 3.49Å; S486-Y489 PolarHBondContact O-N 3.47Å; S486-A490 WeakPolarHBondContact O-CB 3.24Å; S486-A490 PolarHBondContact O-N 3.36Å; S486-Y513 WeakPolarHBondContact OG-CE2 3.37Å |
| 487 | G | 59.4 | Low | 55.1 | Low | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H483 I484 D485 A490 Q491 | H483-G487 PolarHBondContact O-N 2.88Å; I484-G487 PolarHBondContact O-N 3.41Å; D485-G487 VanDerWaalsContact C-N 3.29Å; D485-G487 PolarHBondContact O-N 3.38Å; G487-A490 PolarHBondContact O-N 3.49Å; G487-Q491 PolarHBondContact O-N 3.32Å |
| 488 | K | 58.6 | Low | 52.8 | Low | 120 Ų | 120 | 72.2 Ų | 72.2 | 52% | 0.522 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 174.4 | -72 | 175.2 | -177.6 | 172.7 | 0 | 112 | I484 D485 Q491 G492 | I484-K488 WeakPolarHBondContact O-CG 3.35Å; I484-K488 PolarHBondContact O-N 3.1Å; D485-K488 PolarHBondContact O-N 3.02Å; D485-K488 VanDerWaalsContact O-N 3.16Å; K488-Q491 PolarHBondContact O-N 3.4Å; K488-G492 PolarHBondContact O-N 3.42Å |
| 489 | Y | 51.7 | Low | 51 | Low | 186 Ų | 186 | 77.5 Ų | 77.5 | 73% | 0.729 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70 | -33.1 | 177.4 | -75.5 | -69.3 | 0 | 0 | 0 | 113.4 | D485 S486 Q491 G492 | D485-Y489 WeakPolarHBondContact O-CD2 3.28Å; D485-Y489 PolarHBondContact O-N 3.4Å; S486-Y489 PolarHBondContact O-N 3.47Å; Y489-Q491 PolarHBondContact O-N 3.19Å; Y489-G492 PolarHBondContact O-N 2.98Å |
| 490 | A | 50.3 | Low | 49.3 | Very low | 83 Ų | 83 | 83.5 Ų | 83.5 | 69% | 0.686 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -25.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S486 G487 | S486-A490 WeakPolarHBondContact O-CB 3.24Å; S486-A490 PolarHBondContact O-N 3.36Å; G487-A490 PolarHBondContact O-N 3.49Å |
| 491 | Q | 47.5 | Very low | 47.3 | Very low | 144 Ų | 144 | 93.3 Ų | 93.3 | 67% | 0.673 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -90.2 | -18 | 177.3 | -68.3 | 179.8 | -2.3 | 0 | 0 | 113.7 | G487 K488 Y489 | G487-Q491 PolarHBondContact O-N 3.32Å; K488-Q491 PolarHBondContact O-N 3.4Å; Y489-Q491 PolarHBondContact O-N 3.19Å |
| 492 | G | 37.6 | Very low | 45.6 | Very low | 58 Ų | 58 | 96.1 Ų | 96.1 | 60% | 0.598 | 58% | 0.584 | S | S | * | * | trans | -92.9 | 96.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | K488 Y489 | K488-G492 PolarHBondContact O-N 3.42Å; Y489-G492 PolarHBondContact O-N 2.98Å | ||
| 493 | V | 33 | Very low | 43.8 | Very low | 127 Ų | 127 | 105.3 Ų | 105.3 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | trans | -93.3 | 134.8 | 164.1 | 175.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 494 | V | 32.2 | Very low | 41.9 | Very low | 126 Ų | 126 | 110.2 Ų | 110.2 | 76% | 0.764 | 66% | 0.657 | S | S | * | * | trans | 166.4 | 103.4 | 134.8 | 163.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 495 | V | 28.9 | Very low | 40.6 | Very low | 133 Ų | 133 | 113.3 Ų | 113.3 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | trans | 51.1 | 112.1 | 130.6 | -173.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 496 | A | 30.7 | Very low | 39.6 | Very low | 85 Ų | 85 | 120.3 Ų | 120.3 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | 146.8 | 126.4 | 107.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 497 | S | 28.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | 79.1 | 116.7 | 150.1 | 80.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 498 | G | 29.6 | Very low | 38.3 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 141.1 | 103.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 499 | T | 31.6 | Very low | 37.8 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -50.7 | 141.1 | -166.5 | 43.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 500 | P | 37.5 | Very low | 38.1 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -95.7 | 144.3 | -174 | 37 | -32.5 | 0 | 0 | 0 | 114.2 | ||||
| 501 | K | 30.4 | Very low | 38.7 | Very low | 208 Ų | 208 | 121.4 Ų | 121.4 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | trans | -109.3 | 158.5 | 162.4 | -89.7 | -173.9 | -179.7 | 178.5 | 0 | 110.2 | ||||
| 502 | P | 35.4 | Very low | 39.4 | Very low | 111 Ų | 111 | 115.3 Ų | 115.3 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -99.1 | 148.8 | -130.2 | 35.7 | -35.3 | 0 | 0 | 0 | 117 | ||||
| 503 | K | 30 | Very low | 40.7 | Very low | 211 Ų | 211 | 116 Ų | 116 | 92% | 0.917 | 67% | 0.669 | S | S | * | * | trans | 46.5 | 87.1 | 143.8 | -62.9 | -179.5 | 179.6 | 176.6 | 0 | 118.3 | ||||
| 504 | C | 31.6 | Very low | 42.4 | Very low | 112 Ų | 112 | 111 Ų | 111 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | trans | -104.8 | 136 | 145.2 | -157.6 | 0 | 0 | 0 | 0 | 109 | R506 | C504-R506 PolarHBondContact O-N 2.63Š| ||
| 505 | S | 39.9 | Very low | 44.1 | Very low | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | trans | -69 | 125.5 | -166 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | K507 S508 | S505-K507 PolarHBondContact O-N 2.87Å; S505-S508 PolarHBondContact O-N 3Å; S505-S508 PolarHBondContact O-OG 2.88Å | ||
| 506 | R | 43.8 | Very low | 46.1 | Very low | 228 Ų | 228 | 100.3 Ų | 100.3 | 86% | 0.86 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.4 | -24.5 | 176.6 | -114.1 | 179.7 | -170.7 | 173.3 | 1.9 | 114.2 | C504 S510 | C504-R506 PolarHBondContact O-N 2.63Å; R506-S510 PolarHBondContact O-N 3.26Å |
| 507 | K | 46 | Very low | 48 | Very low | 182 Ų | 182 | 99.1 Ų | 99.1 | 79% | 0.791 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.6 | -38.6 | -177.6 | -73.5 | -173.5 | 177 | -177.2 | 0 | 113.4 | S505 M509 S510 S511 | S505-K507 PolarHBondContact O-N 2.87Å; K507-M509 VanDerWaalsContact C-N 3.35Å; K507-S510 PolarHBondContact O-OG 3.32Å; K507-S511 PolarHBondContact O-N 3.4Å; K507-S511 PolarHBondContact O-OG 2.64Å |
| 508 | S | 48.9 | Very low | 50.1 | Low | 54 Ų | 54 | 98.4 Ų | 98.4 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.1 | -30.9 | 176.3 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | S505 S511 S512 | S505-S508 PolarHBondContact O-N 3Å; S505-S508 PolarHBondContact O-OG 2.88Å; S508-S511 WeakPolarHBondContact CA-OG 3.28Å; S508-S511 PolarHBondContact O-N 2.83Å; S508-S511 PolarHBondContact O-OG 3.09Å; S508-S512 WeakPolarHBondContact O-CB 3.2Å; S508-S512 PolarHBondContact O-N 3.3Å; S508-S512 PolarHBondContact O-OG 3.23Å |
| 509 | M | 49.5 | Very low | 52.2 | Low | 81 Ų | 81 | 94.8 Ų | 94.8 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -44 | 176.5 | -77 | -152.7 | 66.2 | 0 | 0 | 113.4 | P411 K507 S511 Y513 | P411-M509 HydrophobicContact CG-CE 3.27Å; P411-M509 HydrophobicContact CG-SD 3.63Å; K507-M509 VanDerWaalsContact C-N 3.35Å; M509-S511 VanDerWaalsContact C-N 3.32Å; M509-S511 PolarHBondContact O-N 3.5Å; M509-Y513 WeakPolarHBondContact O-CB 3.42Å; M509-Y513 PolarHBondContact O-N 2.91Å |
| 510 | S | 58.6 | Low | 54.2 | Low | 82 Ų | 82 | 88 Ų | 88 | 57% | 0.573 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.8 | -33.4 | 177.5 | 60 | 0 | 0 | 0 | 0 | 112.4 | R506 K507 G514 | R506-S510 PolarHBondContact O-N 3.26Å; K507-S510 PolarHBondContact O-OG 3.32Å; S510-G514 PolarHBondContact O-N 2.87Å |
| 511 | S | 62.3 | Low | 56.1 | Low | 60 Ų | 60 | 82.9 Ų | 82.9 | 42% | 0.42 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.8 | -44.4 | 175.8 | 57.5 | 0 | 0 | 0 | 0 | 112 | K507 S508 M509 Y513 G514 L515 | K507-S511 PolarHBondContact O-N 3.4Å; K507-S511 PolarHBondContact O-OG 2.64Å; S508-S511 WeakPolarHBondContact CA-OG 3.28Å; S508-S511 PolarHBondContact O-N 2.83Å; S508-S511 PolarHBondContact O-OG 3.09Å; M509-S511 VanDerWaalsContact C-N 3.32Å; M509-S511 PolarHBondContact O-N 3.5Å; S511-Y513 PolarHBondContact O-N 3.35Å; S511-G514 PolarHBondContact O-N 3.02Å; S511-L515 WeakPolarHBondContact O-CB 3.41Å; S511-L515 VanDerWaalsContact O-CG 3.27Å; S511-L515 WeakPolarHBondContact O-CG 3.4Å; S511-L515 PolarHBondContact O-N 3.23Å |
| 512 | S | 62.2 | Low | 58.3 | Low | 16 Ų | 16 | 76.4 Ų | 76.4 | 11% | 0.112 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.9 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | S508 L515 L516 | S508-S512 WeakPolarHBondContact O-CB 3.2Å; S508-S512 PolarHBondContact O-N 3.3Å; S508-S512 PolarHBondContact O-OG 3.23Å; S512-L515 PolarHBondContact O-N 2.89Å; S512-L516 WeakPolarHBondContact O-CB 3.32Å; S512-L516 PolarHBondContact O-N 2.87Å |
| 513 | Y | 64.9 | Low | 60.4 | Low | 72 Ų | 72 | 71.2 Ų | 71.2 | 28% | 0.282 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 174.3 | -176.3 | -100.3 | 0 | 0 | 0 | 112.1 | S486 M509 S511 L515 L516 Q517 | S486-Y513 WeakPolarHBondContact OG-CE2 3.37Å; M509-Y513 WeakPolarHBondContact O-CB 3.42Å; M509-Y513 PolarHBondContact O-N 2.91Å; S511-Y513 PolarHBondContact O-N 3.35Å; Y513-L515 PolarHBondContact O-N 3.2Å; Y513-L516 WeakPolarHBondContact O-CB 3.37Å; Y513-L516 PolarHBondContact O-N 2.84Å; Y513-Q517 WeakPolarHBondContact O-CB 3.23Å; Y513-Q517 PolarHBondContact O-N 3.04Å |
| 514 | G | 68.1 | Low | 63 | Low | 23 Ų | 23 | 61.2 Ų | 61.2 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S510 S511 Q517 K518 | S510-G514 PolarHBondContact O-N 2.87Å; S511-G514 PolarHBondContact O-N 3.02Å; G514-Q517 PolarHBondContact O-N 3.28Å; G514-K518 WeakPolarHBondContact O-CB 3.5Å; G514-K518 WeakPolarHBondContact O-CG 3.49Å; G514-K518 PolarHBondContact O-N 3.46Å |
| 515 | L | 68.3 | Low | 65.5 | Low | 33 Ų | 33 | 55.9 Ų | 55.9 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 173.4 | -76.5 | 170.2 | 0 | 0 | 0 | 111.5 | E433 S511 S512 Y513 G519 | E433-L515 HydrophobicContact CG-CD2 3.84Å; S511-L515 WeakPolarHBondContact O-CB 3.41Å; S511-L515 VanDerWaalsContact O-CG 3.27Å; S511-L515 WeakPolarHBondContact O-CG 3.4Å; S511-L515 PolarHBondContact O-N 3.23Å; S512-L515 PolarHBondContact O-N 2.89Å; Y513-L515 PolarHBondContact O-N 3.2Å; L515-G519 PolarHBondContact O-N 3.28Å |
| 516 | L | 71.7 | Confident | 67.4 | Low | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 173.2 | -175.8 | 88.2 | 0 | 0 | 0 | 110.7 | F406 W435 H483 S512 Y513 K518 G519 I520 | F406-L516 HydrophobicContact CE1-CB 4.3Å; F406-L516 HydrophobicContact CE1-CD1 3.76Å; F406-L516 HydrophobicContact CZ-CB 4.21Å; F406-L516 HydrophobicContact CZ-CD1 4.48Å; W435-L516 HydrophobicContact CZ2-CD1 4.48Å; H483-L516 HydrophobicContact CB-CD2 3.83Å; S512-L516 WeakPolarHBondContact O-CB 3.32Å; S512-L516 PolarHBondContact O-N 2.87Å; Y513-L516 WeakPolarHBondContact O-CB 3.37Å; Y513-L516 PolarHBondContact O-N 2.84Å; L516-K518 PolarHBondContact O-N 3.46Å; L516-G519 PolarHBondContact O-N 2.96Å; L516-I520 HydrophobicContact CD1-CD1 4.36Å; L516-I520 HydrophobicContact CD2-CD1 4.25Å; L516-I520 HydrophobicContact CG-CD1 3.84Å; L516-I520 WeakPolarHBondContact O-CB 3.29Å; L516-I520 VanDerWaalsContact O-CG1 3.25Å; L516-I520 WeakPolarHBondContact O-CG1 3.42Å; L516-I520 PolarHBondContact O-N 3.37Å |
| 517 | Q | 70.8 | Confident | 69.2 | Low | 59 Ų | 59 | 41.5 Ų | 41.5 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -42.6 | -178.5 | -176.1 | 177 | 3.9 | 0 | 0 | 112.7 | Y513 G514 D521 | Y513-Q517 WeakPolarHBondContact O-CB 3.23Å; Y513-Q517 PolarHBondContact O-N 3.04Å; G514-Q517 PolarHBondContact O-N 3.28Å; Q517-D521 PolarHBondContact O-N 3.37Å |
| 518 | K | 70.5 | Confident | 71 | Confident | 113 Ų | 113 | 32.9 Ų | 32.9 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.9 | -40.9 | 175.1 | -73.5 | -177.8 | 174.5 | -178 | 0 | 112.3 | E433 G514 L516 I520 D521 K522 | E433-K518 HydrophobicContact CG-CD 4.29Å; E433-K518 WeakPolarHBondContact OE1-CD 3.28Å; E433-K518 IonicContact OE1-NZ 3.42Å; E433-K518 PolarHBondContact OE1-NZ 3.12Å; G514-K518 WeakPolarHBondContact O-CB 3.5Å; G514-K518 WeakPolarHBondContact O-CG 3.49Å; G514-K518 PolarHBondContact O-N 3.46Å; L516-K518 PolarHBondContact O-N 3.46Å; K518-I520 VanDerWaalsContact C-N 3.31Å; K518-I520 PolarHBondContact O-N 3.39Å; K518-D521 PolarHBondContact O-N 3.02Å; K518-K522 PolarHBondContact O-N 2.97Å |
| 519 | G | 73.4 | Confident | 72.5 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E433 L515 L516 K522 V523 | E433-G519 WeakPolarHBondContact O-CA 3.32Å; L515-G519 PolarHBondContact O-N 3.28Å; L516-G519 PolarHBondContact O-N 2.96Å; G519-K522 PolarHBondContact O-N 3.48Å; G519-V523 WeakPolarHBondContact O-CB 3.23Å; G519-V523 VanDerWaalsContact O-CG2 3.25Å; G519-V523 WeakPolarHBondContact O-CG2 3.47Å; G519-V523 PolarHBondContact O-N 3.06Å |
| 520 | I | 75.2 | Confident | 74.2 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -42 | 176 | -71.9 | 167.8 | 0 | 0 | 0 | 111.8 | L436 H483 L516 K518 V523 L524 W549 | L436-I520 HydrophobicContact CD2-CG1 4.17Å; H483-I520 HydrophobicContact CB-CD1 3.73Å; L516-I520 HydrophobicContact CD1-CD1 4.36Å; L516-I520 HydrophobicContact CD2-CD1 4.25Å; L516-I520 HydrophobicContact CG-CD1 3.84Å; L516-I520 WeakPolarHBondContact O-CB 3.29Å; L516-I520 VanDerWaalsContact O-CG1 3.25Å; L516-I520 WeakPolarHBondContact O-CG1 3.42Å; L516-I520 PolarHBondContact O-N 3.37Å; K518-I520 VanDerWaalsContact C-N 3.31Å; K518-I520 PolarHBondContact O-N 3.39Å; I520-V523 PolarHBondContact O-N 3.44Å; I520-L524 PolarHBondContact O-N 3.19Å; I520-W549 HydrophobicContact CG2-CH2 3.44Å; I520-W549 VanDerWaalsContact CG2-CH2 3.44Å; I520-W549 HydrophobicContact CG2-CZ2 3.31Å; I520-W549 HydrophobicContact CG2-CZ3 4.18Å |
| 521 | D | 77.4 | Confident | 75.4 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 177.6 | -169.6 | 55.3 | 0 | 0 | 0 | 112.7 | Q517 K518 V523 K561 P562 N563 | Q517-D521 PolarHBondContact O-N 3.37Å; K518-D521 PolarHBondContact O-N 3.02Å; D521-V523 VanDerWaalsContact C-N 3.29Å; D521-V523 PolarHBondContact O-N 3.41Å; D521-K561 HydrophobicContact CB-CD 4.28Å; D521-P562 WeakPolarHBondContact OD2-CD 3.42Å; D521-N563 PolarHBondContact O-ND2 3.25Å |
| 522 | K | 75.4 | Confident | 76.2 | Confident | 72 Ų | 72 | 20.6 Ų | 20.6 | 31% | 0.313 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -69.6 | -25 | 173.9 | -75.4 | -155.7 | -179.7 | -174.6 | 0 | 113.6 | K518 G519 P525 F634 | K518-K522 PolarHBondContact O-N 2.97Å; G519-K522 PolarHBondContact O-N 3.48Å; K522-P525 WeakPolarHBondContact O-CD 3.17Å; K522-F634 WeakPolarHBondContact O-CE2 3.31Å; K522-F634 WeakPolarHBondContact O-CZ 3.41Å |
| 523 | V | 80.1 | Confident | 77.2 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -82 | -24 | -179.7 | 155.4 | 0 | 0 | 0 | 0 | 113.3 | L436 S437 L440 G519 I520 D521 P525 L526 L527 | L436-V523 VanDerWaalsContact C-CG2 3.48Å; L436-V523 HydrophobicContact CB-CG2 3.73Å; L436-V523 HydrophobicContact CD2-CB 4.17Å; L436-V523 HydrophobicContact CD2-CG1 4.24Å; L436-V523 HydrophobicContact CD2-CG2 3.8Å; L436-V523 HydrophobicContact CG-CG2 3.68Å; S437-V523 VanDerWaalsContact N-CG2 3.33Å; L440-V523 HydrophobicContact CD1-CB 4.27Å; L440-V523 HydrophobicContact CD1-CG1 3.25Å; L440-V523 HydrophobicContact CD1-CG2 4.12Å; G519-V523 WeakPolarHBondContact O-CB 3.23Å; G519-V523 VanDerWaalsContact O-CG2 3.25Å; G519-V523 WeakPolarHBondContact O-CG2 3.47Å; G519-V523 PolarHBondContact O-N 3.06Å; I520-V523 PolarHBondContact O-N 3.44Å; D521-V523 VanDerWaalsContact C-N 3.29Å; D521-V523 PolarHBondContact O-N 3.41Å; V523-P525 VanDerWaalsContact C-N 3.35Å; V523-L526 WeakPolarHBondContact O-CB 3.43Å; V523-L526 PolarHBondContact O-N 3.11Å; V523-L527 HydrophobicContact CG1-CB 4.44Å; V523-L527 PolarHBondContact O-N 3.41Å |
| 524 | L | 84.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -48 | -47.2 | -178.9 | 177.4 | 67.9 | 0 | 0 | 0 | 113.5 | I520 L526 L527 V528 L546 W549 N563 F564 F567 L615 | I520-L524 PolarHBondContact O-N 3.19Å; L524-L526 PolarHBondContact O-N 3.29Å; L524-L527 PolarHBondContact O-N 3.47Å; L524-V528 HydrophobicContact CD1-CG2 4.07Å; L524-V528 WeakPolarHBondContact O-CB 3.48Å; L524-V528 VanDerWaalsContact O-CG2 3.27Å; L524-V528 WeakPolarHBondContact O-CG2 3.29Å; L524-V528 PolarHBondContact O-N 2.82Å; L524-L546 HydrophobicContact CD1-CD2 3.85Å; L524-W549 HydrophobicContact CB-CH2 4.03Å; L524-W549 HydrophobicContact CB-CZ3 3.92Å; L524-W549 HydrophobicContact CD1-CE3 4.12Å; L524-W549 HydrophobicContact CD1-CH2 4.09Å; L524-W549 HydrophobicContact CD1-CZ3 3.41Å; L524-W549 VanDerWaalsContact CD1-CZ3 3.41Å; L524-W549 HydrophobicContact CG-CH2 4.44Å; L524-W549 HydrophobicContact CG-CZ3 4.15Å; L524-N563 HydrophobicContact CD2-CB 4.29Å; L524-F564 HydrophobicContact CD2-CB 4.35Å; L524-F564 HydrophobicContact CD2-CD2 3.86Å; L524-F564 HydrophobicContact CD2-CG 4.41Å; L524-F567 HydrophobicContact CD2-CB 4.48Å; L524-L615 HydrophobicContact CD2-CD2 4.1Å; L524-L615 HydrophobicContact CG-CD2 3.85Å |
| 525 | P | 84.2 | Confident | 78 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -38.5 | 176 | -24.2 | 35.2 | 0 | 0 | 0 | 114.3 | K522 V523 A529 L615 L616 F634 | K522-P525 WeakPolarHBondContact O-CD 3.17Å; V523-P525 VanDerWaalsContact C-N 3.35Å; P525-A529 WeakPolarHBondContact O-CB 3.48Å; P525-A529 PolarHBondContact O-N 3.37Å; P525-L615 HydrophobicContact CB-CD2 4.45Å; P525-L615 HydrophobicContact CB-CG 4.46Å; P525-L615 HydrophobicContact CG-CD1 4.26Å; P525-L615 HydrophobicContact CG-CD2 4.28Å; P525-L615 HydrophobicContact CG-CG 4.21Å; P525-L616 HydrophobicContact CB-CD2 4.38Å; P525-F634 HydrophobicContact CB-CZ 4.04Å; P525-F634 HydrophobicContact CG-CZ 4.09Å |
| 526 | L | 78.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.3 | -39.5 | 177.1 | -78.7 | 167 | 0 | 0 | 0 | 112.4 | S437 L440 L441 F444 V523 L524 V528 A529 C530 F634 L637 | S437-L526 WeakPolarHBondContact O-CD1 3.33Å; L440-L526 HydrophobicContact CB-CB 4.49Å; L440-L526 HydrophobicContact CB-CD1 4.14Å; L440-L526 HydrophobicContact CD1-CB 4.47Å; L441-L526 HydrophobicContact CD2-CD1 4.41Å; L441-L526 HydrophobicContact CD2-CD2 3.79Å; L441-L526 HydrophobicContact CG-CD1 4.16Å; L441-L526 HydrophobicContact CG-CD2 4.37Å; F444-L526 HydrophobicContact CD2-CD2 4.38Å; F444-L526 HydrophobicContact CE2-CD2 4.21Å; V523-L526 WeakPolarHBondContact O-CB 3.43Å; V523-L526 PolarHBondContact O-N 3.11Å; L524-L526 PolarHBondContact O-N 3.29Å; L526-V528 VanDerWaalsContact C-N 3.29Å; L526-V528 PolarHBondContact O-N 2.91Å; L526-A529 WeakPolarHBondContact O-CB 3.37Å; L526-A529 PolarHBondContact O-N 3.33Å; L526-A529 VanDerWaalsContact O-N 3.16Å; L526-C530 PolarHBondContact O-N 3.13Å; L526-C530 PolarHBondContact O-SG 3.41Å; L526-F634 HydrophobicContact CD1-CD2 3.58Å; L526-F634 HydrophobicContact CD1-CE2 3.6Å; L526-F634 HydrophobicContact CD2-CD2 4.24Å; L526-F634 HydrophobicContact CD2-CE2 4.44Å; L526-F634 HydrophobicContact CG-CD2 3.75Å; L526-F634 HydrophobicContact CG-CE2 3.55Å; L526-L637 HydrophobicContact CD2-CD2 3.63Å |
| 527 | L | 81.6 | Confident | 79 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.4 | -165.8 | 81.4 | 0 | 0 | 0 | 110.3 | L473 V476 V523 L524 C530 I545 L546 W549 | L473-L527 HydrophobicContact CD2-CD1 4.17Å; V476-L527 HydrophobicContact CG1-CD1 4.15Å; V523-L527 HydrophobicContact CG1-CB 4.44Å; V523-L527 PolarHBondContact O-N 3.41Å; L524-L527 PolarHBondContact O-N 3.47Å; L527-C530 WeakPolarHBondContact O-CB 3.28Å; L527-C530 PolarHBondContact O-N 2.85Å; L527-I545 HydrophobicContact CD1-CG2 4.24Å; L527-I545 HydrophobicContact CD2-CG2 3.94Å; L527-L546 HydrophobicContact CD2-CD2 3.54Å; L527-L546 HydrophobicContact CD2-CG 3.62Å; L527-L546 HydrophobicContact CG-CD2 4.28Å; L527-L546 HydrophobicContact CG-CG 4.14Å; L527-W549 HydrophobicContact CD2-CE3 4.41Å |
| 528 | V | 84 | Confident | 79.5 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 173.2 | 176.8 | 0 | 0 | 0 | 0 | 111 | L524 L526 C530 L531 L546 F567 V612 L615 | L524-V528 HydrophobicContact CD1-CG2 4.07Å; L524-V528 WeakPolarHBondContact O-CB 3.48Å; L524-V528 VanDerWaalsContact O-CG2 3.27Å; L524-V528 WeakPolarHBondContact O-CG2 3.29Å; L524-V528 PolarHBondContact O-N 2.82Å; L526-V528 VanDerWaalsContact C-N 3.29Å; L526-V528 PolarHBondContact O-N 2.91Å; V528-C530 PolarHBondContact O-N 2.98Å; V528-L531 VanDerWaalsContact O-CB 3.31Å; V528-L531 WeakPolarHBondContact O-CB 3.15Å; V528-L531 WeakPolarHBondContact O-CG 3.28Å; V528-L531 PolarHBondContact O-N 3.09Å; V528-L531 VanDerWaalsContact O-N 3.13Å; V528-L546 HydrophobicContact CG2-CD1 4.07Å; V528-L546 HydrophobicContact CG2-CD2 3.93Å; V528-F567 HydrophobicContact CG1-CE2 4.38Å; V528-F567 HydrophobicContact CG2-CD2 4.48Å; V528-F567 HydrophobicContact CG2-CE2 4.04Å; V528-V612 HydrophobicContact CG1-CB 3.74Å; V528-V612 HydrophobicContact CG1-CG1 3.44Å; V528-V612 VanDerWaalsContact CG1-CG1 3.44Å; V528-V612 HydrophobicContact CG1-CG2 3.27Å; V528-L615 HydrophobicContact CB-CD2 4.48Å; V528-L615 HydrophobicContact CG2-CD2 4.09Å |
| 529 | A | 81.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60 | -30.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F444 P525 L526 L531 S532 V641 | F444-A529 HydrophobicContact CE2-CB 4.48Å; F444-A529 HydrophobicContact CZ-CB 3.99Å; P525-A529 WeakPolarHBondContact O-CB 3.48Å; P525-A529 PolarHBondContact O-N 3.37Å; L526-A529 WeakPolarHBondContact O-CB 3.37Å; L526-A529 PolarHBondContact O-N 3.33Å; L526-A529 VanDerWaalsContact O-N 3.16Å; A529-L531 PolarHBondContact O-N 3.45Å; A529-S532 WeakPolarHBondContact O-CB 3.38Å; A529-S532 PolarHBondContact O-N 2.89Å; A529-S532 PolarHBondContact O-OG 2.99Å; A529-V641 HydrophobicContact CB-CG1 4.34Å; A529-V641 HydrophobicContact CB-CG2 4.33Å |
| 530 | C | 83.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -63 | -20.7 | 177.3 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | F444 L526 L527 V528 S532 H533 A542 | F444-C530 HydrophobicContact CZ-CB 4.38Å; L526-C530 PolarHBondContact O-N 3.13Å; L526-C530 PolarHBondContact O-SG 3.41Å; L527-C530 WeakPolarHBondContact O-CB 3.28Å; L527-C530 PolarHBondContact O-N 2.85Å; V528-C530 PolarHBondContact O-N 2.98Å; C530-S532 PolarHBondContact O-N 3.01Å; C530-H533 WeakPolarHBondContact O-CB 3.2Å; C530-H533 PolarHBondContact O-N 3.17Å; C530-H533 VanDerWaalsContact O-N 3.08Å; C530-A542 HydrophobicContact CB-CB 3.64Å |
| 531 | L | 83.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -65.2 | -21.3 | 172.4 | -61.3 | 177.2 | 0 | 0 | 0 | 112.7 | V528 A529 R539 A542 Y543 L546 L593 L598 L608 | V528-L531 VanDerWaalsContact O-CB 3.31Å; V528-L531 WeakPolarHBondContact O-CB 3.15Å; V528-L531 WeakPolarHBondContact O-CG 3.28Å; V528-L531 PolarHBondContact O-N 3.09Å; V528-L531 VanDerWaalsContact O-N 3.13Å; A529-L531 PolarHBondContact O-N 3.45Å; L531-R539 WeakPolarHBondContact O-CD 3.3Å; L531-R539 WeakPolarHBondContact O-CG 3.44Å; L531-A542 HydrophobicContact CD2-CB 4.31Å; L531-Y543 HydrophobicContact CD2-CD2 4.35Å; L531-L546 HydrophobicContact CD1-CD1 3.77Å; L531-L546 HydrophobicContact CD2-CD1 4.25Å; L531-L546 HydrophobicContact CG-CD1 4.08Å; L531-L593 HydrophobicContact CD2-CD1 4.35Å; L531-L598 HydrophobicContact CB-CB 4.19Å; L531-L598 HydrophobicContact CB-CD2 3.8Å; L531-L598 HydrophobicContact CB-CG 4.43Å; L531-L598 HydrophobicContact CD1-CD2 4.22Å; L531-L598 VanDerWaalsContact O-CB 3.32Å; L531-L598 WeakPolarHBondContact O-CB 3.38Å; L531-L598 PolarHBondContact O-N 2.93Å; L531-L608 HydrophobicContact CD1-CD2 4.48Å |
| 532 | S | 78.9 | Confident | 81.6 | Confident | 19 Ų | 19 | 16.4 Ų | 16.4 | 13% | 0.133 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -91.8 | 3.1 | 175 | 73.7 | 0 | 0 | 0 | 0 | 113.7 | A529 C530 V641 | A529-S532 WeakPolarHBondContact O-CB 3.38Å; A529-S532 PolarHBondContact O-N 2.89Å; A529-S532 PolarHBondContact O-OG 2.99Å; C530-S532 PolarHBondContact O-N 3.01Å; S532-V641 WeakPolarHBondContact OG-CG1 3.48Å |
| 533 | H | 83.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | trans | -66.1 | 142.3 | -176.5 | -166.7 | -85.5 | 0 | 0 | 0 | 111.8 | C530 A535 I538 R539 | C530-H533 WeakPolarHBondContact O-CB 3.2Å; C530-H533 PolarHBondContact O-N 3.17Å; C530-H533 VanDerWaalsContact O-N 3.08Å; H533-A535 VanDerWaalsContact C-N 3.32Å; H533-A535 WeakPolarHBondContact ND1-CB 3.42Å; H533-A535 PolarHBondContact ND1-N 3.06Å; H533-A535 PolarHBondContact O-N 3.03Å; H533-I538 HydrophobicContact CB-CG2 4.06Å; H533-R539 HydrophobicContact CB-CG 4.33Å; H533-R539 WeakPolarHBondContact O-CD 3.29Å; H533-R539 WeakPolarHBondContact O-CG 3.21Å; H533-R539 PolarHBondContact O-NH1 3.38Å | ||
| 534 | P | 74.4 | Confident | 82.3 | Confident | 64 Ų | 64 | 14.5 Ų | 14.5 | 42% | 0.416 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -62.6 | -34.9 | -179.2 | 20.6 | -33.1 | 0 | 0 | 0 | 113.7 | Y461 A536 R539 | Y461-P534 HydrophobicContact CE2-CB 4.18Å; Y461-P534 HydrophobicContact CE2-CG 3.56Å; Y461-P534 WeakPolarHBondContact OH-CG 3.26Å; P534-A536 PolarHBondContact O-N 3.43Å; P534-R539 PolarHBondContact O-NH1 3.39Å |
| 535 | A | 77.1 | Confident | 82.2 | Confident | 14 Ų | 14 | 14.5 Ų | 14.5 | 12% | 0.116 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -77.4 | 116.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H533 I537 I538 R539 | H533-A535 VanDerWaalsContact C-N 3.32Å; H533-A535 WeakPolarHBondContact ND1-CB 3.42Å; H533-A535 PolarHBondContact ND1-N 3.06Å; H533-A535 PolarHBondContact O-N 3.03Å; A535-I537 VanDerWaalsContact C-N 3.32Å; A535-I537 PolarHBondContact O-N 3.4Å; A535-I538 HydrophobicContact CB-CB 4.39Å; A535-I538 HydrophobicContact CB-CD1 3.91Å; A535-I538 HydrophobicContact CB-CG1 4.11Å; A535-I538 PolarHBondContact O-N 3.19Å; A535-I538 VanDerWaalsContact O-N 3.14Å; A535-R539 PolarHBondContact O-N 3.33Å |
| 536 | A | 80.2 | Confident | 82.1 | Confident | 26 Ų | 26 | 14.5 Ų | 14.5 | 22% | 0.215 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.3 | -41.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P534 I538 R539 V540 L594 | P534-A536 PolarHBondContact O-N 3.43Å; A536-I538 VanDerWaalsContact C-N 3.26Å; A536-I538 PolarHBondContact O-N 3.47Å; A536-R539 WeakPolarHBondContact O-CB 3.15Å; A536-R539 PolarHBondContact O-N 2.94Å; A536-V540 WeakPolarHBondContact O-CG2 3.16Å; A536-V540 PolarHBondContact O-N 3.35Å; A536-L594 WeakPolarHBondContact CB-O 3.35Å |
| 537 | I | 79.3 | Confident | 82.3 | Confident | 91 Ų | 91 | 15.9 Ų | 15.9 | 47% | 0.467 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -63.1 | -35.7 | -177.7 | -54.3 | 167.5 | 0 | 0 | 0 | 111.2 | I466 I470 A535 E541 | I466-I537 HydrophobicContact CG2-CD1 4.3Å; I470-I537 HydrophobicContact CD1-CB 4.28Å; I470-I537 HydrophobicContact CD1-CG2 3.47Å; I470-I537 VanDerWaalsContact CD1-CG2 3.47Å; I470-I537 HydrophobicContact CG1-CG2 4.01Å; A535-I537 VanDerWaalsContact C-N 3.32Å; A535-I537 PolarHBondContact O-N 3.4Å; I537-E541 WeakPolarHBondContact O-CB 3.2Å; I537-E541 WeakPolarHBondContact O-CG 3.39Å; I537-E541 PolarHBondContact O-N 3.18Å |
| 538 | I | 81.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.1 | -40.6 | 179 | -63.8 | 178.5 | 0 | 0 | 0 | 110 | I443 Y469 L473 H533 A535 A536 A542 | I443-I538 HydrophobicContact CG2-CG2 4.32Å; Y469-I538 VanDerWaalsContact CB-CD1 3.48Å; Y469-I538 HydrophobicContact CD2-CD1 3.62Å; Y469-I538 HydrophobicContact CG-CD1 3.98Å; L473-I538 HydrophobicContact CD1-CB 4.35Å; L473-I538 HydrophobicContact CD1-CG2 3.71Å; H533-I538 HydrophobicContact CB-CG2 4.06Å; A535-I538 HydrophobicContact CB-CB 4.39Å; A535-I538 HydrophobicContact CB-CD1 3.91Å; A535-I538 HydrophobicContact CB-CG1 4.11Å; A535-I538 PolarHBondContact O-N 3.19Å; A535-I538 VanDerWaalsContact O-N 3.14Å; A536-I538 VanDerWaalsContact C-N 3.26Å; A536-I538 PolarHBondContact O-N 3.47Å; I538-A542 VanDerWaalsContact O-CB 3.28Å; I538-A542 WeakPolarHBondContact O-CB 3.35Å; I538-A542 PolarHBondContact O-N 3.2Å |
| 539 | R | 86.7 | Confident | 82.2 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 175.2 | -62.9 | -169 | -68 | -118.7 | 11.6 | 111.9 | L531 H533 P534 A535 A536 A542 Y543 L593 G595 D596 | L531-R539 WeakPolarHBondContact O-CD 3.3Å; L531-R539 WeakPolarHBondContact O-CG 3.44Å; H533-R539 HydrophobicContact CB-CG 4.33Å; H533-R539 WeakPolarHBondContact O-CD 3.29Å; H533-R539 WeakPolarHBondContact O-CG 3.21Å; H533-R539 PolarHBondContact O-NH1 3.38Å; P534-R539 PolarHBondContact O-NH1 3.39Å; A535-R539 PolarHBondContact O-N 3.33Å; A536-R539 WeakPolarHBondContact O-CB 3.15Å; A536-R539 PolarHBondContact O-N 2.94Å; R539-A542 PolarHBondContact O-N 2.94Å; R539-Y543 VanDerWaalsContact O-CB 3.32Å; R539-Y543 WeakPolarHBondContact O-CB 3.48Å; R539-Y543 PolarHBondContact O-N 3.37Å; R539-L593 HydrophobicContact CB-CB 4.44Å; R539-L593 HydrophobicContact CB-CD2 4.44Å; R539-L593 PolarHBondContact NE-O 3.3Å; R539-L593 PolarHBondContact NH2-O 3.37Å; R539-G595 PolarHBondContact NH2-O 2.91Å; R539-D596 PolarHBondContact NH2-O 3.44Å |
| 540 | V | 85.4 | Confident | 81.8 | Confident | 14 Ų | 14 | 19.5 Ų | 19.5 | 9% | 0.085 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68 | -43.8 | -178.8 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | A536 A542 Y543 D544 R590 L593 L594 | A536-V540 WeakPolarHBondContact O-CG2 3.16Å; A536-V540 PolarHBondContact O-N 3.35Å; V540-A542 PolarHBondContact O-N 3.04Å; V540-Y543 PolarHBondContact O-N 3.25Å; V540-D544 WeakPolarHBondContact O-CB 3.35Å; V540-D544 VanDerWaalsContact O-CG 3.26Å; V540-D544 PolarHBondContact O-N 3.48Å; V540-R590 HydrophobicContact CG1-CG 4.36Å; V540-L593 HydrophobicContact CG2-CB 4.26Å; V540-L594 HydrophobicContact CG2-CD2 3.71Å; V540-L594 HydrophobicContact CG2-CG 3.9Å |
| 541 | E | 82.5 | Confident | 81.4 | Confident | 32 Ų | 32 | 25 Ų | 25 | 15% | 0.15 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.2 | -76.9 | -86.2 | -160.2 | 0 | 0 | 111.4 | L473 R474 I537 D544 I545 | L473-E541 HydrophobicContact CD1-CB 3.98Å; R474-E541 IonicContact NE-OE1 2.75Å; R474-E541 IonicContact NH2-OE1 3.98Å; I537-E541 WeakPolarHBondContact O-CB 3.2Å; I537-E541 WeakPolarHBondContact O-CG 3.39Å; I537-E541 PolarHBondContact O-N 3.18Å; E541-D544 PolarHBondContact O-N 2.98Å; E541-I545 WeakPolarHBondContact O-CB 3.42Å; E541-I545 WeakPolarHBondContact O-CD1 3.41Å; E541-I545 WeakPolarHBondContact O-CG1 3.46Å; E541-I545 PolarHBondContact O-N 2.71Å |
| 542 | A | 85.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L473 C530 L531 I538 R539 V540 I545 L546 | L473-A542 HydrophobicContact CD1-CB 4.49Å; C530-A542 HydrophobicContact CB-CB 3.64Å; L531-A542 HydrophobicContact CD2-CB 4.31Å; I538-A542 VanDerWaalsContact O-CB 3.28Å; I538-A542 WeakPolarHBondContact O-CB 3.35Å; I538-A542 PolarHBondContact O-N 3.2Å; R539-A542 PolarHBondContact O-N 2.94Å; V540-A542 PolarHBondContact O-N 3.04Å; A542-I545 PolarHBondContact O-N 2.99Å; A542-L546 WeakPolarHBondContact O-CG 3.46Å; A542-L546 PolarHBondContact O-N 3.34Å |
| 543 | Y | 87.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 174.3 | -179.4 | -86.4 | 0 | 0 | 0 | 111.6 | L531 R539 V540 I545 L546 H547 F585 P586 I589 R590 L593 L608 | L531-Y543 HydrophobicContact CD2-CD2 4.35Å; R539-Y543 VanDerWaalsContact O-CB 3.32Å; R539-Y543 WeakPolarHBondContact O-CB 3.48Å; R539-Y543 PolarHBondContact O-N 3.37Å; V540-Y543 PolarHBondContact O-N 3.25Å; Y543-I545 VanDerWaalsContact C-N 3.27Å; Y543-I545 PolarHBondContact O-N 2.81Å; Y543-L546 PolarHBondContact O-N 3.02Å; Y543-H547 WeakPolarHBondContact O-CB 3.45Å; Y543-H547 PolarHBondContact O-N 3.11Å; Y543-F585 HydrophobicContact CD2-CD1 4.06Å; Y543-F585 HydrophobicContact CD2-CE1 4.38Å; Y543-F585 HydrophobicContact CE1-CD1 4.34Å; Y543-F585 AromaticContact CE2-CD1 3.56Å; Y543-F585 HydrophobicContact CE2-CD1 3.56Å; Y543-F585 HydrophobicContact CE2-CE1 4.23Å; Y543-F585 HydrophobicContact CE2-CG 4.5Å; Y543-F585 AromaticContact CZ-CD1 3.72Å; Y543-F585 WeakPolarHBondContact OH-CA 3.41Å; Y543-F585 WeakPolarHBondContact OH-CB 3.37Å; Y543-F585 PolarHBondContact OH-O 3.46Å; Y543-P586 PolarHBondContact OH-O 3.28Å; Y543-I589 HydrophobicContact CD2-CG2 4.37Å; Y543-I589 HydrophobicContact CE2-CB 4.23Å; Y543-I589 HydrophobicContact CE2-CG2 3.75Å; Y543-R590 HydrophobicContact CD1-CB 4.04Å; Y543-R590 HydrophobicContact CD1-CG 3.95Å; Y543-R590 HydrophobicContact CE1-CB 3.67Å; Y543-R590 HydrophobicContact CE1-CG 4.01Å; Y543-L593 HydrophobicContact CD2-CD1 3.56Å; Y543-L593 HydrophobicContact CE2-CD1 4.28Å; Y543-L593 HydrophobicContact CG-CD1 3.94Å; Y543-L608 HydrophobicContact CE2-CD2 4.48Å |
| 544 | D | 84.7 | Confident | 78.6 | Confident | 35 Ų | 35 | 34.9 Ų | 34.9 | 19% | 0.187 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | 178.8 | -73.4 | -12.6 | 0 | 0 | 0 | 111.2 | V540 E541 F548 R590 | V540-D544 WeakPolarHBondContact O-CB 3.35Å; V540-D544 VanDerWaalsContact O-CG 3.26Å; V540-D544 PolarHBondContact O-N 3.48Å; E541-D544 PolarHBondContact O-N 2.98Å; D544-F548 WeakPolarHBondContact O-CB 3.46Å; D544-F548 PolarHBondContact O-N 2.76Å; D544-R590 WeakPolarHBondContact OD1-CD 3.35Å; D544-R590 IonicContact OD1-CZ 3.63Å; D544-R590 IonicContact OD1-NE 3.07Å; D544-R590 PolarHBondContact OD1-NE 3.34Å; D544-R590 IonicContact OD1-NH2 3.73Å; D544-R590 IonicContact OD2-CZ 2.69Å; D544-R590 IonicContact OD2-NE 3.74Å; D544-R590 PolarHBondContact OD2-NE 3.17Å; D544-R590 IonicContact OD2-NH2 3.64Å; D544-R590 PolarHBondContact OD2-NH2 2.92Å; D544-R590 VanDerWaalsContact OD2-NH2 3.07Å |
| 545 | I | 82.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -45.3 | 175.4 | -66.1 | 163 | 0 | 0 | 0 | 111.4 | L473 K477 I480 L527 E541 A542 Y543 F548 W549 | L473-I545 HydrophobicContact CB-CD1 3.99Å; L473-I545 HydrophobicContact CD2-CD1 4.38Å; L473-I545 VanDerWaalsContact O-CD1 3.31Å; L473-I545 WeakPolarHBondContact O-CD1 3.45Å; K477-I545 HydrophobicContact CB-CD1 4.02Å; K477-I545 HydrophobicContact CB-CG1 3.89Å; K477-I545 HydrophobicContact CD-CG1 4.07Å; K477-I545 HydrophobicContact CG-CG1 4.04Å; I480-I545 HydrophobicContact CD1-CG2 3.54Å; L527-I545 HydrophobicContact CD1-CG2 4.24Å; L527-I545 HydrophobicContact CD2-CG2 3.94Å; E541-I545 WeakPolarHBondContact O-CB 3.42Å; E541-I545 WeakPolarHBondContact O-CD1 3.41Å; E541-I545 WeakPolarHBondContact O-CG1 3.46Å; E541-I545 PolarHBondContact O-N 2.71Å; A542-I545 PolarHBondContact O-N 2.99Å; Y543-I545 VanDerWaalsContact C-N 3.27Å; Y543-I545 PolarHBondContact O-N 2.81Å; I545-F548 PolarHBondContact O-N 3.16Å; I545-W549 WeakPolarHBondContact O-CB 3.3Å; I545-W549 PolarHBondContact O-N 3.35Å |
| 546 | L | 81.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -50.4 | 177.5 | -81 | 165.8 | 0 | 0 | 0 | 111.2 | L524 L527 V528 L531 A542 Y543 F548 W549 L550 F585 | L524-L546 HydrophobicContact CD1-CD2 3.85Å; L527-L546 HydrophobicContact CD2-CD2 3.54Å; L527-L546 HydrophobicContact CD2-CG 3.62Å; L527-L546 HydrophobicContact CG-CD2 4.28Å; L527-L546 HydrophobicContact CG-CG 4.14Å; V528-L546 HydrophobicContact CG2-CD1 4.07Å; V528-L546 HydrophobicContact CG2-CD2 3.93Å; L531-L546 HydrophobicContact CD1-CD1 3.77Å; L531-L546 HydrophobicContact CD2-CD1 4.25Å; L531-L546 HydrophobicContact CG-CD1 4.08Å; A542-L546 WeakPolarHBondContact O-CG 3.46Å; A542-L546 PolarHBondContact O-N 3.34Å; Y543-L546 PolarHBondContact O-N 3.02Å; L546-F548 VanDerWaalsContact C-N 3.32Å; L546-F548 PolarHBondContact O-N 3.09Å; L546-W549 PolarHBondContact O-N 3.3Å; L546-W549 VanDerWaalsContact O-N 3.17Å; L546-L550 WeakPolarHBondContact O-CD1 3.48Å; L546-L550 PolarHBondContact O-N 3.4Å; L546-F585 HydrophobicContact CB-CE1 3.88Å; L546-F585 HydrophobicContact CB-CZ 4.13Å |
| 547 | H | 83.6 | Confident | 75.4 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.9 | 179.8 | -138.6 | 0 | 0 | 0 | 111 | Y543 W549 K551 F585 | Y543-H547 WeakPolarHBondContact O-CB 3.45Å; Y543-H547 PolarHBondContact O-N 3.11Å; H547-W549 VanDerWaalsContact C-N 3.35Å; H547-W549 PolarHBondContact O-N 3.21Å; H547-K551 WeakPolarHBondContact O-CB 3.24Å; H547-K551 PolarHBondContact O-N 3.13Å; H547-F585 HydrophobicContact CB-CB 4.29Å; H547-F585 HydrophobicContact CB-CD1 3.92Å; H547-F585 HydrophobicContact CB-CG 4.13Å |
| 548 | F | 82.3 | Confident | 74.1 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 28% | 0.281 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61 | -41 | 175.2 | 174.9 | -89.4 | 0 | 0 | 0 | 112.9 | I480 N481 I484 D544 I545 L546 N552 | I480-F548 HydrophobicContact CG2-CD1 4.45Å; I480-F548 HydrophobicContact CG2-CE1 4.42Å; N481-F548 WeakPolarHBondContact OD1-CE1 3.47Å; N481-F548 WeakPolarHBondContact OD1-CZ 3.48Å; I484-F548 HydrophobicContact CD1-CD1 4.31Å; I484-F548 HydrophobicContact CD1-CE1 3.63Å; I484-F548 HydrophobicContact CD1-CZ 4.34Å; D544-F548 WeakPolarHBondContact O-CB 3.46Å; D544-F548 PolarHBondContact O-N 2.76Å; I545-F548 PolarHBondContact O-N 3.16Å; L546-F548 VanDerWaalsContact C-N 3.32Å; L546-F548 PolarHBondContact O-N 3.09Å; F548-N552 WeakPolarHBondContact CD2-ND2 3.42Å; F548-N552 WeakPolarHBondContact CE2-ND2 3.27Å; F548-N552 VanDerWaalsContact CZ-ND2 3.34Å; F548-N552 WeakPolarHBondContact CZ-ND2 3.48Å; F548-N552 WeakPolarHBondContact O-CB 3.15Å; F548-N552 PolarHBondContact O-N 2.96Å; F548-N552 PolarHBondContact O-ND2 2.91Å |
| 549 | W | 80.3 | Confident | 72.7 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.2 | -51.1 | -179.2 | -176.2 | 16.6 | 0 | 0 | 0 | 111.3 | I480 I520 L524 L527 I545 L546 H547 K551 N552 D553 F564 | I480-W549 HydrophobicContact CD1-CD2 4.41Å; I480-W549 HydrophobicContact CD1-CE3 4.32Å; I480-W549 HydrophobicContact CD1-CG 4.5Å; I480-W549 HydrophobicContact CG2-CB 3.99Å; I480-W549 HydrophobicContact CG2-CG 3.87Å; I520-W549 HydrophobicContact CG2-CH2 3.44Å; I520-W549 VanDerWaalsContact CG2-CH2 3.44Å; I520-W549 HydrophobicContact CG2-CZ2 3.31Å; I520-W549 HydrophobicContact CG2-CZ3 4.18Å; L524-W549 HydrophobicContact CB-CH2 4.03Å; L524-W549 HydrophobicContact CB-CZ3 3.92Å; L524-W549 HydrophobicContact CD1-CE3 4.12Å; L524-W549 HydrophobicContact CD1-CH2 4.09Å; L524-W549 HydrophobicContact CD1-CZ3 3.41Å; L524-W549 VanDerWaalsContact CD1-CZ3 3.41Å; L524-W549 HydrophobicContact CG-CH2 4.44Å; L524-W549 HydrophobicContact CG-CZ3 4.15Å; L527-W549 HydrophobicContact CD2-CE3 4.41Å; I545-W549 WeakPolarHBondContact O-CB 3.3Å; I545-W549 PolarHBondContact O-N 3.35Å; L546-W549 PolarHBondContact O-N 3.3Å; L546-W549 VanDerWaalsContact O-N 3.17Å; H547-W549 VanDerWaalsContact C-N 3.35Å; H547-W549 PolarHBondContact O-N 3.21Å; W549-K551 VanDerWaalsContact C-N 3.34Å; W549-K551 PolarHBondContact O-N 3.14Å; W549-N552 PolarHBondContact O-N 3.49Å; W549-D553 PolarHBondContact NE1-OD2 3.36Å; W549-D553 VanDerWaalsContact NE1-OD2 3.1Å; W549-D553 WeakPolarHBondContact O-CB 3.16Å; W549-D553 PolarHBondContact O-N 2.95Å; W549-D553 VanDerWaalsContact O-N 3.17Å; W549-F564 HydrophobicContact CH2-CD2 4.3Å; W549-F564 HydrophobicContact CH2-CE2 4.41Å; W549-F564 HydrophobicContact CZ2-CD2 4.21Å; W549-F564 HydrophobicContact CZ2-CE2 4.17Å |
| 550 | L | 74.9 | Confident | 71.3 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -36.8 | -179.8 | -85.8 | 130.6 | 0 | 0 | 0 | 112.8 | L546 F564 F567 I581 F585 | L546-L550 WeakPolarHBondContact O-CD1 3.48Å; L546-L550 PolarHBondContact O-N 3.4Å; L550-F564 HydrophobicContact CD2-CE1 4.12Å; L550-F564 HydrophobicContact CD2-CE2 4.47Å; L550-F564 HydrophobicContact CD2-CZ 3.53Å; L550-F564 HydrophobicContact CG-CE2 4.46Å; L550-F564 HydrophobicContact CG-CZ 3.89Å; L550-F567 HydrophobicContact CD1-CE1 4.22Å; L550-I581 HydrophobicContact CB-CG2 4.31Å; L550-F585 HydrophobicContact CD1-CE2 3.65Å; L550-F585 HydrophobicContact CD1-CZ 3.68Å |
| 551 | K | 75.2 | Confident | 70.3 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.7 | -32.8 | -179.8 | -173.4 | 168.2 | -173 | 155.2 | 0 | 113.8 | H547 W549 | H547-K551 WeakPolarHBondContact O-CB 3.24Å; H547-K551 PolarHBondContact O-N 3.13Å; W549-K551 VanDerWaalsContact C-N 3.34Å; W549-K551 PolarHBondContact O-N 3.14Å |
| 552 | N | 69.8 | Low | 69.6 | Low | 54 Ų | 54 | 60.5 Ų | 60.5 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -100.7 | -18.9 | -170.8 | -72.9 | -47.7 | 0 | 0 | 0 | 114.7 | I484 F548 W549 L554 | I484-N552 HydrophobicContact CD1-CB 3.95Å; I484-N552 HydrophobicContact CG2-CB 4.2Å; F548-N552 WeakPolarHBondContact CD2-ND2 3.42Å; F548-N552 WeakPolarHBondContact CE2-ND2 3.27Å; F548-N552 VanDerWaalsContact CZ-ND2 3.34Å; F548-N552 WeakPolarHBondContact CZ-ND2 3.48Å; F548-N552 WeakPolarHBondContact O-CB 3.15Å; F548-N552 PolarHBondContact O-N 2.96Å; F548-N552 PolarHBondContact O-ND2 2.91Å; W549-N552 PolarHBondContact O-N 3.49Å; N552-L554 PolarHBondContact O-N 3.48Å |
| 553 | D | 63.7 | Low | 69.2 | Low | 19 Ų | 19 | 61.4 Ų | 61.4 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | trans | -95.4 | 68.7 | -175.6 | -147.8 | -6.5 | 0 | 0 | 0 | 111 | H483 W549 S555 | H483-D553 IonicContact CE1-OD2 3.19Å; W549-D553 PolarHBondContact NE1-OD2 3.36Å; W549-D553 VanDerWaalsContact NE1-OD2 3.1Å; W549-D553 WeakPolarHBondContact O-CB 3.16Å; W549-D553 PolarHBondContact O-N 2.95Å; W549-D553 VanDerWaalsContact O-N 3.17Å; D553-S555 PolarHBondContact O-N 3.39Å; D553-S555 PolarHBondContact OD1-OG 3.48Å | ||
| 554 | L | 52.1 | Low | 68.5 | Low | 156 Ų | 156 | 61.8 Ų | 61.8 | 82% | 0.817 | 30% | 0.296 | S | S | * | . | trans | -74.8 | 17.8 | -178.4 | -79.8 | 159.4 | 0 | 0 | 0 | 114.2 | N552 | N552-L554 PolarHBondContact O-N 3.48Š| ||
| 555 | S | 53.3 | Low | 67.7 | Low | 32 Ų | 32 | 62.4 Ų | 62.4 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | trans | -83.6 | 128.5 | -172.5 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | D553 D557 L558 | D553-S555 PolarHBondContact O-N 3.39Å; D553-S555 PolarHBondContact OD1-OG 3.48Å; S555-D557 PolarHBondContact O-N 2.94Å; S555-L558 WeakPolarHBondContact O-CB 3.3Å; S555-L558 PolarHBondContact O-N 2.89Å; S555-L558 VanDerWaalsContact O-N 3.08Å | ||
| 556 | K | 55.3 | Low | 67.4 | Low | 186 Ų | 186 | 64 Ų | 64 | 81% | 0.809 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -56.5 | -12.5 | 171.5 | -74.1 | -175.9 | 175.4 | -178.6 | 0 | 113.9 | L558 | K556-L558 PolarHBondContact O-N 3.46Š|
| 557 | D | 55.6 | Low | 67.1 | Low | 87 Ų | 87 | 64.1 Ų | 64.1 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -69.6 | -17.5 | 175.8 | -70.5 | -36.4 | 0 | 0 | 0 | 113 | S555 R560 | S555-D557 PolarHBondContact O-N 2.94Å; D557-R560 PolarHBondContact O-N 2.73Å |
| 558 | L | 52.6 | Low | 66.4 | Low | 15 Ų | 15 | 63.8 Ų | 63.8 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -72.1 | -31.3 | -177.9 | -142.3 | 67.1 | 0 | 0 | 0 | 113.3 | S555 K556 R560 K561 F564 | S555-L558 WeakPolarHBondContact O-CB 3.3Å; S555-L558 PolarHBondContact O-N 2.89Å; S555-L558 VanDerWaalsContact O-N 3.08Å; K556-L558 PolarHBondContact O-N 3.46Å; L558-R560 PolarHBondContact O-N 3.2Å; L558-R560 VanDerWaalsContact O-N 3.15Å; L558-K561 HydrophobicContact CD1-CD 4Å; L558-K561 PolarHBondContact O-N 2.96Å; L558-F564 HydrophobicContact CB-CD1 4.45Å; L558-F564 HydrophobicContact CD1-CD2 4.19Å; L558-F564 HydrophobicContact CD1-CE2 4.41Å; L558-F564 HydrophobicContact CD1-CG 4.31Å; L558-F564 HydrophobicContact CD2-CD1 3.56Å; L558-F564 HydrophobicContact CD2-CD2 3.99Å; L558-F564 HydrophobicContact CD2-CE1 3.15Å; L558-F564 HydrophobicContact CD2-CE2 3.62Å; L558-F564 HydrophobicContact CD2-CG 3.96Å; L558-F564 HydrophobicContact CD2-CZ 3.18Å; L558-F564 HydrophobicContact CG-CB 4.36Å; L558-F564 HydrophobicContact CG-CD1 3.55Å; L558-F564 HydrophobicContact CG-CD2 3.93Å; L558-F564 HydrophobicContact CG-CE1 3.74Å; L558-F564 HydrophobicContact CG-CE2 4.1Å; L558-F564 HydrophobicContact CG-CG 3.65Å; L558-F564 HydrophobicContact CG-CZ 4Å |
| 559 | E | 53.3 | Low | 65.5 | Low | 146 Ų | 146 | 63.8 Ų | 63.8 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -61.3 | -22.9 | 176.4 | -70.3 | -178 | 176.7 | 0 | 0 | 113 | K561 | E559-K561 VanDerWaalsContact C-N 3.33Š|
| 560 | R | 56.2 | Low | 64.4 | Low | 218 Ų | 218 | 65 Ų | 65 | 82% | 0.823 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -83.3 | -6.8 | 178.4 | -68.9 | -178.5 | 177.6 | 167.2 | -0.1 | 113.5 | D557 L558 | D557-R560 PolarHBondContact O-N 2.73Å; L558-R560 PolarHBondContact O-N 3.2Å; L558-R560 VanDerWaalsContact O-N 3.15Å |
| 561 | K | 64.8 | Low | 63.4 | Low | 19 Ų | 19 | 67.5 Ų | 67.5 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | trans | -90.4 | 129.7 | -177.9 | -63.1 | -176 | -174.8 | 173.7 | 0 | 111.1 | D521 L558 E559 F564 S565 | D521-K561 HydrophobicContact CB-CD 4.28Å; L558-K561 HydrophobicContact CD1-CD 4Å; L558-K561 PolarHBondContact O-N 2.96Å; E559-K561 VanDerWaalsContact C-N 3.33Å; K561-F564 HydrophobicContact CB-CB 4.04Å; K561-S565 VanDerWaalsContact O-CB 3.28Å; K561-S565 WeakPolarHBondContact O-CB 3.36Å; K561-S565 PolarHBondContact O-N 3.49Å; K561-S565 PolarHBondContact O-OG 3.1Å | ||
| 562 | P | 67.6 | Low | 62.1 | Low | 83 Ų | 83 | 68.7 Ų | 68.7 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -47.9 | -171.1 | 25.2 | -33.8 | 0 | 0 | 0 | 113 | D521 S565 T566 | D521-P562 WeakPolarHBondContact OD2-CD 3.42Å; P562-S565 PolarHBondContact O-OG 3.38Å; P562-T566 WeakPolarHBondContact O-CB 3.44Å; P562-T566 PolarHBondContact O-N 2.73Å; P562-T566 VanDerWaalsContact O-N 3.13Å; P562-T566 PolarHBondContact O-OG1 3.36Å |
| 563 | N | 77.2 | Confident | 60.9 | Low | 19 Ų | 19 | 69.4 Ų | 69.4 | 10% | 0.102 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67 | -44.6 | -179.5 | -75.1 | -18.6 | 0 | 0 | 0 | 110.7 | D521 L524 T566 F567 L615 Q619 | D521-N563 PolarHBondContact O-ND2 3.25Å; L524-N563 HydrophobicContact CD2-CB 4.29Å; N563-T566 PolarHBondContact O-N 3.07Å; N563-F567 PolarHBondContact O-N 2.87Å; N563-L615 HydrophobicContact CB-CD1 3.86Å; N563-L615 WeakPolarHBondContact O-CD1 3.19Å; N563-Q619 PolarHBondContact OD1-NE2 3.16Å |
| 564 | F | 71.9 | Confident | 59.8 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 4% | 0.035 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 179.8 | -150.5 | -79.2 | 0 | 0 | 0 | 113.1 | L524 W549 L550 L558 K561 T566 F567 C568 | L524-F564 HydrophobicContact CD2-CB 4.35Å; L524-F564 HydrophobicContact CD2-CD2 3.86Å; L524-F564 HydrophobicContact CD2-CG 4.41Å; W549-F564 HydrophobicContact CH2-CD2 4.3Å; W549-F564 HydrophobicContact CH2-CE2 4.41Å; W549-F564 HydrophobicContact CZ2-CD2 4.21Å; W549-F564 HydrophobicContact CZ2-CE2 4.17Å; L550-F564 HydrophobicContact CD2-CE1 4.12Å; L550-F564 HydrophobicContact CD2-CE2 4.47Å; L550-F564 HydrophobicContact CD2-CZ 3.53Å; L550-F564 HydrophobicContact CG-CE2 4.46Å; L550-F564 HydrophobicContact CG-CZ 3.89Å; L558-F564 HydrophobicContact CB-CD1 4.45Å; L558-F564 HydrophobicContact CD1-CD2 4.19Å; L558-F564 HydrophobicContact CD1-CE2 4.41Å; L558-F564 HydrophobicContact CD1-CG 4.31Å; L558-F564 HydrophobicContact CD2-CD1 3.56Å; L558-F564 HydrophobicContact CD2-CD2 3.99Å; L558-F564 HydrophobicContact CD2-CE1 3.15Å; L558-F564 HydrophobicContact CD2-CE2 3.62Å; L558-F564 HydrophobicContact CD2-CG 3.96Å; L558-F564 HydrophobicContact CD2-CZ 3.18Å; L558-F564 HydrophobicContact CG-CB 4.36Å; L558-F564 HydrophobicContact CG-CD1 3.55Å; L558-F564 HydrophobicContact CG-CD2 3.93Å; L558-F564 HydrophobicContact CG-CE1 3.74Å; L558-F564 HydrophobicContact CG-CE2 4.1Å; L558-F564 HydrophobicContact CG-CG 3.65Å; L558-F564 HydrophobicContact CG-CZ 4Å; K561-F564 HydrophobicContact CB-CB 4.04Å; F564-T566 VanDerWaalsContact C-N 3.29Å; F564-T566 PolarHBondContact O-N 3.43Å; F564-F567 PolarHBondContact O-N 3.32Å; F564-C568 WeakPolarHBondContact CE1-SG 3.21Å; F564-C568 PolarHBondContact O-N 2.87Å |
| 565 | S | 69.2 | Low | 59.9 | Low | 48 Ų | 48 | 71.9 Ų | 71.9 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 176.7 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | K561 P562 C568 S569 | K561-S565 VanDerWaalsContact O-CB 3.28Å; K561-S565 WeakPolarHBondContact O-CB 3.36Å; K561-S565 PolarHBondContact O-N 3.49Å; K561-S565 PolarHBondContact O-OG 3.1Å; P562-S565 PolarHBondContact O-OG 3.38Å; S565-C568 PolarHBondContact O-N 2.85Å; S565-S569 VanDerWaalsContact O-CB 3.31Å; S565-S569 WeakPolarHBondContact O-CB 3.4Å; S565-S569 PolarHBondContact O-N 3.47Å; S565-S569 PolarHBondContact O-OG 2.94Å |
| 566 | T | 75 | Confident | 59.9 | Low | 34 Ų | 34 | 75.6 Ų | 75.6 | 21% | 0.209 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 177.1 | -46.6 | 0 | 0 | 0 | 0 | 111.3 | P562 N563 F564 S569 | P562-T566 WeakPolarHBondContact O-CB 3.44Å; P562-T566 PolarHBondContact O-N 2.73Å; P562-T566 VanDerWaalsContact O-N 3.13Å; P562-T566 PolarHBondContact O-OG1 3.36Å; N563-T566 PolarHBondContact O-N 3.07Å; F564-T566 VanDerWaalsContact C-N 3.29Å; F564-T566 PolarHBondContact O-N 3.43Å; T566-S569 PolarHBondContact O-OG 3.13Å |
| 567 | F | 76 | Confident | 60 | Low | 3 Ų | 3 | 71.7 Ų | 71.7 | 1% | 0.013 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.1 | -172.7 | -102.5 | 0 | 0 | 0 | 112.7 | L524 V528 L550 N563 F564 L608 A611 V612 L615 | L524-F567 HydrophobicContact CD2-CB 4.48Å; V528-F567 HydrophobicContact CG1-CE2 4.38Å; V528-F567 HydrophobicContact CG2-CD2 4.48Å; V528-F567 HydrophobicContact CG2-CE2 4.04Å; L550-F567 HydrophobicContact CD1-CE1 4.22Å; N563-F567 PolarHBondContact O-N 2.87Å; F564-F567 PolarHBondContact O-N 3.32Å; F567-L608 HydrophobicContact CZ-CD1 4.3Å; F567-A611 HydrophobicContact CD2-CB 4.02Å; F567-A611 HydrophobicContact CE2-CB 3.83Å; F567-A611 HydrophobicContact CG-CB 4.48Å; F567-A611 HydrophobicContact CZ-CB 4.12Å; F567-A611 WeakPolarHBondContact O-CB 3.49Å; F567-V612 HydrophobicContact CE2-CG2 4.34Å; F567-L615 HydrophobicContact CB-CB 4.42Å; F567-L615 HydrophobicContact CB-CD1 4.5Å; F567-L615 HydrophobicContact CB-CD2 4.26Å; F567-L615 HydrophobicContact CD2-CB 4.11Å; F567-L615 HydrophobicContact CD2-CD2 3.85Å; F567-L615 HydrophobicContact CG-CD2 4.39Å |
| 568 | C | 67.9 | Low | 60 | Low | 22 Ų | 22 | 70.7 Ų | 70.7 | 15% | 0.149 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -86.8 | -12.3 | -176.4 | -67.3 | 0 | 0 | 0 | 0 | 115 | F564 S565 N570 L573 F577 | F564-C568 WeakPolarHBondContact CE1-SG 3.21Å; F564-C568 PolarHBondContact O-N 2.87Å; S565-C568 PolarHBondContact O-N 2.85Å; C568-N570 PolarHBondContact O-N 3.3Å; C568-L573 WeakPolarHBondContact O-CD1 3.45Å; C568-F577 HydrophobicContact CB-CZ 4.1Å |
| 569 | S | 64.3 | Low | 60.4 | Low | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | trans | -71.3 | 77.6 | -176.7 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | S565 T566 R614 | S565-S569 VanDerWaalsContact O-CB 3.31Å; S565-S569 WeakPolarHBondContact O-CB 3.4Å; S565-S569 PolarHBondContact O-N 3.47Å; S565-S569 PolarHBondContact O-OG 2.94Å; T566-S569 PolarHBondContact O-OG 3.13Å; S569-R614 PolarHBondContact O-NH1 3.35Å | ||
| 570 | N | 56.1 | Low | 60.7 | Low | 27 Ų | 27 | 67.4 Ų | 67.4 | 14% | 0.144 | 39% | 0.389 | C | S | . | . | trans | -86.5 | 136.8 | 165.1 | -70.1 | -33.8 | 0 | 0 | 0 | 110.9 | C568 D572 L573 R614 | C568-N570 PolarHBondContact O-N 3.3Å; N570-D572 PolarHBondContact O-N 2.94Å; N570-L573 HydrophobicContact CB-CD1 3.52Å; N570-L573 HydrophobicContact CB-CD2 4.36Å; N570-L573 HydrophobicContact CB-CG 3.66Å; N570-L573 PolarHBondContact O-N 2.7Å; N570-R614 PolarHBondContact OD1-NH1 2.87Å | ||
| 571 | S | 53.7 | Low | 61 | Low | 63 Ų | 63 | 57.9 Ų | 57.9 | 44% | 0.441 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -15.8 | -176 | 52.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 572 | D | 48 | Very low | 61.2 | Low | 139 Ų | 139 | 61.4 Ų | 61.4 | 74% | 0.743 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | 7.2 | -170.3 | -60.8 | -22.7 | 0 | 0 | 0 | 114.3 | N570 T574 | N570-D572 PolarHBondContact O-N 2.94Å; D572-T574 PolarHBondContact O-N 3.08Å; D572-T574 VanDerWaalsContact O-N 3.16Å |
| 573 | L | 44.6 | Very low | 61.3 | Low | 69 Ų | 69 | 63.9 Ų | 63.9 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | trans | -75.4 | 110 | -175.3 | -65.9 | 161.4 | 0 | 0 | 0 | 112 | C568 N570 Q580 | C568-L573 WeakPolarHBondContact O-CD1 3.45Å; N570-L573 HydrophobicContact CB-CD1 3.52Å; N570-L573 HydrophobicContact CB-CD2 4.36Å; N570-L573 HydrophobicContact CB-CG 3.66Å; N570-L573 PolarHBondContact O-N 2.7Å; L573-Q580 HydrophobicContact CD2-CB 4.07Å; L573-Q580 HydrophobicContact CD2-CG 3.73Å | ||
| 574 | T | 40.5 | Very low | 60.9 | Low | 107 Ų | 107 | 64 Ų | 64 | 66% | 0.656 | 38% | 0.379 | S | S | * | . | trans | -96.3 | 136.9 | 167.6 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | D572 D576 Q580 | D572-T574 PolarHBondContact O-N 3.08Å; D572-T574 VanDerWaalsContact O-N 3.16Å; T574-D576 VanDerWaalsContact C-N 3.31Å; T574-D576 PolarHBondContact O-N 3.32Å; T574-Q580 PolarHBondContact O-NE2 3.4Å | ||
| 575 | S | 54.7 | Low | 61.1 | Low | 120 Ų | 120 | 63.9 Ų | 63.9 | 84% | 0.839 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 7.8 | -15.6 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 125.9 | ||
| 576 | D | 53.7 | Low | 61.5 | Low | 111 Ų | 111 | 63.4 Ų | 63.4 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | trans | -106.9 | 75.6 | -173.2 | -77 | -10.9 | 0 | 0 | 0 | 113.7 | T574 A578 A579 Q580 | T574-D576 VanDerWaalsContact C-N 3.31Å; T574-D576 PolarHBondContact O-N 3.32Å; D576-A578 VanDerWaalsContact C-N 3.26Å; D576-A578 PolarHBondContact O-N 3.21Å; D576-A579 PolarHBondContact O-N 3.41Å; D576-Q580 WeakPolarHBondContact O-CG 3.49Å; D576-Q580 PolarHBondContact O-N 3.42Å; D576-Q580 PolarHBondContact O-OE1 2.89Å | ||
| 577 | F | 56.4 | Low | 61.5 | Low | 103 Ų | 103 | 67.1 Ų | 67.1 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.6 | -32.2 | -176.9 | -136.9 | -88.1 | 0 | 0 | 0 | 114 | C568 I581 | C568-F577 HydrophobicContact CB-CZ 4.1Å; F577-I581 HydrophobicContact CD1-CD1 4.12Å; F577-I581 WeakPolarHBondContact O-CG1 3.26Å; F577-I581 PolarHBondContact O-N 3.4Å |
| 578 | A | 56.8 | Low | 61.7 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 55% | 0.554 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -75.1 | -43.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D576 Q580 I581 | D576-A578 VanDerWaalsContact C-N 3.26Å; D576-A578 PolarHBondContact O-N 3.21Å; A578-Q580 PolarHBondContact O-N 3.46Å; A578-I581 PolarHBondContact O-N 2.88Å |
| 579 | A | 61.5 | Low | 62.4 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 50% | 0.496 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.4 | -30.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D576 D582 E583 | D576-A579 PolarHBondContact O-N 3.41Å; A579-D582 PolarHBondContact O-N 2.91Å; A579-E583 PolarHBondContact O-N 2.84Å |
| 580 | Q | 59.2 | Low | 63.1 | Low | 31 Ų | 31 | 73.5 Ų | 73.5 | 15% | 0.145 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -75.2 | -27.4 | 179.6 | -69.9 | 160.6 | -3.4 | 0 | 0 | 113.1 | L573 T574 D576 A578 E583 L584 | L573-Q580 HydrophobicContact CD2-CB 4.07Å; L573-Q580 HydrophobicContact CD2-CG 3.73Å; T574-Q580 PolarHBondContact O-NE2 3.4Å; D576-Q580 WeakPolarHBondContact O-CG 3.49Å; D576-Q580 PolarHBondContact O-N 3.42Å; D576-Q580 PolarHBondContact O-OE1 2.89Å; A578-Q580 PolarHBondContact O-N 3.46Å; Q580-E583 PolarHBondContact O-N 3.48Å; Q580-L584 PolarHBondContact O-N 3.04Å; Q580-L584 VanDerWaalsContact O-N 3.13Å |
| 581 | I | 62.3 | Low | 64.4 | Low | 19 Ų | 19 | 79.1 Ų | 79.1 | 10% | 0.097 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 172.5 | -70.7 | 167 | 0 | 0 | 0 | 110.3 | L550 F577 A578 E583 L584 F585 | L550-I581 HydrophobicContact CB-CG2 4.31Å; F577-I581 HydrophobicContact CD1-CD1 4.12Å; F577-I581 WeakPolarHBondContact O-CG1 3.26Å; F577-I581 PolarHBondContact O-N 3.4Å; A578-I581 PolarHBondContact O-N 2.88Å; I581-E583 VanDerWaalsContact C-N 3.32Å; I581-E583 PolarHBondContact O-N 2.75Å; I581-L584 PolarHBondContact O-N 3.1Å; I581-F585 HydrophobicContact CG2-CD2 4.47Å; I581-F585 PolarHBondContact O-N 3.46Å; I581-F585 VanDerWaalsContact O-N 3.1Å |
| 582 | D | 68.2 | Low | 65.7 | Low | 93 Ų | 93 | 79.2 Ų | 79.2 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.1 | -32.1 | 176.5 | -72.6 | -22.6 | 0 | 0 | 0 | 111.7 | A579 F585 | A579-D582 PolarHBondContact O-N 2.91Å; D582-F585 CarbonylContact O-C 3.52Å |
| 583 | E | 69.4 | Low | 67.2 | Low | 135 Ų | 135 | 72.6 Ų | 72.6 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69.5 | -30 | 171.6 | -77.2 | -172 | 166.2 | 0 | 0 | 113.7 | A579 Q580 I581 P586 | A579-E583 PolarHBondContact O-N 2.84Å; Q580-E583 PolarHBondContact O-N 3.48Å; I581-E583 VanDerWaalsContact C-N 3.32Å; I581-E583 PolarHBondContact O-N 2.75Å; E583-P586 WeakPolarHBondContact O-CD 3.3Å |
| 584 | L | 69.3 | Low | 68.7 | Low | 21 Ų | 21 | 74.3 Ų | 74.3 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -76.7 | -30.5 | 177.1 | -94.4 | 151.5 | 0 | 0 | 0 | 112.6 | Q580 I581 L607 L608 A611 | Q580-L584 PolarHBondContact O-N 3.04Å; Q580-L584 VanDerWaalsContact O-N 3.13Å; I581-L584 PolarHBondContact O-N 3.1Å; L584-L607 HydrophobicContact CD2-CB 4.45Å; L584-L608 HydrophobicContact CD2-CB 4.44Å; L584-L608 HydrophobicContact CD2-CD1 4.41Å; L584-A611 HydrophobicContact CD2-CB 4.41Å |
| 585 | F | 75.9 | Confident | 70.4 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -124.1 | 61.2 | -177.3 | -64 | -90.3 | 0 | 0 | 0 | 113.7 | Y543 L546 H547 L550 I581 D582 L608 | Y543-F585 HydrophobicContact CD2-CD1 4.06Å; Y543-F585 HydrophobicContact CD2-CE1 4.38Å; Y543-F585 HydrophobicContact CE1-CD1 4.34Å; Y543-F585 AromaticContact CE2-CD1 3.56Å; Y543-F585 HydrophobicContact CE2-CD1 3.56Å; Y543-F585 HydrophobicContact CE2-CE1 4.23Å; Y543-F585 HydrophobicContact CE2-CG 4.5Å; Y543-F585 AromaticContact CZ-CD1 3.72Å; Y543-F585 WeakPolarHBondContact OH-CA 3.41Å; Y543-F585 WeakPolarHBondContact OH-CB 3.37Å; Y543-F585 PolarHBondContact OH-O 3.46Å; L546-F585 HydrophobicContact CB-CE1 3.88Å; L546-F585 HydrophobicContact CB-CZ 4.13Å; H547-F585 HydrophobicContact CB-CB 4.29Å; H547-F585 HydrophobicContact CB-CD1 3.92Å; H547-F585 HydrophobicContact CB-CG 4.13Å; L550-F585 HydrophobicContact CD1-CE2 3.65Å; L550-F585 HydrophobicContact CD1-CZ 3.68Å; I581-F585 HydrophobicContact CG2-CD2 4.47Å; I581-F585 PolarHBondContact O-N 3.46Å; I581-F585 VanDerWaalsContact O-N 3.1Å; D582-F585 CarbonylContact O-C 3.52Å; F585-L608 HydrophobicContact CE1-CD1 4.21Å; F585-L608 HydrophobicContact CZ-CD1 4.12Å |
| 586 | P | 78 | Confident | 71.5 | Confident | 37 Ų | 37 | 70 Ų | 70 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | trans | -69.8 | 140 | 171.6 | 25.9 | -33.8 | 0 | 0 | 0 | 112.1 | Y543 E583 E588 I589 | Y543-P586 PolarHBondContact OH-O 3.28Å; E583-P586 WeakPolarHBondContact O-CD 3.3Å; P586-E588 PolarHBondContact O-N 2.99Å; P586-I589 HydrophobicContact CG-CD1 3.5Å; P586-I589 HydrophobicContact CG-CG1 3.86Å; P586-I589 WeakPolarHBondContact O-CB 3.24Å; P586-I589 PolarHBondContact O-N 2.91Å | ||
| 587 | E | 75.3 | Confident | 72.5 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.5 | -27.7 | 178.7 | -73.6 | -69 | 160.5 | 0 | 0 | 113.3 | I589 R590 E591 | E587-I589 VanDerWaalsContact C-N 3.29Å; E587-I589 PolarHBondContact O-N 3.11Å; E587-R590 VanDerWaalsContact O-CB 3.24Å; E587-R590 WeakPolarHBondContact O-CB 3.47Å; E587-R590 PolarHBondContact O-N 2.77Å; E587-R590 VanDerWaalsContact O-N 3.07Å; E587-R590 WeakPolarHBondContact OE2-CD 3.29Å; E587-E591 PolarHBondContact O-N 2.94Å; E587-E591 VanDerWaalsContact O-N 3.16Å |
| 588 | E | 81.1 | Confident | 73.6 | Confident | 134 Ų | 134 | 60.7 Ų | 60.7 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59 | -39.2 | 175.5 | -63.7 | 161.9 | -175.5 | 0 | 0 | 112 | P586 R590 E591 L592 | P586-E588 PolarHBondContact O-N 2.99Å; E588-R590 VanDerWaalsContact C-N 3.3Å; E588-R590 PolarHBondContact O-N 2.99Å; E588-E591 PolarHBondContact O-N 3.49Å; E588-L592 WeakPolarHBondContact O-CB 3.34Å; E588-L592 WeakPolarHBondContact O-CG 3.46Å; E588-L592 PolarHBondContact O-N 2.94Å |
| 589 | I | 80.6 | Confident | 74.5 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -35.5 | 177.2 | -66 | 172.2 | 0 | 0 | 0 | 110.2 | Y543 P586 E587 L592 L593 V604 A605 L608 | Y543-I589 HydrophobicContact CD2-CG2 4.37Å; Y543-I589 HydrophobicContact CE2-CB 4.23Å; Y543-I589 HydrophobicContact CE2-CG2 3.75Å; P586-I589 HydrophobicContact CG-CD1 3.5Å; P586-I589 HydrophobicContact CG-CG1 3.86Å; P586-I589 WeakPolarHBondContact O-CB 3.24Å; P586-I589 PolarHBondContact O-N 2.91Å; E587-I589 VanDerWaalsContact C-N 3.29Å; E587-I589 PolarHBondContact O-N 3.11Å; I589-L592 PolarHBondContact O-N 2.83Å; I589-L593 HydrophobicContact CG2-CD1 3.89Å; I589-L593 HydrophobicContact CG2-CG 4.15Å; I589-L593 WeakPolarHBondContact O-CB 3.09Å; I589-L593 VanDerWaalsContact O-CG 3.26Å; I589-L593 WeakPolarHBondContact O-CG 3.48Å; I589-L593 PolarHBondContact O-N 3.13Å; I589-V604 HydrophobicContact CG1-CG1 4.49Å; I589-A605 HydrophobicContact CD1-CB 3.51Å; I589-A605 HydrophobicContact CG1-CB 3.99Å; I589-A605 HydrophobicContact CG2-CB 4.44Å; I589-L608 HydrophobicContact CG2-CD2 4.31Å |
| 590 | R | 80.3 | Confident | 75.2 | Confident | 85 Ų | 85 | 62 Ų | 62 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 178.1 | -170.6 | -179.4 | 175.8 | -91.9 | -8.1 | 111.7 | V540 Y543 D544 E587 E588 | V540-R590 HydrophobicContact CG1-CG 4.36Å; Y543-R590 HydrophobicContact CD1-CB 4.04Å; Y543-R590 HydrophobicContact CD1-CG 3.95Å; Y543-R590 HydrophobicContact CE1-CB 3.67Å; Y543-R590 HydrophobicContact CE1-CG 4.01Å; D544-R590 WeakPolarHBondContact OD1-CD 3.35Å; D544-R590 IonicContact OD1-CZ 3.63Å; D544-R590 IonicContact OD1-NE 3.07Å; D544-R590 PolarHBondContact OD1-NE 3.34Å; D544-R590 IonicContact OD1-NH2 3.73Å; D544-R590 IonicContact OD2-CZ 2.69Å; D544-R590 IonicContact OD2-NE 3.74Å; D544-R590 PolarHBondContact OD2-NE 3.17Å; D544-R590 IonicContact OD2-NH2 3.64Å; D544-R590 PolarHBondContact OD2-NH2 2.92Å; D544-R590 VanDerWaalsContact OD2-NH2 3.07Å; E587-R590 VanDerWaalsContact O-CB 3.24Å; E587-R590 WeakPolarHBondContact O-CB 3.47Å; E587-R590 PolarHBondContact O-N 2.77Å; E587-R590 VanDerWaalsContact O-N 3.07Å; E587-R590 WeakPolarHBondContact OE2-CD 3.29Å; E588-R590 VanDerWaalsContact C-N 3.3Å; E588-R590 PolarHBondContact O-N 2.99Å |
| 591 | E | 82.3 | Confident | 76.1 | Confident | 144 Ų | 144 | 60.9 Ų | 60.9 | 67% | 0.673 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 175.1 | -68.3 | -166.2 | 163.9 | 0 | 0 | 111.8 | E587 E588 L593 L594 | E587-E591 PolarHBondContact O-N 2.94Å; E587-E591 VanDerWaalsContact O-N 3.16Å; E588-E591 PolarHBondContact O-N 3.49Å; E591-L593 VanDerWaalsContact C-N 3.33Å; E591-L593 PolarHBondContact O-N 3.27Å; E591-L594 VanDerWaalsContact O-CB 3.29Å; E591-L594 WeakPolarHBondContact O-CB 3.48Å; E591-L594 PolarHBondContact O-N 2.98Å |
| 592 | L | 81.3 | Confident | 76.6 | Confident | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 178.9 | -71.6 | 170.1 | 0 | 0 | 0 | 112.8 | E588 I589 L594 G595 D596 L601 V604 | E588-L592 WeakPolarHBondContact O-CB 3.34Å; E588-L592 WeakPolarHBondContact O-CG 3.46Å; E588-L592 PolarHBondContact O-N 2.94Å; I589-L592 PolarHBondContact O-N 2.83Å; L592-L594 PolarHBondContact O-N 2.81Å; L592-G595 PolarHBondContact O-N 3.33Å; L592-G595 VanDerWaalsContact O-N 3.1Å; L592-D596 PolarHBondContact O-N 2.9Å; L592-L601 HydrophobicContact CB-CD1 3.92Å; L592-L601 HydrophobicContact CB-CD2 3.77Å; L592-L601 HydrophobicContact CD1-CD2 4.16Å; L592-L601 HydrophobicContact CG-CD2 4.4Å; L592-V604 HydrophobicContact CD1-CB 4.26Å; L592-V604 HydrophobicContact CD1-CG1 3.73Å; L592-V604 HydrophobicContact CD1-CG2 4.27Å |
| 593 | L | 80.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18 | 176.5 | -75.7 | 170.6 | 0 | 0 | 0 | 113.6 | L531 R539 V540 Y543 I589 E591 G595 D596 L598 L601 | L531-L593 HydrophobicContact CD2-CD1 4.35Å; R539-L593 HydrophobicContact CB-CB 4.44Å; R539-L593 HydrophobicContact CB-CD2 4.44Å; R539-L593 PolarHBondContact NE-O 3.3Å; R539-L593 PolarHBondContact NH2-O 3.37Å; V540-L593 HydrophobicContact CG2-CB 4.26Å; Y543-L593 HydrophobicContact CD2-CD1 3.56Å; Y543-L593 HydrophobicContact CE2-CD1 4.28Å; Y543-L593 HydrophobicContact CG-CD1 3.94Å; I589-L593 HydrophobicContact CG2-CD1 3.89Å; I589-L593 HydrophobicContact CG2-CG 4.15Å; I589-L593 WeakPolarHBondContact O-CB 3.09Å; I589-L593 VanDerWaalsContact O-CG 3.26Å; I589-L593 WeakPolarHBondContact O-CG 3.48Å; I589-L593 PolarHBondContact O-N 3.13Å; E591-L593 VanDerWaalsContact C-N 3.33Å; E591-L593 PolarHBondContact O-N 3.27Å; L593-G595 VanDerWaalsContact C-N 3.31Å; L593-D596 WeakPolarHBondContact CA-O 3.24Å; L593-L598 HydrophobicContact CD2-CB 4.41Å; L593-L601 HydrophobicContact CD2-CD1 3.73Å; L593-L601 HydrophobicContact CG-CD1 3.92Å |
| 594 | L | 74.9 | Confident | 77.2 | Confident | 105 Ų | 105 | 63.2 Ų | 63.2 | 55% | 0.55 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -31.5 | 172.6 | -72 | 165.2 | 0 | 0 | 0 | 112.6 | A536 V540 E591 L592 | A536-L594 WeakPolarHBondContact CB-O 3.35Å; V540-L594 HydrophobicContact CG2-CD2 3.71Å; V540-L594 HydrophobicContact CG2-CG 3.9Å; E591-L594 VanDerWaalsContact O-CB 3.29Å; E591-L594 WeakPolarHBondContact O-CB 3.48Å; E591-L594 PolarHBondContact O-N 2.98Å; L592-L594 PolarHBondContact O-N 2.81Å |
| 595 | G | 76.5 | Confident | 77.6 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -61.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | R539 L592 L593 | R539-G595 PolarHBondContact NH2-O 2.91Å; L592-G595 PolarHBondContact O-N 3.33Å; L592-G595 VanDerWaalsContact O-N 3.1Å; L593-G595 VanDerWaalsContact C-N 3.31Å |
| 596 | D | 77.7 | Confident | 77.7 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -102.6 | 140 | -163.6 | -74.4 | -19.9 | 0 | 0 | 0 | 112.4 | R539 L592 L593 S600 L601 | R539-D596 PolarHBondContact NH2-O 3.44Å; L592-D596 PolarHBondContact O-N 2.9Å; L593-D596 WeakPolarHBondContact CA-O 3.24Å; D596-S600 WeakPolarHBondContact CB-OG 3.34Å; D596-L601 HydrophobicContact CB-CD2 4.01Å; D596-L601 HydrophobicContact CB-CG 4.43Å |
| 597 | P | 76 | Confident | 77.6 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | trans | -67.2 | 162 | 172.7 | 25 | -31.4 | 0 | 0 | 0 | 112.7 | Y599 S600 | P597-Y599 HydrophobicContact CB-CD1 3.73Å; P597-Y599 HydrophobicContact CB-CE1 3.4Å; P597-Y599 HydrophobicContact CG-CD1 3.88Å; P597-Y599 HydrophobicContact CG-CD2 4.45Å; P597-Y599 HydrophobicContact CG-CE1 3.24Å; P597-Y599 HydrophobicContact CG-CE2 3.89Å; P597-Y599 HydrophobicContact CG-CG 4.45Å; P597-Y599 WeakPolarHBondContact CG-OH 3.23Å; P597-Y599 PolarHBondContact O-N 2.7Å; P597-Y599 VanDerWaalsContact O-N 3.14Å; P597-S600 WeakPolarHBondContact CD-OG 3.44Å; P597-S600 WeakPolarHBondContact CG-OG 3.24Å; P597-S600 PolarHBondContact O-N 3.12Å; P597-S600 VanDerWaalsContact O-N 3.09Å; P597-S600 PolarHBondContact O-OG 3.39Å | ||
| 598 | L | 78.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -55.6 | -37 | -177.4 | -175 | 69.1 | 0 | 0 | 0 | 113.4 | L531 L593 S600 L601 L608 I609 V612 L645 | L531-L598 HydrophobicContact CB-CB 4.19Å; L531-L598 HydrophobicContact CB-CD2 3.8Å; L531-L598 HydrophobicContact CB-CG 4.43Å; L531-L598 HydrophobicContact CD1-CD2 4.22Å; L531-L598 VanDerWaalsContact O-CB 3.32Å; L531-L598 WeakPolarHBondContact O-CB 3.38Å; L531-L598 PolarHBondContact O-N 2.93Å; L593-L598 HydrophobicContact CD2-CB 4.41Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 3.28Å; L598-L601 PolarHBondContact O-N 3.45Å; L598-L608 HydrophobicContact CD1-CD2 3.95Å; L598-I609 HydrophobicContact CD1-CD1 4.32Å; L598-I609 HydrophobicContact CD1-CG1 3.94Å; L598-I609 HydrophobicContact CD2-CG1 4.33Å; L598-I609 HydrophobicContact CG-CD1 4.37Å; L598-I609 HydrophobicContact CG-CG1 3.93Å; L598-I609 WeakPolarHBondContact O-CD1 3.17Å; L598-V612 HydrophobicContact CD2-CG1 4.49Å; L598-V612 HydrophobicContact CD2-CG2 4.03Å; L598-L645 HydrophobicContact CD2-CD1 4.39Å; L598-L645 HydrophobicContact CD2-CD2 4.24Å; L598-L645 HydrophobicContact CG-CD2 4.28Å |
| 599 | Y | 76.2 | Confident | 78 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 38% | 0.384 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -66.2 | -25 | -177.9 | 64.8 | -99.9 | 0 | 0 | 0 | 113.8 | P597 L601 | P597-Y599 HydrophobicContact CB-CD1 3.73Å; P597-Y599 HydrophobicContact CB-CE1 3.4Å; P597-Y599 HydrophobicContact CG-CD1 3.88Å; P597-Y599 HydrophobicContact CG-CD2 4.45Å; P597-Y599 HydrophobicContact CG-CE1 3.24Å; P597-Y599 HydrophobicContact CG-CE2 3.89Å; P597-Y599 HydrophobicContact CG-CG 4.45Å; P597-Y599 WeakPolarHBondContact CG-OH 3.23Å; P597-Y599 PolarHBondContact O-N 2.7Å; P597-Y599 VanDerWaalsContact O-N 3.14Å; Y599-L601 VanDerWaalsContact C-N 3.35Å |
| 600 | S | 75.5 | Confident | 78 | Confident | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -80.6 | -16 | 174 | 30 | 0 | 0 | 0 | 0 | 113.1 | D596 P597 L598 N602 | D596-S600 WeakPolarHBondContact CB-OG 3.34Å; P597-S600 WeakPolarHBondContact CD-OG 3.44Å; P597-S600 WeakPolarHBondContact CG-OG 3.24Å; P597-S600 PolarHBondContact O-N 3.12Å; P597-S600 VanDerWaalsContact O-N 3.09Å; P597-S600 PolarHBondContact O-OG 3.39Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 3.28Å; S600-N602 VanDerWaalsContact C-N 3.3Å; S600-N602 PolarHBondContact O-N 2.87Å |
| 601 | L | 77.6 | Confident | 77.9 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -90.3 | 18 | -178 | -58.7 | 179.3 | 0 | 0 | 0 | 113.5 | L592 L593 D596 L598 Y599 K603 V604 A605 | L592-L601 HydrophobicContact CB-CD1 3.92Å; L592-L601 HydrophobicContact CB-CD2 3.77Å; L592-L601 HydrophobicContact CD1-CD2 4.16Å; L592-L601 HydrophobicContact CG-CD2 4.4Å; L593-L601 HydrophobicContact CD2-CD1 3.73Å; L593-L601 HydrophobicContact CG-CD1 3.92Å; D596-L601 HydrophobicContact CB-CD2 4.01Å; D596-L601 HydrophobicContact CB-CG 4.43Å; L598-L601 PolarHBondContact O-N 3.45Å; Y599-L601 VanDerWaalsContact C-N 3.35Å; L601-K603 VanDerWaalsContact C-N 3.26Å; L601-K603 PolarHBondContact O-N 3.36Å; L601-K603 VanDerWaalsContact O-N 3.1Å; L601-V604 PolarHBondContact O-N 3.14Å; L601-V604 VanDerWaalsContact O-N 3.09Å; L601-A605 HydrophobicContact CB-CB 4.19Å; L601-A605 WeakPolarHBondContact O-CB 3.35Å; L601-A605 PolarHBondContact O-N 2.85Å |
| 602 | N | 73.2 | Confident | 77.9 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -38.1 | -173.3 | -166.5 | 35.6 | 0 | 0 | 0 | 115 | S600 S606 I609 N647 | S600-N602 VanDerWaalsContact C-N 3.3Å; S600-N602 PolarHBondContact O-N 2.87Å; N602-S606 WeakPolarHBondContact O-CA 3.43Å; N602-S606 WeakPolarHBondContact O-CB 3.32Å; N602-S606 PolarHBondContact O-N 3.37Å; N602-I609 HydrophobicContact CB-CD1 4.2Å; N602-N647 WeakPolarHBondContact ND2-CB 3.41Å; N602-N647 PolarHBondContact ND2-ND2 3.44Å |
| 603 | K | 74.9 | Confident | 78.1 | Confident | 193 Ų | 193 | 43 Ų | 43 | 84% | 0.839 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -35.9 | -179.5 | -67.4 | -174.4 | 178.3 | 179 | 0 | 113.4 | L601 | L601-K603 VanDerWaalsContact C-N 3.26Å; L601-K603 PolarHBondContact O-N 3.36Å; L601-K603 VanDerWaalsContact O-N 3.1Å |
| 604 | V | 76.8 | Confident | 78.1 | Confident | 81 Ų | 81 | 43.8 Ų | 43.8 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -39.9 | -175.9 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | I589 L592 L601 | I589-V604 HydrophobicContact CG1-CG1 4.49Å; L592-V604 HydrophobicContact CD1-CB 4.26Å; L592-V604 HydrophobicContact CD1-CG1 3.73Å; L592-V604 HydrophobicContact CD1-CG2 4.27Å; L601-V604 PolarHBondContact O-N 3.14Å; L601-V604 VanDerWaalsContact O-N 3.09Å |
| 605 | A | 76.2 | Confident | 78.5 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -110 | 36.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I589 L601 L607 L608 I609 | I589-A605 HydrophobicContact CD1-CB 3.51Å; I589-A605 HydrophobicContact CG1-CB 3.99Å; I589-A605 HydrophobicContact CG2-CB 4.44Å; L601-A605 HydrophobicContact CB-CB 4.19Å; L601-A605 WeakPolarHBondContact O-CB 3.35Å; L601-A605 PolarHBondContact O-N 2.85Å; A605-L607 PolarHBondContact O-N 3.36Å; A605-L608 HydrophobicContact CB-CB 4.37Å; A605-L608 PolarHBondContact O-N 3.3Å; A605-I609 HydrophobicContact CB-CD1 4.21Å; A605-I609 WeakPolarHBondContact O-CG1 3.42Å; A605-I609 PolarHBondContact O-N 2.65Å |
| 606 | S | 79.4 | Confident | 78.9 | Confident | 43 Ų | 43 | 36.2 Ų | 36.2 | 30% | 0.301 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.7 | -43.3 | -170.5 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | N602 I609 K610 | N602-S606 WeakPolarHBondContact O-CA 3.43Å; N602-S606 WeakPolarHBondContact O-CB 3.32Å; N602-S606 PolarHBondContact O-N 3.37Å; S606-I609 PolarHBondContact O-N 3.39Å; S606-K610 VanDerWaalsContact O-CG 3.27Å; S606-K610 WeakPolarHBondContact O-CG 3.49Å; S606-K610 PolarHBondContact O-N 2.9Å |
| 607 | L | 75.6 | Confident | 79.3 | Confident | 73 Ų | 73 | 32.3 Ų | 32.3 | 38% | 0.382 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 177.6 | -78.6 | 158.5 | 0 | 0 | 0 | 112.3 | L584 A605 I609 K610 A611 | L584-L607 HydrophobicContact CD2-CB 4.45Å; A605-L607 PolarHBondContact O-N 3.36Å; L607-I609 VanDerWaalsContact C-N 3.33Å; L607-I609 PolarHBondContact O-N 2.89Å; L607-K610 PolarHBondContact O-N 3.29Å; L607-A611 PolarHBondContact O-N 3.4Å; L607-A611 VanDerWaalsContact O-N 3.07Å |
| 608 | L | 82.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 177.3 | 180 | 63.7 | 0 | 0 | 0 | 110.5 | L531 Y543 F567 L584 F585 I589 L598 A605 A611 V612 | L531-L608 HydrophobicContact CD1-CD2 4.48Å; Y543-L608 HydrophobicContact CE2-CD2 4.48Å; F567-L608 HydrophobicContact CZ-CD1 4.3Å; L584-L608 HydrophobicContact CD2-CB 4.44Å; L584-L608 HydrophobicContact CD2-CD1 4.41Å; F585-L608 HydrophobicContact CE1-CD1 4.21Å; F585-L608 HydrophobicContact CZ-CD1 4.12Å; I589-L608 HydrophobicContact CG2-CD2 4.31Å; L598-L608 HydrophobicContact CD1-CD2 3.95Å; A605-L608 HydrophobicContact CB-CB 4.37Å; A605-L608 PolarHBondContact O-N 3.3Å; L608-A611 PolarHBondContact O-N 2.85Å; L608-V612 HydrophobicContact CD1-CG2 4.45Å; L608-V612 HydrophobicContact CG-CG2 4.41Å; L608-V612 WeakPolarHBondContact O-CG2 3.48Å; L608-V612 PolarHBondContact O-N 3.26Å |
| 609 | I | 82.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | -178.7 | -70.7 | 163.1 | 0 | 0 | 0 | 111.7 | L598 N602 A605 S606 L607 V612 V613 L645 T650 | L598-I609 HydrophobicContact CD1-CD1 4.32Å; L598-I609 HydrophobicContact CD1-CG1 3.94Å; L598-I609 HydrophobicContact CD2-CG1 4.33Å; L598-I609 HydrophobicContact CG-CD1 4.37Å; L598-I609 HydrophobicContact CG-CG1 3.93Å; L598-I609 WeakPolarHBondContact O-CD1 3.17Å; N602-I609 HydrophobicContact CB-CD1 4.2Å; A605-I609 HydrophobicContact CB-CD1 4.21Å; A605-I609 WeakPolarHBondContact O-CG1 3.42Å; A605-I609 PolarHBondContact O-N 2.65Å; S606-I609 PolarHBondContact O-N 3.39Å; L607-I609 VanDerWaalsContact C-N 3.33Å; L607-I609 PolarHBondContact O-N 2.89Å; I609-V612 PolarHBondContact O-N 3.22Å; I609-V613 HydrophobicContact CG2-CG2 4.27Å; I609-V613 WeakPolarHBondContact O-CB 3.4Å; I609-V613 VanDerWaalsContact O-CG2 3.24Å; I609-V613 WeakPolarHBondContact O-CG2 3.31Å; I609-V613 PolarHBondContact O-N 3.48Å; I609-L645 HydrophobicContact CG2-CD2 4.49Å; I609-T650 HydrophobicContact CG2-CG2 3.72Å |
| 610 | K | 80.8 | Confident | 79.7 | Confident | 63 Ų | 63 | 30.7 Ų | 30.7 | 27% | 0.274 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 173.7 | -69.7 | -175.8 | 179.5 | -177.2 | 0 | 111.9 | S606 L607 V613 R614 D649 T650 D653 | S606-K610 VanDerWaalsContact O-CG 3.27Å; S606-K610 WeakPolarHBondContact O-CG 3.49Å; S606-K610 PolarHBondContact O-N 2.9Å; L607-K610 PolarHBondContact O-N 3.29Å; K610-V613 PolarHBondContact O-N 2.81Å; K610-R614 WeakPolarHBondContact O-CG 3.38Å; K610-R614 PolarHBondContact O-N 3.29Å; K610-D649 VanDerWaalsContact CE-O 3.22Å; K610-D649 WeakPolarHBondContact CE-O 3.23Å; K610-T650 HydrophobicContact CG-CG2 4.29Å; K610-D653 VanDerWaalsContact CB-OD2 3.27Å; K610-D653 WeakPolarHBondContact CB-OD2 3.45Å; K610-D653 WeakPolarHBondContact CD-OD2 3.1Å; K610-D653 WeakPolarHBondContact CG-OD2 3.41Å |
| 611 | A | 77.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | F567 L584 L607 L608 L615 | F567-A611 HydrophobicContact CD2-CB 4.02Å; F567-A611 HydrophobicContact CE2-CB 3.83Å; F567-A611 HydrophobicContact CG-CB 4.48Å; F567-A611 HydrophobicContact CZ-CB 4.12Å; F567-A611 WeakPolarHBondContact O-CB 3.49Å; L584-A611 HydrophobicContact CD2-CB 4.41Å; L607-A611 PolarHBondContact O-N 3.4Å; L607-A611 VanDerWaalsContact O-N 3.07Å; L608-A611 PolarHBondContact O-N 2.85Å; A611-L615 PolarHBondContact O-N 3.49Å; A611-L615 VanDerWaalsContact O-N 3.14Å |
| 612 | V | 83.2 | Confident | 79.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 174 | 173.1 | 0 | 0 | 0 | 0 | 111 | V528 F567 L598 L608 I609 R614 L615 L616 L645 | V528-V612 HydrophobicContact CG1-CB 3.74Å; V528-V612 HydrophobicContact CG1-CG1 3.44Å; V528-V612 VanDerWaalsContact CG1-CG1 3.44Å; V528-V612 HydrophobicContact CG1-CG2 3.27Å; F567-V612 HydrophobicContact CE2-CG2 4.34Å; L598-V612 HydrophobicContact CD2-CG1 4.49Å; L598-V612 HydrophobicContact CD2-CG2 4.03Å; L608-V612 HydrophobicContact CD1-CG2 4.45Å; L608-V612 HydrophobicContact CG-CG2 4.41Å; L608-V612 WeakPolarHBondContact O-CG2 3.48Å; L608-V612 PolarHBondContact O-N 3.26Å; I609-V612 PolarHBondContact O-N 3.22Å; V612-R614 PolarHBondContact O-N 3.45Å; V612-L615 PolarHBondContact O-N 2.87Å; V612-L616 HydrophobicContact CG1-CD1 3.55Å; V612-L616 HydrophobicContact CG1-CG 4.07Å; V612-L616 VanDerWaalsContact O-CG 3.3Å; V612-L616 WeakPolarHBondContact O-CG 3.48Å; V612-L616 PolarHBondContact O-N 3.38Å; V612-L645 HydrophobicContact CB-CD1 4.33Å; V612-L645 HydrophobicContact CG1-CD1 3.39Å |
| 613 | V | 83.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | -178 | 164.3 | 0 | 0 | 0 | 0 | 111 | I609 K610 L615 L616 F617 L645 T650 I654 | I609-V613 HydrophobicContact CG2-CG2 4.27Å; I609-V613 WeakPolarHBondContact O-CB 3.4Å; I609-V613 VanDerWaalsContact O-CG2 3.24Å; I609-V613 WeakPolarHBondContact O-CG2 3.31Å; I609-V613 PolarHBondContact O-N 3.48Å; K610-V613 PolarHBondContact O-N 2.81Å; V613-L615 VanDerWaalsContact C-N 3.34Å; V613-L615 PolarHBondContact O-N 3.24Å; V613-L616 PolarHBondContact O-N 3.3Å; V613-F617 HydrophobicContact CG1-CD2 3.66Å; V613-F617 HydrophobicContact CG1-CE2 3.83Å; V613-F617 VanDerWaalsContact O-CD2 3.24Å; V613-F617 WeakPolarHBondContact O-CD2 3.39Å; V613-F617 PolarHBondContact O-N 2.93Å; V613-L645 HydrophobicContact CG2-CB 3.69Å; V613-T650 HydrophobicContact CG2-CG2 4.3Å; V613-I654 HydrophobicContact CG1-CG1 4.29Å |
| 614 | R | 81.8 | Confident | 78.7 | Confident | 17 Ų | 17 | 24.6 Ų | 24.6 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -45.1 | 176.8 | -71.7 | -174.9 | -165.8 | 137.7 | 8 | 112.1 | S569 N570 K610 V612 S618 D653 | S569-R614 PolarHBondContact O-NH1 3.35Å; N570-R614 PolarHBondContact OD1-NH1 2.87Å; K610-R614 WeakPolarHBondContact O-CG 3.38Å; K610-R614 PolarHBondContact O-N 3.29Å; V612-R614 PolarHBondContact O-N 3.45Å; R614-S618 WeakPolarHBondContact O-CB 3.48Å; R614-S618 PolarHBondContact O-N 2.99Å; R614-D653 HydrophobicContact CG-CB 3.67Å; R614-D653 IonicContact CZ-OD1 3.72Å; R614-D653 IonicContact NE-OD1 2.82Å; R614-D653 PolarHBondContact NE-OD1 3.08Å; R614-D653 IonicContact NH2-OD1 2.63Å; R614-D653 PolarHBondContact NH2-OD1 3.38Å |
| 615 | L | 83.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 179.8 | -179.9 | 63.5 | 0 | 0 | 0 | 112 | L524 P525 V528 N563 F567 A611 V612 V613 S618 | L524-L615 HydrophobicContact CD2-CD2 4.1Å; L524-L615 HydrophobicContact CG-CD2 3.85Å; P525-L615 HydrophobicContact CB-CD2 4.45Å; P525-L615 HydrophobicContact CB-CG 4.46Å; P525-L615 HydrophobicContact CG-CD1 4.26Å; P525-L615 HydrophobicContact CG-CD2 4.28Å; P525-L615 HydrophobicContact CG-CG 4.21Å; V528-L615 HydrophobicContact CB-CD2 4.48Å; V528-L615 HydrophobicContact CG2-CD2 4.09Å; N563-L615 HydrophobicContact CB-CD1 3.86Å; N563-L615 WeakPolarHBondContact O-CD1 3.19Å; F567-L615 HydrophobicContact CB-CB 4.42Å; F567-L615 HydrophobicContact CB-CD1 4.5Å; F567-L615 HydrophobicContact CB-CD2 4.26Å; F567-L615 HydrophobicContact CD2-CB 4.11Å; F567-L615 HydrophobicContact CD2-CD2 3.85Å; F567-L615 HydrophobicContact CG-CD2 4.39Å; A611-L615 PolarHBondContact O-N 3.49Å; A611-L615 VanDerWaalsContact O-N 3.14Å; V612-L615 PolarHBondContact O-N 2.87Å; V613-L615 VanDerWaalsContact C-N 3.34Å; V613-L615 PolarHBondContact O-N 3.24Å; L615-S618 PolarHBondContact O-N 3.32Å; L615-S618 PolarHBondContact O-OG 3.05Å |
| 616 | L | 85.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | -176.6 | -67.6 | 177.7 | 0 | 0 | 0 | 112.2 | P525 V612 V613 S618 Q619 C638 V641 L645 | P525-L616 HydrophobicContact CB-CD2 4.38Å; V612-L616 HydrophobicContact CG1-CD1 3.55Å; V612-L616 HydrophobicContact CG1-CG 4.07Å; V612-L616 VanDerWaalsContact O-CG 3.3Å; V612-L616 WeakPolarHBondContact O-CG 3.48Å; V612-L616 PolarHBondContact O-N 3.38Å; V613-L616 PolarHBondContact O-N 3.3Å; L616-S618 VanDerWaalsContact C-N 3.29Å; L616-S618 PolarHBondContact O-N 3.25Å; L616-Q619 PolarHBondContact O-N 3.39Å; L616-C638 HydrophobicContact CD2-CB 3.98Å; L616-V641 HydrophobicContact CD1-CB 4.24Å; L616-V641 HydrophobicContact CD1-CG1 3.83Å; L616-L645 HydrophobicContact CD1-CD1 4.07Å |
| 617 | F | 84.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.4 | -8.7 | 178.8 | -72 | -65.3 | 0 | 0 | 0 | 114.6 | V613 Q619 W639 G642 L643 L646 I654 I657 G668 | V613-F617 HydrophobicContact CG1-CD2 3.66Å; V613-F617 HydrophobicContact CG1-CE2 3.83Å; V613-F617 VanDerWaalsContact O-CD2 3.24Å; V613-F617 WeakPolarHBondContact O-CD2 3.39Å; V613-F617 PolarHBondContact O-N 2.93Å; F617-Q619 VanDerWaalsContact C-N 3.28Å; F617-W639 AromaticContact CD1-CD2 3.95Å; F617-W639 HydrophobicContact CD1-CD2 3.95Å; F617-W639 AromaticContact CD1-CE3 3.57Å; F617-W639 HydrophobicContact CD1-CE3 3.57Å; F617-W639 AromaticContact CD1-CH2 3.87Å; F617-W639 HydrophobicContact CD1-CH2 3.87Å; F617-W639 HydrophobicContact CD1-CZ2 4.22Å; F617-W639 AromaticContact CD1-CZ3 3.53Å; F617-W639 HydrophobicContact CD1-CZ3 3.53Å; F617-W639 HydrophobicContact CE1-CD2 4.23Å; F617-W639 AromaticContact CE1-CE3 3.58Å; F617-W639 HydrophobicContact CE1-CE3 3.58Å; F617-W639 AromaticContact CE1-CZ3 3.75Å; F617-W639 HydrophobicContact CE1-CZ3 3.75Å; F617-G642 WeakPolarHBondContact CE2-O 3.33Å; F617-G642 WeakPolarHBondContact CZ-O 3.33Å; F617-L643 HydrophobicContact CE1-CD2 3.83Å; F617-L643 HydrophobicContact CE1-CG 4.06Å; F617-L643 HydrophobicContact CZ-CD2 3.9Å; F617-L643 HydrophobicContact CZ-CG 4.15Å; F617-L646 HydrophobicContact CE1-CD1 4.47Å; F617-L646 HydrophobicContact CE2-CD1 4.14Å; F617-L646 HydrophobicContact CE2-CG 3.92Å; F617-L646 HydrophobicContact CZ-CD1 3.62Å; F617-L646 HydrophobicContact CZ-CG 3.88Å; F617-I654 HydrophobicContact CD2-CD1 3.73Å; F617-I654 HydrophobicContact CD2-CG1 3.86Å; F617-I654 HydrophobicContact CE1-CD1 4.42Å; F617-I654 HydrophobicContact CE2-CD1 3.62Å; F617-I654 HydrophobicContact CE2-CG1 4.2Å; F617-I654 HydrophobicContact CG-CD1 4.21Å; F617-I654 HydrophobicContact CG-CG1 4.35Å; F617-I654 HydrophobicContact CZ-CD1 3.96Å; F617-I657 HydrophobicContact CB-CD1 3.64Å; F617-G668 PolarHBondContact O-N 3.47Å; F617-G668 VanDerWaalsContact O-N 3.09Å |
| 618 | S | 79.7 | Confident | 74 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -14.5 | 171.8 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | R614 L615 L616 R667 | R614-S618 WeakPolarHBondContact O-CB 3.48Å; R614-S618 PolarHBondContact O-N 2.99Å; L615-S618 PolarHBondContact O-N 3.32Å; L615-S618 PolarHBondContact O-OG 3.05Å; L616-S618 VanDerWaalsContact C-N 3.29Å; L616-S618 PolarHBondContact O-N 3.25Å; S618-R667 WeakPolarHBondContact O-CD 3.45Å; S618-R667 PolarHBondContact O-NE 2.95Å; S618-R667 VanDerWaalsContact O-NE 3.15Å |
| 619 | Q | 82.7 | Confident | 72.5 | Confident | 21 Ų | 21 | 37 Ų | 37 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -70.6 | 129.9 | 176.4 | -58.8 | -52.7 | -43.8 | 0 | 0 | 110.4 | N563 L616 F617 L621 F634 C638 W639 | N563-Q619 PolarHBondContact OD1-NE2 3.16Å; L616-Q619 PolarHBondContact O-N 3.39Å; F617-Q619 VanDerWaalsContact C-N 3.28Å; Q619-L621 PolarHBondContact O-N 2.88Å; Q619-F634 HydrophobicContact CG-CE1 4.3Å; Q619-C638 HydrophobicContact CG-CB 4.28Å; Q619-W639 PolarHBondContact O-NE1 3.5Å |
| 620 | T | 77.4 | Confident | 71.1 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | trans | -63.9 | 127.8 | 179.1 | 8.1 | 0 | 0 | 0 | 0 | 111.1 | S635 F665 R667 | T620-S635 WeakPolarHBondContact O-CB 3.32Å; T620-S635 PolarHBondContact O-OG 3.24Å; T620-F665 HydrophobicContact CG2-CB 3.9Å; T620-F665 HydrophobicContact CG2-CD1 4.21Å; T620-F665 HydrophobicContact CG2-CG 4.47Å; T620-R667 HydrophobicContact CG2-CG 3.96Å; T620-R667 PolarHBondContact OG1-NH2 2.94Å | ||
| 621 | L | 76.2 | Confident | 69.8 | Low | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.9 | 169 | -163.4 | 137.1 | 0 | 0 | 0 | 109 | Q619 L623 W639 V666 L675 F683 L686 | Q619-L621 PolarHBondContact O-N 2.88Å; L621-L623 HydrophobicContact CD2-CD2 3.38Å; L621-L623 HydrophobicContact CD2-CG 3.74Å; L621-W639 HydrophobicContact CB-CZ2 4.4Å; L621-W639 HydrophobicContact CD1-CB 4.1Å; L621-W639 HydrophobicContact CD1-CD2 3.86Å; L621-W639 HydrophobicContact CD1-CG 3.62Å; L621-V666 PolarHBondContact N-O 3.45Å; L621-V666 PolarHBondContact O-N 2.99Å; L621-L675 HydrophobicContact CD2-CD2 4.31Å; L621-F683 HydrophobicContact CD2-CD1 4.37Å; L621-F683 HydrophobicContact CD2-CE1 3.93Å; L621-F683 HydrophobicContact CD2-CZ 4.16Å; L621-F683 HydrophobicContact CG-CE1 4.39Å; L621-L686 HydrophobicContact CD1-CD1 3.89Å |
| 622 | N | 75.4 | Confident | 69.1 | Low | 47 Ų | 47 | 46.7 Ų | 46.7 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.9 | 177.5 | -177.5 | 3.9 | 0 | 0 | 0 | 109.5 | S624 E664 F665 F683 | N622-S624 PolarHBondContact OD1-N 2.96Å; N622-S624 VanDerWaalsContact OD1-N 3.09Å; N622-S624 PolarHBondContact OD1-OG 3.4Å; N622-E664 WeakPolarHBondContact CA-O 3.38Å; N622-E664 PolarHBondContact OD1-O 3.49Å; N622-F665 HydrophobicContact CB-CD1 4.08Å; N622-F665 HydrophobicContact CB-CE1 3.9Å; N622-F683 VanDerWaalsContact O-CZ 3.3Å; N622-F683 WeakPolarHBondContact O-CZ 3.44Å |
| 623 | L | 69.8 | Low | 68.5 | Low | 28 Ų | 28 | 52.9 Ų | 52.9 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | trans | -91.6 | -9.8 | -177.6 | -69.9 | 167 | 0 | 0 | 0 | 113.8 | L621 E664 V666 N674 L675 F683 | L621-L623 HydrophobicContact CD2-CD2 3.38Å; L621-L623 HydrophobicContact CD2-CG 3.74Å; L623-E664 PolarHBondContact N-O 3.19Å; L623-V666 HydrophobicContact CD1-CG2 3.47Å; L623-V666 VanDerWaalsContact CD1-CG2 3.47Å; L623-V666 HydrophobicContact CG-CG2 4.3Å; L623-N674 HydrophobicContact CD1-CB 3.78Å; L623-L675 HydrophobicContact CD2-CD2 4.46Å; L623-F683 HydrophobicContact CD2-CD2 3.96Å; L623-F683 HydrophobicContact CD2-CE2 3.91Å; L623-F683 HydrophobicContact CD2-CG 4.5Å; L623-F683 HydrophobicContact CD2-CZ 4.39Å | ||
| 624 | S | 59.6 | Low | 68.1 | Low | 71 Ų | 71 | 54.6 Ų | 54.6 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -89 | -22.2 | -165.7 | 67.6 | 0 | 0 | 0 | 0 | 116 | N622 | N622-S624 PolarHBondContact OD1-N 2.96Å; N622-S624 VanDerWaalsContact OD1-N 3.09Å; N622-S624 PolarHBondContact OD1-OG 3.4Å |
| 625 | T | 56.1 | Low | 67.8 | Low | 60 Ų | 60 | 54.3 Ų | 54.3 | 37% | 0.368 | 32% | 0.316 | S | S | . | . | trans | -95 | 122 | -173.2 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | E627 | T625-E627 PolarHBondContact O-N 3.16Š| ||
| 626 | S | 53.1 | Low | 67.5 | Low | 91 Ų | 91 | 56.4 Ų | 56.4 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -75.2 | -3.9 | 172 | 71.5 | 0 | 0 | 0 | 0 | 113.9 | H682 | S626-H682 PolarHBondContact O-NE2 3.2Š|
| 627 | E | 50.5 | Low | 67.2 | Low | 161 Ų | 161 | 57.2 Ų | 57.2 | 75% | 0.752 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -107.2 | 135.1 | 176.8 | -70.5 | -176.8 | 173 | 0 | 0 | 110.5 | T625 C629 | T625-E627 PolarHBondContact O-N 3.16Å; E627-C629 VanDerWaalsContact C-N 3.31Å; E627-C629 PolarHBondContact O-N 3.27Å |
| 628 | A | 49.4 | Very low | 67 | Low | 78 Ų | 78 | 57.2 Ų | 57.2 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | trans | -69.5 | 82.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S630 | A628-S630 PolarHBondContact O-N 3.45Š| ||
| 629 | C | 50 | Low | 67.3 | Low | 73 Ų | 73 | 56.6 Ų | 56.6 | 49% | 0.493 | 33% | 0.327 | S | S | . | . | trans | -62.2 | 136 | 170.8 | -147.4 | 0 | 0 | 0 | 0 | 108.9 | E627 E631 S632 | E627-C629 VanDerWaalsContact C-N 3.31Å; E627-C629 PolarHBondContact O-N 3.27Å; C629-E631 PolarHBondContact O-N 3.24Å; C629-E631 VanDerWaalsContact O-N 3.14Å; C629-S632 WeakPolarHBondContact O-CA 3.26Å; C629-S632 WeakPolarHBondContact O-CB 3.46Å; C629-S632 PolarHBondContact O-N 3.22Å; C629-S632 PolarHBondContact O-OG 3.23Å | ||
| 630 | S | 53.3 | Low | 67.2 | Low | 97 Ų | 97 | 56.9 Ų | 56.9 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.2 | -31.5 | -177.1 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | A628 S632 K633 | A628-S630 PolarHBondContact O-N 3.45Å; S630-S632 PolarHBondContact O-N 2.77Å; S630-K633 PolarHBondContact O-N 2.89Å |
| 631 | E | 52.3 | Low | 67.4 | Low | 139 Ų | 139 | 54.6 Ų | 54.6 | 65% | 0.65 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62 | -22.2 | 173.1 | -65 | -168.8 | 154.8 | 0 | 0 | 113.2 | C629 | C629-E631 PolarHBondContact O-N 3.24Å; C629-E631 VanDerWaalsContact O-N 3.14Å |
| 632 | S | 64.4 | Low | 67.7 | Low | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -33.3 | 177.9 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | C629 S630 F634 S635 I636 | C629-S632 WeakPolarHBondContact O-CA 3.26Å; C629-S632 WeakPolarHBondContact O-CB 3.46Å; C629-S632 PolarHBondContact O-N 3.22Å; C629-S632 PolarHBondContact O-OG 3.23Å; S630-S632 PolarHBondContact O-N 2.77Å; S632-F634 VanDerWaalsContact C-N 3.31Å; S632-F634 PolarHBondContact O-N 3.19Å; S632-S635 PolarHBondContact O-N 2.88Å; S632-I636 VanDerWaalsContact O-CB 3.3Å; S632-I636 WeakPolarHBondContact O-CB 3.27Å; S632-I636 WeakPolarHBondContact O-CD1 3.31Å; S632-I636 WeakPolarHBondContact O-CG1 3.03Å; S632-I636 PolarHBondContact O-N 3.04Å |
| 633 | K | 70.7 | Confident | 68 | Low | 131 Ų | 131 | 52.1 Ų | 52.1 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | -178.3 | -72.5 | -168.4 | 177.4 | -168.9 | 0 | 111.6 | S630 L637 | S630-K633 PolarHBondContact O-N 2.89Å; K633-L637 VanDerWaalsContact O-CB 3.24Å; K633-L637 WeakPolarHBondContact O-CB 3.12Å; K633-L637 PolarHBondContact O-N 2.78Å |
| 634 | F | 74 | Confident | 68.5 | Low | 35 Ų | 35 | 53.9 Ų | 53.9 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -52.4 | 175.5 | 171.9 | -95 | 0 | 0 | 0 | 112.3 | L441 K522 P525 L526 Q619 S632 L637 C638 | L441-F634 HydrophobicContact CD1-CB 4.37Å; K522-F634 WeakPolarHBondContact O-CE2 3.31Å; K522-F634 WeakPolarHBondContact O-CZ 3.41Å; P525-F634 HydrophobicContact CB-CZ 4.04Å; P525-F634 HydrophobicContact CG-CZ 4.09Å; L526-F634 HydrophobicContact CD1-CD2 3.58Å; L526-F634 HydrophobicContact CD1-CE2 3.6Å; L526-F634 HydrophobicContact CD2-CD2 4.24Å; L526-F634 HydrophobicContact CD2-CE2 4.44Å; L526-F634 HydrophobicContact CG-CD2 3.75Å; L526-F634 HydrophobicContact CG-CE2 3.55Å; Q619-F634 HydrophobicContact CG-CE1 4.3Å; S632-F634 VanDerWaalsContact C-N 3.31Å; S632-F634 PolarHBondContact O-N 3.19Å; F634-L637 PolarHBondContact O-N 3.48Å; F634-C638 PolarHBondContact O-N 3.12Å; F634-C638 VanDerWaalsContact O-N 3.08Å; F634-C638 PolarHBondContact O-SG 3.09Å |
| 635 | S | 76.7 | Confident | 69.5 | Low | 11 Ų | 11 | 50.6 Ų | 50.6 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.9 | -43 | -177 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | T620 S632 L637 C638 W639 | T620-S635 WeakPolarHBondContact O-CB 3.32Å; T620-S635 PolarHBondContact O-OG 3.24Å; S632-S635 PolarHBondContact O-N 2.88Å; S635-L637 VanDerWaalsContact C-N 3.31Å; S635-L637 PolarHBondContact O-N 3.43Å; S635-C638 PolarHBondContact O-N 3.25Å; S635-W639 VanDerWaalsContact O-CD1 3.25Å; S635-W639 PolarHBondContact O-N 3.33Å |
| 636 | I | 76.4 | Confident | 70.5 | Confident | 44 Ų | 44 | 48 Ų | 48 | 23% | 0.226 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.1 | -44 | 176.2 | -68.9 | 165.4 | 0 | 0 | 0 | 110.6 | S632 W639 K640 F683 L686 | S632-I636 VanDerWaalsContact O-CB 3.3Å; S632-I636 WeakPolarHBondContact O-CB 3.27Å; S632-I636 WeakPolarHBondContact O-CD1 3.31Å; S632-I636 WeakPolarHBondContact O-CG1 3.03Å; S632-I636 PolarHBondContact O-N 3.04Å; I636-W639 PolarHBondContact O-N 3.28Å; I636-K640 VanDerWaalsContact O-CB 3.31Å; I636-K640 WeakPolarHBondContact O-CB 3.13Å; I636-K640 PolarHBondContact O-N 3.49Å; I636-F683 HydrophobicContact CD1-CE1 4.1Å; I636-F683 HydrophobicContact CG1-CE1 4.09Å; I636-L686 HydrophobicContact CG1-CD1 4.48Å; I636-L686 HydrophobicContact CG2-CD1 4.14Å |
| 637 | L | 78.5 | Confident | 71.7 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.7 | 179.8 | 66.8 | 0 | 0 | 0 | 111.8 | L441 F444 F449 L526 K633 F634 S635 W639 K640 V641 | L441-L637 HydrophobicContact CD2-CD2 3.68Å; F444-L637 HydrophobicContact CB-CD1 4.24Å; F444-L637 HydrophobicContact CB-CD2 3.85Å; F444-L637 HydrophobicContact CD1-CD1 4.4Å; F444-L637 HydrophobicContact CD1-CD2 4.45Å; F444-L637 HydrophobicContact CD2-CD2 3.57Å; F444-L637 HydrophobicContact CE2-CD2 4.17Å; F444-L637 HydrophobicContact CG-CD1 4.27Å; F444-L637 HydrophobicContact CG-CD2 3.71Å; F449-L637 HydrophobicContact CD2-CD1 3.92Å; F449-L637 HydrophobicContact CE1-CD1 4.31Å; F449-L637 HydrophobicContact CE2-CD1 3.21Å; F449-L637 HydrophobicContact CZ-CD1 3.45Å; F449-L637 VanDerWaalsContact CZ-CD1 3.45Å; L526-L637 HydrophobicContact CD2-CD2 3.63Å; K633-L637 VanDerWaalsContact O-CB 3.24Å; K633-L637 WeakPolarHBondContact O-CB 3.12Å; K633-L637 PolarHBondContact O-N 2.78Å; F634-L637 PolarHBondContact O-N 3.48Å; S635-L637 VanDerWaalsContact C-N 3.31Å; S635-L637 PolarHBondContact O-N 3.43Å; L637-W639 VanDerWaalsContact C-N 3.34Å; L637-W639 PolarHBondContact O-N 3.02Å; L637-K640 PolarHBondContact O-N 2.89Å; L637-V641 HydrophobicContact CD1-CG2 4.42Å; L637-V641 WeakPolarHBondContact O-CG2 3.4Å; L637-V641 PolarHBondContact O-N 3.14Å |
| 638 | C | 81.8 | Confident | 72.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.8 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | L616 Q619 F634 S635 G642 | L616-C638 HydrophobicContact CD2-CB 3.98Å; Q619-C638 HydrophobicContact CG-CB 4.28Å; F634-C638 PolarHBondContact O-N 3.12Å; F634-C638 VanDerWaalsContact O-N 3.08Å; F634-C638 PolarHBondContact O-SG 3.09Å; S635-C638 PolarHBondContact O-N 3.25Å; C638-G642 PolarHBondContact O-N 2.72Å |
| 639 | W | 85.5 | Confident | 74 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 175.1 | -81.9 | 77.3 | 0 | 0 | 0 | 112 | F617 Q619 L621 S635 I636 L637 V641 G642 L643 L675 L686 | F617-W639 AromaticContact CD1-CD2 3.95Å; F617-W639 HydrophobicContact CD1-CD2 3.95Å; F617-W639 AromaticContact CD1-CE3 3.57Å; F617-W639 HydrophobicContact CD1-CE3 3.57Å; F617-W639 AromaticContact CD1-CH2 3.87Å; F617-W639 HydrophobicContact CD1-CH2 3.87Å; F617-W639 HydrophobicContact CD1-CZ2 4.22Å; F617-W639 AromaticContact CD1-CZ3 3.53Å; F617-W639 HydrophobicContact CD1-CZ3 3.53Å; F617-W639 HydrophobicContact CE1-CD2 4.23Å; F617-W639 AromaticContact CE1-CE3 3.58Å; F617-W639 HydrophobicContact CE1-CE3 3.58Å; F617-W639 AromaticContact CE1-CZ3 3.75Å; F617-W639 HydrophobicContact CE1-CZ3 3.75Å; Q619-W639 PolarHBondContact O-NE1 3.5Å; L621-W639 HydrophobicContact CB-CZ2 4.4Å; L621-W639 HydrophobicContact CD1-CB 4.1Å; L621-W639 HydrophobicContact CD1-CD2 3.86Å; L621-W639 HydrophobicContact CD1-CG 3.62Å; S635-W639 VanDerWaalsContact O-CD1 3.25Å; S635-W639 PolarHBondContact O-N 3.33Å; I636-W639 PolarHBondContact O-N 3.28Å; L637-W639 VanDerWaalsContact C-N 3.34Å; L637-W639 PolarHBondContact O-N 3.02Å; W639-V641 PolarHBondContact O-N 3.03Å; W639-G642 PolarHBondContact O-N 2.94Å; W639-L643 WeakPolarHBondContact O-CB 3.22Å; W639-L643 WeakPolarHBondContact O-CG 3.22Å; W639-L643 PolarHBondContact O-N 2.87Å; W639-L675 HydrophobicContact CD2-CD1 4.31Å; W639-L675 HydrophobicContact CE3-CD1 3.41Å; W639-L675 VanDerWaalsContact CE3-CD1 3.41Å; W639-L675 HydrophobicContact CZ3-CD1 3.53Å; W639-L686 HydrophobicContact CB-CD1 4.3Å; W639-L686 HydrophobicContact CB-CD2 4.04Å |
| 640 | K | 80.9 | Confident | 75.2 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 177.6 | -161.9 | 168.7 | -169.2 | 173.1 | 0 | 111.4 | F449 I636 L637 R644 D685 L686 I689 | F449-K640 HydrophobicContact CB-CD 3.92Å; F449-K640 HydrophobicContact CD1-CD 4.19Å; F449-K640 HydrophobicContact CD1-CG 4.37Å; F449-K640 HydrophobicContact CG-CD 4.08Å; I636-K640 VanDerWaalsContact O-CB 3.31Å; I636-K640 WeakPolarHBondContact O-CB 3.13Å; I636-K640 PolarHBondContact O-N 3.49Å; L637-K640 PolarHBondContact O-N 2.89Å; K640-R644 WeakPolarHBondContact O-CG 3.44Å; K640-R644 PolarHBondContact O-N 2.96Å; K640-D685 IonicContact NZ-OD2 3.45Å; K640-D685 PolarHBondContact NZ-OD2 2.95Å; K640-L686 HydrophobicContact CB-CD2 3.96Å; K640-L686 HydrophobicContact CG-CD2 4.47Å; K640-I689 HydrophobicContact CD-CD1 4.31Å; K640-I689 HydrophobicContact CG-CD1 3.69Å |
| 641 | V | 81 | Confident | 76.3 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.4 | -44 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | F449 A529 S532 L616 L637 W639 L643 R644 L645 | F449-V641 HydrophobicContact CE1-CG2 3.82Å; F449-V641 HydrophobicContact CZ-CG2 3.91Å; A529-V641 HydrophobicContact CB-CG1 4.34Å; A529-V641 HydrophobicContact CB-CG2 4.33Å; S532-V641 WeakPolarHBondContact OG-CG1 3.48Å; L616-V641 HydrophobicContact CD1-CB 4.24Å; L616-V641 HydrophobicContact CD1-CG1 3.83Å; L637-V641 HydrophobicContact CD1-CG2 4.42Å; L637-V641 WeakPolarHBondContact O-CG2 3.4Å; L637-V641 PolarHBondContact O-N 3.14Å; W639-V641 PolarHBondContact O-N 3.03Å; V641-L643 PolarHBondContact O-N 3.14Å; V641-R644 WeakPolarHBondContact O-CB 3.27Å; V641-R644 PolarHBondContact O-N 3.46Å; V641-L645 HydrophobicContact CG1-CD1 4.27Å; V641-L645 PolarHBondContact O-N 2.97Å |
| 642 | G | 82.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F617 C638 W639 R644 L645 L646 | F617-G642 WeakPolarHBondContact CE2-O 3.33Å; F617-G642 WeakPolarHBondContact CZ-O 3.33Å; C638-G642 PolarHBondContact O-N 2.72Å; W639-G642 PolarHBondContact O-N 2.94Å; G642-R644 PolarHBondContact O-N 3.45Å; G642-L645 PolarHBondContact O-N 3.41Å; G642-L646 PolarHBondContact O-N 2.81Å; G642-L646 VanDerWaalsContact O-N 3.17Å |
| 643 | L | 81.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -26.2 | 175.5 | -68 | 170.7 | 0 | 0 | 0 | 112.7 | F617 W639 V641 L645 L646 F672 L686 I689 C690 R693 | F617-L643 HydrophobicContact CE1-CD2 3.83Å; F617-L643 HydrophobicContact CE1-CG 4.06Å; F617-L643 HydrophobicContact CZ-CD2 3.9Å; F617-L643 HydrophobicContact CZ-CG 4.15Å; W639-L643 WeakPolarHBondContact O-CB 3.22Å; W639-L643 WeakPolarHBondContact O-CG 3.22Å; W639-L643 PolarHBondContact O-N 2.87Å; V641-L643 PolarHBondContact O-N 3.14Å; L643-L645 VanDerWaalsContact C-N 3.34Å; L643-L646 HydrophobicContact CD2-CD1 3.69Å; L643-F672 HydrophobicContact CD2-CD2 4.04Å; L643-F672 HydrophobicContact CD2-CE2 4.11Å; L643-L686 HydrophobicContact CD1-CB 4.36Å; L643-L686 HydrophobicContact CD1-CD2 3.66Å; L643-I689 HydrophobicContact CB-CG2 3.64Å; L643-I689 HydrophobicContact CD1-CB 4.36Å; L643-I689 HydrophobicContact CD1-CG2 4.14Å; L643-C690 WeakPolarHBondContact CD1-SG 3.16Å; L643-C690 WeakPolarHBondContact CD2-SG 3.43Å; L643-R693 WeakPolarHBondContact O-CG 3.4Å |
| 644 | R | 79.6 | Confident | 78.2 | Confident | 64 Ų | 64 | 21.7 Ų | 21.7 | 24% | 0.242 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -75.6 | -22.9 | 173.6 | -75.4 | -179.4 | 176 | -176.5 | -0.2 | 113.4 | F449 K640 V641 G642 R693 | F449-R644 VanDerWaalsContact CD1-NH1 3.27Å; K640-R644 WeakPolarHBondContact O-CG 3.44Å; K640-R644 PolarHBondContact O-N 2.96Å; V641-R644 WeakPolarHBondContact O-CB 3.27Å; V641-R644 PolarHBondContact O-N 3.46Å; G642-R644 PolarHBondContact O-N 3.45Å; R644-R693 PolarHBondContact O-NH1 3.46Å; R644-R693 PolarHBondContact O-NH2 3.48Å; R644-R693 VanDerWaalsContact O-NH2 3.11Å |
| 645 | L | 80.4 | Confident | 78.1 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -90.5 | -12.5 | 177.1 | -66.3 | 169.2 | 0 | 0 | 0 | 113.1 | L598 I609 V612 V613 L616 V641 G642 L643 N647 T650 | L598-L645 HydrophobicContact CD2-CD1 4.39Å; L598-L645 HydrophobicContact CD2-CD2 4.24Å; L598-L645 HydrophobicContact CG-CD2 4.28Å; I609-L645 HydrophobicContact CG2-CD2 4.49Å; V612-L645 HydrophobicContact CB-CD1 4.33Å; V612-L645 HydrophobicContact CG1-CD1 3.39Å; V613-L645 HydrophobicContact CG2-CB 3.69Å; L616-L645 HydrophobicContact CD1-CD1 4.07Å; V641-L645 HydrophobicContact CG1-CD1 4.27Å; V641-L645 PolarHBondContact O-N 2.97Å; G642-L645 PolarHBondContact O-N 3.41Å; L643-L645 VanDerWaalsContact C-N 3.34Å; L645-N647 PolarHBondContact O-N 2.69Å; L645-N647 VanDerWaalsContact O-N 3.13Å; L645-T650 PolarHBondContact O-OG1 3.47Å |
| 646 | L | 77.4 | Confident | 77.7 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | trans | -61.5 | 109.5 | 177.3 | -106.2 | 174.8 | 0 | 0 | 0 | 111.9 | F617 G642 L643 V651 I654 F672 | F617-L646 HydrophobicContact CE1-CD1 4.47Å; F617-L646 HydrophobicContact CE2-CD1 4.14Å; F617-L646 HydrophobicContact CE2-CG 3.92Å; F617-L646 HydrophobicContact CZ-CD1 3.62Å; F617-L646 HydrophobicContact CZ-CG 3.88Å; G642-L646 PolarHBondContact O-N 2.81Å; G642-L646 VanDerWaalsContact O-N 3.17Å; L643-L646 HydrophobicContact CD2-CD1 3.69Å; L646-V651 HydrophobicContact CD2-CB 4.38Å; L646-V651 HydrophobicContact CD2-CG2 3.59Å; L646-I654 HydrophobicContact CD1-CD1 3.76Å; L646-I654 HydrophobicContact CD2-CD1 3.39Å; L646-I654 HydrophobicContact CD2-CG1 4.37Å; L646-I654 HydrophobicContact CG-CD1 3.77Å; L646-F672 HydrophobicContact CD1-CD2 4.25Å; L646-F672 HydrophobicContact CD1-CE2 3.97Å | ||
| 647 | N | 78.3 | Confident | 77.4 | Confident | 43 Ų | 43 | 26.1 Ų | 26.1 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | trans | -135.2 | 175.3 | 177 | -70 | -21.9 | 0 | 0 | 0 | 110.6 | N602 L645 D649 T650 V651 | N602-N647 WeakPolarHBondContact ND2-CB 3.41Å; N602-N647 PolarHBondContact ND2-ND2 3.44Å; L645-N647 PolarHBondContact O-N 2.69Å; L645-N647 VanDerWaalsContact O-N 3.13Å; N647-D649 VanDerWaalsContact C-N 3.26Å; N647-D649 PolarHBondContact O-N 2.86Å; N647-T650 PolarHBondContact N-OG1 2.97Å; N647-T650 PolarHBondContact O-N 3.5Å; N647-T650 VanDerWaalsContact O-N 3.09Å; N647-T650 PolarHBondContact O-OG1 3.34Å; N647-V651 WeakPolarHBondContact O-CG2 3.48Å; N647-V651 PolarHBondContact O-N 3.08Å | ||
| 648 | E | 76.5 | Confident | 76.9 | Confident | 87 Ų | 87 | 30.6 Ų | 30.6 | 41% | 0.407 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -38.7 | -178 | -62 | 170.3 | -138.6 | 0 | 0 | 114.2 | A697 S701 | E648-A697 HydrophobicContact CG-CB 3.79Å; E648-A697 WeakPolarHBondContact OE1-CB 3.3Å; E648-S701 WeakPolarHBondContact O-CB 3.41Å; E648-S701 PolarHBondContact O-OG 3.18Å |
| 649 | D | 73.3 | Confident | 76 | Confident | 89 Ų | 89 | 34.8 Ų | 34.8 | 48% | 0.476 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21.8 | -176.7 | -60.4 | -47.3 | 0 | 0 | 0 | 113.5 | K610 N647 | K610-D649 VanDerWaalsContact CE-O 3.22Å; K610-D649 WeakPolarHBondContact CE-O 3.23Å; N647-D649 VanDerWaalsContact C-N 3.26Å; N647-D649 PolarHBondContact O-N 2.86Å |
| 650 | T | 74 | Confident | 74.9 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -14.9 | -170.8 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | I609 K610 V613 L645 N647 G652 D653 | I609-T650 HydrophobicContact CG2-CG2 3.72Å; K610-T650 HydrophobicContact CG-CG2 4.29Å; V613-T650 HydrophobicContact CG2-CG2 4.3Å; L645-T650 PolarHBondContact O-OG1 3.47Å; N647-T650 PolarHBondContact N-OG1 2.97Å; N647-T650 PolarHBondContact O-N 3.5Å; N647-T650 VanDerWaalsContact O-N 3.09Å; N647-T650 PolarHBondContact O-OG1 3.34Å; T650-G652 VanDerWaalsContact C-N 3.27Å; T650-G652 PolarHBondContact O-N 3.22Å; T650-D653 VanDerWaalsContact O-CB 3.28Å; T650-D653 WeakPolarHBondContact O-CB 3.41Å; T650-D653 PolarHBondContact O-N 3.3Å |
| 651 | V | 76.3 | Confident | 73.9 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -34.6 | -175.6 | 176.5 | 0 | 0 | 0 | 0 | 112 | L646 N647 D653 I654 L698 L702 | L646-V651 HydrophobicContact CD2-CB 4.38Å; L646-V651 HydrophobicContact CD2-CG2 3.59Å; N647-V651 WeakPolarHBondContact O-CG2 3.48Å; N647-V651 PolarHBondContact O-N 3.08Å; V651-D653 PolarHBondContact O-N 2.76Å; V651-D653 VanDerWaalsContact O-N 3.15Å; V651-I654 PolarHBondContact O-N 2.98Å; V651-I654 VanDerWaalsContact O-N 3.16Å; V651-L698 HydrophobicContact CG2-CD1 3.48Å; V651-L698 VanDerWaalsContact CG2-CD1 3.48Å; V651-L698 HydrophobicContact CG2-CD2 4.11Å; V651-L698 HydrophobicContact CG2-CG 3.45Å; V651-L698 VanDerWaalsContact CG2-CG 3.45Å; V651-L702 HydrophobicContact CG1-CD2 3.31Å; V651-L702 HydrophobicContact CG1-CG 3.88Å |
| 652 | G | 73.1 | Confident | 72.8 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.4 | -29.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T650 I654 L655 F656 | T650-G652 VanDerWaalsContact C-N 3.27Å; T650-G652 PolarHBondContact O-N 3.22Å; G652-I654 VanDerWaalsContact C-N 3.34Å; G652-I654 PolarHBondContact O-N 3.46Å; G652-L655 WeakPolarHBondContact O-CB 3.36Å; G652-L655 PolarHBondContact O-N 3.21Å; G652-F656 WeakPolarHBondContact O-CD2 3.4Å |
| 653 | D | 76.5 | Confident | 71.8 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.6 | -27.4 | -178.2 | -62.7 | -44.3 | 0 | 0 | 0 | 113.8 | K610 R614 T650 V651 L655 F656 | K610-D653 VanDerWaalsContact CB-OD2 3.27Å; K610-D653 WeakPolarHBondContact CB-OD2 3.45Å; K610-D653 WeakPolarHBondContact CD-OD2 3.1Å; K610-D653 WeakPolarHBondContact CG-OD2 3.41Å; R614-D653 HydrophobicContact CG-CB 3.67Å; R614-D653 IonicContact CZ-OD1 3.72Å; R614-D653 IonicContact NE-OD1 2.82Å; R614-D653 PolarHBondContact NE-OD1 3.08Å; R614-D653 IonicContact NH2-OD1 2.63Å; R614-D653 PolarHBondContact NH2-OD1 3.38Å; T650-D653 VanDerWaalsContact O-CB 3.28Å; T650-D653 WeakPolarHBondContact O-CB 3.41Å; T650-D653 PolarHBondContact O-N 3.3Å; V651-D653 PolarHBondContact O-N 2.76Å; V651-D653 VanDerWaalsContact O-N 3.15Å; D653-L655 VanDerWaalsContact C-N 3.28Å; D653-L655 PolarHBondContact O-N 3.1Å; D653-F656 PolarHBondContact O-N 3.13Å |
| 654 | I | 78.3 | Confident | 70.8 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.9 | -31 | 175 | -60.8 | -172.8 | 0 | 0 | 0 | 111 | V613 F617 L646 V651 G652 F656 I657 W669 | V613-I654 HydrophobicContact CG1-CG1 4.29Å; F617-I654 HydrophobicContact CD2-CD1 3.73Å; F617-I654 HydrophobicContact CD2-CG1 3.86Å; F617-I654 HydrophobicContact CE1-CD1 4.42Å; F617-I654 HydrophobicContact CE2-CD1 3.62Å; F617-I654 HydrophobicContact CE2-CG1 4.2Å; F617-I654 HydrophobicContact CG-CD1 4.21Å; F617-I654 HydrophobicContact CG-CG1 4.35Å; F617-I654 HydrophobicContact CZ-CD1 3.96Å; L646-I654 HydrophobicContact CD1-CD1 3.76Å; L646-I654 HydrophobicContact CD2-CD1 3.39Å; L646-I654 HydrophobicContact CD2-CG1 4.37Å; L646-I654 HydrophobicContact CG-CD1 3.77Å; V651-I654 PolarHBondContact O-N 2.98Å; V651-I654 VanDerWaalsContact O-N 3.16Å; G652-I654 VanDerWaalsContact C-N 3.34Å; G652-I654 PolarHBondContact O-N 3.46Å; I654-F656 VanDerWaalsContact C-N 3.31Å; I654-F656 PolarHBondContact O-N 3.47Å; I654-I657 PolarHBondContact O-N 2.9Å; I654-W669 HydrophobicContact CG2-CB 4.09Å; I654-W669 HydrophobicContact CG2-CE3 4.04Å; I654-W669 PolarHBondContact O-N 3Å |
| 655 | L | 71.2 | Confident | 70.3 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.3 | -23.1 | 178.4 | -63.6 | 169.6 | 0 | 0 | 0 | 112.8 | G652 D653 I657 W669 L702 S705 P742 | G652-L655 WeakPolarHBondContact O-CB 3.36Å; G652-L655 PolarHBondContact O-N 3.21Å; D653-L655 VanDerWaalsContact C-N 3.28Å; D653-L655 PolarHBondContact O-N 3.1Å; L655-I657 VanDerWaalsContact C-N 3.34Å; L655-W669 HydrophobicContact CD2-CB 4.16Å; L655-W669 HydrophobicContact CD2-CD2 3.58Å; L655-W669 HydrophobicContact CD2-CE3 3.96Å; L655-W669 HydrophobicContact CD2-CG 3.66Å; L655-L702 HydrophobicContact CD1-CD2 4.45Å; L655-S705 WeakPolarHBondContact CD1-OG 3.19Å; L655-P742 HydrophobicContact CD2-CB 4.43Å |
| 656 | F | 69 | Low | 70 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.4 | 177.7 | -73 | -75 | 0 | 0 | 0 | 113.7 | G652 D653 I654 M709 | G652-F656 WeakPolarHBondContact O-CD2 3.4Å; D653-F656 PolarHBondContact O-N 3.13Å; I654-F656 VanDerWaalsContact C-N 3.31Å; I654-F656 PolarHBondContact O-N 3.47Å; F656-M709 HydrophobicContact CD1-CE 4Å; F656-M709 HydrophobicContact CE1-CE 3.47Å; F656-M709 VanDerWaalsContact CE1-CE 3.47Å; F656-M709 HydrophobicContact CE1-SD 4.4Å; F656-M709 HydrophobicContact CE2-CE 4.34Å; F656-M709 HydrophobicContact CZ-CE 3.66Å |
| 657 | I | 70.5 | Confident | 70.1 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -78.4 | 122.1 | 179.7 | -59.4 | 171.5 | 0 | 0 | 0 | 108.8 | F617 I654 L655 S659 R667 | F617-I657 HydrophobicContact CB-CD1 3.64Å; I654-I657 PolarHBondContact O-N 2.9Å; L655-I657 VanDerWaalsContact C-N 3.34Å; I657-S659 PolarHBondContact O-N 3.42Å; I657-R667 HydrophobicContact CG2-CB 4.43Å |
| 658 | P | 66.5 | Low | 70.2 | Confident | 110 Ų | 110 | 61.7 Ų | 61.7 | 71% | 0.714 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 128.6 | 179.5 | 21.4 | -29.4 | 0 | 0 | 0 | 110.9 | ||
| 659 | S | 63.5 | Low | 70.4 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 138.1 | 175.6 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | I657 | I657-S659 PolarHBondContact O-N 3.42Š|
| 660 | S | 62.7 | Low | 70.7 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 149.4 | 173.4 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | T662 F665 | S660-T662 VanDerWaalsContact C-N 3.31Å; S660-T662 PolarHBondContact O-N 3.04Å; S660-F665 WeakPolarHBondContact CB-O 3.5Å; S660-F665 PolarHBondContact OG-O 2.86Å |
| 661 | P | 59.5 | Low | 70.7 | Confident | 136 Ų | 136 | 56.7 Ų | 56.7 | 88% | 0.883 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -74.9 | -16.6 | -179.5 | 29.2 | -34.6 | 0 | 0 | 0 | 114 | ||
| 662 | T | 57.7 | Low | 71 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -116 | 132.9 | -176 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | S660 E664 F665 | S660-T662 VanDerWaalsContact C-N 3.31Å; S660-T662 PolarHBondContact O-N 3.04Å; T662-E664 PolarHBondContact O-N 3.46Å; T662-F665 PolarHBondContact O-N 2.77Å |
| 663 | E | 61.1 | Low | 71.3 | Confident | 174 Ų | 174 | 57.3 Ų | 57.3 | 81% | 0.813 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.4 | 178.2 | -69.6 | -169.1 | 167 | 0 | 0 | 113.1 | V666 | E663-V666 VanDerWaalsContact O-CG2 3.25Å; E663-V666 WeakPolarHBondContact O-CG2 3.47Å |
| 664 | E | 62.5 | Low | 71.3 | Confident | 110 Ų | 110 | 59.1 Ų | 59.1 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -36.4 | -179.2 | -63 | 179.1 | 178.2 | 0 | 0 | 113.2 | N622 L623 T662 | N622-E664 WeakPolarHBondContact CA-O 3.38Å; N622-E664 PolarHBondContact OD1-O 3.49Å; L623-E664 PolarHBondContact N-O 3.19Å; T662-E664 PolarHBondContact O-N 3.46Å |
| 665 | F | 68.2 | Low | 71.2 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 96.9 | -174.6 | -72.7 | -75.5 | 0 | 0 | 0 | 109.2 | T620 N622 S660 T662 | T620-F665 HydrophobicContact CG2-CB 3.9Å; T620-F665 HydrophobicContact CG2-CD1 4.21Å; T620-F665 HydrophobicContact CG2-CG 4.47Å; N622-F665 HydrophobicContact CB-CD1 4.08Å; N622-F665 HydrophobicContact CB-CE1 3.9Å; S660-F665 WeakPolarHBondContact CB-O 3.5Å; S660-F665 PolarHBondContact OG-O 2.86Å; T662-F665 PolarHBondContact O-N 2.77Å |
| 666 | V | 74.6 | Confident | 71.6 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 145.2 | -169.5 | -143.1 | 0 | 0 | 0 | 0 | 112.1 | L621 L623 E663 S670 | L621-V666 PolarHBondContact N-O 3.45Å; L621-V666 PolarHBondContact O-N 2.99Å; L623-V666 HydrophobicContact CD1-CG2 3.47Å; L623-V666 VanDerWaalsContact CD1-CG2 3.47Å; L623-V666 HydrophobicContact CG-CG2 4.3Å; E663-V666 VanDerWaalsContact O-CG2 3.25Å; E663-V666 WeakPolarHBondContact O-CG2 3.47Å; V666-S670 VanDerWaalsContact CG1-OG 3.26Å; V666-S670 WeakPolarHBondContact CG1-OG 3.45Å |
| 667 | R | 78.7 | Confident | 71.5 | Confident | 99 Ų | 99 | 54.1 Ų | 54.1 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | trans | -139.3 | 153.3 | 178.7 | -68.4 | 179.9 | 177.2 | 178.2 | 3.8 | 110.3 | S618 T620 I657 S670 G671 | S618-R667 WeakPolarHBondContact O-CD 3.45Å; S618-R667 PolarHBondContact O-NE 2.95Å; S618-R667 VanDerWaalsContact O-NE 3.15Å; T620-R667 HydrophobicContact CG2-CG 3.96Å; T620-R667 PolarHBondContact OG1-NH2 2.94Å; I657-R667 HydrophobicContact CG2-CB 4.43Å; R667-S670 PolarHBondContact O-OG 2.93Å; R667-S670 VanDerWaalsContact O-OG 3.12Å; R667-G671 PolarHBondContact O-N 3.31Å | ||
| 668 | G | 80.5 | Confident | 71.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | 57 | -138.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F617 S670 G671 F672 | F617-G668 PolarHBondContact O-N 3.47Å; F617-G668 VanDerWaalsContact O-N 3.09Å; G668-S670 PolarHBondContact O-N 3.48Å; G668-G671 PolarHBondContact O-N 3Å; G668-G671 VanDerWaalsContact O-N 3.12Å; G668-F672 PolarHBondContact O-N 3.16Å |
| 669 | W | 80.6 | Confident | 71 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 15% | 0.148 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | -172.9 | -175 | -114.5 | 0 | 0 | 0 | 114.3 | I654 L655 G671 F672 L673 L702 P742 I746 | I654-W669 HydrophobicContact CG2-CB 4.09Å; I654-W669 HydrophobicContact CG2-CE3 4.04Å; I654-W669 PolarHBondContact O-N 3Å; L655-W669 HydrophobicContact CD2-CB 4.16Å; L655-W669 HydrophobicContact CD2-CD2 3.58Å; L655-W669 HydrophobicContact CD2-CE3 3.96Å; L655-W669 HydrophobicContact CD2-CG 3.66Å; W669-G671 PolarHBondContact O-N 3.37Å; W669-F672 HydrophobicContact CE3-CD1 4.03Å; W669-F672 HydrophobicContact CH2-CD1 4.23Å; W669-F672 HydrophobicContact CH2-CE1 4.39Å; W669-F672 AromaticContact CZ3-CD1 3.7Å; W669-F672 HydrophobicContact CZ3-CD1 3.7Å; W669-F672 HydrophobicContact CZ3-CE1 4.07Å; W669-F672 PolarHBondContact O-N 3.42Å; W669-L673 HydrophobicContact CZ2-CD2 4.11Å; W669-L673 HydrophobicContact CZ2-CG 4.44Å; W669-L673 PolarHBondContact O-N 3.07Å; W669-L702 HydrophobicContact CH2-CD1 4.02Å; W669-L702 HydrophobicContact CH2-CD2 3.79Å; W669-L702 HydrophobicContact CZ3-CD2 4.09Å; W669-P742 HydrophobicContact CH2-CB 4.07Å; W669-P742 HydrophobicContact CZ2-CB 3.47Å; W669-P742 VanDerWaalsContact CZ2-CB 3.47Å; W669-I746 HydrophobicContact CH2-CD1 3.7Å; W669-I746 HydrophobicContact CH2-CG1 3.99Å; W669-I746 HydrophobicContact CZ2-CD1 4.26Å; W669-I746 HydrophobicContact CZ2-CG1 4.13Å |
| 670 | S | 79.3 | Confident | 71.2 | Confident | 31 Ų | 31 | 51 Ų | 51 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -34.3 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | V666 R667 G668 L673 N674 | V666-S670 VanDerWaalsContact CG1-OG 3.26Å; V666-S670 WeakPolarHBondContact CG1-OG 3.45Å; R667-S670 PolarHBondContact O-OG 2.93Å; R667-S670 VanDerWaalsContact O-OG 3.12Å; G668-S670 PolarHBondContact O-N 3.48Å; S670-L673 PolarHBondContact O-N 2.69Å; S670-N674 WeakPolarHBondContact O-CB 3.35Å; S670-N674 PolarHBondContact O-N 2.98Å |
| 671 | G | 75 | Confident | 71.4 | Confident | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | R667 G668 W669 N674 L675 | R667-G671 PolarHBondContact O-N 3.31Å; G668-G671 PolarHBondContact O-N 3Å; G668-G671 VanDerWaalsContact O-N 3.12Å; W669-G671 PolarHBondContact O-N 3.37Å; G671-N674 PolarHBondContact O-N 2.98Å; G671-L675 WeakPolarHBondContact O-CB 3.3Å; G671-L675 WeakPolarHBondContact O-CG 3.48Å; G671-L675 PolarHBondContact O-N 2.8Å |
| 672 | F | 82.2 | Confident | 71.7 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 173.2 | -177.3 | -103.3 | 0 | 0 | 0 | 112.1 | L643 L646 G668 W669 L675 I676 C690 L694 | L643-F672 HydrophobicContact CD2-CD2 4.04Å; L643-F672 HydrophobicContact CD2-CE2 4.11Å; L646-F672 HydrophobicContact CD1-CD2 4.25Å; L646-F672 HydrophobicContact CD1-CE2 3.97Å; G668-F672 PolarHBondContact O-N 3.16Å; W669-F672 HydrophobicContact CE3-CD1 4.03Å; W669-F672 HydrophobicContact CH2-CD1 4.23Å; W669-F672 HydrophobicContact CH2-CE1 4.39Å; W669-F672 AromaticContact CZ3-CD1 3.7Å; W669-F672 HydrophobicContact CZ3-CD1 3.7Å; W669-F672 HydrophobicContact CZ3-CE1 4.07Å; W669-F672 PolarHBondContact O-N 3.42Å; F672-L675 PolarHBondContact O-N 3.44Å; F672-I676 HydrophobicContact CD1-CD1 4.15Å; F672-I676 HydrophobicContact CE1-CD1 3.73Å; F672-I676 HydrophobicContact CZ-CD1 4.13Å; F672-I676 WeakPolarHBondContact O-CG1 3.38Å; F672-I676 PolarHBondContact O-N 3.36Å; F672-C690 HydrophobicContact CE2-CB 4.33Å; F672-L694 HydrophobicContact CE1-CD2 4.32Å; F672-L694 HydrophobicContact CZ-CD2 4Å |
| 673 | L | 79.1 | Confident | 72.4 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 176.5 | -68.9 | 178.2 | 0 | 0 | 0 | 112.5 | W669 S670 I676 H677 I746 A749 | W669-L673 HydrophobicContact CZ2-CD2 4.11Å; W669-L673 HydrophobicContact CZ2-CG 4.44Å; W669-L673 PolarHBondContact O-N 3.07Å; S670-L673 PolarHBondContact O-N 2.69Å; L673-I676 WeakPolarHBondContact O-CB 3.49Å; L673-I676 PolarHBondContact O-N 3.16Å; L673-H677 PolarHBondContact O-CD2 2.82Å; L673-H677 VanDerWaalsContact O-CD2 3.26Å; L673-H677 PolarHBondContact O-N 3.21Å; L673-I746 HydrophobicContact CD2-CG1 4.05Å; L673-A749 HydrophobicContact CD2-CB 4.34Å |
| 674 | N | 76.7 | Confident | 72.9 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -34.4 | 177.8 | -75.4 | -6.7 | 0 | 0 | 0 | 112.6 | L623 S670 G671 I676 H677 C678 | L623-N674 HydrophobicContact CD1-CB 3.78Å; S670-N674 WeakPolarHBondContact O-CB 3.35Å; S670-N674 PolarHBondContact O-N 2.98Å; G671-N674 PolarHBondContact O-N 2.98Å; N674-I676 VanDerWaalsContact C-N 3.28Å; N674-I676 PolarHBondContact O-N 3.29Å; N674-H677 CarbonylContact O-C 3.58Å; N674-H677 WeakPolarHBondContact O-CA 3.49Å; N674-H677 WeakPolarHBondContact O-CB 3.38Å; N674-H677 PolarHBondContact O-N 3.39Å; N674-C678 PolarHBondContact O-N 2.86Å; N674-C678 PolarHBondContact O-SG 3.46Å |
| 675 | L | 76.9 | Confident | 73.3 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -30.2 | 172.9 | -78.5 | 167.7 | 0 | 0 | 0 | 112.9 | L621 L623 W639 G671 F672 H677 F683 L686 H687 | L621-L675 HydrophobicContact CD2-CD2 4.31Å; L623-L675 HydrophobicContact CD2-CD2 4.46Å; W639-L675 HydrophobicContact CD2-CD1 4.31Å; W639-L675 HydrophobicContact CE3-CD1 3.41Å; W639-L675 VanDerWaalsContact CE3-CD1 3.41Å; W639-L675 HydrophobicContact CZ3-CD1 3.53Å; G671-L675 WeakPolarHBondContact O-CB 3.3Å; G671-L675 WeakPolarHBondContact O-CG 3.48Å; G671-L675 PolarHBondContact O-N 2.8Å; F672-L675 PolarHBondContact O-N 3.44Å; L675-H677 VanDerWaalsContact C-N 3.28Å; L675-F683 HydrophobicContact CD2-CB 4.35Å; L675-L686 HydrophobicContact CD2-CB 4.09Å; L675-L686 HydrophobicContact CD2-CD1 4.34Å; L675-H687 PolarHBondContact O-ND1 3.45Å |
| 676 | I | 78.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.1 | -31.5 | 171 | -64.8 | 167.5 | 0 | 0 | 0 | 110.5 | F672 L673 N674 H687 L691 L694 A749 L750 | F672-I676 HydrophobicContact CD1-CD1 4.15Å; F672-I676 HydrophobicContact CE1-CD1 3.73Å; F672-I676 HydrophobicContact CZ-CD1 4.13Å; F672-I676 WeakPolarHBondContact O-CG1 3.38Å; F672-I676 PolarHBondContact O-N 3.36Å; L673-I676 WeakPolarHBondContact O-CB 3.49Å; L673-I676 PolarHBondContact O-N 3.16Å; N674-I676 VanDerWaalsContact C-N 3.28Å; N674-I676 PolarHBondContact O-N 3.29Å; I676-H687 PolarHBondContact O-CE1 3.47Å; I676-H687 PolarHBondContact O-ND1 2.98Å; I676-L691 HydrophobicContact CG2-CD2 4.29Å; I676-L694 HydrophobicContact CD1-CD1 4.25Å; I676-A749 HydrophobicContact CB-CB 4.47Å; I676-A749 HydrophobicContact CG2-CB 4.04Å; I676-L750 HydrophobicContact CG2-CD2 3.92Å; I676-L750 HydrophobicContact CG2-CG 4.46Å |
| 677 | H | 68.1 | Low | 74 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -79.5 | -35.3 | 177.3 | -74.9 | -58.7 | 0 | 0 | 0 | 114.4 | L673 N674 L675 S679 A749 | L673-H677 PolarHBondContact O-CD2 2.82Å; L673-H677 VanDerWaalsContact O-CD2 3.26Å; L673-H677 PolarHBondContact O-N 3.21Å; N674-H677 CarbonylContact O-C 3.58Å; N674-H677 WeakPolarHBondContact O-CA 3.49Å; N674-H677 WeakPolarHBondContact O-CB 3.38Å; N674-H677 PolarHBondContact O-N 3.39Å; L675-H677 VanDerWaalsContact C-N 3.28Å; H677-S679 PolarHBondContact O-N 2.96Å; H677-A749 WeakPolarHBondContact CE1-CA 3.44Å; H677-A749 PolarHBondContact CE1-O 3.24Å; H677-A749 VanDerWaalsContact CE1-O 3.25Å; H677-A749 PolarHBondContact ND1-O 3.32Å |
| 678 | C | 65.7 | Low | 74 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 24% | 0.243 | 21% | 0.214 | C | C | . | . | trans | -82.5 | 110.2 | -171.5 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | N674 N680 | N674-C678 PolarHBondContact O-N 2.86Å; N674-C678 PolarHBondContact O-SG 3.46Å; C678-N680 VanDerWaalsContact C-N 3.28Å | ||
| 679 | S | 60.5 | Low | 73.9 | Confident | 60 Ų | 60 | 40.2 Ų | 40.2 | 42% | 0.42 | 22% | 0.216 | S | C | . | . | trans | -89.2 | 18.7 | 167.6 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | H677 V681 | H677-S679 PolarHBondContact O-N 2.96Å; S679-V681 PolarHBondContact O-N 3.36Å | ||
| 680 | N | 67.5 | Low | 73.8 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | trans | -61.5 | 133.1 | -178.3 | -176.4 | -9.9 | 0 | 0 | 0 | 111.2 | C678 H682 F683 I684 | C678-N680 VanDerWaalsContact C-N 3.28Å; N680-H682 PolarHBondContact O-N 2.91Å; N680-H682 PolarHBondContact OD1-N 3.44Å; N680-F683 HydrophobicContact CB-CD2 4.08Å; N680-F683 CarbonylContact O-C 3.53Å; N680-F683 WeakPolarHBondContact O-CA 3.31Å; N680-F683 PolarHBondContact O-N 2.96Å; N680-I684 WeakPolarHBondContact O-CG1 3.29Å; N680-I684 PolarHBondContact O-N 3.22Å | ||
| 681 | V | 67.7 | Low | 73.8 | Confident | 113 Ų | 113 | 37.4 Ų | 37.4 | 69% | 0.685 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -48.3 | -39.5 | -175.1 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | S679 F683 I684 | S679-V681 PolarHBondContact O-N 3.36Å; V681-F683 VanDerWaalsContact C-N 3.3Å; V681-F683 PolarHBondContact O-N 3.38Å; V681-I684 HydrophobicContact CB-CD1 4.34Å; V681-I684 HydrophobicContact CG1-CD1 4.44Å; V681-I684 HydrophobicContact CG2-CD1 4.41Å |
| 682 | H | 65.8 | Low | 74 | Confident | 97 Ų | 97 | 40 Ų | 40 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -72 | -22.9 | -179.7 | -61.4 | -67.3 | 0 | 0 | 0 | 114.1 | S626 N680 | S626-H682 PolarHBondContact O-NE2 3.2Å; N680-H682 PolarHBondContact O-N 2.91Å; N680-H682 PolarHBondContact OD1-N 3.44Å |
| 683 | F | 70.8 | Confident | 73.8 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 4% | 0.044 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -110.8 | 5.6 | -178.3 | -57 | -61.3 | 0 | 0 | 0 | 112.8 | L621 N622 L623 I636 L675 N680 V681 D685 L686 H687 | L621-F683 HydrophobicContact CD2-CD1 4.37Å; L621-F683 HydrophobicContact CD2-CE1 3.93Å; L621-F683 HydrophobicContact CD2-CZ 4.16Å; L621-F683 HydrophobicContact CG-CE1 4.39Å; N622-F683 VanDerWaalsContact O-CZ 3.3Å; N622-F683 WeakPolarHBondContact O-CZ 3.44Å; L623-F683 HydrophobicContact CD2-CD2 3.96Å; L623-F683 HydrophobicContact CD2-CE2 3.91Å; L623-F683 HydrophobicContact CD2-CG 4.5Å; L623-F683 HydrophobicContact CD2-CZ 4.39Å; I636-F683 HydrophobicContact CD1-CE1 4.1Å; I636-F683 HydrophobicContact CG1-CE1 4.09Å; L675-F683 HydrophobicContact CD2-CB 4.35Å; N680-F683 HydrophobicContact CB-CD2 4.08Å; N680-F683 CarbonylContact O-C 3.53Å; N680-F683 WeakPolarHBondContact O-CA 3.31Å; N680-F683 PolarHBondContact O-N 2.96Å; V681-F683 VanDerWaalsContact C-N 3.3Å; V681-F683 PolarHBondContact O-N 3.38Å; F683-D685 VanDerWaalsContact C-N 3.26Å; F683-D685 PolarHBondContact O-N 3.23Å; F683-L686 HydrophobicContact CD1-CD1 4.08Å; F683-L686 PolarHBondContact O-N 3.29Å; F683-H687 WeakPolarHBondContact O-CB 3.33Å; F683-H687 PolarHBondContact O-N 3.39Å |
| 684 | I | 72.9 | Confident | 73.7 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.7 | -43.2 | 178.8 | -74 | 178 | 0 | 0 | 0 | 111.3 | N680 V681 L686 H687 H688 | N680-I684 WeakPolarHBondContact O-CG1 3.29Å; N680-I684 PolarHBondContact O-N 3.22Å; V681-I684 HydrophobicContact CB-CD1 4.34Å; V681-I684 HydrophobicContact CG1-CD1 4.44Å; V681-I684 HydrophobicContact CG2-CD1 4.41Å; I684-L686 PolarHBondContact O-N 3.46Å; I684-H687 PolarHBondContact O-N 2.87Å; I684-H688 WeakPolarHBondContact CG2-CD2 3.49Å; I684-H688 WeakPolarHBondContact CG2-NE2 3.29Å; I684-H688 WeakPolarHBondContact O-CB 3.16Å; I684-H688 PolarHBondContact O-CD2 3.3Å; I684-H688 PolarHBondContact O-N 2.9Å |
| 685 | D | 71.1 | Confident | 73.9 | Confident | 90 Ų | 90 | 42 Ų | 42 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 175.6 | -91.8 | 18.4 | 0 | 0 | 0 | 111.9 | K640 F683 I689 | K640-D685 IonicContact NZ-OD2 3.45Å; K640-D685 PolarHBondContact NZ-OD2 2.95Å; F683-D685 VanDerWaalsContact C-N 3.26Å; F683-D685 PolarHBondContact O-N 3.23Å; D685-I689 WeakPolarHBondContact O-CB 3.27Å; D685-I689 WeakPolarHBondContact O-CD1 3.46Å; D685-I689 WeakPolarHBondContact O-CG1 3.38Å; D685-I689 PolarHBondContact O-N 3.28Å |
| 686 | L | 76 | Confident | 73.7 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 179.8 | -71.6 | 175.2 | 0 | 0 | 0 | 111.1 | L621 I636 W639 K640 L643 L675 F683 I684 H688 I689 C690 | L621-L686 HydrophobicContact CD1-CD1 3.89Å; I636-L686 HydrophobicContact CG1-CD1 4.48Å; I636-L686 HydrophobicContact CG2-CD1 4.14Å; W639-L686 HydrophobicContact CB-CD1 4.3Å; W639-L686 HydrophobicContact CB-CD2 4.04Å; K640-L686 HydrophobicContact CB-CD2 3.96Å; K640-L686 HydrophobicContact CG-CD2 4.47Å; L643-L686 HydrophobicContact CD1-CB 4.36Å; L643-L686 HydrophobicContact CD1-CD2 3.66Å; L675-L686 HydrophobicContact CD2-CB 4.09Å; L675-L686 HydrophobicContact CD2-CD1 4.34Å; F683-L686 HydrophobicContact CD1-CD1 4.08Å; F683-L686 PolarHBondContact O-N 3.29Å; I684-L686 PolarHBondContact O-N 3.46Å; L686-H688 PolarHBondContact O-N 3.25Å; L686-I689 PolarHBondContact O-N 2.98Å; L686-C690 WeakPolarHBondContact O-CB 3.31Å; L686-C690 PolarHBondContact O-N 2.93Å; L686-C690 PolarHBondContact O-SG 2.97Å |
| 687 | H | 81.7 | Confident | 73.4 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 175.4 | 177.4 | 81.5 | 0 | 0 | 0 | 111.2 | L675 I676 F683 I684 I689 C690 L691 | L675-H687 PolarHBondContact O-ND1 3.45Å; I676-H687 PolarHBondContact O-CE1 3.47Å; I676-H687 PolarHBondContact O-ND1 2.98Å; F683-H687 WeakPolarHBondContact O-CB 3.33Å; F683-H687 PolarHBondContact O-N 3.39Å; I684-H687 PolarHBondContact O-N 2.87Å; H687-I689 PolarHBondContact O-N 3.5Å; H687-C690 WeakPolarHBondContact O-CB 3.5Å; H687-C690 PolarHBondContact O-N 3.23Å; H687-L691 VanDerWaalsContact NE2-CD1 3.3Å; H687-L691 WeakPolarHBondContact NE2-CD1 3.32Å; H687-L691 WeakPolarHBondContact O-CG 3.48Å; H687-L691 PolarHBondContact O-N 3.2Å |
| 688 | H | 78.5 | Confident | 73.7 | Confident | 94 Ų | 94 | 42.8 Ų | 42.8 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 176.6 | -75.9 | -41.9 | 0 | 0 | 0 | 112.8 | I684 L686 L691 S692 | I684-H688 WeakPolarHBondContact CG2-CD2 3.49Å; I684-H688 WeakPolarHBondContact CG2-NE2 3.29Å; I684-H688 WeakPolarHBondContact O-CB 3.16Å; I684-H688 PolarHBondContact O-CD2 3.3Å; I684-H688 PolarHBondContact O-N 2.9Å; L686-H688 PolarHBondContact O-N 3.25Å; H688-L691 PolarHBondContact O-N 3.4Å; H688-S692 VanDerWaalsContact O-CB 3.28Å; H688-S692 WeakPolarHBondContact O-CB 3.26Å; H688-S692 PolarHBondContact O-N 3.32Å; H688-S692 PolarHBondContact O-OG 3.46Å |
| 689 | I | 76.9 | Confident | 74.3 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.8 | -66.4 | 164.7 | 0 | 0 | 0 | 110 | K640 L643 D685 L686 H687 S692 R693 | K640-I689 HydrophobicContact CD-CD1 4.31Å; K640-I689 HydrophobicContact CG-CD1 3.69Å; L643-I689 HydrophobicContact CB-CG2 3.64Å; L643-I689 HydrophobicContact CD1-CB 4.36Å; L643-I689 HydrophobicContact CD1-CG2 4.14Å; D685-I689 WeakPolarHBondContact O-CB 3.27Å; D685-I689 WeakPolarHBondContact O-CD1 3.46Å; D685-I689 WeakPolarHBondContact O-CG1 3.38Å; D685-I689 PolarHBondContact O-N 3.28Å; L686-I689 PolarHBondContact O-N 2.98Å; H687-I689 PolarHBondContact O-N 3.5Å; I689-S692 WeakPolarHBondContact CA-OG 3.27Å; I689-S692 PolarHBondContact O-N 3.32Å; I689-S692 PolarHBondContact O-OG 3.46Å; I689-R693 HydrophobicContact CG2-CG 4.38Å; I689-R693 VanDerWaalsContact O-CG 3.26Å; I689-R693 WeakPolarHBondContact O-CG 3.25Å; I689-R693 PolarHBondContact O-N 2.99Å; I689-R693 VanDerWaalsContact O-N 3.08Å |
| 690 | C | 78.7 | Confident | 75 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.2 | -53.7 | 174.4 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | L643 F672 L686 H687 S692 R693 L694 | L643-C690 WeakPolarHBondContact CD1-SG 3.16Å; L643-C690 WeakPolarHBondContact CD2-SG 3.43Å; F672-C690 HydrophobicContact CE2-CB 4.33Å; L686-C690 WeakPolarHBondContact O-CB 3.31Å; L686-C690 PolarHBondContact O-N 2.93Å; L686-C690 PolarHBondContact O-SG 2.97Å; H687-C690 WeakPolarHBondContact O-CB 3.5Å; H687-C690 PolarHBondContact O-N 3.23Å; C690-S692 VanDerWaalsContact C-N 3.28Å; C690-S692 PolarHBondContact O-N 3.24Å; C690-R693 PolarHBondContact O-N 3.46Å; C690-L694 PolarHBondContact O-N 3.49Å |
| 691 | L | 79.9 | Confident | 75.2 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -34.8 | 178.8 | -65 | -172.2 | 0 | 0 | 0 | 112.3 | I676 H687 H688 R693 L694 L750 V768 | I676-L691 HydrophobicContact CG2-CD2 4.29Å; H687-L691 VanDerWaalsContact NE2-CD1 3.3Å; H687-L691 WeakPolarHBondContact NE2-CD1 3.32Å; H687-L691 WeakPolarHBondContact O-CG 3.48Å; H687-L691 PolarHBondContact O-N 3.2Å; H688-L691 PolarHBondContact O-N 3.4Å; L691-R693 VanDerWaalsContact C-N 3.3Å; L691-R693 PolarHBondContact O-N 3.5Å; L691-L694 HydrophobicContact CD2-CD1 4.25Å; L691-L750 HydrophobicContact CD2-CD2 4.12Å; L691-V768 HydrophobicContact CB-CG2 3.93Å; L691-V768 HydrophobicContact CD2-CG2 4.14Å; L691-V768 HydrophobicContact CG-CG2 4.42Å |
| 692 | S | 78.6 | Confident | 75.4 | Confident | 56 Ų | 56 | 31.8 Ų | 31.8 | 39% | 0.392 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67 | -31.6 | 178.2 | 78.9 | 0 | 0 | 0 | 0 | 112.8 | H688 I689 C690 R771 | H688-S692 VanDerWaalsContact O-CB 3.28Å; H688-S692 WeakPolarHBondContact O-CB 3.26Å; H688-S692 PolarHBondContact O-N 3.32Å; H688-S692 PolarHBondContact O-OG 3.46Å; I689-S692 WeakPolarHBondContact CA-OG 3.27Å; I689-S692 PolarHBondContact O-N 3.32Å; I689-S692 PolarHBondContact O-OG 3.46Å; C690-S692 VanDerWaalsContact C-N 3.28Å; C690-S692 PolarHBondContact O-N 3.24Å; S692-R771 PolarHBondContact O-NH1 3.47Å; S692-R771 PolarHBondContact O-NH2 3.14Å |
| 693 | R | 79.2 | Confident | 75.5 | Confident | 69 Ų | 69 | 31.8 Ų | 31.8 | 26% | 0.26 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -84.5 | -19.9 | -176.9 | -70.3 | -75.1 | 169.8 | 155.1 | 1.3 | 113.8 | L643 R644 I689 C690 L691 N695 | L643-R693 WeakPolarHBondContact O-CG 3.4Å; R644-R693 PolarHBondContact O-NH1 3.46Å; R644-R693 PolarHBondContact O-NH2 3.48Å; R644-R693 VanDerWaalsContact O-NH2 3.11Å; I689-R693 HydrophobicContact CG2-CG 4.38Å; I689-R693 VanDerWaalsContact O-CG 3.26Å; I689-R693 WeakPolarHBondContact O-CG 3.25Å; I689-R693 PolarHBondContact O-N 2.99Å; I689-R693 VanDerWaalsContact O-N 3.08Å; C690-R693 PolarHBondContact O-N 3.46Å; L691-R693 VanDerWaalsContact C-N 3.3Å; L691-R693 PolarHBondContact O-N 3.5Å; R693-N695 PolarHBondContact O-N 3.45Å |
| 694 | L | 76.9 | Confident | 75.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -63.6 | 94.8 | 170.7 | -70.2 | 176.6 | 0 | 0 | 0 | 109.9 | F672 I676 C690 L691 L698 I746 V768 L772 | F672-L694 HydrophobicContact CE1-CD2 4.32Å; F672-L694 HydrophobicContact CZ-CD2 4Å; I676-L694 HydrophobicContact CD1-CD1 4.25Å; C690-L694 PolarHBondContact O-N 3.49Å; L691-L694 HydrophobicContact CD2-CD1 4.25Å; L694-L698 HydrophobicContact CD2-CD2 4.33Å; L694-I746 HydrophobicContact CD2-CD1 4.31Å; L694-V768 HydrophobicContact CB-CG1 4.11Å; L694-V768 HydrophobicContact CD1-CG1 3.89Å; L694-L772 HydrophobicContact CB-CD2 4.19Å | ||
| 695 | N | 79.9 | Confident | 74.6 | Confident | 53 Ų | 53 | 37.7 Ų | 37.7 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | trans | -117.6 | 164.4 | 177.6 | 80.6 | 4.9 | 0 | 0 | 0 | 109.4 | R693 A697 L698 F699 | R693-N695 PolarHBondContact O-N 3.45Å; N695-A697 VanDerWaalsContact C-N 3.27Å; N695-A697 PolarHBondContact O-N 3.31Å; N695-A697 PolarHBondContact OD1-N 2.89Å; N695-L698 PolarHBondContact O-N 3.36Å; N695-L698 WeakPolarHBondContact OD1-CB 3.4Å; N695-L698 PolarHBondContact OD1-N 3.27Å; N695-F699 WeakPolarHBondContact O-CB 3.26Å; N695-F699 PolarHBondContact O-N 3.25Å | ||
| 696 | P | 73.2 | Confident | 73.9 | Confident | 41 Ų | 41 | 35.8 Ų | 35.8 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.3 | -29.1 | -172.3 | 23.8 | -29.1 | 0 | 0 | 0 | 112.8 | A700 R771 H773 | P696-A700 WeakPolarHBondContact O-CB 3.26Å; P696-A700 PolarHBondContact O-N 3.38Å; P696-R771 WeakPolarHBondContact CB-O 3.29Å; P696-R771 WeakPolarHBondContact CD-O 3.26Å; P696-R771 WeakPolarHBondContact CG-O 3.49Å; P696-H773 HydrophobicContact CB-CB 3.92Å; P696-H773 VanDerWaalsContact CB-CD2 3.49Å; P696-H773 WeakPolarHBondContact CB-CD2 3.49Å |
| 697 | A | 71.7 | Confident | 72.4 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -75.4 | -39.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E648 N695 A700 S701 | E648-A697 HydrophobicContact CG-CB 3.79Å; E648-A697 WeakPolarHBondContact OE1-CB 3.3Å; N695-A697 VanDerWaalsContact C-N 3.27Å; N695-A697 PolarHBondContact O-N 3.31Å; N695-A697 PolarHBondContact OD1-N 2.89Å; A697-A700 PolarHBondContact O-N 2.86Å; A697-S701 PolarHBondContact O-N 3.3Å |
| 698 | L | 74.8 | Confident | 70.5 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 170.3 | -174.9 | 147.6 | 0 | 0 | 0 | 110.4 | V651 L694 N695 A700 S701 L702 | V651-L698 HydrophobicContact CG2-CD1 3.48Å; V651-L698 VanDerWaalsContact CG2-CD1 3.48Å; V651-L698 HydrophobicContact CG2-CD2 4.11Å; V651-L698 HydrophobicContact CG2-CG 3.45Å; V651-L698 VanDerWaalsContact CG2-CG 3.45Å; L694-L698 HydrophobicContact CD2-CD2 4.33Å; N695-L698 PolarHBondContact O-N 3.36Å; N695-L698 WeakPolarHBondContact OD1-CB 3.4Å; N695-L698 PolarHBondContact OD1-N 3.27Å; L698-A700 VanDerWaalsContact C-N 3.33Å; L698-A700 PolarHBondContact O-N 2.82Å; L698-S701 PolarHBondContact O-N 3.35Å; L698-S701 PolarHBondContact O-OG 3.28Å; L698-L702 HydrophobicContact CD2-CD1 4.27Å; L698-L702 PolarHBondContact O-N 2.88Å |
| 699 | F | 78.9 | Confident | 68.8 | Low | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.022 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 175.2 | -166.2 | -103.1 | 0 | 0 | 0 | 111.8 | N695 L702 Q743 I746 L747 L772 L774 H778 | N695-F699 WeakPolarHBondContact O-CB 3.26Å; N695-F699 PolarHBondContact O-N 3.25Å; F699-L702 WeakPolarHBondContact O-CB 3.32Å; F699-L702 PolarHBondContact O-N 3.03Å; F699-Q743 HydrophobicContact CD1-CG 4.45Å; F699-Q743 HydrophobicContact CD2-CG 4.36Å; F699-Q743 HydrophobicContact CE1-CB 4.33Å; F699-Q743 HydrophobicContact CE1-CG 4.15Å; F699-Q743 HydrophobicContact CE2-CB 3.93Å; F699-Q743 HydrophobicContact CE2-CG 4.05Å; F699-Q743 HydrophobicContact CZ-CB 3.71Å; F699-Q743 HydrophobicContact CZ-CG 3.94Å; F699-Q743 PolarHBondContact O-NE2 3.24Å; F699-I746 HydrophobicContact CE2-CG2 4.45Å; F699-L747 HydrophobicContact CE2-CD2 4.46Å; F699-L747 HydrophobicContact CE2-CG 4.49Å; F699-L747 HydrophobicContact CZ-CD1 4.35Å; F699-L747 HydrophobicContact CZ-CD2 4.19Å; F699-L747 HydrophobicContact CZ-CG 4.19Å; F699-L772 HydrophobicContact CB-CD2 3.8Å; F699-L772 HydrophobicContact CD2-CD1 4.47Å; F699-L772 HydrophobicContact CD2-CD2 3.79Å; F699-L772 HydrophobicContact CG-CD2 3.89Å; F699-L774 HydrophobicContact CE1-CD2 4.15Å; F699-L774 HydrophobicContact CZ-CD2 4.18Å; F699-H778 AromaticContact CE1-CE1 3.51Å; F699-H778 AromaticContact CE1-ND1 3.7Å |
| 700 | A | 74.1 | Confident | 67.2 | Low | 17 Ų | 17 | 51.5 Ų | 51.5 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.3 | -35.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P696 A697 L698 L702 E703 | P696-A700 WeakPolarHBondContact O-CB 3.26Å; P696-A700 PolarHBondContact O-N 3.38Å; A697-A700 PolarHBondContact O-N 2.86Å; L698-A700 VanDerWaalsContact C-N 3.33Å; L698-A700 PolarHBondContact O-N 2.82Å; A700-L702 PolarHBondContact O-N 3.34Å; A700-E703 VanDerWaalsContact O-CB 3.29Å; A700-E703 WeakPolarHBondContact O-CB 3.25Å; A700-E703 PolarHBondContact O-N 3.04Å; A700-E703 VanDerWaalsContact O-N 3.13Å |
| 701 | S | 71.8 | Confident | 65.4 | Low | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -33.3 | 177 | 84.9 | 0 | 0 | 0 | 0 | 112.3 | E648 A697 L698 E703 R704 S705 | E648-S701 WeakPolarHBondContact O-CB 3.41Å; E648-S701 PolarHBondContact O-OG 3.18Å; A697-S701 PolarHBondContact O-N 3.3Å; L698-S701 PolarHBondContact O-N 3.35Å; L698-S701 PolarHBondContact O-OG 3.28Å; S701-E703 PolarHBondContact O-N 2.89Å; S701-R704 PolarHBondContact O-N 2.93Å; S701-R704 VanDerWaalsContact O-N 3.09Å; S701-S705 PolarHBondContact O-N 3.28Å; S701-S705 VanDerWaalsContact O-N 3.07Å |
| 702 | L | 72 | Confident | 63.2 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -32.6 | 176.1 | -74.7 | 169.2 | 0 | 0 | 0 | 112.1 | V651 L655 W669 L698 F699 A700 S705 P742 Q743 I746 | V651-L702 HydrophobicContact CG1-CD2 3.31Å; V651-L702 HydrophobicContact CG1-CG 3.88Å; L655-L702 HydrophobicContact CD1-CD2 4.45Å; W669-L702 HydrophobicContact CH2-CD1 4.02Å; W669-L702 HydrophobicContact CH2-CD2 3.79Å; W669-L702 HydrophobicContact CZ3-CD2 4.09Å; L698-L702 HydrophobicContact CD2-CD1 4.27Å; L698-L702 PolarHBondContact O-N 2.88Å; F699-L702 WeakPolarHBondContact O-CB 3.32Å; F699-L702 PolarHBondContact O-N 3.03Å; A700-L702 PolarHBondContact O-N 3.34Å; L702-S705 PolarHBondContact O-OG 3.46Å; L702-P742 HydrophobicContact CB-CG 4.18Å; L702-P742 HydrophobicContact CD2-CB 4.09Å; L702-P742 HydrophobicContact CD2-CG 4.11Å; L702-Q743 HydrophobicContact CB-CG 3.92Å; L702-I746 HydrophobicContact CD1-CD1 3.32Å |
| 703 | E | 67.7 | Low | 61 | Low | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 173.3 | -144 | 179 | 143.8 | 0 | 0 | 111.8 | A700 S701 S705 T706 Q743 | A700-E703 VanDerWaalsContact O-CB 3.29Å; A700-E703 WeakPolarHBondContact O-CB 3.25Å; A700-E703 PolarHBondContact O-N 3.04Å; A700-E703 VanDerWaalsContact O-N 3.13Å; S701-E703 PolarHBondContact O-N 2.89Å; E703-S705 VanDerWaalsContact C-N 3.29Å; E703-S705 PolarHBondContact O-N 3.28Å; E703-T706 PolarHBondContact O-OG1 2.9Å; E703-Q743 VanDerWaalsContact CB-NE2 3.28Å |
| 704 | R | 65.4 | Low | 58.8 | Low | 170 Ų | 170 | 72.5 Ų | 72.5 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.7 | -32.5 | -178.1 | -61.2 | -174.2 | -160.6 | 137.4 | 5 | 111.6 | S701 T706 L707 S708 | S701-R704 PolarHBondContact O-N 2.93Å; S701-R704 VanDerWaalsContact O-N 3.09Å; R704-T706 VanDerWaalsContact C-N 3.33Å; R704-T706 PolarHBondContact O-N 2.74Å; R704-L707 PolarHBondContact O-N 2.91Å; R704-S708 PolarHBondContact O-N 3.25Å |
| 705 | S | 59.9 | Low | 56.5 | Low | 23 Ų | 23 | 79.5 Ų | 79.5 | 16% | 0.161 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.5 | -32.2 | -178.2 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | L655 S701 L702 E703 S708 | L655-S705 WeakPolarHBondContact CD1-OG 3.19Å; S701-S705 PolarHBondContact O-N 3.28Å; S701-S705 VanDerWaalsContact O-N 3.07Å; L702-S705 PolarHBondContact O-OG 3.46Å; E703-S705 VanDerWaalsContact C-N 3.29Å; E703-S705 PolarHBondContact O-N 3.28Å; S705-S708 PolarHBondContact O-N 3.4Å |
| 706 | T | 55.3 | Low | 54.2 | Low | 51 Ų | 51 | 81 Ų | 81 | 31% | 0.313 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71 | -36.4 | 176.5 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | E703 R704 S708 M709 P742 | E703-T706 PolarHBondContact O-OG1 2.9Å; R704-T706 VanDerWaalsContact C-N 3.33Å; R704-T706 PolarHBondContact O-N 2.74Å; T706-S708 VanDerWaalsContact C-N 3.26Å; T706-S708 PolarHBondContact O-N 3.16Å; T706-M709 PolarHBondContact O-N 2.86Å; T706-M709 VanDerWaalsContact O-N 3.16Å; T706-P742 HydrophobicContact CG2-CG 3.83Å |
| 707 | L | 45 | Very low | 52.1 | Low | 126 Ų | 126 | 83.6 Ų | 83.6 | 66% | 0.66 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.7 | -32.6 | 176.9 | -70.5 | 169.5 | 0 | 0 | 0 | 112 | R704 M709 | R704-L707 PolarHBondContact O-N 2.91Å; L707-M709 VanDerWaalsContact C-N 3.33Å; L707-M709 PolarHBondContact O-N 3.3Å |
| 708 | S | 42.7 | Very low | 50 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 51% | 0.51 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 175.2 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | R704 S705 T706 N710 S711 | R704-S708 PolarHBondContact O-N 3.25Å; S705-S708 PolarHBondContact O-N 3.4Å; T706-S708 VanDerWaalsContact C-N 3.26Å; T706-S708 PolarHBondContact O-N 3.16Å; S708-N710 VanDerWaalsContact C-N 3.32Å; S708-N710 PolarHBondContact O-N 3.44Å; S708-S711 PolarHBondContact O-OG 2.95Å |
| 709 | M | 43 | Very low | 47.7 | Very low | 101 Ų | 101 | 96.6 Ų | 96.6 | 50% | 0.498 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -28.5 | -177.8 | -72.7 | -69.1 | -177 | 0 | 0 | 113.3 | F656 T706 L707 | F656-M709 HydrophobicContact CD1-CE 4Å; F656-M709 HydrophobicContact CE1-CE 3.47Å; F656-M709 VanDerWaalsContact CE1-CE 3.47Å; F656-M709 HydrophobicContact CE1-SD 4.4Å; F656-M709 HydrophobicContact CE2-CE 4.34Å; F656-M709 HydrophobicContact CZ-CE 3.66Å; T706-M709 PolarHBondContact O-N 2.86Å; T706-M709 VanDerWaalsContact O-N 3.16Å; L707-M709 VanDerWaalsContact C-N 3.33Å; L707-M709 PolarHBondContact O-N 3.3Å |
| 710 | N | 41.9 | Very low | 45.2 | Very low | 139 Ų | 139 | 106.7 Ų | 106.7 | 74% | 0.743 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.3 | -175.8 | -77.4 | -18.4 | 0 | 0 | 0 | 114.8 | S708 | S708-N710 VanDerWaalsContact C-N 3.32Å; S708-N710 PolarHBondContact O-N 3.44Å |
| 711 | S | 41 | Very low | 42.8 | Very low | 85 Ų | 85 | 115.8 Ų | 115.8 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -87.4 | -14.8 | -173.6 | 64.9 | 0 | 0 | 0 | 0 | 115.2 | S708 | S708-S711 PolarHBondContact O-OG 2.95Š|
| 712 | N | 33.8 | Very low | 40.5 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 58% | 0.578 | 62% | 0.619 | S | S | * | * | trans | -107.1 | 81.3 | -175.7 | -73.6 | -25.1 | 0 | 0 | 0 | 112.3 | E714 | N712-E714 PolarHBondContact O-N 3.28Š| ||
| 713 | K | 33.7 | Very low | 38.2 | Very low | 203 Ų | 203 | 126.9 Ų | 126.9 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -0.7 | 178.8 | -90.1 | -176.2 | 176.6 | 177.5 | 0 | 116 | ||
| 714 | E | 31.2 | Very low | 36.1 | Very low | 180 Ų | 180 | 125.6 Ų | 125.6 | 84% | 0.841 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -5.4 | -177.7 | -79 | -171.5 | 155.3 | 0 | 0 | 116.6 | N712 | N712-E714 PolarHBondContact O-N 3.28Š|
| 715 | K | 29.2 | Very low | 34 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -99.4 | 6.9 | -177.3 | -72.6 | -174.8 | 178.8 | 178.3 | 0 | 116.1 | S717 | K715-S717 VanDerWaalsContact C-N 3.26Å; K715-S717 PolarHBondContact O-N 3.29Å |
| 716 | A | 31.7 | Very low | 32.2 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 717 | S | 29.2 | Very low | 30.7 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -22.1 | -174.8 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | K715 | K715-S717 VanDerWaalsContact C-N 3.26Å; K715-S717 PolarHBondContact O-N 3.29Å |
| 718 | I | 28.2 | Very low | 29.6 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -83.6 | -19.4 | -175.9 | -60.6 | 176.7 | 0 | 0 | 0 | 112.3 | R720 | I718-R720 VanDerWaalsContact C-N 3.34Å; I718-R720 PolarHBondContact O-N 2.94Å |
| 719 | L | 25.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -86.8 | 11.7 | -179.2 | -116.3 | 101.5 | 0 | 0 | 0 | 115.5 | ||
| 720 | R | 25.8 | Very low | 27.7 | Very low | 216 Ų | 216 | 145.4 Ų | 145.4 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -91.1 | 5.2 | -176.8 | -117.8 | -177.7 | -155.4 | 157.7 | 7.5 | 116.3 | I718 | I718-R720 VanDerWaalsContact C-N 3.34Å; I718-R720 PolarHBondContact O-N 2.94Å |
| 721 | K | 23.9 | Very low | 26.7 | Very low | 208 Ų | 208 | 149.3 Ų | 149.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -110.7 | 63.5 | 177.4 | -74.6 | -173.1 | 177.9 | 179.1 | 0 | 112.9 | ||
| 722 | S | 24.9 | Very low | 25.9 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -161.7 | 68.5 | 152.1 | 59.2 | 0 | 0 | 0 | 0 | 108.2 | G724 | S722-G724 PolarHBondContact O-N 2.89Š| ||
| 723 | T | 23.7 | Very low | 25.6 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -77.8 | 101.7 | 177.3 | 39.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 724 | G | 23.1 | Very low | 25.2 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -165.5 | 101.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | S722 | S722-G724 PolarHBondContact O-N 2.89Š|
| 725 | C | 21.4 | Very low | 25.1 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 91% | 0.905 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 81.5 | 62.3 | 177 | -144.2 | 0 | 0 | 0 | 0 | 117.5 | ||
| 726 | L | 22.7 | Very low | 25.3 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -148.2 | 67.6 | 149.3 | -98.1 | 168.4 | 0 | 0 | 0 | 107.4 | ||||
| 727 | Q | 22.3 | Very low | 25.7 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -123.2 | 69.8 | 172.4 | -81.9 | -171.3 | -8.3 | 0 | 0 | 110.1 | ||||
| 728 | T | 23 | Very low | 26.8 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -167.1 | 81.6 | 147.4 | 44.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 729 | L | 22.7 | Very low | 28.2 | Very low | 177 Ų | 177 | 148 Ų | 148 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -166.2 | 83.5 | 159 | -102.8 | 160.1 | 0 | 0 | 0 | 107.2 | ||||
| 730 | N | 21.5 | Very low | 29.7 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 132.1 | 165.7 | -146.8 | -4 | 0 | 0 | 0 | 107.8 | ||||
| 731 | R | 22.5 | Very low | 31.6 | Very low | 220 Ų | 220 | 139 Ų | 139 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 76.1 | 93.5 | 173.6 | -71.3 | -178.6 | 169 | 175.4 | -3.7 | 118.7 | ||
| 732 | N | 24.3 | Very low | 33.8 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | 175.7 | 117.1 | 98.1 | -83.8 | -19.7 | 0 | 0 | 0 | 110.2 | S734 | N732-S734 PolarHBondContact O-N 3.26Š| |||
| 733 | V | 27 | Very low | 36.4 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 95% | 0.952 | 69% | 0.692 | S | S | * | * | trans | -77.9 | 99 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 734 | S | 25.5 | Very low | 39 | Very low | 96 Ų | 96 | 119.7 Ų | 119.7 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | trans | -159.1 | 124.3 | 159.7 | 55.9 | 0 | 0 | 0 | 0 | 109.2 | N732 | N732-S734 PolarHBondContact O-N 3.26Š| ||
| 735 | N | 28.7 | Very low | 41.6 | Very low | 157 Ų | 157 | 118.8 Ų | 118.8 | 84% | 0.84 | 64% | 0.64 | S | S | * | * | trans | 73.6 | 83.2 | -176.4 | -57.4 | -13 | 0 | 0 | 0 | 114.7 | D737 | N735-D737 PolarHBondContact O-N 3.35Š| ||
| 736 | T | 32.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 112.4 Ų | 112.4 | 77% | 0.773 | 60% | 0.597 | S | S | * | * | trans | -53.1 | 120.6 | 162.5 | 38.5 | 0 | 0 | 0 | 0 | 110.6 | L738 | T736-L738 PolarHBondContact O-N 2.91Å; T736-L738 VanDerWaalsContact O-N 3.12Å | ||
| 737 | D | 41 | Very low | 47 | Very low | 128 Ų | 128 | 104.3 Ų | 104.3 | 68% | 0.684 | 56% | 0.555 | S | S | * | * | trans | -58.1 | 111 | 169.8 | -75.2 | -45.9 | 0 | 0 | 0 | 109.4 | N735 Y739 | N735-D737 PolarHBondContact O-N 3.35Å; D737-Y739 PolarHBondContact O-N 2.99Å | ||
| 738 | L | 52.2 | Low | 49.5 | Very low | 141 Ų | 141 | 97.2 Ų | 97.2 | 74% | 0.738 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -0.1 | -175.4 | -114.3 | 100.6 | 0 | 0 | 0 | 114.3 | T736 | T736-L738 PolarHBondContact O-N 2.91Å; T736-L738 VanDerWaalsContact O-N 3.12Å |
| 739 | Y | 57.6 | Low | 52 | Low | 76 Ų | 76 | 90.8 Ų | 90.8 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 41.9 | -165.9 | -59 | -68.3 | 0 | 0 | 0 | 113.8 | D737 F744 V777 D780 Y781 | D737-Y739 PolarHBondContact O-N 2.99Å; Y739-F744 AromaticContact CD1-CE1 3.78Å; Y739-F744 HydrophobicContact CD1-CE1 3.78Å; Y739-F744 AromaticContact CD1-CZ 3.87Å; Y739-F744 HydrophobicContact CD1-CZ 3.87Å; Y739-V777 HydrophobicContact CD1-CG1 4.27Å; Y739-V777 HydrophobicContact CE1-CG1 3.71Å; Y739-D780 PolarHBondContact OH-OD2 3.4Å; Y739-Y781 AromaticContact CD1-CD2 3.82Å; Y739-Y781 HydrophobicContact CD1-CD2 3.82Å; Y739-Y781 HydrophobicContact CD1-CG 4.45Å; Y739-Y781 HydrophobicContact CD2-CD2 4.45Å; Y739-Y781 HydrophobicContact CE1-CD2 4.39Å; Y739-Y781 AromaticContact CG-CD2 3.85Å; Y739-Y781 HydrophobicContact CG-CD2 3.85Å; Y739-Y781 HydrophobicContact CG-CE2 4.36Å |
| 740 | E | 56.8 | Low | 54.7 | Low | 163 Ų | 163 | 82.4 Ų | 82.4 | 76% | 0.762 | 44% | 0.439 | S | S | * | . | trans | -108.6 | 120.5 | 173.8 | -66.6 | -170.6 | 158.9 | 0 | 0 | 111.1 | ||||
| 741 | G | 66.3 | Low | 57.4 | Low | 23 Ų | 23 | 76.4 Ų | 76.4 | 24% | 0.237 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 171.1 | 158.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q743 F744 S745 | G741-Q743 PolarHBondContact O-N 3.34Å; G741-F744 PolarHBondContact O-N 2.94Å; G741-F744 VanDerWaalsContact O-N 3.08Å; G741-S745 PolarHBondContact O-N 2.58Å; G741-S745 PolarHBondContact O-OG 3.22Å |
| 742 | P | 71.2 | Confident | 59.8 | Low | 15 Ų | 15 | 71.1 Ų | 71.1 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.1 | -27.4 | -177.5 | 24.9 | -32.3 | 0 | 0 | 0 | 113 | L655 W669 L702 T706 S745 I746 | L655-P742 HydrophobicContact CD2-CB 4.43Å; W669-P742 HydrophobicContact CH2-CB 4.07Å; W669-P742 HydrophobicContact CZ2-CB 3.47Å; W669-P742 VanDerWaalsContact CZ2-CB 3.47Å; L702-P742 HydrophobicContact CB-CG 4.18Å; L702-P742 HydrophobicContact CD2-CB 4.09Å; L702-P742 HydrophobicContact CD2-CG 4.11Å; T706-P742 HydrophobicContact CG2-CG 3.83Å; P742-S745 PolarHBondContact O-N 3.02Å; P742-I746 PolarHBondContact O-N 2.95Å |
| 743 | Q | 77.9 | Confident | 62.3 | Low | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 171.8 | -71.2 | 177 | -16.9 | 0 | 0 | 111.6 | F699 L702 E703 G741 S745 I746 L747 H778 | F699-Q743 HydrophobicContact CD1-CG 4.45Å; F699-Q743 HydrophobicContact CD2-CG 4.36Å; F699-Q743 HydrophobicContact CE1-CB 4.33Å; F699-Q743 HydrophobicContact CE1-CG 4.15Å; F699-Q743 HydrophobicContact CE2-CB 3.93Å; F699-Q743 HydrophobicContact CE2-CG 4.05Å; F699-Q743 HydrophobicContact CZ-CB 3.71Å; F699-Q743 HydrophobicContact CZ-CG 3.94Å; F699-Q743 PolarHBondContact O-NE2 3.24Å; L702-Q743 HydrophobicContact CB-CG 3.92Å; E703-Q743 VanDerWaalsContact CB-NE2 3.28Å; G741-Q743 PolarHBondContact O-N 3.34Å; Q743-S745 VanDerWaalsContact C-N 3.32Å; Q743-S745 PolarHBondContact O-N 2.87Å; Q743-I746 PolarHBondContact O-N 3.43Å; Q743-L747 WeakPolarHBondContact O-CG 3.3Å; Q743-L747 PolarHBondContact O-N 3.19Å; Q743-H778 PolarHBondContact OE1-CE1 3.08Å; Q743-H778 PolarHBondContact OE1-NE2 3.33Å |
| 744 | F | 79 | Confident | 64.4 | Low | 22 Ų | 22 | 57 Ų | 57 | 10% | 0.096 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.4 | -31.5 | 178.3 | -61.3 | -75.1 | 0 | 0 | 0 | 112.2 | Y739 G741 L747 D748 V777 H778 Y781 | Y739-F744 AromaticContact CD1-CE1 3.78Å; Y739-F744 HydrophobicContact CD1-CE1 3.78Å; Y739-F744 AromaticContact CD1-CZ 3.87Å; Y739-F744 HydrophobicContact CD1-CZ 3.87Å; G741-F744 PolarHBondContact O-N 2.94Å; G741-F744 VanDerWaalsContact O-N 3.08Å; F744-L747 HydrophobicContact CD1-CD1 4.26Å; F744-L747 PolarHBondContact O-N 3.48Å; F744-D748 WeakPolarHBondContact O-CB 3.47Å; F744-D748 PolarHBondContact O-N 2.91Å; F744-V777 HydrophobicContact CZ-CG1 4.2Å; F744-H778 AromaticContact CE1-CD2 3.61Å; F744-H778 AromaticContact CZ-CD2 3.93Å; F744-Y781 AromaticContact CD1-CD1 3.93Å; F744-Y781 HydrophobicContact CD1-CD1 3.93Å; F744-Y781 HydrophobicContact CD1-CD2 4.08Å; F744-Y781 HydrophobicContact CD1-CE1 4.24Å; F744-Y781 HydrophobicContact CD1-CE2 4.36Å; F744-Y781 AromaticContact CD1-CG 3.84Å; F744-Y781 HydrophobicContact CD1-CG 3.84Å; F744-Y781 HydrophobicContact CE1-CD2 4.38Å; F744-Y781 HydrophobicContact CE1-CG 4.11Å |
| 745 | S | 76.7 | Confident | 66.5 | Low | 51 Ų | 51 | 55.1 Ų | 55.1 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 171.5 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | G741 P742 Q743 D748 A749 | G741-S745 PolarHBondContact O-N 2.58Å; G741-S745 PolarHBondContact O-OG 3.22Å; P742-S745 PolarHBondContact O-N 3.02Å; Q743-S745 VanDerWaalsContact C-N 3.32Å; Q743-S745 PolarHBondContact O-N 2.87Å; S745-D748 PolarHBondContact O-N 3.45Å; S745-A749 WeakPolarHBondContact O-CB 3.47Å; S745-A749 PolarHBondContact O-N 2.87Å |
| 746 | I | 79.8 | Confident | 68.3 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 171.9 | -71 | 166.2 | 0 | 0 | 0 | 110.6 | W669 L673 L694 F699 L702 P742 Q743 D748 A749 L750 | W669-I746 HydrophobicContact CH2-CD1 3.7Å; W669-I746 HydrophobicContact CH2-CG1 3.99Å; W669-I746 HydrophobicContact CZ2-CD1 4.26Å; W669-I746 HydrophobicContact CZ2-CG1 4.13Å; L673-I746 HydrophobicContact CD2-CG1 4.05Å; L694-I746 HydrophobicContact CD2-CD1 4.31Å; F699-I746 HydrophobicContact CE2-CG2 4.45Å; L702-I746 HydrophobicContact CD1-CD1 3.32Å; P742-I746 PolarHBondContact O-N 2.95Å; Q743-I746 PolarHBondContact O-N 3.43Å; I746-D748 VanDerWaalsContact C-N 3.32Å; I746-D748 PolarHBondContact O-N 3.46Å; I746-A749 WeakPolarHBondContact O-CB 3.28Å; I746-A749 PolarHBondContact O-N 3.2Å; I746-A749 VanDerWaalsContact O-N 3.1Å; I746-L750 HydrophobicContact CG2-CD1 3.87Å; I746-L750 HydrophobicContact CG2-CG 4.27Å; I746-L750 WeakPolarHBondContact O-CG 3.33Å; I746-L750 PolarHBondContact O-N 3.19Å |
| 747 | L | 79 | Confident | 69.5 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.9 | -66.6 | 177.6 | 0 | 0 | 0 | 111.7 | F699 Q743 F744 A749 Y751 F769 L774 H778 M782 | F699-L747 HydrophobicContact CE2-CD2 4.46Å; F699-L747 HydrophobicContact CE2-CG 4.49Å; F699-L747 HydrophobicContact CZ-CD1 4.35Å; F699-L747 HydrophobicContact CZ-CD2 4.19Å; F699-L747 HydrophobicContact CZ-CG 4.19Å; Q743-L747 WeakPolarHBondContact O-CG 3.3Å; Q743-L747 PolarHBondContact O-N 3.19Å; F744-L747 HydrophobicContact CD1-CD1 4.26Å; F744-L747 PolarHBondContact O-N 3.48Å; L747-A749 VanDerWaalsContact C-N 3.32Å; L747-Y751 VanDerWaalsContact O-CB 3.28Å; L747-Y751 WeakPolarHBondContact O-CB 3.44Å; L747-Y751 PolarHBondContact O-N 2.79Å; L747-F769 HydrophobicContact CD2-CD1 4.42Å; L747-F769 HydrophobicContact CD2-CE1 3.68Å; L747-L774 HydrophobicContact CD2-CD2 3.73Å; L747-H778 HydrophobicContact CD1-CB 3.93Å; L747-M782 HydrophobicContact CB-SD 3.98Å |
| 748 | D | 75.1 | Confident | 70.8 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 172.3 | -168.6 | 44.6 | 0 | 0 | 0 | 111.6 | F744 S745 I746 Y751 K752 K785 | F744-D748 WeakPolarHBondContact O-CB 3.47Å; F744-D748 PolarHBondContact O-N 2.91Å; S745-D748 PolarHBondContact O-N 3.45Å; I746-D748 VanDerWaalsContact C-N 3.32Å; I746-D748 PolarHBondContact O-N 3.46Å; D748-Y751 PolarHBondContact O-N 3.27Å; D748-K752 WeakPolarHBondContact O-CG 3.46Å; D748-K752 PolarHBondContact O-N 2.92Å; D748-K752 VanDerWaalsContact OD2-CE 3.25Å; D748-K752 WeakPolarHBondContact OD2-CE 3.46Å; D748-K752 IonicContact OD2-NZ 2.75Å; D748-K752 PolarHBondContact OD2-NZ 2.93Å; D748-K785 IonicContact OD1-NZ 3.85Å; D748-K785 PolarHBondContact OD1-NZ 2.92Å; D748-K785 IonicContact OD2-NZ 3.68Å |
| 749 | A | 74.8 | Confident | 71.5 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L673 I676 H677 S745 I746 L747 K752 L753 | L673-A749 HydrophobicContact CD2-CB 4.34Å; I676-A749 HydrophobicContact CB-CB 4.47Å; I676-A749 HydrophobicContact CG2-CB 4.04Å; H677-A749 WeakPolarHBondContact CE1-CA 3.44Å; H677-A749 PolarHBondContact CE1-O 3.24Å; H677-A749 VanDerWaalsContact CE1-O 3.25Å; H677-A749 PolarHBondContact ND1-O 3.32Å; S745-A749 WeakPolarHBondContact O-CB 3.47Å; S745-A749 PolarHBondContact O-N 2.87Å; I746-A749 WeakPolarHBondContact O-CB 3.28Å; I746-A749 PolarHBondContact O-N 3.2Å; I746-A749 VanDerWaalsContact O-N 3.1Å; L747-A749 VanDerWaalsContact C-N 3.32Å; A749-K752 PolarHBondContact O-N 2.68Å; A749-L753 PolarHBondContact O-N 3.13Å |
| 750 | L | 79.9 | Confident | 72 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 176.2 | -67.3 | 172.7 | 0 | 0 | 0 | 112.6 | I676 L691 I746 L753 G754 V768 F769 L772 | I676-L750 HydrophobicContact CG2-CD2 3.92Å; I676-L750 HydrophobicContact CG2-CG 4.46Å; L691-L750 HydrophobicContact CD2-CD2 4.12Å; I746-L750 HydrophobicContact CG2-CD1 3.87Å; I746-L750 HydrophobicContact CG2-CG 4.27Å; I746-L750 WeakPolarHBondContact O-CG 3.33Å; I746-L750 PolarHBondContact O-N 3.19Å; L750-L753 PolarHBondContact O-N 2.75Å; L750-G754 PolarHBondContact O-N 3.31Å; L750-V768 HydrophobicContact CD1-CG1 3.88Å; L750-V768 HydrophobicContact CD2-CG1 4.21Å; L750-F769 HydrophobicContact CB-CE1 4.13Å; L750-F769 HydrophobicContact CB-CE2 4.42Å; L750-F769 HydrophobicContact CB-CZ 3.74Å; L750-F769 HydrophobicContact CD1-CD1 4.29Å; L750-F769 HydrophobicContact CD1-CE1 3.83Å; L750-F769 HydrophobicContact CD1-CZ 4.28Å; L750-L772 HydrophobicContact CD1-CD1 3.78Å |
| 751 | Y | 77.3 | Confident | 72.7 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 174.6 | 177.3 | -98.6 | 0 | 0 | 0 | 111.2 | L747 D748 G754 H755 M782 K785 F842 | L747-Y751 VanDerWaalsContact O-CB 3.28Å; L747-Y751 WeakPolarHBondContact O-CB 3.44Å; L747-Y751 PolarHBondContact O-N 2.79Å; D748-Y751 PolarHBondContact O-N 3.27Å; Y751-G754 PolarHBondContact O-N 3.48Å; Y751-H755 AromaticContact CD2-CE1 3.72Å; Y751-H755 AromaticContact CE1-CE1 3.74Å; Y751-H755 AromaticContact CE1-ND1 3.93Å; Y751-H755 AromaticContact CE2-CE1 3.16Å; Y751-H755 WeakPolarHBondContact CE2-CE1 3.46Å; Y751-H755 AromaticContact CE2-ND1 3.92Å; Y751-H755 AromaticContact CE2-NE2 3.93Å; Y751-H755 AromaticContact CZ-CE1 3.16Å; Y751-H755 AromaticContact CZ-ND1 3.82Å; Y751-H755 AromaticContact CZ-NE2 3.58Å; Y751-H755 PolarHBondContact O-N 2.8Å; Y751-H755 PolarHBondContact O-ND1 3.49Å; Y751-H755 PolarHBondContact OH-CE1 3.39Å; Y751-H755 PolarHBondContact OH-NE2 3.1Å; Y751-M782 HydrophobicContact CD2-CE 3.95Å; Y751-K785 HydrophobicContact CE2-CB 4.39Å; Y751-K785 PolarHBondContact OH-O 2.89Å; Y751-F842 HydrophobicContact CD2-CD1 4.09Å; Y751-F842 AromaticContact CD2-CE1 3.42Å; Y751-F842 HydrophobicContact CD2-CE1 3.42Å; Y751-F842 VanDerWaalsContact CD2-CE1 3.42Å; Y751-F842 HydrophobicContact CD2-CE2 4.25Å; Y751-F842 AromaticContact CD2-CZ 3.56Å; Y751-F842 HydrophobicContact CD2-CZ 3.56Å; Y751-F842 AromaticContact CE2-CD1 3.94Å; Y751-F842 HydrophobicContact CE2-CD1 3.94Å; Y751-F842 AromaticContact CE2-CE1 3.69Å; Y751-F842 HydrophobicContact CE2-CE1 3.69Å; Y751-F842 HydrophobicContact CE2-CZ 4.26Å; Y751-F842 HydrophobicContact CG-CZ 4.49Å |
| 752 | K | 73.6 | Confident | 73 | Confident | 108 Ų | 108 | 41 Ų | 41 | 47% | 0.47 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 177.8 | -62.8 | 173.7 | -170.7 | 156.2 | 0 | 111.9 | D748 A749 G754 H755 S756 | D748-K752 WeakPolarHBondContact O-CG 3.46Å; D748-K752 PolarHBondContact O-N 2.92Å; D748-K752 VanDerWaalsContact OD2-CE 3.25Å; D748-K752 WeakPolarHBondContact OD2-CE 3.46Å; D748-K752 IonicContact OD2-NZ 2.75Å; D748-K752 PolarHBondContact OD2-NZ 2.93Å; A749-K752 PolarHBondContact O-N 2.68Å; K752-G754 VanDerWaalsContact C-N 3.32Å; K752-G754 PolarHBondContact O-N 3.03Å; K752-H755 PolarHBondContact O-N 3.48Å; K752-H755 VanDerWaalsContact O-N 3.1Å; K752-S756 PolarHBondContact O-N 2.76Å |
| 753 | L | 75.8 | Confident | 73.3 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 173.4 | -176.2 | 65.8 | 0 | 0 | 0 | 111 | A749 L750 H755 S756 D761 V765 | A749-L753 PolarHBondContact O-N 3.13Å; L750-L753 PolarHBondContact O-N 2.75Å; L753-H755 PolarHBondContact O-N 3.47Å; L753-S756 WeakPolarHBondContact O-CB 3.33Å; L753-S756 PolarHBondContact O-N 3.04Å; L753-S756 VanDerWaalsContact O-N 3.11Å; L753-S756 PolarHBondContact O-OG 3.15Å; L753-D761 HydrophobicContact CD1-CB 4.13Å; L753-D761 HydrophobicContact CG-CB 4.3Å; L753-V765 HydrophobicContact CB-CG2 4.08Å; L753-V765 HydrophobicContact CD2-CG2 3.63Å; L753-V765 HydrophobicContact CG-CG2 3.82Å |
| 754 | G | 71.9 | Confident | 73.1 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -13.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | L750 Y751 K752 | L750-G754 PolarHBondContact O-N 3.31Å; Y751-G754 PolarHBondContact O-N 3.48Å; K752-G754 VanDerWaalsContact C-N 3.32Å; K752-G754 PolarHBondContact O-N 3.03Å |
| 755 | H | 69.4 | Low | 73.1 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.8 | 174.1 | -73.7 | 68.4 | 0 | 0 | 0 | 113.1 | Y751 K752 L753 V838 F842 | Y751-H755 AromaticContact CD2-CE1 3.72Å; Y751-H755 AromaticContact CE1-CE1 3.74Å; Y751-H755 AromaticContact CE1-ND1 3.93Å; Y751-H755 AromaticContact CE2-CE1 3.16Å; Y751-H755 WeakPolarHBondContact CE2-CE1 3.46Å; Y751-H755 AromaticContact CE2-ND1 3.92Å; Y751-H755 AromaticContact CE2-NE2 3.93Å; Y751-H755 AromaticContact CZ-CE1 3.16Å; Y751-H755 AromaticContact CZ-ND1 3.82Å; Y751-H755 AromaticContact CZ-NE2 3.58Å; Y751-H755 PolarHBondContact O-N 2.8Å; Y751-H755 PolarHBondContact O-ND1 3.49Å; Y751-H755 PolarHBondContact OH-CE1 3.39Å; Y751-H755 PolarHBondContact OH-NE2 3.1Å; K752-H755 PolarHBondContact O-N 3.48Å; K752-H755 VanDerWaalsContact O-N 3.1Å; L753-H755 PolarHBondContact O-N 3.47Å; H755-V838 HydrophobicContact CB-CG1 4.24Å; H755-F842 AromaticContact CE1-CG 3.97Å |
| 756 | S | 66.2 | Low | 73.2 | Confident | 46 Ų | 46 | 44 Ų | 44 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -73.6 | 158.9 | 172.8 | 78.5 | 0 | 0 | 0 | 0 | 111 | K752 L753 G758 D761 | K752-S756 PolarHBondContact O-N 2.76Å; L753-S756 WeakPolarHBondContact O-CB 3.33Å; L753-S756 PolarHBondContact O-N 3.04Å; L753-S756 VanDerWaalsContact O-N 3.11Å; L753-S756 PolarHBondContact O-OG 3.15Å; S756-G758 PolarHBondContact O-N 3.11Å; S756-G758 VanDerWaalsContact O-N 3.09Å; S756-D761 PolarHBondContact OG-OD2 3.15Å |
| 757 | N | 58.4 | Low | 73.2 | Confident | 144 Ų | 144 | 50.9 Ų | 50.9 | 77% | 0.77 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -65.2 | -11.7 | -172.9 | -72.7 | -12.4 | 0 | 0 | 0 | 115 | Y834 | N757-Y834 PolarHBondContact OD1-OH 3.06Š|
| 758 | G | 67.1 | Low | 73.2 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 24% | 0.237 | 27% | 0.266 | C | S | . | . | trans | -86 | 122.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S756 S760 D761 F762 | S756-G758 PolarHBondContact O-N 3.11Å; S756-G758 VanDerWaalsContact O-N 3.09Å; G758-S760 VanDerWaalsContact C-N 3.26Å; G758-S760 PolarHBondContact O-N 3.43Å; G758-D761 WeakPolarHBondContact O-CB 3.36Å; G758-D761 PolarHBondContact O-N 2.96Å; G758-D761 VanDerWaalsContact O-N 3.15Å; G758-F762 PolarHBondContact O-N 3.33Å; G758-F762 VanDerWaalsContact O-N 3.16Å | ||
| 759 | Q | 68.4 | Low | 73.4 | Confident | 153 Ų | 153 | 49.4 Ų | 49.4 | 72% | 0.715 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.8 | -33.3 | 172.2 | -171.8 | 163.9 | -3.1 | 0 | 0 | 112.2 | D761 F762 D763 | Q759-D761 VanDerWaalsContact C-N 3.29Å; Q759-D761 PolarHBondContact O-N 3.34Å; Q759-F762 PolarHBondContact O-N 2.85Å; Q759-D763 PolarHBondContact O-N 2.9Å |
| 760 | S | 67.7 | Low | 73.5 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 57% | 0.573 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.5 | -40.9 | 171.6 | 52 | 0 | 0 | 0 | 0 | 112.5 | G758 D763 S764 | G758-S760 VanDerWaalsContact C-N 3.26Å; G758-S760 PolarHBondContact O-N 3.43Å; S760-D763 PolarHBondContact O-N 2.89Å; S760-S764 WeakPolarHBondContact O-CB 3.45Å; S760-S764 PolarHBondContact O-N 3.45Å |
| 761 | D | 71.1 | Confident | 73.5 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.4 | -43.7 | -177.8 | -61 | -0.5 | 0 | 0 | 0 | 108.8 | L753 S756 G758 Q759 D763 S764 V765 | L753-D761 HydrophobicContact CD1-CB 4.13Å; L753-D761 HydrophobicContact CG-CB 4.3Å; S756-D761 PolarHBondContact OG-OD2 3.15Å; G758-D761 WeakPolarHBondContact O-CB 3.36Å; G758-D761 PolarHBondContact O-N 2.96Å; G758-D761 VanDerWaalsContact O-N 3.15Å; Q759-D761 VanDerWaalsContact C-N 3.29Å; Q759-D761 PolarHBondContact O-N 3.34Å; D761-D763 PolarHBondContact O-N 2.91Å; D761-S764 PolarHBondContact O-N 3.22Å; D761-S764 PolarHBondContact O-OG 3.48Å; D761-V765 VanDerWaalsContact O-CG2 3.27Å; D761-V765 WeakPolarHBondContact O-CG2 3.28Å; D761-V765 PolarHBondContact O-N 2.96Å |
| 762 | F | 73.2 | Confident | 73.4 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 174.4 | -169.8 | -91.8 | 0 | 0 | 0 | 112.8 | G758 Q759 S764 V765 H766 R841 M845 | G758-F762 PolarHBondContact O-N 3.33Å; G758-F762 VanDerWaalsContact O-N 3.16Å; Q759-F762 PolarHBondContact O-N 2.85Å; F762-S764 VanDerWaalsContact C-N 3.33Å; F762-S764 PolarHBondContact O-N 2.93Å; F762-V765 PolarHBondContact O-N 3.39Å; F762-H766 PolarHBondContact O-N 3.39Å; F762-R841 HydrophobicContact CE2-CB 4.29Å; F762-R841 HydrophobicContact CZ-CB 4.32Å; F762-R841 WeakPolarHBondContact CZ-O 3.05Å; F762-M845 HydrophobicContact CE1-CB 4.26Å; F762-M845 HydrophobicContact CE1-SD 4.2Å; F762-M845 HydrophobicContact CE2-CB 4.44Å; F762-M845 HydrophobicContact CE2-CE 3.98Å; F762-M845 HydrophobicContact CE2-SD 4.21Å; F762-M845 HydrophobicContact CZ-CB 3.64Å; F762-M845 HydrophobicContact CZ-CE 4.21Å; F762-M845 HydrophobicContact CZ-CG 4.38Å; F762-M845 HydrophobicContact CZ-SD 3.92Å |
| 763 | D | 76.9 | Confident | 73.5 | Confident | 80 Ų | 80 | 53.5 Ų | 53.5 | 43% | 0.428 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 177.8 | -72.5 | -18.3 | 0 | 0 | 0 | 112 | Q759 S760 D761 H766 K767 | Q759-D763 PolarHBondContact O-N 2.9Å; S760-D763 PolarHBondContact O-N 2.89Å; D761-D763 PolarHBondContact O-N 2.91Å; D763-H766 PolarHBondContact O-N 3.29Å; D763-K767 WeakPolarHBondContact O-CG 3.49Å; D763-K767 PolarHBondContact O-N 3.33Å |
| 764 | S | 73.3 | Confident | 73.5 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 175.1 | 79 | 0 | 0 | 0 | 0 | 111.6 | S760 D761 F762 H766 K767 V768 | S760-S764 WeakPolarHBondContact O-CB 3.45Å; S760-S764 PolarHBondContact O-N 3.45Å; D761-S764 PolarHBondContact O-N 3.22Å; D761-S764 PolarHBondContact O-OG 3.48Å; F762-S764 VanDerWaalsContact C-N 3.33Å; F762-S764 PolarHBondContact O-N 2.93Å; S764-H766 PolarHBondContact O-N 3.34Å; S764-K767 PolarHBondContact O-N 2.92Å; S764-V768 VanDerWaalsContact O-CG2 3.32Å; S764-V768 WeakPolarHBondContact O-CG2 3.35Å; S764-V768 PolarHBondContact O-N 3.02Å |
| 765 | V | 79.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L753 D761 F762 K767 V768 F769 M845 | L753-V765 HydrophobicContact CB-CG2 4.08Å; L753-V765 HydrophobicContact CD2-CG2 3.63Å; L753-V765 HydrophobicContact CG-CG2 3.82Å; D761-V765 VanDerWaalsContact O-CG2 3.27Å; D761-V765 WeakPolarHBondContact O-CG2 3.28Å; D761-V765 PolarHBondContact O-N 2.96Å; F762-V765 PolarHBondContact O-N 3.39Å; V765-K767 PolarHBondContact O-N 2.98Å; V765-V768 PolarHBondContact O-N 3.01Å; V765-F769 HydrophobicContact CG1-CD2 3.46Å; V765-F769 VanDerWaalsContact CG1-CD2 3.46Å; V765-F769 HydrophobicContact CG1-CE2 3.26Å; V765-F769 HydrophobicContact CG1-CZ 4.23Å; V765-F769 WeakPolarHBondContact O-CD2 3.36Å; V765-F769 PolarHBondContact O-N 2.92Å; V765-M845 HydrophobicContact CG1-CE 3.79Å; V765-M845 HydrophobicContact CG1-SD 4.27Å |
| 766 | H | 79.2 | Confident | 73.7 | Confident | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 174.6 | -173.7 | -78.2 | 0 | 0 | 0 | 112.1 | F762 D763 S764 V768 S770 M845 | F762-H766 PolarHBondContact O-N 3.39Å; D763-H766 PolarHBondContact O-N 3.29Å; S764-H766 PolarHBondContact O-N 3.34Å; H766-V768 VanDerWaalsContact C-N 3.32Å; H766-V768 PolarHBondContact O-N 3.44Å; H766-S770 WeakPolarHBondContact O-CB 3.3Å; H766-S770 PolarHBondContact O-N 3.48Å; H766-S770 VanDerWaalsContact O-N 3.13Å; H766-S770 PolarHBondContact O-OG 3.09Å; H766-M845 HydrophobicContact CB-SD 3.7Å |
| 767 | K | 79.2 | Confident | 73.9 | Confident | 143 Ų | 143 | 54.7 Ų | 54.7 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.4 | -34.7 | 176.1 | -73.3 | 175.1 | -176 | 176.5 | 0 | 112.6 | D763 S764 V765 S770 R771 | D763-K767 WeakPolarHBondContact O-CG 3.49Å; D763-K767 PolarHBondContact O-N 3.33Å; S764-K767 PolarHBondContact O-N 2.92Å; V765-K767 PolarHBondContact O-N 2.98Å; K767-S770 WeakPolarHBondContact CA-OG 3.37Å; K767-S770 PolarHBondContact O-OG 3.49Å; K767-R771 WeakPolarHBondContact O-CD 3.48Å; K767-R771 VanDerWaalsContact O-CG 3.26Å; K767-R771 WeakPolarHBondContact O-CG 3.25Å |
| 768 | V | 80.2 | Confident | 74.8 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.8 | -48.1 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | L691 L694 L750 S764 V765 H766 S770 R771 L772 | L691-V768 HydrophobicContact CB-CG2 3.93Å; L691-V768 HydrophobicContact CD2-CG2 4.14Å; L691-V768 HydrophobicContact CG-CG2 4.42Å; L694-V768 HydrophobicContact CB-CG1 4.11Å; L694-V768 HydrophobicContact CD1-CG1 3.89Å; L750-V768 HydrophobicContact CD1-CG1 3.88Å; L750-V768 HydrophobicContact CD2-CG1 4.21Å; S764-V768 VanDerWaalsContact O-CG2 3.32Å; S764-V768 WeakPolarHBondContact O-CG2 3.35Å; S764-V768 PolarHBondContact O-N 3.02Å; V765-V768 PolarHBondContact O-N 3.01Å; H766-V768 VanDerWaalsContact C-N 3.32Å; H766-V768 PolarHBondContact O-N 3.44Å; V768-S770 VanDerWaalsContact C-N 3.29Å; V768-S770 PolarHBondContact O-N 2.93Å; V768-R771 WeakPolarHBondContact O-CA 3.49Å; V768-R771 WeakPolarHBondContact O-CB 3.27Å; V768-R771 PolarHBondContact O-N 3.36Å; V768-L772 HydrophobicContact CG1-CD1 3.81Å; V768-L772 HydrophobicContact CG1-CG 4.05Å; V768-L772 WeakPolarHBondContact O-CG 3.49Å; V768-L772 PolarHBondContact O-N 3.1Å |
| 769 | F | 79.5 | Confident | 75.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -35.8 | 179.4 | -78.4 | -47 | 0 | 0 | 0 | 113.3 | L747 L750 V765 R771 L772 L774 M782 F842 M845 I849 | L747-F769 HydrophobicContact CD2-CD1 4.42Å; L747-F769 HydrophobicContact CD2-CE1 3.68Å; L750-F769 HydrophobicContact CB-CE1 4.13Å; L750-F769 HydrophobicContact CB-CE2 4.42Å; L750-F769 HydrophobicContact CB-CZ 3.74Å; L750-F769 HydrophobicContact CD1-CD1 4.29Å; L750-F769 HydrophobicContact CD1-CE1 3.83Å; L750-F769 HydrophobicContact CD1-CZ 4.28Å; V765-F769 HydrophobicContact CG1-CD2 3.46Å; V765-F769 VanDerWaalsContact CG1-CD2 3.46Å; V765-F769 HydrophobicContact CG1-CE2 3.26Å; V765-F769 HydrophobicContact CG1-CZ 4.23Å; V765-F769 WeakPolarHBondContact O-CD2 3.36Å; V765-F769 PolarHBondContact O-N 2.92Å; F769-R771 PolarHBondContact O-N 2.8Å; F769-L772 HydrophobicContact CD1-CD1 4.24Å; F769-L772 PolarHBondContact O-N 3.4Å; F769-L774 HydrophobicContact CD1-CD1 3.9Å; F769-L774 HydrophobicContact CE1-CD1 4.39Å; F769-M782 HydrophobicContact CZ-CE 3.93Å; F769-F842 HydrophobicContact CE2-CE2 4.05Å; F769-F842 HydrophobicContact CE2-CZ 4Å; F769-F842 HydrophobicContact CZ-CZ 4.4Å; F769-M845 HydrophobicContact CD2-CE 4.06Å; F769-M845 HydrophobicContact CD2-SD 4.42Å; F769-M845 HydrophobicContact CE2-CE 4.07Å; F769-I849 HydrophobicContact CB-CD1 3.53Å; F769-I849 HydrophobicContact CD2-CD1 4.25Å; F769-I849 HydrophobicContact CG-CD1 4.27Å |
| 770 | S | 77 | Confident | 75.4 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.5 | -26.7 | 173.9 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | H766 K767 V768 | H766-S770 WeakPolarHBondContact O-CB 3.3Å; H766-S770 PolarHBondContact O-N 3.48Å; H766-S770 VanDerWaalsContact O-N 3.13Å; H766-S770 PolarHBondContact O-OG 3.09Å; K767-S770 WeakPolarHBondContact CA-OG 3.37Å; K767-S770 PolarHBondContact O-OG 3.49Å; V768-S770 VanDerWaalsContact C-N 3.29Å; V768-S770 PolarHBondContact O-N 2.93Å |
| 771 | R | 79 | Confident | 75.6 | Confident | 107 Ų | 107 | 39.2 Ų | 39.2 | 40% | 0.404 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -86.4 | -26.1 | 176.3 | -68.9 | 173.7 | 70.5 | -156.5 | 0.3 | 114.4 | S692 P696 K767 V768 F769 H773 | S692-R771 PolarHBondContact O-NH1 3.47Å; S692-R771 PolarHBondContact O-NH2 3.14Å; P696-R771 WeakPolarHBondContact CB-O 3.29Å; P696-R771 WeakPolarHBondContact CD-O 3.26Å; P696-R771 WeakPolarHBondContact CG-O 3.49Å; K767-R771 WeakPolarHBondContact O-CD 3.48Å; K767-R771 VanDerWaalsContact O-CG 3.26Å; K767-R771 WeakPolarHBondContact O-CG 3.25Å; V768-R771 WeakPolarHBondContact O-CA 3.49Å; V768-R771 WeakPolarHBondContact O-CB 3.27Å; V768-R771 PolarHBondContact O-N 3.36Å; F769-R771 PolarHBondContact O-N 2.8Å; R771-H773 VanDerWaalsContact C-N 3.33Å; R771-H773 PolarHBondContact O-CD2 3.48Å; R771-H773 VanDerWaalsContact O-CD2 3.28Å; R771-H773 PolarHBondContact O-N 3.49Å |
| 772 | L | 76.3 | Confident | 76 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.3 | -13.4 | -171.5 | -75.9 | 175.5 | 0 | 0 | 0 | 115.4 | L694 F699 L750 V768 F769 L774 | L694-L772 HydrophobicContact CB-CD2 4.19Å; F699-L772 HydrophobicContact CB-CD2 3.8Å; F699-L772 HydrophobicContact CD2-CD1 4.47Å; F699-L772 HydrophobicContact CD2-CD2 3.79Å; F699-L772 HydrophobicContact CG-CD2 3.89Å; L750-L772 HydrophobicContact CD1-CD1 3.78Å; V768-L772 HydrophobicContact CG1-CD1 3.81Å; V768-L772 HydrophobicContact CG1-CG 4.05Å; V768-L772 WeakPolarHBondContact O-CG 3.49Å; V768-L772 PolarHBondContact O-N 3.1Å; F769-L772 HydrophobicContact CD1-CD1 4.24Å; F769-L772 PolarHBondContact O-N 3.4Å; L772-L774 HydrophobicContact CB-CD2 4.08Å |
| 773 | H | 74.8 | Confident | 76.1 | Confident | 78 Ų | 78 | 36 Ų | 36 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | trans | 51.7 | 56.1 | -177.1 | -71.5 | -99.3 | 0 | 0 | 0 | 113.8 | P696 R771 R856 | P696-H773 HydrophobicContact CB-CB 3.92Å; P696-H773 VanDerWaalsContact CB-CD2 3.49Å; P696-H773 WeakPolarHBondContact CB-CD2 3.49Å; R771-H773 VanDerWaalsContact C-N 3.33Å; R771-H773 PolarHBondContact O-CD2 3.48Å; R771-H773 VanDerWaalsContact O-CD2 3.28Å; R771-H773 PolarHBondContact O-N 3.49Å; H773-R856 PolarHBondContact CE1-NH1 3.32Å | ||
| 774 | L | 76.8 | Confident | 75.6 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | trans | -57.5 | 136.1 | 179 | -55.9 | 179.2 | 0 | 0 | 0 | 112.6 | F699 L747 F769 L772 H778 F779 L857 | F699-L774 HydrophobicContact CE1-CD2 4.15Å; F699-L774 HydrophobicContact CZ-CD2 4.18Å; L747-L774 HydrophobicContact CD2-CD2 3.73Å; F769-L774 HydrophobicContact CD1-CD1 3.9Å; F769-L774 HydrophobicContact CE1-CD1 4.39Å; L772-L774 HydrophobicContact CB-CD2 4.08Å; L774-H778 HydrophobicContact CB-CB 4.1Å; L774-H778 HydrophobicContact CD2-CB 4.19Å; L774-F779 HydrophobicContact CB-CD2 4.13Å; L774-F779 HydrophobicContact CB-CE1 4.48Å; L774-F779 HydrophobicContact CB-CE2 3.71Å; L774-F779 HydrophobicContact CB-CZ 3.9Å; L774-F779 HydrophobicContact CD1-CE1 4.19Å; L774-F779 HydrophobicContact CD1-CZ 4.31Å; L774-F779 VanDerWaalsContact O-CE2 3.27Å; L774-F779 WeakPolarHBondContact O-CE2 3.4Å; L774-L857 VanDerWaalsContact O-CD2 3.26Å; L774-L857 WeakPolarHBondContact O-CD2 3.18Å | ||
| 775 | N | 74.1 | Confident | 75.3 | Confident | 52 Ų | 52 | 34.5 Ų | 34.5 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | trans | -87.4 | 170.7 | 172.7 | 24.2 | -30.1 | 0 | 0 | 0 | 111.9 | V777 H778 F779 | N775-V777 VanDerWaalsContact C-N 3.33Å; N775-V777 PolarHBondContact O-N 3.5Å; N775-H778 VanDerWaalsContact CG-ND1 3.32Å; N775-H778 WeakPolarHBondContact O-CB 3.35Å; N775-H778 PolarHBondContact O-N 3.47Å; N775-H778 VanDerWaalsContact O-N 3.09Å; N775-H778 PolarHBondContact OD1-CE1 3.01Å; N775-H778 PolarHBondContact OD1-ND1 3.41Å; N775-F779 WeakPolarHBondContact O-CD2 3.38Å; N775-F779 PolarHBondContact O-N 3.14Å; N775-F779 VanDerWaalsContact O-N 3.1Å | ||
| 776 | T | 70.7 | Confident | 74.9 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.3 | -43.8 | -177.2 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | H778 F779 D780 L857 P900 M901 L904 | T776-H778 VanDerWaalsContact C-N 3.33Å; T776-H778 PolarHBondContact O-N 3.47Å; T776-F779 PolarHBondContact O-N 3.3Å; T776-D780 PolarHBondContact O-N 2.97Å; T776-L857 HydrophobicContact CG2-CD1 4.21Å; T776-L857 HydrophobicContact CG2-CD2 4.25Å; T776-P900 HydrophobicContact CG2-CB 4.2Å; T776-M901 HydrophobicContact CG2-CG 4.04Å; T776-M901 HydrophobicContact CG2-SD 3.99Å; T776-L904 HydrophobicContact CG2-CD1 4.19Å |
| 777 | V | 69.7 | Low | 74.3 | Confident | 60 Ų | 60 | 32.1 Ų | 32.1 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64 | -37.3 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | Y739 F744 N775 D780 Y781 | Y739-V777 HydrophobicContact CD1-CG1 4.27Å; Y739-V777 HydrophobicContact CE1-CG1 3.71Å; F744-V777 HydrophobicContact CZ-CG1 4.2Å; N775-V777 VanDerWaalsContact C-N 3.33Å; N775-V777 PolarHBondContact O-N 3.5Å; V777-D780 PolarHBondContact O-N 3.18Å; V777-Y781 WeakPolarHBondContact O-CB 3.38Å; V777-Y781 PolarHBondContact O-N 2.92Å |
| 778 | H | 77.9 | Confident | 73.3 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 176 | -63.1 | 139.9 | 0 | 0 | 0 | 111.6 | F699 Q743 F744 L747 L774 N775 T776 Y781 M782 | F699-H778 AromaticContact CE1-CE1 3.51Å; F699-H778 AromaticContact CE1-ND1 3.7Å; Q743-H778 PolarHBondContact OE1-CE1 3.08Å; Q743-H778 PolarHBondContact OE1-NE2 3.33Å; F744-H778 AromaticContact CE1-CD2 3.61Å; F744-H778 AromaticContact CZ-CD2 3.93Å; L747-H778 HydrophobicContact CD1-CB 3.93Å; L774-H778 HydrophobicContact CB-CB 4.1Å; L774-H778 HydrophobicContact CD2-CB 4.19Å; N775-H778 VanDerWaalsContact CG-ND1 3.32Å; N775-H778 WeakPolarHBondContact O-CB 3.35Å; N775-H778 PolarHBondContact O-N 3.47Å; N775-H778 VanDerWaalsContact O-N 3.09Å; N775-H778 PolarHBondContact OD1-CE1 3.01Å; N775-H778 PolarHBondContact OD1-ND1 3.41Å; T776-H778 VanDerWaalsContact C-N 3.33Å; T776-H778 PolarHBondContact O-N 3.47Å; H778-Y781 PolarHBondContact O-N 2.86Å; H778-M782 WeakPolarHBondContact O-CB 3.21Å; H778-M782 VanDerWaalsContact O-CG 3.22Å; H778-M782 WeakPolarHBondContact O-CG 3.1Å; H778-M782 PolarHBondContact O-N 3.06Å |
| 779 | F | 78.9 | Confident | 72 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 174.6 | -78.2 | -67.4 | 0 | 0 | 0 | 112 | L774 N775 T776 Y781 M782 F783 I849 L850 A853 L857 L904 | L774-F779 HydrophobicContact CB-CD2 4.13Å; L774-F779 HydrophobicContact CB-CE1 4.48Å; L774-F779 HydrophobicContact CB-CE2 3.71Å; L774-F779 HydrophobicContact CB-CZ 3.9Å; L774-F779 HydrophobicContact CD1-CE1 4.19Å; L774-F779 HydrophobicContact CD1-CZ 4.31Å; L774-F779 VanDerWaalsContact O-CE2 3.27Å; L774-F779 WeakPolarHBondContact O-CE2 3.4Å; N775-F779 WeakPolarHBondContact O-CD2 3.38Å; N775-F779 PolarHBondContact O-N 3.14Å; N775-F779 VanDerWaalsContact O-N 3.1Å; T776-F779 PolarHBondContact O-N 3.3Å; F779-Y781 PolarHBondContact O-N 3.17Å; F779-M782 PolarHBondContact O-N 3.48Å; F779-F783 HydrophobicContact CB-CD2 4.29Å; F779-F783 HydrophobicContact CB-CE2 4.06Å; F779-F783 HydrophobicContact CD1-CE2 4.32Å; F779-F783 WeakPolarHBondContact O-CD2 3.34Å; F779-F783 PolarHBondContact O-N 3.08Å; F779-I849 HydrophobicContact CE1-CG2 4.25Å; F779-I849 HydrophobicContact CZ-CG2 4.11Å; F779-L850 HydrophobicContact CB-CD1 4.36Å; F779-L850 HydrophobicContact CD1-CB 4.24Å; F779-L850 HydrophobicContact CD1-CD1 3.91Å; F779-L850 HydrophobicContact CD2-CD1 3.74Å; F779-L850 HydrophobicContact CE1-CB 3.92Å; F779-L850 HydrophobicContact CE1-CD1 4.06Å; F779-L850 HydrophobicContact CE2-CD1 3.88Å; F779-L850 HydrophobicContact CG-CD1 3.75Å; F779-L850 HydrophobicContact CZ-CB 4.32Å; F779-L850 HydrophobicContact CZ-CD1 4.05Å; F779-A853 HydrophobicContact CE2-CB 3.96Å; F779-A853 HydrophobicContact CZ-CB 3.88Å; F779-L857 HydrophobicContact CD2-CD1 4.32Å; F779-L857 HydrophobicContact CD2-CD2 4.38Å; F779-L857 HydrophobicContact CE2-CD1 4.35Å; F779-L857 HydrophobicContact CE2-CD2 4.29Å; F779-L904 HydrophobicContact CB-CD1 4.45Å; F779-L904 HydrophobicContact CB-CD2 3.93Å |
| 780 | D | 69.9 | Low | 70.5 | Confident | 37 Ų | 37 | 32.3 Ų | 32.3 | 20% | 0.198 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -47.7 | 177.2 | -169 | 37.7 | 0 | 0 | 0 | 111.2 | Y739 T776 V777 M782 F783 I784 L904 | Y739-D780 PolarHBondContact OH-OD2 3.4Å; T776-D780 PolarHBondContact O-N 2.97Å; V777-D780 PolarHBondContact O-N 3.18Å; D780-M782 VanDerWaalsContact C-N 3.33Å; D780-M782 PolarHBondContact O-N 3.4Å; D780-F783 PolarHBondContact O-N 2.9Å; D780-I784 WeakPolarHBondContact O-CB 3.38Å; D780-I784 WeakPolarHBondContact O-CD1 3.27Å; D780-I784 WeakPolarHBondContact O-CG1 3.29Å; D780-I784 PolarHBondContact O-N 3.34Å; D780-L904 HydrophobicContact CB-CD2 4.09Å |
| 781 | Y | 71.2 | Confident | 69.2 | Low | 35 Ų | 35 | 34 Ų | 34 | 14% | 0.137 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.8 | -45 | 174.4 | -179 | -97.3 | 0 | 0 | 0 | 112.8 | Y739 F744 V777 H778 F779 I784 K785 | Y739-Y781 AromaticContact CD1-CD2 3.82Å; Y739-Y781 HydrophobicContact CD1-CD2 3.82Å; Y739-Y781 HydrophobicContact CD1-CG 4.45Å; Y739-Y781 HydrophobicContact CD2-CD2 4.45Å; Y739-Y781 HydrophobicContact CE1-CD2 4.39Å; Y739-Y781 AromaticContact CG-CD2 3.85Å; Y739-Y781 HydrophobicContact CG-CD2 3.85Å; Y739-Y781 HydrophobicContact CG-CE2 4.36Å; F744-Y781 AromaticContact CD1-CD1 3.93Å; F744-Y781 HydrophobicContact CD1-CD1 3.93Å; F744-Y781 HydrophobicContact CD1-CD2 4.08Å; F744-Y781 HydrophobicContact CD1-CE1 4.24Å; F744-Y781 HydrophobicContact CD1-CE2 4.36Å; F744-Y781 AromaticContact CD1-CG 3.84Å; F744-Y781 HydrophobicContact CD1-CG 3.84Å; F744-Y781 HydrophobicContact CE1-CD2 4.38Å; F744-Y781 HydrophobicContact CE1-CG 4.11Å; V777-Y781 WeakPolarHBondContact O-CB 3.38Å; V777-Y781 PolarHBondContact O-N 2.92Å; H778-Y781 PolarHBondContact O-N 2.86Å; F779-Y781 PolarHBondContact O-N 3.17Å; Y781-I784 PolarHBondContact O-N 3.25Å; Y781-K785 HydrophobicContact CE1-CD 3.92Å; Y781-K785 HydrophobicContact CE1-CG 4.49Å; Y781-K785 PolarHBondContact O-N 3.48Å; Y781-K785 WeakPolarHBondContact OH-CE 3.4Å; Y781-K785 PolarHBondContact OH-NZ 3.12Å |
| 782 | M | 78.3 | Confident | 67.6 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 179.7 | -68.8 | -58 | -65 | 0 | 0 | 112.6 | L747 Y751 F769 H778 F779 D780 K785 A786 F842 L846 | L747-M782 HydrophobicContact CB-SD 3.98Å; Y751-M782 HydrophobicContact CD2-CE 3.95Å; F769-M782 HydrophobicContact CZ-CE 3.93Å; H778-M782 WeakPolarHBondContact O-CB 3.21Å; H778-M782 VanDerWaalsContact O-CG 3.22Å; H778-M782 WeakPolarHBondContact O-CG 3.1Å; H778-M782 PolarHBondContact O-N 3.06Å; F779-M782 PolarHBondContact O-N 3.48Å; D780-M782 VanDerWaalsContact C-N 3.33Å; D780-M782 PolarHBondContact O-N 3.4Å; M782-K785 PolarHBondContact O-N 3.06Å; M782-A786 WeakPolarHBondContact O-CB 3.42Å; M782-A786 PolarHBondContact O-N 3.44Å; M782-F842 HydrophobicContact CE-CE1 3.62Å; M782-F842 HydrophobicContact CE-CZ 3.36Å; M782-L846 HydrophobicContact CB-CD1 4.08Å; M782-L846 HydrophobicContact CB-CD2 4.13Å; M782-L846 HydrophobicContact CE-CD2 4.27Å |
| 783 | F | 76.2 | Confident | 66 | Low | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68 | -36 | 174.8 | -74.9 | -57.9 | 0 | 0 | 0 | 112.6 | F779 D780 K785 A786 D787 L843 L846 L847 L850 L904 P907 L908 H911 | F779-F783 HydrophobicContact CB-CD2 4.29Å; F779-F783 HydrophobicContact CB-CE2 4.06Å; F779-F783 HydrophobicContact CD1-CE2 4.32Å; F779-F783 WeakPolarHBondContact O-CD2 3.34Å; F779-F783 PolarHBondContact O-N 3.08Å; D780-F783 PolarHBondContact O-N 2.9Å; F783-K785 VanDerWaalsContact C-N 3.33Å; F783-A786 PolarHBondContact O-N 3.3Å; F783-D787 PolarHBondContact O-N 3.26Å; F783-L843 HydrophobicContact CD1-CD1 4.03Å; F783-L843 HydrophobicContact CE1-CD1 4.02Å; F783-L846 HydrophobicContact CE1-CB 4.23Å; F783-L847 HydrophobicContact CE1-CD2 4.08Å; F783-L847 HydrophobicContact CE1-CG 4.49Å; F783-L847 HydrophobicContact CZ-CD2 4.26Å; F783-L850 HydrophobicContact CE2-CD2 3.81Å; F783-L850 HydrophobicContact CZ-CB 4.47Å; F783-L850 HydrophobicContact CZ-CD2 3.77Å; F783-L904 HydrophobicContact CD2-CD2 4.24Å; F783-L904 HydrophobicContact CE2-CD2 4.46Å; F783-P907 HydrophobicContact CB-CB 4.27Å; F783-L908 HydrophobicContact CD1-CD2 4.47Å; F783-L908 HydrophobicContact CE1-CD2 3.93Å; F783-L908 HydrophobicContact CE2-CD2 4.18Å; F783-L908 HydrophobicContact CZ-CD2 3.78Å; F783-H911 PolarHBondContact O-NE2 2.86Å; F783-H911 VanDerWaalsContact O-NE2 3.09Å |
| 784 | I | 67.3 | Low | 64.5 | Low | 26 Ų | 26 | 37.7 Ų | 37.7 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 174.2 | -69.7 | 166.1 | 0 | 0 | 0 | 110.6 | D780 Y781 D787 R790 | D780-I784 WeakPolarHBondContact O-CB 3.38Å; D780-I784 WeakPolarHBondContact O-CD1 3.27Å; D780-I784 WeakPolarHBondContact O-CG1 3.29Å; D780-I784 PolarHBondContact O-N 3.34Å; Y781-I784 PolarHBondContact O-N 3.25Å; I784-D787 WeakPolarHBondContact O-CB 3.2Å; I784-R790 WeakPolarHBondContact O-CD 3.37Å |
| 785 | K | 66.8 | Low | 63 | Low | 41 Ų | 41 | 41.2 Ų | 41.2 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.2 | -33.1 | 174.1 | -86.4 | -162.5 | 166.4 | 173.5 | 0 | 113.8 | D748 Y751 Y781 M782 F783 D787 | D748-K785 IonicContact OD1-NZ 3.85Å; D748-K785 PolarHBondContact OD1-NZ 2.92Å; D748-K785 IonicContact OD2-NZ 3.68Å; Y751-K785 HydrophobicContact CE2-CB 4.39Å; Y751-K785 PolarHBondContact OH-O 2.89Å; Y781-K785 HydrophobicContact CE1-CD 3.92Å; Y781-K785 HydrophobicContact CE1-CG 4.49Å; Y781-K785 PolarHBondContact O-N 3.48Å; Y781-K785 WeakPolarHBondContact OH-CE 3.4Å; Y781-K785 PolarHBondContact OH-NZ 3.12Å; M782-K785 PolarHBondContact O-N 3.06Å; F783-K785 VanDerWaalsContact C-N 3.33Å; K785-D787 PolarHBondContact O-N 3.38Å |
| 786 | A | 70.7 | Confident | 61.8 | Low | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -1.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M782 F783 R839 L846 | M782-A786 WeakPolarHBondContact O-CB 3.42Å; M782-A786 PolarHBondContact O-N 3.44Å; F783-A786 PolarHBondContact O-N 3.3Å; A786-R839 WeakPolarHBondContact O-CD 3.32Å; A786-R839 PolarHBondContact O-NH1 2.88Å; A786-R839 VanDerWaalsContact O-NH1 3.09Å; A786-L846 HydrophobicContact CB-CD1 4.37Å |
| 787 | D | 65.6 | Low | 60.8 | Low | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | trans | -67 | 125.1 | -178.4 | -172.5 | -23.4 | 0 | 0 | 0 | 112 | F783 I784 K785 S789 R790 L799 | F783-D787 PolarHBondContact O-N 3.26Å; I784-D787 WeakPolarHBondContact O-CB 3.2Å; K785-D787 PolarHBondContact O-N 3.38Å; D787-S789 PolarHBondContact O-N 3.24Å; D787-S789 VanDerWaalsContact O-N 3.11Å; D787-S789 WeakPolarHBondContact OD1-CB 3.48Å; D787-S789 PolarHBondContact OD1-N 3.4Å; D787-S789 PolarHBondContact OD1-OG 3.19Å; D787-S789 PolarHBondContact OD2-OG 2.83Å; D787-S789 VanDerWaalsContact OD2-OG 3.1Å; D787-R790 PolarHBondContact O-N 3.24Å; D787-R790 VanDerWaalsContact O-N 3.09Å; D787-L799 WeakPolarHBondContact OD2-CD1 3.22Å | ||
| 788 | P | 58.4 | Low | 59.8 | Low | 23 Ų | 23 | 50.9 Ų | 50.9 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22 | -179.6 | 24.3 | -31.9 | 0 | 0 | 0 | 113 | R790 T791 S914 | P788-R790 VanDerWaalsContact C-N 3.28Å; P788-R790 PolarHBondContact O-N 3.39Å; P788-T791 PolarHBondContact O-OG1 3.01Å; P788-S914 WeakPolarHBondContact CG-OG 3.3Å |
| 789 | S | 52.1 | Low | 58.2 | Low | 57 Ų | 57 | 51.8 Ų | 51.8 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -14.9 | 178 | 65.3 | 0 | 0 | 0 | 0 | 114.3 | D787 R802 | D787-S789 PolarHBondContact O-N 3.24Å; D787-S789 VanDerWaalsContact O-N 3.11Å; D787-S789 WeakPolarHBondContact OD1-CB 3.48Å; D787-S789 PolarHBondContact OD1-N 3.4Å; D787-S789 PolarHBondContact OD1-OG 3.19Å; D787-S789 PolarHBondContact OD2-OG 2.83Å; D787-S789 VanDerWaalsContact OD2-OG 3.1Å; S789-R802 PolarHBondContact OG-NH1 3.18Å |
| 790 | R | 48.7 | Very low | 56.5 | Low | 73 Ų | 73 | 59.2 Ų | 59.2 | 28% | 0.275 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -22.7 | 176.5 | -78.7 | -165.5 | 170.2 | -176.3 | -2.9 | 113.8 | I784 D787 P788 V792 | I784-R790 WeakPolarHBondContact O-CD 3.37Å; D787-R790 PolarHBondContact O-N 3.24Å; D787-R790 VanDerWaalsContact O-N 3.09Å; P788-R790 VanDerWaalsContact C-N 3.28Å; P788-R790 PolarHBondContact O-N 3.39Å; R790-V792 PolarHBondContact O-N 3.19Å |
| 791 | T | 50.7 | Low | 55.6 | Low | 78 Ų | 78 | 59.5 Ų | 59.5 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -72.2 | -16.2 | -177.4 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | P788 | P788-T791 PolarHBondContact O-OG1 3.01Š|
| 792 | V | 44.1 | Very low | 54.5 | Low | 126 Ų | 126 | 59.2 Ų | 59.2 | 76% | 0.764 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -103 | 78.2 | 174.2 | -168.1 | 0 | 0 | 0 | 0 | 109.7 | R790 | R790-V792 PolarHBondContact O-N 3.19Š|
| 793 | G | 42.7 | Very low | 53 | Low | 65 Ų | 65 | 61.5 Ų | 61.5 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 81.9 | 68.9 | 165 | 0 | 0 | 0 | 0 | 0 | 117 | D795 | G793-D795 PolarHBondContact O-N 3.38Š|
| 794 | G | 44.1 | Very low | 51.6 | Low | 71 Ų | 71 | 64.1 Ų | 64.1 | 73% | 0.732 | 38% | 0.384 | S | S | * | . | trans | 54.3 | 5.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | N796 | G794-N796 PolarHBondContact O-N 3.5Š| ||
| 795 | D | 45.8 | Very low | 51 | Low | 81 Ų | 81 | 67.8 Ų | 67.8 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | trans | -85.3 | 116 | -170.9 | -134.6 | 3.8 | 0 | 0 | 0 | 111.7 | G793 R797 | G793-D795 PolarHBondContact O-N 3.38Å; D795-R797 PolarHBondContact O-N 3.4Å; D795-R797 VanDerWaalsContact O-N 3.11Å; D795-R797 IonicContact OD2-CZ 2.72Å; D795-R797 IonicContact OD2-NE 2.64Å; D795-R797 PolarHBondContact OD2-NE 3.4Å; D795-R797 IonicContact OD2-NH2 3.6Å; D795-R797 PolarHBondContact OD2-NH2 3.03Å | ||
| 796 | N | 47.5 | Very low | 50.1 | Low | 142 Ų | 142 | 68.4 Ų | 68.4 | 76% | 0.759 | 41% | 0.414 | S | S | * | . | trans | -75.8 | 9 | -172.5 | -80.9 | -16.3 | 0 | 0 | 0 | 115.1 | G794 | G794-N796 PolarHBondContact O-N 3.5Š| ||
| 797 | R | 50 | Low | 49 | Very low | 114 Ų | 114 | 76.3 Ų | 76.3 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | trans | -64.8 | 149.1 | -177.8 | -59.7 | -179.9 | -158.9 | -175.9 | 0.1 | 111.9 | D795 R802 E805 | D795-R797 PolarHBondContact O-N 3.4Å; D795-R797 VanDerWaalsContact O-N 3.11Å; D795-R797 IonicContact OD2-CZ 2.72Å; D795-R797 IonicContact OD2-NE 2.64Å; D795-R797 PolarHBondContact OD2-NE 3.4Å; D795-R797 IonicContact OD2-NH2 3.6Å; D795-R797 PolarHBondContact OD2-NH2 3.03Å; R797-R802 HydrophobicContact CB-CG 3.81Å; R797-R802 PolarHBondContact O-NE 2.95Å; R797-R802 PolarHBondContact O-NH2 3.19Å; R797-E805 IonicContact CZ-OE2 3.04Å; R797-E805 IonicContact NH1-OE1 2.88Å; R797-E805 PolarHBondContact NH1-OE1 3.3Å; R797-E805 VanDerWaalsContact NH1-OE1 3.15Å; R797-E805 IonicContact NH1-OE2 2.92Å; R797-E805 PolarHBondContact NH1-OE2 3.16Å | ||
| 798 | S | 48.8 | Very low | 48.2 | Very low | 76 Ų | 76 | 79.4 Ų | 79.4 | 53% | 0.531 | 46% | 0.457 | S | S | . | . | trans | -59.7 | 145.8 | 177.3 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | F800 A801 R802 | S798-F800 PolarHBondContact O-N 3.04Å; S798-F800 VanDerWaalsContact O-N 3.16Å; S798-A801 PolarHBondContact O-N 3.46Å; S798-R802 PolarHBondContact O-N 3.31Å; S798-R802 VanDerWaalsContact O-N 3.09Å | ||
| 799 | L | 45.3 | Very low | 47.8 | Very low | 24 Ų | 24 | 81.4 Ų | 81.4 | 13% | 0.126 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -52.6 | -39.2 | -178.6 | -171.4 | 155.9 | 0 | 0 | 0 | 111.1 | D787 R802 V803 N910 | D787-L799 WeakPolarHBondContact OD2-CD1 3.22Å; L799-R802 PolarHBondContact O-N 3.16Å; L799-V803 HydrophobicContact CD2-CG2 3.74Å; L799-V803 HydrophobicContact CG-CG2 4.44Å; L799-V803 WeakPolarHBondContact O-CB 3.25Å; L799-V803 VanDerWaalsContact O-CG2 3.27Å; L799-V803 WeakPolarHBondContact O-CG2 3.39Å; L799-V803 PolarHBondContact O-N 3.03Å; L799-N910 HydrophobicContact CD2-CB 4.21Å; L799-N910 WeakPolarHBondContact CD2-ND2 3.49Å |
| 800 | F | 42.8 | Very low | 47.6 | Very low | 156 Ų | 156 | 85 Ų | 85 | 68% | 0.684 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 177.4 | -132.4 | -84.7 | 0 | 0 | 0 | 113.2 | S798 A804 T906 | S798-F800 PolarHBondContact O-N 3.04Å; S798-F800 VanDerWaalsContact O-N 3.16Å; F800-A804 VanDerWaalsContact O-CB 3.31Å; F800-A804 WeakPolarHBondContact O-CB 3.41Å; F800-A804 PolarHBondContact O-N 2.87Å; F800-T906 HydrophobicContact CE2-CG2 4.36Å |
| 801 | A | 50.8 | Low | 47.7 | Very low | 44 Ų | 44 | 89 Ų | 89 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S798 A804 E805 | S798-A801 PolarHBondContact O-N 3.46Å; A801-A804 PolarHBondContact O-N 3.42Å; A801-E805 VanDerWaalsContact O-CB 3.32Å; A801-E805 WeakPolarHBondContact O-CB 3.2Å; A801-E805 PolarHBondContact O-N 2.81Å |
| 802 | R | 48.2 | Very low | 47.6 | Very low | 28 Ų | 28 | 93.1 Ų | 93.1 | 11% | 0.106 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 178.7 | -68.7 | -172 | -79 | 135.7 | 8 | 112.8 | S789 R797 S798 L799 E805 A806 | S789-R802 PolarHBondContact OG-NH1 3.18Å; R797-R802 HydrophobicContact CB-CG 3.81Å; R797-R802 PolarHBondContact O-NE 2.95Å; R797-R802 PolarHBondContact O-NH2 3.19Å; S798-R802 PolarHBondContact O-N 3.31Å; S798-R802 VanDerWaalsContact O-N 3.09Å; L799-R802 PolarHBondContact O-N 3.16Å; R802-E805 PolarHBondContact O-N 3.3Å; R802-A806 VanDerWaalsContact O-CB 3.25Å; R802-A806 WeakPolarHBondContact O-CB 3.11Å; R802-A806 PolarHBondContact O-N 3.2Å |
| 803 | V | 45.4 | Very low | 47.8 | Very low | 49 Ų | 49 | 90 Ų | 90 | 30% | 0.297 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | L799 R807 | L799-V803 HydrophobicContact CD2-CG2 3.74Å; L799-V803 HydrophobicContact CG-CG2 4.44Å; L799-V803 WeakPolarHBondContact O-CB 3.25Å; L799-V803 VanDerWaalsContact O-CG2 3.27Å; L799-V803 WeakPolarHBondContact O-CG2 3.39Å; L799-V803 PolarHBondContact O-N 3.03Å; V803-R807 WeakPolarHBondContact O-CB 3.32Å; V803-R807 PolarHBondContact O-N 3.11Å |
| 804 | A | 48.3 | Very low | 47.9 | Very low | 56 Ų | 56 | 92.5 Ų | 92.5 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F800 A801 R807 E808 | F800-A804 VanDerWaalsContact O-CB 3.31Å; F800-A804 WeakPolarHBondContact O-CB 3.41Å; F800-A804 PolarHBondContact O-N 2.87Å; A801-A804 PolarHBondContact O-N 3.42Å; A804-R807 PolarHBondContact O-N 2.95Å; A804-E808 WeakPolarHBondContact O-CB 3.1Å; A804-E808 PolarHBondContact O-N 3.26Å |
| 805 | E | 54.7 | Low | 48.2 | Very low | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 177.7 | -161.9 | 169.9 | -160.8 | 0 | 0 | 112.1 | R797 A801 R802 E808 S809 | R797-E805 IonicContact CZ-OE2 3.04Å; R797-E805 IonicContact NH1-OE1 2.88Å; R797-E805 PolarHBondContact NH1-OE1 3.3Å; R797-E805 VanDerWaalsContact NH1-OE1 3.15Å; R797-E805 IonicContact NH1-OE2 2.92Å; R797-E805 PolarHBondContact NH1-OE2 3.16Å; A801-E805 VanDerWaalsContact O-CB 3.32Å; A801-E805 WeakPolarHBondContact O-CB 3.2Å; A801-E805 PolarHBondContact O-N 2.81Å; R802-E805 PolarHBondContact O-N 3.3Å; E805-E808 CarbonylContact O-C 3.48Å; E805-E808 PolarHBondContact O-N 3.21Å; E805-S809 WeakPolarHBondContact O-CB 3.26Å; E805-S809 PolarHBondContact O-N 3.05Å |
| 806 | A | 47.4 | Very low | 48.2 | Very low | 54 Ų | 54 | 100.4 Ų | 100.4 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.8 | -37.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | R802 E808 S809 R810 | R802-A806 VanDerWaalsContact O-CB 3.25Å; R802-A806 WeakPolarHBondContact O-CB 3.11Å; R802-A806 PolarHBondContact O-N 3.2Å; A806-E808 VanDerWaalsContact C-N 3.34Å; A806-S809 WeakPolarHBondContact CA-OG 3.1Å; A806-S809 PolarHBondContact O-N 2.91Å; A806-S809 PolarHBondContact O-OG 3.43Å; A806-R810 VanDerWaalsContact O-CB 3.32Å; A806-R810 WeakPolarHBondContact O-CB 3.33Å; A806-R810 PolarHBondContact O-N 2.96Å |
| 807 | R | 47.5 | Very low | 47.8 | Very low | 168 Ų | 168 | 103.7 Ų | 103.7 | 63% | 0.634 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 170.3 | -87.3 | -178.2 | 172.1 | 166.6 | -1.6 | 111 | V803 A804 R810 R811 | V803-R807 WeakPolarHBondContact O-CB 3.32Å; V803-R807 PolarHBondContact O-N 3.11Å; A804-R807 PolarHBondContact O-N 2.95Å; R807-R810 PolarHBondContact O-N 3.42Å; R807-R811 WeakPolarHBondContact O-CG 3.25Å; R807-R811 PolarHBondContact O-N 3.48Å |
| 808 | E | 49.5 | Very low | 47.6 | Very low | 79 Ų | 79 | 107.5 Ų | 107.5 | 37% | 0.369 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 177.5 | -158.5 | 62.5 | -158.2 | 0 | 0 | 111.5 | A804 E805 A806 R811 R812 | A804-E808 WeakPolarHBondContact O-CB 3.1Å; A804-E808 PolarHBondContact O-N 3.26Å; E805-E808 CarbonylContact O-C 3.48Å; E805-E808 PolarHBondContact O-N 3.21Å; A806-E808 VanDerWaalsContact C-N 3.34Å; E808-R811 PolarHBondContact O-N 2.78Å; E808-R811 IonicContact OE2-NH1 3.48Å; E808-R811 PolarHBondContact OE2-NH1 3.03Å; E808-R812 VanDerWaalsContact O-CG 3.31Å; E808-R812 WeakPolarHBondContact O-CG 3.4Å; E808-R812 PolarHBondContact O-N 2.75Å |
| 809 | S | 50.3 | Low | 46.9 | Very low | 65 Ų | 65 | 108.5 Ų | 108.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 173.1 | 81.7 | 0 | 0 | 0 | 0 | 111.6 | E805 A806 R812 S813 | E805-S809 WeakPolarHBondContact O-CB 3.26Å; E805-S809 PolarHBondContact O-N 3.05Å; A806-S809 WeakPolarHBondContact CA-OG 3.1Å; A806-S809 PolarHBondContact O-N 2.91Å; A806-S809 PolarHBondContact O-OG 3.43Å; S809-R812 CarbonylContact O-C 3.09Å; S809-R812 WeakPolarHBondContact O-CB 3.34Å; S809-R812 PolarHBondContact O-N 2.83Å; S809-S813 WeakPolarHBondContact O-CB 3.34Å; S809-S813 PolarHBondContact O-N 3.39Å |
| 810 | R | 45.9 | Very low | 46.1 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 50% | 0.502 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.2 | -36.4 | 174 | -154.2 | 177.6 | -138.3 | -179.7 | -0.7 | 112.3 | A806 R807 S813 L814 N917 | A806-R810 VanDerWaalsContact O-CB 3.32Å; A806-R810 WeakPolarHBondContact O-CB 3.33Å; A806-R810 PolarHBondContact O-N 2.96Å; R807-R810 PolarHBondContact O-N 3.42Å; R810-S813 WeakPolarHBondContact CA-OG 3.43Å; R810-S813 PolarHBondContact O-N 3.14Å; R810-S813 PolarHBondContact O-OG 3.38Å; R810-S813 VanDerWaalsContact O-OG 3.04Å; R810-L814 WeakPolarHBondContact O-CB 3.12Å; R810-L814 WeakPolarHBondContact O-CG 3.48Å; R810-L814 PolarHBondContact O-N 3.41Å; R810-N917 PolarHBondContact NH2-ND2 3.35Å; R810-N917 PolarHBondContact NH2-OD1 3.16Å |
| 811 | R | 51.5 | Low | 45.4 | Very low | 158 Ų | 158 | 120 Ų | 120 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -39.3 | 170.2 | -76 | 176 | 177.2 | 172.9 | -3.1 | 111.6 | R807 E808 R815 | R807-R811 WeakPolarHBondContact O-CG 3.25Å; R807-R811 PolarHBondContact O-N 3.48Å; E808-R811 PolarHBondContact O-N 2.78Å; E808-R811 IonicContact OE2-NH1 3.48Å; E808-R811 PolarHBondContact OE2-NH1 3.03Å; R811-R815 WeakPolarHBondContact O-CG 3.45Å; R811-R815 PolarHBondContact O-N 3.24Å; R811-R815 VanDerWaalsContact O-N 3.16Å |
| 812 | R | 49.8 | Very low | 44.4 | Very low | 163 Ų | 163 | 124 Ų | 124 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.3 | -43.8 | 173.1 | -72.8 | 174.1 | -175.1 | 175.9 | 1.7 | 111.5 | E808 S809 R815 I816 | E808-R812 VanDerWaalsContact O-CG 3.31Å; E808-R812 WeakPolarHBondContact O-CG 3.4Å; E808-R812 PolarHBondContact O-N 2.75Å; S809-R812 CarbonylContact O-C 3.09Å; S809-R812 WeakPolarHBondContact O-CB 3.34Å; S809-R812 PolarHBondContact O-N 2.83Å; R812-R815 PolarHBondContact O-N 3.44Å; R812-I816 WeakPolarHBondContact O-CD1 3.2Å; R812-I816 VanDerWaalsContact O-CG1 3.23Å; R812-I816 WeakPolarHBondContact O-CG1 3.26Å; R812-I816 PolarHBondContact O-N 3.37Å |
| 813 | S | 47.7 | Very low | 43.4 | Very low | 60 Ų | 60 | 130.4 Ų | 130.4 | 42% | 0.42 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.9 | -37.1 | 179.4 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | S809 R810 R815 I816 R817 | S809-S813 WeakPolarHBondContact O-CB 3.34Å; S809-S813 PolarHBondContact O-N 3.39Å; R810-S813 WeakPolarHBondContact CA-OG 3.43Å; R810-S813 PolarHBondContact O-N 3.14Å; R810-S813 PolarHBondContact O-OG 3.38Å; R810-S813 VanDerWaalsContact O-OG 3.04Å; S813-R815 VanDerWaalsContact C-N 3.33Å; S813-R815 PolarHBondContact O-N 3.37Å; S813-I816 CarbonylContact O-C 3.53Å; S813-I816 PolarHBondContact O-N 3.24Å; S813-R817 VanDerWaalsContact O-CB 3.29Å; S813-R817 WeakPolarHBondContact O-CB 3.4Å; S813-R817 PolarHBondContact O-N 3.37Å |
| 814 | L | 44.6 | Very low | 42.8 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.7 | -34.1 | 172.1 | -85.3 | 161.9 | 0 | 0 | 0 | 112.8 | R810 | R810-L814 WeakPolarHBondContact O-CB 3.12Å; R810-L814 WeakPolarHBondContact O-CG 3.48Å; R810-L814 PolarHBondContact O-N 3.41Å |
| 815 | R | 50.7 | Low | 41.9 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70 | -35.2 | 171.5 | -74.2 | -177.9 | -174.2 | 166.5 | 3.1 | 112.1 | R811 R812 S813 | R811-R815 WeakPolarHBondContact O-CG 3.45Å; R811-R815 PolarHBondContact O-N 3.24Å; R811-R815 VanDerWaalsContact O-N 3.16Å; R812-R815 PolarHBondContact O-N 3.44Å; S813-R815 VanDerWaalsContact C-N 3.33Å; S813-R815 PolarHBondContact O-N 3.37Å |
| 816 | I | 46.4 | Very low | 40.9 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 57% | 0.569 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.2 | -29 | -179.2 | -64.3 | 162.3 | 0 | 0 | 0 | 111.9 | R812 S813 K818 T819 | R812-I816 WeakPolarHBondContact O-CD1 3.2Å; R812-I816 VanDerWaalsContact O-CG1 3.23Å; R812-I816 WeakPolarHBondContact O-CG1 3.26Å; R812-I816 PolarHBondContact O-N 3.37Å; S813-I816 CarbonylContact O-C 3.53Å; S813-I816 PolarHBondContact O-N 3.24Å; I816-K818 PolarHBondContact O-N 3.27Å; I816-K818 VanDerWaalsContact O-N 3.12Å; I816-T819 CarbonylContact O-C 3.59Å; I816-T819 PolarHBondContact O-N 2.72Å; I816-T819 PolarHBondContact O-OG1 2.73Å; I816-T819 VanDerWaalsContact O-OG1 3.09Å |
| 817 | R | 38 | Very low | 40.1 | Very low | 211 Ų | 211 | 147.3 Ų | 147.3 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -7.3 | -178.5 | -155.5 | 174.2 | -172.4 | 174.4 | 2.5 | 114.1 | S813 T819 | S813-R817 VanDerWaalsContact O-CB 3.29Å; S813-R817 WeakPolarHBondContact O-CB 3.4Å; S813-R817 PolarHBondContact O-N 3.37Å; R817-T819 PolarHBondContact O-N 2.79Å |
| 818 | K | 45.5 | Very low | 39.7 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -8.5 | 164.3 | -78.8 | -167.8 | 174.8 | -172.1 | 0 | 113.3 | I816 | I816-K818 PolarHBondContact O-N 3.27Å; I816-K818 VanDerWaalsContact O-N 3.12Å |
| 819 | T | 35.3 | Very low | 39.8 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 60% | 0.595 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -142 | 79 | -176.9 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | I816 R817 | I816-T819 CarbonylContact O-C 3.59Å; I816-T819 PolarHBondContact O-N 2.72Å; I816-T819 PolarHBondContact O-OG1 2.73Å; I816-T819 VanDerWaalsContact O-OG1 3.09Å; R817-T819 PolarHBondContact O-N 2.79Å |
| 820 | R | 27.4 | Very low | 40 | Very low | 243 Ų | 243 | 151 Ų | 151 | 92% | 0.917 | 71% | 0.712 | S | S | * | * | trans | 146.1 | 119.3 | 148.6 | -84.9 | 176.3 | 171 | 178.2 | -3.9 | 111.4 | ||||
| 821 | E | 27.9 | Very low | 40.5 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | -87.9 | 158.4 | 165.7 | -82.5 | 177 | 145.9 | 0 | 0 | 111.2 | ||||
| 822 | T | 30.8 | Very low | 41 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | trans | 62.8 | 104.2 | 166.9 | 62.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 823 | D | 27.8 | Very low | 41.7 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 87% | 0.866 | 71% | 0.71 | S | S | * | * | -165.8 | 102.6 | 126.3 | -84.5 | -26.2 | 0 | 0 | 0 | 108.2 | |||||
| 824 | L | 31.4 | Very low | 42.6 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 89% | 0.89 | 71% | 0.711 | S | S | * | * | trans | -102.4 | 83 | -178.2 | -122 | 137.1 | 0 | 0 | 0 | 108 | L826 | L824-L826 PolarHBondContact O-N 3.2Å; L824-L826 VanDerWaalsContact O-N 3.16Å | ||
| 825 | E | 29.8 | Very low | 43.7 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | trans | -71.1 | 103.2 | 172.9 | -76.5 | -174.8 | 157.2 | 0 | 0 | 110.5 | L827 | E825-L827 HydrophobicContact CB-CD1 4.18Å; E825-L827 HydrophobicContact CB-CG 4.42Å; E825-L827 PolarHBondContact O-N 3.49Å | ||
| 826 | L | 34.4 | Very low | 44.7 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 89% | 0.885 | 67% | 0.669 | S | S | * | * | trans | -71.2 | 92.5 | 164 | -82.8 | 148.5 | 0 | 0 | 0 | 109.3 | L824 | L824-L826 PolarHBondContact O-N 3.2Å; L824-L826 VanDerWaalsContact O-N 3.16Å | ||
| 827 | L | 30.7 | Very low | 45.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 61% | 0.607 | 65% | 0.652 | S | S | * | * | trans | -125.1 | 98.8 | 177.8 | -77 | 169.9 | 0 | 0 | 0 | 112.3 | E825 | E825-L827 HydrophobicContact CB-CD1 4.18Å; E825-L827 HydrophobicContact CB-CG 4.42Å; E825-L827 PolarHBondContact O-N 3.49Å | ||
| 828 | N | 38.5 | Very low | 47.6 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | trans | 46.6 | 65.4 | 151.4 | -70.3 | -15.3 | 0 | 0 | 0 | 118.7 | D830 | N828-D830 PolarHBondContact O-N 2.85Š| ||
| 829 | D | 52.6 | Low | 49.2 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -10.6 | -175.7 | -96.2 | -29.2 | 0 | 0 | 0 | 116.8 | K831 K832 V833 | D829-K831 VanDerWaalsContact C-N 3.32Å; D829-K831 PolarHBondContact O-N 3.28Å; D829-K831 VanDerWaalsContact O-N 3.17Å; D829-K832 PolarHBondContact O-N 3Å; D829-V833 HydrophobicContact CB-CG2 4.31Å; D829-V833 WeakPolarHBondContact O-CG2 3.35Å; D829-V833 PolarHBondContact O-N 3.17Å |
| 830 | D | 54.2 | Low | 51.2 | Low | 138 Ų | 138 | 112.2 Ų | 112.2 | 74% | 0.738 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.7 | -38.5 | -172.1 | -72.4 | -21.6 | 0 | 0 | 0 | 114.2 | N828 Y834 | N828-D830 PolarHBondContact O-N 2.85Å; D830-Y834 VanDerWaalsContact O-CB 3.31Å; D830-Y834 WeakPolarHBondContact O-CB 3.45Å; D830-Y834 PolarHBondContact O-N 3.12Å |
| 831 | K | 55.3 | Low | 53.6 | Low | 185 Ų | 185 | 106.7 Ų | 106.7 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.8 | -33.9 | 177.9 | -74 | -173.9 | 179.5 | 179.2 | 0 | 112.7 | D829 S835 | D829-K831 VanDerWaalsContact C-N 3.32Å; D829-K831 PolarHBondContact O-N 3.28Å; D829-K831 VanDerWaalsContact O-N 3.17Å; K831-S835 PolarHBondContact O-N 2.74Å; K831-S835 VanDerWaalsContact O-N 3.09Å; K831-S835 PolarHBondContact O-OG 3.25Å |
| 832 | K | 62.5 | Low | 56.1 | Low | 139 Ų | 139 | 98.2 Ų | 98.2 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.8 | -41.5 | 175.8 | -74.4 | 178.8 | -177.5 | 165.8 | 0 | 111 | D829 Y834 S835 E836 | D829-K832 PolarHBondContact O-N 3Å; K832-Y834 VanDerWaalsContact C-N 3.3Å; K832-Y834 PolarHBondContact O-N 3.31Å; K832-S835 PolarHBondContact O-N 3.1Å; K832-S835 PolarHBondContact O-OG 3.19Å; K832-S835 VanDerWaalsContact O-OG 3.05Å; K832-E836 WeakPolarHBondContact O-CB 3.35Å; K832-E836 WeakPolarHBondContact O-CG 3.39Å; K832-E836 PolarHBondContact O-N 2.98Å |
| 833 | V | 65.2 | Low | 58.5 | Low | 43 Ų | 43 | 92.1 Ų | 92.1 | 26% | 0.261 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 174.3 | 165.7 | 0 | 0 | 0 | 0 | 110.7 | D829 R837 I971 | D829-V833 HydrophobicContact CB-CG2 4.31Å; D829-V833 WeakPolarHBondContact O-CG2 3.35Å; D829-V833 PolarHBondContact O-N 3.17Å; V833-R837 WeakPolarHBondContact O-CB 3.31Å; V833-R837 PolarHBondContact O-N 3.4Å; V833-I971 HydrophobicContact CB-CD1 4.13Å; V833-I971 HydrophobicContact CG1-CD1 3.59Å; V833-I971 HydrophobicContact CG1-CG1 3.9Å; V833-I971 HydrophobicContact CG2-CD1 4.09Å |
| 834 | Y | 65.2 | Low | 61.1 | Low | 110 Ų | 110 | 84.8 Ų | 84.8 | 43% | 0.431 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 177.1 | 179.9 | -93 | 0 | 0 | 0 | 112.7 | N757 D830 K832 E836 R837 V838 | N757-Y834 PolarHBondContact OD1-OH 3.06Å; D830-Y834 VanDerWaalsContact O-CB 3.31Å; D830-Y834 WeakPolarHBondContact O-CB 3.45Å; D830-Y834 PolarHBondContact O-N 3.12Å; K832-Y834 VanDerWaalsContact C-N 3.3Å; K832-Y834 PolarHBondContact O-N 3.31Å; Y834-E836 VanDerWaalsContact C-N 3.32Å; Y834-E836 PolarHBondContact O-N 3.48Å; Y834-R837 WeakPolarHBondContact O-CB 3.49Å; Y834-R837 PolarHBondContact O-N 3.42Å; Y834-R837 VanDerWaalsContact O-N 3.11Å; Y834-V838 HydrophobicContact CD1-CG2 4.34Å; Y834-V838 HydrophobicContact CE1-CG2 3.78Å; Y834-V838 HydrophobicContact CE2-CG2 4.38Å; Y834-V838 PolarHBondContact O-N 3.04Å |
| 835 | S | 67.4 | Low | 63.5 | Low | 58 Ų | 58 | 77 Ų | 77 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | -179.8 | 64 | 0 | 0 | 0 | 0 | 112.2 | K831 K832 V838 R839 | K831-S835 PolarHBondContact O-N 2.74Å; K831-S835 VanDerWaalsContact O-N 3.09Å; K831-S835 PolarHBondContact O-OG 3.25Å; K832-S835 PolarHBondContact O-N 3.1Å; K832-S835 PolarHBondContact O-OG 3.19Å; K832-S835 VanDerWaalsContact O-OG 3.05Å; S835-V838 PolarHBondContact O-N 2.79Å; S835-R839 WeakPolarHBondContact O-CB 3.34Å; S835-R839 PolarHBondContact O-N 3.44Å |
| 836 | E | 71.8 | Confident | 66 | Low | 27 Ų | 27 | 69.3 Ų | 69.3 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 172 | -80.4 | -65.1 | 152.2 | 0 | 0 | 112.4 | K832 Y834 R839 L840 M918 | K832-E836 WeakPolarHBondContact O-CB 3.35Å; K832-E836 WeakPolarHBondContact O-CG 3.39Å; K832-E836 PolarHBondContact O-N 2.98Å; Y834-E836 VanDerWaalsContact C-N 3.32Å; Y834-E836 PolarHBondContact O-N 3.48Å; E836-R839 PolarHBondContact O-N 2.75Å; E836-R839 IonicContact OE1-NE 2.83Å; E836-R839 PolarHBondContact OE1-NE 3.31Å; E836-R839 IonicContact OE1-NH2 3.49Å; E836-R839 IonicContact OE2-CZ 2.61Å; E836-R839 IonicContact OE2-NE 3.48Å; E836-R839 PolarHBondContact OE2-NE 3.48Å; E836-R839 IonicContact OE2-NH2 3.18Å; E836-R839 PolarHBondContact OE2-NH2 2.72Å; E836-L840 WeakPolarHBondContact O-CB 3.45Å; E836-L840 VanDerWaalsContact O-CG 3.24Å; E836-L840 WeakPolarHBondContact O-CG 3.28Å; E836-L840 PolarHBondContact O-N 3.23Å; E836-M918 HydrophobicContact CG-CE 4.11Å |
| 837 | R | 73.2 | Confident | 68.3 | Low | 51 Ų | 51 | 61.3 Ų | 61.3 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.4 | -175 | -172.9 | -66.9 | -156.7 | -8.6 | 112 | V833 Y834 R839 L840 R841 D968 S969 L974 | V833-R837 WeakPolarHBondContact O-CB 3.31Å; V833-R837 PolarHBondContact O-N 3.4Å; Y834-R837 WeakPolarHBondContact O-CB 3.49Å; Y834-R837 PolarHBondContact O-N 3.42Å; Y834-R837 VanDerWaalsContact O-N 3.11Å; R837-R839 VanDerWaalsContact C-N 3.35Å; R837-L840 PolarHBondContact O-N 3.46Å; R837-R841 WeakPolarHBondContact O-CG 3.42Å; R837-R841 PolarHBondContact O-N 3.23Å; R837-D968 PolarHBondContact NH1-O 2.85Å; R837-D968 PolarHBondContact NH2-O 2.91Å; R837-S969 PolarHBondContact NH2-O 3.35Å; R837-L974 HydrophobicContact CG-CD2 4.18Å |
| 838 | V | 73.2 | Confident | 70.7 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.109 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | H755 Y834 S835 L840 R841 F842 | H755-V838 HydrophobicContact CB-CG1 4.24Å; Y834-V838 HydrophobicContact CD1-CG2 4.34Å; Y834-V838 HydrophobicContact CE1-CG2 3.78Å; Y834-V838 HydrophobicContact CE2-CG2 4.38Å; Y834-V838 PolarHBondContact O-N 3.04Å; S835-V838 PolarHBondContact O-N 2.79Å; V838-L840 PolarHBondContact O-N 2.79Å; V838-R841 PolarHBondContact O-N 3.5Å; V838-F842 WeakPolarHBondContact O-CB 3.3Å; V838-F842 PolarHBondContact O-N 2.91Å |
| 839 | R | 78 | Confident | 72.6 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 176.3 | -170.5 | -171.9 | 73.6 | 78.2 | 0.3 | 112.4 | A786 S835 E836 R837 F842 L843 | A786-R839 WeakPolarHBondContact O-CD 3.32Å; A786-R839 PolarHBondContact O-NH1 2.88Å; A786-R839 VanDerWaalsContact O-NH1 3.09Å; S835-R839 WeakPolarHBondContact O-CB 3.34Å; S835-R839 PolarHBondContact O-N 3.44Å; E836-R839 PolarHBondContact O-N 2.75Å; E836-R839 IonicContact OE1-NE 2.83Å; E836-R839 PolarHBondContact OE1-NE 3.31Å; E836-R839 IonicContact OE1-NH2 3.49Å; E836-R839 IonicContact OE2-CZ 2.61Å; E836-R839 IonicContact OE2-NE 3.48Å; E836-R839 PolarHBondContact OE2-NE 3.48Å; E836-R839 IonicContact OE2-NH2 3.18Å; E836-R839 PolarHBondContact OE2-NH2 2.72Å; R837-R839 VanDerWaalsContact C-N 3.35Å; R839-F842 PolarHBondContact O-N 3.36Å; R839-L843 WeakPolarHBondContact O-CB 3.44Å; R839-L843 PolarHBondContact O-N 3.4Å |
| 840 | L | 77.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | 179.2 | -74.4 | 172.1 | 0 | 0 | 0 | 112.3 | E836 R837 V838 L843 S844 I971 L974 L975 C978 | E836-L840 WeakPolarHBondContact O-CB 3.45Å; E836-L840 VanDerWaalsContact O-CG 3.24Å; E836-L840 WeakPolarHBondContact O-CG 3.28Å; E836-L840 PolarHBondContact O-N 3.23Å; R837-L840 PolarHBondContact O-N 3.46Å; V838-L840 PolarHBondContact O-N 2.79Å; L840-L843 HydrophobicContact CD2-CD2 4.5Å; L840-L843 PolarHBondContact O-N 3.02Å; L840-S844 VanDerWaalsContact O-CB 3.22Å; L840-S844 WeakPolarHBondContact O-CB 3.32Å; L840-S844 PolarHBondContact O-N 3.11Å; L840-I971 HydrophobicContact CD1-CG2 3.63Å; L840-L974 HydrophobicContact CB-CD2 3.32Å; L840-L974 HydrophobicContact CB-CG 4.14Å; L840-L974 HydrophobicContact CD1-CD2 4.12Å; L840-L974 HydrophobicContact CG-CD2 4.38Å; L840-L975 HydrophobicContact CD1-CD1 4.19Å; L840-C978 HydrophobicContact CD2-CB 4.45Å; L840-C978 PolarHBondContact O-SG 3.47Å; L840-C978 VanDerWaalsContact O-SG 3.39Å |
| 841 | R | 79.4 | Confident | 75.1 | Confident | 127 Ų | 127 | 41.6 Ų | 41.6 | 48% | 0.479 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62 | -46.6 | 171.9 | -76.8 | -178.6 | -177.4 | 175.6 | -0.6 | 110.9 | F762 R837 V838 S844 M845 L974 | F762-R841 HydrophobicContact CE2-CB 4.29Å; F762-R841 HydrophobicContact CZ-CB 4.32Å; F762-R841 WeakPolarHBondContact CZ-O 3.05Å; R837-R841 WeakPolarHBondContact O-CG 3.42Å; R837-R841 PolarHBondContact O-N 3.23Å; V838-R841 PolarHBondContact O-N 3.5Å; R841-S844 WeakPolarHBondContact O-CB 3.4Å; R841-S844 PolarHBondContact O-N 3.09Å; R841-M845 PolarHBondContact O-N 3.12Å; R841-L974 HydrophobicContact CG-CD1 4.07Å; R841-L974 HydrophobicContact CG-CD2 4.03Å |
| 842 | F | 78.9 | Confident | 76.1 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 177.2 | -169.7 | -96.9 | 0 | 0 | 0 | 112.3 | Y751 H755 F769 M782 V838 R839 S844 M845 L846 | Y751-F842 HydrophobicContact CD2-CD1 4.09Å; Y751-F842 AromaticContact CD2-CE1 3.42Å; Y751-F842 HydrophobicContact CD2-CE1 3.42Å; Y751-F842 VanDerWaalsContact CD2-CE1 3.42Å; Y751-F842 HydrophobicContact CD2-CE2 4.25Å; Y751-F842 AromaticContact CD2-CZ 3.56Å; Y751-F842 HydrophobicContact CD2-CZ 3.56Å; Y751-F842 AromaticContact CE2-CD1 3.94Å; Y751-F842 HydrophobicContact CE2-CD1 3.94Å; Y751-F842 AromaticContact CE2-CE1 3.69Å; Y751-F842 HydrophobicContact CE2-CE1 3.69Å; Y751-F842 HydrophobicContact CE2-CZ 4.26Å; Y751-F842 HydrophobicContact CG-CZ 4.49Å; H755-F842 AromaticContact CE1-CG 3.97Å; F769-F842 HydrophobicContact CE2-CE2 4.05Å; F769-F842 HydrophobicContact CE2-CZ 4Å; F769-F842 HydrophobicContact CZ-CZ 4.4Å; M782-F842 HydrophobicContact CE-CE1 3.62Å; M782-F842 HydrophobicContact CE-CZ 3.36Å; V838-F842 WeakPolarHBondContact O-CB 3.3Å; V838-F842 PolarHBondContact O-N 2.91Å; R839-F842 PolarHBondContact O-N 3.36Å; F842-S844 VanDerWaalsContact C-N 3.34Å; F842-S844 PolarHBondContact O-N 3.04Å; F842-M845 HydrophobicContact CD2-CE 3.3Å; F842-M845 HydrophobicContact CE2-CE 3.24Å; F842-M845 HydrophobicContact CG-CE 4.21Å; F842-M845 HydrophobicContact CZ-CE 4.11Å; F842-M845 WeakPolarHBondContact O-CB 3.43Å; F842-M845 PolarHBondContact O-N 3.36Å; F842-L846 HydrophobicContact CD1-CD1 3.76Å; F842-L846 HydrophobicContact CD1-CG 4.05Å; F842-L846 HydrophobicContact CE1-CD1 3.41Å; F842-L846 VanDerWaalsContact CE1-CD1 3.41Å; F842-L846 HydrophobicContact CE1-CD2 4.13Å; F842-L846 HydrophobicContact CE1-CG 3.69Å; F842-L846 HydrophobicContact CZ-CD1 4.34Å; F842-L846 HydrophobicContact CZ-CD2 4.27Å; F842-L846 HydrophobicContact CZ-CG 4.22Å; F842-L846 PolarHBondContact O-N 3.42Å |
| 843 | L | 81.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 174.2 | -176.3 | 68.2 | 0 | 0 | 0 | 111.3 | F783 R839 L840 M845 L846 L847 I915 | F783-L843 HydrophobicContact CD1-CD1 4.03Å; F783-L843 HydrophobicContact CE1-CD1 4.02Å; R839-L843 WeakPolarHBondContact O-CB 3.44Å; R839-L843 PolarHBondContact O-N 3.4Å; L840-L843 HydrophobicContact CD2-CD2 4.5Å; L840-L843 PolarHBondContact O-N 3.02Å; L843-M845 VanDerWaalsContact C-N 3.27Å; L843-M845 PolarHBondContact O-N 3.28Å; L843-L846 PolarHBondContact O-N 2.81Å; L843-L847 HydrophobicContact CD1-CD1 4.43Å; L843-L847 HydrophobicContact CD1-CG 4.46Å; L843-L847 HydrophobicContact CG-CD1 3.9Å; L843-L847 HydrophobicContact CG-CG 4.39Å; L843-L847 WeakPolarHBondContact O-CB 3.05Å; L843-L847 WeakPolarHBondContact O-CD1 3.23Å; L843-L847 WeakPolarHBondContact O-CG 3.42Å; L843-L847 PolarHBondContact O-N 2.84Å; L843-I915 HydrophobicContact CD2-CD1 4.12Å |
| 844 | S | 82.3 | Confident | 77.1 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -35.3 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | L840 R841 F842 S848 K981 | L840-S844 VanDerWaalsContact O-CB 3.22Å; L840-S844 WeakPolarHBondContact O-CB 3.32Å; L840-S844 PolarHBondContact O-N 3.11Å; R841-S844 WeakPolarHBondContact O-CB 3.4Å; R841-S844 PolarHBondContact O-N 3.09Å; F842-S844 VanDerWaalsContact C-N 3.34Å; F842-S844 PolarHBondContact O-N 3.04Å; S844-S848 PolarHBondContact O-N 2.98Å; S844-K981 PolarHBondContact O-NZ 3.04Å; S844-K981 VanDerWaalsContact O-NZ 3.13Å; S844-K981 WeakPolarHBondContact OG-CD 3.5Å; S844-K981 WeakPolarHBondContact OG-CE 3.08Å; S844-K981 PolarHBondContact OG-NZ 3.27Å |
| 845 | M | 82.9 | Confident | 77.2 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.8 | -51.1 | 171.8 | 162.5 | 174 | 77 | 0 | 0 | 111.6 | F762 V765 H766 F769 R841 F842 L843 L847 S848 I849 | F762-M845 HydrophobicContact CE1-CB 4.26Å; F762-M845 HydrophobicContact CE1-SD 4.2Å; F762-M845 HydrophobicContact CE2-CB 4.44Å; F762-M845 HydrophobicContact CE2-CE 3.98Å; F762-M845 HydrophobicContact CE2-SD 4.21Å; F762-M845 HydrophobicContact CZ-CB 3.64Å; F762-M845 HydrophobicContact CZ-CE 4.21Å; F762-M845 HydrophobicContact CZ-CG 4.38Å; F762-M845 HydrophobicContact CZ-SD 3.92Å; V765-M845 HydrophobicContact CG1-CE 3.79Å; V765-M845 HydrophobicContact CG1-SD 4.27Å; H766-M845 HydrophobicContact CB-SD 3.7Å; F769-M845 HydrophobicContact CD2-CE 4.06Å; F769-M845 HydrophobicContact CD2-SD 4.42Å; F769-M845 HydrophobicContact CE2-CE 4.07Å; R841-M845 PolarHBondContact O-N 3.12Å; F842-M845 HydrophobicContact CD2-CE 3.3Å; F842-M845 HydrophobicContact CE2-CE 3.24Å; F842-M845 HydrophobicContact CG-CE 4.21Å; F842-M845 HydrophobicContact CZ-CE 4.11Å; F842-M845 WeakPolarHBondContact O-CB 3.43Å; F842-M845 PolarHBondContact O-N 3.36Å; L843-M845 VanDerWaalsContact C-N 3.27Å; L843-M845 PolarHBondContact O-N 3.28Å; M845-L847 VanDerWaalsContact C-N 3.27Å; M845-L847 PolarHBondContact O-N 3.38Å; M845-S848 WeakPolarHBondContact O-CB 3.48Å; M845-S848 PolarHBondContact O-N 2.93Å; M845-I849 HydrophobicContact CG-CD1 3.49Å; M845-I849 VanDerWaalsContact CG-CD1 3.49Å; M845-I849 HydrophobicContact CG-CG1 4.47Å; M845-I849 WeakPolarHBondContact O-CD1 3.42Å; M845-I849 WeakPolarHBondContact O-CG1 3.32Å; M845-I849 PolarHBondContact O-N 3.26Å; M845-I849 HydrophobicContact SD-CD1 4.35Å |
| 846 | L | 80.7 | Confident | 77.1 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.2 | -42 | 178.9 | -77 | 179.4 | 0 | 0 | 0 | 112.1 | M782 F783 A786 F842 L843 I849 L850 | M782-L846 HydrophobicContact CB-CD1 4.08Å; M782-L846 HydrophobicContact CB-CD2 4.13Å; M782-L846 HydrophobicContact CE-CD2 4.27Å; F783-L846 HydrophobicContact CE1-CB 4.23Å; A786-L846 HydrophobicContact CB-CD1 4.37Å; F842-L846 HydrophobicContact CD1-CD1 3.76Å; F842-L846 HydrophobicContact CD1-CG 4.05Å; F842-L846 HydrophobicContact CE1-CD1 3.41Å; F842-L846 VanDerWaalsContact CE1-CD1 3.41Å; F842-L846 HydrophobicContact CE1-CD2 4.13Å; F842-L846 HydrophobicContact CE1-CG 3.69Å; F842-L846 HydrophobicContact CZ-CD1 4.34Å; F842-L846 HydrophobicContact CZ-CD2 4.27Å; F842-L846 HydrophobicContact CZ-CG 4.22Å; F842-L846 PolarHBondContact O-N 3.42Å; L843-L846 PolarHBondContact O-N 2.81Å; L846-I849 PolarHBondContact O-N 3.25Å; L846-L850 VanDerWaalsContact O-CB 3.32Å; L846-L850 WeakPolarHBondContact O-CB 3.5Å; L846-L850 PolarHBondContact O-N 3.17Å |
| 847 | L | 82.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.8 | -68.4 | 164.7 | 0 | 0 | 0 | 111.5 | F783 L843 M845 I849 L850 T851 L908 K981 L982 C985 | F783-L847 HydrophobicContact CE1-CD2 4.08Å; F783-L847 HydrophobicContact CE1-CG 4.49Å; F783-L847 HydrophobicContact CZ-CD2 4.26Å; L843-L847 HydrophobicContact CD1-CD1 4.43Å; L843-L847 HydrophobicContact CD1-CG 4.46Å; L843-L847 HydrophobicContact CG-CD1 3.9Å; L843-L847 HydrophobicContact CG-CG 4.39Å; L843-L847 WeakPolarHBondContact O-CB 3.05Å; L843-L847 WeakPolarHBondContact O-CD1 3.23Å; L843-L847 WeakPolarHBondContact O-CG 3.42Å; L843-L847 PolarHBondContact O-N 2.84Å; M845-L847 VanDerWaalsContact C-N 3.27Å; M845-L847 PolarHBondContact O-N 3.38Å; L847-I849 PolarHBondContact O-N 3.27Å; L847-L850 PolarHBondContact O-N 2.75Å; L847-T851 WeakPolarHBondContact O-CB 3.41Å; L847-T851 PolarHBondContact O-N 3.49Å; L847-T851 PolarHBondContact O-OG1 2.96Å; L847-L908 HydrophobicContact CD2-CD2 3.65Å; L847-K981 HydrophobicContact CB-CB 4.19Å; L847-K981 HydrophobicContact CD1-CB 4.18Å; L847-L982 HydrophobicContact CD1-CD1 4.43Å; L847-L982 HydrophobicContact CD1-CD2 4.26Å; L847-L982 HydrophobicContact CD1-CG 3.68Å; L847-L982 HydrophobicContact CD2-CD2 3.62Å; L847-L982 HydrophobicContact CD2-CG 3.93Å; L847-L982 HydrophobicContact CG-CG 4.47Å; L847-C985 HydrophobicContact CD2-CB 4.26Å; L847-C985 PolarHBondContact O-SG 3.35Å |
| 848 | S | 81.4 | Confident | 75.8 | Confident | 46 Ų | 46 | 31 Ų | 31 | 32% | 0.322 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.7 | -159 | 0 | 0 | 0 | 0 | 111.4 | S844 M845 T851 E852 | S844-S848 PolarHBondContact O-N 2.98Å; M845-S848 WeakPolarHBondContact O-CB 3.48Å; M845-S848 PolarHBondContact O-N 2.93Å; S848-T851 PolarHBondContact O-N 3.39Å; S848-E852 PolarHBondContact O-N 3.27Å |
| 849 | I | 78.7 | Confident | 74.7 | Confident | 10 Ų | 10 | 33.3 Ų | 33.3 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 179.5 | -62.7 | 154.3 | 0 | 0 | 0 | 110.6 | F769 F779 M845 L846 L847 T851 E852 A853 | F769-I849 HydrophobicContact CB-CD1 3.53Å; F769-I849 HydrophobicContact CD2-CD1 4.25Å; F769-I849 HydrophobicContact CG-CD1 4.27Å; F779-I849 HydrophobicContact CE1-CG2 4.25Å; F779-I849 HydrophobicContact CZ-CG2 4.11Å; M845-I849 HydrophobicContact CG-CD1 3.49Å; M845-I849 VanDerWaalsContact CG-CD1 3.49Å; M845-I849 HydrophobicContact CG-CG1 4.47Å; M845-I849 WeakPolarHBondContact O-CD1 3.42Å; M845-I849 WeakPolarHBondContact O-CG1 3.32Å; M845-I849 PolarHBondContact O-N 3.26Å; M845-I849 HydrophobicContact SD-CD1 4.35Å; L846-I849 PolarHBondContact O-N 3.25Å; L847-I849 PolarHBondContact O-N 3.27Å; I849-T851 PolarHBondContact O-N 3.31Å; I849-E852 PolarHBondContact O-N 3.49Å; I849-A853 VanDerWaalsContact O-CB 3.22Å; I849-A853 WeakPolarHBondContact O-CB 3.28Å; I849-A853 PolarHBondContact O-N 2.77Å |
| 850 | L | 79.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 175.5 | -179.6 | 69.9 | 0 | 0 | 0 | 110.7 | F779 F783 L846 L847 E852 A853 V854 L857 L904 L908 C985 I989 | F779-L850 HydrophobicContact CB-CD1 4.36Å; F779-L850 HydrophobicContact CD1-CB 4.24Å; F779-L850 HydrophobicContact CD1-CD1 3.91Å; F779-L850 HydrophobicContact CD2-CD1 3.74Å; F779-L850 HydrophobicContact CE1-CB 3.92Å; F779-L850 HydrophobicContact CE1-CD1 4.06Å; F779-L850 HydrophobicContact CE2-CD1 3.88Å; F779-L850 HydrophobicContact CG-CD1 3.75Å; F779-L850 HydrophobicContact CZ-CB 4.32Å; F779-L850 HydrophobicContact CZ-CD1 4.05Å; F783-L850 HydrophobicContact CE2-CD2 3.81Å; F783-L850 HydrophobicContact CZ-CB 4.47Å; F783-L850 HydrophobicContact CZ-CD2 3.77Å; L846-L850 VanDerWaalsContact O-CB 3.32Å; L846-L850 WeakPolarHBondContact O-CB 3.5Å; L846-L850 PolarHBondContact O-N 3.17Å; L847-L850 PolarHBondContact O-N 2.75Å; L850-E852 PolarHBondContact O-N 2.93Å; L850-A853 CarbonylContact O-C 3.54Å; L850-A853 PolarHBondContact O-N 3.4Å; L850-V854 HydrophobicContact CG-CG2 4.45Å; L850-V854 WeakPolarHBondContact O-CG2 3.43Å; L850-V854 PolarHBondContact O-N 3.13Å; L850-L857 HydrophobicContact CD1-CD1 4.11Å; L850-L904 HydrophobicContact CD1-CD1 4.14Å; L850-L908 HydrophobicContact CD2-CD1 4.14Å; L850-L908 HydrophobicContact CD2-CD2 4.34Å; L850-C985 HydrophobicContact CD2-CB 4.48Å; L850-I989 HydrophobicContact CD2-CD1 4.36Å |
| 851 | T | 79.1 | Confident | 71.2 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 22% | 0.221 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.8 | -41.5 | 179.8 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | L847 S848 I849 I984 C985 T988 | L847-T851 WeakPolarHBondContact O-CB 3.41Å; L847-T851 PolarHBondContact O-N 3.49Å; L847-T851 PolarHBondContact O-OG1 2.96Å; S848-T851 PolarHBondContact O-N 3.39Å; I849-T851 PolarHBondContact O-N 3.31Å; T851-I984 HydrophobicContact CG2-CG2 3.67Å; T851-C985 PolarHBondContact OG1-SG 2.75Å; T851-T988 HydrophobicContact CG2-CG2 3.84Å |
| 852 | E | 77.6 | Confident | 69.1 | Low | 112 Ų | 112 | 43.4 Ų | 43.4 | 52% | 0.523 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.7 | -31.7 | 177.3 | -163.9 | -179.7 | 172.4 | 0 | 0 | 112.7 | S848 I849 L850 P855 | S848-E852 PolarHBondContact O-N 3.27Å; I849-E852 PolarHBondContact O-N 3.49Å; L850-E852 PolarHBondContact O-N 2.93Å; E852-P855 WeakPolarHBondContact O-CD 3.48Å |
| 853 | A | 74.4 | Confident | 66.9 | Low | 12 Ų | 12 | 46.3 Ų | 46.3 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -82 | -21.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F779 I849 L850 P855 R856 L857 | F779-A853 HydrophobicContact CE2-CB 3.96Å; F779-A853 HydrophobicContact CZ-CB 3.88Å; I849-A853 VanDerWaalsContact O-CB 3.22Å; I849-A853 WeakPolarHBondContact O-CB 3.28Å; I849-A853 PolarHBondContact O-N 2.77Å; L850-A853 CarbonylContact O-C 3.54Å; L850-A853 PolarHBondContact O-N 3.4Å; A853-P855 VanDerWaalsContact C-N 3.32Å; A853-P855 VanDerWaalsContact O-N 3.14Å; A853-R856 WeakPolarHBondContact O-CA 3.29Å; A853-R856 WeakPolarHBondContact O-CB 3.26Å; A853-R856 PolarHBondContact O-N 3.21Å; A853-L857 PolarHBondContact O-N 3.46Å; A853-L857 VanDerWaalsContact O-N 3.17Å |
| 854 | V | 74.5 | Confident | 64.5 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -47.2 | -177.4 | -173.5 | 0 | 0 | 0 | 0 | 113.3 | L850 R856 L857 M901 I989 E992 | L850-V854 HydrophobicContact CG-CG2 4.45Å; L850-V854 WeakPolarHBondContact O-CG2 3.43Å; L850-V854 PolarHBondContact O-N 3.13Å; V854-R856 VanDerWaalsContact C-N 3.29Å; V854-R856 PolarHBondContact O-N 3.35Å; V854-L857 PolarHBondContact O-N 3.44Å; V854-M901 HydrophobicContact CG1-CE 3.64Å; V854-I989 HydrophobicContact CG1-CG1 4.21Å; V854-I989 HydrophobicContact CG2-CG1 4.2Å; V854-E992 HydrophobicContact CG1-CB 4.01Å; V854-E992 HydrophobicContact CG1-CG 3.66Å |
| 855 | P | 66.6 | Low | 62.2 | Low | 70 Ų | 70 | 54.8 Ų | 54.8 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -30 | -179.9 | -16.8 | 31.4 | 0 | 0 | 0 | 113 | E852 A853 | E852-P855 WeakPolarHBondContact O-CD 3.48Å; A853-P855 VanDerWaalsContact C-N 3.32Å; A853-P855 VanDerWaalsContact O-N 3.14Å |
| 856 | R | 64.8 | Low | 59.7 | Low | 103 Ų | 103 | 59.7 Ų | 59.7 | 39% | 0.389 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.5 | -34.2 | -177.2 | -59.6 | -178.6 | -177.8 | 165.3 | 6 | 111.9 | H773 A853 V854 Q858 S859 | H773-R856 PolarHBondContact CE1-NH1 3.32Å; A853-R856 WeakPolarHBondContact O-CA 3.29Å; A853-R856 WeakPolarHBondContact O-CB 3.26Å; A853-R856 PolarHBondContact O-N 3.21Å; V854-R856 VanDerWaalsContact C-N 3.29Å; V854-R856 PolarHBondContact O-N 3.35Å; R856-Q858 PolarHBondContact O-N 3Å; R856-Q858 VanDerWaalsContact O-N 3.08Å; R856-S859 PolarHBondContact O-N 3.09Å; R856-S859 PolarHBondContact O-OG 3.03Å |
| 857 | L | 62.7 | Low | 57.1 | Low | 24 Ų | 24 | 67.3 Ų | 67.3 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.4 | -24.8 | -175.1 | -71.5 | 174.4 | 0 | 0 | 0 | 114.1 | L774 T776 F779 L850 A853 V854 M901 | L774-L857 VanDerWaalsContact O-CD2 3.26Å; L774-L857 WeakPolarHBondContact O-CD2 3.18Å; T776-L857 HydrophobicContact CG2-CD1 4.21Å; T776-L857 HydrophobicContact CG2-CD2 4.25Å; F779-L857 HydrophobicContact CD2-CD1 4.32Å; F779-L857 HydrophobicContact CD2-CD2 4.38Å; F779-L857 HydrophobicContact CE2-CD1 4.35Å; F779-L857 HydrophobicContact CE2-CD2 4.29Å; L850-L857 HydrophobicContact CD1-CD1 4.11Å; A853-L857 PolarHBondContact O-N 3.46Å; A853-L857 VanDerWaalsContact O-N 3.17Å; V854-L857 PolarHBondContact O-N 3.44Å; L857-M901 HydrophobicContact CB-SD 4.08Å; L857-M901 HydrophobicContact CD1-SD 3.59Å; L857-M901 VanDerWaalsContact CD1-SD 3.59Å; L857-M901 HydrophobicContact CG-SD 4.48Å |
| 858 | Q | 55.8 | Low | 54.5 | Low | 68 Ų | 68 | 74.5 Ų | 74.5 | 32% | 0.318 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -86.4 | -30.1 | 175.3 | -68.9 | -177.7 | -2.3 | 0 | 0 | 114.1 | R856 Y860 V996 | R856-Q858 PolarHBondContact O-N 3Å; R856-Q858 VanDerWaalsContact O-N 3.08Å; Q858-Y860 VanDerWaalsContact C-N 3.26Å; Q858-Y860 PolarHBondContact O-N 3.36Å; Q858-V996 VanDerWaalsContact CD-CG2 3.48Å; Q858-V996 VanDerWaalsContact NE2-CG2 3.27Å |
| 859 | S | 49.9 | Very low | 51.9 | Low | 66 Ų | 66 | 81.9 Ų | 81.9 | 46% | 0.462 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.1 | -26.8 | -174.7 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | R856 E861 I862 A863 | R856-S859 PolarHBondContact O-N 3.09Å; R856-S859 PolarHBondContact O-OG 3.03Å; S859-E861 VanDerWaalsContact C-N 3.28Å; S859-E861 PolarHBondContact O-N 2.82Å; S859-I862 PolarHBondContact O-N 3.11Å; S859-A863 PolarHBondContact O-N 3.44Å |
| 860 | Y | 43.5 | Very low | 49.3 | Very low | 141 Ų | 141 | 86.3 Ų | 86.3 | 55% | 0.553 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.5 | -28.3 | -176 | -125.5 | -90.8 | 0 | 0 | 0 | 113.2 | Q858 | Q858-Y860 VanDerWaalsContact C-N 3.26Å; Q858-Y860 PolarHBondContact O-N 3.36Å |
| 861 | E | 38.1 | Very low | 46.8 | Very low | 84 Ų | 84 | 96.5 Ų | 96.5 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.7 | -26.4 | 177.3 | -73.6 | -170.2 | 157.9 | 0 | 0 | 113.4 | S859 S864 | S859-E861 VanDerWaalsContact C-N 3.28Å; S859-E861 PolarHBondContact O-N 2.82Å; E861-S864 PolarHBondContact O-OG 3.26Å |
| 862 | I | 35.9 | Very low | 44.1 | Very low | 123 Ų | 123 | 100.3 Ų | 100.3 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -79.1 | -34.5 | 179.6 | -55.4 | 177.6 | 0 | 0 | 0 | 110.3 | S859 T865 | S859-I862 PolarHBondContact O-N 3.11Å; I862-T865 PolarHBondContact O-OG1 3.33Å; I862-T865 VanDerWaalsContact O-OG1 3.11Å |
| 863 | A | 31.9 | Very low | 41.6 | Very low | 61 Ų | 61 | 101.1 Ų | 101.1 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.9 | -34 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S859 T865 V866 | S859-A863 PolarHBondContact O-N 3.44Å; A863-T865 VanDerWaalsContact C-N 3.25Å; A863-T865 PolarHBondContact O-N 3.2Å; A863-V866 PolarHBondContact O-N 3.04Å |
| 864 | S | 32.8 | Very low | 39.2 | Very low | 79 Ų | 79 | 107.4 Ų | 107.4 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70 | -19.3 | -178.8 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | E861 | E861-S864 PolarHBondContact O-OG 3.26Å |
| 865 | T | 32.8 | Very low | 36.8 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -90.6 | -15.2 | 179 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | I862 A863 | I862-T865 PolarHBondContact O-OG1 3.33Å; I862-T865 VanDerWaalsContact O-OG1 3.11Å; A863-T865 VanDerWaalsContact C-N 3.25Å; A863-T865 PolarHBondContact O-N 3.2Å |
| 866 | V | 30 | Very low | 34.9 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -93.7 | -17 | -176.5 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | A863 N868 | A863-V866 PolarHBondContact O-N 3.04Å; V866-N868 PolarHBondContact O-N 2.99Å |
| 867 | Q | 26.7 | Very low | 32.9 | Very low | 161 Ų | 161 | 120.2 Ų | 120.2 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 4.4 | -176.7 | -75.2 | -170.4 | -14.9 | 0 | 0 | 116.4 | ||
| 868 | N | 28 | Very low | 31 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 23.4 | 176 | -79.4 | -15.2 | 0 | 0 | 0 | 114.7 | V866 | V866-N868 PolarHBondContact O-N 2.99Š|
| 869 | K | 26.8 | Very low | 29.4 | Very low | 201 Ų | 201 | 128.1 Ų | 128.1 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -122.2 | 72.3 | 174.5 | -76.1 | -173 | 176.6 | -178.8 | 0 | 112.1 | ||||
| 870 | S | 24.8 | Very low | 28.1 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -147.1 | 69.4 | 165.7 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 871 | K | 27.2 | Very low | 27.3 | Very low | 214 Ų | 214 | 128.6 Ų | 128.6 | 93% | 0.93 | 73% | 0.73 | S | S | * | * | trans | -165.1 | 76.7 | 159.7 | -103.8 | 169 | -167.2 | -173.2 | 0 | 107.5 | ||||
| 872 | S | 21.4 | Very low | 26.6 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -134.1 | 90.4 | 169.6 | 60.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 873 | V | 24.6 | Very low | 26 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | -130.8 | 116.1 | 161 | 176.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 874 | D | 24.1 | Very low | 25.5 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | 65 | 102 | 160.5 | -54.7 | -21.8 | 0 | 0 | 0 | 120.7 | ||||
| 875 | L | 25.5 | Very low | 25.1 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -162.8 | 85.3 | 137.8 | -104.8 | 142.5 | 0 | 0 | 0 | 110.2 | ||||
| 876 | N | 24.8 | Very low | 24.7 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -77.7 | 113.6 | 154.2 | -85.2 | -24 | 0 | 0 | 0 | 107.9 | ||||
| 877 | T | 24.3 | Very low | 25.1 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | trans | -174.8 | 117.8 | 143.4 | 32 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 878 | S | 22.8 | Very low | 25 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 17.7 | 126.2 | 146.2 | 58.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 879 | L | 22.6 | Very low | 24.9 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | -177.1 | 104.9 | 113.4 | -97.6 | 145.1 | 0 | 0 | 0 | 111.1 | |||||
| 880 | T | 22.3 | Very low | 24.8 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -54.5 | 139.9 | 147.4 | 42.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 881 | A | 25.8 | Very low | 24.9 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 71.4 | 116.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 882 | V | 24.5 | Very low | 24.9 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | 172.4 | 121.4 | 108.7 | 160.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 883 | D | 22.5 | Very low | 25.1 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 48.9 | 106.2 | 147.2 | -59.5 | -24.3 | 0 | 0 | 0 | 123 | ||||
| 884 | T | 22.3 | Very low | 25.2 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -25.2 | 119.7 | 134.9 | 47.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 885 | K | 23 | Very low | 25.4 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -169.6 | 104.3 | 135.3 | -101.5 | 163.4 | -171.2 | -177.5 | 0 | 112.2 | ||||
| 886 | S | 24.1 | Very low | 25.6 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 66.6 | 152 | 148.2 | 64.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 887 | P | 39.5 | Very low | 26.1 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | cis | -133.8 | 134.1 | -35.1 | 32.9 | -14.7 | 0 | 0 | 0 | 114.6 | ||||
| 888 | N | 24 | Very low | 26.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 40.2 | 75.7 | 138.8 | -62.7 | -13.8 | 0 | 0 | 0 | 120.5 | V890 | N888-V890 PolarHBondContact O-N 3.24Š| ||
| 889 | I | 25.5 | Very low | 28 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -81.9 | 102.8 | 146.9 | -65.5 | 171.2 | 0 | 0 | 0 | 107.1 | V891 | I889-V891 VanDerWaalsContact C-N 3.33Å; I889-V891 HydrophobicContact CG2-CG2 4.46Å; I889-V891 PolarHBondContact O-N 3.36Å | ||
| 890 | V | 26.2 | Very low | 29.5 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | trans | -69.4 | 88.9 | 177.6 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | N888 K892 | N888-V890 PolarHBondContact O-N 3.24Å; V890-K892 VanDerWaalsContact C-N 3.27Å; V890-K892 HydrophobicContact CG1-CG 4.3Å; V890-K892 PolarHBondContact O-N 2.86Å | ||
| 891 | V | 25.4 | Very low | 31.3 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | trans | -68.6 | 90.7 | 163.2 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | I889 K893 | I889-V891 VanDerWaalsContact C-N 3.33Å; I889-V891 HydrophobicContact CG2-CG2 4.46Å; I889-V891 PolarHBondContact O-N 3.36Å; V891-K893 PolarHBondContact O-N 3.24Å | ||
| 892 | K | 27 | Very low | 32.9 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | trans | -57.5 | 104.2 | 164.7 | -86.9 | -179 | 174.5 | 178 | 0 | 107.3 | V890 I894 | V890-K892 VanDerWaalsContact C-N 3.27Å; V890-K892 HydrophobicContact CG1-CG 4.3Å; V890-K892 PolarHBondContact O-N 2.86Å; K892-I894 PolarHBondContact O-N 3.35Å | ||
| 893 | K | 26.5 | Very low | 34.7 | Very low | 181 Ų | 181 | 123.6 Ų | 123.6 | 79% | 0.787 | 65% | 0.648 | S | S | * | * | trans | -61.9 | 99.6 | 167.3 | -76.8 | 177.8 | 176.4 | 172.2 | 0 | 107.6 | V891 K895 | V891-K893 PolarHBondContact O-N 3.24Å; K893-K895 VanDerWaalsContact C-N 3.28Å; K893-K895 PolarHBondContact O-N 3.17Å | ||
| 894 | I | 27.2 | Very low | 37 | Very low | 138 Ų | 138 | 116.9 Ų | 116.9 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | trans | -66.5 | 92.6 | 166.9 | -58.9 | 167.8 | 0 | 0 | 0 | 106.2 | K892 | K892-I894 PolarHBondContact O-N 3.35Š| ||
| 895 | K | 27.8 | Very low | 39.4 | Very low | 170 Ų | 170 | 111 Ų | 111 | 74% | 0.739 | 58% | 0.576 | S | S | * | * | trans | -122.4 | 98.2 | 163.9 | -79.5 | -174.4 | 173.6 | -171.1 | 0 | 103.6 | K893 | K893-K895 VanDerWaalsContact C-N 3.28Å; K893-K895 PolarHBondContact O-N 3.17Å | ||
| 896 | D | 29.4 | Very low | 41.5 | Very low | 133 Ų | 133 | 103.9 Ų | 103.9 | 71% | 0.711 | 55% | 0.548 | S | S | * | . | trans | 168.7 | 80.4 | 162.5 | -82.5 | -21.5 | 0 | 0 | 0 | 109.1 | ||||
| 897 | H | 34.3 | Very low | 43.6 | Very low | 129 Ų | 129 | 98.9 Ų | 98.9 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | trans | -134.9 | 15.6 | 172.3 | -77.3 | -51.3 | 0 | 0 | 0 | 115.5 | L899 P900 | H897-L899 PolarHBondContact O-N 3.14Å; H897-P900 WeakPolarHBondContact O-CD 3.48Å | ||
| 898 | N | 39.2 | Very low | 45.4 | Very low | 135 Ų | 135 | 93.7 Ų | 93.7 | 72% | 0.722 | 48% | 0.48 | S | S | * | . | trans | -71.3 | 20.6 | 173.1 | -73.5 | 9.8 | 0 | 0 | 0 | 114.6 | P900 | N898-P900 VanDerWaalsContact C-CD 3.46Š| ||
| 899 | L | 48.7 | Very low | 47.8 | Very low | 85 Ų | 85 | 86.5 Ų | 86.5 | 45% | 0.445 | 44% | 0.441 | S | S | . | . | trans | -84.9 | -23 | -175.7 | -81.9 | 91.2 | 0 | 0 | 0 | 117.7 | H897 M901 N902 | H897-L899 PolarHBondContact O-N 3.14Å; L899-M901 PolarHBondContact O-N 3.37Å; L899-N902 PolarHBondContact O-N 3.33Å | ||
| 900 | P | 54.9 | Low | 50 | Low | 42 Ų | 42 | 80.5 Ų | 80.5 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.2 | -19.2 | -160 | 28.1 | -35.5 | 0 | 0 | 0 | 115.6 | T776 H897 N898 | T776-P900 HydrophobicContact CG2-CB 4.2Å; H897-P900 WeakPolarHBondContact O-CD 3.48Å; N898-P900 VanDerWaalsContact C-CD 3.46Å |
| 901 | M | 58.8 | Low | 52.5 | Low | 24 Ų | 24 | 75 Ų | 75 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -75.1 | -31.5 | 178.2 | -94 | -68.6 | -77.3 | 0 | 0 | 113.2 | T776 V854 L857 L899 D903 L904 I989 | T776-M901 HydrophobicContact CG2-CG 4.04Å; T776-M901 HydrophobicContact CG2-SD 3.99Å; V854-M901 HydrophobicContact CG1-CE 3.64Å; L857-M901 HydrophobicContact CB-SD 4.08Å; L857-M901 HydrophobicContact CD1-SD 3.59Å; L857-M901 VanDerWaalsContact CD1-SD 3.59Å; L857-M901 HydrophobicContact CG-SD 4.48Å; L899-M901 PolarHBondContact O-N 3.37Å; M901-D903 VanDerWaalsContact C-N 3.26Å; M901-D903 PolarHBondContact O-N 3.38Å; M901-L904 PolarHBondContact O-N 3.03Å; M901-L904 HydrophobicContact SD-CD1 4.11Å; M901-I989 HydrophobicContact CE-CB 4.46Å; M901-I989 HydrophobicContact CE-CG1 4.07Å; M901-I989 HydrophobicContact CE-CG2 4.08Å |
| 902 | N | 60.5 | Low | 55.1 | Low | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72.4 | -24.4 | 179.7 | -73.8 | -18.7 | 0 | 0 | 0 | 112 | L899 L904 I905 | L899-N902 PolarHBondContact O-N 3.33Å; N902-L904 PolarHBondContact O-N 3.06Å; N902-I905 WeakPolarHBondContact O-CB 3.39Å; N902-I905 PolarHBondContact O-N 2.98Å |
| 903 | D | 62.6 | Low | 57.3 | Low | 93 Ų | 93 | 63.5 Ų | 63.5 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.4 | -28.2 | 179.5 | -63.9 | -25.9 | 0 | 0 | 0 | 111.8 | M901 I905 P907 | M901-D903 VanDerWaalsContact C-N 3.26Å; M901-D903 PolarHBondContact O-N 3.38Å; D903-I905 VanDerWaalsContact C-N 3.32Å; D903-I905 PolarHBondContact O-N 3.47Å; D903-P907 WeakPolarHBondContact O-CD 3.44Å |
| 904 | L | 71 | Confident | 59.5 | Low | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.5 | 175.9 | -68.5 | 174.4 | 0 | 0 | 0 | 114.1 | T776 F779 D780 F783 L850 M901 N902 T906 P907 L908 | T776-L904 HydrophobicContact CG2-CD1 4.19Å; F779-L904 HydrophobicContact CB-CD1 4.45Å; F779-L904 HydrophobicContact CB-CD2 3.93Å; D780-L904 HydrophobicContact CB-CD2 4.09Å; F783-L904 HydrophobicContact CD2-CD2 4.24Å; F783-L904 HydrophobicContact CE2-CD2 4.46Å; L850-L904 HydrophobicContact CD1-CD1 4.14Å; M901-L904 PolarHBondContact O-N 3.03Å; M901-L904 HydrophobicContact SD-CD1 4.11Å; N902-L904 PolarHBondContact O-N 3.06Å; L904-T906 VanDerWaalsContact C-N 3.33Å; L904-T906 PolarHBondContact O-N 3.35Å; L904-P907 VanDerWaalsContact O-CD 3.28Å; L904-P907 WeakPolarHBondContact O-CD 3.29Å; L904-P907 VanDerWaalsContact O-CG 3.31Å; L904-P907 WeakPolarHBondContact O-CG 3.33Å; L904-L908 WeakPolarHBondContact O-CD1 3.35Å; L904-L908 WeakPolarHBondContact O-CG 3.42Å; L904-L908 PolarHBondContact O-N 3.26Å |
| 905 | I | 71.9 | Confident | 61.9 | Low | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -42 | -179.8 | -63.7 | 168.5 | 0 | 0 | 0 | 110.1 | N902 D903 L908 V909 I989 F990 | N902-I905 WeakPolarHBondContact O-CB 3.39Å; N902-I905 PolarHBondContact O-N 2.98Å; D903-I905 VanDerWaalsContact C-N 3.32Å; D903-I905 PolarHBondContact O-N 3.47Å; I905-L908 PolarHBondContact O-N 3.39Å; I905-V909 HydrophobicContact CG2-CG2 4.02Å; I905-V909 WeakPolarHBondContact O-CB 3.37Å; I905-V909 VanDerWaalsContact O-CG2 3.23Å; I905-V909 WeakPolarHBondContact O-CG2 3.42Å; I905-V909 PolarHBondContact O-N 2.92Å; I905-I989 HydrophobicContact CD1-CG2 4.44Å; I905-I989 HydrophobicContact CG1-CG2 4.2Å; I905-F990 HydrophobicContact CD1-CE1 3.92Å |
| 906 | T | 66.6 | Low | 64.3 | Low | 45 Ų | 45 | 42.5 Ų | 42.5 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.4 | -54 | -177.6 | -47 | 0 | 0 | 0 | 0 | 112.8 | F800 L904 L908 V909 N910 | F800-T906 HydrophobicContact CE2-CG2 4.36Å; L904-T906 VanDerWaalsContact C-N 3.33Å; L904-T906 PolarHBondContact O-N 3.35Å; T906-L908 PolarHBondContact O-N 3.49Å; T906-V909 PolarHBondContact O-N 2.89Å; T906-N910 VanDerWaalsContact O-CG 3.26Å; T906-N910 PolarHBondContact O-N 3.37Å; T906-N910 PolarHBondContact O-ND2 3.25Å |
| 907 | P | 67.7 | Low | 66.5 | Low | 7 Ų | 7 | 38.3 Ų | 38.3 | 5% | 0.045 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 177 | 23.3 | -31.9 | 0 | 0 | 0 | 112.6 | F783 D903 L904 V909 N910 H911 | F783-P907 HydrophobicContact CB-CB 4.27Å; D903-P907 WeakPolarHBondContact O-CD 3.44Å; L904-P907 VanDerWaalsContact O-CD 3.28Å; L904-P907 WeakPolarHBondContact O-CD 3.29Å; L904-P907 VanDerWaalsContact O-CG 3.31Å; L904-P907 WeakPolarHBondContact O-CG 3.33Å; P907-V909 PolarHBondContact O-N 2.91Å; P907-N910 PolarHBondContact O-N 3.37Å; P907-H911 PolarHBondContact O-CD2 2.72Å; P907-H911 PolarHBondContact O-N 3.02Å |
| 908 | L | 77.9 | Confident | 68.4 | Low | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 177.4 | -67.8 | 171.7 | 0 | 0 | 0 | 112.2 | F783 L847 L850 L904 I905 T906 N910 H911 L912 L982 I986 I989 | F783-L908 HydrophobicContact CD1-CD2 4.47Å; F783-L908 HydrophobicContact CE1-CD2 3.93Å; F783-L908 HydrophobicContact CE2-CD2 4.18Å; F783-L908 HydrophobicContact CZ-CD2 3.78Å; L847-L908 HydrophobicContact CD2-CD2 3.65Å; L850-L908 HydrophobicContact CD2-CD1 4.14Å; L850-L908 HydrophobicContact CD2-CD2 4.34Å; L904-L908 WeakPolarHBondContact O-CD1 3.35Å; L904-L908 WeakPolarHBondContact O-CG 3.42Å; L904-L908 PolarHBondContact O-N 3.26Å; I905-L908 PolarHBondContact O-N 3.39Å; T906-L908 PolarHBondContact O-N 3.49Å; L908-N910 VanDerWaalsContact C-N 3.34Å; L908-H911 PolarHBondContact O-N 2.77Å; L908-L912 PolarHBondContact O-N 2.96Å; L908-L982 HydrophobicContact CB-CD2 4.15Å; L908-L982 HydrophobicContact CD2-CD2 3.71Å; L908-I986 HydrophobicContact CB-CD1 4.47Å; L908-I986 HydrophobicContact CB-CG1 4.32Å; L908-I986 HydrophobicContact CD1-CG1 4.36Å; L908-I989 HydrophobicContact CD1-CD1 3.47Å; L908-I989 VanDerWaalsContact CD1-CD1 3.47Å |
| 909 | V | 74.3 | Confident | 70.1 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | I905 T906 P907 L912 T913 V1024 A1025 P1028 | I905-V909 HydrophobicContact CG2-CG2 4.02Å; I905-V909 WeakPolarHBondContact O-CB 3.37Å; I905-V909 VanDerWaalsContact O-CG2 3.23Å; I905-V909 WeakPolarHBondContact O-CG2 3.42Å; I905-V909 PolarHBondContact O-N 2.92Å; T906-V909 PolarHBondContact O-N 2.89Å; P907-V909 PolarHBondContact O-N 2.91Å; V909-L912 WeakPolarHBondContact O-CB 3.34Å; V909-L912 PolarHBondContact O-N 3.49Å; V909-T913 HydrophobicContact CG1-CG2 4.43Å; V909-T913 WeakPolarHBondContact O-CG2 3.24Å; V909-T913 PolarHBondContact O-N 2.96Å; V909-T913 PolarHBondContact O-OG1 3.37Å; V909-V1024 HydrophobicContact CG1-CG1 4.38Å; V909-A1025 HydrophobicContact CG2-CB 3.52Å; V909-P1028 HydrophobicContact CG1-CG 4.07Å |
| 910 | N | 72.5 | Confident | 71.5 | Confident | 31 Ų | 31 | 27.7 Ų | 27.7 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.1 | -68.5 | -38.2 | 0 | 0 | 0 | 111.8 | L799 T906 P907 L908 L912 T913 S914 | L799-N910 HydrophobicContact CD2-CB 4.21Å; L799-N910 WeakPolarHBondContact CD2-ND2 3.49Å; T906-N910 VanDerWaalsContact O-CG 3.26Å; T906-N910 PolarHBondContact O-N 3.37Å; T906-N910 PolarHBondContact O-ND2 3.25Å; P907-N910 PolarHBondContact O-N 3.37Å; L908-N910 VanDerWaalsContact C-N 3.34Å; N910-L912 PolarHBondContact O-N 2.87Å; N910-T913 PolarHBondContact O-N 3.17Å; N910-T913 PolarHBondContact O-OG1 2.93Å; N910-S914 WeakPolarHBondContact O-CB 3.08Å; N910-S914 PolarHBondContact O-N 2.97Å |
| 911 | H | 78.9 | Confident | 72.3 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -44 | 171.5 | -79.5 | -70.6 | 0 | 0 | 0 | 111.9 | F783 P907 L908 T913 S914 I915 L982 | F783-H911 PolarHBondContact O-NE2 2.86Å; F783-H911 VanDerWaalsContact O-NE2 3.09Å; P907-H911 PolarHBondContact O-CD2 2.72Å; P907-H911 PolarHBondContact O-N 3.02Å; L908-H911 PolarHBondContact O-N 2.77Å; H911-T913 PolarHBondContact O-N 3.23Å; H911-S914 PolarHBondContact O-N 3.27Å; H911-I915 WeakPolarHBondContact O-CD1 3.07Å; H911-I915 WeakPolarHBondContact O-CG1 3.5Å; H911-I915 PolarHBondContact O-N 3.02Å; H911-L982 HydrophobicContact CB-CD1 4.35Å; H911-L982 HydrophobicContact CB-CD2 4.43Å |
| 912 | L | 78.8 | Confident | 72.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 175.7 | -178.6 | 67.6 | 0 | 0 | 0 | 111.9 | L908 V909 N910 S914 I915 L916 I979 P1028 I1029 | L908-L912 PolarHBondContact O-N 2.96Å; V909-L912 WeakPolarHBondContact O-CB 3.34Å; V909-L912 PolarHBondContact O-N 3.49Å; N910-L912 PolarHBondContact O-N 2.87Å; L912-S914 VanDerWaalsContact C-N 3.34Å; L912-S914 PolarHBondContact O-N 2.95Å; L912-I915 PolarHBondContact O-N 3.34Å; L912-L916 HydrophobicContact CD1-CD1 4.3Å; L912-L916 HydrophobicContact CD1-CG 4.4Å; L912-L916 HydrophobicContact CG-CD1 3.98Å; L912-L916 HydrophobicContact CG-CG 4.47Å; L912-L916 WeakPolarHBondContact O-CB 3.37Å; L912-L916 VanDerWaalsContact O-CG 3.3Å; L912-L916 WeakPolarHBondContact O-CG 3.49Å; L912-L916 PolarHBondContact O-N 2.8Å; L912-I979 HydrophobicContact CD1-CG2 4.05Å; L912-P1028 HydrophobicContact CD2-CB 3.99Å; L912-I1029 HydrophobicContact CD2-CG1 4.06Å |
| 913 | T | 74.3 | Confident | 73.4 | Confident | 52 Ų | 52 | 31.6 Ų | 31.6 | 32% | 0.319 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 179 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | V909 N910 H911 N917 P1028 | V909-T913 HydrophobicContact CG1-CG2 4.43Å; V909-T913 WeakPolarHBondContact O-CG2 3.24Å; V909-T913 PolarHBondContact O-N 2.96Å; V909-T913 PolarHBondContact O-OG1 3.37Å; N910-T913 PolarHBondContact O-N 3.17Å; N910-T913 PolarHBondContact O-OG1 2.93Å; H911-T913 PolarHBondContact O-N 3.23Å; T913-N917 VanDerWaalsContact O-CB 3.24Å; T913-N917 WeakPolarHBondContact O-CB 3.22Å; T913-N917 PolarHBondContact O-N 3.1Å; T913-P1028 HydrophobicContact CG2-CB 3.73Å; T913-P1028 HydrophobicContact CG2-CG 3.49Å; T913-P1028 VanDerWaalsContact CG2-CG 3.49Å |
| 914 | S | 72.5 | Confident | 73.7 | Confident | 43 Ų | 43 | 32.9 Ų | 32.9 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63 | -45.9 | 176 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | P788 N910 H911 L912 N917 M918 | P788-S914 WeakPolarHBondContact CG-OG 3.3Å; N910-S914 WeakPolarHBondContact O-CB 3.08Å; N910-S914 PolarHBondContact O-N 2.97Å; H911-S914 PolarHBondContact O-N 3.27Å; L912-S914 VanDerWaalsContact C-N 3.34Å; L912-S914 PolarHBondContact O-N 2.95Å; S914-N917 PolarHBondContact O-N 2.94Å; S914-M918 WeakPolarHBondContact O-CB 3.22Å; S914-M918 PolarHBondContact O-N 3.26Å |
| 915 | I | 77.7 | Confident | 73.3 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 179.6 | -63.6 | 166.6 | 0 | 0 | 0 | 111.2 | L843 H911 L912 N917 M918 E919 L975 C978 I979 L982 | L843-I915 HydrophobicContact CD2-CD1 4.12Å; H911-I915 WeakPolarHBondContact O-CD1 3.07Å; H911-I915 WeakPolarHBondContact O-CG1 3.5Å; H911-I915 PolarHBondContact O-N 3.02Å; L912-I915 PolarHBondContact O-N 3.34Å; I915-N917 VanDerWaalsContact C-N 3.34Å; I915-N917 PolarHBondContact O-N 3.39Å; I915-M918 WeakPolarHBondContact O-CB 3.35Å; I915-M918 PolarHBondContact O-N 3.42Å; I915-E919 PolarHBondContact O-N 3.44Å; I915-L975 HydrophobicContact CG2-CD2 3.38Å; I915-L975 HydrophobicContact CG2-CG 3.78Å; I915-C978 HydrophobicContact CD1-CB 4.19Å; I915-I979 HydrophobicContact CB-CG1 4.31Å; I915-I979 HydrophobicContact CG2-CD1 3.65Å; I915-I979 HydrophobicContact CG2-CG1 3.45Å; I915-I979 VanDerWaalsContact CG2-CG1 3.45Å; I915-L982 HydrophobicContact CD1-CD1 3.49Å; I915-L982 VanDerWaalsContact CD1-CD1 3.49Å |
| 916 | L | 77.8 | Confident | 72.8 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 176 | -72.9 | 170.8 | 0 | 0 | 0 | 112.2 | L912 M918 E919 Q920 I979 P1028 L1031 V1035 Y1036 | L912-L916 HydrophobicContact CD1-CD1 4.3Å; L912-L916 HydrophobicContact CD1-CG 4.4Å; L912-L916 HydrophobicContact CG-CD1 3.98Å; L912-L916 HydrophobicContact CG-CG 4.47Å; L912-L916 WeakPolarHBondContact O-CB 3.37Å; L912-L916 VanDerWaalsContact O-CG 3.3Å; L912-L916 WeakPolarHBondContact O-CG 3.49Å; L912-L916 PolarHBondContact O-N 2.8Å; L916-M918 VanDerWaalsContact C-N 3.33Å; L916-E919 PolarHBondContact O-N 3.31Å; L916-Q920 WeakPolarHBondContact O-CG 3.25Å; L916-Q920 PolarHBondContact O-N 2.81Å; L916-I979 HydrophobicContact CD2-CD1 4.3Å; L916-P1028 HydrophobicContact CD1-CB 4.36Å; L916-P1028 WeakPolarHBondContact CD1-O 3.37Å; L916-L1031 HydrophobicContact CD1-CB 4.47Å; L916-L1031 HydrophobicContact CD1-CD2 4.29Å; L916-V1035 HydrophobicContact CD2-CB 4.36Å; L916-V1035 HydrophobicContact CD2-CG1 4.4Å; L916-V1035 HydrophobicContact CD2-CG2 4.49Å; L916-Y1036 HydrophobicContact CD2-CE2 3.97Å |
| 917 | N | 74.9 | Confident | 72.5 | Confident | 46 Ų | 46 | 41.6 Ų | 41.6 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 176.6 | -175.6 | 65.6 | 0 | 0 | 0 | 111.7 | R810 T913 S914 I915 Q920 N921 | R810-N917 PolarHBondContact NH2-ND2 3.35Å; R810-N917 PolarHBondContact NH2-OD1 3.16Å; T913-N917 VanDerWaalsContact O-CB 3.24Å; T913-N917 WeakPolarHBondContact O-CB 3.22Å; T913-N917 PolarHBondContact O-N 3.1Å; S914-N917 PolarHBondContact O-N 2.94Å; I915-N917 VanDerWaalsContact C-N 3.34Å; I915-N917 PolarHBondContact O-N 3.39Å; N917-Q920 PolarHBondContact O-N 3.33Å; N917-N921 WeakPolarHBondContact O-CB 3.45Å; N917-N921 PolarHBondContact O-N 3.2Å; N917-N921 PolarHBondContact O-ND2 3.31Å |
| 918 | M | 74.1 | Confident | 72 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 173.4 | -172.2 | 175.8 | -115 | 0 | 0 | 111.5 | E836 S914 I915 L916 N921 L922 L975 | E836-M918 HydrophobicContact CG-CE 4.11Å; S914-M918 WeakPolarHBondContact O-CB 3.22Å; S914-M918 PolarHBondContact O-N 3.26Å; I915-M918 WeakPolarHBondContact O-CB 3.35Å; I915-M918 PolarHBondContact O-N 3.42Å; L916-M918 VanDerWaalsContact C-N 3.33Å; M918-N921 PolarHBondContact O-N 3.26Å; M918-L922 HydrophobicContact CG-CD1 4.41Å; M918-L922 WeakPolarHBondContact O-CG 3.49Å; M918-L922 PolarHBondContact O-N 3.11Å; M918-L975 HydrophobicContact CB-CD2 4.49Å; M918-L975 HydrophobicContact CG-CD1 4.36Å; M918-L975 HydrophobicContact SD-CD1 3.83Å |
| 919 | E | 76.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175 | -173.9 | 79.9 | -155.4 | 0 | 0 | 112.2 | I915 L916 N921 L922 K923 R972 L975 V1035 Y1036 | I915-E919 PolarHBondContact O-N 3.44Å; L916-E919 PolarHBondContact O-N 3.31Å; E919-N921 VanDerWaalsContact C-N 3.35Å; E919-N921 PolarHBondContact O-N 3.11Å; E919-L922 PolarHBondContact O-N 3.1Å; E919-K923 WeakPolarHBondContact O-CG 3.14Å; E919-K923 PolarHBondContact O-N 2.86Å; E919-R972 IonicContact OE1-CZ 2.78Å; E919-R972 IonicContact OE1-NE 3.25Å; E919-R972 PolarHBondContact OE1-NE 3.44Å; E919-R972 IonicContact OE1-NH2 3.22Å; E919-R972 PolarHBondContact OE1-NH2 3.5Å; E919-R972 VanDerWaalsContact OE1-NH2 3.13Å; E919-L975 HydrophobicContact CB-CD2 4.08Å; E919-V1035 HydrophobicContact CB-CG1 4.34Å; E919-V1035 HydrophobicContact CG-CG1 3.93Å; E919-Y1036 VanDerWaalsContact CB-OH 3.31Å; E919-Y1036 WeakPolarHBondContact CB-OH 3.32Å; E919-Y1036 HydrophobicContact CG-CE1 3.74Å; E919-Y1036 WeakPolarHBondContact CG-OH 3.33Å; E919-Y1036 PolarHBondContact OE2-OH 3.07Å |
| 920 | Q | 77.2 | Confident | 69.6 | Low | 69 Ų | 69 | 54.8 Ų | 54.8 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.4 | -75.6 | -179.6 | -20.7 | 0 | 0 | 111.9 | L916 N917 K923 Q924 V1035 | L916-Q920 WeakPolarHBondContact O-CG 3.25Å; L916-Q920 PolarHBondContact O-N 2.81Å; N917-Q920 PolarHBondContact O-N 3.33Å; Q920-K923 PolarHBondContact O-N 3.39Å; Q920-Q924 WeakPolarHBondContact O-CG 3.23Å; Q920-Q924 PolarHBondContact O-N 2.96Å; Q920-V1035 HydrophobicContact CG-CG2 4.01Å |
| 921 | N | 71 | Confident | 68.4 | Low | 69 Ų | 69 | 59.9 Ų | 59.9 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175 | -72.6 | -11.4 | 0 | 0 | 0 | 111.4 | N917 M918 E919 K923 Q924 I925 | N917-N921 WeakPolarHBondContact O-CB 3.45Å; N917-N921 PolarHBondContact O-N 3.2Å; N917-N921 PolarHBondContact O-ND2 3.31Å; M918-N921 PolarHBondContact O-N 3.26Å; E919-N921 VanDerWaalsContact C-N 3.35Å; E919-N921 PolarHBondContact O-N 3.11Å; N921-K923 PolarHBondContact O-N 3.19Å; N921-Q924 PolarHBondContact O-N 3.16Å; N921-I925 VanDerWaalsContact O-CG1 3.27Å; N921-I925 WeakPolarHBondContact O-CG1 3.5Å; N921-I925 PolarHBondContact O-N 3.13Å |
| 922 | L | 71.3 | Confident | 66.8 | Low | 63 Ų | 63 | 63 Ų | 63 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176 | -72.2 | 169.8 | 0 | 0 | 0 | 111.7 | M918 E919 Q924 I925 E926 | M918-L922 HydrophobicContact CG-CD1 4.41Å; M918-L922 WeakPolarHBondContact O-CG 3.49Å; M918-L922 PolarHBondContact O-N 3.11Å; E919-L922 PolarHBondContact O-N 3.1Å; L922-Q924 PolarHBondContact O-N 2.73Å; L922-I925 PolarHBondContact O-N 3.03Å; L922-E926 WeakPolarHBondContact O-CG 3.26Å; L922-E926 PolarHBondContact O-N 3.48Å |
| 923 | K | 71.1 | Confident | 65.1 | Low | 71 Ų | 71 | 69.6 Ų | 69.6 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 174.2 | -75.7 | -173.9 | 173 | -162.8 | 0 | 113 | E919 Q920 N921 E926 A927 R972 V1035 | E919-K923 WeakPolarHBondContact O-CG 3.14Å; E919-K923 PolarHBondContact O-N 2.86Å; Q920-K923 PolarHBondContact O-N 3.39Å; N921-K923 PolarHBondContact O-N 3.19Å; K923-E926 PolarHBondContact O-N 3.45Å; K923-A927 WeakPolarHBondContact O-CB 3.48Å; K923-A927 PolarHBondContact O-N 3.05Å; K923-R972 VanDerWaalsContact CG-NH2 3.31Å; K923-V1035 PolarHBondContact NZ-O 2.86Å |
| 924 | Q | 69.2 | Low | 63.4 | Low | 120 Ų | 120 | 72.6 Ų | 72.6 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.3 | -38.1 | 175.8 | -78.5 | -176.6 | -9.4 | 0 | 0 | 112.2 | Q920 N921 L922 A927 N928 | Q920-Q924 WeakPolarHBondContact O-CG 3.23Å; Q920-Q924 PolarHBondContact O-N 2.96Å; N921-Q924 PolarHBondContact O-N 3.16Å; L922-Q924 PolarHBondContact O-N 2.73Å; Q924-A927 PolarHBondContact O-N 3.25Å; Q924-N928 WeakPolarHBondContact O-CB 3.37Å; Q924-N928 VanDerWaalsContact O-CG 3.23Å; Q924-N928 PolarHBondContact O-N 2.87Å |
| 925 | I | 64 | Low | 61.4 | Low | 102 Ų | 102 | 77.8 Ų | 77.8 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 174.5 | -66.9 | 162.1 | 0 | 0 | 0 | 109.8 | N921 L922 A927 N928 T929 | N921-I925 VanDerWaalsContact O-CG1 3.27Å; N921-I925 WeakPolarHBondContact O-CG1 3.5Å; N921-I925 PolarHBondContact O-N 3.13Å; L922-I925 PolarHBondContact O-N 3.03Å; I925-A927 PolarHBondContact O-N 3.45Å; I925-N928 PolarHBondContact O-N 3.29Å; I925-T929 PolarHBondContact O-N 3.28Å; I925-T929 PolarHBondContact O-OG1 3.16Å |
| 926 | E | 61.2 | Low | 59.2 | Low | 84 Ų | 84 | 86.7 Ų | 86.7 | 39% | 0.393 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 175.6 | -74.2 | 174.5 | 164.6 | 0 | 0 | 112.5 | L922 K923 T929 N930 R972 | L922-E926 WeakPolarHBondContact O-CG 3.26Å; L922-E926 PolarHBondContact O-N 3.48Å; K923-E926 PolarHBondContact O-N 3.45Å; E926-T929 VanDerWaalsContact C-OG1 3.32Å; E926-T929 VanDerWaalsContact CA-OG1 3.26Å; E926-T929 WeakPolarHBondContact CA-OG1 3.48Å; E926-T929 PolarHBondContact O-N 3.31Å; E926-T929 PolarHBondContact O-OG1 2.95Å; E926-N930 WeakPolarHBondContact O-CB 3.36Å; E926-N930 VanDerWaalsContact O-CG 3.28Å; E926-N930 PolarHBondContact O-N 3.47Å; E926-N930 PolarHBondContact O-ND2 2.61Å; E926-R972 VanDerWaalsContact CD-NH1 3.27Å; E926-R972 IonicContact OE1-CZ 3.5Å; E926-R972 IonicContact OE1-NH1 3.97Å; E926-R972 PolarHBondContact OE1-NH1 3.34Å; E926-R972 IonicContact OE2-CZ 2.74Å; E926-R972 IonicContact OE2-NH1 3.49Å; E926-R972 PolarHBondContact OE2-NH1 3.19Å; E926-R972 IonicContact OE2-NH2 3.74Å; E926-R972 PolarHBondContact OE2-NH2 3.38Å |
| 927 | A | 59.6 | Low | 56.8 | Low | 49 Ų | 49 | 92 Ų | 92 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K923 Q924 I925 N930 Q931 | K923-A927 WeakPolarHBondContact O-CB 3.48Å; K923-A927 PolarHBondContact O-N 3.05Å; Q924-A927 PolarHBondContact O-N 3.25Å; I925-A927 PolarHBondContact O-N 3.45Å; A927-N930 PolarHBondContact O-N 2.84Å; A927-Q931 PolarHBondContact O-N 2.82Å |
| 928 | N | 57.9 | Low | 54.7 | Low | 105 Ų | 105 | 97.2 Ų | 97.2 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.2 | -37.2 | 177.2 | -70.4 | -7.4 | 0 | 0 | 0 | 112.1 | Q924 I925 N930 Q931 A932 | Q924-N928 WeakPolarHBondContact O-CB 3.37Å; Q924-N928 VanDerWaalsContact O-CG 3.23Å; Q924-N928 PolarHBondContact O-N 2.87Å; I925-N928 PolarHBondContact O-N 3.29Å; N928-N930 VanDerWaalsContact C-N 3.32Å; N928-Q931 PolarHBondContact O-N 3.29Å; N928-A932 WeakPolarHBondContact O-CB 3.23Å; N928-A932 PolarHBondContact O-N 3.46Å |
| 929 | T | 52.3 | Low | 52.6 | Low | 72 Ų | 72 | 101.3 Ų | 101.3 | 44% | 0.442 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -35.3 | 173.5 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | I925 E926 | I925-T929 PolarHBondContact O-N 3.28Å; I925-T929 PolarHBondContact O-OG1 3.16Å; E926-T929 VanDerWaalsContact C-OG1 3.32Å; E926-T929 VanDerWaalsContact CA-OG1 3.26Å; E926-T929 WeakPolarHBondContact CA-OG1 3.48Å; E926-T929 PolarHBondContact O-N 3.31Å; E926-T929 PolarHBondContact O-OG1 2.95Å |
| 930 | N | 48.9 | Very low | 50.2 | Low | 109 Ų | 109 | 108.7 Ų | 108.7 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.8 | -33.1 | 176 | -70.5 | -13.1 | 0 | 0 | 0 | 112.3 | E926 A927 N928 | E926-N930 WeakPolarHBondContact O-CB 3.36Å; E926-N930 VanDerWaalsContact O-CG 3.28Å; E926-N930 PolarHBondContact O-N 3.47Å; E926-N930 PolarHBondContact O-ND2 2.61Å; A927-N930 PolarHBondContact O-N 2.84Å; N928-N930 VanDerWaalsContact C-N 3.32Å |
| 931 | Q | 47.4 | Very low | 47.8 | Very low | 138 Ų | 138 | 110.3 Ų | 110.3 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.7 | -33.6 | 174.4 | -78.1 | -176.7 | -16.7 | 0 | 0 | 113.2 | A927 N928 N933 V934 | A927-Q931 PolarHBondContact O-N 2.82Å; N928-Q931 PolarHBondContact O-N 3.29Å; Q931-N933 PolarHBondContact O-N 3.27Å; Q931-V934 PolarHBondContact O-N 3.02Å |
| 932 | A | 45.6 | Very low | 45.7 | Very low | 70 Ų | 70 | 114.3 Ų | 114.3 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.2 | -21.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N928 | N928-A932 WeakPolarHBondContact O-CB 3.23Å; N928-A932 PolarHBondContact O-N 3.46Å |
| 933 | N | 43 | Very low | 43.3 | Very low | 139 Ų | 139 | 118 Ų | 118 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 0.1 | 179.4 | -73.2 | -11.9 | 0 | 0 | 0 | 114.6 | Q931 | Q931-N933 PolarHBondContact O-N 3.27Š|
| 934 | V | 37.6 | Very low | 41 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 70% | 0.697 | 67% | 0.674 | S | S | * | * | trans | -119 | 7.7 | -175.4 | -175 | 0 | 0 | 0 | 0 | 113.3 | Q931 E936 | Q931-V934 PolarHBondContact O-N 3.02Å; V934-E936 VanDerWaalsContact C-N 3.33Å; V934-E936 PolarHBondContact O-N 3.27Å; V934-E936 VanDerWaalsContact O-N 3.12Å | ||
| 935 | L | 31.7 | Very low | 38.8 | Very low | 151 Ų | 151 | 121.5 Ų | 121.5 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -87.2 | 65.6 | 173.5 | -88.9 | 146.8 | 0 | 0 | 0 | 112.2 | ||||
| 936 | E | 30.5 | Very low | 37 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -145.9 | 78.7 | 153.8 | -86.6 | -167 | 173.6 | 0 | 0 | 108.8 | V934 | V934-E936 VanDerWaalsContact C-N 3.33Å; V934-E936 PolarHBondContact O-N 3.27Å; V934-E936 VanDerWaalsContact O-N 3.12Å | ||
| 937 | S | 28.6 | Very low | 36.1 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | 175.7 | 101 | 144.7 | 58.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 938 | D | 29.5 | Very low | 34.3 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | trans | -63 | 134 | 164 | -70.3 | -41.3 | 0 | 0 | 0 | 110 | ||||
| 939 | T | 30 | Very low | 32.6 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | -178.6 | 133.5 | 116.2 | 37.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 940 | D | 27.3 | Very low | 31.2 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -45.4 | 160.8 | -175.7 | -65.2 | -51.7 | 0 | 0 | 0 | 120.5 | ||||
| 941 | S | 25.7 | Very low | 30 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 108 | 95 | 138.8 | 69.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 942 | D | 26.6 | Very low | 28.9 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 63.2 | 108.9 | 119.1 | -65.3 | -15.5 | 0 | 0 | 0 | 122.1 | |||||
| 943 | L | 21.9 | Very low | 27.9 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | 85.1 | 113.1 | 118 | -142.5 | 80.8 | 0 | 0 | 0 | 120.1 | |||||
| 944 | E | 22.9 | Very low | 27 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 64.8 | 125.8 | 139.9 | -75.6 | 173.8 | -176.8 | 0 | 0 | 122.3 | ||||
| 945 | S | 23.8 | Very low | 26.4 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 124.6 | 102.1 | 139.4 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 946 | L | 24.8 | Very low | 26.1 | Very low | 165 Ų | 165 | 143 Ų | 143 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | 90.1 | 160.4 | 99.1 | -89.3 | 160.5 | 0 | 0 | 0 | 112.6 | |||||
| 947 | P | 42.3 | Very low | 25.8 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | -119.3 | 175.9 | -120.2 | 42.6 | -30.6 | 0 | 0 | 0 | 114.3 | |||||
| 948 | G | 23.3 | Very low | 25.7 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 133.4 | 122 | 152 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 949 | D | 21.8 | Very low | 25.5 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | 61.6 | 104.4 | 157.5 | -62 | -16.8 | 0 | 0 | 0 | 120.5 | ||||
| 950 | L | 23.2 | Very low | 25.4 | Very low | 178 Ų | 178 | 142 Ų | 142 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -154.3 | 90.9 | 139.7 | -99.7 | 161.3 | 0 | 0 | 0 | 108.4 | ||||
| 951 | S | 22.6 | Very low | 25.3 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -70.5 | 149.8 | 157.1 | 46.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 952 | D | 23.8 | Very low | 25.3 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 80.8 | 79.5 | 170 | -56.6 | -19.7 | 0 | 0 | 0 | 117.6 | ||||
| 953 | I | 25.1 | Very low | 25.3 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | -129.5 | 121.4 | 141.7 | -60.4 | -178.2 | 0 | 0 | 0 | 109.2 | ||||
| 954 | H | 23.8 | Very low | 25.7 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -47 | 131.6 | 177 | -119.9 | -103.9 | 0 | 0 | 0 | 113.2 | D956 | H954-D956 IonicContact CE1-OD2 3.99Å; H954-D956 IonicContact ND1-OD2 2.67Å; H954-D956 PolarHBondContact ND1-OD2 3.45Å; H954-D956 PolarHBondContact O-N 3.36Å | ||
| 955 | M | 25.4 | Very low | 26.1 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -82.2 | 85.8 | 167.9 | -72.8 | -78.4 | -64 | 0 | 0 | 109.1 | ||||
| 956 | D | 25.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | -135.8 | 95.6 | 159.5 | -73.9 | -50.9 | 0 | 0 | 0 | 107.1 | H954 | H954-D956 IonicContact CE1-OD2 3.99Å; H954-D956 IonicContact ND1-OD2 2.67Å; H954-D956 PolarHBondContact ND1-OD2 3.45Å; H954-D956 PolarHBondContact O-N 3.36Å | ||
| 957 | Q | 25 | Very low | 27.4 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -139.1 | 112.8 | 159.3 | -115.7 | 172 | 3.7 | 0 | 0 | 108.8 | ||||
| 958 | E | 25.3 | Very low | 27.6 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -64.5 | 151.6 | -171.8 | -66.2 | 169.3 | 143.5 | 0 | 0 | 112.3 | A960 | E958-A960 PolarHBondContact O-N 2.83Å; E958-A960 VanDerWaalsContact O-N 3.11Å | ||
| 959 | A | 25.7 | Very low | 29 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -58.6 | 107.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 960 | A | 26.9 | Very low | 30.9 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -87.1 | 117.9 | 159 | 0 | 0 | 0 | 0 | 0 | 108.3 | E958 I962 | E958-A960 PolarHBondContact O-N 2.83Å; E958-A960 VanDerWaalsContact O-N 3.11Å; A960-I962 PolarHBondContact O-N 3.12Å | ||
| 961 | D | 25.3 | Very low | 33.3 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -47.7 | 117.3 | 174.8 | -71.9 | -47.1 | 0 | 0 | 0 | 112.3 | ||||
| 962 | I | 25.8 | Very low | 35.9 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | trans | -115 | 119.9 | 160.7 | -61.7 | 176.4 | 0 | 0 | 0 | 107 | A960 | A960-I962 PolarHBondContact O-N 3.12Š| ||
| 963 | S | 27.1 | Very low | 38.4 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -43.8 | 144.6 | -171.1 | 39.8 | 0 | 0 | 0 | 0 | 117 | V965 | S963-V965 PolarHBondContact O-N 2.97Š| ||
| 964 | L | 30.2 | Very low | 40.7 | Very low | 183 Ų | 183 | 122.9 Ų | 122.9 | 96% | 0.958 | 68% | 0.676 | S | S | * | * | trans | -43.5 | 104.8 | 169.8 | -90.5 | 92.4 | 0 | 0 | 0 | 112.1 | ||||
| 965 | V | 31.2 | Very low | 43.3 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 75% | 0.745 | 64% | 0.64 | S | S | * | * | trans | -113.1 | 109.6 | 160.5 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | S963 E967 | S963-V965 PolarHBondContact O-N 2.97Å; V965-E967 PolarHBondContact O-N 3.27Å | ||
| 966 | N | 36.3 | Very low | 46 | Very low | 131 Ų | 131 | 111.2 Ų | 111.2 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | trans | -13.2 | 102.1 | 176.9 | -75.6 | -22.4 | 0 | 0 | 0 | 116.3 | D968 S969 | N966-D968 PolarHBondContact O-N 2.96Å; N966-D968 VanDerWaalsContact O-N 3.1Å; N966-S969 PolarHBondContact O-N 3.4Å; N966-S969 PolarHBondContact O-OG 3.46Å; N966-S969 VanDerWaalsContact O-OG 3.08Å | ||
| 967 | E | 41 | Very low | 48.6 | Very low | 187 Ų | 187 | 109.3 Ų | 109.3 | 87% | 0.874 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -56.6 | -23 | 173.5 | -73.7 | -163.8 | 144.3 | 0 | 0 | 113.4 | V965 S969 | V965-E967 PolarHBondContact O-N 3.27Å; E967-S969 PolarHBondContact O-N 2.96Å; E967-S969 VanDerWaalsContact O-N 3.13Å |
| 968 | D | 45.4 | Very low | 51.3 | Low | 139 Ų | 139 | 99.8 Ų | 99.8 | 74% | 0.743 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -71.2 | -4.7 | -176.9 | -77.4 | -27.5 | 0 | 0 | 0 | 115 | R837 N966 | R837-D968 PolarHBondContact NH1-O 2.85Å; R837-D968 PolarHBondContact NH2-O 2.91Å; N966-D968 PolarHBondContact O-N 2.96Å; N966-D968 VanDerWaalsContact O-N 3.1Å |
| 969 | S | 53.4 | Low | 54.1 | Low | 76 Ų | 76 | 90.8 Ų | 90.8 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -87.9 | -20.7 | -179.9 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | R837 N966 E967 | R837-S969 PolarHBondContact NH2-O 3.35Å; N966-S969 PolarHBondContact O-N 3.4Å; N966-S969 PolarHBondContact O-OG 3.46Å; N966-S969 VanDerWaalsContact O-OG 3.08Å; E967-S969 PolarHBondContact O-N 2.96Å; E967-S969 VanDerWaalsContact O-N 3.13Å |
| 970 | C | 62 | Low | 56.8 | Low | 72 Ų | 72 | 89.6 Ų | 89.6 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | trans | -82.9 | 123 | -167.5 | -167.6 | 0 | 0 | 0 | 0 | 113.9 | P973 | C970-P973 WeakPolarHBondContact O-CD 3.4Š| ||
| 971 | I | 73.1 | Confident | 59.5 | Low | 28 Ų | 28 | 87.5 Ų | 87.5 | 14% | 0.144 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -79 | -21.5 | 177.9 | -43.8 | 175 | 0 | 0 | 0 | 112 | V833 L840 P973 L974 L975 | V833-I971 HydrophobicContact CB-CD1 4.13Å; V833-I971 HydrophobicContact CG1-CD1 3.59Å; V833-I971 HydrophobicContact CG1-CG1 3.9Å; V833-I971 HydrophobicContact CG2-CD1 4.09Å; L840-I971 HydrophobicContact CD1-CG2 3.63Å; I971-P973 VanDerWaalsContact C-CD 3.48Å; I971-L974 WeakPolarHBondContact O-CB 3.48Å; I971-L974 PolarHBondContact O-N 3.5Å; I971-L975 HydrophobicContact CB-CD1 4.49Å; I971-L975 HydrophobicContact CG2-CD1 3.81Å; I971-L975 PolarHBondContact O-N 3.49Å |
| 972 | R | 76.1 | Confident | 62.2 | Low | 49 Ų | 49 | 79.7 Ų | 79.7 | 19% | 0.185 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.8 | -41.4 | -171.6 | -150 | 174.2 | -161.3 | 156.9 | 11.1 | 114.6 | E919 K923 E926 L974 L975 R976 | E919-R972 IonicContact OE1-CZ 2.78Å; E919-R972 IonicContact OE1-NE 3.25Å; E919-R972 PolarHBondContact OE1-NE 3.44Å; E919-R972 IonicContact OE1-NH2 3.22Å; E919-R972 PolarHBondContact OE1-NH2 3.5Å; E919-R972 VanDerWaalsContact OE1-NH2 3.13Å; K923-R972 VanDerWaalsContact CG-NH2 3.31Å; E926-R972 VanDerWaalsContact CD-NH1 3.27Å; E926-R972 IonicContact OE1-CZ 3.5Å; E926-R972 IonicContact OE1-NH1 3.97Å; E926-R972 PolarHBondContact OE1-NH1 3.34Å; E926-R972 IonicContact OE2-CZ 2.74Å; E926-R972 IonicContact OE2-NH1 3.49Å; E926-R972 PolarHBondContact OE2-NH1 3.19Å; E926-R972 IonicContact OE2-NH2 3.74Å; E926-R972 PolarHBondContact OE2-NH2 3.38Å; R972-L974 VanDerWaalsContact C-N 3.3Å; R972-L974 PolarHBondContact O-N 3.49Å; R972-L975 WeakPolarHBondContact O-CB 3.47Å; R972-L975 PolarHBondContact O-N 3.42Å; R972-R976 WeakPolarHBondContact O-CB 3.36Å; R972-R976 WeakPolarHBondContact O-CG 3.46Å; R972-R976 PolarHBondContact O-N 2.74Å |
| 973 | P | 76.3 | Confident | 64.9 | Low | 83 Ų | 83 | 72 Ų | 72 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.6 | -21 | 32.8 | 0 | 0 | 0 | 112.4 | C970 I971 R976 Q977 | C970-P973 WeakPolarHBondContact O-CD 3.4Å; I971-P973 VanDerWaalsContact C-CD 3.48Å; P973-R976 PolarHBondContact O-N 2.96Å; P973-Q977 WeakPolarHBondContact O-CB 3.19Å; P973-Q977 PolarHBondContact O-N 3.18Å |
| 974 | L | 74.8 | Confident | 67.6 | Low | 28 Ų | 28 | 69.4 Ų | 69.4 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 179.6 | -152.6 | 83.6 | 0 | 0 | 0 | 111.1 | R837 L840 R841 I971 R972 Q977 C978 | R837-L974 HydrophobicContact CG-CD2 4.18Å; L840-L974 HydrophobicContact CB-CD2 3.32Å; L840-L974 HydrophobicContact CB-CG 4.14Å; L840-L974 HydrophobicContact CD1-CD2 4.12Å; L840-L974 HydrophobicContact CG-CD2 4.38Å; R841-L974 HydrophobicContact CG-CD1 4.07Å; R841-L974 HydrophobicContact CG-CD2 4.03Å; I971-L974 WeakPolarHBondContact O-CB 3.48Å; I971-L974 PolarHBondContact O-N 3.5Å; R972-L974 VanDerWaalsContact C-N 3.3Å; R972-L974 PolarHBondContact O-N 3.49Å; L974-Q977 PolarHBondContact O-N 3.25Å; L974-C978 WeakPolarHBondContact O-CB 3.44Å; L974-C978 PolarHBondContact O-N 2.74Å; L974-C978 PolarHBondContact O-SG 3.26Å |
| 975 | L | 78.4 | Confident | 70 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.7 | -51.7 | 172.3 | -119.2 | 113.1 | 0 | 0 | 0 | 110.6 | L840 I915 M918 E919 I971 R972 Q977 C978 I979 | L840-L975 HydrophobicContact CD1-CD1 4.19Å; I915-L975 HydrophobicContact CG2-CD2 3.38Å; I915-L975 HydrophobicContact CG2-CG 3.78Å; M918-L975 HydrophobicContact CB-CD2 4.49Å; M918-L975 HydrophobicContact CG-CD1 4.36Å; M918-L975 HydrophobicContact SD-CD1 3.83Å; E919-L975 HydrophobicContact CB-CD2 4.08Å; I971-L975 HydrophobicContact CB-CD1 4.49Å; I971-L975 HydrophobicContact CG2-CD1 3.81Å; I971-L975 PolarHBondContact O-N 3.49Å; R972-L975 WeakPolarHBondContact O-CB 3.47Å; R972-L975 PolarHBondContact O-N 3.42Å; L975-Q977 PolarHBondContact O-N 2.9Å; L975-C978 PolarHBondContact O-N 3.17Å; L975-I979 WeakPolarHBondContact O-CG1 3.29Å; L975-I979 PolarHBondContact O-N 3.45Å |
| 976 | R | 81.3 | Confident | 72.4 | Confident | 101 Ų | 101 | 55 Ų | 55 | 38% | 0.381 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.7 | -53.7 | 175.6 | -76.8 | -174.3 | -172.9 | -170.9 | 2.4 | 110.4 | R972 P973 C978 I979 Y980 Y1036 W1039 | R972-R976 WeakPolarHBondContact O-CB 3.36Å; R972-R976 WeakPolarHBondContact O-CG 3.46Å; R972-R976 PolarHBondContact O-N 2.74Å; P973-R976 PolarHBondContact O-N 2.96Å; R976-C978 VanDerWaalsContact C-N 3.29Å; R976-C978 PolarHBondContact O-N 2.93Å; R976-I979 PolarHBondContact O-N 3.46Å; R976-I979 VanDerWaalsContact O-N 3.16Å; R976-Y980 PolarHBondContact O-N 3.46Å; R976-Y1036 HydrophobicContact CG-CE1 4.24Å; R976-W1039 VanDerWaalsContact C-CH2 3.45Å; R976-W1039 HydrophobicContact CB-CE3 4.29Å; R976-W1039 HydrophobicContact CB-CH2 3.38Å; R976-W1039 HydrophobicContact CB-CZ2 4.24Å; R976-W1039 HydrophobicContact CB-CZ3 3.38Å; R976-W1039 HydrophobicContact CG-CE3 3.98Å; R976-W1039 HydrophobicContact CG-CH2 4.01Å; R976-W1039 HydrophobicContact CG-CZ3 3.49Å; R976-W1039 VanDerWaalsContact CG-CZ3 3.49Å; R976-W1039 WeakPolarHBondContact O-CH2 3.24Å |
| 977 | Q | 81.1 | Confident | 74.6 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.3 | -41.6 | 179.5 | -166.4 | -174.5 | 20.5 | 0 | 0 | 112.7 | P973 L974 L975 Y980 K981 | P973-Q977 WeakPolarHBondContact O-CB 3.19Å; P973-Q977 PolarHBondContact O-N 3.18Å; L974-Q977 PolarHBondContact O-N 3.25Å; L975-Q977 PolarHBondContact O-N 2.9Å; Q977-Y980 PolarHBondContact O-N 3.22Å; Q977-K981 HydrophobicContact CG-CD 4.48Å; Q977-K981 WeakPolarHBondContact O-CB 3.35Å; Q977-K981 WeakPolarHBondContact O-CG 3.45Å; Q977-K981 PolarHBondContact O-N 3.47Å |
| 978 | C | 81.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 178 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | L840 I915 L974 L975 R976 K981 L982 | L840-C978 HydrophobicContact CD2-CB 4.45Å; L840-C978 PolarHBondContact O-SG 3.47Å; L840-C978 VanDerWaalsContact O-SG 3.39Å; I915-C978 HydrophobicContact CD1-CB 4.19Å; L974-C978 WeakPolarHBondContact O-CB 3.44Å; L974-C978 PolarHBondContact O-N 2.74Å; L974-C978 PolarHBondContact O-SG 3.26Å; L975-C978 PolarHBondContact O-N 3.17Å; R976-C978 VanDerWaalsContact C-N 3.29Å; R976-C978 PolarHBondContact O-N 2.93Å; C978-K981 PolarHBondContact O-N 3.29Å; C978-L982 VanDerWaalsContact O-CB 3.3Å; C978-L982 WeakPolarHBondContact O-CB 3.48Å; C978-L982 WeakPolarHBondContact O-CG 3.34Å; C978-L982 PolarHBondContact O-N 2.87Å |
| 979 | I | 82.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 176.1 | -65.1 | 175.7 | 0 | 0 | 0 | 110.7 | L912 I915 L916 L975 R976 K981 L982 L983 Y1036 L1042 | L912-I979 HydrophobicContact CD1-CG2 4.05Å; I915-I979 HydrophobicContact CB-CG1 4.31Å; I915-I979 HydrophobicContact CG2-CD1 3.65Å; I915-I979 HydrophobicContact CG2-CG1 3.45Å; I915-I979 VanDerWaalsContact CG2-CG1 3.45Å; L916-I979 HydrophobicContact CD2-CD1 4.3Å; L975-I979 WeakPolarHBondContact O-CG1 3.29Å; L975-I979 PolarHBondContact O-N 3.45Å; R976-I979 PolarHBondContact O-N 3.46Å; R976-I979 VanDerWaalsContact O-N 3.16Å; I979-K981 PolarHBondContact O-N 3.37Å; I979-L982 WeakPolarHBondContact O-CB 3.34Å; I979-L982 PolarHBondContact O-N 2.83Å; I979-L983 HydrophobicContact CG2-CD1 3.85Å; I979-L983 WeakPolarHBondContact O-CB 3.41Å; I979-L983 WeakPolarHBondContact O-CG 3.39Å; I979-L983 PolarHBondContact O-N 3.01Å; I979-Y1036 HydrophobicContact CD1-CE2 3.42Å; I979-Y1036 VanDerWaalsContact CD1-CE2 3.42Å; I979-Y1036 WeakPolarHBondContact CD1-OH 3.49Å; I979-L1042 HydrophobicContact CG2-CD1 3.71Å |
| 980 | Y | 83.7 | Confident | 78.9 | Confident | 79 Ų | 79 | 32.5 Ų | 32.5 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 179.4 | -172.8 | -109 | 0 | 0 | 0 | 111.4 | R976 Q977 L983 I984 Q1045 | R976-Y980 PolarHBondContact O-N 3.46Å; Q977-Y980 PolarHBondContact O-N 3.22Å; Y980-L983 PolarHBondContact O-N 2.84Å; Y980-I984 HydrophobicContact CD1-CD1 3.62Å; Y980-I984 HydrophobicContact CE1-CD1 3.34Å; Y980-I984 HydrophobicContact CE1-CG1 4.36Å; Y980-I984 HydrophobicContact CG-CD1 4.38Å; Y980-I984 VanDerWaalsContact O-CG1 3.31Å; Y980-I984 WeakPolarHBondContact O-CG1 3.47Å; Y980-I984 PolarHBondContact O-N 3.35Å; Y980-Q1045 HydrophobicContact CD2-CB 4.32Å; Y980-Q1045 HydrophobicContact CE2-CB 3.85Å; Y980-Q1045 HydrophobicContact CE2-CG 4.21Å |
| 981 | K | 83.5 | Confident | 79.4 | Confident | 45 Ų | 45 | 30.3 Ų | 30.3 | 20% | 0.196 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 174.8 | -74.2 | -176.5 | 175.1 | -171.4 | 0 | 113.1 | S844 L847 Q977 C978 I979 I984 C985 | S844-K981 PolarHBondContact O-NZ 3.04Å; S844-K981 VanDerWaalsContact O-NZ 3.13Å; S844-K981 WeakPolarHBondContact OG-CD 3.5Å; S844-K981 WeakPolarHBondContact OG-CE 3.08Å; S844-K981 PolarHBondContact OG-NZ 3.27Å; L847-K981 HydrophobicContact CB-CB 4.19Å; L847-K981 HydrophobicContact CD1-CB 4.18Å; Q977-K981 HydrophobicContact CG-CD 4.48Å; Q977-K981 WeakPolarHBondContact O-CB 3.35Å; Q977-K981 WeakPolarHBondContact O-CG 3.45Å; Q977-K981 PolarHBondContact O-N 3.47Å; C978-K981 PolarHBondContact O-N 3.29Å; I979-K981 PolarHBondContact O-N 3.37Å; K981-I984 PolarHBondContact O-N 3.27Å; K981-C985 PolarHBondContact O-N 3.32Å; K981-C985 PolarHBondContact O-SG 3Å |
| 982 | L | 81.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 173.4 | -91.7 | 159.9 | 0 | 0 | 0 | 111.2 | L847 L908 H911 I915 C978 I979 I984 C985 I986 | L847-L982 HydrophobicContact CD1-CD1 4.43Å; L847-L982 HydrophobicContact CD1-CD2 4.26Å; L847-L982 HydrophobicContact CD1-CG 3.68Å; L847-L982 HydrophobicContact CD2-CD2 3.62Å; L847-L982 HydrophobicContact CD2-CG 3.93Å; L847-L982 HydrophobicContact CG-CG 4.47Å; L908-L982 HydrophobicContact CB-CD2 4.15Å; L908-L982 HydrophobicContact CD2-CD2 3.71Å; H911-L982 HydrophobicContact CB-CD1 4.35Å; H911-L982 HydrophobicContact CB-CD2 4.43Å; I915-L982 HydrophobicContact CD1-CD1 3.49Å; I915-L982 VanDerWaalsContact CD1-CD1 3.49Å; C978-L982 VanDerWaalsContact O-CB 3.3Å; C978-L982 WeakPolarHBondContact O-CB 3.48Å; C978-L982 WeakPolarHBondContact O-CG 3.34Å; C978-L982 PolarHBondContact O-N 2.87Å; I979-L982 WeakPolarHBondContact O-CB 3.34Å; I979-L982 PolarHBondContact O-N 2.83Å; L982-I984 VanDerWaalsContact C-N 3.34Å; L982-I984 PolarHBondContact O-N 3Å; L982-C985 WeakPolarHBondContact O-CB 3.46Å; L982-C985 PolarHBondContact O-N 3.09Å; L982-I986 WeakPolarHBondContact O-CB 2.93Å; L982-I986 VanDerWaalsContact O-CG1 3.27Å; L982-I986 WeakPolarHBondContact O-CG1 3.36Å; L982-I986 PolarHBondContact O-N 3.14Å |
| 983 | L | 82.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 175.8 | -78.3 | 161 | 0 | 0 | 0 | 111 | I979 Y980 I986 T987 I1029 L1042 Q1045 V1046 | I979-L983 HydrophobicContact CG2-CD1 3.85Å; I979-L983 WeakPolarHBondContact O-CB 3.41Å; I979-L983 WeakPolarHBondContact O-CG 3.39Å; I979-L983 PolarHBondContact O-N 3.01Å; Y980-L983 PolarHBondContact O-N 2.84Å; L983-I986 PolarHBondContact O-N 3.29Å; L983-T987 WeakPolarHBondContact O-CG2 3.37Å; L983-T987 PolarHBondContact O-N 3.38Å; L983-T987 PolarHBondContact O-OG1 2.69Å; L983-I1029 HydrophobicContact CD2-CG1 4.43Å; L983-I1029 HydrophobicContact CD2-CG2 4.21Å; L983-L1042 HydrophobicContact CD1-CD1 4.22Å; L983-L1042 HydrophobicContact CD1-CG 4.03Å; L983-Q1045 HydrophobicContact CB-CG 3.84Å; L983-V1046 HydrophobicContact CD1-CG2 3.75Å; L983-V1046 HydrophobicContact CD2-CG2 3.9Å |
| 984 | I | 84.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 25.3 Ų | 25.3 | 23% | 0.226 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.7 | -51.6 | 173.9 | -67.9 | 165.4 | 0 | 0 | 0 | 111 | T851 Y980 K981 L982 I986 T987 T988 Q1045 | T851-I984 HydrophobicContact CG2-CG2 3.67Å; Y980-I984 HydrophobicContact CD1-CD1 3.62Å; Y980-I984 HydrophobicContact CE1-CD1 3.34Å; Y980-I984 HydrophobicContact CE1-CG1 4.36Å; Y980-I984 HydrophobicContact CG-CD1 4.38Å; Y980-I984 VanDerWaalsContact O-CG1 3.31Å; Y980-I984 WeakPolarHBondContact O-CG1 3.47Å; Y980-I984 PolarHBondContact O-N 3.35Å; K981-I984 PolarHBondContact O-N 3.27Å; L982-I984 VanDerWaalsContact C-N 3.34Å; L982-I984 PolarHBondContact O-N 3Å; I984-I986 VanDerWaalsContact C-N 3.35Å; I984-I986 PolarHBondContact O-N 3.18Å; I984-T987 WeakPolarHBondContact CA-OG1 3.46Å; I984-T987 PolarHBondContact O-N 2.93Å; I984-T987 VanDerWaalsContact O-N 3.14Å; I984-T987 PolarHBondContact O-OG1 3.21Å; I984-T988 HydrophobicContact CG2-CG2 4.3Å; I984-T988 WeakPolarHBondContact O-CG2 3.49Å; I984-T988 PolarHBondContact O-N 3.15Å; I984-T988 PolarHBondContact O-OG1 3.16Å; I984-Q1045 HydrophobicContact CG1-CG 4.08Å |
| 985 | C | 80.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -51.4 | -53.5 | 175.5 | -79.4 | 0 | 0 | 0 | 0 | 111.4 | L847 L850 T851 K981 L982 T987 T988 I989 | L847-C985 HydrophobicContact CD2-CB 4.26Å; L847-C985 PolarHBondContact O-SG 3.35Å; L850-C985 HydrophobicContact CD2-CB 4.48Å; T851-C985 PolarHBondContact OG1-SG 2.75Å; K981-C985 PolarHBondContact O-N 3.32Å; K981-C985 PolarHBondContact O-SG 3Å; L982-C985 WeakPolarHBondContact O-CB 3.46Å; L982-C985 PolarHBondContact O-N 3.09Å; C985-T987 VanDerWaalsContact C-N 3.32Å; C985-T987 PolarHBondContact O-N 3.21Å; C985-T988 WeakPolarHBondContact CA-OG1 3.43Å; C985-T988 PolarHBondContact O-N 3.5Å; C985-T988 VanDerWaalsContact O-N 3.12Å; C985-T988 PolarHBondContact O-OG1 3.17Å; C985-I989 VanDerWaalsContact O-CG1 3.29Å; C985-I989 WeakPolarHBondContact O-CG1 3.47Å; C985-I989 PolarHBondContact O-N 2.99Å |
| 986 | I | 81.5 | Confident | 76.8 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | -179.9 | -68.2 | 168.3 | 0 | 0 | 0 | 110.8 | L908 L982 L983 I984 T988 I989 F990 I1029 | L908-I986 HydrophobicContact CB-CD1 4.47Å; L908-I986 HydrophobicContact CB-CG1 4.32Å; L908-I986 HydrophobicContact CD1-CG1 4.36Å; L982-I986 WeakPolarHBondContact O-CB 2.93Å; L982-I986 VanDerWaalsContact O-CG1 3.27Å; L982-I986 WeakPolarHBondContact O-CG1 3.36Å; L982-I986 PolarHBondContact O-N 3.14Å; L983-I986 PolarHBondContact O-N 3.29Å; I984-I986 VanDerWaalsContact C-N 3.35Å; I984-I986 PolarHBondContact O-N 3.18Å; I986-T988 PolarHBondContact O-N 3.17Å; I986-I989 PolarHBondContact O-N 2.66Å; I986-F990 HydrophobicContact CG2-CD2 3.66Å; I986-F990 HydrophobicContact CG2-CE2 3.16Å; I986-F990 HydrophobicContact CG2-CZ 3.75Å; I986-F990 WeakPolarHBondContact O-CD2 3.21Å; I986-F990 WeakPolarHBondContact O-CG 3.48Å; I986-F990 PolarHBondContact O-N 3.25Å; I986-I1029 HydrophobicContact CG2-CD1 4.29Å |
| 987 | T | 81.7 | Confident | 75.4 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.08 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.2 | 63 | 0 | 0 | 0 | 0 | 112.7 | L983 I984 C985 F990 A991 Q1045 C1049 | L983-T987 WeakPolarHBondContact O-CG2 3.37Å; L983-T987 PolarHBondContact O-N 3.38Å; L983-T987 PolarHBondContact O-OG1 2.69Å; I984-T987 WeakPolarHBondContact CA-OG1 3.46Å; I984-T987 PolarHBondContact O-N 2.93Å; I984-T987 VanDerWaalsContact O-N 3.14Å; I984-T987 PolarHBondContact O-OG1 3.21Å; C985-T987 VanDerWaalsContact C-N 3.32Å; C985-T987 PolarHBondContact O-N 3.21Å; T987-F990 PolarHBondContact O-N 3.3Å; T987-A991 VanDerWaalsContact O-CB 3.24Å; T987-A991 WeakPolarHBondContact O-CB 3.44Å; T987-A991 PolarHBondContact O-N 3.47Å; T987-Q1045 VanDerWaalsContact CG2-NE2 3.33Å; T987-Q1045 PolarHBondContact OG1-NE2 2.89Å; T987-C1049 HydrophobicContact CG2-CB 3.36Å |
| 988 | T | 77.4 | Confident | 73.1 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 22% | 0.221 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 178 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | T851 I984 C985 I986 A991 E992 | T851-T988 HydrophobicContact CG2-CG2 3.84Å; I984-T988 HydrophobicContact CG2-CG2 4.3Å; I984-T988 WeakPolarHBondContact O-CG2 3.49Å; I984-T988 PolarHBondContact O-N 3.15Å; I984-T988 PolarHBondContact O-OG1 3.16Å; C985-T988 WeakPolarHBondContact CA-OG1 3.43Å; C985-T988 PolarHBondContact O-N 3.5Å; C985-T988 VanDerWaalsContact O-N 3.12Å; C985-T988 PolarHBondContact O-OG1 3.17Å; I986-T988 PolarHBondContact O-N 3.17Å; T988-A991 PolarHBondContact O-N 3.02Å; T988-E992 WeakPolarHBondContact O-CB 3.41Å; T988-E992 PolarHBondContact O-N 3.35Å |
| 989 | I | 76 | Confident | 71.1 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 174 | -66.5 | 168.1 | 0 | 0 | 0 | 110.1 | L850 V854 M901 I905 L908 C985 I986 G993 | L850-I989 HydrophobicContact CD2-CD1 4.36Å; V854-I989 HydrophobicContact CG1-CG1 4.21Å; V854-I989 HydrophobicContact CG2-CG1 4.2Å; M901-I989 HydrophobicContact CE-CB 4.46Å; M901-I989 HydrophobicContact CE-CG1 4.07Å; M901-I989 HydrophobicContact CE-CG2 4.08Å; I905-I989 HydrophobicContact CD1-CG2 4.44Å; I905-I989 HydrophobicContact CG1-CG2 4.2Å; L908-I989 HydrophobicContact CD1-CD1 3.47Å; L908-I989 VanDerWaalsContact CD1-CD1 3.47Å; C985-I989 VanDerWaalsContact O-CG1 3.29Å; C985-I989 WeakPolarHBondContact O-CG1 3.47Å; C985-I989 PolarHBondContact O-N 2.99Å; I986-I989 PolarHBondContact O-N 2.66Å; I989-G993 PolarHBondContact O-N 3.1Å |
| 990 | F | 76.7 | Confident | 68.6 | Low | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 175.9 | -67.3 | -34.9 | 0 | 0 | 0 | 112.7 | I905 I986 T987 G993 N994 E1052 L1053 | I905-F990 HydrophobicContact CD1-CE1 3.92Å; I986-F990 HydrophobicContact CG2-CD2 3.66Å; I986-F990 HydrophobicContact CG2-CE2 3.16Å; I986-F990 HydrophobicContact CG2-CZ 3.75Å; I986-F990 WeakPolarHBondContact O-CD2 3.21Å; I986-F990 WeakPolarHBondContact O-CG 3.48Å; I986-F990 PolarHBondContact O-N 3.25Å; T987-F990 PolarHBondContact O-N 3.3Å; F990-G993 PolarHBondContact O-N 2.97Å; F990-N994 WeakPolarHBondContact O-CB 3.49Å; F990-N994 PolarHBondContact O-N 2.73Å; F990-N994 PolarHBondContact O-ND2 2.9Å; F990-E1052 HydrophobicContact CB-CB 3.77Å; F990-L1053 HydrophobicContact CD1-CD1 4.4Å; F990-L1053 HydrophobicContact CD2-CB 4.34Å; F990-L1053 HydrophobicContact CD2-CD1 4.14Å; F990-L1053 HydrophobicContact CE1-CD1 3.83Å; F990-L1053 HydrophobicContact CE2-CB 4.35Å; F990-L1053 HydrophobicContact CE2-CD1 3.51Å; F990-L1053 HydrophobicContact CZ-CD1 3.36Å |
| 991 | A | 74.1 | Confident | 65.9 | Low | 26 Ų | 26 | 61.8 Ų | 61.8 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T987 T988 N994 R995 E1052 | T987-A991 VanDerWaalsContact O-CB 3.24Å; T987-A991 WeakPolarHBondContact O-CB 3.44Å; T987-A991 PolarHBondContact O-N 3.47Å; T988-A991 PolarHBondContact O-N 3.02Å; A991-N994 WeakPolarHBondContact O-CB 3.42Å; A991-N994 PolarHBondContact O-N 3.19Å; A991-R995 WeakPolarHBondContact O-CG 3.48Å; A991-R995 PolarHBondContact O-N 2.61Å; A991-E1052 HydrophobicContact CB-CG 4.19Å |
| 992 | E | 69.3 | Low | 63.3 | Low | 23 Ų | 23 | 68.7 Ų | 68.7 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 173.4 | -73.8 | -55.4 | 149.9 | 0 | 0 | 111.9 | V854 T988 N994 R995 V996 | V854-E992 HydrophobicContact CG1-CB 4.01Å; V854-E992 HydrophobicContact CG1-CG 3.66Å; T988-E992 WeakPolarHBondContact O-CB 3.41Å; T988-E992 PolarHBondContact O-N 3.35Å; E992-N994 VanDerWaalsContact C-N 3.26Å; E992-N994 PolarHBondContact O-N 2.82Å; E992-R995 WeakPolarHBondContact O-CB 3.46Å; E992-R995 PolarHBondContact O-N 3.28Å; E992-R995 VanDerWaalsContact O-N 3.13Å; E992-R995 IonicContact OE1-CZ 2.8Å; E992-R995 IonicContact OE1-NE 3.88Å; E992-R995 IonicContact OE1-NH1 3.63Å; E992-R995 PolarHBondContact OE1-NH1 3.22Å; E992-R995 VanDerWaalsContact OE2-CD 3.31Å; E992-R995 WeakPolarHBondContact OE2-CD 3.36Å; E992-R995 IonicContact OE2-NH1 3.25Å; E992-V996 PolarHBondContact O-N 3.16Å |
| 993 | G | 66.2 | Low | 60.8 | Low | 19 Ų | 19 | 80.1 Ų | 80.1 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I989 F990 K997 | I989-G993 PolarHBondContact O-N 3.1Å; F990-G993 PolarHBondContact O-N 2.97Å; G993-K997 PolarHBondContact O-N 2.86Å |
| 994 | N | 67 | Low | 58.2 | Low | 13 Ų | 13 | 85.3 Ų | 85.3 | 7% | 0.07 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 175.3 | -78.6 | -30.9 | 0 | 0 | 0 | 113.7 | F990 A991 E992 E1052 V1055 M1056 | F990-N994 WeakPolarHBondContact O-CB 3.49Å; F990-N994 PolarHBondContact O-N 2.73Å; F990-N994 PolarHBondContact O-ND2 2.9Å; A991-N994 WeakPolarHBondContact O-CB 3.42Å; A991-N994 PolarHBondContact O-N 3.19Å; E992-N994 VanDerWaalsContact C-N 3.26Å; E992-N994 PolarHBondContact O-N 2.82Å; N994-E1052 PolarHBondContact ND2-O 3.46Å; N994-E1052 PolarHBondContact ND2-OE2 2.76Å; N994-V1055 HydrophobicContact CB-CG1 4.48Å; N994-V1055 VanDerWaalsContact OD1-CB 3.3Å; N994-V1055 WeakPolarHBondContact OD1-CB 3.17Å; N994-V1055 WeakPolarHBondContact OD1-CG1 3.44Å; N994-M1056 WeakPolarHBondContact OD1-CG 3.35Å; N994-M1056 PolarHBondContact OD1-SD 3.15Å |
| 995 | R | 63.6 | Low | 55.4 | Low | 171 Ų | 171 | 94 Ų | 94 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 176 | -77.7 | 174.7 | 174.8 | -179.6 | -0.6 | 111.2 | A991 E992 K997 R998 | A991-R995 WeakPolarHBondContact O-CG 3.48Å; A991-R995 PolarHBondContact O-N 2.61Å; E992-R995 WeakPolarHBondContact O-CB 3.46Å; E992-R995 PolarHBondContact O-N 3.28Å; E992-R995 VanDerWaalsContact O-N 3.13Å; E992-R995 IonicContact OE1-CZ 2.8Å; E992-R995 IonicContact OE1-NE 3.88Å; E992-R995 IonicContact OE1-NH1 3.63Å; E992-R995 PolarHBondContact OE1-NH1 3.22Å; E992-R995 VanDerWaalsContact OE2-CD 3.31Å; E992-R995 WeakPolarHBondContact OE2-CD 3.36Å; E992-R995 IonicContact OE2-NH1 3.25Å; R995-K997 PolarHBondContact O-N 3.24Å; R995-R998 PolarHBondContact O-N 2.79Å |
| 996 | V | 57.3 | Low | 52.9 | Low | 71 Ų | 71 | 106.1 Ų | 106.1 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.6 | -31.7 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 113.5 | Q858 E992 R998 P999 | Q858-V996 VanDerWaalsContact CD-CG2 3.48Å; Q858-V996 VanDerWaalsContact NE2-CG2 3.27Å; E992-V996 PolarHBondContact O-N 3.16Å; V996-R998 PolarHBondContact O-N 3.04Å; V996-P999 VanDerWaalsContact O-CD 3.28Å; V996-P999 WeakPolarHBondContact O-CD 3.5Å |
| 997 | K | 52.3 | Low | 50.3 | Low | 113 Ų | 113 | 114.7 Ų | 114.7 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7.6 | 175.4 | -92.1 | -173.9 | -178.8 | 169.2 | 0 | 114 | G993 R995 M1056 | G993-K997 PolarHBondContact O-N 2.86Å; R995-K997 PolarHBondContact O-N 3.24Å; K997-M1056 HydrophobicContact CD-SD 3.72Å; K997-M1056 HydrophobicContact CG-SD 4.46Å; K997-M1056 PolarHBondContact NZ-O 3.37Å |
| 998 | R | 33.2 | Very low | 47.7 | Very low | 211 Ų | 211 | 119.4 Ų | 119.4 | 80% | 0.796 | 54% | 0.54 | S | S | * | . | trans | -103 | 79.4 | 177.5 | -65.4 | -172.1 | 179.7 | -172.5 | 2.2 | 111.9 | R995 V996 | R995-R998 PolarHBondContact O-N 2.79Å; V996-R998 PolarHBondContact O-N 3.04Å | ||
| 999 | P | 37.2 | Very low | 45.7 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | trans | -143.8 | 159.5 | 135.1 | 34.1 | -17.5 | 0 | 0 | 0 | 114.6 | V996 | V996-P999 VanDerWaalsContact O-CD 3.28Å; V996-P999 WeakPolarHBondContact O-CD 3.5Å | ||
| 1000 | H | 31.7 | Very low | 43.6 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 80% | 0.801 | 59% | 0.59 | S | S | * | * | trans | 79.3 | 71.7 | 171.1 | -60.7 | -41.3 | 0 | 0 | 0 | 118.4 | K1002 | H1000-K1002 VanDerWaalsContact C-N 3.33Å; H1000-K1002 PolarHBondContact O-N 3.21Å | ||
| 1001 | R | 27.5 | Very low | 41.5 | Very low | 230 Ų | 230 | 132.6 Ų | 132.6 | 87% | 0.868 | 62% | 0.619 | S | S | * | * | -51.5 | 101.5 | 129.1 | -93.2 | -179.8 | 167.7 | 172.7 | -3.6 | 108.6 | |||||
| 1002 | K | 28.8 | Very low | 39.7 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | trans | -177.4 | 110.8 | 144.3 | -99.2 | 161.9 | -171.3 | -172.3 | 0 | 110.3 | H1000 | H1000-K1002 VanDerWaalsContact C-N 3.33Å; H1000-K1002 PolarHBondContact O-N 3.21Å | ||
| 1003 | R | 28.2 | Very low | 38.1 | Very low | 239 Ų | 239 | 141.6 Ų | 141.6 | 90% | 0.902 | 66% | 0.664 | S | S | * | * | trans | 44.5 | 101.6 | 153.8 | -69 | -179.2 | 175.4 | 169.9 | -2.1 | 118.2 | ||||
| 1004 | S | 27.4 | Very low | 36.9 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | 34.8 | 99.1 | 126 | 166.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1005 | Y | 27.2 | Very low | 35.6 | Very low | 225 Ų | 225 | 146.5 Ų | 146.5 | 88% | 0.882 | 69% | 0.694 | S | S | * | * | trans | -147.2 | 122.1 | 138.1 | -106 | -83.9 | 0 | 0 | 0 | 108.6 | K1007 | Y1005-K1007 PolarHBondContact O-N 3.17Å; Y1005-K1007 VanDerWaalsContact O-N 3.17Å | ||
| 1006 | R | 26.9 | Very low | 34.4 | Very low | 255 Ų | 255 | 143.3 Ų | 143.3 | 96% | 0.962 | 69% | 0.689 | S | S | * | * | trans | -51.3 | 114.5 | 173.5 | -86.3 | 177.4 | 172 | 173.9 | -3 | 109.3 | ||||
| 1007 | K | 27.2 | Very low | 33.8 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | -104.3 | 133.6 | 163.8 | -80.4 | -173.7 | 172.4 | -172.1 | 0 | 109.3 | Y1005 | Y1005-K1007 PolarHBondContact O-N 3.17Å; Y1005-K1007 VanDerWaalsContact O-N 3.17Å | ||
| 1008 | T | 27.4 | Very low | 33.8 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | trans | -71.8 | 158 | 179.9 | 40.7 | 0 | 0 | 0 | 0 | 112.4 | T1010 | T1008-T1010 PolarHBondContact O-N 3.03Å; T1008-T1010 VanDerWaalsContact O-N 3.12Å | ||
| 1009 | P | 35.2 | Very low | 34.6 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 60% | 0.604 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -87.8 | 27.5 | -154.8 | 35.6 | -36 | 0 | 0 | 0 | 115.9 | D1011 | P1009-D1011 VanDerWaalsContact C-N 3.33Š|
| 1010 | T | 30.6 | Very low | 35.5 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 72% | 0.718 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -82.4 | -5.5 | 178.3 | 46 | 0 | 0 | 0 | 0 | 114.5 | T1008 Q1012 | T1008-T1010 PolarHBondContact O-N 3.03Å; T1008-T1010 VanDerWaalsContact O-N 3.12Å; T1010-Q1012 VanDerWaalsContact C-N 3.3Å; T1010-Q1012 PolarHBondContact O-N 2.77Å |
| 1011 | D | 33.6 | Very low | 36.8 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -86.9 | 13.5 | 177.2 | -67.7 | -7 | 0 | 0 | 0 | 113.4 | P1009 | P1009-D1011 VanDerWaalsContact C-N 3.33Š|
| 1012 | Q | 37 | Very low | 38.5 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -86.4 | -14.9 | -172 | -73.6 | -172.5 | -10.3 | 0 | 0 | 116 | T1010 G1014 L1015 L1016 | T1010-Q1012 VanDerWaalsContact C-N 3.3Å; T1010-Q1012 PolarHBondContact O-N 2.77Å; Q1012-G1014 PolarHBondContact O-N 3.32Å; Q1012-L1015 PolarHBondContact O-N 2.98Å; Q1012-L1016 PolarHBondContact O-N 3.06Å |
| 1013 | T | 34.1 | Very low | 40.3 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 69% | 0.693 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -38.7 | -173.9 | 37.2 | 0 | 0 | 0 | 0 | 113.6 | L1015 L1016 | T1013-L1015 VanDerWaalsContact C-N 3.33Å; T1013-L1015 PolarHBondContact O-N 2.92Å; T1013-L1016 PolarHBondContact O-N 2.96Å |
| 1014 | G | 42.2 | Very low | 42.1 | Very low | 35 Ų | 35 | 103.9 Ų | 103.9 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69 | -29.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1012 | Q1012-G1014 PolarHBondContact O-N 3.32Å |
| 1015 | L | 39.4 | Very low | 44.2 | Very low | 100 Ų | 100 | 98.7 Ų | 98.7 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.2 | -29.2 | 177.8 | -141.7 | 139.2 | 0 | 0 | 0 | 111.5 | Q1012 T1013 L1019 | Q1012-L1015 PolarHBondContact O-N 2.98Å; T1013-L1015 VanDerWaalsContact C-N 3.33Å; T1013-L1015 PolarHBondContact O-N 2.92Å; L1015-L1019 HydrophobicContact CD2-CD1 4.07Å; L1015-L1019 WeakPolarHBondContact O-CB 3.45Å; L1015-L1019 PolarHBondContact O-N 3.25Å |
| 1016 | L | 38.2 | Very low | 46.6 | Very low | 105 Ų | 105 | 88.1 Ų | 88.1 | 55% | 0.55 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 177.7 | -138.1 | 117.3 | 0 | 0 | 0 | 112.2 | Q1012 T1013 L1019 T1020 | Q1012-L1016 PolarHBondContact O-N 3.06Å; T1013-L1016 PolarHBondContact O-N 2.96Å; L1016-L1019 VanDerWaalsContact O-CB 3.32Å; L1016-L1019 WeakPolarHBondContact O-CB 3.41Å; L1016-L1019 PolarHBondContact O-N 2.84Å; L1016-T1020 PolarHBondContact O-N 2.89Å; L1016-T1020 VanDerWaalsContact O-N 3.09Å |
| 1017 | Y | 44.4 | Very low | 48.9 | Very low | 183 Ų | 183 | 80.4 Ų | 80.4 | 72% | 0.718 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.4 | -45.6 | 176.9 | -102.2 | -87.3 | 0 | 0 | 0 | 112.3 | L1019 T1020 S1021 | Y1017-L1019 VanDerWaalsContact C-N 3.25Å; Y1017-L1019 PolarHBondContact O-N 3.04Å; Y1017-T1020 PolarHBondContact O-N 3.11Å; Y1017-T1020 VanDerWaalsContact O-N 3.16Å; Y1017-T1020 PolarHBondContact O-OG1 3.23Å; Y1017-S1021 PolarHBondContact O-N 3.4Å; Y1017-S1021 VanDerWaalsContact O-N 3.13Å |
| 1018 | G | 52 | Low | 51.3 | Low | 6 Ų | 6 | 72.4 Ų | 72.4 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -30.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1021 A1022 | G1018-S1021 PolarHBondContact O-OG 3.04Å; G1018-A1022 VanDerWaalsContact O-CB 3.26Å; G1018-A1022 WeakPolarHBondContact O-CB 3.4Å; G1018-A1022 PolarHBondContact O-N 3.22Å; G1018-A1022 VanDerWaalsContact O-N 3.11Å |
| 1019 | L | 49.8 | Very low | 53.8 | Low | 46 Ų | 46 | 67 Ų | 67 | 24% | 0.241 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 172.1 | -114.1 | 150.3 | 0 | 0 | 0 | 111.6 | L1015 L1016 Y1017 Q1023 F1057 | L1015-L1019 HydrophobicContact CD2-CD1 4.07Å; L1015-L1019 WeakPolarHBondContact O-CB 3.45Å; L1015-L1019 PolarHBondContact O-N 3.25Å; L1016-L1019 VanDerWaalsContact O-CB 3.32Å; L1016-L1019 WeakPolarHBondContact O-CB 3.41Å; L1016-L1019 PolarHBondContact O-N 2.84Å; Y1017-L1019 VanDerWaalsContact C-N 3.25Å; Y1017-L1019 PolarHBondContact O-N 3.04Å; L1019-Q1023 WeakPolarHBondContact O-CB 3.47Å; L1019-Q1023 VanDerWaalsContact O-CG 3.29Å; L1019-Q1023 WeakPolarHBondContact O-CG 3.33Å; L1019-Q1023 PolarHBondContact O-N 3.4Å; L1019-F1057 HydrophobicContact CD2-CD1 4.41Å; L1019-F1057 HydrophobicContact CG-CD1 3.95Å; L1019-F1057 HydrophobicContact CG-CE1 4.2Å |
| 1020 | T | 56.6 | Low | 56 | Low | 69 Ų | 69 | 64.2 Ų | 64.2 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | -179.8 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | L1016 Y1017 Q1023 V1024 | L1016-T1020 PolarHBondContact O-N 2.89Å; L1016-T1020 VanDerWaalsContact O-N 3.09Å; Y1017-T1020 PolarHBondContact O-N 3.11Å; Y1017-T1020 VanDerWaalsContact O-N 3.16Å; Y1017-T1020 PolarHBondContact O-OG1 3.23Å; T1020-Q1023 PolarHBondContact O-N 2.79Å; T1020-V1024 VanDerWaalsContact O-CG2 3.28Å; T1020-V1024 WeakPolarHBondContact O-CG2 3.39Å; T1020-V1024 PolarHBondContact O-N 3.32Å; T1020-V1024 VanDerWaalsContact O-N 3.14Å |
| 1021 | S | 58.9 | Low | 58.4 | Low | 17 Ų | 17 | 61.6 Ų | 61.6 | 12% | 0.119 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70 | -39.5 | 178.1 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | Y1017 G1018 V1024 A1025 | Y1017-S1021 PolarHBondContact O-N 3.4Å; Y1017-S1021 VanDerWaalsContact O-N 3.13Å; G1018-S1021 PolarHBondContact O-OG 3.04Å; S1021-V1024 PolarHBondContact O-N 2.78Å; S1021-A1025 PolarHBondContact O-N 3.28Å |
| 1022 | A | 64.2 | Low | 60.5 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1018 A1025 V1026 L1053 F1057 | G1018-A1022 VanDerWaalsContact O-CB 3.26Å; G1018-A1022 WeakPolarHBondContact O-CB 3.4Å; G1018-A1022 PolarHBondContact O-N 3.22Å; G1018-A1022 VanDerWaalsContact O-N 3.11Å; A1022-A1025 WeakPolarHBondContact O-CB 3.41Å; A1022-A1025 PolarHBondContact O-N 3.49Å; A1022-V1026 WeakPolarHBondContact O-CG2 3.32Å; A1022-V1026 PolarHBondContact O-N 3.06Å; A1022-L1053 HydrophobicContact CB-CD1 4.39Å; A1022-F1057 HydrophobicContact CB-CD1 4.49Å; A1022-F1057 HydrophobicContact CB-CD2 3.3Å; A1022-F1057 HydrophobicContact CB-CE2 3.43Å; A1022-F1057 VanDerWaalsContact CB-CE2 3.43Å; A1022-F1057 HydrophobicContact CB-CG 3.88Å; A1022-F1057 HydrophobicContact CB-CZ 4.11Å |
| 1023 | Q | 65.3 | Low | 62.4 | Low | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.3 | -81.9 | 176.9 | -18.7 | 0 | 0 | 111.9 | L1019 T1020 A1025 V1026 A1060 | L1019-Q1023 WeakPolarHBondContact O-CB 3.47Å; L1019-Q1023 VanDerWaalsContact O-CG 3.29Å; L1019-Q1023 WeakPolarHBondContact O-CG 3.33Å; L1019-Q1023 PolarHBondContact O-N 3.4Å; T1020-Q1023 PolarHBondContact O-N 2.79Å; Q1023-A1025 PolarHBondContact O-N 2.54Å; Q1023-V1026 PolarHBondContact O-N 2.86Å; Q1023-A1060 HydrophobicContact CG-CB 3.67Å |
| 1024 | V | 66.8 | Low | 64.4 | Low | 81 Ų | 81 | 48.2 Ų | 48.2 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65 | -24.5 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | V909 T1020 S1021 P1028 | V909-V1024 HydrophobicContact CG1-CG1 4.38Å; T1020-V1024 VanDerWaalsContact O-CG2 3.28Å; T1020-V1024 WeakPolarHBondContact O-CG2 3.39Å; T1020-V1024 PolarHBondContact O-N 3.32Å; T1020-V1024 VanDerWaalsContact O-N 3.14Å; S1021-V1024 PolarHBondContact O-N 2.78Å; V1024-P1028 WeakPolarHBondContact O-CD 3.3Å; V1024-P1028 WeakPolarHBondContact O-CG 3.13Å |
| 1025 | A | 71.9 | Confident | 66.1 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.6 | -24.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | V909 S1021 A1022 Q1023 P1028 I1029 | V909-A1025 HydrophobicContact CG2-CB 3.52Å; S1021-A1025 PolarHBondContact O-N 3.28Å; A1022-A1025 WeakPolarHBondContact O-CB 3.41Å; A1022-A1025 PolarHBondContact O-N 3.49Å; Q1023-A1025 PolarHBondContact O-N 2.54Å; A1025-P1028 WeakPolarHBondContact O-CD 3.48Å; A1025-I1029 HydrophobicContact CB-CD1 4.1Å; A1025-I1029 WeakPolarHBondContact O-CB 3.1Å; A1025-I1029 VanDerWaalsContact O-CD1 3.22Å; A1025-I1029 WeakPolarHBondContact O-CD1 3.05Å; A1025-I1029 WeakPolarHBondContact O-CG1 3.24Å; A1025-I1029 PolarHBondContact O-N 3.45Å |
| 1026 | V | 76 | Confident | 68.1 | Low | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -51.1 | -172.5 | -177 | 0 | 0 | 0 | 0 | 111.9 | A1022 Q1023 I1029 F1030 F1050 L1053 A1060 H1064 | A1022-V1026 WeakPolarHBondContact O-CG2 3.32Å; A1022-V1026 PolarHBondContact O-N 3.06Å; Q1023-V1026 PolarHBondContact O-N 2.86Å; V1026-I1029 PolarHBondContact O-N 2.99Å; V1026-F1030 WeakPolarHBondContact O-CB 3.29Å; V1026-F1030 PolarHBondContact O-N 3.06Å; V1026-F1050 HydrophobicContact CG1-CE1 4.18Å; V1026-L1053 HydrophobicContact CG2-CD2 3.77Å; V1026-A1060 HydrophobicContact CG2-CB 4.07Å; V1026-H1064 HydrophobicContact CG1-CB 4.43Å |
| 1027 | D | 76.9 | Confident | 69.6 | Low | 94 Ų | 94 | 40.3 Ų | 40.3 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.1 | -44.7 | -174.3 | -49.2 | -21.1 | 0 | 0 | 0 | 112.4 | I1029 F1030 L1031 H1064 | D1027-I1029 PolarHBondContact O-N 3.41Å; D1027-F1030 PolarHBondContact O-N 3.09Å; D1027-L1031 WeakPolarHBondContact O-CB 3.46Å; D1027-L1031 PolarHBondContact O-N 2.91Å; D1027-H1064 IonicContact OD1-CE1 3.85Å; D1027-H1064 PolarHBondContact OD1-CE1 3.26Å; D1027-H1064 IonicContact OD1-NE2 2.8Å; D1027-H1064 PolarHBondContact OD1-NE2 3Å |
| 1028 | P | 77.6 | Confident | 70.9 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 174.8 | -24.4 | 35.6 | 0 | 0 | 0 | 113.4 | V909 L912 T913 L916 V1024 A1025 L1031 C1032 | V909-P1028 HydrophobicContact CG1-CG 4.07Å; L912-P1028 HydrophobicContact CD2-CB 3.99Å; T913-P1028 HydrophobicContact CG2-CB 3.73Å; T913-P1028 HydrophobicContact CG2-CG 3.49Å; T913-P1028 VanDerWaalsContact CG2-CG 3.49Å; L916-P1028 HydrophobicContact CD1-CB 4.36Å; L916-P1028 WeakPolarHBondContact CD1-O 3.37Å; V1024-P1028 WeakPolarHBondContact O-CD 3.3Å; V1024-P1028 WeakPolarHBondContact O-CG 3.13Å; A1025-P1028 WeakPolarHBondContact O-CD 3.48Å; P1028-L1031 PolarHBondContact O-N 3.4Å; P1028-C1032 PolarHBondContact O-N 2.92Å; P1028-C1032 PolarHBondContact O-SG 3.27Å |
| 1029 | I | 80.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 177.2 | -66.7 | 166.1 | 0 | 0 | 0 | 110.1 | L912 L983 I986 A1025 V1026 D1027 C1032 V1046 C1049 F1050 | L912-I1029 HydrophobicContact CD2-CG1 4.06Å; L983-I1029 HydrophobicContact CD2-CG1 4.43Å; L983-I1029 HydrophobicContact CD2-CG2 4.21Å; I986-I1029 HydrophobicContact CG2-CD1 4.29Å; A1025-I1029 HydrophobicContact CB-CD1 4.1Å; A1025-I1029 WeakPolarHBondContact O-CB 3.1Å; A1025-I1029 VanDerWaalsContact O-CD1 3.22Å; A1025-I1029 WeakPolarHBondContact O-CD1 3.05Å; A1025-I1029 WeakPolarHBondContact O-CG1 3.24Å; A1025-I1029 PolarHBondContact O-N 3.45Å; V1026-I1029 PolarHBondContact O-N 2.99Å; D1027-I1029 PolarHBondContact O-N 3.41Å; I1029-C1032 VanDerWaalsContact O-CB 3.26Å; I1029-C1032 WeakPolarHBondContact O-CB 3.29Å; I1029-C1032 PolarHBondContact O-N 3Å; I1029-V1046 HydrophobicContact CG2-CG1 3.83Å; I1029-C1049 HydrophobicContact CG2-CB 4.49Å; I1029-F1050 HydrophobicContact CB-CE1 4.49Å; I1029-F1050 HydrophobicContact CB-CZ 4.22Å; I1029-F1050 HydrophobicContact CG2-CE1 4.03Å; I1029-F1050 HydrophobicContact CG2-CE2 3.93Å; I1029-F1050 HydrophobicContact CG2-CZ 3.66Å |
| 1030 | F | 80 | Confident | 73.3 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 175.2 | -169.4 | -98.5 | 0 | 0 | 0 | 111.9 | V1026 D1027 C1032 L1033 F1050 H1064 L1068 | V1026-F1030 WeakPolarHBondContact O-CB 3.29Å; V1026-F1030 PolarHBondContact O-N 3.06Å; D1027-F1030 PolarHBondContact O-N 3.09Å; F1030-C1032 PolarHBondContact O-N 3.19Å; F1030-C1032 VanDerWaalsContact O-N 3.15Å; F1030-L1033 HydrophobicContact CD2-CD1 4.2Å; F1030-L1033 HydrophobicContact CE2-CD1 4.29Å; F1030-L1033 VanDerWaalsContact O-CB 3.32Å; F1030-L1033 WeakPolarHBondContact O-CB 3.35Å; F1030-L1033 PolarHBondContact O-N 3.38Å; F1030-F1050 HydrophobicContact CB-CZ 4.02Å; F1030-F1050 HydrophobicContact CD2-CE2 4.38Å; F1030-F1050 HydrophobicContact CD2-CZ 4.2Å; F1030-H1064 HydrophobicContact CD2-CB 4.48Å; F1030-H1064 AromaticContact CG-CD2 3.96Å; F1030-L1068 HydrophobicContact CD2-CD1 4.16Å; F1030-L1068 HydrophobicContact CE2-CB 4.29Å; F1030-L1068 HydrophobicContact CE2-CD1 4.11Å |
| 1031 | L | 80.5 | Confident | 74.3 | Confident | 61 Ų | 61 | 38.2 Ų | 38.2 | 32% | 0.319 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.7 | -25.1 | 176.7 | -169.8 | 71.1 | 0 | 0 | 0 | 112.5 | L916 D1027 P1028 L1033 T1034 V1035 | L916-L1031 HydrophobicContact CD1-CB 4.47Å; L916-L1031 HydrophobicContact CD1-CD2 4.29Å; D1027-L1031 WeakPolarHBondContact O-CB 3.46Å; D1027-L1031 PolarHBondContact O-N 2.91Å; P1028-L1031 PolarHBondContact O-N 3.4Å; L1031-L1033 PolarHBondContact O-N 3.49Å; L1031-T1034 WeakPolarHBondContact CD1-OG1 3.41Å; L1031-T1034 PolarHBondContact O-N 3.39Å; L1031-T1034 PolarHBondContact O-OG1 2.99Å; L1031-V1035 HydrophobicContact CD1-CG2 4.28Å; L1031-V1035 HydrophobicContact CG-CG2 3.88Å; L1031-V1035 WeakPolarHBondContact O-CB 3.4Å; L1031-V1035 VanDerWaalsContact O-CG2 3.3Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.3Å; L1031-V1035 PolarHBondContact O-N 3.16Å |
| 1032 | C | 79 | Confident | 75.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -34.7 | 173 | -63 | 0 | 0 | 0 | 0 | 112.3 | P1028 I1029 F1030 Y1036 L1042 V1046 | P1028-C1032 PolarHBondContact O-N 2.92Å; P1028-C1032 PolarHBondContact O-SG 3.27Å; I1029-C1032 VanDerWaalsContact O-CB 3.26Å; I1029-C1032 WeakPolarHBondContact O-CB 3.29Å; I1029-C1032 PolarHBondContact O-N 3Å; F1030-C1032 PolarHBondContact O-N 3.19Å; F1030-C1032 VanDerWaalsContact O-N 3.15Å; C1032-Y1036 PolarHBondContact O-N 3.25Å; C1032-L1042 HydrophobicContact CB-CD2 4.1Å; C1032-V1046 HydrophobicContact CB-CG2 3.97Å |
| 1033 | L | 76.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -36.1 | 178 | -60.9 | 178.6 | 0 | 0 | 0 | 111.9 | F1030 L1031 H1043 V1046 F1050 L1068 W1071 | F1030-L1033 HydrophobicContact CD2-CD1 4.2Å; F1030-L1033 HydrophobicContact CE2-CD1 4.29Å; F1030-L1033 VanDerWaalsContact O-CB 3.32Å; F1030-L1033 WeakPolarHBondContact O-CB 3.35Å; F1030-L1033 PolarHBondContact O-N 3.38Å; L1031-L1033 PolarHBondContact O-N 3.49Å; L1033-H1043 HydrophobicContact CD2-CB 4.2Å; L1033-V1046 HydrophobicContact CD1-CG1 4.07Å; L1033-V1046 HydrophobicContact CD2-CB 3.79Å; L1033-V1046 HydrophobicContact CD2-CG1 3.6Å; L1033-V1046 HydrophobicContact CD2-CG2 4.2Å; L1033-V1046 HydrophobicContact CG-CB 4.46Å; L1033-V1046 HydrophobicContact CG-CG1 3.77Å; L1033-F1050 HydrophobicContact CD1-CE2 4.41Å; L1033-L1068 HydrophobicContact CD1-CD1 3.82Å; L1033-W1071 HydrophobicContact CB-CD2 4.41Å; L1033-W1071 HydrophobicContact CB-CH2 4.27Å; L1033-W1071 HydrophobicContact CB-CZ2 3.83Å; L1033-W1071 HydrophobicContact CD1-CD2 4.18Å; L1033-W1071 HydrophobicContact CD1-CE3 3.98Å; L1033-W1071 HydrophobicContact CD1-CH2 4.48Å; L1033-W1071 HydrophobicContact CD1-CZ3 4.15Å; L1033-W1071 HydrophobicContact CD2-CH2 3.7Å; L1033-W1071 HydrophobicContact CD2-CZ2 4.13Å; L1033-W1071 HydrophobicContact CD2-CZ3 3.95Å; L1033-W1071 HydrophobicContact CG-CH2 4.37Å; L1033-W1071 HydrophobicContact CG-CZ2 4.41Å; L1033-W1071 HydrophobicContact CG-CZ3 4.5Å |
| 1034 | T | 75.2 | Confident | 76.9 | Confident | 74 Ų | 74 | 34.8 Ų | 34.8 | 45% | 0.454 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -83.7 | -34.7 | -178.7 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | L1031 | L1031-T1034 WeakPolarHBondContact CD1-OG1 3.41Å; L1031-T1034 PolarHBondContact O-N 3.39Å; L1031-T1034 PolarHBondContact O-OG1 2.99Å |
| 1035 | V | 79.3 | Confident | 77.7 | Confident | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.5 | -33.4 | -179.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L916 E919 Q920 K923 L1031 P1037 | L916-V1035 HydrophobicContact CD2-CB 4.36Å; L916-V1035 HydrophobicContact CD2-CG1 4.4Å; L916-V1035 HydrophobicContact CD2-CG2 4.49Å; E919-V1035 HydrophobicContact CB-CG1 4.34Å; E919-V1035 HydrophobicContact CG-CG1 3.93Å; Q920-V1035 HydrophobicContact CG-CG2 4.01Å; K923-V1035 PolarHBondContact NZ-O 2.86Å; L1031-V1035 HydrophobicContact CD1-CG2 4.28Å; L1031-V1035 HydrophobicContact CG-CG2 3.88Å; L1031-V1035 WeakPolarHBondContact O-CB 3.4Å; L1031-V1035 VanDerWaalsContact O-CG2 3.3Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.3Å; L1031-V1035 PolarHBondContact O-N 3.16Å; V1035-P1037 VanDerWaalsContact C-CD 3.47Å; V1035-P1037 VanDerWaalsContact O-CD 3.29Å; V1035-P1037 WeakPolarHBondContact O-CD 3.09Å |
| 1036 | Y | 79.8 | Confident | 78.2 | Confident | 6 Ų | 6 | 32 Ų | 32 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | trans | -118.3 | 70.9 | -179.4 | -61.8 | -78 | 0 | 0 | 0 | 112 | L916 E919 R976 I979 C1032 D1038 W1039 L1042 H1043 | L916-Y1036 HydrophobicContact CD2-CE2 3.97Å; E919-Y1036 VanDerWaalsContact CB-OH 3.31Å; E919-Y1036 WeakPolarHBondContact CB-OH 3.32Å; E919-Y1036 HydrophobicContact CG-CE1 3.74Å; E919-Y1036 WeakPolarHBondContact CG-OH 3.33Å; E919-Y1036 PolarHBondContact OE2-OH 3.07Å; R976-Y1036 HydrophobicContact CG-CE1 4.24Å; I979-Y1036 HydrophobicContact CD1-CE2 3.42Å; I979-Y1036 VanDerWaalsContact CD1-CE2 3.42Å; I979-Y1036 WeakPolarHBondContact CD1-OH 3.49Å; C1032-Y1036 PolarHBondContact O-N 3.25Å; Y1036-D1038 PolarHBondContact O-N 3.44Å; Y1036-W1039 HydrophobicContact CD1-CE3 4.18Å; Y1036-W1039 HydrophobicContact CG-CE3 4.25Å; Y1036-W1039 PolarHBondContact O-N 3.49Å; Y1036-L1042 HydrophobicContact CD2-CD1 4.03Å; Y1036-L1042 HydrophobicContact CG-CD1 4.44Å; Y1036-H1043 PolarHBondContact O-CE1 3.46Å; Y1036-H1043 PolarHBondContact O-NE2 3.02Å | ||
| 1037 | P | 70.5 | Confident | 78.4 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 38% | 0.383 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.4 | -176.8 | 27.5 | -35.2 | 0 | 0 | 0 | 113.7 | V1035 H1043 Q1077 | V1035-P1037 VanDerWaalsContact C-CD 3.47Å; V1035-P1037 VanDerWaalsContact O-CD 3.29Å; V1035-P1037 WeakPolarHBondContact O-CD 3.09Å; P1037-H1043 PolarHBondContact O-CE1 3.43Å; P1037-H1043 VanDerWaalsContact O-CE1 3.23Å; P1037-Q1077 PolarHBondContact O-OE1 3.21Å |
| 1038 | D | 72.4 | Confident | 78.6 | Confident | 125 Ų | 125 | 29.9 Ų | 29.9 | 67% | 0.668 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.9 | -174.3 | -48.8 | -48.6 | 0 | 0 | 0 | 113.8 | Y1036 | Y1036-D1038 PolarHBondContact O-N 3.44Š|
| 1039 | W | 75.6 | Confident | 78.8 | Confident | 51 Ų | 51 | 29.3 Ų | 29.3 | 19% | 0.193 | 16% | 0.157 | C | C | . | . | trans | -106.9 | 83.2 | -167.1 | -162.3 | 6 | 0 | 0 | 0 | 114.2 | R976 Y1036 S1041 L1042 H1043 | R976-W1039 VanDerWaalsContact C-CH2 3.45Å; R976-W1039 HydrophobicContact CB-CE3 4.29Å; R976-W1039 HydrophobicContact CB-CH2 3.38Å; R976-W1039 HydrophobicContact CB-CZ2 4.24Å; R976-W1039 HydrophobicContact CB-CZ3 3.38Å; R976-W1039 HydrophobicContact CG-CE3 3.98Å; R976-W1039 HydrophobicContact CG-CH2 4.01Å; R976-W1039 HydrophobicContact CG-CZ3 3.49Å; R976-W1039 VanDerWaalsContact CG-CZ3 3.49Å; R976-W1039 WeakPolarHBondContact O-CH2 3.24Å; Y1036-W1039 HydrophobicContact CD1-CE3 4.18Å; Y1036-W1039 HydrophobicContact CG-CE3 4.25Å; Y1036-W1039 PolarHBondContact O-N 3.49Å; W1039-S1041 PolarHBondContact NE1-OG 3.11Å; W1039-S1041 PolarHBondContact O-N 3.44Å; W1039-L1042 HydrophobicContact CB-CB 4.23Å; W1039-L1042 HydrophobicContact CD2-CB 3.65Å; W1039-L1042 HydrophobicContact CD2-CD1 4.19Å; W1039-L1042 HydrophobicContact CE3-CB 3.83Å; W1039-L1042 HydrophobicContact CE3-CD1 3.45Å; W1039-L1042 VanDerWaalsContact CE3-CD1 3.45Å; W1039-L1042 HydrophobicContact CE3-CG 4.24Å; W1039-L1042 HydrophobicContact CG-CB 3.85Å; W1039-L1042 HydrophobicContact CH2-CD1 4.25Å; W1039-L1042 HydrophobicContact CZ3-CB 4.3Å; W1039-L1042 HydrophobicContact CZ3-CD1 3.46Å; W1039-L1042 VanDerWaalsContact CZ3-CD1 3.46Å; W1039-L1042 WeakPolarHBondContact O-CB 3.3Å; W1039-L1042 PolarHBondContact O-N 3.28Å; W1039-H1043 PolarHBondContact O-CD2 3.43Å; W1039-H1043 PolarHBondContact O-N 3.42Å; W1039-H1043 VanDerWaalsContact O-N 3.12Å | ||
| 1040 | M | 76.2 | Confident | 78.8 | Confident | 40 Ų | 40 | 29.3 Ų | 29.3 | 20% | 0.197 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.5 | -44.9 | -174.7 | -174.6 | 70.8 | 84.4 | 0 | 0 | 115.2 | L1042 H1043 Q1044 Q1077 L1078 L1081 | M1040-L1042 VanDerWaalsContact C-N 3.32Å; M1040-L1042 PolarHBondContact O-N 3.35Å; M1040-H1043 WeakPolarHBondContact O-CB 3.38Å; M1040-H1043 PolarHBondContact O-N 3.34Å; M1040-Q1044 PolarHBondContact O-N 3.16Å; M1040-Q1077 WeakPolarHBondContact CE-O 3.32Å; M1040-L1078 HydrophobicContact CE-CD1 4.48Å; M1040-L1078 HydrophobicContact SD-CB 4.41Å; M1040-L1078 HydrophobicContact SD-CD1 3.42Å; M1040-L1078 WeakPolarHBondContact SD-CD1 3.44Å; M1040-L1078 HydrophobicContact SD-CG 4.49Å; M1040-L1081 HydrophobicContact CE-CD1 3.71Å |
| 1041 | S | 77.7 | Confident | 78.7 | Confident | 44 Ų | 44 | 27.8 Ų | 27.8 | 31% | 0.308 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69 | -32.9 | -177.4 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | W1039 Q1044 Q1045 | W1039-S1041 PolarHBondContact NE1-OG 3.11Å; W1039-S1041 PolarHBondContact O-N 3.44Å; S1041-Q1044 PolarHBondContact O-N 3.38Å; S1041-Q1045 PolarHBondContact O-N 3.2Å; S1041-Q1045 VanDerWaalsContact O-N 3.08Å |
| 1042 | L | 80.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 170.6 | 176.8 | 148.6 | 0 | 0 | 0 | 110.6 | I979 L983 C1032 Y1036 W1039 M1040 Q1044 Q1045 V1046 | I979-L1042 HydrophobicContact CG2-CD1 3.71Å; L983-L1042 HydrophobicContact CD1-CD1 4.22Å; L983-L1042 HydrophobicContact CD1-CG 4.03Å; C1032-L1042 HydrophobicContact CB-CD2 4.1Å; Y1036-L1042 HydrophobicContact CD2-CD1 4.03Å; Y1036-L1042 HydrophobicContact CG-CD1 4.44Å; W1039-L1042 HydrophobicContact CB-CB 4.23Å; W1039-L1042 HydrophobicContact CD2-CB 3.65Å; W1039-L1042 HydrophobicContact CD2-CD1 4.19Å; W1039-L1042 HydrophobicContact CE3-CB 3.83Å; W1039-L1042 HydrophobicContact CE3-CD1 3.45Å; W1039-L1042 VanDerWaalsContact CE3-CD1 3.45Å; W1039-L1042 HydrophobicContact CE3-CG 4.24Å; W1039-L1042 HydrophobicContact CG-CB 3.85Å; W1039-L1042 HydrophobicContact CH2-CD1 4.25Å; W1039-L1042 HydrophobicContact CZ3-CB 4.3Å; W1039-L1042 HydrophobicContact CZ3-CD1 3.46Å; W1039-L1042 VanDerWaalsContact CZ3-CD1 3.46Å; W1039-L1042 WeakPolarHBondContact O-CB 3.3Å; W1039-L1042 PolarHBondContact O-N 3.28Å; M1040-L1042 VanDerWaalsContact C-N 3.32Å; M1040-L1042 PolarHBondContact O-N 3.35Å; L1042-Q1044 PolarHBondContact O-N 2.85Å; L1042-Q1045 PolarHBondContact O-N 3.26Å; L1042-V1046 HydrophobicContact CD2-CG2 3.99Å; L1042-V1046 HydrophobicContact CG-CG2 4.43Å; L1042-V1046 VanDerWaalsContact O-CG2 3.31Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.23Å; L1042-V1046 PolarHBondContact O-N 3.36Å |
| 1043 | H | 80.9 | Confident | 78.5 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 175.8 | -58.2 | 163 | 0 | 0 | 0 | 112.5 | L1033 Y1036 P1037 W1039 M1040 Q1045 V1046 L1047 W1071 | L1033-H1043 HydrophobicContact CD2-CB 4.2Å; Y1036-H1043 PolarHBondContact O-CE1 3.46Å; Y1036-H1043 PolarHBondContact O-NE2 3.02Å; P1037-H1043 PolarHBondContact O-CE1 3.43Å; P1037-H1043 VanDerWaalsContact O-CE1 3.23Å; W1039-H1043 PolarHBondContact O-CD2 3.43Å; W1039-H1043 PolarHBondContact O-N 3.42Å; W1039-H1043 VanDerWaalsContact O-N 3.12Å; M1040-H1043 WeakPolarHBondContact O-CB 3.38Å; M1040-H1043 PolarHBondContact O-N 3.34Å; H1043-Q1045 VanDerWaalsContact C-N 3.31Å; H1043-Q1045 PolarHBondContact O-N 3.38Å; H1043-V1046 PolarHBondContact O-N 2.64Å; H1043-L1047 VanDerWaalsContact O-CG 3.26Å; H1043-L1047 WeakPolarHBondContact O-CG 3.23Å; H1043-L1047 PolarHBondContact O-N 3.43Å; H1043-W1071 HydrophobicContact CB-CH2 3.97Å; H1043-W1071 AromaticContact CD2-CH2 3.78Å; H1043-W1071 AromaticContact CE1-CH2 3.77Å; H1043-W1071 AromaticContact CE1-CZ2 3.84Å; H1043-W1071 AromaticContact CG-CH2 3.53Å; H1043-W1071 AromaticContact ND1-CH2 3.53Å; H1043-W1071 AromaticContact NE2-CH2 3.92Å; H1043-W1071 AromaticContact NE2-CZ2 3.86Å |
| 1044 | Q | 81.1 | Confident | 78.3 | Confident | 36 Ų | 36 | 26.4 Ų | 26.4 | 17% | 0.168 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 174.9 | -71.1 | 171.6 | -13.2 | 0 | 0 | 111.7 | M1040 S1041 L1042 L1047 L1048 N1086 I1089 | M1040-Q1044 PolarHBondContact O-N 3.16Å; S1041-Q1044 PolarHBondContact O-N 3.38Å; L1042-Q1044 PolarHBondContact O-N 2.85Å; Q1044-L1047 PolarHBondContact O-N 3.18Å; Q1044-L1048 WeakPolarHBondContact O-CG 3.43Å; Q1044-L1048 PolarHBondContact O-N 2.84Å; Q1044-N1086 PolarHBondContact NE2-OD1 3.45Å; Q1044-I1089 HydrophobicContact CB-CD1 4.16Å; Q1044-I1089 HydrophobicContact CG-CD1 4.1Å |
| 1045 | Q | 83.5 | Confident | 78 | Confident | 21 Ų | 21 | 25.8 Ų | 25.8 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.9 | -39 | 178.8 | -167.8 | 62.5 | 22.6 | 0 | 0 | 112.5 | Y980 L983 I984 T987 S1041 L1042 H1043 L1047 L1048 C1049 | Y980-Q1045 HydrophobicContact CD2-CB 4.32Å; Y980-Q1045 HydrophobicContact CE2-CB 3.85Å; Y980-Q1045 HydrophobicContact CE2-CG 4.21Å; L983-Q1045 HydrophobicContact CB-CG 3.84Å; I984-Q1045 HydrophobicContact CG1-CG 4.08Å; T987-Q1045 VanDerWaalsContact CG2-NE2 3.33Å; T987-Q1045 PolarHBondContact OG1-NE2 2.89Å; S1041-Q1045 PolarHBondContact O-N 3.2Å; S1041-Q1045 VanDerWaalsContact O-N 3.08Å; L1042-Q1045 PolarHBondContact O-N 3.26Å; H1043-Q1045 VanDerWaalsContact C-N 3.31Å; H1043-Q1045 PolarHBondContact O-N 3.38Å; Q1045-L1047 VanDerWaalsContact C-N 3.34Å; Q1045-L1048 PolarHBondContact O-N 3.38Å; Q1045-C1049 WeakPolarHBondContact O-CB 3.26Å; Q1045-C1049 PolarHBondContact O-N 2.84Å |
| 1046 | V | 82.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 173.2 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | L983 I1029 C1032 L1033 L1042 H1043 C1049 F1050 | L983-V1046 HydrophobicContact CD1-CG2 3.75Å; L983-V1046 HydrophobicContact CD2-CG2 3.9Å; I1029-V1046 HydrophobicContact CG2-CG1 3.83Å; C1032-V1046 HydrophobicContact CB-CG2 3.97Å; L1033-V1046 HydrophobicContact CD1-CG1 4.07Å; L1033-V1046 HydrophobicContact CD2-CB 3.79Å; L1033-V1046 HydrophobicContact CD2-CG1 3.6Å; L1033-V1046 HydrophobicContact CD2-CG2 4.2Å; L1033-V1046 HydrophobicContact CG-CB 4.46Å; L1033-V1046 HydrophobicContact CG-CG1 3.77Å; L1042-V1046 HydrophobicContact CD2-CG2 3.99Å; L1042-V1046 HydrophobicContact CG-CG2 4.43Å; L1042-V1046 VanDerWaalsContact O-CG2 3.31Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.23Å; L1042-V1046 PolarHBondContact O-N 3.36Å; H1043-V1046 PolarHBondContact O-N 2.64Å; V1046-C1049 VanDerWaalsContact O-CB 3.27Å; V1046-C1049 WeakPolarHBondContact O-CB 3.41Å; V1046-C1049 PolarHBondContact O-N 3.43Å; V1046-C1049 VanDerWaalsContact O-N 3.16Å; V1046-F1050 HydrophobicContact CG1-CD2 3.65Å; V1046-F1050 HydrophobicContact CG1-CE2 3.34Å; V1046-F1050 HydrophobicContact CG1-CZ 4.35Å; V1046-F1050 VanDerWaalsContact O-CD2 3.25Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.38Å; V1046-F1050 PolarHBondContact O-N 2.92Å |
| 1047 | L | 81 | Confident | 76.7 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.3 | -69.6 | 169.1 | 0 | 0 | 0 | 111.9 | H1043 Q1044 Q1045 C1049 F1050 I1051 L1068 V1072 L1078 I1089 L1093 | H1043-L1047 VanDerWaalsContact O-CG 3.26Å; H1043-L1047 WeakPolarHBondContact O-CG 3.23Å; H1043-L1047 PolarHBondContact O-N 3.43Å; Q1044-L1047 PolarHBondContact O-N 3.18Å; Q1045-L1047 VanDerWaalsContact C-N 3.34Å; L1047-C1049 VanDerWaalsContact C-N 3.3Å; L1047-C1049 PolarHBondContact O-N 3.39Å; L1047-F1050 PolarHBondContact O-N 3.23Å; L1047-I1051 VanDerWaalsContact O-CG1 3.27Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.31Å; L1047-I1051 PolarHBondContact O-N 3.45Å; L1047-L1068 HydrophobicContact CD2-CD1 4.39Å; L1047-L1068 HydrophobicContact CD2-CD2 4.37Å; L1047-L1068 HydrophobicContact CD2-CG 4.46Å; L1047-V1072 HydrophobicContact CD2-CG2 3.77Å; L1047-L1078 HydrophobicContact CD1-CD2 4.24Å; L1047-I1089 HydrophobicContact CB-CG2 3.9Å; L1047-I1089 HydrophobicContact CD1-CG2 4.28Å; L1047-L1093 HydrophobicContact CD2-CD2 4.08Å |
| 1048 | L | 82.3 | Confident | 76.6 | Confident | 47 Ų | 47 | 25.3 Ų | 25.3 | 25% | 0.246 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 172.5 | -72.9 | 167.1 | 0 | 0 | 0 | 111.8 | Q1044 Q1045 I1051 E1052 | Q1044-L1048 WeakPolarHBondContact O-CG 3.43Å; Q1044-L1048 PolarHBondContact O-N 2.84Å; Q1045-L1048 PolarHBondContact O-N 3.38Å; L1048-I1051 HydrophobicContact CD2-CD1 4.41Å; L1048-I1051 WeakPolarHBondContact O-CB 3.18Å; L1048-I1051 PolarHBondContact O-N 2.88Å; L1048-E1052 PolarHBondContact O-N 2.97Å; L1048-E1052 VanDerWaalsContact O-N 3.07Å |
| 1049 | C | 81.5 | Confident | 76.2 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.3 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | T987 I1029 Q1045 V1046 L1047 I1051 E1052 L1053 | T987-C1049 HydrophobicContact CG2-CB 3.36Å; I1029-C1049 HydrophobicContact CG2-CB 4.49Å; Q1045-C1049 WeakPolarHBondContact O-CB 3.26Å; Q1045-C1049 PolarHBondContact O-N 2.84Å; V1046-C1049 VanDerWaalsContact O-CB 3.27Å; V1046-C1049 WeakPolarHBondContact O-CB 3.41Å; V1046-C1049 PolarHBondContact O-N 3.43Å; V1046-C1049 VanDerWaalsContact O-N 3.16Å; L1047-C1049 VanDerWaalsContact C-N 3.3Å; L1047-C1049 PolarHBondContact O-N 3.39Å; C1049-I1051 VanDerWaalsContact C-N 3.35Å; C1049-E1052 PolarHBondContact O-N 3.38Å; C1049-L1053 VanDerWaalsContact O-CB 3.26Å; C1049-L1053 WeakPolarHBondContact O-CB 3.24Å; C1049-L1053 PolarHBondContact O-N 3.39Å |
| 1050 | F | 80 | Confident | 75.8 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.3 | -35 | 176.7 | -75.4 | -53.5 | 0 | 0 | 0 | 112.9 | V1026 I1029 F1030 L1033 V1046 L1047 L1053 S1054 L1061 L1068 L1093 | V1026-F1050 HydrophobicContact CG1-CE1 4.18Å; I1029-F1050 HydrophobicContact CB-CE1 4.49Å; I1029-F1050 HydrophobicContact CB-CZ 4.22Å; I1029-F1050 HydrophobicContact CG2-CE1 4.03Å; I1029-F1050 HydrophobicContact CG2-CE2 3.93Å; I1029-F1050 HydrophobicContact CG2-CZ 3.66Å; F1030-F1050 HydrophobicContact CB-CZ 4.02Å; F1030-F1050 HydrophobicContact CD2-CE2 4.38Å; F1030-F1050 HydrophobicContact CD2-CZ 4.2Å; L1033-F1050 HydrophobicContact CD1-CE2 4.41Å; V1046-F1050 HydrophobicContact CG1-CD2 3.65Å; V1046-F1050 HydrophobicContact CG1-CE2 3.34Å; V1046-F1050 HydrophobicContact CG1-CZ 4.35Å; V1046-F1050 VanDerWaalsContact O-CD2 3.25Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.38Å; V1046-F1050 PolarHBondContact O-N 2.92Å; L1047-F1050 PolarHBondContact O-N 3.23Å; F1050-L1053 HydrophobicContact CD1-CD2 4.21Å; F1050-L1053 PolarHBondContact O-N 2.89Å; F1050-S1054 VanDerWaalsContact O-CB 3.25Å; F1050-S1054 WeakPolarHBondContact O-CB 3.15Å; F1050-S1054 PolarHBondContact O-N 3.32Å; F1050-S1054 PolarHBondContact O-OG 3.1Å; F1050-L1061 HydrophobicContact CB-CD2 4.48Å; F1050-L1061 HydrophobicContact CD1-CD1 4.44Å; F1050-L1061 HydrophobicContact CD1-CD2 3.69Å; F1050-L1061 HydrophobicContact CD1-CG 4.31Å; F1050-L1061 HydrophobicContact CE1-CD2 4.23Å; F1050-L1061 HydrophobicContact CG-CD2 4.3Å; F1050-L1068 HydrophobicContact CD2-CD1 3.51Å; F1050-L1068 HydrophobicContact CD2-CD2 4.35Å; F1050-L1068 HydrophobicContact CE2-CD1 3.5Å; F1050-L1068 VanDerWaalsContact CE2-CD1 3.5Å; F1050-L1068 HydrophobicContact CG-CD1 4.38Å; F1050-L1068 HydrophobicContact CZ-CD1 4.37Å; F1050-L1093 HydrophobicContact CB-CD1 4.44Å |
| 1051 | I | 76.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.2 | -52.2 | 172.7 | -71.8 | 164.8 | 0 | 0 | 0 | 110.1 | L1047 L1048 C1049 S1054 I1089 R1092 L1093 V1096 | L1047-I1051 VanDerWaalsContact O-CG1 3.27Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.31Å; L1047-I1051 PolarHBondContact O-N 3.45Å; L1048-I1051 HydrophobicContact CD2-CD1 4.41Å; L1048-I1051 WeakPolarHBondContact O-CB 3.18Å; L1048-I1051 PolarHBondContact O-N 2.88Å; C1049-I1051 VanDerWaalsContact C-N 3.35Å; I1051-S1054 PolarHBondContact O-N 3.45Å; I1051-S1054 PolarHBondContact O-OG 2.78Å; I1051-I1089 HydrophobicContact CD1-CG2 4.18Å; I1051-R1092 HydrophobicContact CD1-CB 4.16Å; I1051-R1092 HydrophobicContact CD1-CG 4.07Å; I1051-R1092 HydrophobicContact CG2-CG 4.15Å; I1051-L1093 HydrophobicContact CD1-CB 4.17Å; I1051-L1093 HydrophobicContact CD1-CD1 4.45Å; I1051-L1093 HydrophobicContact CG1-CB 4.08Å; I1051-L1093 HydrophobicContact CG1-CD1 3.68Å; I1051-L1093 HydrophobicContact CG1-CG 4.49Å; I1051-V1096 HydrophobicContact CG2-CB 4.2Å; I1051-V1096 HydrophobicContact CG2-CG1 4.15Å; I1051-V1096 HydrophobicContact CG2-CG2 4.22Å |
| 1052 | E | 79.9 | Confident | 74.7 | Confident | 31 Ų | 31 | 20.1 Ų | 20.1 | 15% | 0.145 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.2 | -37.6 | -179 | -62.6 | -59.2 | 148.2 | 0 | 0 | 111.8 | F990 A991 N994 L1048 C1049 S1054 V1055 R1092 | F990-E1052 HydrophobicContact CB-CB 3.77Å; A991-E1052 HydrophobicContact CB-CG 4.19Å; N994-E1052 PolarHBondContact ND2-O 3.46Å; N994-E1052 PolarHBondContact ND2-OE2 2.76Å; L1048-E1052 PolarHBondContact O-N 2.97Å; L1048-E1052 VanDerWaalsContact O-N 3.07Å; C1049-E1052 PolarHBondContact O-N 3.38Å; E1052-S1054 VanDerWaalsContact C-N 3.34Å; E1052-S1054 PolarHBondContact O-N 3.27Å; E1052-V1055 PolarHBondContact O-N 3.32Å; E1052-R1092 IonicContact OE1-CZ 4Å; E1052-R1092 IonicContact OE1-NH2 2.76Å; E1052-R1092 PolarHBondContact OE1-NH2 2.91Å |
| 1053 | L | 76.3 | Confident | 74 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.1 | -171.2 | 83.4 | 0 | 0 | 0 | 112.1 | F990 A1022 V1026 C1049 F1050 V1055 M1056 F1057 L1061 | F990-L1053 HydrophobicContact CD1-CD1 4.4Å; F990-L1053 HydrophobicContact CD2-CB 4.34Å; F990-L1053 HydrophobicContact CD2-CD1 4.14Å; F990-L1053 HydrophobicContact CE1-CD1 3.83Å; F990-L1053 HydrophobicContact CE2-CB 4.35Å; F990-L1053 HydrophobicContact CE2-CD1 3.51Å; F990-L1053 HydrophobicContact CZ-CD1 3.36Å; A1022-L1053 HydrophobicContact CB-CD1 4.39Å; V1026-L1053 HydrophobicContact CG2-CD2 3.77Å; C1049-L1053 VanDerWaalsContact O-CB 3.26Å; C1049-L1053 WeakPolarHBondContact O-CB 3.24Å; C1049-L1053 PolarHBondContact O-N 3.39Å; F1050-L1053 HydrophobicContact CD1-CD2 4.21Å; F1050-L1053 PolarHBondContact O-N 2.89Å; L1053-V1055 PolarHBondContact O-N 3.39Å; L1053-M1056 PolarHBondContact O-N 3.14Å; L1053-F1057 HydrophobicContact CD1-CD2 4.37Å; L1053-F1057 PolarHBondContact O-N 3.43Å; L1053-L1061 HydrophobicContact CB-CD1 4.15Å; L1053-L1061 HydrophobicContact CD2-CD1 3.72Å; L1053-L1061 HydrophobicContact CD2-CG 4.08Å; L1053-L1061 HydrophobicContact CG-CD1 4.1Å |
| 1054 | S | 72.2 | Confident | 73.2 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -29.5 | -176.8 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | F1050 I1051 E1052 L1061 A1100 | F1050-S1054 VanDerWaalsContact O-CB 3.25Å; F1050-S1054 WeakPolarHBondContact O-CB 3.15Å; F1050-S1054 PolarHBondContact O-N 3.32Å; F1050-S1054 PolarHBondContact O-OG 3.1Å; I1051-S1054 PolarHBondContact O-N 3.45Å; I1051-S1054 PolarHBondContact O-OG 2.78Å; E1052-S1054 VanDerWaalsContact C-N 3.34Å; E1052-S1054 PolarHBondContact O-N 3.27Å; S1054-L1061 VanDerWaalsContact CA-CD1 3.49Å; S1054-A1100 WeakPolarHBondContact O-CB 3.47Å |
| 1055 | V | 69.4 | Low | 72.5 | Confident | 60 Ų | 60 | 29.6 Ų | 29.6 | 36% | 0.364 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.3 | -35.4 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | N994 E1052 L1053 V1096 | N994-V1055 HydrophobicContact CB-CG1 4.48Å; N994-V1055 VanDerWaalsContact OD1-CB 3.3Å; N994-V1055 WeakPolarHBondContact OD1-CB 3.17Å; N994-V1055 WeakPolarHBondContact OD1-CG1 3.44Å; E1052-V1055 PolarHBondContact O-N 3.32Å; L1053-V1055 PolarHBondContact O-N 3.39Å; V1055-V1096 HydrophobicContact CG2-CG1 3.3Å |
| 1056 | M | 64.1 | Low | 71.4 | Confident | 26 Ų | 26 | 31.8 Ų | 31.8 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.6 | -47.3 | -178.8 | -74.5 | -65.5 | -80.7 | 0 | 0 | 113 | N994 K997 L1053 | N994-M1056 WeakPolarHBondContact OD1-CG 3.35Å; N994-M1056 PolarHBondContact OD1-SD 3.15Å; K997-M1056 HydrophobicContact CD-SD 3.72Å; K997-M1056 HydrophobicContact CG-SD 4.46Å; K997-M1056 PolarHBondContact NZ-O 3.37Å; L1053-M1056 PolarHBondContact O-N 3.14Å |
| 1057 | F | 67.8 | Low | 70.5 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 7% | 0.066 | 19% | 0.189 | C | C | . | . | trans | -140.6 | 67 | -167 | -53.9 | -71.5 | 0 | 0 | 0 | 112.3 | L1019 A1022 L1053 S1059 A1060 | L1019-F1057 HydrophobicContact CD2-CD1 4.41Å; L1019-F1057 HydrophobicContact CG-CD1 3.95Å; L1019-F1057 HydrophobicContact CG-CE1 4.2Å; A1022-F1057 HydrophobicContact CB-CD1 4.49Å; A1022-F1057 HydrophobicContact CB-CD2 3.3Å; A1022-F1057 HydrophobicContact CB-CE2 3.43Å; A1022-F1057 VanDerWaalsContact CB-CE2 3.43Å; A1022-F1057 HydrophobicContact CB-CG 3.88Å; A1022-F1057 HydrophobicContact CB-CZ 4.11Å; L1053-F1057 HydrophobicContact CD1-CD2 4.37Å; L1053-F1057 PolarHBondContact O-N 3.43Å; F1057-S1059 VanDerWaalsContact C-N 3.28Å; F1057-S1059 PolarHBondContact O-N 3.44Å; F1057-A1060 PolarHBondContact O-N 3.5Å | ||
| 1058 | P | 66.8 | Low | 69.9 | Low | 24 Ų | 24 | 33.2 Ų | 33.2 | 16% | 0.156 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -34.3 | -175.1 | 22.7 | -33.3 | 0 | 0 | 0 | 113.5 | A1060 L1061 C1062 A1100 L1101 A1104 | P1058-A1060 VanDerWaalsContact C-N 3.31Å; P1058-A1060 PolarHBondContact O-N 2.97Å; P1058-L1061 PolarHBondContact O-N 3.47Å; P1058-L1061 VanDerWaalsContact O-N 3.14Å; P1058-C1062 PolarHBondContact O-N 3.42Å; P1058-A1100 HydrophobicContact CB-CB 4.09Å; P1058-A1100 WeakPolarHBondContact CB-O 3.27Å; P1058-L1101 HydrophobicContact CB-CD2 4.23Å; P1058-L1101 VanDerWaalsContact O-CD2 3.23Å; P1058-L1101 WeakPolarHBondContact O-CD2 3.34Å; P1058-A1104 HydrophobicContact CB-CB 4.11Å; P1058-A1104 HydrophobicContact CG-CB 3.74Å |
| 1059 | S | 65.7 | Low | 69 | Low | 69 Ų | 69 | 32.8 Ų | 32.8 | 48% | 0.483 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.6 | -33 | -177.9 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | F1057 L1061 C1062 | F1057-S1059 VanDerWaalsContact C-N 3.28Å; F1057-S1059 PolarHBondContact O-N 3.44Å; S1059-L1061 VanDerWaalsContact C-N 3.28Å; S1059-L1061 PolarHBondContact O-N 2.75Å; S1059-C1062 PolarHBondContact O-N 2.98Å |
| 1060 | A | 66.6 | Low | 68 | Low | 14 Ų | 14 | 36.8 Ų | 36.8 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.1 | -27.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1023 V1026 F1057 P1058 | Q1023-A1060 HydrophobicContact CG-CB 3.67Å; V1026-A1060 HydrophobicContact CG2-CB 4.07Å; F1057-A1060 PolarHBondContact O-N 3.5Å; P1058-A1060 VanDerWaalsContact C-N 3.31Å; P1058-A1060 PolarHBondContact O-N 2.97Å |
| 1061 | L | 67.5 | Low | 67.4 | Low | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -83.5 | -15.8 | -179.1 | -104.1 | 151.3 | 0 | 0 | 0 | 113.2 | F1050 L1053 S1054 P1058 S1059 H1063 H1064 L1065 | F1050-L1061 HydrophobicContact CB-CD2 4.48Å; F1050-L1061 HydrophobicContact CD1-CD1 4.44Å; F1050-L1061 HydrophobicContact CD1-CD2 3.69Å; F1050-L1061 HydrophobicContact CD1-CG 4.31Å; F1050-L1061 HydrophobicContact CE1-CD2 4.23Å; F1050-L1061 HydrophobicContact CG-CD2 4.3Å; L1053-L1061 HydrophobicContact CB-CD1 4.15Å; L1053-L1061 HydrophobicContact CD2-CD1 3.72Å; L1053-L1061 HydrophobicContact CD2-CG 4.08Å; L1053-L1061 HydrophobicContact CG-CD1 4.1Å; S1054-L1061 VanDerWaalsContact CA-CD1 3.49Å; P1058-L1061 PolarHBondContact O-N 3.47Å; P1058-L1061 VanDerWaalsContact O-N 3.14Å; S1059-L1061 VanDerWaalsContact C-N 3.28Å; S1059-L1061 PolarHBondContact O-N 2.75Å; L1061-H1063 PolarHBondContact O-N 3.32Å; L1061-H1064 CarbonylContact O-C 3.59Å; L1061-H1064 PolarHBondContact O-N 3.36Å; L1061-H1064 VanDerWaalsContact O-N 3.1Å; L1061-L1065 WeakPolarHBondContact O-CB 3.47Å; L1061-L1065 PolarHBondContact O-N 2.71Å |
| 1062 | C | 62.9 | Low | 66.8 | Low | 65 Ų | 65 | 39.3 Ų | 39.3 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -53.8 | -48.1 | -175 | -69 | 0 | 0 | 0 | 0 | 113.5 | P1058 S1059 H1064 L1065 L1101 | P1058-C1062 PolarHBondContact O-N 3.42Å; S1059-C1062 PolarHBondContact O-N 2.98Å; C1062-H1064 VanDerWaalsContact C-N 3.29Å; C1062-H1064 PolarHBondContact O-N 3.03Å; C1062-L1065 PolarHBondContact O-N 2.72Å; C1062-L1101 HydrophobicContact CB-CD2 4.45Å; C1062-L1101 WeakPolarHBondContact SG-CD2 3.5Å |
| 1063 | H | 65.6 | Low | 65.7 | Low | 178 Ų | 178 | 39.3 Ų | 39.3 | 82% | 0.824 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.5 | -30.8 | -179.3 | -84 | -37 | 0 | 0 | 0 | 113.1 | L1061 | L1061-H1063 PolarHBondContact O-N 3.32Å |
| 1064 | H | 64.4 | Low | 64.7 | Low | 40 Ų | 40 | 43.2 Ų | 43.2 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -95.8 | -12.2 | -177.9 | -65.5 | 93.6 | 0 | 0 | 0 | 113.4 | V1026 D1027 F1030 L1061 C1062 V1066 S1067 L1068 | V1026-H1064 HydrophobicContact CG1-CB 4.43Å; D1027-H1064 IonicContact OD1-CE1 3.85Å; D1027-H1064 PolarHBondContact OD1-CE1 3.26Å; D1027-H1064 IonicContact OD1-NE2 2.8Å; D1027-H1064 PolarHBondContact OD1-NE2 3Å; F1030-H1064 HydrophobicContact CD2-CB 4.48Å; F1030-H1064 AromaticContact CG-CD2 3.96Å; L1061-H1064 CarbonylContact O-C 3.59Å; L1061-H1064 PolarHBondContact O-N 3.36Å; L1061-H1064 VanDerWaalsContact O-N 3.1Å; C1062-H1064 VanDerWaalsContact C-N 3.29Å; C1062-H1064 PolarHBondContact O-N 3.03Å; H1064-V1066 PolarHBondContact O-N 2.88Å; H1064-S1067 WeakPolarHBondContact CA-OG 3.39Å; H1064-S1067 PolarHBondContact O-N 3.14Å; H1064-S1067 PolarHBondContact O-OG 3.41Å; H1064-L1068 WeakPolarHBondContact O-CB 3.34Å; H1064-L1068 PolarHBondContact O-N 2.86Å |
| 1065 | L | 65.2 | Low | 64.2 | Low | 18 Ų | 18 | 44.3 Ų | 44.3 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | -176.3 | -170.2 | 98.5 | 0 | 0 | 0 | 111.2 | L1061 C1062 L1068 V1069 T1097 L1101 | L1061-L1065 WeakPolarHBondContact O-CB 3.47Å; L1061-L1065 PolarHBondContact O-N 2.71Å; C1062-L1065 PolarHBondContact O-N 2.72Å; L1065-L1068 PolarHBondContact O-N 3.18Å; L1065-V1069 HydrophobicContact CG-CG2 4.28Å; L1065-V1069 WeakPolarHBondContact O-CB 3.36Å; L1065-V1069 VanDerWaalsContact O-CG2 3.26Å; L1065-V1069 WeakPolarHBondContact O-CG2 3.48Å; L1065-V1069 PolarHBondContact O-N 3.43Å; L1065-T1097 HydrophobicContact CD1-CG2 4.26Å; L1065-L1101 HydrophobicContact CB-CD1 4.2Å; L1065-L1101 HydrophobicContact CD1-CD1 3.55Å; L1065-L1101 HydrophobicContact CD2-CD1 3.33Å; L1065-L1101 HydrophobicContact CG-CD1 3.82Å |
| 1066 | V | 60.4 | Low | 63.7 | Low | 68 Ų | 68 | 50.6 Ų | 50.6 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 178.1 | 178.2 | 0 | 0 | 0 | 0 | 110 | H1064 L1068 V1069 Q1070 | H1064-V1066 PolarHBondContact O-N 2.88Å; V1066-L1068 PolarHBondContact O-N 3.23Å; V1066-V1069 PolarHBondContact O-N 2.99Å; V1066-Q1070 HydrophobicContact CG1-CG 4.4Å; V1066-Q1070 VanDerWaalsContact O-CB 3.25Å; V1066-Q1070 WeakPolarHBondContact O-CB 3.34Å; V1066-Q1070 VanDerWaalsContact O-CG 3.23Å; V1066-Q1070 WeakPolarHBondContact O-CG 3.45Å; V1066-Q1070 PolarHBondContact O-N 2.7Å |
| 1067 | S | 64.9 | Low | 63.6 | Low | 36 Ų | 36 | 53.6 Ų | 53.6 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.1 | -32.5 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | H1064 W1071 | H1064-S1067 WeakPolarHBondContact CA-OG 3.39Å; H1064-S1067 PolarHBondContact O-N 3.14Å; H1064-S1067 PolarHBondContact O-OG 3.41Å; S1067-W1071 WeakPolarHBondContact O-CB 3.17Å; S1067-W1071 PolarHBondContact O-N 3.24Å |
| 1068 | L | 66.9 | Low | 63 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.4 | -45.5 | 174.4 | -169.6 | 92.5 | 0 | 0 | 0 | 111.1 | F1030 L1033 L1047 F1050 H1064 L1065 V1066 W1071 V1072 L1093 | F1030-L1068 HydrophobicContact CD2-CD1 4.16Å; F1030-L1068 HydrophobicContact CE2-CB 4.29Å; F1030-L1068 HydrophobicContact CE2-CD1 4.11Å; L1033-L1068 HydrophobicContact CD1-CD1 3.82Å; L1047-L1068 HydrophobicContact CD2-CD1 4.39Å; L1047-L1068 HydrophobicContact CD2-CD2 4.37Å; L1047-L1068 HydrophobicContact CD2-CG 4.46Å; F1050-L1068 HydrophobicContact CD2-CD1 3.51Å; F1050-L1068 HydrophobicContact CD2-CD2 4.35Å; F1050-L1068 HydrophobicContact CE2-CD1 3.5Å; F1050-L1068 VanDerWaalsContact CE2-CD1 3.5Å; F1050-L1068 HydrophobicContact CG-CD1 4.38Å; F1050-L1068 HydrophobicContact CZ-CD1 4.37Å; H1064-L1068 WeakPolarHBondContact O-CB 3.34Å; H1064-L1068 PolarHBondContact O-N 2.86Å; L1065-L1068 PolarHBondContact O-N 3.18Å; V1066-L1068 PolarHBondContact O-N 3.23Å; L1068-W1071 PolarHBondContact O-N 2.93Å; L1068-V1072 WeakPolarHBondContact O-CB 3.42Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.35Å; L1068-V1072 PolarHBondContact O-N 3.2Å; L1068-L1093 HydrophobicContact CD2-CD1 4.02Å; L1068-L1093 HydrophobicContact CD2-CD2 3.87Å; L1068-L1093 HydrophobicContact CD2-CG 4.48Å |
| 1069 | V | 63.5 | Low | 62.4 | Low | 38 Ų | 38 | 54 Ų | 54 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.1 | L1065 V1066 V1072 A1073 F1119 | L1065-V1069 HydrophobicContact CG-CG2 4.28Å; L1065-V1069 WeakPolarHBondContact O-CB 3.36Å; L1065-V1069 VanDerWaalsContact O-CG2 3.26Å; L1065-V1069 WeakPolarHBondContact O-CG2 3.48Å; L1065-V1069 PolarHBondContact O-N 3.43Å; V1066-V1069 PolarHBondContact O-N 2.99Å; V1069-V1072 PolarHBondContact O-N 3.41Å; V1069-A1073 VanDerWaalsContact O-CB 3.22Å; V1069-A1073 WeakPolarHBondContact O-CB 3.45Å; V1069-A1073 PolarHBondContact O-N 3.44Å; V1069-F1119 HydrophobicContact CG1-CE1 4.48Å; V1069-F1119 HydrophobicContact CG1-CE2 4.43Å; V1069-F1119 HydrophobicContact CG1-CZ 3.93Å |
| 1070 | Q | 61.9 | Low | 61.7 | Low | 84 Ų | 84 | 59.8 Ų | 59.8 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 172.9 | -78.2 | 175.5 | -22.9 | 0 | 0 | 111.6 | V1066 V1072 A1073 C1074 | V1066-Q1070 HydrophobicContact CG1-CG 4.4Å; V1066-Q1070 VanDerWaalsContact O-CB 3.25Å; V1066-Q1070 WeakPolarHBondContact O-CB 3.34Å; V1066-Q1070 VanDerWaalsContact O-CG 3.23Å; V1066-Q1070 WeakPolarHBondContact O-CG 3.45Å; V1066-Q1070 PolarHBondContact O-N 2.7Å; Q1070-V1072 PolarHBondContact O-N 3.36Å; Q1070-A1073 PolarHBondContact O-N 3.21Å; Q1070-C1074 WeakPolarHBondContact O-CB 3.42Å; Q1070-C1074 PolarHBondContact O-N 3.08Å; Q1070-C1074 PolarHBondContact O-SG 2.89Å |
| 1071 | W | 65.9 | Low | 60.9 | Low | 50 Ų | 50 | 63.8 Ų | 63.8 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 179.1 | -177.3 | 91.9 | 0 | 0 | 0 | 111 | L1033 H1043 S1067 L1068 C1074 N1075 L1078 | L1033-W1071 HydrophobicContact CB-CD2 4.41Å; L1033-W1071 HydrophobicContact CB-CH2 4.27Å; L1033-W1071 HydrophobicContact CB-CZ2 3.83Å; L1033-W1071 HydrophobicContact CD1-CD2 4.18Å; L1033-W1071 HydrophobicContact CD1-CE3 3.98Å; L1033-W1071 HydrophobicContact CD1-CH2 4.48Å; L1033-W1071 HydrophobicContact CD1-CZ3 4.15Å; L1033-W1071 HydrophobicContact CD2-CH2 3.7Å; L1033-W1071 HydrophobicContact CD2-CZ2 4.13Å; L1033-W1071 HydrophobicContact CD2-CZ3 3.95Å; L1033-W1071 HydrophobicContact CG-CH2 4.37Å; L1033-W1071 HydrophobicContact CG-CZ2 4.41Å; L1033-W1071 HydrophobicContact CG-CZ3 4.5Å; H1043-W1071 HydrophobicContact CB-CH2 3.97Å; H1043-W1071 AromaticContact CD2-CH2 3.78Å; H1043-W1071 AromaticContact CE1-CH2 3.77Å; H1043-W1071 AromaticContact CE1-CZ2 3.84Å; H1043-W1071 AromaticContact CG-CH2 3.53Å; H1043-W1071 AromaticContact ND1-CH2 3.53Å; H1043-W1071 AromaticContact NE2-CH2 3.92Å; H1043-W1071 AromaticContact NE2-CZ2 3.86Å; S1067-W1071 WeakPolarHBondContact O-CB 3.17Å; S1067-W1071 PolarHBondContact O-N 3.24Å; L1068-W1071 PolarHBondContact O-N 2.93Å; W1071-C1074 PolarHBondContact O-N 3.38Å; W1071-N1075 WeakPolarHBondContact CH2-ND2 3.46Å; W1071-N1075 WeakPolarHBondContact CZ2-ND2 3.35Å; W1071-N1075 WeakPolarHBondContact O-CB 3.49Å; W1071-N1075 PolarHBondContact O-N 2.81Å; W1071-L1078 HydrophobicContact CZ3-CD2 4.27Å |
| 1072 | V | 64.7 | Low | 60 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 112 | L1047 L1068 V1069 Q1070 L1078 L1090 | L1047-V1072 HydrophobicContact CD2-CG2 3.77Å; L1068-V1072 WeakPolarHBondContact O-CB 3.42Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.35Å; L1068-V1072 PolarHBondContact O-N 3.2Å; V1069-V1072 PolarHBondContact O-N 3.41Å; Q1070-V1072 PolarHBondContact O-N 3.36Å; V1072-L1078 HydrophobicContact CB-CD2 4.33Å; V1072-L1078 HydrophobicContact CG1-CD2 3.85Å; V1072-L1078 HydrophobicContact CG2-CD2 4.17Å; V1072-L1090 HydrophobicContact CG1-CD1 3.52Å; V1072-L1090 HydrophobicContact CG1-CD2 4.25Å; V1072-L1090 HydrophobicContact CG1-CG 4.47Å |
| 1073 | A | 56.5 | Low | 60 | Low | 32 Ų | 32 | 69.9 Ų | 69.9 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1069 Q1070 F1126 | V1069-A1073 VanDerWaalsContact O-CB 3.22Å; V1069-A1073 WeakPolarHBondContact O-CB 3.45Å; V1069-A1073 PolarHBondContact O-N 3.44Å; Q1070-A1073 PolarHBondContact O-N 3.21Å; A1073-F1126 HydrophobicContact CB-CE1 3.74Å; A1073-F1126 HydrophobicContact CB-CZ 4.23Å |
| 1074 | C | 55.5 | Low | 59.9 | Low | 83 Ų | 83 | 65.3 Ų | 65.3 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -85.4 | -17.9 | -176.8 | -65.3 | 0 | 0 | 0 | 0 | 113.9 | Q1070 W1071 R1076 | Q1070-C1074 WeakPolarHBondContact O-CB 3.42Å; Q1070-C1074 PolarHBondContact O-N 3.08Å; Q1070-C1074 PolarHBondContact O-SG 2.89Å; W1071-C1074 PolarHBondContact O-N 3.38Å; C1074-R1076 PolarHBondContact O-N 3.45Å |
| 1075 | N | 62.7 | Low | 59.9 | Low | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | trans | -70.5 | 94.1 | 179.7 | -172.4 | -17.7 | 0 | 0 | 0 | 110.2 | W1071 Q1077 L1078 M1079 | W1071-N1075 WeakPolarHBondContact CH2-ND2 3.46Å; W1071-N1075 WeakPolarHBondContact CZ2-ND2 3.35Å; W1071-N1075 WeakPolarHBondContact O-CB 3.49Å; W1071-N1075 PolarHBondContact O-N 2.81Å; N1075-Q1077 PolarHBondContact O-N 3.39Å; N1075-Q1077 VanDerWaalsContact O-N 3.16Å; N1075-Q1077 PolarHBondContact OD1-N 2.89Å; N1075-Q1077 VanDerWaalsContact OD1-N 3.11Å; N1075-L1078 HydrophobicContact CB-CB 4.06Å; N1075-L1078 PolarHBondContact O-N 3.3Å; N1075-L1078 PolarHBondContact OD1-N 3.17Å; N1075-M1079 PolarHBondContact O-N 3.34Å | ||
| 1076 | R | 58.2 | Low | 59.9 | Low | 192 Ų | 192 | 68.1 Ų | 68.1 | 73% | 0.725 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -55.2 | -31.1 | -179.5 | -71.5 | -176.7 | 178 | -177.5 | -0.7 | 112.7 | C1074 R1080 | C1074-R1076 PolarHBondContact O-N 3.45Å; R1076-R1080 WeakPolarHBondContact O-CB 3.27Å; R1076-R1080 VanDerWaalsContact O-CG 3.26Å; R1076-R1080 WeakPolarHBondContact O-CG 3.44Å; R1076-R1080 PolarHBondContact O-N 3.14Å |
| 1077 | Q | 61.6 | Low | 60.2 | Low | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.4 | -47.2 | 179.4 | -66 | 179.8 | -7.1 | 0 | 0 | 111.3 | P1037 M1040 N1075 M1079 R1080 | P1037-Q1077 PolarHBondContact O-OE1 3.21Å; M1040-Q1077 WeakPolarHBondContact CE-O 3.32Å; N1075-Q1077 PolarHBondContact O-N 3.39Å; N1075-Q1077 VanDerWaalsContact O-N 3.16Å; N1075-Q1077 PolarHBondContact OD1-N 2.89Å; N1075-Q1077 VanDerWaalsContact OD1-N 3.11Å; Q1077-M1079 VanDerWaalsContact C-N 3.32Å; Q1077-M1079 PolarHBondContact O-N 2.96Å; Q1077-R1080 PolarHBondContact O-N 2.93Å |
| 1078 | L | 56.5 | Low | 60.4 | Low | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 176.6 | -172.8 | 69.7 | 0 | 0 | 0 | 111.7 | M1040 L1047 W1071 V1072 N1075 | M1040-L1078 HydrophobicContact CE-CD1 4.48Å; M1040-L1078 HydrophobicContact SD-CB 4.41Å; M1040-L1078 HydrophobicContact SD-CD1 3.42Å; M1040-L1078 WeakPolarHBondContact SD-CD1 3.44Å; M1040-L1078 HydrophobicContact SD-CG 4.49Å; L1047-L1078 HydrophobicContact CD1-CD2 4.24Å; W1071-L1078 HydrophobicContact CZ3-CD2 4.27Å; V1072-L1078 HydrophobicContact CB-CD2 4.33Å; V1072-L1078 HydrophobicContact CG1-CD2 3.85Å; V1072-L1078 HydrophobicContact CG2-CD2 4.17Å; N1075-L1078 HydrophobicContact CB-CB 4.06Å; N1075-L1078 PolarHBondContact O-N 3.3Å; N1075-L1078 PolarHBondContact OD1-N 3.17Å |
| 1079 | M | 52.8 | Low | 60.4 | Low | 33 Ų | 33 | 69.2 Ų | 69.2 | 16% | 0.163 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.6 | -52.8 | 175.4 | -76.1 | -68.6 | -169.8 | 0 | 0 | 111.5 | N1075 Q1077 L1081 L1090 R1133 L1137 | N1075-M1079 PolarHBondContact O-N 3.34Å; Q1077-M1079 VanDerWaalsContact C-N 3.32Å; Q1077-M1079 PolarHBondContact O-N 2.96Å; M1079-L1081 VanDerWaalsContact C-N 3.3Å; M1079-L1081 PolarHBondContact O-N 3.26Å; M1079-L1090 HydrophobicContact CE-CD2 4.07Å; M1079-R1133 VanDerWaalsContact O-CZ 3.27Å; M1079-R1133 PolarHBondContact O-NH1 3.45Å; M1079-L1137 HydrophobicContact CE-CD1 4.11Å |
| 1080 | R | 52.8 | Low | 60.7 | Low | 192 Ų | 192 | 68.4 Ų | 68.4 | 73% | 0.725 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -52.5 | -38.6 | -170.5 | -87.1 | -179.2 | 172.6 | 169.8 | -2.9 | 115.2 | R1076 Q1077 D1082 R1133 | R1076-R1080 WeakPolarHBondContact O-CB 3.27Å; R1076-R1080 VanDerWaalsContact O-CG 3.26Å; R1076-R1080 WeakPolarHBondContact O-CG 3.44Å; R1076-R1080 PolarHBondContact O-N 3.14Å; Q1077-R1080 PolarHBondContact O-N 2.93Å; R1080-D1082 PolarHBondContact O-N 3.05Å; R1080-R1133 PolarHBondContact O-NH2 3Å; R1080-R1133 VanDerWaalsContact O-NH2 3.14Å |
| 1081 | L | 49.4 | Very low | 61.2 | Low | 98 Ų | 98 | 65 Ų | 65 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -78.9 | 108.3 | -178.2 | -69.9 | 163.1 | 0 | 0 | 0 | 111.4 | M1040 M1079 N1083 | M1040-L1081 HydrophobicContact CE-CD1 3.71Å; M1079-L1081 VanDerWaalsContact C-N 3.3Å; M1079-L1081 PolarHBondContact O-N 3.26Å; L1081-N1083 PolarHBondContact O-N 3.13Å |
| 1082 | D | 48.2 | Very low | 61.7 | Low | 111 Ų | 111 | 68.3 Ų | 68.3 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | trans | -67.6 | 45.2 | -177 | -118.2 | -27 | 0 | 0 | 0 | 114.6 | R1080 A1084 R1133 | R1080-D1082 PolarHBondContact O-N 3.05Å; D1082-A1084 PolarHBondContact O-N 3.17Å; D1082-R1133 IonicContact OD1-CZ 3.16Å; D1082-R1133 IonicContact OD1-NE 3.42Å; D1082-R1133 PolarHBondContact OD1-NE 3.23Å; D1082-R1133 IonicContact OD1-NH2 2.71Å; D1082-R1133 PolarHBondContact OD1-NH2 2.82Å; D1082-R1133 IonicContact OD2-CZ 3.51Å; D1082-R1133 IonicContact OD2-NE 3.57Å; D1082-R1133 IonicContact OD2-NH2 2.72Å; D1082-R1133 PolarHBondContact OD2-NH2 3.04Å | ||
| 1083 | N | 61.7 | Low | 62 | Low | 84 Ų | 84 | 68.2 Ų | 68.2 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -83.2 | 116.7 | 179.8 | -69 | -12.5 | 0 | 0 | 0 | 109.2 | L1081 H1085 N1086 L1087 | L1081-N1083 PolarHBondContact O-N 3.13Å; N1083-H1085 PolarHBondContact O-N 2.86Å; N1083-N1086 PolarHBondContact O-N 3.39Å; N1083-L1087 PolarHBondContact O-N 2.98Å | ||
| 1084 | A | 63.6 | Low | 62.9 | Low | 81 Ų | 81 | 66.9 Ų | 66.9 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -49.1 | -28.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1082 S1088 | D1082-A1084 PolarHBondContact O-N 3.17Å; A1084-S1088 WeakPolarHBondContact O-CB 3.3Å; A1084-S1088 PolarHBondContact O-N 3.26Å |
| 1085 | H | 64.9 | Low | 63.8 | Low | 102 Ų | 102 | 65.4 Ų | 65.4 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 173.1 | -170.7 | 57.9 | 0 | 0 | 0 | 113.5 | N1083 L1087 S1088 I1089 | N1083-H1085 PolarHBondContact O-N 2.86Å; H1085-L1087 PolarHBondContact O-N 2.72Å; H1085-S1088 WeakPolarHBondContact O-CB 3.37Å; H1085-S1088 PolarHBondContact O-N 3.49Å; H1085-S1088 VanDerWaalsContact O-N 3.1Å; H1085-S1088 PolarHBondContact O-OG 3.18Å; H1085-I1089 VanDerWaalsContact NE2-CD1 3.29Å; H1085-I1089 WeakPolarHBondContact NE2-CD1 3.03Å; H1085-I1089 WeakPolarHBondContact O-CG1 3.41Å; H1085-I1089 PolarHBondContact O-N 3.47Å |
| 1086 | N | 65.8 | Low | 64.4 | Low | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.08 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 178.5 | -73.1 | -7.4 | 0 | 0 | 0 | 111.1 | Q1044 N1083 S1088 I1089 L1090 | Q1044-N1086 PolarHBondContact NE2-OD1 3.45Å; N1083-N1086 PolarHBondContact O-N 3.39Å; N1086-S1088 VanDerWaalsContact C-N 3.29Å; N1086-S1088 PolarHBondContact O-N 3Å; N1086-I1089 PolarHBondContact O-N 2.92Å; N1086-L1090 VanDerWaalsContact O-CB 3.29Å; N1086-L1090 WeakPolarHBondContact O-CB 3.32Å; N1086-L1090 PolarHBondContact O-N 3.27Å |
| 1087 | L | 66 | Low | 65 | Low | 54 Ų | 54 | 57 Ų | 57 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 173.3 | -84.7 | 150.5 | 0 | 0 | 0 | 111.9 | N1083 H1085 G1091 R1133 A1136 | N1083-L1087 PolarHBondContact O-N 2.98Å; H1085-L1087 PolarHBondContact O-N 2.72Å; L1087-G1091 PolarHBondContact O-N 3.1Å; L1087-R1133 HydrophobicContact CD1-CG 4.3Å; L1087-R1133 HydrophobicContact CD2-CB 4.25Å; L1087-R1133 HydrophobicContact CD2-CG 4.33Å; L1087-A1136 HydrophobicContact CD2-CB 4.18Å |
| 1088 | S | 69.2 | Low | 65.6 | Low | 67 Ų | 67 | 52.9 Ų | 52.9 | 47% | 0.469 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 176.2 | 84.3 | 0 | 0 | 0 | 0 | 112.9 | A1084 H1085 N1086 G1091 R1092 | A1084-S1088 WeakPolarHBondContact O-CB 3.3Å; A1084-S1088 PolarHBondContact O-N 3.26Å; H1085-S1088 WeakPolarHBondContact O-CB 3.37Å; H1085-S1088 PolarHBondContact O-N 3.49Å; H1085-S1088 VanDerWaalsContact O-N 3.1Å; H1085-S1088 PolarHBondContact O-OG 3.18Å; N1086-S1088 VanDerWaalsContact C-N 3.29Å; N1086-S1088 PolarHBondContact O-N 3Å; S1088-G1091 PolarHBondContact O-N 3.3Å; S1088-R1092 VanDerWaalsContact O-CB 3.27Å; S1088-R1092 WeakPolarHBondContact O-CB 3.39Å; S1088-R1092 PolarHBondContact O-N 2.94Å |
| 1089 | I | 68.1 | Low | 66.5 | Low | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 176.3 | -69.7 | 168.6 | 0 | 0 | 0 | 109.2 | Q1044 L1047 I1051 H1085 N1086 G1091 R1092 L1093 | Q1044-I1089 HydrophobicContact CB-CD1 4.16Å; Q1044-I1089 HydrophobicContact CG-CD1 4.1Å; L1047-I1089 HydrophobicContact CB-CG2 3.9Å; L1047-I1089 HydrophobicContact CD1-CG2 4.28Å; I1051-I1089 HydrophobicContact CD1-CG2 4.18Å; H1085-I1089 VanDerWaalsContact NE2-CD1 3.29Å; H1085-I1089 WeakPolarHBondContact NE2-CD1 3.03Å; H1085-I1089 WeakPolarHBondContact O-CG1 3.41Å; H1085-I1089 PolarHBondContact O-N 3.47Å; N1086-I1089 PolarHBondContact O-N 2.92Å; I1089-G1091 VanDerWaalsContact C-N 3.33Å; I1089-G1091 PolarHBondContact O-N 3.41Å; I1089-R1092 CarbonylContact O-C 3.57Å; I1089-R1092 PolarHBondContact O-N 3.44Å; I1089-L1093 WeakPolarHBondContact O-CB 3.34Å; I1089-L1093 PolarHBondContact O-N 3.3Å |
| 1090 | L | 68.7 | Low | 67.3 | Low | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 175.6 | -177.9 | 54.4 | 0 | 0 | 0 | 111.4 | V1072 M1079 N1086 L1093 I1094 L1137 | V1072-L1090 HydrophobicContact CG1-CD1 3.52Å; V1072-L1090 HydrophobicContact CG1-CD2 4.25Å; V1072-L1090 HydrophobicContact CG1-CG 4.47Å; M1079-L1090 HydrophobicContact CE-CD2 4.07Å; N1086-L1090 VanDerWaalsContact O-CB 3.29Å; N1086-L1090 WeakPolarHBondContact O-CB 3.32Å; N1086-L1090 PolarHBondContact O-N 3.27Å; L1090-L1093 HydrophobicContact CD1-CD2 4.33Å; L1090-L1093 WeakPolarHBondContact O-CB 3.41Å; L1090-L1093 PolarHBondContact O-N 2.83Å; L1090-I1094 HydrophobicContact CD1-CD1 4.26Å; L1090-I1094 HydrophobicContact CG-CD1 4.43Å; L1090-I1094 PolarHBondContact O-N 3.42Å; L1090-L1137 HydrophobicContact CD1-CD2 4.44Å; L1090-L1137 HydrophobicContact CD2-CD1 3.94Å; L1090-L1137 HydrophobicContact CD2-CD2 3.83Å; L1090-L1137 HydrophobicContact CD2-CG 3.92Å; L1090-L1137 HydrophobicContact CG-CD2 3.96Å; L1090-L1137 HydrophobicContact CG-CG 4.48Å |
| 1091 | G | 72.3 | Confident | 68.1 | Low | 12 Ų | 12 | 43.5 Ų | 43.5 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1087 S1088 I1089 L1093 I1094 L1095 V1140 | L1087-G1091 PolarHBondContact O-N 3.1Å; S1088-G1091 PolarHBondContact O-N 3.3Å; I1089-G1091 VanDerWaalsContact C-N 3.33Å; I1089-G1091 PolarHBondContact O-N 3.41Å; G1091-L1093 VanDerWaalsContact C-N 3.34Å; G1091-L1093 PolarHBondContact O-N 2.87Å; G1091-I1094 PolarHBondContact O-N 3.25Å; G1091-L1095 WeakPolarHBondContact O-CB 3.47Å; G1091-L1095 PolarHBondContact O-N 3.27Å; G1091-V1140 WeakPolarHBondContact O-CG1 3.49Å |
| 1092 | R | 76 | Confident | 69.1 | Low | 120 Ų | 120 | 39 Ų | 39 | 45% | 0.453 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.6 | -37.4 | 177.4 | -173.8 | 176.4 | 171.9 | 175.1 | -7.3 | 112.1 | I1051 E1052 S1088 I1089 L1095 V1096 | I1051-R1092 HydrophobicContact CD1-CB 4.16Å; I1051-R1092 HydrophobicContact CD1-CG 4.07Å; I1051-R1092 HydrophobicContact CG2-CG 4.15Å; E1052-R1092 IonicContact OE1-CZ 4Å; E1052-R1092 IonicContact OE1-NH2 2.76Å; E1052-R1092 PolarHBondContact OE1-NH2 2.91Å; S1088-R1092 VanDerWaalsContact O-CB 3.27Å; S1088-R1092 WeakPolarHBondContact O-CB 3.39Å; S1088-R1092 PolarHBondContact O-N 2.94Å; I1089-R1092 CarbonylContact O-C 3.57Å; I1089-R1092 PolarHBondContact O-N 3.44Å; R1092-L1095 PolarHBondContact O-N 2.99Å; R1092-V1096 HydrophobicContact CG-CG2 4.03Å; R1092-V1096 VanDerWaalsContact O-CB 3.26Å; R1092-V1096 WeakPolarHBondContact O-CB 3.49Å; R1092-V1096 WeakPolarHBondContact O-CG2 3.47Å; R1092-V1096 PolarHBondContact O-N 3.21Å |
| 1093 | L | 72.6 | Confident | 70.2 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.3 | -58.5 | 173.1 | -174.8 | 77.5 | 0 | 0 | 0 | 109.5 | L1047 F1050 I1051 L1068 I1089 L1090 G1091 L1095 V1096 T1097 | L1047-L1093 HydrophobicContact CD2-CD2 4.08Å; F1050-L1093 HydrophobicContact CB-CD1 4.44Å; I1051-L1093 HydrophobicContact CD1-CB 4.17Å; I1051-L1093 HydrophobicContact CD1-CD1 4.45Å; I1051-L1093 HydrophobicContact CG1-CB 4.08Å; I1051-L1093 HydrophobicContact CG1-CD1 3.68Å; I1051-L1093 HydrophobicContact CG1-CG 4.49Å; L1068-L1093 HydrophobicContact CD2-CD1 4.02Å; L1068-L1093 HydrophobicContact CD2-CD2 3.87Å; L1068-L1093 HydrophobicContact CD2-CG 4.48Å; I1089-L1093 WeakPolarHBondContact O-CB 3.34Å; I1089-L1093 PolarHBondContact O-N 3.3Å; L1090-L1093 HydrophobicContact CD1-CD2 4.33Å; L1090-L1093 WeakPolarHBondContact O-CB 3.41Å; L1090-L1093 PolarHBondContact O-N 2.83Å; G1091-L1093 VanDerWaalsContact C-N 3.34Å; G1091-L1093 PolarHBondContact O-N 2.87Å; L1093-L1095 PolarHBondContact O-N 3.37Å; L1093-V1096 PolarHBondContact O-N 3.04Å; L1093-T1097 HydrophobicContact CD1-CG2 3.6Å; L1093-T1097 HydrophobicContact CG-CG2 3.99Å; L1093-T1097 WeakPolarHBondContact O-CB 3.24Å; L1093-T1097 VanDerWaalsContact O-CG2 3.25Å; L1093-T1097 WeakPolarHBondContact O-CG2 3.39Å; L1093-T1097 PolarHBondContact O-N 3.48Å; L1093-T1097 PolarHBondContact O-OG1 2.96Å |
| 1094 | I | 73.8 | Confident | 70.5 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | -178.7 | -68 | 165.5 | 0 | 0 | 0 | 111.8 | L1090 G1091 V1096 V1098 P1099 F1119 L1137 V1140 L1141 | L1090-I1094 HydrophobicContact CD1-CD1 4.26Å; L1090-I1094 HydrophobicContact CG-CD1 4.43Å; L1090-I1094 PolarHBondContact O-N 3.42Å; G1091-I1094 PolarHBondContact O-N 3.25Å; I1094-V1096 PolarHBondContact O-N 2.71Å; I1094-V1098 HydrophobicContact CG2-CG2 4.14Å; I1094-V1098 WeakPolarHBondContact O-CB 3.3Å; I1094-V1098 PolarHBondContact O-N 2.9Å; I1094-P1099 VanDerWaalsContact O-CD 3.25Å; I1094-P1099 WeakPolarHBondContact O-CD 3.3Å; I1094-F1119 HydrophobicContact CD1-CE1 4.4Å; I1094-F1119 HydrophobicContact CD1-CZ 4.33Å; I1094-L1137 HydrophobicContact CD1-CD2 3.13Å; I1094-V1140 HydrophobicContact CB-CG1 4.22Å; I1094-V1140 HydrophobicContact CG2-CG1 4.24Å; I1094-L1141 HydrophobicContact CG2-CB 4.18Å; I1094-L1141 HydrophobicContact CG2-CD1 4Å |
| 1095 | L | 75.5 | Confident | 70.6 | Confident | 52 Ų | 52 | 37 Ų | 37 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.9 | -17.8 | -179.7 | -159.2 | 89.7 | 0 | 0 | 0 | 113.2 | G1091 R1092 L1093 P1099 V1140 R1143 | G1091-L1095 WeakPolarHBondContact O-CB 3.47Å; G1091-L1095 PolarHBondContact O-N 3.27Å; R1092-L1095 PolarHBondContact O-N 2.99Å; L1093-L1095 PolarHBondContact O-N 3.37Å; L1095-P1099 WeakPolarHBondContact O-CD 3.21Å; L1095-P1099 VanDerWaalsContact O-CG 3.22Å; L1095-P1099 WeakPolarHBondContact O-CG 3.26Å; L1095-V1140 HydrophobicContact CB-CG1 4.08Å; L1095-V1140 HydrophobicContact CD1-CG1 4.1Å; L1095-R1143 HydrophobicContact CD1-CB 3.77Å |
| 1096 | V | 74 | Confident | 70.5 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -107.9 | -46.8 | -179.4 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | I1051 V1055 R1092 L1093 I1094 A1100 | I1051-V1096 HydrophobicContact CG2-CB 4.2Å; I1051-V1096 HydrophobicContact CG2-CG1 4.15Å; I1051-V1096 HydrophobicContact CG2-CG2 4.22Å; V1055-V1096 HydrophobicContact CG2-CG1 3.3Å; R1092-V1096 HydrophobicContact CG-CG2 4.03Å; R1092-V1096 VanDerWaalsContact O-CB 3.26Å; R1092-V1096 WeakPolarHBondContact O-CB 3.49Å; R1092-V1096 WeakPolarHBondContact O-CG2 3.47Å; R1092-V1096 PolarHBondContact O-N 3.21Å; L1093-V1096 PolarHBondContact O-N 3.04Å; I1094-V1096 PolarHBondContact O-N 2.71Å; V1096-A1100 VanDerWaalsContact O-CB 3.3Å; V1096-A1100 WeakPolarHBondContact O-CB 3.44Å; V1096-A1100 PolarHBondContact O-N 2.87Å; V1096-A1100 VanDerWaalsContact O-N 3.11Å |
| 1097 | T | 71.3 | Confident | 70.8 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.1 | -49.5 | -175 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | L1065 L1093 A1100 L1101 | L1065-T1097 HydrophobicContact CD1-CG2 4.26Å; L1093-T1097 HydrophobicContact CD1-CG2 3.6Å; L1093-T1097 HydrophobicContact CG-CG2 3.99Å; L1093-T1097 WeakPolarHBondContact O-CB 3.24Å; L1093-T1097 VanDerWaalsContact O-CG2 3.25Å; L1093-T1097 WeakPolarHBondContact O-CG2 3.39Å; L1093-T1097 PolarHBondContact O-N 3.48Å; L1093-T1097 PolarHBondContact O-OG1 2.96Å; T1097-A1100 PolarHBondContact O-N 2.99Å; T1097-A1100 VanDerWaalsContact O-N 3.15Å; T1097-L1101 WeakPolarHBondContact O-CB 3.32Å; T1097-L1101 VanDerWaalsContact O-CG 3.26Å; T1097-L1101 WeakPolarHBondContact O-CG 3.35Å; T1097-L1101 PolarHBondContact O-N 2.76Å |
| 1098 | V | 74.5 | Confident | 71.2 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | -178.2 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | I1094 A1100 L1101 I1102 V1115 L1141 L1145 | I1094-V1098 HydrophobicContact CG2-CG2 4.14Å; I1094-V1098 WeakPolarHBondContact O-CB 3.3Å; I1094-V1098 PolarHBondContact O-N 2.9Å; V1098-A1100 PolarHBondContact O-N 3.36Å; V1098-L1101 PolarHBondContact O-N 3.42Å; V1098-I1102 HydrophobicContact CG1-CD1 3.54Å; V1098-I1102 HydrophobicContact CG1-CG1 4.3Å; V1098-I1102 WeakPolarHBondContact O-CB 3.38Å; V1098-I1102 VanDerWaalsContact O-CG1 3.28Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.29Å; V1098-I1102 PolarHBondContact O-N 3.02Å; V1098-V1115 HydrophobicContact CG1-CG1 4.08Å; V1098-V1115 HydrophobicContact CG2-CG1 4.35Å; V1098-L1141 HydrophobicContact CG1-CD1 4.45Å; V1098-L1141 HydrophobicContact CG2-CD1 4.41Å; V1098-L1145 HydrophobicContact CG1-CD2 3.77Å |
| 1099 | P | 76 | Confident | 71.3 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.1 | -42.4 | 171.7 | -37.6 | 46.3 | 0 | 0 | 0 | 115.6 | I1094 L1095 L1101 R1103 G1144 V1148 | I1094-P1099 VanDerWaalsContact O-CD 3.25Å; I1094-P1099 WeakPolarHBondContact O-CD 3.3Å; L1095-P1099 WeakPolarHBondContact O-CD 3.21Å; L1095-P1099 VanDerWaalsContact O-CG 3.22Å; L1095-P1099 WeakPolarHBondContact O-CG 3.26Å; P1099-L1101 VanDerWaalsContact C-N 3.35Å; P1099-R1103 VanDerWaalsContact O-CB 3.28Å; P1099-R1103 WeakPolarHBondContact O-CB 3.37Å; P1099-R1103 PolarHBondContact O-N 3.38Å; P1099-G1144 WeakPolarHBondContact CG-O 3.45Å; P1099-V1148 HydrophobicContact CB-CG2 3.32Å; P1099-V1148 HydrophobicContact CG-CG2 4.02Å |
| 1100 | A | 69.9 | Low | 71.2 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1054 P1058 V1096 T1097 V1098 R1103 A1104 | S1054-A1100 WeakPolarHBondContact O-CB 3.47Å; P1058-A1100 HydrophobicContact CB-CB 4.09Å; P1058-A1100 WeakPolarHBondContact CB-O 3.27Å; V1096-A1100 VanDerWaalsContact O-CB 3.3Å; V1096-A1100 WeakPolarHBondContact O-CB 3.44Å; V1096-A1100 PolarHBondContact O-N 2.87Å; V1096-A1100 VanDerWaalsContact O-N 3.11Å; T1097-A1100 PolarHBondContact O-N 2.99Å; T1097-A1100 VanDerWaalsContact O-N 3.15Å; V1098-A1100 PolarHBondContact O-N 3.36Å; A1100-R1103 PolarHBondContact O-N 3.42Å; A1100-A1104 PolarHBondContact O-N 3.2Å |
| 1101 | L | 68.6 | Low | 71.3 | Confident | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -48 | 176.4 | -73.3 | 170.9 | 0 | 0 | 0 | 112.6 | P1058 C1062 L1065 T1097 V1098 P1099 R1103 A1104 S1105 | P1058-L1101 HydrophobicContact CB-CD2 4.23Å; P1058-L1101 VanDerWaalsContact O-CD2 3.23Å; P1058-L1101 WeakPolarHBondContact O-CD2 3.34Å; C1062-L1101 HydrophobicContact CB-CD2 4.45Å; C1062-L1101 WeakPolarHBondContact SG-CD2 3.5Å; L1065-L1101 HydrophobicContact CB-CD1 4.2Å; L1065-L1101 HydrophobicContact CD1-CD1 3.55Å; L1065-L1101 HydrophobicContact CD2-CD1 3.33Å; L1065-L1101 HydrophobicContact CG-CD1 3.82Å; T1097-L1101 WeakPolarHBondContact O-CB 3.32Å; T1097-L1101 VanDerWaalsContact O-CG 3.26Å; T1097-L1101 WeakPolarHBondContact O-CG 3.35Å; T1097-L1101 PolarHBondContact O-N 2.76Å; V1098-L1101 PolarHBondContact O-N 3.42Å; P1099-L1101 VanDerWaalsContact C-N 3.35Å; L1101-R1103 PolarHBondContact O-N 3.24Å; L1101-A1104 WeakPolarHBondContact O-CA 3.4Å; L1101-A1104 WeakPolarHBondContact O-CB 3.34Å; L1101-A1104 PolarHBondContact O-N 3.25Å; L1101-S1105 PolarHBondContact O-N 3.24Å; L1101-S1105 VanDerWaalsContact O-N 3.09Å |
| 1102 | I | 71.3 | Confident | 71.5 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -34.7 | 177.4 | -68.4 | 170.7 | 0 | 0 | 0 | 110.6 | V1098 A1104 S1105 Q1108 L1145 V1148 T1149 | V1098-I1102 HydrophobicContact CG1-CD1 3.54Å; V1098-I1102 HydrophobicContact CG1-CG1 4.3Å; V1098-I1102 WeakPolarHBondContact O-CB 3.38Å; V1098-I1102 VanDerWaalsContact O-CG1 3.28Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.29Å; V1098-I1102 PolarHBondContact O-N 3.02Å; I1102-A1104 PolarHBondContact O-N 2.82Å; I1102-S1105 PolarHBondContact O-N 3.49Å; I1102-S1105 PolarHBondContact O-OG 3.23Å; I1102-Q1108 HydrophobicContact CG2-CB 3.78Å; I1102-Q1108 WeakPolarHBondContact CG2-O 3.12Å; I1102-Q1108 WeakPolarHBondContact O-CG 3.47Å; I1102-L1145 HydrophobicContact CD1-CD2 3.3Å; I1102-V1148 HydrophobicContact CB-CG1 4.31Å; I1102-V1148 HydrophobicContact CG2-CB 4.24Å; I1102-V1148 HydrophobicContact CG2-CG1 3.82Å; I1102-T1149 HydrophobicContact CG2-CG2 3.96Å |
| 1103 | R | 70.3 | Confident | 71.5 | Confident | 139 Ų | 139 | 38.9 Ų | 38.9 | 53% | 0.525 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.4 | -24.1 | 175.1 | -165.9 | 174.8 | -64.4 | 113.3 | 2.6 | 112.7 | P1099 A1100 L1101 V1148 | P1099-R1103 VanDerWaalsContact O-CB 3.28Å; P1099-R1103 WeakPolarHBondContact O-CB 3.37Å; P1099-R1103 PolarHBondContact O-N 3.38Å; A1100-R1103 PolarHBondContact O-N 3.42Å; L1101-R1103 PolarHBondContact O-N 3.24Å; R1103-V1148 HydrophobicContact CB-CG1 4.12Å |
| 1104 | A | 67.7 | Low | 71.5 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 49% | 0.488 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -85.7 | -21.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1058 A1100 L1101 I1102 | P1058-A1104 HydrophobicContact CB-CB 4.11Å; P1058-A1104 HydrophobicContact CG-CB 3.74Å; A1100-A1104 PolarHBondContact O-N 3.2Å; L1101-A1104 WeakPolarHBondContact O-CA 3.4Å; L1101-A1104 WeakPolarHBondContact O-CB 3.34Å; L1101-A1104 PolarHBondContact O-N 3.25Å; I1102-A1104 PolarHBondContact O-N 2.82Å |
| 1105 | S | 66.2 | Low | 71.7 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -73.8 | 143.3 | 174.5 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | L1101 I1102 E1107 A1111 | L1101-S1105 PolarHBondContact O-N 3.24Å; L1101-S1105 VanDerWaalsContact O-N 3.09Å; I1102-S1105 PolarHBondContact O-N 3.49Å; I1102-S1105 PolarHBondContact O-OG 3.23Å; S1105-E1107 VanDerWaalsContact C-N 3.28Å; S1105-E1107 PolarHBondContact O-N 2.59Å; S1105-E1107 PolarHBondContact OG-O 3.27Å; S1105-A1111 VanDerWaalsContact OG-CB 3.28Å; S1105-A1111 WeakPolarHBondContact OG-CB 3.49Å |
| 1106 | S | 63.8 | Low | 72 | Confident | 126 Ų | 126 | 43.3 Ų | 43.3 | 88% | 0.881 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -64.4 | -36.7 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1107 | E | 71.1 | Confident | 72.1 | Confident | 112 Ų | 112 | 42.2 Ų | 42.2 | 52% | 0.523 | 23% | 0.23 | S | C | . | . | trans | -110.2 | 102.5 | 174.1 | -65 | -176 | 179 | 0 | 0 | 109.9 | S1105 S1110 A1111 | S1105-E1107 VanDerWaalsContact C-N 3.28Å; S1105-E1107 PolarHBondContact O-N 2.59Å; S1105-E1107 PolarHBondContact OG-O 3.27Å; E1107-S1110 WeakPolarHBondContact CB-OG 3.25Å; E1107-S1110 PolarHBondContact O-OG 3Å; E1107-S1110 PolarHBondContact OE2-OG 3.22Å; E1107-A1111 VanDerWaalsContact O-CB 3.31Å; E1107-A1111 WeakPolarHBondContact O-CB 3.42Å; E1107-A1111 PolarHBondContact O-N 2.99Å | ||
| 1108 | Q | 73.3 | Confident | 72.1 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78.4 | -29.1 | -172.4 | -52.5 | -171.3 | -27.7 | 0 | 0 | 112.3 | I1102 G1112 T1149 | I1102-Q1108 HydrophobicContact CG2-CB 3.78Å; I1102-Q1108 WeakPolarHBondContact CG2-O 3.12Å; I1102-Q1108 WeakPolarHBondContact O-CG 3.47Å; Q1108-G1112 PolarHBondContact O-N 3.15Å; Q1108-G1112 VanDerWaalsContact O-N 3.13Å; Q1108-T1149 HydrophobicContact CB-CG2 3.28Å; Q1108-T1149 HydrophobicContact CG-CG2 4.4Å |
| 1109 | I | 71.7 | Confident | 72.3 | Confident | 53 Ų | 53 | 45.2 Ų | 45.2 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.9 | -49.9 | -179.3 | -59.2 | 174.4 | 0 | 0 | 0 | 110.6 | A1111 G1112 L1113 | I1109-A1111 VanDerWaalsContact C-N 3.35Å; I1109-A1111 PolarHBondContact O-N 3.01Å; I1109-G1112 PolarHBondContact O-N 3.14Å; I1109-L1113 HydrophobicContact CG2-CD1 4.15Å; I1109-L1113 WeakPolarHBondContact O-CG 3.41Å; I1109-L1113 PolarHBondContact O-N 3.48Å |
| 1110 | S | 66.5 | Low | 72.4 | Confident | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 179.1 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | E1107 L1113 Y1114 | E1107-S1110 WeakPolarHBondContact CB-OG 3.25Å; E1107-S1110 PolarHBondContact O-OG 3Å; E1107-S1110 PolarHBondContact OE2-OG 3.22Å; S1110-L1113 PolarHBondContact O-N 3.08Å; S1110-Y1114 WeakPolarHBondContact O-CB 3.3Å; S1110-Y1114 PolarHBondContact O-N 3.5Å |
| 1111 | A | 70.4 | Confident | 72.6 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1105 E1107 I1109 Y1114 V1115 | S1105-A1111 VanDerWaalsContact OG-CB 3.28Å; S1105-A1111 WeakPolarHBondContact OG-CB 3.49Å; E1107-A1111 VanDerWaalsContact O-CB 3.31Å; E1107-A1111 WeakPolarHBondContact O-CB 3.42Å; E1107-A1111 PolarHBondContact O-N 2.99Å; I1109-A1111 VanDerWaalsContact C-N 3.35Å; I1109-A1111 PolarHBondContact O-N 3.01Å; A1111-Y1114 PolarHBondContact O-N 3.24Å; A1111-V1115 WeakPolarHBondContact O-CG2 3.41Å; A1111-V1115 PolarHBondContact O-N 3.02Å |
| 1112 | G | 76.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1108 I1109 V1115 L1116 | Q1108-G1112 PolarHBondContact O-N 3.15Å; Q1108-G1112 VanDerWaalsContact O-N 3.13Å; I1109-G1112 PolarHBondContact O-N 3.14Å; G1112-V1115 PolarHBondContact O-N 3Å; G1112-L1116 PolarHBondContact O-N 3.03Å |
| 1113 | L | 76.6 | Confident | 73 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 175.3 | -74.1 | 170.8 | 0 | 0 | 0 | 111.9 | I1109 S1110 L1116 Y1117 W1200 V1203 L1324 F1327 | I1109-L1113 HydrophobicContact CG2-CD1 4.15Å; I1109-L1113 WeakPolarHBondContact O-CG 3.41Å; I1109-L1113 PolarHBondContact O-N 3.48Å; S1110-L1113 PolarHBondContact O-N 3.08Å; L1113-L1116 WeakPolarHBondContact O-CB 3.2Å; L1113-L1116 PolarHBondContact O-N 3.25Å; L1113-Y1117 PolarHBondContact O-N 3.38Å; L1113-W1200 HydrophobicContact CD2-CH2 4.41Å; L1113-W1200 HydrophobicContact CD2-CZ3 4.07Å; L1113-W1200 HydrophobicContact CG-CH2 4.44Å; L1113-V1203 HydrophobicContact CD2-CG1 3.75Å; L1113-L1324 HydrophobicContact CD1-CD1 4.46Å; L1113-L1324 HydrophobicContact CD2-CD1 4.04Å; L1113-F1327 HydrophobicContact CB-CD1 4.01Å; L1113-F1327 HydrophobicContact CB-CD2 4.08Å; L1113-F1327 HydrophobicContact CB-CE1 3.79Å; L1113-F1327 HydrophobicContact CB-CE2 3.87Å; L1113-F1327 HydrophobicContact CB-CG 4.14Å; L1113-F1327 HydrophobicContact CB-CZ 3.72Å; L1113-F1327 HydrophobicContact CD1-CB 4.28Å; L1113-F1327 HydrophobicContact CD1-CD1 4.32Å; L1113-F1327 HydrophobicContact CD1-CG 4.12Å; L1113-F1327 HydrophobicContact CD2-CD1 4.11Å; L1113-F1327 HydrophobicContact CD2-CE1 4.27Å; L1113-F1327 HydrophobicContact CG-CD1 4.38Å; L1113-F1327 WeakPolarHBondContact O-CZ 3.22Å |
| 1114 | Y | 73.6 | Confident | 73 | Confident | 126 Ų | 126 | 46.2 Ų | 46.2 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.7 | -174.1 | -101.7 | 0 | 0 | 0 | 112.4 | S1110 A1111 L1116 Y1117 L1118 | S1110-Y1114 WeakPolarHBondContact O-CB 3.3Å; S1110-Y1114 PolarHBondContact O-N 3.5Å; A1111-Y1114 PolarHBondContact O-N 3.24Å; Y1114-L1116 VanDerWaalsContact C-N 3.34Å; Y1114-L1116 PolarHBondContact O-N 2.92Å; Y1114-Y1117 PolarHBondContact O-N 3.25Å; Y1114-L1118 HydrophobicContact CD1-CD1 3.9Å; Y1114-L1118 HydrophobicContact CD1-CG 4.27Å; Y1114-L1118 HydrophobicContact CE1-CD1 3.49Å; Y1114-L1118 VanDerWaalsContact CE1-CD1 3.49Å; Y1114-L1118 HydrophobicContact CE1-CD2 4.36Å; Y1114-L1118 HydrophobicContact CE1-CG 3.93Å; Y1114-L1118 WeakPolarHBondContact O-CG 3.34Å; Y1114-L1118 PolarHBondContact O-N 2.88Å |
| 1115 | V | 77.9 | Confident | 72.9 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | V1098 A1111 G1112 Y1117 L1118 F1119 L1141 | V1098-V1115 HydrophobicContact CG1-CG1 4.08Å; V1098-V1115 HydrophobicContact CG2-CG1 4.35Å; A1111-V1115 WeakPolarHBondContact O-CG2 3.41Å; A1111-V1115 PolarHBondContact O-N 3.02Å; G1112-V1115 PolarHBondContact O-N 3Å; V1115-Y1117 PolarHBondContact O-N 3.45Å; V1115-L1118 PolarHBondContact O-N 2.72Å; V1115-F1119 HydrophobicContact CG1-CD2 4.25Å; V1115-F1119 HydrophobicContact CG1-CE2 4.19Å; V1115-F1119 WeakPolarHBondContact O-CD2 3.42Å; V1115-F1119 PolarHBondContact O-N 3.35Å; V1115-L1141 HydrophobicContact CG1-CD1 4.08Å |
| 1116 | L | 80.2 | Confident | 72.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 176.5 | 174.9 | 64.8 | 0 | 0 | 0 | 111.6 | G1112 L1113 Y1114 L1118 F1119 V1120 L1141 L1145 W1200 V1203 T1204 V1207 | G1112-L1116 PolarHBondContact O-N 3.03Å; L1113-L1116 WeakPolarHBondContact O-CB 3.2Å; L1113-L1116 PolarHBondContact O-N 3.25Å; Y1114-L1116 VanDerWaalsContact C-N 3.34Å; Y1114-L1116 PolarHBondContact O-N 2.92Å; L1116-L1118 PolarHBondContact O-N 3.16Å; L1116-F1119 PolarHBondContact O-N 3.16Å; L1116-F1119 VanDerWaalsContact O-N 3.16Å; L1116-V1120 HydrophobicContact CD1-CG2 4.31Å; L1116-V1120 HydrophobicContact CG-CG2 4.45Å; L1116-V1120 WeakPolarHBondContact O-CG2 3.46Å; L1116-V1120 PolarHBondContact O-N 2.64Å; L1116-L1141 HydrophobicContact CD1-CD2 4.27Å; L1116-L1145 HydrophobicContact CB-CD1 4.4Å; L1116-W1200 HydrophobicContact CD2-CE3 4.23Å; L1116-W1200 HydrophobicContact CD2-CZ3 4.12Å; L1116-V1203 HydrophobicContact CD2-CG1 3.96Å; L1116-T1204 HydrophobicContact CD1-CG2 3.33Å; L1116-T1204 HydrophobicContact CD2-CG2 3.81Å; L1116-T1204 HydrophobicContact CG-CG2 4.2Å; L1116-V1207 HydrophobicContact CD2-CG2 4.34Å |
| 1117 | Y | 76.5 | Confident | 72.6 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | -179.3 | 179.1 | -114.5 | 0 | 0 | 0 | 113 | L1113 Y1114 V1115 F1119 V1120 I1121 V1207 F1327 S1331 D1332 I1335 | L1113-Y1117 PolarHBondContact O-N 3.38Å; Y1114-Y1117 PolarHBondContact O-N 3.25Å; V1115-Y1117 PolarHBondContact O-N 3.45Å; Y1117-F1119 VanDerWaalsContact C-N 3.31Å; Y1117-F1119 PolarHBondContact O-N 2.68Å; Y1117-V1120 PolarHBondContact O-N 3.48Å; Y1117-I1121 HydrophobicContact CD1-CD1 3.55Å; Y1117-I1121 HydrophobicContact CD1-CG1 4.36Å; Y1117-I1121 HydrophobicContact CD2-CD1 4.31Å; Y1117-I1121 HydrophobicContact CD2-CG1 4.28Å; Y1117-I1121 HydrophobicContact CE1-CD1 3.13Å; Y1117-I1121 HydrophobicContact CE1-CG1 4.04Å; Y1117-I1121 HydrophobicContact CE2-CD1 3.93Å; Y1117-I1121 HydrophobicContact CE2-CG1 3.92Å; Y1117-I1121 HydrophobicContact CG-CD1 4.13Å; Y1117-I1121 HydrophobicContact CG-CG1 4.47Å; Y1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; Y1117-I1121 PolarHBondContact O-N 3.1Å; Y1117-V1207 HydrophobicContact CD2-CG1 4.1Å; Y1117-F1327 HydrophobicContact CG-CZ 4.12Å; Y1117-S1331 VanDerWaalsContact CE2-CB 3.47Å; Y1117-S1331 VanDerWaalsContact CE2-OG 3.3Å; Y1117-S1331 WeakPolarHBondContact CE2-OG 3.34Å; Y1117-S1331 VanDerWaalsContact CZ-CB 3.45Å; Y1117-S1331 PolarHBondContact OH-O 3.32Å; Y1117-D1332 PolarHBondContact OH-OD1 2.95Å; Y1117-I1335 HydrophobicContact CE1-CD1 3.66Å; Y1117-I1335 HydrophobicContact CE1-CG1 4.28Å |
| 1118 | L | 72.3 | Confident | 71.9 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 27% | 0.272 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.1 | -42.4 | 173.3 | -76.4 | 177.1 | 0 | 0 | 0 | 112.4 | Y1114 V1115 L1116 R1122 | Y1114-L1118 HydrophobicContact CD1-CD1 3.9Å; Y1114-L1118 HydrophobicContact CD1-CG 4.27Å; Y1114-L1118 HydrophobicContact CE1-CD1 3.49Å; Y1114-L1118 VanDerWaalsContact CE1-CD1 3.49Å; Y1114-L1118 HydrophobicContact CE1-CD2 4.36Å; Y1114-L1118 HydrophobicContact CE1-CG 3.93Å; Y1114-L1118 WeakPolarHBondContact O-CG 3.34Å; Y1114-L1118 PolarHBondContact O-N 2.88Å; V1115-L1118 PolarHBondContact O-N 2.72Å; L1116-L1118 PolarHBondContact O-N 3.16Å; L1118-R1122 WeakPolarHBondContact O-CG 3.47Å; L1118-R1122 PolarHBondContact O-N 3Å |
| 1119 | F | 78 | Confident | 71.3 | Confident | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 175.4 | -86.1 | -100.9 | 0 | 0 | 0 | 111.1 | V1069 I1094 V1115 L1116 Y1117 I1121 R1122 F1123 Y1138 L1141 | V1069-F1119 HydrophobicContact CG1-CE1 4.48Å; V1069-F1119 HydrophobicContact CG1-CE2 4.43Å; V1069-F1119 HydrophobicContact CG1-CZ 3.93Å; I1094-F1119 HydrophobicContact CD1-CE1 4.4Å; I1094-F1119 HydrophobicContact CD1-CZ 4.33Å; V1115-F1119 HydrophobicContact CG1-CD2 4.25Å; V1115-F1119 HydrophobicContact CG1-CE2 4.19Å; V1115-F1119 WeakPolarHBondContact O-CD2 3.42Å; V1115-F1119 PolarHBondContact O-N 3.35Å; L1116-F1119 PolarHBondContact O-N 3.16Å; L1116-F1119 VanDerWaalsContact O-N 3.16Å; Y1117-F1119 VanDerWaalsContact C-N 3.31Å; Y1117-F1119 PolarHBondContact O-N 2.68Å; F1119-I1121 PolarHBondContact O-N 3.18Å; F1119-R1122 PolarHBondContact O-N 2.94Å; F1119-F1123 PolarHBondContact O-N 3.21Å; F1119-Y1138 VanDerWaalsContact C-OH 3.32Å; F1119-Y1138 HydrophobicContact CB-CE1 4.01Å; F1119-Y1138 PolarHBondContact O-OH 3.24Å; F1119-L1141 HydrophobicContact CB-CD2 3.97Å; F1119-L1141 HydrophobicContact CD1-CD2 4.1Å; F1119-L1141 HydrophobicContact CD2-CD1 4.38Å; F1119-L1141 HydrophobicContact CD2-CD2 3.98Å; F1119-L1141 HydrophobicContact CE2-CD1 4.2Å; F1119-L1141 HydrophobicContact CE2-CD2 4.5Å; F1119-L1141 HydrophobicContact CG-CD2 3.74Å |
| 1120 | V | 78.5 | Confident | 71 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 179 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | L1116 Y1117 R1122 F1123 V1207 F1208 K1211 W1213 | L1116-V1120 HydrophobicContact CD1-CG2 4.31Å; L1116-V1120 HydrophobicContact CG-CG2 4.45Å; L1116-V1120 WeakPolarHBondContact O-CG2 3.46Å; L1116-V1120 PolarHBondContact O-N 2.64Å; Y1117-V1120 PolarHBondContact O-N 3.48Å; V1120-R1122 VanDerWaalsContact C-N 3.29Å; V1120-R1122 PolarHBondContact O-N 3.41Å; V1120-F1123 WeakPolarHBondContact O-CB 3.39Å; V1120-F1123 PolarHBondContact O-N 2.92Å; V1120-V1207 HydrophobicContact CB-CG1 4.2Å; V1120-V1207 HydrophobicContact CG1-CG1 4.12Å; V1120-V1207 HydrophobicContact CG2-CG1 3.97Å; V1120-F1208 HydrophobicContact CB-CZ 4.41Å; V1120-F1208 HydrophobicContact CG1-CD1 3.99Å; V1120-F1208 HydrophobicContact CG1-CD2 4.38Å; V1120-F1208 HydrophobicContact CG1-CE1 4.03Å; V1120-F1208 HydrophobicContact CG1-CE2 4.45Å; V1120-F1208 HydrophobicContact CG1-CG 4.14Å; V1120-F1208 HydrophobicContact CG1-CZ 4.26Å; V1120-F1208 HydrophobicContact CG2-CD2 3.89Å; V1120-F1208 HydrophobicContact CG2-CE2 3.6Å; V1120-F1208 HydrophobicContact CG2-CG 4.46Å; V1120-F1208 HydrophobicContact CG2-CZ 3.92Å; V1120-K1211 HydrophobicContact CG1-CD 3.96Å; V1120-K1211 PolarHBondContact O-NZ 3.36Å; V1120-W1213 HydrophobicContact CG1-CH2 4.18Å; V1120-W1213 HydrophobicContact CG1-CZ2 4.1Å; V1120-W1213 WeakPolarHBondContact O-CH2 3.32Å |
| 1121 | I | 73.1 | Confident | 71 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 177.1 | -71.8 | 165.9 | 0 | 0 | 0 | 110.7 | Y1117 F1119 F1123 K1211 I1335 | Y1117-I1121 HydrophobicContact CD1-CD1 3.55Å; Y1117-I1121 HydrophobicContact CD1-CG1 4.36Å; Y1117-I1121 HydrophobicContact CD2-CD1 4.31Å; Y1117-I1121 HydrophobicContact CD2-CG1 4.28Å; Y1117-I1121 HydrophobicContact CE1-CD1 3.13Å; Y1117-I1121 HydrophobicContact CE1-CG1 4.04Å; Y1117-I1121 HydrophobicContact CE2-CD1 3.93Å; Y1117-I1121 HydrophobicContact CE2-CG1 3.92Å; Y1117-I1121 HydrophobicContact CG-CD1 4.13Å; Y1117-I1121 HydrophobicContact CG-CG1 4.47Å; Y1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; Y1117-I1121 PolarHBondContact O-N 3.1Å; F1119-I1121 PolarHBondContact O-N 3.18Å; I1121-F1123 VanDerWaalsContact C-N 3.28Å; I1121-F1123 PolarHBondContact O-N 2.67Å; I1121-K1211 VanDerWaalsContact CA-NZ 3.29Å; I1121-K1211 PolarHBondContact O-NZ 3.06Å; I1121-I1335 HydrophobicContact CD1-CD1 3.49Å; I1121-I1335 VanDerWaalsContact CD1-CD1 3.49Å |
| 1122 | R | 73.5 | Confident | 70.8 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -85.9 | 8 | -173.4 | -58.8 | -73.2 | 175.9 | 167.4 | 0.2 | 113.5 | L1118 F1119 V1120 A1124 E1125 F1126 | L1118-R1122 WeakPolarHBondContact O-CG 3.47Å; L1118-R1122 PolarHBondContact O-N 3Å; F1119-R1122 PolarHBondContact O-N 2.94Å; V1120-R1122 VanDerWaalsContact C-N 3.29Å; V1120-R1122 PolarHBondContact O-N 3.41Å; R1122-A1124 PolarHBondContact O-N 3.46Å; R1122-E1125 WeakPolarHBondContact CD-OE1 3.4Å; R1122-E1125 VanDerWaalsContact CD-OE2 3.29Å; R1122-E1125 WeakPolarHBondContact CD-OE2 3.35Å; R1122-E1125 IonicContact CZ-OE1 3.46Å; R1122-E1125 IonicContact NE-OE1 2.86Å; R1122-E1125 IonicContact NH1-OE1 2.99Å; R1122-E1125 PolarHBondContact NH1-OE1 3.07Å; R1122-E1125 IonicContact NH1-OE2 3.63Å; R1122-E1125 WeakPolarHBondContact O-CB 3.49Å; R1122-E1125 PolarHBondContact O-N 3.38Å; R1122-F1126 WeakPolarHBondContact O-CD2 3.31Å |
| 1123 | F | 76.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -52.6 | -38.1 | 177.3 | -178.9 | -100.4 | 0 | 0 | 0 | 113.1 | F1119 V1120 I1121 E1125 F1126 R1134 Y1138 F1208 W1213 V1218 V1222 F1225 | F1119-F1123 PolarHBondContact O-N 3.21Å; V1120-F1123 WeakPolarHBondContact O-CB 3.39Å; V1120-F1123 PolarHBondContact O-N 2.92Å; I1121-F1123 VanDerWaalsContact C-N 3.28Å; I1121-F1123 PolarHBondContact O-N 2.67Å; F1123-E1125 PolarHBondContact O-N 3.38Å; F1123-F1126 PolarHBondContact O-N 3.22Å; F1123-R1134 HydrophobicContact CD2-CG 4.42Å; F1123-R1134 HydrophobicContact CE2-CG 4.16Å; F1123-Y1138 HydrophobicContact CD2-CE2 4.03Å; F1123-F1208 HydrophobicContact CB-CE1 4.14Å; F1123-F1208 HydrophobicContact CD1-CE1 4.38Å; F1123-F1208 AromaticContact CD2-CE1 3.59Å; F1123-F1208 HydrophobicContact CD2-CE1 3.59Å; F1123-F1208 AromaticContact CD2-CZ 3.82Å; F1123-F1208 HydrophobicContact CD2-CZ 3.82Å; F1123-F1208 AromaticContact CE2-CE1 3.97Å; F1123-F1208 HydrophobicContact CE2-CE1 3.97Å; F1123-F1208 HydrophobicContact CE2-CZ 4.25Å; F1123-F1208 AromaticContact CG-CE1 3.81Å; F1123-F1208 HydrophobicContact CG-CE1 3.81Å; F1123-F1208 HydrophobicContact CG-CZ 4.38Å; F1123-W1213 HydrophobicContact CB-CH2 3.54Å; F1123-W1213 HydrophobicContact CB-CZ3 3.84Å; F1123-W1213 AromaticContact CD1-CH2 3.87Å; F1123-W1213 HydrophobicContact CD1-CH2 3.87Å; F1123-W1213 AromaticContact CD1-CZ3 3.94Å; F1123-W1213 HydrophobicContact CD1-CZ3 3.94Å; F1123-W1213 AromaticContact CG-CH2 3.99Å; F1123-W1213 HydrophobicContact CG-CH2 3.99Å; F1123-W1213 HydrophobicContact CG-CZ3 4.34Å; F1123-V1218 HydrophobicContact CD1-CG1 3.62Å; F1123-V1218 HydrophobicContact CE1-CG1 3.87Å; F1123-V1222 HydrophobicContact CD1-CG2 4.41Å; F1123-V1222 HydrophobicContact CE1-CG2 3.9Å; F1123-V1222 HydrophobicContact CZ-CG2 4.42Å; F1123-F1225 AromaticContact CE2-CD1 3.67Å; F1123-F1225 HydrophobicContact CE2-CD1 3.67Å; F1123-F1225 HydrophobicContact CE2-CD2 4.13Å; F1123-F1225 AromaticContact CE2-CE1 3.81Å; F1123-F1225 HydrophobicContact CE2-CE1 3.81Å; F1123-F1225 HydrophobicContact CE2-CE2 4.24Å; F1123-F1225 AromaticContact CE2-CG 3.85Å; F1123-F1225 HydrophobicContact CE2-CG 3.85Å; F1123-F1225 HydrophobicContact CE2-CZ 4.1Å; F1123-F1225 HydrophobicContact CZ-CB 4.25Å; F1123-F1225 HydrophobicContact CZ-CD1 4.04Å; F1123-F1225 AromaticContact CZ-CG 3.99Å; F1123-F1225 HydrophobicContact CZ-CG 3.99Å |
| 1124 | A | 69.6 | Low | 70.2 | Confident | 50 Ų | 50 | 57 Ų | 57 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -68.4 | -18.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R1122 V1218 | R1122-A1124 PolarHBondContact O-N 3.46Å; A1124-V1218 HydrophobicContact CB-CG1 4.28Å; A1124-V1218 HydrophobicContact CB-CG2 4.14Å |
| 1125 | E | 66.5 | Low | 70.3 | Confident | 105 Ų | 105 | 52 Ų | 52 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -85.1 | -21.6 | 179.8 | -66.1 | 176.5 | -166.7 | 0 | 0 | 112.7 | R1122 F1123 S1127 | R1122-E1125 WeakPolarHBondContact CD-OE1 3.4Å; R1122-E1125 VanDerWaalsContact CD-OE2 3.29Å; R1122-E1125 WeakPolarHBondContact CD-OE2 3.35Å; R1122-E1125 IonicContact CZ-OE1 3.46Å; R1122-E1125 IonicContact NE-OE1 2.86Å; R1122-E1125 IonicContact NH1-OE1 2.99Å; R1122-E1125 PolarHBondContact NH1-OE1 3.07Å; R1122-E1125 IonicContact NH1-OE2 3.63Å; R1122-E1125 WeakPolarHBondContact O-CB 3.49Å; R1122-E1125 PolarHBondContact O-N 3.38Å; F1123-E1125 PolarHBondContact O-N 3.38Å; E1125-S1127 PolarHBondContact O-N 2.78Å |
| 1126 | F | 64.3 | Low | 70.2 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -72.8 | 112.9 | 171.9 | -64.4 | -75.6 | 0 | 0 | 0 | 108.2 | A1073 R1122 F1123 T1128 R1134 L1137 | A1073-F1126 HydrophobicContact CB-CE1 3.74Å; A1073-F1126 HydrophobicContact CB-CZ 4.23Å; R1122-F1126 WeakPolarHBondContact O-CD2 3.31Å; F1123-F1126 PolarHBondContact O-N 3.22Å; F1126-T1128 PolarHBondContact O-N 3.34Å; F1126-R1134 HydrophobicContact CB-CG 4.29Å; F1126-L1137 HydrophobicContact CE1-CD1 4.12Å |
| 1127 | S | 57.9 | Low | 70 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | trans | -49.8 | 135.5 | -173.3 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | E1125 N1129 L1130 | E1125-S1127 PolarHBondContact O-N 2.78Å; S1127-N1129 PolarHBondContact O-N 3.27Å; S1127-L1130 PolarHBondContact O-N 3.28Å; S1127-L1130 WeakPolarHBondContact OG-CD1 3.5Å | ||
| 1128 | T | 57.7 | Low | 70.3 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -54.3 | -35.7 | -179.6 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | F1126 L1130 E1221 | F1126-T1128 PolarHBondContact O-N 3.34Å; T1128-L1130 PolarHBondContact O-N 3.27Å; T1128-E1221 WeakPolarHBondContact CB-OE1 3.42Å; T1128-E1221 WeakPolarHBondContact CG2-OE1 3.4Å |
| 1129 | N | 60.8 | Low | 70.8 | Confident | 149 Ų | 149 | 50.2 Ų | 50.2 | 80% | 0.797 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -63 | -4.1 | -179.3 | -65 | -5.9 | 0 | 0 | 0 | 115.7 | S1127 | S1127-N1129 PolarHBondContact O-N 3.27Š|
| 1130 | L | 64.3 | Low | 70.9 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -128.9 | 40.9 | -172 | -61.7 | 174.7 | 0 | 0 | 0 | 114.3 | S1127 T1128 R1132 R1133 R1134 | S1127-L1130 PolarHBondContact O-N 3.28Å; S1127-L1130 WeakPolarHBondContact OG-CD1 3.5Å; T1128-L1130 PolarHBondContact O-N 3.27Å; L1130-R1132 VanDerWaalsContact C-N 3.35Å; L1130-R1132 PolarHBondContact O-N 3.28Å; L1130-R1133 HydrophobicContact CB-CB 4.38Å; L1130-R1133 HydrophobicContact CB-CG 4.46Å; L1130-R1133 VanDerWaalsContact CD2-CZ 3.47Å; L1130-R1133 PolarHBondContact O-N 2.97Å; L1130-R1134 PolarHBondContact O-N 3.43Å; L1130-R1134 VanDerWaalsContact O-N 3.16Å |
| 1131 | A | 67.2 | Low | 71.1 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -48.2 | -47.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1133 R1134 L1135 | A1131-R1133 VanDerWaalsContact C-N 3.27Å; A1131-R1133 PolarHBondContact O-N 3.22Å; A1131-R1134 VanDerWaalsContact O-CB 3.3Å; A1131-R1134 WeakPolarHBondContact O-CB 3.16Å; A1131-R1134 PolarHBondContact O-N 2.94Å; A1131-R1134 VanDerWaalsContact O-N 3.16Å; A1131-L1135 PolarHBondContact O-N 3.34Å |
| 1132 | R | 65.3 | Low | 71.6 | Confident | 215 Ų | 215 | 48.3 Ų | 48.3 | 81% | 0.811 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.4 | -32.3 | -179.7 | -170.6 | -179.2 | -80.9 | 172 | -4.4 | 113.2 | L1130 L1135 A1136 | L1130-R1132 VanDerWaalsContact C-N 3.35Å; L1130-R1132 PolarHBondContact O-N 3.28Å; R1132-L1135 WeakPolarHBondContact O-CB 3.49Å; R1132-A1136 PolarHBondContact O-N 3.1Å; R1132-A1136 VanDerWaalsContact O-N 3.15Å |
| 1133 | R | 68.2 | Low | 71.9 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76.5 | -39.5 | 177.9 | -59.2 | -170.8 | -168.8 | 159.5 | -3.3 | 111.2 | M1079 R1080 D1082 L1087 L1130 A1131 L1135 A1136 L1137 | M1079-R1133 VanDerWaalsContact O-CZ 3.27Å; M1079-R1133 PolarHBondContact O-NH1 3.45Å; R1080-R1133 PolarHBondContact O-NH2 3Å; R1080-R1133 VanDerWaalsContact O-NH2 3.14Å; D1082-R1133 IonicContact OD1-CZ 3.16Å; D1082-R1133 IonicContact OD1-NE 3.42Å; D1082-R1133 PolarHBondContact OD1-NE 3.23Å; D1082-R1133 IonicContact OD1-NH2 2.71Å; D1082-R1133 PolarHBondContact OD1-NH2 2.82Å; D1082-R1133 IonicContact OD2-CZ 3.51Å; D1082-R1133 IonicContact OD2-NE 3.57Å; D1082-R1133 IonicContact OD2-NH2 2.72Å; D1082-R1133 PolarHBondContact OD2-NH2 3.04Å; L1087-R1133 HydrophobicContact CD1-CG 4.3Å; L1087-R1133 HydrophobicContact CD2-CB 4.25Å; L1087-R1133 HydrophobicContact CD2-CG 4.33Å; L1130-R1133 HydrophobicContact CB-CB 4.38Å; L1130-R1133 HydrophobicContact CB-CG 4.46Å; L1130-R1133 VanDerWaalsContact CD2-CZ 3.47Å; L1130-R1133 PolarHBondContact O-N 2.97Å; A1131-R1133 VanDerWaalsContact C-N 3.27Å; A1131-R1133 PolarHBondContact O-N 3.22Å; R1133-L1135 VanDerWaalsContact C-N 3.31Å; R1133-L1135 PolarHBondContact O-N 3.49Å; R1133-A1136 PolarHBondContact O-N 3.21Å; R1133-L1137 PolarHBondContact O-N 3.35Å |
| 1134 | R | 72.8 | Confident | 72 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.4 | -50 | 171 | -156 | -174.8 | -46.4 | 171.8 | 14.3 | 109.7 | F1123 F1126 L1130 A1131 A1136 L1137 Y1138 E1221 F1225 | F1123-R1134 HydrophobicContact CD2-CG 4.42Å; F1123-R1134 HydrophobicContact CE2-CG 4.16Å; F1126-R1134 HydrophobicContact CB-CG 4.29Å; L1130-R1134 PolarHBondContact O-N 3.43Å; L1130-R1134 VanDerWaalsContact O-N 3.16Å; A1131-R1134 VanDerWaalsContact O-CB 3.3Å; A1131-R1134 WeakPolarHBondContact O-CB 3.16Å; A1131-R1134 PolarHBondContact O-N 2.94Å; A1131-R1134 VanDerWaalsContact O-N 3.16Å; R1134-A1136 PolarHBondContact O-N 3.38Å; R1134-L1137 WeakPolarHBondContact O-CB 3.34Å; R1134-L1137 PolarHBondContact O-N 3.41Å; R1134-Y1138 HydrophobicContact CG-CD2 4.11Å; R1134-Y1138 HydrophobicContact CG-CE2 3.9Å; R1134-Y1138 VanDerWaalsContact O-CD2 3.3Å; R1134-Y1138 WeakPolarHBondContact O-CD2 3.43Å; R1134-Y1138 PolarHBondContact O-N 3.26Å; R1134-Y1138 VanDerWaalsContact O-N 3.09Å; R1134-E1221 IonicContact CZ-OE2 3.02Å; R1134-E1221 IonicContact NH1-OE2 3.52Å; R1134-E1221 PolarHBondContact NH1-OE2 2.99Å; R1134-E1221 IonicContact NH2-OE2 3.96Å; R1134-E1221 PolarHBondContact NH2-OE2 3.23Å; R1134-F1225 HydrophobicContact CB-CE2 4.41Å; R1134-F1225 HydrophobicContact CG-CE2 4.15Å |
| 1135 | L | 76.3 | Confident | 72.6 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.3 | -51 | 175.4 | -171.1 | 83.5 | 0 | 0 | 0 | 112.8 | A1131 R1132 R1133 L1137 Y1138 A1139 F1225 E1228 L1229 | A1131-L1135 PolarHBondContact O-N 3.34Å; R1132-L1135 WeakPolarHBondContact O-CB 3.49Å; R1133-L1135 VanDerWaalsContact C-N 3.31Å; R1133-L1135 PolarHBondContact O-N 3.49Å; L1135-L1137 VanDerWaalsContact C-N 3.31Å; L1135-L1137 PolarHBondContact O-N 2.92Å; L1135-Y1138 PolarHBondContact O-N 3Å; L1135-A1139 VanDerWaalsContact O-CB 3.3Å; L1135-A1139 WeakPolarHBondContact O-CB 3.28Å; L1135-A1139 PolarHBondContact O-N 3.11Å; L1135-F1225 HydrophobicContact CD1-CE2 4.46Å; L1135-E1228 VanDerWaalsContact CD1-C 3.44Å; L1135-E1228 HydrophobicContact CD1-CB 3.45Å; L1135-E1228 VanDerWaalsContact CD1-CB 3.45Å; L1135-E1228 HydrophobicContact CD2-CB 4.48Å; L1135-L1229 HydrophobicContact CD1-CB 4.16Å |
| 1136 | A | 74.8 | Confident | 73.2 | Confident | 37 Ų | 37 | 40.5 Ų | 40.5 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.1 | -40.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1087 R1132 R1133 R1134 V1140 | L1087-A1136 HydrophobicContact CD2-CB 4.18Å; R1132-A1136 PolarHBondContact O-N 3.1Å; R1132-A1136 VanDerWaalsContact O-N 3.15Å; R1133-A1136 PolarHBondContact O-N 3.21Å; R1134-A1136 PolarHBondContact O-N 3.38Å; A1136-V1140 VanDerWaalsContact O-CG2 3.24Å; A1136-V1140 WeakPolarHBondContact O-CG2 3.23Å; A1136-V1140 PolarHBondContact O-N 3.04Å |
| 1137 | L | 75.9 | Confident | 73.8 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -51.9 | 177.4 | -103.9 | 163.7 | 0 | 0 | 0 | 112.3 | M1079 L1090 I1094 F1126 R1133 R1134 L1135 V1140 L1141 | M1079-L1137 HydrophobicContact CE-CD1 4.11Å; L1090-L1137 HydrophobicContact CD1-CD2 4.44Å; L1090-L1137 HydrophobicContact CD2-CD1 3.94Å; L1090-L1137 HydrophobicContact CD2-CD2 3.83Å; L1090-L1137 HydrophobicContact CD2-CG 3.92Å; L1090-L1137 HydrophobicContact CG-CD2 3.96Å; L1090-L1137 HydrophobicContact CG-CG 4.48Å; I1094-L1137 HydrophobicContact CD1-CD2 3.13Å; F1126-L1137 HydrophobicContact CE1-CD1 4.12Å; R1133-L1137 PolarHBondContact O-N 3.35Å; R1134-L1137 WeakPolarHBondContact O-CB 3.34Å; R1134-L1137 PolarHBondContact O-N 3.41Å; L1135-L1137 VanDerWaalsContact C-N 3.31Å; L1135-L1137 PolarHBondContact O-N 2.92Å; L1137-V1140 PolarHBondContact O-N 3.38Å; L1137-L1141 PolarHBondContact O-N 3.12Å |
| 1138 | Y | 83 | Confident | 74.4 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 179.3 | -80 | -89.9 | 0 | 0 | 0 | 112.3 | F1119 F1123 R1134 L1135 V1140 L1141 I1142 F1208 F1225 | F1119-Y1138 VanDerWaalsContact C-OH 3.32Å; F1119-Y1138 HydrophobicContact CB-CE1 4.01Å; F1119-Y1138 PolarHBondContact O-OH 3.24Å; F1123-Y1138 HydrophobicContact CD2-CE2 4.03Å; R1134-Y1138 HydrophobicContact CG-CD2 4.11Å; R1134-Y1138 HydrophobicContact CG-CE2 3.9Å; R1134-Y1138 VanDerWaalsContact O-CD2 3.3Å; R1134-Y1138 WeakPolarHBondContact O-CD2 3.43Å; R1134-Y1138 PolarHBondContact O-N 3.26Å; R1134-Y1138 VanDerWaalsContact O-N 3.09Å; L1135-Y1138 PolarHBondContact O-N 3Å; Y1138-V1140 VanDerWaalsContact C-N 3.29Å; Y1138-V1140 PolarHBondContact O-N 3.35Å; Y1138-L1141 HydrophobicContact CD1-CD2 4.45Å; Y1138-L1141 WeakPolarHBondContact O-CB 3.42Å; Y1138-L1141 PolarHBondContact O-N 3.18Å; Y1138-I1142 WeakPolarHBondContact O-CG1 3.29Å; Y1138-I1142 PolarHBondContact O-N 3.37Å; Y1138-F1208 HydrophobicContact CD1-CE2 4.22Å; Y1138-F1208 HydrophobicContact CD1-CZ 4.32Å; Y1138-F1208 AromaticContact CE1-CE2 3.8Å; Y1138-F1208 HydrophobicContact CE1-CE2 3.8Å; Y1138-F1208 AromaticContact CE1-CZ 3.6Å; Y1138-F1208 HydrophobicContact CE1-CZ 3.6Å; Y1138-F1208 AromaticContact CZ-CZ 3.78Å; Y1138-F1225 HydrophobicContact CD1-CZ 4.27Å; Y1138-F1225 HydrophobicContact CD2-CE1 4.38Å; Y1138-F1225 HydrophobicContact CD2-CE2 4.08Å; Y1138-F1225 AromaticContact CD2-CZ 3.45Å; Y1138-F1225 HydrophobicContact CD2-CZ 3.45Å; Y1138-F1225 VanDerWaalsContact CD2-CZ 3.45Å; Y1138-F1225 HydrophobicContact CE2-CZ 4.03Å; Y1138-F1225 HydrophobicContact CG-CE1 4.37Å; Y1138-F1225 AromaticContact CG-CZ 3.59Å; Y1138-F1225 HydrophobicContact CG-CZ 3.59Å |
| 1139 | A | 83.4 | Confident | 75 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -39.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1135 R1143 L1229 H1232 F1233 | L1135-A1139 VanDerWaalsContact O-CB 3.3Å; L1135-A1139 WeakPolarHBondContact O-CB 3.28Å; L1135-A1139 PolarHBondContact O-N 3.11Å; A1139-R1143 WeakPolarHBondContact O-CG 3.32Å; A1139-R1143 PolarHBondContact O-N 2.99Å; A1139-R1143 VanDerWaalsContact O-N 3.11Å; A1139-L1229 HydrophobicContact CB-CD1 4.25Å; A1139-H1232 VanDerWaalsContact CB-CD2 3.47Å; A1139-H1232 WeakPolarHBondContact CB-CD2 3.49Å; A1139-F1233 HydrophobicContact CB-CE2 4.36Å; A1139-F1233 HydrophobicContact CB-CZ 4.21Å |
| 1140 | V | 80.4 | Confident | 75.4 | Confident | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.7 | -36.9 | 176 | 177.4 | 0 | 0 | 0 | 0 | 112 | G1091 I1094 L1095 A1136 L1137 Y1138 I1142 R1143 G1144 | G1091-V1140 WeakPolarHBondContact O-CG1 3.49Å; I1094-V1140 HydrophobicContact CB-CG1 4.22Å; I1094-V1140 HydrophobicContact CG2-CG1 4.24Å; L1095-V1140 HydrophobicContact CB-CG1 4.08Å; L1095-V1140 HydrophobicContact CD1-CG1 4.1Å; A1136-V1140 VanDerWaalsContact O-CG2 3.24Å; A1136-V1140 WeakPolarHBondContact O-CG2 3.23Å; A1136-V1140 PolarHBondContact O-N 3.04Å; L1137-V1140 PolarHBondContact O-N 3.38Å; Y1138-V1140 VanDerWaalsContact C-N 3.29Å; Y1138-V1140 PolarHBondContact O-N 3.35Å; V1140-I1142 PolarHBondContact O-N 3.33Å; V1140-R1143 PolarHBondContact O-N 3.4Å; V1140-G1144 PolarHBondContact O-N 2.99Å |
| 1141 | L | 82 | Confident | 75.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.5 | -49.3 | 173.2 | -179.9 | 66.4 | 0 | 0 | 0 | 111.3 | I1094 V1098 V1115 L1116 F1119 L1137 Y1138 R1143 G1144 L1145 | I1094-L1141 HydrophobicContact CG2-CB 4.18Å; I1094-L1141 HydrophobicContact CG2-CD1 4Å; V1098-L1141 HydrophobicContact CG1-CD1 4.45Å; V1098-L1141 HydrophobicContact CG2-CD1 4.41Å; V1115-L1141 HydrophobicContact CG1-CD1 4.08Å; L1116-L1141 HydrophobicContact CD1-CD2 4.27Å; F1119-L1141 HydrophobicContact CB-CD2 3.97Å; F1119-L1141 HydrophobicContact CD1-CD2 4.1Å; F1119-L1141 HydrophobicContact CD2-CD1 4.38Å; F1119-L1141 HydrophobicContact CD2-CD2 3.98Å; F1119-L1141 HydrophobicContact CE2-CD1 4.2Å; F1119-L1141 HydrophobicContact CE2-CD2 4.5Å; F1119-L1141 HydrophobicContact CG-CD2 3.74Å; L1137-L1141 PolarHBondContact O-N 3.12Å; Y1138-L1141 HydrophobicContact CD1-CD2 4.45Å; Y1138-L1141 WeakPolarHBondContact O-CB 3.42Å; Y1138-L1141 PolarHBondContact O-N 3.18Å; L1141-R1143 PolarHBondContact O-N 2.89Å; L1141-G1144 WeakPolarHBondContact O-CA 3.49Å; L1141-G1144 PolarHBondContact O-N 3.36Å; L1141-L1145 HydrophobicContact CD1-CD1 4.38Å; L1141-L1145 HydrophobicContact CD1-CG 4.34Å; L1141-L1145 HydrophobicContact CG-CD1 4.1Å; L1141-L1145 HydrophobicContact CG-CG 4.44Å; L1141-L1145 WeakPolarHBondContact O-CG 3.5Å; L1141-L1145 PolarHBondContact O-N 3.35Å |
| 1142 | I | 83.2 | Confident | 75.1 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 178.1 | -68.8 | 175.4 | 0 | 0 | 0 | 111.1 | Y1138 V1140 G1144 L1145 S1146 V1197 W1200 L1201 T1204 L1229 F1233 | Y1138-I1142 WeakPolarHBondContact O-CG1 3.29Å; Y1138-I1142 PolarHBondContact O-N 3.37Å; V1140-I1142 PolarHBondContact O-N 3.33Å; I1142-G1144 VanDerWaalsContact C-N 3.27Å; I1142-G1144 PolarHBondContact O-N 3.17Å; I1142-L1145 PolarHBondContact O-N 3.49Å; I1142-S1146 WeakPolarHBondContact O-CB 3.45Å; I1142-S1146 PolarHBondContact O-N 3.02Å; I1142-S1146 PolarHBondContact O-OG 2.92Å; I1142-V1197 HydrophobicContact CG2-CG1 4.12Å; I1142-W1200 HydrophobicContact CG2-CB 3.97Å; I1142-L1201 HydrophobicContact CD1-CD2 3.74Å; I1142-L1201 HydrophobicContact CD1-CG 4.34Å; I1142-L1201 HydrophobicContact CG2-CG 4.28Å; I1142-T1204 HydrophobicContact CD1-CG2 3.82Å; I1142-T1204 HydrophobicContact CG1-CG2 3.86Å; I1142-L1229 HydrophobicContact CD1-CD1 4.17Å; I1142-L1229 HydrophobicContact CD1-CD2 3.84Å; I1142-L1229 HydrophobicContact CD1-CG 4.16Å; I1142-F1233 HydrophobicContact CB-CZ 4.2Å; I1142-F1233 HydrophobicContact CG2-CE2 4.46Å; I1142-F1233 HydrophobicContact CG2-CZ 3.97Å |
| 1143 | R | 80.9 | Confident | 74.5 | Confident | 95 Ų | 95 | 22 Ų | 22 | 36% | 0.358 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.9 | -32.5 | 173.6 | -73.5 | 179.3 | -178.1 | 139.2 | 5.6 | 112.7 | L1095 A1139 V1140 L1141 S1146 Q1147 H1232 F1233 | L1095-R1143 HydrophobicContact CD1-CB 3.77Å; A1139-R1143 WeakPolarHBondContact O-CG 3.32Å; A1139-R1143 PolarHBondContact O-N 2.99Å; A1139-R1143 VanDerWaalsContact O-N 3.11Å; V1140-R1143 PolarHBondContact O-N 3.4Å; L1141-R1143 PolarHBondContact O-N 2.89Å; R1143-S1146 WeakPolarHBondContact CA-OG 3.32Å; R1143-S1146 PolarHBondContact O-OG 3.45Å; R1143-S1146 VanDerWaalsContact O-OG 3.1Å; R1143-Q1147 VanDerWaalsContact O-CG 3.3Å; R1143-Q1147 WeakPolarHBondContact O-CG 3.46Å; R1143-H1232 PolarHBondContact NH1-NE2 2.9Å; R1143-H1232 PolarHBondContact NH2-CD2 3.41Å; R1143-H1232 PolarHBondContact NH2-NE2 3.41Å; R1143-F1233 HydrophobicContact CG-CE1 3.78Å; R1143-F1233 HydrophobicContact CG-CZ 4.24Å |
| 1144 | G | 78.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.4 | -54.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1099 V1140 L1141 I1142 S1146 Q1147 | P1099-G1144 WeakPolarHBondContact CG-O 3.45Å; V1140-G1144 PolarHBondContact O-N 2.99Å; L1141-G1144 WeakPolarHBondContact O-CA 3.49Å; L1141-G1144 PolarHBondContact O-N 3.36Å; I1142-G1144 VanDerWaalsContact C-N 3.27Å; I1142-G1144 PolarHBondContact O-N 3.17Å; G1144-S1146 VanDerWaalsContact C-N 3.34Å; G1144-S1146 PolarHBondContact O-N 2.9Å; G1144-Q1147 WeakPolarHBondContact O-CB 3.48Å; G1144-Q1147 PolarHBondContact O-N 2.98Å |
| 1145 | L | 80.7 | Confident | 71.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.2 | -48.5 | -179.8 | -66.9 | 174.2 | 0 | 0 | 0 | 111.7 | V1098 I1102 L1116 L1141 I1142 Q1147 V1148 T1149 W1200 | V1098-L1145 HydrophobicContact CG1-CD2 3.77Å; I1102-L1145 HydrophobicContact CD1-CD2 3.3Å; L1116-L1145 HydrophobicContact CB-CD1 4.4Å; L1141-L1145 HydrophobicContact CD1-CD1 4.38Å; L1141-L1145 HydrophobicContact CD1-CG 4.34Å; L1141-L1145 HydrophobicContact CG-CD1 4.1Å; L1141-L1145 HydrophobicContact CG-CG 4.44Å; L1141-L1145 WeakPolarHBondContact O-CG 3.5Å; L1141-L1145 PolarHBondContact O-N 3.35Å; I1142-L1145 PolarHBondContact O-N 3.49Å; L1145-Q1147 PolarHBondContact O-N 3.36Å; L1145-Q1147 VanDerWaalsContact O-N 3.09Å; L1145-V1148 PolarHBondContact O-N 3.31Å; L1145-V1148 VanDerWaalsContact O-N 3.11Å; L1145-T1149 PolarHBondContact O-N 3.3Å; L1145-T1149 VanDerWaalsContact O-N 3.12Å; L1145-W1200 HydrophobicContact CB-CD2 3.82Å; L1145-W1200 HydrophobicContact CB-CE3 4.46Å; L1145-W1200 HydrophobicContact CB-CG 4.02Å; L1145-W1200 HydrophobicContact CB-CZ2 4.09Å; L1145-W1200 HydrophobicContact CD1-CD2 3.98Å; L1145-W1200 HydrophobicContact CD1-CE3 3.77Å; L1145-W1200 HydrophobicContact CD1-CH2 4.38Å; L1145-W1200 HydrophobicContact CD1-CZ3 3.98Å; L1145-W1200 HydrophobicContact CG-CD2 4.5Å |
| 1146 | S | 79.7 | Confident | 69.7 | Low | 5 Ų | 5 | 29.1 Ų | 29.1 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.2 | 178.1 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | I1142 R1143 G1144 W1196 V1197 | I1142-S1146 WeakPolarHBondContact O-CB 3.45Å; I1142-S1146 PolarHBondContact O-N 3.02Å; I1142-S1146 PolarHBondContact O-OG 2.92Å; R1143-S1146 WeakPolarHBondContact CA-OG 3.32Å; R1143-S1146 PolarHBondContact O-OG 3.45Å; R1143-S1146 VanDerWaalsContact O-OG 3.1Å; G1144-S1146 VanDerWaalsContact C-N 3.34Å; G1144-S1146 PolarHBondContact O-N 2.9Å; S1146-W1196 VanDerWaalsContact O-CE3 3.25Å; S1146-V1197 WeakPolarHBondContact OG-CG2 3.21Å |
| 1147 | Q | 77 | Confident | 67.9 | Low | 84 Ų | 84 | 30.9 Ų | 30.9 | 39% | 0.393 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.7 | 174.1 | -76.8 | 175 | 24 | 0 | 0 | 113.7 | R1143 G1144 L1145 | R1143-Q1147 VanDerWaalsContact O-CG 3.3Å; R1143-Q1147 WeakPolarHBondContact O-CG 3.46Å; G1144-Q1147 WeakPolarHBondContact O-CB 3.48Å; G1144-Q1147 PolarHBondContact O-N 2.98Å; L1145-Q1147 PolarHBondContact O-N 3.36Å; L1145-Q1147 VanDerWaalsContact O-N 3.09Å |
| 1148 | V | 70.1 | Confident | 65.9 | Low | 15 Ų | 15 | 34.8 Ų | 34.8 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -44.8 | -171.3 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | P1099 I1102 R1103 L1145 W1196 | P1099-V1148 HydrophobicContact CB-CG2 3.32Å; P1099-V1148 HydrophobicContact CG-CG2 4.02Å; I1102-V1148 HydrophobicContact CB-CG1 4.31Å; I1102-V1148 HydrophobicContact CG2-CB 4.24Å; I1102-V1148 HydrophobicContact CG2-CG1 3.82Å; R1103-V1148 HydrophobicContact CB-CG1 4.12Å; L1145-V1148 PolarHBondContact O-N 3.31Å; L1145-V1148 VanDerWaalsContact O-N 3.11Å; V1148-W1196 WeakPolarHBondContact O-CZ3 3.48Å |
| 1149 | T | 70.5 | Confident | 63.6 | Low | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | trans | -136.4 | 147.4 | -178.2 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | I1102 Q1108 L1145 W1200 | I1102-T1149 HydrophobicContact CG2-CG2 3.96Å; Q1108-T1149 HydrophobicContact CB-CG2 3.28Å; Q1108-T1149 HydrophobicContact CG-CG2 4.4Å; L1145-T1149 PolarHBondContact O-N 3.3Å; L1145-T1149 VanDerWaalsContact O-N 3.12Å; T1149-W1200 PolarHBondContact O-NE1 3.13Å | ||
| 1150 | G | 69.8 | Low | 61.2 | Low | 8 Ų | 8 | 46 Ų | 46 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | trans | -114 | 135.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | F1152 W1196 | G1150-F1152 PolarHBondContact O-N 3.48Å; G1150-F1152 VanDerWaalsContact O-N 3.17Å; G1150-W1196 VanDerWaalsContact CA-CG 3.46Å; G1150-W1196 VanDerWaalsContact N-CD2 3.31Å | ||
| 1151 | P | 64.4 | Low | 58.8 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -62.9 | -18.2 | 175.4 | 21.8 | -28.1 | 0 | 0 | 0 | 112 | W1200 V1203 L1324 | P1151-W1200 HydrophobicContact CG-CD2 4.39Å; P1151-V1203 HydrophobicContact CG-CG2 3.92Å; P1151-L1324 HydrophobicContact CB-CD1 4.24Å |
| 1152 | F | 60.4 | Low | 56.3 | Low | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | trans | -132.1 | 135.4 | -178.4 | -58.2 | -73.9 | 0 | 0 | 0 | 112.4 | G1150 W1202 V1203 F1321 L1324 | G1150-F1152 PolarHBondContact O-N 3.48Å; G1150-F1152 VanDerWaalsContact O-N 3.17Å; F1152-W1202 AromaticContact CD2-CH2 3.96Å; F1152-W1202 HydrophobicContact CD2-CH2 3.96Å; F1152-W1202 AromaticContact CD2-CZ2 3.26Å; F1152-W1202 HydrophobicContact CD2-CZ2 3.26Å; F1152-W1202 HydrophobicContact CE1-CH2 4.49Å; F1152-W1202 AromaticContact CE2-CE2 3.96Å; F1152-W1202 AromaticContact CE2-CH2 3.14Å; F1152-W1202 HydrophobicContact CE2-CH2 3.14Å; F1152-W1202 AromaticContact CE2-CZ2 2.94Å; F1152-W1202 HydrophobicContact CE2-CZ2 2.94Å; F1152-W1202 HydrophobicContact CE2-CZ3 4.29Å; F1152-W1202 HydrophobicContact CG-CZ2 4.2Å; F1152-W1202 AromaticContact CZ-CH2 3.46Å; F1152-W1202 HydrophobicContact CZ-CH2 3.46Å; F1152-W1202 VanDerWaalsContact CZ-CH2 3.46Å; F1152-W1202 AromaticContact CZ-CZ2 3.68Å; F1152-W1202 HydrophobicContact CZ-CZ2 3.68Å; F1152-V1203 HydrophobicContact CE2-CG2 4.04Å; F1152-F1321 HydrophobicContact CD1-CD1 4.08Å; F1152-F1321 AromaticContact CD1-CE1 3.68Å; F1152-F1321 HydrophobicContact CD1-CE1 3.68Å; F1152-F1321 HydrophobicContact CD1-CZ 4.02Å; F1152-F1321 AromaticContact CE1-CD1 3.15Å; F1152-F1321 HydrophobicContact CE1-CD1 3.15Å; F1152-F1321 AromaticContact CE1-CE1 3.12Å; F1152-F1321 HydrophobicContact CE1-CE1 3.12Å; F1152-F1321 AromaticContact CE1-CG 3.96Å; F1152-F1321 HydrophobicContact CE1-CG 3.96Å; F1152-F1321 AromaticContact CE1-CZ 3.89Å; F1152-F1321 HydrophobicContact CE1-CZ 3.89Å; F1152-F1321 AromaticContact CZ-CD1 3.68Å; F1152-F1321 HydrophobicContact CZ-CD1 3.68Å; F1152-F1321 AromaticContact CZ-CE1 3.68Å; F1152-F1321 HydrophobicContact CZ-CE1 3.68Å; F1152-L1324 HydrophobicContact CE2-CD1 4.05Å; F1152-L1324 HydrophobicContact CZ-CB 4.38Å; F1152-L1324 HydrophobicContact CZ-CD1 3.94Å; F1152-L1324 HydrophobicContact CZ-CD2 4.14Å; F1152-L1324 HydrophobicContact CZ-CG 4.38Å | ||
| 1153 | I | 51.8 | Low | 53.7 | Low | 101 Ų | 101 | 61 Ų | 61 | 52% | 0.518 | 32% | 0.321 | S | S | . | . | trans | -129.1 | 108.1 | 163.3 | -58.1 | 173.2 | 0 | 0 | 0 | 105 | W1196 | I1153-W1196 HydrophobicContact CD1-CZ2 4.27Š| ||
| 1154 | T | 42.2 | Very low | 51.2 | Low | 61 Ų | 61 | 65.1 Ų | 65.1 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | trans | -81.3 | 139.3 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 110 | S1156 E1157 | T1154-S1156 PolarHBondContact O-N 2.9Å; T1154-E1157 PolarHBondContact O-N 3.35Å; T1154-E1157 VanDerWaalsContact O-N 3.16Å | ||
| 1155 | D | 38.1 | Very low | 49 | Very low | 87 Ų | 87 | 74.2 Ų | 74.2 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.7 | -17 | -179.9 | -75.1 | -38.9 | 0 | 0 | 0 | 113.9 | E1157 L1158 N1159 | D1155-E1157 PolarHBondContact O-N 3.13Å; D1155-L1158 PolarHBondContact O-N 3.19Å; D1155-N1159 PolarHBondContact O-N 2.79Å |
| 1156 | S | 37.7 | Very low | 46.5 | Very low | 56 Ų | 56 | 83 Ų | 83 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -53.2 | -38 | 174 | 163.5 | 0 | 0 | 0 | 0 | 112.5 | T1154 | T1154-S1156 PolarHBondContact O-N 2.9Å |
| 1157 | E | 35.8 | Very low | 44 | Very low | 75 Ų | 75 | 90.3 Ų | 90.3 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -83.4 | -29.4 | -178.6 | -66.6 | -168.7 | 166.5 | 0 | 0 | 113 | T1154 D1155 | T1154-E1157 PolarHBondContact O-N 3.35Å; T1154-E1157 VanDerWaalsContact O-N 3.16Å; D1155-E1157 PolarHBondContact O-N 3.13Å |
| 1158 | L | 34.2 | Very low | 41.5 | Very low | 94 Ų | 94 | 92 Ų | 92 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.3 | -37.8 | -178.6 | -132.7 | 101.3 | 0 | 0 | 0 | 111.9 | D1155 Q1160 S1161 | D1155-L1158 PolarHBondContact O-N 3.19Å; L1158-Q1160 VanDerWaalsContact C-N 3.29Å; L1158-Q1160 PolarHBondContact O-N 2.8Å; L1158-S1161 PolarHBondContact O-N 3.24Å; L1158-S1161 VanDerWaalsContact O-N 3.1Å; L1158-S1161 PolarHBondContact O-OG 3.12Å |
| 1159 | N | 35.1 | Very low | 39.3 | Very low | 102 Ų | 102 | 98.8 Ų | 98.8 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.7 | -20.7 | -177.7 | -76.1 | -21.9 | 0 | 0 | 0 | 114 | D1155 S1161 F1162 T1163 | D1155-N1159 PolarHBondContact O-N 2.79Å; N1159-S1161 PolarHBondContact O-N 2.99Å; N1159-F1162 PolarHBondContact O-N 3.49Å; N1159-T1163 PolarHBondContact O-N 3.42Å; N1159-T1163 PolarHBondContact O-OG1 3.32Å |
| 1160 | Q | 33.7 | Very low | 37.1 | Very low | 134 Ų | 134 | 107.1 Ų | 107.1 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.5 | -17 | 171.8 | -69.9 | -172.4 | -1.1 | 0 | 0 | 112.8 | L1158 | L1158-Q1160 VanDerWaalsContact C-N 3.29Å; L1158-Q1160 PolarHBondContact O-N 2.8Å |
| 1161 | S | 30.1 | Very low | 35.1 | Very low | 82 Ų | 82 | 114.8 Ų | 114.8 | 57% | 0.573 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -88 | -22.3 | 176.3 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | L1158 N1159 | L1158-S1161 PolarHBondContact O-N 3.24Å; L1158-S1161 VanDerWaalsContact O-N 3.1Å; L1158-S1161 PolarHBondContact O-OG 3.12Å; N1159-S1161 PolarHBondContact O-N 2.99Å |
| 1162 | F | 29.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 70% | 0.702 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -98.8 | -18.3 | -176.3 | -84.9 | -78.8 | 0 | 0 | 0 | 115 | N1159 Q1164 | N1159-F1162 PolarHBondContact O-N 3.49Å; F1162-Q1164 PolarHBondContact O-N 3.32Å |
| 1163 | T | 28.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 61% | 0.607 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -92.8 | 11.6 | -175.8 | 47.5 | 0 | 0 | 0 | 0 | 115 | N1159 | N1159-T1163 PolarHBondContact O-N 3.42Å; N1159-T1163 PolarHBondContact O-OG1 3.32Å |
| 1164 | Q | 27.5 | Very low | 30.2 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 85% | 0.846 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 21.4 | 175.9 | -127.4 | 167.4 | 15.1 | 0 | 0 | 114.7 | F1162 | F1162-Q1164 PolarHBondContact O-N 3.32Š|
| 1165 | K | 31.6 | Very low | 29.3 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 6.5 | 174.1 | -102.1 | -172.6 | 178.2 | -173.9 | 0 | 116.4 | ||
| 1166 | Q | 28.5 | Very low | 28.6 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -133.1 | 30.3 | -179.1 | -82.9 | -171.3 | -16.1 | 0 | 0 | 115.1 | ||
| 1167 | I | 26.9 | Very low | 28.1 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -134.3 | 63.4 | 164.4 | -47.6 | 176.9 | 0 | 0 | 0 | 108.5 | ||||
| 1168 | T | 24.5 | Very low | 27.4 | Very low | 120 Ų | 120 | 153 Ų | 153 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -135.7 | 76.5 | 161 | 52.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1169 | D | 24.6 | Very low | 26.9 | Very low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -168.3 | 140 | 150.1 | -89.5 | -29.3 | 0 | 0 | 0 | 107.9 | ||
| 1170 | E | 25.1 | Very low | 26.4 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | 75.7 | 86.9 | 179.3 | -50.8 | -165.9 | 164.9 | 0 | 0 | 117 | ||||
| 1171 | I | 26.3 | Very low | 26.1 | Very low | 169 Ų | 169 | 151 Ų | 151 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | -163.3 | 114 | 116.3 | -85.1 | 143.1 | 0 | 0 | 0 | 106.8 | |||||
| 1172 | K | 22.5 | Very low | 25.8 | Very low | 195 Ų | 195 | 159.7 Ų | 159.7 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | trans | -56.4 | 125.4 | 174.7 | -77.6 | 171.8 | 173.5 | 171.5 | 0 | 110.1 | T1174 | K1172-T1174 PolarHBondContact O-N 3.14Š| ||
| 1173 | P | 24.9 | Very low | 25.6 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | trans | -82 | 114.6 | 179 | 31.3 | -30 | 0 | 0 | 0 | 109.9 | ||||
| 1174 | T | 26.4 | Very low | 25.5 | Very low | 142 Ų | 142 | 158.6 Ų | 158.6 | 87% | 0.871 | 85% | 0.849 | S | S | * | * | trans | -68.3 | 127.8 | 168.7 | 42.8 | 0 | 0 | 0 | 0 | 110.3 | K1172 | K1172-T1174 PolarHBondContact O-N 3.14Š| ||
| 1175 | K | 23.2 | Very low | 25.4 | Very low | 195 Ų | 195 | 159 Ų | 159 | 85% | 0.848 | 85% | 0.851 | S | S | * | * | trans | -54.5 | 147.7 | 179.8 | -75.6 | 173.5 | 170.8 | 175 | 0 | 114.1 | ||||
| 1176 | K | 23.4 | Very low | 25.1 | Very low | 194 Ų | 194 | 155.4 Ų | 155.4 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | trans | 75.4 | 93.4 | 155.8 | -68.6 | 178.4 | 176.8 | -172.4 | 0 | 118 | ||||
| 1177 | V | 27.8 | Very low | 24.9 | Very low | 150 Ų | 150 | 156.4 Ų | 156.4 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | -149.8 | 100.7 | 117.7 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1178 | E | 21.5 | Very low | 25 | Very low | 198 Ų | 198 | 155 Ų | 155 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | trans | -84.6 | 131.3 | 168.5 | -75.6 | 175.1 | 143.9 | 0 | 0 | 108.9 | ||||
| 1179 | G | 23 | Very low | 25.2 | Very low | 74 Ų | 74 | 154.3 Ų | 154.3 | 76% | 0.763 | 84% | 0.842 | S | S | * | * | trans | 152.5 | 90.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1180 | A | 25.1 | Very low | 25.6 | Very low | 109 Ų | 109 | 152 Ų | 152 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | 66.9 | 91 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1181 | A | 27.7 | Very low | 26.1 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | -164.5 | 84.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G1183 | A1181-G1183 PolarHBondContact O-N 3.21Š| ||
| 1182 | R | 24 | Very low | 26.9 | Very low | 265 Ų | 265 | 147.4 Ų | 147.4 | 100% | 1 | 80% | 0.803 | S | S | * | * | trans | -81.2 | 99.9 | 166.8 | -80.3 | -179.5 | 176.9 | 167.3 | -0.7 | 108.2 | ||||
| 1183 | G | 25.1 | Very low | 28.2 | Very low | 66 Ų | 66 | 144.3 Ų | 144.3 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -133.3 | 116.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1181 E1185 | A1181-G1183 PolarHBondContact O-N 3.21Å; G1183-E1185 PolarHBondContact O-N 3.33Å | ||
| 1184 | N | 25.4 | Very low | 29.7 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -47.1 | 112.4 | -176.7 | -69 | -33.9 | 0 | 0 | 0 | 114.1 | C1186 | N1184-C1186 PolarHBondContact O-N 3.3Š| ||
| 1185 | E | 24.9 | Very low | 31.4 | Very low | 190 Ų | 190 | 137 Ų | 137 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -70.1 | 107.5 | 163.1 | -72.3 | 179.5 | 160 | 0 | 0 | 109.3 | G1183 K1187 | G1183-E1185 PolarHBondContact O-N 3.33Å; E1185-K1187 PolarHBondContact O-N 3.31Å | ||
| 1186 | C | 25.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | trans | -76.2 | 114.5 | -179.3 | -148.6 | 0 | 0 | 0 | 0 | 109.7 | N1184 I1188 | N1184-C1186 PolarHBondContact O-N 3.3Å; C1186-I1188 PolarHBondContact O-N 3.28Å | ||
| 1187 | K | 25.8 | Very low | 36.7 | Very low | 206 Ų | 206 | 121.1 Ų | 121.1 | 90% | 0.896 | 67% | 0.667 | S | S | * | * | trans | -67.6 | 91.4 | 174.5 | -70.9 | 174.9 | 175.8 | 176.2 | 0 | 110.6 | E1185 S1189 | E1185-K1187 PolarHBondContact O-N 3.31Å; K1187-S1189 PolarHBondContact O-N 2.99Å | ||
| 1188 | I | 28.5 | Very low | 39.1 | Very low | 129 Ų | 129 | 114 Ų | 114 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | trans | -85.7 | 84.5 | 167.2 | -56.5 | 170.2 | 0 | 0 | 0 | 107.6 | C1186 | C1186-I1188 PolarHBondContact O-N 3.28Š| ||
| 1189 | S | 28 | Very low | 41.9 | Very low | 104 Ų | 104 | 104.5 Ų | 104.5 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | trans | -113.1 | 98 | 158.6 | 71.2 | 0 | 0 | 0 | 0 | 106.8 | K1187 R1191 | K1187-S1189 PolarHBondContact O-N 2.99Å; S1189-R1191 PolarHBondContact O-N 2.75Å | ||
| 1190 | L | 33.8 | Very low | 44.8 | Very low | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | trans | -52.2 | 130.4 | 172.3 | -81.1 | 135.5 | 0 | 0 | 0 | 108.8 | ||||
| 1191 | R | 34.5 | Very low | 47.6 | Very low | 178 Ų | 178 | 95.8 Ų | 95.8 | 67% | 0.672 | 50% | 0.501 | S | S | * | . | trans | -70.4 | 135.1 | 176.9 | -78.6 | -177.5 | 176.1 | 174.1 | 4.3 | 108.1 | S1189 K1193 E1194 | S1189-R1191 PolarHBondContact O-N 2.75Å; R1191-K1193 PolarHBondContact O-N 3.11Å; R1191-E1194 PolarHBondContact O-N 3.11Å | ||
| 1192 | P | 43.8 | Very low | 50.3 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -3.6 | -176.9 | -11.9 | 11.1 | 0 | 0 | 0 | 116.6 | S1195 W1196 | P1192-S1195 PolarHBondContact O-OG 2.87Å; P1192-W1196 PolarHBondContact O-NE1 3.3Å |
| 1193 | K | 50.6 | Low | 53.2 | Low | 131 Ų | 131 | 78.3 Ų | 78.3 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -21.8 | 179.8 | -65.9 | -168.2 | 173.2 | -155.4 | 0 | 113.4 | R1191 | R1191-K1193 PolarHBondContact O-N 3.11Š|
| 1194 | E | 56 | Low | 55.9 | Low | 103 Ų | 103 | 75.1 Ų | 75.1 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -31 | 176.2 | -74.4 | 168.6 | 179.8 | 0 | 0 | 110.3 | R1191 W1196 V1197 H1237 | R1191-E1194 PolarHBondContact O-N 3.11Å; E1194-W1196 VanDerWaalsContact C-N 3.29Å; E1194-W1196 PolarHBondContact O-N 3.1Å; E1194-V1197 PolarHBondContact O-N 3.26Å; E1194-H1237 PolarHBondContact O-CD2 2.99Å; E1194-H1237 PolarHBondContact O-NE2 3.39Å |
| 1195 | S | 63 | Low | 58.7 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -35 | 176.7 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | P1192 V1197 G1198 L1240 | P1192-S1195 PolarHBondContact O-OG 2.87Å; S1195-V1197 PolarHBondContact O-N 3.06Å; S1195-V1197 VanDerWaalsContact O-N 3.13Å; S1195-G1198 PolarHBondContact O-N 3.02Å; S1195-G1198 VanDerWaalsContact O-N 3.16Å; S1195-L1240 WeakPolarHBondContact O-CD2 3.36Å |
| 1196 | W | 75.7 | Confident | 61.5 | Low | 39 Ų | 39 | 58.3 Ų | 58.3 | 15% | 0.148 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -17.8 | -178.4 | -62.6 | -14.8 | 0 | 0 | 0 | 115 | S1146 V1148 G1150 I1153 P1192 E1194 G1198 S1199 W1200 | S1146-W1196 VanDerWaalsContact O-CE3 3.25Å; V1148-W1196 WeakPolarHBondContact O-CZ3 3.48Å; G1150-W1196 VanDerWaalsContact CA-CG 3.46Å; G1150-W1196 VanDerWaalsContact N-CD2 3.31Å; I1153-W1196 HydrophobicContact CD1-CZ2 4.27Å; P1192-W1196 PolarHBondContact O-NE1 3.3Å; E1194-W1196 VanDerWaalsContact C-N 3.29Å; E1194-W1196 PolarHBondContact O-N 3.1Å; W1196-G1198 VanDerWaalsContact C-N 3.32Å; W1196-S1199 WeakPolarHBondContact O-CB 3.03Å; W1196-S1199 PolarHBondContact O-N 3.45Å; W1196-W1200 VanDerWaalsContact O-CD1 3.26Å; W1196-W1200 PolarHBondContact O-N 3.38Å; W1196-W1200 VanDerWaalsContact O-N 3.1Å |
| 1197 | V | 81.1 | Confident | 64.2 | Low | 15 Ų | 15 | 53.1 Ų | 53.1 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | I1142 S1146 E1194 S1195 S1199 W1200 L1201 F1233 H1237 | I1142-V1197 HydrophobicContact CG2-CG1 4.12Å; S1146-V1197 WeakPolarHBondContact OG-CG2 3.21Å; E1194-V1197 PolarHBondContact O-N 3.26Å; S1195-V1197 PolarHBondContact O-N 3.06Å; S1195-V1197 VanDerWaalsContact O-N 3.13Å; V1197-S1199 VanDerWaalsContact C-N 3.29Å; V1197-S1199 PolarHBondContact O-N 3.27Å; V1197-W1200 PolarHBondContact O-N 2.9Å; V1197-L1201 HydrophobicContact CG1-CD1 4.18Å; V1197-L1201 WeakPolarHBondContact O-CG 3.39Å; V1197-L1201 PolarHBondContact O-N 3.08Å; V1197-L1201 VanDerWaalsContact O-N 3.07Å; V1197-F1233 HydrophobicContact CG1-CD1 3.55Å; V1197-F1233 HydrophobicContact CG1-CE1 3.59Å; V1197-F1233 HydrophobicContact CG1-CG 4.22Å; V1197-F1233 HydrophobicContact CG1-CZ 4.3Å; V1197-H1237 HydrophobicContact CG1-CB 4.48Å |
| 1198 | G | 77.7 | Confident | 67 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | S1195 W1196 W1200 L1201 W1202 H1237 G1241 | S1195-G1198 PolarHBondContact O-N 3.02Å; S1195-G1198 VanDerWaalsContact O-N 3.16Å; W1196-G1198 VanDerWaalsContact C-N 3.32Å; G1198-W1200 PolarHBondContact O-N 2.98Å; G1198-L1201 WeakPolarHBondContact O-CB 3.35Å; G1198-L1201 PolarHBondContact O-N 3.22Å; G1198-W1202 PolarHBondContact O-N 3.41Å; G1198-H1237 WeakPolarHBondContact CA-O 3.32Å; G1198-G1241 VanDerWaalsContact O-CA 3.29Å; G1198-G1241 WeakPolarHBondContact O-CA 3.41Å |
| 1199 | S | 80 | Confident | 69.5 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 179.3 | -45.7 | 0 | 0 | 0 | 0 | 113.5 | W1196 V1197 W1202 V1203 E1244 | W1196-S1199 WeakPolarHBondContact O-CB 3.03Å; W1196-S1199 PolarHBondContact O-N 3.45Å; V1197-S1199 VanDerWaalsContact C-N 3.29Å; V1197-S1199 PolarHBondContact O-N 3.27Å; S1199-W1202 VanDerWaalsContact O-CD1 3.25Å; S1199-W1202 PolarHBondContact O-NE1 3.5Å; S1199-V1203 VanDerWaalsContact O-CG2 3.24Å; S1199-V1203 WeakPolarHBondContact O-CG2 3.45Å; S1199-V1203 PolarHBondContact O-N 3.1Å; S1199-E1244 WeakPolarHBondContact CA-OE2 3.19Å; S1199-E1244 WeakPolarHBondContact CB-OE2 3.34Å; S1199-E1244 PolarHBondContact N-OE2 3.47Å; S1199-E1244 PolarHBondContact OG-OE1 2.98Å; S1199-E1244 PolarHBondContact OG-OE2 3.16Å |
| 1200 | W | 85.8 | Confident | 72 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.9 | -34.9 | 178.1 | -78.7 | 109.1 | 0 | 0 | 0 | 112.8 | L1113 L1116 I1142 L1145 T1149 P1151 W1196 V1197 G1198 W1202 V1203 T1204 | L1113-W1200 HydrophobicContact CD2-CH2 4.41Å; L1113-W1200 HydrophobicContact CD2-CZ3 4.07Å; L1113-W1200 HydrophobicContact CG-CH2 4.44Å; L1116-W1200 HydrophobicContact CD2-CE3 4.23Å; L1116-W1200 HydrophobicContact CD2-CZ3 4.12Å; I1142-W1200 HydrophobicContact CG2-CB 3.97Å; L1145-W1200 HydrophobicContact CB-CD2 3.82Å; L1145-W1200 HydrophobicContact CB-CE3 4.46Å; L1145-W1200 HydrophobicContact CB-CG 4.02Å; L1145-W1200 HydrophobicContact CB-CZ2 4.09Å; L1145-W1200 HydrophobicContact CD1-CD2 3.98Å; L1145-W1200 HydrophobicContact CD1-CE3 3.77Å; L1145-W1200 HydrophobicContact CD1-CH2 4.38Å; L1145-W1200 HydrophobicContact CD1-CZ3 3.98Å; L1145-W1200 HydrophobicContact CG-CD2 4.5Å; T1149-W1200 PolarHBondContact O-NE1 3.13Å; P1151-W1200 HydrophobicContact CG-CD2 4.39Å; W1196-W1200 VanDerWaalsContact O-CD1 3.26Å; W1196-W1200 PolarHBondContact O-N 3.38Å; W1196-W1200 VanDerWaalsContact O-N 3.1Å; V1197-W1200 PolarHBondContact O-N 2.9Å; G1198-W1200 PolarHBondContact O-N 2.98Å; W1200-W1202 PolarHBondContact O-N 2.86Å; W1200-V1203 HydrophobicContact CE3-CG1 4.36Å; W1200-V1203 HydrophobicContact CZ3-CG1 4.37Å; W1200-V1203 PolarHBondContact O-N 3.46Å; W1200-T1204 WeakPolarHBondContact O-CG2 3.44Å; W1200-T1204 PolarHBondContact O-N 2.98Å; W1200-T1204 PolarHBondContact O-OG1 3.43Å |
| 1201 | L | 83.9 | Confident | 74 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56 | -51.7 | 179.4 | -83.5 | 165.1 | 0 | 0 | 0 | 112 | I1142 V1197 G1198 T1204 S1205 L1229 F1230 F1233 | I1142-L1201 HydrophobicContact CD1-CD2 3.74Å; I1142-L1201 HydrophobicContact CD1-CG 4.34Å; I1142-L1201 HydrophobicContact CG2-CG 4.28Å; V1197-L1201 HydrophobicContact CG1-CD1 4.18Å; V1197-L1201 WeakPolarHBondContact O-CG 3.39Å; V1197-L1201 PolarHBondContact O-N 3.08Å; V1197-L1201 VanDerWaalsContact O-N 3.07Å; G1198-L1201 WeakPolarHBondContact O-CB 3.35Å; G1198-L1201 PolarHBondContact O-N 3.22Å; L1201-T1204 PolarHBondContact O-N 3.31Å; L1201-T1204 PolarHBondContact O-OG1 2.77Å; L1201-S1205 PolarHBondContact O-N 3.17Å; L1201-S1205 VanDerWaalsContact O-N 3.12Å; L1201-S1205 PolarHBondContact O-OG 3.26Å; L1201-L1229 HydrophobicContact CD2-CG 4.3Å; L1201-F1230 HydrophobicContact CB-CE1 4.28Å; L1201-F1230 HydrophobicContact CB-CE2 4.03Å; L1201-F1230 HydrophobicContact CB-CZ 3.81Å; L1201-F1230 HydrophobicContact CD2-CD2 4.12Å; L1201-F1230 HydrophobicContact CD2-CE2 4.13Å; L1201-F1233 HydrophobicContact CD1-CB 4.18Å; L1201-F1233 HydrophobicContact CD1-CD2 3.83Å; L1201-F1233 HydrophobicContact CD1-CE2 4.44Å; L1201-F1233 HydrophobicContact CD1-CG 4.01Å; L1201-F1233 HydrophobicContact CD2-CD2 3.68Å; L1201-F1233 HydrophobicContact CD2-CE2 3.72Å; L1201-F1233 HydrophobicContact CG-CD2 4.22Å; L1201-F1233 HydrophobicContact CG-CE2 4.38Å |
| 1202 | W | 83.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.4 | -34.9 | -179.4 | 69.3 | -99.2 | 0 | 0 | 0 | 112.9 | F1152 G1198 S1199 W1200 T1204 S1205 L1206 E1244 C1245 F1248 L1324 | F1152-W1202 AromaticContact CD2-CH2 3.96Å; F1152-W1202 HydrophobicContact CD2-CH2 3.96Å; F1152-W1202 AromaticContact CD2-CZ2 3.26Å; F1152-W1202 HydrophobicContact CD2-CZ2 3.26Å; F1152-W1202 HydrophobicContact CE1-CH2 4.49Å; F1152-W1202 AromaticContact CE2-CE2 3.96Å; F1152-W1202 AromaticContact CE2-CH2 3.14Å; F1152-W1202 HydrophobicContact CE2-CH2 3.14Å; F1152-W1202 AromaticContact CE2-CZ2 2.94Å; F1152-W1202 HydrophobicContact CE2-CZ2 2.94Å; F1152-W1202 HydrophobicContact CE2-CZ3 4.29Å; F1152-W1202 HydrophobicContact CG-CZ2 4.2Å; F1152-W1202 AromaticContact CZ-CH2 3.46Å; F1152-W1202 HydrophobicContact CZ-CH2 3.46Å; F1152-W1202 VanDerWaalsContact CZ-CH2 3.46Å; F1152-W1202 AromaticContact CZ-CZ2 3.68Å; F1152-W1202 HydrophobicContact CZ-CZ2 3.68Å; G1198-W1202 PolarHBondContact O-N 3.41Å; S1199-W1202 VanDerWaalsContact O-CD1 3.25Å; S1199-W1202 PolarHBondContact O-NE1 3.5Å; W1200-W1202 PolarHBondContact O-N 2.86Å; W1202-T1204 VanDerWaalsContact C-N 3.29Å; W1202-T1204 PolarHBondContact O-N 2.9Å; W1202-S1205 PolarHBondContact O-N 3.07Å; W1202-L1206 HydrophobicContact CE3-CD1 3.37Å; W1202-L1206 HydrophobicContact CE3-CG 4.05Å; W1202-L1206 HydrophobicContact CZ3-CD1 3.32Å; W1202-L1206 HydrophobicContact CZ3-CG 4.44Å; W1202-L1206 WeakPolarHBondContact O-CG 3.42Å; W1202-L1206 PolarHBondContact O-N 3.03Å; W1202-E1244 HydrophobicContact CZ2-CB 4.16Å; W1202-E1244 VanDerWaalsContact NE1-CB 3.25Å; W1202-E1244 PolarHBondContact NE1-OE2 3.36Å; W1202-E1244 VanDerWaalsContact NE1-OE2 3.11Å; W1202-C1245 HydrophobicContact CB-CB 3.63Å; W1202-C1245 HydrophobicContact CD2-CB 3.97Å; W1202-C1245 HydrophobicContact CE3-CB 4.22Å; W1202-C1245 HydrophobicContact CG-CB 3.77Å; W1202-F1248 HydrophobicContact CH2-CB 3.52Å; W1202-F1248 HydrophobicContact CH2-CD1 4.08Å; W1202-F1248 HydrophobicContact CH2-CD2 4.41Å; W1202-F1248 AromaticContact CH2-CG 3.74Å; W1202-F1248 HydrophobicContact CH2-CG 3.74Å; W1202-F1248 HydrophobicContact CZ2-CB 4.35Å; W1202-F1248 HydrophobicContact CZ3-CB 3.8Å; W1202-F1248 AromaticContact CZ3-CD1 3.61Å; W1202-F1248 HydrophobicContact CZ3-CD1 3.61Å; W1202-F1248 HydrophobicContact CZ3-CE1 4.35Å; W1202-F1248 AromaticContact CZ3-CG 3.77Å; W1202-F1248 HydrophobicContact CZ3-CG 3.77Å; W1202-L1324 HydrophobicContact CH2-CD2 3.94Å; W1202-L1324 HydrophobicContact CZ3-CD2 3.82Å |
| 1203 | V | 83.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L1113 L1116 P1151 F1152 S1199 W1200 L1206 V1207 L1324 | L1113-V1203 HydrophobicContact CD2-CG1 3.75Å; L1116-V1203 HydrophobicContact CD2-CG1 3.96Å; P1151-V1203 HydrophobicContact CG-CG2 3.92Å; F1152-V1203 HydrophobicContact CE2-CG2 4.04Å; S1199-V1203 VanDerWaalsContact O-CG2 3.24Å; S1199-V1203 WeakPolarHBondContact O-CG2 3.45Å; S1199-V1203 PolarHBondContact O-N 3.1Å; W1200-V1203 HydrophobicContact CE3-CG1 4.36Å; W1200-V1203 HydrophobicContact CZ3-CG1 4.37Å; W1200-V1203 PolarHBondContact O-N 3.46Å; V1203-L1206 PolarHBondContact O-N 3.37Å; V1203-V1207 WeakPolarHBondContact O-CG2 3.41Å; V1203-V1207 PolarHBondContact O-N 3.13Å; V1203-V1207 VanDerWaalsContact O-N 3.11Å; V1203-L1324 HydrophobicContact CG1-CD1 4.01Å; V1203-L1324 HydrophobicContact CG2-CD1 3.75Å; V1203-L1324 HydrophobicContact CG2-CD2 4.42Å |
| 1204 | T | 83.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 174.2 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | L1116 I1142 W1200 L1201 W1202 L1206 V1207 F1208 | L1116-T1204 HydrophobicContact CD1-CG2 3.33Å; L1116-T1204 HydrophobicContact CD2-CG2 3.81Å; L1116-T1204 HydrophobicContact CG-CG2 4.2Å; I1142-T1204 HydrophobicContact CD1-CG2 3.82Å; I1142-T1204 HydrophobicContact CG1-CG2 3.86Å; W1200-T1204 WeakPolarHBondContact O-CG2 3.44Å; W1200-T1204 PolarHBondContact O-N 2.98Å; W1200-T1204 PolarHBondContact O-OG1 3.43Å; L1201-T1204 PolarHBondContact O-N 3.31Å; L1201-T1204 PolarHBondContact O-OG1 2.77Å; W1202-T1204 VanDerWaalsContact C-N 3.29Å; W1202-T1204 PolarHBondContact O-N 2.9Å; T1204-L1206 VanDerWaalsContact C-N 3.34Å; T1204-L1206 PolarHBondContact O-N 3.05Å; T1204-V1207 PolarHBondContact O-N 3.37Å; T1204-F1208 VanDerWaalsContact O-CD2 3.3Å; T1204-F1208 WeakPolarHBondContact O-CD2 3.42Å; T1204-F1208 PolarHBondContact O-N 3.4Å |
| 1205 | S | 84.2 | Confident | 79.5 | Confident | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 176.9 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | L1201 W1202 V1207 F1208 L1209 F1230 | L1201-S1205 PolarHBondContact O-N 3.17Å; L1201-S1205 VanDerWaalsContact O-N 3.12Å; L1201-S1205 PolarHBondContact O-OG 3.26Å; W1202-S1205 PolarHBondContact O-N 3.07Å; S1205-V1207 PolarHBondContact O-N 3Å; S1205-F1208 PolarHBondContact O-N 3.36Å; S1205-L1209 WeakPolarHBondContact O-CB 3.4Å; S1205-L1209 WeakPolarHBondContact O-CG 3.11Å; S1205-L1209 PolarHBondContact O-N 3.42Å; S1205-F1230 WeakPolarHBondContact OG-CE2 3.49Å |
| 1206 | L | 82.5 | Confident | 80.1 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 178.6 | -70.8 | -176.9 | 0 | 0 | 0 | 112.5 | W1202 V1203 T1204 F1208 L1209 N1210 F1248 I1328 L1359 T1363 | W1202-L1206 HydrophobicContact CE3-CD1 3.37Å; W1202-L1206 HydrophobicContact CE3-CG 4.05Å; W1202-L1206 HydrophobicContact CZ3-CD1 3.32Å; W1202-L1206 HydrophobicContact CZ3-CG 4.44Å; W1202-L1206 WeakPolarHBondContact O-CG 3.42Å; W1202-L1206 PolarHBondContact O-N 3.03Å; V1203-L1206 PolarHBondContact O-N 3.37Å; T1204-L1206 VanDerWaalsContact C-N 3.34Å; T1204-L1206 PolarHBondContact O-N 3.05Å; L1206-F1208 VanDerWaalsContact C-N 3.33Å; L1206-F1208 PolarHBondContact O-N 3.1Å; L1206-L1209 PolarHBondContact O-N 3.21Å; L1206-N1210 VanDerWaalsContact O-CB 3.29Å; L1206-N1210 WeakPolarHBondContact O-CB 3.29Å; L1206-N1210 PolarHBondContact O-N 3.42Å; L1206-F1248 HydrophobicContact CD1-CD1 3.54Å; L1206-F1248 HydrophobicContact CD1-CE1 3.59Å; L1206-I1328 HydrophobicContact CB-CD1 4.1Å; L1206-I1328 HydrophobicContact CD1-CD1 3.98Å; L1206-L1359 HydrophobicContact CD2-CD1 4.27Å; L1206-L1359 HydrophobicContact CD2-CG 4.39Å; L1206-T1363 HydrophobicContact CD2-CG2 3.2Å |
| 1207 | V | 82.1 | Confident | 80 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 178 | 179 | 0 | 0 | 0 | 0 | 110.7 | L1116 Y1117 V1120 V1203 T1204 S1205 K1211 I1328 | L1116-V1207 HydrophobicContact CD2-CG2 4.34Å; Y1117-V1207 HydrophobicContact CD2-CG1 4.1Å; V1120-V1207 HydrophobicContact CB-CG1 4.2Å; V1120-V1207 HydrophobicContact CG1-CG1 4.12Å; V1120-V1207 HydrophobicContact CG2-CG1 3.97Å; V1203-V1207 WeakPolarHBondContact O-CG2 3.41Å; V1203-V1207 PolarHBondContact O-N 3.13Å; V1203-V1207 VanDerWaalsContact O-N 3.11Å; T1204-V1207 PolarHBondContact O-N 3.37Å; S1205-V1207 PolarHBondContact O-N 3Å; V1207-K1211 PolarHBondContact O-N 2.89Å; V1207-I1328 HydrophobicContact CG2-CG1 4.44Å |
| 1208 | F | 84.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 174.7 | -91.5 | -79.6 | 0 | 0 | 0 | 113.2 | V1120 F1123 Y1138 T1204 S1205 L1206 W1213 V1222 F1225 L1226 | V1120-F1208 HydrophobicContact CB-CZ 4.41Å; V1120-F1208 HydrophobicContact CG1-CD1 3.99Å; V1120-F1208 HydrophobicContact CG1-CD2 4.38Å; V1120-F1208 HydrophobicContact CG1-CE1 4.03Å; V1120-F1208 HydrophobicContact CG1-CE2 4.45Å; V1120-F1208 HydrophobicContact CG1-CG 4.14Å; V1120-F1208 HydrophobicContact CG1-CZ 4.26Å; V1120-F1208 HydrophobicContact CG2-CD2 3.89Å; V1120-F1208 HydrophobicContact CG2-CE2 3.6Å; V1120-F1208 HydrophobicContact CG2-CG 4.46Å; V1120-F1208 HydrophobicContact CG2-CZ 3.92Å; F1123-F1208 HydrophobicContact CB-CE1 4.14Å; F1123-F1208 HydrophobicContact CD1-CE1 4.38Å; F1123-F1208 AromaticContact CD2-CE1 3.59Å; F1123-F1208 HydrophobicContact CD2-CE1 3.59Å; F1123-F1208 AromaticContact CD2-CZ 3.82Å; F1123-F1208 HydrophobicContact CD2-CZ 3.82Å; F1123-F1208 AromaticContact CE2-CE1 3.97Å; F1123-F1208 HydrophobicContact CE2-CE1 3.97Å; F1123-F1208 HydrophobicContact CE2-CZ 4.25Å; F1123-F1208 AromaticContact CG-CE1 3.81Å; F1123-F1208 HydrophobicContact CG-CE1 3.81Å; F1123-F1208 HydrophobicContact CG-CZ 4.38Å; Y1138-F1208 HydrophobicContact CD1-CE2 4.22Å; Y1138-F1208 HydrophobicContact CD1-CZ 4.32Å; Y1138-F1208 AromaticContact CE1-CE2 3.8Å; Y1138-F1208 HydrophobicContact CE1-CE2 3.8Å; Y1138-F1208 AromaticContact CE1-CZ 3.6Å; Y1138-F1208 HydrophobicContact CE1-CZ 3.6Å; Y1138-F1208 AromaticContact CZ-CZ 3.78Å; T1204-F1208 VanDerWaalsContact O-CD2 3.3Å; T1204-F1208 WeakPolarHBondContact O-CD2 3.42Å; T1204-F1208 PolarHBondContact O-N 3.4Å; S1205-F1208 PolarHBondContact O-N 3.36Å; L1206-F1208 VanDerWaalsContact C-N 3.33Å; L1206-F1208 PolarHBondContact O-N 3.1Å; F1208-W1213 HydrophobicContact CD1-CH2 4.2Å; F1208-W1213 AromaticContact CD1-CZ2 3.61Å; F1208-W1213 HydrophobicContact CD1-CZ2 3.61Å; F1208-W1213 HydrophobicContact CE1-CH2 4.09Å; F1208-W1213 AromaticContact CE1-CZ2 3.97Å; F1208-W1213 HydrophobicContact CE1-CZ2 3.97Å; F1208-W1213 PolarHBondContact O-NE1 3.31Å; F1208-V1222 HydrophobicContact CB-CG1 4.06Å; F1208-V1222 HydrophobicContact CD1-CG1 3.96Å; F1208-V1222 HydrophobicContact CD1-CG2 4.27Å; F1208-V1222 HydrophobicContact CG-CG1 4.39Å; F1208-F1225 HydrophobicContact CE1-CE1 4.34Å; F1208-F1225 HydrophobicContact CE2-CE1 4.05Å; F1208-F1225 HydrophobicContact CZ-CD1 4.46Å; F1208-F1225 AromaticContact CZ-CE1 3.82Å; F1208-F1225 HydrophobicContact CZ-CE1 3.82Å; F1208-L1226 HydrophobicContact CB-CD1 3.97Å; F1208-L1226 HydrophobicContact CB-CD2 4.14Å; F1208-L1226 HydrophobicContact CB-CG 4.45Å; F1208-L1226 HydrophobicContact CD2-CD2 3.85Å; F1208-L1226 HydrophobicContact CG-CD2 4.06Å |
| 1209 | L | 81 | Confident | 79.6 | Confident | 28 Ų | 28 | 39.6 Ų | 39.6 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.9 | -27.1 | -177.4 | -69.1 | 171.5 | 0 | 0 | 0 | 113.3 | S1205 L1206 L1226 L1359 R1362 T1363 F1366 | S1205-L1209 WeakPolarHBondContact O-CB 3.4Å; S1205-L1209 WeakPolarHBondContact O-CG 3.11Å; S1205-L1209 PolarHBondContact O-N 3.42Å; L1206-L1209 PolarHBondContact O-N 3.21Å; L1209-L1226 HydrophobicContact CD2-CD1 4.3Å; L1209-L1226 HydrophobicContact CG-CD1 4.2Å; L1209-L1359 HydrophobicContact CB-CD1 4.24Å; L1209-R1362 HydrophobicContact CD2-CB 4.44Å; L1209-R1362 PolarHBondContact O-NH1 3.21Å; L1209-T1363 HydrophobicContact CD1-CG2 3.7Å; L1209-F1366 HydrophobicContact CD1-CB 4.1Å; L1209-F1366 HydrophobicContact CD1-CG 4.41Å |
| 1210 | N | 81 | Confident | 79.5 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -79.6 | -28 | 176.7 | -160.1 | 46.5 | 0 | 0 | 0 | 112.7 | L1206 N1212 I1328 L1359 | L1206-N1210 VanDerWaalsContact O-CB 3.29Å; L1206-N1210 WeakPolarHBondContact O-CB 3.29Å; L1206-N1210 PolarHBondContact O-N 3.42Å; N1210-N1212 PolarHBondContact O-N 3.08Å; N1210-I1328 HydrophobicContact CB-CG2 3.94Å; N1210-I1328 WeakPolarHBondContact ND2-CG2 3.38Å; N1210-I1328 PolarHBondContact ND2-O 3.2Å; N1210-L1359 HydrophobicContact CB-CD1 3.92Å |
| 1211 | K | 76.5 | Confident | 79.3 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -68.2 | 131.6 | -178 | -172.1 | 178.7 | 173.8 | -147.7 | 0 | 111.6 | V1120 I1121 V1207 W1213 | V1120-K1211 HydrophobicContact CG1-CD 3.96Å; V1120-K1211 PolarHBondContact O-NZ 3.36Å; I1121-K1211 VanDerWaalsContact CA-NZ 3.29Å; I1121-K1211 PolarHBondContact O-NZ 3.06Å; V1207-K1211 PolarHBondContact O-N 2.89Å; K1211-W1213 HydrophobicContact CB-CZ2 4.38Å; K1211-W1213 HydrophobicContact CD-CD2 4.4Å; K1211-W1213 HydrophobicContact CD-CE3 4.44Å; K1211-W1213 HydrophobicContact CD-CH2 3.83Å; K1211-W1213 HydrophobicContact CD-CZ2 3.72Å; K1211-W1213 HydrophobicContact CD-CZ3 4.21Å; K1211-W1213 HydrophobicContact CG-CZ2 4.42Å; K1211-W1213 VanDerWaalsContact O-CD1 3.24Å; K1211-W1213 PolarHBondContact O-N 3.29Å; K1211-W1213 PolarHBondContact O-NE1 3.14Å |
| 1212 | N | 73.2 | Confident | 79.2 | Confident | 117 Ų | 117 | 47.8 Ų | 47.8 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | trans | -81.6 | 105.9 | 172.2 | -70.7 | -28.5 | 0 | 0 | 0 | 110.2 | N1210 | N1210-N1212 PolarHBondContact O-N 3.08Š| ||
| 1213 | W | 78.7 | Confident | 79.1 | Confident | 45 Ų | 45 | 49 Ų | 49 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | trans | -80.9 | 119.3 | 178.6 | -60.9 | 95 | 0 | 0 | 0 | 110.4 | V1120 F1123 F1208 K1211 I1215 V1218 A1219 V1222 | V1120-W1213 HydrophobicContact CG1-CH2 4.18Å; V1120-W1213 HydrophobicContact CG1-CZ2 4.1Å; V1120-W1213 WeakPolarHBondContact O-CH2 3.32Å; F1123-W1213 HydrophobicContact CB-CH2 3.54Å; F1123-W1213 HydrophobicContact CB-CZ3 3.84Å; F1123-W1213 AromaticContact CD1-CH2 3.87Å; F1123-W1213 HydrophobicContact CD1-CH2 3.87Å; F1123-W1213 AromaticContact CD1-CZ3 3.94Å; F1123-W1213 HydrophobicContact CD1-CZ3 3.94Å; F1123-W1213 AromaticContact CG-CH2 3.99Å; F1123-W1213 HydrophobicContact CG-CH2 3.99Å; F1123-W1213 HydrophobicContact CG-CZ3 4.34Å; F1208-W1213 HydrophobicContact CD1-CH2 4.2Å; F1208-W1213 AromaticContact CD1-CZ2 3.61Å; F1208-W1213 HydrophobicContact CD1-CZ2 3.61Å; F1208-W1213 HydrophobicContact CE1-CH2 4.09Å; F1208-W1213 AromaticContact CE1-CZ2 3.97Å; F1208-W1213 HydrophobicContact CE1-CZ2 3.97Å; F1208-W1213 PolarHBondContact O-NE1 3.31Å; K1211-W1213 HydrophobicContact CB-CZ2 4.38Å; K1211-W1213 HydrophobicContact CD-CD2 4.4Å; K1211-W1213 HydrophobicContact CD-CE3 4.44Å; K1211-W1213 HydrophobicContact CD-CH2 3.83Å; K1211-W1213 HydrophobicContact CD-CZ2 3.72Å; K1211-W1213 HydrophobicContact CD-CZ3 4.21Å; K1211-W1213 HydrophobicContact CG-CZ2 4.42Å; K1211-W1213 VanDerWaalsContact O-CD1 3.24Å; K1211-W1213 PolarHBondContact O-N 3.29Å; K1211-W1213 PolarHBondContact O-NE1 3.14Å; W1213-I1215 VanDerWaalsContact C-N 3.26Å; W1213-I1215 PolarHBondContact O-N 2.81Å; W1213-V1218 HydrophobicContact CD2-CG1 4.23Å; W1213-V1218 HydrophobicContact CE3-CB 4.49Å; W1213-V1218 HydrophobicContact CE3-CG1 3.56Å; W1213-V1218 HydrophobicContact CZ3-CG1 3.84Å; W1213-A1219 HydrophobicContact CB-CB 3.96Å; W1213-A1219 HydrophobicContact CG-CB 4.42Å; W1213-V1222 HydrophobicContact CD2-CG2 4.36Å; W1213-V1222 HydrophobicContact CZ2-CG2 3.99Å | ||
| 1214 | Q | 73.2 | Confident | 79 | Confident | 200 Ų | 200 | 52.5 Ų | 52.5 | 94% | 0.935 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -69.2 | -24.7 | 179.2 | -68.1 | -178.5 | -17.1 | 0 | 0 | 113.3 | ||
| 1215 | I | 74.8 | Confident | 79 | Confident | 90 Ų | 90 | 53.1 Ų | 53.1 | 46% | 0.462 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -107.8 | 114.6 | -174.6 | -53.5 | 166.1 | 0 | 0 | 0 | 108.1 | W1213 S1217 V1218 A1219 | W1213-I1215 VanDerWaalsContact C-N 3.26Å; W1213-I1215 PolarHBondContact O-N 2.81Å; I1215-S1217 VanDerWaalsContact C-N 3.32Å; I1215-S1217 VanDerWaalsContact CG2-OG 3.29Å; I1215-S1217 WeakPolarHBondContact CG2-OG 3.25Å; I1215-S1217 PolarHBondContact O-N 3.19Å; I1215-V1218 HydrophobicContact CB-CB 4.27Å; I1215-V1218 HydrophobicContact CB-CG2 3.87Å; I1215-V1218 HydrophobicContact CD1-CG2 4.3Å; I1215-V1218 HydrophobicContact CG2-CG2 3.92Å; I1215-V1218 WeakPolarHBondContact O-CB 3.32Å; I1215-V1218 PolarHBondContact O-N 3.13Å; I1215-V1218 VanDerWaalsContact O-N 3.09Å; I1215-A1219 PolarHBondContact O-N 3.24Å; I1215-A1219 VanDerWaalsContact O-N 3.14Å |
| 1216 | Q | 75.4 | Confident | 79.1 | Confident | 150 Ų | 150 | 52.9 Ų | 52.9 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -56.4 | -42.6 | -176.7 | -163.6 | 90.4 | 13.6 | 0 | 0 | 112.4 | V1218 A1219 D1220 | Q1216-V1218 PolarHBondContact O-N 3.38Å; Q1216-A1219 WeakPolarHBondContact O-CA 3.39Å; Q1216-A1219 WeakPolarHBondContact O-CB 3.28Å; Q1216-A1219 PolarHBondContact O-N 3.2Å; Q1216-D1220 PolarHBondContact O-N 3.47Å |
| 1217 | S | 73 | Confident | 79.1 | Confident | 68 Ų | 68 | 54 Ų | 54 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -34.1 | 179.2 | 58.7 | 0 | 0 | 0 | 0 | 113 | I1215 E1221 | I1215-S1217 VanDerWaalsContact C-N 3.32Å; I1215-S1217 VanDerWaalsContact CG2-OG 3.29Å; I1215-S1217 WeakPolarHBondContact CG2-OG 3.25Å; I1215-S1217 PolarHBondContact O-N 3.19Å; S1217-E1221 PolarHBondContact O-N 3.11Å |
| 1218 | V | 77.3 | Confident | 79.1 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.1 | -39.8 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | F1123 A1124 W1213 I1215 Q1216 D1220 E1221 V1222 | F1123-V1218 HydrophobicContact CD1-CG1 3.62Å; F1123-V1218 HydrophobicContact CE1-CG1 3.87Å; A1124-V1218 HydrophobicContact CB-CG1 4.28Å; A1124-V1218 HydrophobicContact CB-CG2 4.14Å; W1213-V1218 HydrophobicContact CD2-CG1 4.23Å; W1213-V1218 HydrophobicContact CE3-CB 4.49Å; W1213-V1218 HydrophobicContact CE3-CG1 3.56Å; W1213-V1218 HydrophobicContact CZ3-CG1 3.84Å; I1215-V1218 HydrophobicContact CB-CB 4.27Å; I1215-V1218 HydrophobicContact CB-CG2 3.87Å; I1215-V1218 HydrophobicContact CD1-CG2 4.3Å; I1215-V1218 HydrophobicContact CG2-CG2 3.92Å; I1215-V1218 WeakPolarHBondContact O-CB 3.32Å; I1215-V1218 PolarHBondContact O-N 3.13Å; I1215-V1218 VanDerWaalsContact O-N 3.09Å; Q1216-V1218 PolarHBondContact O-N 3.38Å; V1218-D1220 VanDerWaalsContact C-N 3.31Å; V1218-D1220 PolarHBondContact O-N 2.67Å; V1218-E1221 PolarHBondContact O-N 3.41Å; V1218-V1222 WeakPolarHBondContact O-CG2 3.35Å; V1218-V1222 PolarHBondContact O-N 3.22Å |
| 1219 | A | 74 | Confident | 79.1 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1213 I1215 Q1216 E1221 V1222 | W1213-A1219 HydrophobicContact CB-CB 3.96Å; W1213-A1219 HydrophobicContact CG-CB 4.42Å; I1215-A1219 PolarHBondContact O-N 3.24Å; I1215-A1219 VanDerWaalsContact O-N 3.14Å; Q1216-A1219 WeakPolarHBondContact O-CA 3.39Å; Q1216-A1219 WeakPolarHBondContact O-CB 3.28Å; Q1216-A1219 PolarHBondContact O-N 3.2Å; A1219-E1221 VanDerWaalsContact C-N 3.32Å; A1219-E1221 PolarHBondContact O-N 3.23Å; A1219-V1222 PolarHBondContact O-N 2.97Å |
| 1220 | D | 78 | Confident | 79.2 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.5 | -31.3 | 178.2 | -64.9 | -26.3 | 0 | 0 | 0 | 112.4 | Q1216 V1218 P1224 | Q1216-D1220 PolarHBondContact O-N 3.47Å; V1218-D1220 VanDerWaalsContact C-N 3.31Å; V1218-D1220 PolarHBondContact O-N 2.67Å; D1220-P1224 WeakPolarHBondContact O-CD 3.43Å |
| 1221 | E | 79.9 | Confident | 79.3 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -74.4 | -25 | 176 | -76.4 | -171.9 | -174.8 | 0 | 0 | 113.9 | T1128 R1134 S1217 V1218 A1219 G1223 P1224 F1225 | T1128-E1221 WeakPolarHBondContact CB-OE1 3.42Å; T1128-E1221 WeakPolarHBondContact CG2-OE1 3.4Å; R1134-E1221 IonicContact CZ-OE2 3.02Å; R1134-E1221 IonicContact NH1-OE2 3.52Å; R1134-E1221 PolarHBondContact NH1-OE2 2.99Å; R1134-E1221 IonicContact NH2-OE2 3.96Å; R1134-E1221 PolarHBondContact NH2-OE2 3.23Å; S1217-E1221 PolarHBondContact O-N 3.11Å; V1218-E1221 PolarHBondContact O-N 3.41Å; A1219-E1221 VanDerWaalsContact C-N 3.32Å; A1219-E1221 PolarHBondContact O-N 3.23Å; E1221-G1223 PolarHBondContact O-N 3.43Å; E1221-P1224 WeakPolarHBondContact O-CD 3.4Å; E1221-F1225 WeakPolarHBondContact O-CB 3.41Å; E1221-F1225 PolarHBondContact O-N 3.31Å |
| 1222 | V | 82.2 | Confident | 79.5 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | -173.8 | 170 | 0 | 0 | 0 | 0 | 111.6 | F1123 F1208 W1213 V1218 A1219 F1225 L1226 | F1123-V1222 HydrophobicContact CD1-CG2 4.41Å; F1123-V1222 HydrophobicContact CE1-CG2 3.9Å; F1123-V1222 HydrophobicContact CZ-CG2 4.42Å; F1208-V1222 HydrophobicContact CB-CG1 4.06Å; F1208-V1222 HydrophobicContact CD1-CG1 3.96Å; F1208-V1222 HydrophobicContact CD1-CG2 4.27Å; F1208-V1222 HydrophobicContact CG-CG1 4.39Å; W1213-V1222 HydrophobicContact CD2-CG2 4.36Å; W1213-V1222 HydrophobicContact CZ2-CG2 3.99Å; V1218-V1222 WeakPolarHBondContact O-CG2 3.35Å; V1218-V1222 PolarHBondContact O-N 3.22Å; A1219-V1222 PolarHBondContact O-N 2.97Å; V1222-F1225 PolarHBondContact O-N 2.99Å; V1222-L1226 HydrophobicContact CG1-CD1 3.93Å; V1222-L1226 HydrophobicContact CG1-CG 4.25Å; V1222-L1226 WeakPolarHBondContact O-CG 3.44Å; V1222-L1226 PolarHBondContact O-N 3.15Å |
| 1223 | G | 81.8 | Confident | 80 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59 | -59.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1221 F1225 L1226 I1227 | E1221-G1223 PolarHBondContact O-N 3.43Å; G1223-F1225 VanDerWaalsContact C-N 3.31Å; G1223-F1225 PolarHBondContact O-N 3.46Å; G1223-L1226 PolarHBondContact O-N 3.23Å; G1223-I1227 WeakPolarHBondContact O-CG1 3.47Å; G1223-I1227 PolarHBondContact O-N 3.26Å |
| 1224 | P | 81.5 | Confident | 79.8 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.9 | -42.2 | 175.3 | -25.4 | 34 | 0 | 0 | 0 | 113 | D1220 E1221 L1226 I1227 E1228 | D1220-P1224 WeakPolarHBondContact O-CD 3.43Å; E1221-P1224 WeakPolarHBondContact O-CD 3.4Å; P1224-L1226 PolarHBondContact O-N 3.26Å; P1224-I1227 PolarHBondContact O-N 2.84Å; P1224-E1228 PolarHBondContact O-N 2.9Å |
| 1225 | F | 84.7 | Confident | 79.9 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 179 | 169.1 | -101.1 | 0 | 0 | 0 | 112.8 | F1123 R1134 L1135 Y1138 F1208 E1221 V1222 G1223 I1227 E1228 L1229 | F1123-F1225 AromaticContact CE2-CD1 3.67Å; F1123-F1225 HydrophobicContact CE2-CD1 3.67Å; F1123-F1225 HydrophobicContact CE2-CD2 4.13Å; F1123-F1225 AromaticContact CE2-CE1 3.81Å; F1123-F1225 HydrophobicContact CE2-CE1 3.81Å; F1123-F1225 HydrophobicContact CE2-CE2 4.24Å; F1123-F1225 AromaticContact CE2-CG 3.85Å; F1123-F1225 HydrophobicContact CE2-CG 3.85Å; F1123-F1225 HydrophobicContact CE2-CZ 4.1Å; F1123-F1225 HydrophobicContact CZ-CB 4.25Å; F1123-F1225 HydrophobicContact CZ-CD1 4.04Å; F1123-F1225 AromaticContact CZ-CG 3.99Å; F1123-F1225 HydrophobicContact CZ-CG 3.99Å; R1134-F1225 HydrophobicContact CB-CE2 4.41Å; R1134-F1225 HydrophobicContact CG-CE2 4.15Å; L1135-F1225 HydrophobicContact CD1-CE2 4.46Å; Y1138-F1225 HydrophobicContact CD1-CZ 4.27Å; Y1138-F1225 HydrophobicContact CD2-CE1 4.38Å; Y1138-F1225 HydrophobicContact CD2-CE2 4.08Å; Y1138-F1225 AromaticContact CD2-CZ 3.45Å; Y1138-F1225 HydrophobicContact CD2-CZ 3.45Å; Y1138-F1225 VanDerWaalsContact CD2-CZ 3.45Å; Y1138-F1225 HydrophobicContact CE2-CZ 4.03Å; Y1138-F1225 HydrophobicContact CG-CE1 4.37Å; Y1138-F1225 AromaticContact CG-CZ 3.59Å; Y1138-F1225 HydrophobicContact CG-CZ 3.59Å; F1208-F1225 HydrophobicContact CE1-CE1 4.34Å; F1208-F1225 HydrophobicContact CE2-CE1 4.05Å; F1208-F1225 HydrophobicContact CZ-CD1 4.46Å; F1208-F1225 AromaticContact CZ-CE1 3.82Å; F1208-F1225 HydrophobicContact CZ-CE1 3.82Å; E1221-F1225 WeakPolarHBondContact O-CB 3.41Å; E1221-F1225 PolarHBondContact O-N 3.31Å; V1222-F1225 PolarHBondContact O-N 2.99Å; G1223-F1225 VanDerWaalsContact C-N 3.31Å; G1223-F1225 PolarHBondContact O-N 3.46Å; F1225-I1227 VanDerWaalsContact C-N 3.29Å; F1225-I1227 PolarHBondContact O-N 3.29Å; F1225-E1228 PolarHBondContact O-N 3.1Å; F1225-L1229 HydrophobicContact CE1-CD2 4.27Å; F1225-L1229 HydrophobicContact CZ-CD2 4.37Å; F1225-L1229 WeakPolarHBondContact O-CB 3.47Å; F1225-L1229 PolarHBondContact O-N 3.29Å |
| 1226 | L | 84.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -35.1 | 178.3 | -71.9 | 176.9 | 0 | 0 | 0 | 111.9 | F1208 L1209 V1222 G1223 P1224 L1229 F1230 F1366 | F1208-L1226 HydrophobicContact CB-CD1 3.97Å; F1208-L1226 HydrophobicContact CB-CD2 4.14Å; F1208-L1226 HydrophobicContact CB-CG 4.45Å; F1208-L1226 HydrophobicContact CD2-CD2 3.85Å; F1208-L1226 HydrophobicContact CG-CD2 4.06Å; L1209-L1226 HydrophobicContact CD2-CD1 4.3Å; L1209-L1226 HydrophobicContact CG-CD1 4.2Å; V1222-L1226 HydrophobicContact CG1-CD1 3.93Å; V1222-L1226 HydrophobicContact CG1-CG 4.25Å; V1222-L1226 WeakPolarHBondContact O-CG 3.44Å; V1222-L1226 PolarHBondContact O-N 3.15Å; G1223-L1226 PolarHBondContact O-N 3.23Å; P1224-L1226 PolarHBondContact O-N 3.26Å; L1226-L1229 HydrophobicContact CD2-CD2 4.45Å; L1226-L1229 PolarHBondContact O-N 2.92Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.03Å; L1226-F1230 PolarHBondContact O-N 2.83Å; L1226-F1366 HydrophobicContact CB-CD2 4.17Å; L1226-F1366 HydrophobicContact CB-CE2 3.36Å; L1226-F1366 HydrophobicContact CB-CZ 3.76Å; L1226-F1366 HydrophobicContact CD1-CD2 4.48Å; L1226-F1366 HydrophobicContact CD1-CE2 4.33Å; L1226-F1366 HydrophobicContact CG-CE2 4.49Å |
| 1227 | I | 82.8 | Confident | 79.8 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -48.8 | 176.1 | -65.2 | 169.9 | 0 | 0 | 0 | 110.1 | G1223 P1224 F1225 L1229 F1230 C1231 F1366 A1369 L1370 N1373 | G1223-I1227 WeakPolarHBondContact O-CG1 3.47Å; G1223-I1227 PolarHBondContact O-N 3.26Å; P1224-I1227 PolarHBondContact O-N 2.84Å; F1225-I1227 VanDerWaalsContact C-N 3.29Å; F1225-I1227 PolarHBondContact O-N 3.29Å; I1227-L1229 VanDerWaalsContact C-N 3.27Å; I1227-L1229 PolarHBondContact O-N 2.9Å; I1227-F1230 PolarHBondContact O-N 3.4Å; I1227-C1231 WeakPolarHBondContact O-CB 3.42Å; I1227-C1231 PolarHBondContact O-N 3.22Å; I1227-C1231 PolarHBondContact O-SG 3.37Å; I1227-C1231 VanDerWaalsContact O-SG 3.4Å; I1227-F1366 HydrophobicContact CG1-CD2 4.36Å; I1227-F1366 HydrophobicContact CG1-CE2 3.83Å; I1227-A1369 HydrophobicContact CD1-CB 3.89Å; I1227-L1370 HydrophobicContact CG2-CD1 4.2Å; I1227-N1373 HydrophobicContact CG2-CB 3.96Å; I1227-N1373 WeakPolarHBondContact CG2-ND2 3.49Å |
| 1228 | E | 82.4 | Confident | 80 | Confident | 89 Ų | 89 | 34.2 Ų | 34.2 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59 | -39.6 | 175 | -69.9 | -174.6 | 176.8 | 0 | 0 | 111.6 | L1135 P1224 F1225 C1231 H1232 | L1135-E1228 VanDerWaalsContact CD1-C 3.44Å; L1135-E1228 HydrophobicContact CD1-CB 3.45Å; L1135-E1228 VanDerWaalsContact CD1-CB 3.45Å; L1135-E1228 HydrophobicContact CD2-CB 4.48Å; P1224-E1228 PolarHBondContact O-N 2.9Å; F1225-E1228 PolarHBondContact O-N 3.1Å; E1228-C1231 CarbonylContact O-C 3.58Å; E1228-C1231 PolarHBondContact O-N 3.31Å; E1228-H1232 PolarHBondContact O-N 3.22Å |
| 1229 | L | 84.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | -179.1 | -177.4 | 63.7 | 0 | 0 | 0 | 111.3 | L1135 A1139 I1142 L1201 F1225 L1226 I1227 H1232 F1233 | L1135-L1229 HydrophobicContact CD1-CB 4.16Å; A1139-L1229 HydrophobicContact CB-CD1 4.25Å; I1142-L1229 HydrophobicContact CD1-CD1 4.17Å; I1142-L1229 HydrophobicContact CD1-CD2 3.84Å; I1142-L1229 HydrophobicContact CD1-CG 4.16Å; L1201-L1229 HydrophobicContact CD2-CG 4.3Å; F1225-L1229 HydrophobicContact CE1-CD2 4.27Å; F1225-L1229 HydrophobicContact CZ-CD2 4.37Å; F1225-L1229 WeakPolarHBondContact O-CB 3.47Å; F1225-L1229 PolarHBondContact O-N 3.29Å; L1226-L1229 HydrophobicContact CD2-CD2 4.45Å; L1226-L1229 PolarHBondContact O-N 2.92Å; I1227-L1229 VanDerWaalsContact C-N 3.27Å; I1227-L1229 PolarHBondContact O-N 2.9Å; L1229-H1232 WeakPolarHBondContact O-CB 3.18Å; L1229-H1232 PolarHBondContact O-N 3.06Å; L1229-F1233 HydrophobicContact CD1-CE2 4.43Å; L1229-F1233 VanDerWaalsContact O-CD2 3.32Å; L1229-F1233 WeakPolarHBondContact O-CD2 3.11Å |
| 1230 | F | 83 | Confident | 79.6 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 172.8 | -90.5 | -113.1 | 0 | 0 | 0 | 110.4 | L1201 S1205 L1226 I1227 H1232 F1233 Q1238 F1366 L1370 | L1201-F1230 HydrophobicContact CB-CE1 4.28Å; L1201-F1230 HydrophobicContact CB-CE2 4.03Å; L1201-F1230 HydrophobicContact CB-CZ 3.81Å; L1201-F1230 HydrophobicContact CD2-CD2 4.12Å; L1201-F1230 HydrophobicContact CD2-CE2 4.13Å; S1205-F1230 WeakPolarHBondContact OG-CE2 3.49Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.03Å; L1226-F1230 PolarHBondContact O-N 2.83Å; I1227-F1230 PolarHBondContact O-N 3.4Å; F1230-H1232 PolarHBondContact O-N 3.06Å; F1230-F1233 PolarHBondContact O-N 3.37Å; F1230-Q1238 VanDerWaalsContact C-NE2 3.32Å; F1230-Q1238 HydrophobicContact CD1-CB 4.47Å; F1230-Q1238 HydrophobicContact CD1-CG 4.28Å; F1230-Q1238 PolarHBondContact O-NE2 2.92Å; F1230-F1366 HydrophobicContact CD2-CE1 4.34Å; F1230-F1366 AromaticContact CD2-CZ 3.88Å; F1230-F1366 HydrophobicContact CD2-CZ 3.88Å; F1230-F1366 HydrophobicContact CE2-CE1 4.07Å; F1230-F1366 HydrophobicContact CE2-CZ 4.02Å; F1230-F1366 HydrophobicContact CG-CZ 4.37Å; F1230-F1366 HydrophobicContact CZ-CE1 4.21Å; F1230-L1370 HydrophobicContact CB-CD1 3.55Å; F1230-L1370 HydrophobicContact CB-CD2 4.3Å; F1230-L1370 HydrophobicContact CD1-CD1 4.43Å; F1230-L1370 HydrophobicContact CD1-CD2 3.6Å; F1230-L1370 HydrophobicContact CE1-CD2 4.22Å; F1230-L1370 HydrophobicContact CG-CD1 4.14Å; F1230-L1370 HydrophobicContact CG-CD2 4.1Å |
| 1231 | C | 82.4 | Confident | 79.5 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 10% | 0.095 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -8.7 | 177.3 | -73 | 0 | 0 | 0 | 0 | 114.1 | I1227 E1228 K1379 | I1227-C1231 WeakPolarHBondContact O-CB 3.42Å; I1227-C1231 PolarHBondContact O-N 3.22Å; I1227-C1231 PolarHBondContact O-SG 3.37Å; I1227-C1231 VanDerWaalsContact O-SG 3.4Å; E1228-C1231 CarbonylContact O-C 3.58Å; E1228-C1231 PolarHBondContact O-N 3.31Å; C1231-K1379 VanDerWaalsContact O-CE 3.24Å; C1231-K1379 WeakPolarHBondContact O-CE 3.43Å; C1231-K1379 PolarHBondContact O-NZ 3.18Å |
| 1232 | H | 82.4 | Confident | 79.4 | Confident | 76 Ų | 76 | 26.8 Ų | 26.8 | 35% | 0.352 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -22.5 | 171 | -165.3 | 72.3 | 0 | 0 | 0 | 113.6 | A1139 R1143 E1228 L1229 F1230 | A1139-H1232 VanDerWaalsContact CB-CD2 3.47Å; A1139-H1232 WeakPolarHBondContact CB-CD2 3.49Å; R1143-H1232 PolarHBondContact NH1-NE2 2.9Å; R1143-H1232 PolarHBondContact NH2-CD2 3.41Å; R1143-H1232 PolarHBondContact NH2-NE2 3.41Å; E1228-H1232 PolarHBondContact O-N 3.22Å; L1229-H1232 WeakPolarHBondContact O-CB 3.18Å; L1229-H1232 PolarHBondContact O-N 3.06Å; F1230-H1232 PolarHBondContact O-N 3.06Å |
| 1233 | F | 82.7 | Confident | 79 | Confident | 12 Ų | 12 | 27.1 Ų | 27.1 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -99.8 | 167.9 | -177.8 | -63.3 | -86.6 | 0 | 0 | 0 | 112.8 | A1139 I1142 R1143 V1197 L1201 L1229 F1230 H1237 Q1238 K1379 | A1139-F1233 HydrophobicContact CB-CE2 4.36Å; A1139-F1233 HydrophobicContact CB-CZ 4.21Å; I1142-F1233 HydrophobicContact CB-CZ 4.2Å; I1142-F1233 HydrophobicContact CG2-CE2 4.46Å; I1142-F1233 HydrophobicContact CG2-CZ 3.97Å; R1143-F1233 HydrophobicContact CG-CE1 3.78Å; R1143-F1233 HydrophobicContact CG-CZ 4.24Å; V1197-F1233 HydrophobicContact CG1-CD1 3.55Å; V1197-F1233 HydrophobicContact CG1-CE1 3.59Å; V1197-F1233 HydrophobicContact CG1-CG 4.22Å; V1197-F1233 HydrophobicContact CG1-CZ 4.3Å; L1201-F1233 HydrophobicContact CD1-CB 4.18Å; L1201-F1233 HydrophobicContact CD1-CD2 3.83Å; L1201-F1233 HydrophobicContact CD1-CE2 4.44Å; L1201-F1233 HydrophobicContact CD1-CG 4.01Å; L1201-F1233 HydrophobicContact CD2-CD2 3.68Å; L1201-F1233 HydrophobicContact CD2-CE2 3.72Å; L1201-F1233 HydrophobicContact CG-CD2 4.22Å; L1201-F1233 HydrophobicContact CG-CE2 4.38Å; L1229-F1233 HydrophobicContact CD1-CE2 4.43Å; L1229-F1233 VanDerWaalsContact O-CD2 3.32Å; L1229-F1233 WeakPolarHBondContact O-CD2 3.11Å; F1230-F1233 PolarHBondContact O-N 3.37Å; F1233-H1237 HydrophobicContact CB-CB 4.48Å; F1233-Q1238 PolarHBondContact O-NE2 2.9Å; F1233-K1379 PolarHBondContact O-NZ 3.4Å |
| 1234 | G | 75.6 | Confident | 78.8 | Confident | 30 Ų | 30 | 26.6 Ų | 26.6 | 31% | 0.309 | 14% | 0.143 | S | C | . | . | trans | -67.9 | 154.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1236 H1237 Q1238 | G1234-D1236 VanDerWaalsContact C-OD1 3.22Å; G1234-D1236 WeakPolarHBondContact CA-OD1 3.18Å; G1234-D1236 PolarHBondContact O-N 3.36Å; G1234-H1237 PolarHBondContact O-N 2.85Å; G1234-Q1238 WeakPolarHBondContact O-CG 3.29Å; G1234-Q1238 PolarHBondContact O-N 3.18Å | ||
| 1235 | W | 74.9 | Confident | 78.8 | Confident | 49 Ų | 49 | 23.6 Ų | 23.6 | 19% | 0.186 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -31.1 | -178.7 | 67.7 | -89.8 | 0 | 0 | 0 | 112.5 | Q1238 V1239 A1383 L1390 V1393 | W1235-Q1238 PolarHBondContact O-N 3.45Å; W1235-V1239 VanDerWaalsContact O-CG2 3.32Å; W1235-V1239 WeakPolarHBondContact O-CG2 3.35Å; W1235-V1239 PolarHBondContact O-N 3.22Å; W1235-A1383 VanDerWaalsContact CD1-CB 3.47Å; W1235-A1383 HydrophobicContact CD2-CB 3.8Å; W1235-A1383 VanDerWaalsContact CE2-CB 3.42Å; W1235-A1383 HydrophobicContact CG-CB 3.85Å; W1235-A1383 HydrophobicContact CZ2-CB 4Å; W1235-L1390 HydrophobicContact CE3-CD1 4.41Å; W1235-L1390 HydrophobicContact CH2-CB 4.19Å; W1235-L1390 HydrophobicContact CH2-CD1 4.24Å; W1235-L1390 HydrophobicContact CH2-CG 4.32Å; W1235-L1390 HydrophobicContact CZ2-CD1 4.46Å; W1235-L1390 HydrophobicContact CZ3-CD1 4.22Å; W1235-L1390 HydrophobicContact CZ3-CG 4.22Å; W1235-V1393 HydrophobicContact CZ3-CB 4.13Å; W1235-V1393 HydrophobicContact CZ3-CG1 4.02Å; W1235-V1393 HydrophobicContact CZ3-CG2 4.39Å |
| 1236 | D | 68.8 | Low | 78.5 | Confident | 57 Ų | 57 | 23.2 Ų | 23.2 | 31% | 0.305 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62 | -47.1 | 177.5 | 57.6 | -27.1 | 0 | 0 | 0 | 112.4 | G1234 L1240 | G1234-D1236 VanDerWaalsContact C-OD1 3.22Å; G1234-D1236 WeakPolarHBondContact CA-OD1 3.18Å; G1234-D1236 PolarHBondContact O-N 3.36Å; D1236-L1240 WeakPolarHBondContact O-CB 3.34Å; D1236-L1240 PolarHBondContact O-N 3.48Å |
| 1237 | H | 78.9 | Confident | 78.1 | Confident | 32 Ų | 32 | 25.4 Ų | 25.4 | 15% | 0.148 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.4 | -37 | 178.4 | -60.6 | 84 | 0 | 0 | 0 | 111.8 | E1194 V1197 G1198 F1233 G1234 G1241 | E1194-H1237 PolarHBondContact O-CD2 2.99Å; E1194-H1237 PolarHBondContact O-NE2 3.39Å; V1197-H1237 HydrophobicContact CG1-CB 4.48Å; G1198-H1237 WeakPolarHBondContact CA-O 3.32Å; F1233-H1237 HydrophobicContact CB-CB 4.48Å; G1234-H1237 PolarHBondContact O-N 2.85Å; H1237-G1241 PolarHBondContact O-N 2.93Å |
| 1238 | Q | 76.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 175.9 | -67.6 | 170.6 | -2.7 | 0 | 0 | 111 | F1230 F1233 G1234 W1235 G1241 L1242 | F1230-Q1238 VanDerWaalsContact C-NE2 3.32Å; F1230-Q1238 HydrophobicContact CD1-CB 4.47Å; F1230-Q1238 HydrophobicContact CD1-CG 4.28Å; F1230-Q1238 PolarHBondContact O-NE2 2.92Å; F1233-Q1238 PolarHBondContact O-NE2 2.9Å; G1234-Q1238 WeakPolarHBondContact O-CG 3.29Å; G1234-Q1238 PolarHBondContact O-N 3.18Å; W1235-Q1238 PolarHBondContact O-N 3.45Å; Q1238-G1241 PolarHBondContact O-N 3.37Å; Q1238-L1242 VanDerWaalsContact O-CG 3.29Å; Q1238-L1242 WeakPolarHBondContact O-CG 3.48Å; Q1238-L1242 PolarHBondContact O-N 2.9Å |
| 1239 | V | 71.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.4 | -39.4 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | W1235 G1241 L1242 C1243 V1393 L1397 | W1235-V1239 VanDerWaalsContact O-CG2 3.32Å; W1235-V1239 WeakPolarHBondContact O-CG2 3.35Å; W1235-V1239 PolarHBondContact O-N 3.22Å; V1239-G1241 VanDerWaalsContact C-N 3.33Å; V1239-G1241 PolarHBondContact O-N 3.47Å; V1239-L1242 PolarHBondContact O-N 2.95Å; V1239-C1243 PolarHBondContact O-N 2.97Å; V1239-C1243 PolarHBondContact O-SG 3.2Å; V1239-V1393 HydrophobicContact CB-CG1 3.61Å; V1239-V1393 HydrophobicContact CG1-CG1 3.29Å; V1239-V1393 HydrophobicContact CG2-CG1 4.32Å; V1239-L1397 HydrophobicContact CG1-CB 3.93Å; V1239-L1397 HydrophobicContact CG1-CD1 4.37Å; V1239-L1397 HydrophobicContact CG1-CD2 3.96Å; V1239-L1397 HydrophobicContact CG1-CG 4.3Å |
| 1240 | L | 71.2 | Confident | 77.5 | Confident | 53 Ų | 53 | 23 Ų | 23 | 28% | 0.277 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 173.8 | -176.8 | 66.8 | 0 | 0 | 0 | 111 | S1195 D1236 L1242 C1243 E1244 | S1195-L1240 WeakPolarHBondContact O-CD2 3.36Å; D1236-L1240 WeakPolarHBondContact O-CB 3.34Å; D1236-L1240 PolarHBondContact O-N 3.48Å; L1240-L1242 VanDerWaalsContact C-N 3.31Å; L1240-L1242 PolarHBondContact O-N 3.38Å; L1240-C1243 PolarHBondContact O-N 3.44Å; L1240-E1244 WeakPolarHBondContact O-CG 3.26Å; L1240-E1244 PolarHBondContact O-N 3.35Å |
| 1241 | G | 76.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1198 H1237 Q1238 V1239 C1245 | G1198-G1241 VanDerWaalsContact O-CA 3.29Å; G1198-G1241 WeakPolarHBondContact O-CA 3.41Å; H1237-G1241 PolarHBondContact O-N 2.93Å; Q1238-G1241 PolarHBondContact O-N 3.37Å; V1239-G1241 VanDerWaalsContact C-N 3.33Å; V1239-G1241 PolarHBondContact O-N 3.47Å; G1241-C1245 VanDerWaalsContact O-CB 3.25Å; G1241-C1245 WeakPolarHBondContact O-CB 3.35Å; G1241-C1245 PolarHBondContact O-N 3.32Å |
| 1242 | L | 77.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | 174.2 | -72.2 | 170.1 | 0 | 0 | 0 | 112.4 | Q1238 V1239 L1240 C1245 I1246 I1367 L1370 L1397 | Q1238-L1242 VanDerWaalsContact O-CG 3.29Å; Q1238-L1242 WeakPolarHBondContact O-CG 3.48Å; Q1238-L1242 PolarHBondContact O-N 2.9Å; V1239-L1242 PolarHBondContact O-N 2.95Å; L1240-L1242 VanDerWaalsContact C-N 3.31Å; L1240-L1242 PolarHBondContact O-N 3.38Å; L1242-C1245 WeakPolarHBondContact O-CB 3.32Å; L1242-C1245 PolarHBondContact O-N 3.28Å; L1242-I1246 WeakPolarHBondContact O-CD1 3.26Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.29Å; L1242-I1246 PolarHBondContact O-N 3.1Å; L1242-I1367 HydrophobicContact CD2-CD1 4.06Å; L1242-I1367 HydrophobicContact CD2-CG1 3.72Å; L1242-I1367 HydrophobicContact CD2-CG2 4.1Å; L1242-L1370 HydrophobicContact CD1-CD2 4.34Å; L1242-L1370 HydrophobicContact CD2-CD2 4.41Å; L1242-L1397 HydrophobicContact CB-CD1 3.78Å |
| 1243 | C | 73.7 | Confident | 76.4 | Confident | 12 Ų | 12 | 21 Ų | 21 | 8% | 0.081 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62 | -48 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | V1239 L1240 C1245 I1246 D1247 L1397 | V1239-C1243 PolarHBondContact O-N 2.97Å; V1239-C1243 PolarHBondContact O-SG 3.2Å; L1240-C1243 PolarHBondContact O-N 3.44Å; C1243-C1245 PolarHBondContact O-N 3.47Å; C1243-I1246 PolarHBondContact O-N 3.23Å; C1243-D1247 PolarHBondContact O-N 2.93Å; C1243-L1397 VanDerWaalsContact SG-CA 3.57Å |
| 1244 | E | 77.9 | Confident | 75.7 | Confident | 19 Ų | 19 | 22.9 Ų | 22.9 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 178.7 | -69.2 | 178.7 | -179.6 | 0 | 0 | 112.5 | S1199 W1202 L1240 I1246 D1247 F1248 | S1199-E1244 WeakPolarHBondContact CA-OE2 3.19Å; S1199-E1244 WeakPolarHBondContact CB-OE2 3.34Å; S1199-E1244 PolarHBondContact N-OE2 3.47Å; S1199-E1244 PolarHBondContact OG-OE1 2.98Å; S1199-E1244 PolarHBondContact OG-OE2 3.16Å; W1202-E1244 HydrophobicContact CZ2-CB 4.16Å; W1202-E1244 VanDerWaalsContact NE1-CB 3.25Å; W1202-E1244 PolarHBondContact NE1-OE2 3.36Å; W1202-E1244 VanDerWaalsContact NE1-OE2 3.11Å; L1240-E1244 WeakPolarHBondContact O-CG 3.26Å; L1240-E1244 PolarHBondContact O-N 3.35Å; E1244-I1246 VanDerWaalsContact C-N 3.34Å; E1244-D1247 PolarHBondContact O-N 3.19Å; E1244-F1248 PolarHBondContact O-N 3.3Å |
| 1245 | C | 81.6 | Confident | 75.2 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 172.6 | -172.5 | 0 | 0 | 0 | 0 | 111 | W1202 G1241 L1242 C1243 D1247 F1248 L1249 | W1202-C1245 HydrophobicContact CB-CB 3.63Å; W1202-C1245 HydrophobicContact CD2-CB 3.97Å; W1202-C1245 HydrophobicContact CE3-CB 4.22Å; W1202-C1245 HydrophobicContact CG-CB 3.77Å; G1241-C1245 VanDerWaalsContact O-CB 3.25Å; G1241-C1245 WeakPolarHBondContact O-CB 3.35Å; G1241-C1245 PolarHBondContact O-N 3.32Å; L1242-C1245 WeakPolarHBondContact O-CB 3.32Å; L1242-C1245 PolarHBondContact O-N 3.28Å; C1243-C1245 PolarHBondContact O-N 3.47Å; C1245-D1247 VanDerWaalsContact C-N 3.33Å; C1245-D1247 PolarHBondContact O-N 2.61Å; C1245-F1248 WeakPolarHBondContact O-CB 3.3Å; C1245-F1248 PolarHBondContact O-N 3.38Å; C1245-L1249 WeakPolarHBondContact O-CG 3.37Å; C1245-L1249 PolarHBondContact O-N 3.37Å |
| 1246 | I | 78.6 | Confident | 74.6 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 179.8 | -68.4 | 164.9 | 0 | 0 | 0 | 111.3 | L1242 C1243 E1244 F1248 L1249 K1250 L1397 H1400 I1401 L1404 | L1242-I1246 WeakPolarHBondContact O-CD1 3.26Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.29Å; L1242-I1246 PolarHBondContact O-N 3.1Å; C1243-I1246 PolarHBondContact O-N 3.23Å; E1244-I1246 VanDerWaalsContact C-N 3.34Å; I1246-F1248 VanDerWaalsContact C-N 3.33Å; I1246-L1249 PolarHBondContact O-N 2.94Å; I1246-K1250 VanDerWaalsContact O-CB 3.3Å; I1246-K1250 WeakPolarHBondContact O-CB 3.3Å; I1246-K1250 PolarHBondContact O-N 3.12Å; I1246-L1397 HydrophobicContact CD1-CD1 3.91Å; I1246-H1400 HydrophobicContact CB-CB 4.28Å; I1246-H1400 HydrophobicContact CG2-CB 3.78Å; I1246-H1400 WeakPolarHBondContact CG2-O 3.47Å; I1246-I1401 HydrophobicContact CD1-CD1 4.48Å; I1246-I1401 HydrophobicContact CD1-CG1 3.56Å; I1246-L1404 HydrophobicContact CG2-CB 3.87Å; I1246-L1404 HydrophobicContact CG2-CD2 4Å |
| 1247 | D | 75 | Confident | 73.6 | Confident | 46 Ų | 46 | 20.8 Ų | 20.8 | 25% | 0.246 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 173.2 | -86.3 | -24.6 | 0 | 0 | 0 | 112.5 | C1243 E1244 C1245 K1250 Y1251 H1400 | C1243-D1247 PolarHBondContact O-N 2.93Å; E1244-D1247 PolarHBondContact O-N 3.19Å; C1245-D1247 VanDerWaalsContact C-N 3.33Å; C1245-D1247 PolarHBondContact O-N 2.61Å; D1247-K1250 WeakPolarHBondContact O-CB 3.48Å; D1247-K1250 PolarHBondContact O-N 3.12Å; D1247-Y1251 PolarHBondContact O-N 3.45Å; D1247-H1400 IonicContact OD1-CD2 3.39Å; D1247-H1400 PolarHBondContact OD1-CD2 3.22Å; D1247-H1400 IonicContact OD1-NE2 2.58Å; D1247-H1400 IonicContact OD2-CD2 2.79Å; D1247-H1400 PolarHBondContact OD2-CD2 2.97Å; D1247-H1400 VanDerWaalsContact OD2-CD2 3.28Å; D1247-H1400 IonicContact OD2-NE2 3.98Å; D1247-H1400 PolarHBondContact OD2-NE2 3.45Å |
| 1248 | F | 79.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.1 | -46.1 | 173.9 | 178 | -117.7 | 0 | 0 | 0 | 112.2 | W1202 L1206 E1244 C1245 I1246 K1250 Y1251 L1252 F1321 L1324 A1325 I1328 | W1202-F1248 HydrophobicContact CH2-CB 3.52Å; W1202-F1248 HydrophobicContact CH2-CD1 4.08Å; W1202-F1248 HydrophobicContact CH2-CD2 4.41Å; W1202-F1248 AromaticContact CH2-CG 3.74Å; W1202-F1248 HydrophobicContact CH2-CG 3.74Å; W1202-F1248 HydrophobicContact CZ2-CB 4.35Å; W1202-F1248 HydrophobicContact CZ3-CB 3.8Å; W1202-F1248 AromaticContact CZ3-CD1 3.61Å; W1202-F1248 HydrophobicContact CZ3-CD1 3.61Å; W1202-F1248 HydrophobicContact CZ3-CE1 4.35Å; W1202-F1248 AromaticContact CZ3-CG 3.77Å; W1202-F1248 HydrophobicContact CZ3-CG 3.77Å; L1206-F1248 HydrophobicContact CD1-CD1 3.54Å; L1206-F1248 HydrophobicContact CD1-CE1 3.59Å; E1244-F1248 PolarHBondContact O-N 3.3Å; C1245-F1248 WeakPolarHBondContact O-CB 3.3Å; C1245-F1248 PolarHBondContact O-N 3.38Å; I1246-F1248 VanDerWaalsContact C-N 3.33Å; F1248-K1250 VanDerWaalsContact C-N 3.26Å; F1248-K1250 PolarHBondContact O-N 3.21Å; F1248-Y1251 WeakPolarHBondContact O-CB 3.39Å; F1248-Y1251 PolarHBondContact O-N 3.42Å; F1248-Y1251 VanDerWaalsContact O-N 3.13Å; F1248-L1252 HydrophobicContact CD1-CD1 3.91Å; F1248-L1252 HydrophobicContact CD1-CG 4.47Å; F1248-L1252 HydrophobicContact CD2-CG 4.38Å; F1248-L1252 HydrophobicContact CE1-CD1 3.34Å; F1248-L1252 HydrophobicContact CE1-CG 4.03Å; F1248-L1252 HydrophobicContact CE2-CD1 4.21Å; F1248-L1252 HydrophobicContact CE2-CD2 4.19Å; F1248-L1252 HydrophobicContact CE2-CG 3.98Å; F1248-L1252 HydrophobicContact CZ-CD1 3.54Å; F1248-L1252 HydrophobicContact CZ-CD2 3.98Å; F1248-L1252 HydrophobicContact CZ-CG 3.79Å; F1248-L1252 PolarHBondContact O-N 3.21Å; F1248-F1321 HydrophobicContact CB-CD1 4.26Å; F1248-F1321 HydrophobicContact CB-CE1 3.73Å; F1248-F1321 AromaticContact CD2-CD1 3.24Å; F1248-F1321 HydrophobicContact CD2-CD1 3.24Å; F1248-F1321 AromaticContact CD2-CE1 3.64Å; F1248-F1321 HydrophobicContact CD2-CE1 3.64Å; F1248-F1321 HydrophobicContact CD2-CG 4.18Å; F1248-F1321 AromaticContact CE2-CD1 3.93Å; F1248-F1321 HydrophobicContact CE2-CD1 3.93Å; F1248-F1321 HydrophobicContact CG-CD1 4.16Å; F1248-F1321 HydrophobicContact CG-CE1 4.13Å; F1248-L1324 HydrophobicContact CD1-CD2 4.26Å; F1248-L1324 HydrophobicContact CD2-CD2 4.26Å; F1248-L1324 HydrophobicContact CE1-CD2 3.82Å; F1248-L1324 HydrophobicContact CE2-CD2 3.8Å; F1248-L1324 HydrophobicContact CG-CD2 4.42Å; F1248-L1324 HydrophobicContact CZ-CD2 3.56Å; F1248-A1325 HydrophobicContact CE2-CB 4.47Å; F1248-A1325 HydrophobicContact CZ-CB 4.39Å; F1248-I1328 HydrophobicContact CE1-CD1 4Å; F1248-I1328 HydrophobicContact CZ-CD1 4.13Å |
| 1249 | L | 80.8 | Confident | 70.1 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 175.9 | -65.2 | 175.2 | 0 | 0 | 0 | 110.6 | C1245 I1246 L1252 C1253 V1360 L1404 | C1245-L1249 WeakPolarHBondContact O-CG 3.37Å; C1245-L1249 PolarHBondContact O-N 3.37Å; I1246-L1249 PolarHBondContact O-N 2.94Å; L1249-L1252 PolarHBondContact O-N 2.97Å; L1249-C1253 WeakPolarHBondContact O-CB 3.38Å; L1249-C1253 PolarHBondContact O-N 3.32Å; L1249-C1253 PolarHBondContact O-SG 3.06Å; L1249-V1360 HydrophobicContact CD2-CG2 3.94Å; L1249-L1404 HydrophobicContact CB-CD1 4.19Å; L1249-L1404 HydrophobicContact CB-CD2 4.23Å; L1249-L1404 HydrophobicContact CD1-CD2 4.33Å |
| 1250 | K | 77.6 | Confident | 68.4 | Low | 61 Ų | 61 | 40.4 Ų | 40.4 | 27% | 0.265 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 173.5 | -179.3 | -174.3 | 170.3 | -165.4 | 0 | 111.1 | I1246 D1247 F1248 C1253 T1254 Q1403 L1404 V1407 | I1246-K1250 VanDerWaalsContact O-CB 3.3Å; I1246-K1250 WeakPolarHBondContact O-CB 3.3Å; I1246-K1250 PolarHBondContact O-N 3.12Å; D1247-K1250 WeakPolarHBondContact O-CB 3.48Å; D1247-K1250 PolarHBondContact O-N 3.12Å; F1248-K1250 VanDerWaalsContact C-N 3.26Å; F1248-K1250 PolarHBondContact O-N 3.21Å; K1250-C1253 PolarHBondContact O-N 2.86Å; K1250-T1254 HydrophobicContact CG-CG2 4.28Å; K1250-T1254 WeakPolarHBondContact O-CB 3.15Å; K1250-T1254 VanDerWaalsContact O-CG2 3.28Å; K1250-T1254 WeakPolarHBondContact O-CG2 3.43Å; K1250-T1254 PolarHBondContact O-N 3.34Å; K1250-T1254 PolarHBondContact O-OG1 2.77Å; K1250-Q1403 HydrophobicContact CD-CB 4.46Å; K1250-L1404 HydrophobicContact CB-CD1 4.25Å; K1250-V1407 HydrophobicContact CG-CG2 4.29Å |
| 1251 | Y | 76.5 | Confident | 66.4 | Low | 45 Ų | 45 | 45.6 Ų | 45.6 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -49.9 | 175.7 | 172.6 | -97.8 | 0 | 0 | 0 | 111.5 | D1247 F1248 C1253 T1254 N1255 F1321 I1322 | D1247-Y1251 PolarHBondContact O-N 3.45Å; F1248-Y1251 WeakPolarHBondContact O-CB 3.39Å; F1248-Y1251 PolarHBondContact O-N 3.42Å; F1248-Y1251 VanDerWaalsContact O-N 3.13Å; Y1251-C1253 PolarHBondContact O-N 3.47Å; Y1251-T1254 WeakPolarHBondContact CA-OG1 3.13Å; Y1251-T1254 PolarHBondContact O-N 3.1Å; Y1251-T1254 PolarHBondContact O-OG1 2.99Å; Y1251-N1255 VanDerWaalsContact CE1-ND2 3.32Å; Y1251-N1255 WeakPolarHBondContact CE1-ND2 3.45Å; Y1251-N1255 WeakPolarHBondContact CE2-ND2 3.28Å; Y1251-N1255 PolarHBondContact O-N 3.47Å; Y1251-N1255 VanDerWaalsContact O-N 3.13Å; Y1251-N1255 PolarHBondContact O-ND2 2.96Å; Y1251-N1255 PolarHBondContact OH-ND2 3.22Å; Y1251-F1321 HydrophobicContact CD1-CB 3.7Å; Y1251-F1321 HydrophobicContact CD1-CD2 4.49Å; Y1251-F1321 HydrophobicContact CD1-CG 4.09Å; Y1251-F1321 HydrophobicContact CD2-CD2 4.31Å; Y1251-F1321 HydrophobicContact CE1-CB 3.54Å; Y1251-F1321 HydrophobicContact CE1-CG 4.39Å; Y1251-F1321 HydrophobicContact CE2-CB 4.45Å; Y1251-F1321 HydrophobicContact CG-CB 4.24Å; Y1251-F1321 HydrophobicContact CG-CD2 4.19Å; Y1251-F1321 HydrophobicContact CG-CG 4.24Å; Y1251-I1322 VanDerWaalsContact OH-CG1 3.26Å; Y1251-I1322 WeakPolarHBondContact OH-CG1 3.5Å |
| 1252 | L | 74.2 | Confident | 64.2 | Low | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 176.5 | -73.2 | 176.8 | 0 | 0 | 0 | 111.9 | F1248 L1249 N1255 S1256 A1325 F1329 I1356 | F1248-L1252 HydrophobicContact CD1-CD1 3.91Å; F1248-L1252 HydrophobicContact CD1-CG 4.47Å; F1248-L1252 HydrophobicContact CD2-CG 4.38Å; F1248-L1252 HydrophobicContact CE1-CD1 3.34Å; F1248-L1252 HydrophobicContact CE1-CG 4.03Å; F1248-L1252 HydrophobicContact CE2-CD1 4.21Å; F1248-L1252 HydrophobicContact CE2-CD2 4.19Å; F1248-L1252 HydrophobicContact CE2-CG 3.98Å; F1248-L1252 HydrophobicContact CZ-CD1 3.54Å; F1248-L1252 HydrophobicContact CZ-CD2 3.98Å; F1248-L1252 HydrophobicContact CZ-CG 3.79Å; F1248-L1252 PolarHBondContact O-N 3.21Å; L1249-L1252 PolarHBondContact O-N 2.97Å; L1252-N1255 PolarHBondContact O-N 3.44Å; L1252-S1256 PolarHBondContact O-N 2.98Å; L1252-A1325 HydrophobicContact CD2-CB 4.1Å; L1252-F1329 HydrophobicContact CD2-CE2 4.34Å; L1252-I1356 HydrophobicContact CB-CG2 4.42Å |
| 1253 | C | 73.3 | Confident | 61.6 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | -179.8 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | L1249 K1250 Y1251 S1256 C1257 V1407 | L1249-C1253 WeakPolarHBondContact O-CB 3.38Å; L1249-C1253 PolarHBondContact O-N 3.32Å; L1249-C1253 PolarHBondContact O-SG 3.06Å; K1250-C1253 PolarHBondContact O-N 2.86Å; Y1251-C1253 PolarHBondContact O-N 3.47Å; C1253-S1256 PolarHBondContact O-N 3.08Å; C1253-S1256 PolarHBondContact O-OG 3.44Å; C1253-C1257 PolarHBondContact O-N 3.39Å; C1253-C1257 PolarHBondContact O-SG 3.37Å; C1253-V1407 HydrophobicContact CB-CG1 3.6Å |
| 1254 | T | 68.1 | Low | 59.5 | Low | 51 Ų | 51 | 65.8 Ų | 65.8 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 179.2 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | K1250 Y1251 S1256 C1257 V1407 | K1250-T1254 HydrophobicContact CG-CG2 4.28Å; K1250-T1254 WeakPolarHBondContact O-CB 3.15Å; K1250-T1254 VanDerWaalsContact O-CG2 3.28Å; K1250-T1254 WeakPolarHBondContact O-CG2 3.43Å; K1250-T1254 PolarHBondContact O-N 3.34Å; K1250-T1254 PolarHBondContact O-OG1 2.77Å; Y1251-T1254 WeakPolarHBondContact CA-OG1 3.13Å; Y1251-T1254 PolarHBondContact O-N 3.1Å; Y1251-T1254 PolarHBondContact O-OG1 2.99Å; T1254-S1256 VanDerWaalsContact C-N 3.28Å; T1254-S1256 PolarHBondContact O-N 2.75Å; T1254-C1257 PolarHBondContact O-N 3.44Å; T1254-C1257 VanDerWaalsContact O-N 3.09Å; T1254-V1407 HydrophobicContact CG2-CG1 4.21Å; T1254-V1407 HydrophobicContact CG2-CG2 4.06Å |
| 1255 | N | 65.4 | Low | 57 | Low | 66 Ų | 66 | 72.3 Ų | 72.3 | 35% | 0.353 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.9 | -29.8 | 176.2 | -71.2 | -32.2 | 0 | 0 | 0 | 112.4 | Y1251 L1252 C1257 | Y1251-N1255 VanDerWaalsContact CE1-ND2 3.32Å; Y1251-N1255 WeakPolarHBondContact CE1-ND2 3.45Å; Y1251-N1255 WeakPolarHBondContact CE2-ND2 3.28Å; Y1251-N1255 PolarHBondContact O-N 3.47Å; Y1251-N1255 VanDerWaalsContact O-N 3.13Å; Y1251-N1255 PolarHBondContact O-ND2 2.96Å; Y1251-N1255 PolarHBondContact OH-ND2 3.22Å; L1252-N1255 PolarHBondContact O-N 3.44Å; N1255-C1257 VanDerWaalsContact C-N 3.27Å; N1255-C1257 PolarHBondContact O-N 2.95Å |
| 1256 | S | 61.6 | Low | 54.4 | Low | 5 Ų | 5 | 78.2 Ų | 78.2 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.6 | -21.8 | 173 | 74.7 | 0 | 0 | 0 | 0 | 113.7 | L1252 C1253 T1254 | L1252-S1256 PolarHBondContact O-N 2.98Å; C1253-S1256 PolarHBondContact O-N 3.08Å; C1253-S1256 PolarHBondContact O-OG 3.44Å; T1254-S1256 VanDerWaalsContact C-N 3.28Å; T1254-S1256 PolarHBondContact O-N 2.75Å |
| 1257 | C | 48.9 | Very low | 52 | Low | 21 Ų | 21 | 83.4 Ų | 83.4 | 14% | 0.142 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -89.6 | -11.1 | -172.1 | -75 | 0 | 0 | 0 | 0 | 115.2 | C1253 T1254 N1255 Y1259 K1414 | C1253-C1257 PolarHBondContact O-N 3.39Å; C1253-C1257 PolarHBondContact O-SG 3.37Å; T1254-C1257 PolarHBondContact O-N 3.44Å; T1254-C1257 VanDerWaalsContact O-N 3.09Å; N1255-C1257 VanDerWaalsContact C-N 3.27Å; N1255-C1257 PolarHBondContact O-N 2.95Å; C1257-Y1259 PolarHBondContact O-N 3.28Å; C1257-K1414 PolarHBondContact O-NZ 3.43Å |
| 1258 | D | 42.9 | Very low | 49.8 | Very low | 140 Ų | 140 | 89.4 Ų | 89.4 | 75% | 0.749 | 46% | 0.463 | S | S | * | . | trans | -83.3 | 18.4 | -179.8 | -92.7 | -14.6 | 0 | 0 | 0 | 114 | K1260 | D1258-K1260 PolarHBondContact O-N 2.99Å; D1258-K1260 VanDerWaalsContact O-N 3.13Å | ||
| 1259 | Y | 39.7 | Very low | 47.4 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | trans | -59.7 | 110.9 | 173.3 | -111.9 | -99 | 0 | 0 | 0 | 112.3 | C1257 V1273 Y1274 I1275 | C1257-Y1259 PolarHBondContact O-N 3.28Å; Y1259-V1273 HydrophobicContact CE1-CG1 4.19Å; Y1259-V1273 VanDerWaalsContact OH-CG1 3.32Å; Y1259-V1273 WeakPolarHBondContact OH-CG1 3.35Å; Y1259-Y1274 PolarHBondContact OH-O 3.42Å; Y1259-I1275 HydrophobicContact CD2-CD1 4.35Å; Y1259-I1275 HydrophobicContact CE2-CD1 3.79Å; Y1259-I1275 HydrophobicContact CE2-CG1 3.76Å; Y1259-I1275 HydrophobicContact CE2-CG2 4.46Å | ||
| 1260 | K | 34.9 | Very low | 45.3 | Very low | 191 Ų | 191 | 102.5 Ų | 102.5 | 83% | 0.83 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 118.2 | 157.4 | -74.4 | -175 | 177.8 | -179.4 | 0 | 108.1 | D1258 P1262 | D1258-K1260 PolarHBondContact O-N 2.99Å; D1258-K1260 VanDerWaalsContact O-N 3.13Å; K1260-P1262 VanDerWaalsContact O-CD 3.24Å; K1260-P1262 WeakPolarHBondContact O-CD 3.3Å |
| 1261 | L | 29.6 | Very low | 43.3 | Very low | 162 Ų | 162 | 103 Ų | 103 | 85% | 0.848 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 117.7 | 172.7 | -121.9 | 86.3 | 0 | 0 | 0 | 109.9 | ||
| 1262 | P | 30.6 | Very low | 41.5 | Very low | 96 Ų | 96 | 103.5 Ų | 103.5 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -84 | 121.4 | 161.9 | 11.8 | 6.2 | 0 | 0 | 0 | 108.1 | K1260 I1264 | K1260-P1262 VanDerWaalsContact O-CD 3.24Å; K1260-P1262 WeakPolarHBondContact O-CD 3.3Å; P1262-I1264 HydrophobicContact CB-CD1 4.46Å; P1262-I1264 HydrophobicContact CB-CG1 4.43Å; P1262-I1264 PolarHBondContact O-N 2.99Å; P1262-I1264 VanDerWaalsContact O-N 3.08Å |
| 1263 | Q | 24.2 | Very low | 39.9 | Very low | 198 Ų | 198 | 107 Ų | 107 | 93% | 0.925 | 60% | 0.597 | S | S | * | * | trans | -61.5 | 105.8 | 165 | -73.9 | 177.9 | -42.2 | 0 | 0 | 108.2 | ||||
| 1264 | I | 27.8 | Very low | 38.3 | Very low | 147 Ų | 147 | 113 Ų | 113 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -139.1 | 128.2 | 168 | -60.4 | -179.8 | 0 | 0 | 0 | 108.3 | P1262 | P1262-I1264 HydrophobicContact CB-CD1 4.46Å; P1262-I1264 HydrophobicContact CB-CG1 4.43Å; P1262-I1264 PolarHBondContact O-N 2.99Å; P1262-I1264 VanDerWaalsContact O-N 3.08Å | ||
| 1265 | D | 26.3 | Very low | 37.3 | Very low | 156 Ų | 156 | 111.3 Ų | 111.3 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | trans | -55.3 | 144 | -176.2 | -71.3 | -52.8 | 0 | 0 | 0 | 113.7 | S1267 | D1265-S1267 PolarHBondContact O-N 3.4Š| ||
| 1266 | V | 27.5 | Very low | 36.2 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 81% | 0.806 | 62% | 0.621 | S | S | * | * | trans | -67.2 | 106.6 | -174.5 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | E1268 | V1266-E1268 HydrophobicContact CG1-CG 4.06Š| ||
| 1267 | S | 27.3 | Very low | 35.3 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 79% | 0.79 | 63% | 0.629 | S | S | * | * | trans | -107.7 | 110.2 | 152.9 | 62.7 | 0 | 0 | 0 | 0 | 108.4 | D1265 N1269 | D1265-S1267 PolarHBondContact O-N 3.4Å; S1267-N1269 PolarHBondContact O-N 2.89Å | ||
| 1268 | E | 28.1 | Very low | 34.6 | Very low | 172 Ų | 172 | 117.6 Ų | 117.6 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | -62.8 | 109.5 | 179.6 | -64.8 | 177.8 | 149 | 0 | 0 | 110.8 | V1266 | V1266-E1268 HydrophobicContact CG1-CG 4.06Š| ||
| 1269 | N | 31.2 | Very low | 34.1 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 84% | 0.84 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -169 | 126.4 | 142.4 | -95.7 | -26.8 | 0 | 0 | 0 | 111.9 | S1267 | S1267-N1269 PolarHBondContact O-N 2.89Š|
| 1270 | S | 35.2 | Very low | 33.6 | Very low | 119 Ų | 119 | 118 Ų | 118 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | trans | 52.1 | 102.4 | 170.2 | 57.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1271 | G | 36.9 | Very low | 33.1 | Very low | 71 Ų | 71 | 117.1 Ų | 117.1 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | trans | -84.1 | 124.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1272 | S | 37.1 | Very low | 33 | Very low | 57 Ų | 57 | 118.9 Ų | 118.9 | 40% | 0.399 | 66% | 0.664 | S | S | . | * | trans | -161.8 | 132.9 | 156.3 | 30.4 | 0 | 0 | 0 | 0 | 107.1 | Y1274 | S1272-Y1274 VanDerWaalsContact O-CD2 3.26Å; S1272-Y1274 WeakPolarHBondContact O-CD2 3.32Å; S1272-Y1274 WeakPolarHBondContact O-CE2 3.19Å; S1272-Y1274 WeakPolarHBondContact OG-CE2 3.47Å; S1272-Y1274 PolarHBondContact OG-OH 3.48Å | ||
| 1273 | V | 42 | Very low | 32.7 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 49% | 0.485 | 68% | 0.676 | S | S | . | * | trans | -90 | 115.2 | -177 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | Y1259 | Y1259-V1273 HydrophobicContact CE1-CG1 4.19Å; Y1259-V1273 VanDerWaalsContact OH-CG1 3.32Å; Y1259-V1273 WeakPolarHBondContact OH-CG1 3.35Å | ||
| 1274 | Y | 39.5 | Very low | 32.6 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 49% | 0.494 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.3 | -172.7 | -69.4 | -65 | 0 | 0 | 0 | 111.8 | Y1259 S1272 V1350 T1352 | Y1259-Y1274 PolarHBondContact OH-O 3.42Å; S1272-Y1274 VanDerWaalsContact O-CD2 3.26Å; S1272-Y1274 WeakPolarHBondContact O-CD2 3.32Å; S1272-Y1274 WeakPolarHBondContact O-CE2 3.19Å; S1272-Y1274 WeakPolarHBondContact OG-CE2 3.47Å; S1272-Y1274 PolarHBondContact OG-OH 3.48Å; Y1274-V1350 HydrophobicContact CD1-CB 4.48Å; Y1274-V1350 HydrophobicContact CD1-CG1 2.99Å; Y1274-V1350 HydrophobicContact CD2-CG1 4.47Å; Y1274-V1350 HydrophobicContact CE1-CG1 3.62Å; Y1274-V1350 HydrophobicContact CG-CG1 3.47Å; Y1274-V1350 VanDerWaalsContact CG-CG1 3.47Å; Y1274-T1352 HydrophobicContact CD1-CG2 3.81Å; Y1274-T1352 HydrophobicContact CE1-CG2 3.63Å |
| 1275 | I | 45.9 | Very low | 32.4 | Very low | 16 Ų | 16 | 125.1 Ų | 125.1 | 8% | 0.082 | 67% | 0.673 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.7 | 173.6 | -44.6 | -161.6 | 0 | 0 | 0 | 109.1 | Y1259 V1351 L1353 | Y1259-I1275 HydrophobicContact CD2-CD1 4.35Å; Y1259-I1275 HydrophobicContact CE2-CD1 3.79Å; Y1259-I1275 HydrophobicContact CE2-CG1 3.76Å; Y1259-I1275 HydrophobicContact CE2-CG2 4.46Å; I1275-V1351 PolarHBondContact N-O 3.19Å; I1275-V1351 VanDerWaalsContact N-O 3.09Å; I1275-V1351 PolarHBondContact O-N 3.11Å; I1275-L1353 HydrophobicContact CD1-CD1 3.65Å |
| 1276 | E | 42.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 61% | 0.607 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 116 | 166.1 | -76.8 | -165.2 | 133.4 | 0 | 0 | 110.3 | G1278 S1348 | E1276-G1278 VanDerWaalsContact C-N 3.28Å; E1276-G1278 PolarHBondContact O-N 3.3Å; E1276-S1348 WeakPolarHBondContact OE1-CB 3.46Å; E1276-S1348 PolarHBondContact OE1-OG 2.98Å |
| 1277 | I | 42.8 | Very low | 31.8 | Very low | 37 Ų | 37 | 123.7 Ų | 123.7 | 19% | 0.19 | 67% | 0.668 | C | S | . | * | trans | -79.4 | 77.8 | 173.5 | -53.3 | 173.7 | 0 | 0 | 0 | 108.4 | A1325 V1351 | I1277-A1325 HydrophobicContact CD1-CB 4.43Å; I1277-V1351 HydrophobicContact CD1-CG2 4.04Å | ||
| 1278 | G | 34.3 | Very low | 31.6 | Very low | 56 Ų | 56 | 123.9 Ų | 123.9 | 58% | 0.577 | 67% | 0.669 | S | S | * | * | trans | -83.7 | 149.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1276 S1280 | E1276-G1278 VanDerWaalsContact C-N 3.28Å; E1276-G1278 PolarHBondContact O-N 3.3Å; G1278-S1280 PolarHBondContact O-N 3.32Å | ||
| 1279 | H | 32.7 | Very low | 31.3 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | trans | -56.5 | 123.5 | 169 | -79 | -72.3 | 0 | 0 | 0 | 110.2 | Q1281 | H1279-Q1281 PolarHBondContact O-N 3.24Š| ||
| 1280 | S | 28.5 | Very low | 30.7 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | trans | -69.1 | 71.1 | 175.7 | 52.2 | 0 | 0 | 0 | 0 | 112 | G1278 K1282 | G1278-S1280 PolarHBondContact O-N 3.32Å; S1280-K1282 PolarHBondContact O-N 3.05Å | ||
| 1281 | Q | 25.3 | Very low | 30.2 | Very low | 174 Ų | 174 | 117.8 Ų | 117.8 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | trans | -83.2 | 93.1 | 167.7 | -76.6 | -169.6 | -6.8 | 0 | 0 | 109.8 | H1279 | H1279-Q1281 PolarHBondContact O-N 3.24Š| ||
| 1282 | K | 26.8 | Very low | 29.6 | Very low | 198 Ų | 198 | 121.7 Ų | 121.7 | 86% | 0.861 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 151.8 | 117.5 | 138.9 | -84.7 | 170.9 | -178.5 | 176 | 0 | 110.2 | S1280 L1284 | S1280-K1282 PolarHBondContact O-N 3.05Å; K1282-L1284 PolarHBondContact O-N 3.19Å |
| 1283 | R | 24 | Very low | 28.9 | Very low | 234 Ų | 234 | 125.7 Ų | 125.7 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | trans | -30.9 | 103.4 | 163.4 | -76.4 | 172.7 | 170.3 | 174.3 | -3.8 | 112.4 | K1285 | R1283-K1285 PolarHBondContact O-N 3.35Š| ||
| 1284 | L | 23.6 | Very low | 27.9 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | trans | -74.8 | 102.9 | 138.6 | -95.8 | 155.4 | 0 | 0 | 0 | 105.5 | K1282 L1286 | K1282-L1284 PolarHBondContact O-N 3.19Å; L1284-L1286 PolarHBondContact O-N 3.18Å | ||
| 1285 | K | 22.4 | Very low | 27.1 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | -56.1 | 87.4 | 162 | -81.5 | 176.4 | 172.8 | 177 | 0 | 107.1 | R1283 S1287 | R1283-K1285 PolarHBondContact O-N 3.35Å; K1285-S1287 PolarHBondContact O-N 2.83Å | ||
| 1286 | L | 21.6 | Very low | 26.1 | Very low | 159 Ų | 159 | 135 Ų | 135 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -66.4 | 91.9 | 151 | -91.5 | 149.1 | 0 | 0 | 0 | 104.2 | L1284 S1288 | L1284-L1286 PolarHBondContact O-N 3.18Å; L1286-S1288 PolarHBondContact O-N 3.39Å | ||
| 1287 | S | 20.6 | Very low | 25.5 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -57.6 | 90 | 170.4 | 50.6 | 0 | 0 | 0 | 0 | 108 | K1285 S1289 | K1285-S1287 PolarHBondContact O-N 2.83Å; S1287-S1289 PolarHBondContact O-N 2.84Å | ||
| 1288 | S | 22.4 | Very low | 24.4 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 78.4 | 154.1 | 47.3 | 0 | 0 | 0 | 0 | 107.6 | L1286 | L1286-S1288 PolarHBondContact O-N 3.39Š| ||
| 1289 | S | 21.6 | Very low | 23.8 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -99.3 | 77.1 | 158.8 | 59.2 | 0 | 0 | 0 | 0 | 107.9 | S1287 | S1287-S1289 PolarHBondContact O-N 2.84Š| ||
| 1290 | C | 20.1 | Very low | 23.4 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -82 | 131.1 | 144.1 | -97.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1291 | A | 24.5 | Very low | 23 | Very low | 86 Ų | 86 | 143.6 Ų | 143.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 90.9 | 126.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 1292 | N | 24.3 | Very low | 22.8 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 95.4 | 71.4 | 156.2 | -52.6 | -15 | 0 | 0 | 0 | 117 | S1294 | N1292-S1294 PolarHBondContact O-N 2.82Š| ||
| 1293 | L | 21.9 | Very low | 22.5 | Very low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -95.3 | 71.6 | 167.7 | -108.2 | 144.2 | 0 | 0 | 0 | 109.9 | ||||
| 1294 | S | 21.7 | Very low | 22.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -109 | 102.7 | 166.7 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | N1292 | N1292-S1294 PolarHBondContact O-N 2.82Š| ||
| 1295 | K | 20.8 | Very low | 22.2 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | 56.9 | 130.3 | 159.8 | -64.6 | -177.1 | 177.1 | -178.3 | 0 | 119.2 | ||||
| 1296 | S | 25.9 | Very low | 22.2 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -49 | 162.4 | 158.9 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1297 | P | 28.9 | Very low | 22.1 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | cis | -133.1 | 170.9 | 19 | 33.7 | -12 | 0 | 0 | 0 | 115.5 | ||||
| 1298 | T | 21.3 | Very low | 22.2 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -47 | 139.2 | 173.8 | 45.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1299 | N | 22 | Very low | 22.2 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | 93.9 | 97.6 | 140.1 | -67.5 | -1.6 | 0 | 0 | 0 | 119.2 | ||||
| 1300 | N | 23 | Very low | 22.1 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | 90.6 | 71.6 | 117.7 | -59.8 | -11.5 | 0 | 0 | 0 | 116.6 | |||||
| 1301 | L | 19.4 | Very low | 22.2 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -123.9 | 89.9 | 134.3 | -83.5 | 169.9 | 0 | 0 | 0 | 109.7 | I1303 | L1301-I1303 PolarHBondContact O-N 3.04Š| ||
| 1302 | T | 21.9 | Very low | 22.2 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -58.1 | 114.9 | 160.5 | 40.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1303 | I | 20.7 | Very low | 22.3 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -92.8 | 104.6 | 158.3 | -61.6 | 175.6 | 0 | 0 | 0 | 106.2 | L1301 F1305 | L1301-I1303 PolarHBondContact O-N 3.04Å; I1303-F1305 PolarHBondContact O-N 3.44Å | ||
| 1304 | S | 21 | Very low | 22.6 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -57.7 | 111.1 | 174.6 | 50.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1305 | F | 21.4 | Very low | 23 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | trans | -88.8 | 105.3 | 151.8 | -94 | -84.3 | 0 | 0 | 0 | 107.1 | I1303 | I1303-F1305 PolarHBondContact O-N 3.44Š| ||
| 1306 | T | 21.5 | Very low | 23.5 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -53.2 | 128 | -179.9 | 41.7 | 0 | 0 | 0 | 0 | 112.1 | S1308 | T1306-S1308 PolarHBondContact O-N 3.35Š| ||
| 1307 | E | 20.1 | Very low | 24.1 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -52.8 | 120.1 | 162.5 | -69.7 | 172.6 | 142.1 | 0 | 0 | 110.7 | ||||
| 1308 | S | 22.1 | Very low | 24.8 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | 169.9 | 115.1 | 139 | 43.1 | 0 | 0 | 0 | 0 | 108.5 | T1306 | T1306-S1308 PolarHBondContact O-N 3.35Š| ||
| 1309 | L | 21.4 | Very low | 26.2 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 93% | 0.927 | 71% | 0.709 | S | S | * | * | trans | 155 | 69.9 | 153.9 | -81.4 | 168.1 | 0 | 0 | 0 | 107.6 | N1311 | L1309-N1311 PolarHBondContact O-N 3.18Š| ||
| 1310 | S | 20.2 | Very low | 28.1 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -60.5 | 120.4 | 155.4 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1311 | N | 22.6 | Very low | 30 | Very low | 136 Ų | 136 | 118.1 Ų | 118.1 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | 170.1 | 135.4 | 127.3 | -84.1 | -4.1 | 0 | 0 | 0 | 112.8 | L1309 | L1309-N1311 PolarHBondContact O-N 3.18Š| |||
| 1312 | D | 24.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 111.5 Ų | 111.5 | 68% | 0.684 | 63% | 0.628 | S | S | * | * | trans | 71 | 80.4 | 147.6 | -54.4 | -23 | 0 | 0 | 0 | 121.1 | ||||
| 1313 | I | 25.4 | Very low | 34.2 | Very low | 172 Ų | 172 | 109.8 Ų | 109.8 | 88% | 0.882 | 61% | 0.611 | S | S | * | * | trans | -135.7 | 92.4 | 142.4 | -54.5 | 178.5 | 0 | 0 | 0 | 107.9 | ||||
| 1314 | N | 28 | Very low | 36.4 | Very low | 151 Ų | 151 | 102.7 Ų | 102.7 | 81% | 0.807 | 57% | 0.574 | S | S | * | * | trans | -87.4 | 135.4 | 177.5 | -85.5 | -23.3 | 0 | 0 | 0 | 111.8 | ||||
| 1315 | V | 30.5 | Very low | 38.6 | Very low | 119 Ų | 119 | 98 Ų | 98 | 72% | 0.721 | 54% | 0.542 | S | S | * | . | trans | -78 | 123.6 | 178 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1316 | S | 31.9 | Very low | 40.9 | Very low | 88 Ų | 88 | 90.6 Ų | 90.6 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | trans | -109.3 | 4.1 | -165 | 59.8 | 0 | 0 | 0 | 0 | 117.5 | T1319 | S1316-T1319 PolarHBondContact O-OG1 3.48Å; S1316-T1319 VanDerWaalsContact O-OG1 3.09Å | ||
| 1317 | T | 38 | Very low | 43.1 | Very low | 57 Ų | 57 | 86.8 Ų | 86.8 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -78.3 | -37.3 | 180 | 34.3 | 0 | 0 | 0 | 0 | 116.5 | T1319 S1320 | T1317-T1319 VanDerWaalsContact C-N 3.29Å; T1317-T1319 PolarHBondContact O-N 3.02Å; T1317-S1320 PolarHBondContact O-OG 3.2Å |
| 1318 | P | 43.2 | Very low | 45.6 | Very low | 52 Ų | 52 | 77.7 Ų | 77.7 | 34% | 0.338 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.7 | -19.4 | -177.2 | 24.4 | -30.3 | 0 | 0 | 0 | 113.8 | I1322 | P1318-I1322 WeakPolarHBondContact O-CD1 3.19Å; P1318-I1322 VanDerWaalsContact O-CG1 3.26Å; P1318-I1322 WeakPolarHBondContact O-CG1 3.26Å; P1318-I1322 PolarHBondContact O-N 2.87Å |
| 1319 | T | 51.4 | Low | 47.9 | Very low | 66 Ų | 66 | 73.9 Ų | 73.9 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | -175.2 | 45.7 | 0 | 0 | 0 | 0 | 113.7 | S1316 T1317 Q1323 | S1316-T1319 PolarHBondContact O-OG1 3.48Å; S1316-T1319 VanDerWaalsContact O-OG1 3.09Å; T1317-T1319 VanDerWaalsContact C-N 3.29Å; T1317-T1319 PolarHBondContact O-N 3.02Å; T1319-Q1323 WeakPolarHBondContact O-CG 3.24Å; T1319-Q1323 PolarHBondContact O-N 3.04Å |
| 1320 | S | 61.2 | Low | 50 | Low | 23 Ų | 23 | 68.1 Ų | 68.1 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74.2 | -40.2 | -177.9 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | T1317 I1322 Q1323 L1324 | T1317-S1320 PolarHBondContact O-OG 3.2Å; S1320-I1322 PolarHBondContact O-N 3.34Å; S1320-Q1323 PolarHBondContact O-N 3.04Å; S1320-L1324 WeakPolarHBondContact O-CB 3.44Å; S1320-L1324 PolarHBondContact O-N 2.82Å |
| 1321 | F | 64.3 | Low | 51.8 | Low | 41 Ų | 41 | 64 Ų | 64 | 18% | 0.18 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 176.3 | -75.4 | -51.4 | 0 | 0 | 0 | 112.7 | F1152 F1248 Y1251 L1324 A1325 | F1152-F1321 HydrophobicContact CD1-CD1 4.08Å; F1152-F1321 AromaticContact CD1-CE1 3.68Å; F1152-F1321 HydrophobicContact CD1-CE1 3.68Å; F1152-F1321 HydrophobicContact CD1-CZ 4.02Å; F1152-F1321 AromaticContact CE1-CD1 3.15Å; F1152-F1321 HydrophobicContact CE1-CD1 3.15Å; F1152-F1321 AromaticContact CE1-CE1 3.12Å; F1152-F1321 HydrophobicContact CE1-CE1 3.12Å; F1152-F1321 AromaticContact CE1-CG 3.96Å; F1152-F1321 HydrophobicContact CE1-CG 3.96Å; F1152-F1321 AromaticContact CE1-CZ 3.89Å; F1152-F1321 HydrophobicContact CE1-CZ 3.89Å; F1152-F1321 AromaticContact CZ-CD1 3.68Å; F1152-F1321 HydrophobicContact CZ-CD1 3.68Å; F1152-F1321 AromaticContact CZ-CE1 3.68Å; F1152-F1321 HydrophobicContact CZ-CE1 3.68Å; F1248-F1321 HydrophobicContact CB-CD1 4.26Å; F1248-F1321 HydrophobicContact CB-CE1 3.73Å; F1248-F1321 AromaticContact CD2-CD1 3.24Å; F1248-F1321 HydrophobicContact CD2-CD1 3.24Å; F1248-F1321 AromaticContact CD2-CE1 3.64Å; F1248-F1321 HydrophobicContact CD2-CE1 3.64Å; F1248-F1321 HydrophobicContact CD2-CG 4.18Å; F1248-F1321 AromaticContact CE2-CD1 3.93Å; F1248-F1321 HydrophobicContact CE2-CD1 3.93Å; F1248-F1321 HydrophobicContact CG-CD1 4.16Å; F1248-F1321 HydrophobicContact CG-CE1 4.13Å; Y1251-F1321 HydrophobicContact CD1-CB 3.7Å; Y1251-F1321 HydrophobicContact CD1-CD2 4.49Å; Y1251-F1321 HydrophobicContact CD1-CG 4.09Å; Y1251-F1321 HydrophobicContact CD2-CD2 4.31Å; Y1251-F1321 HydrophobicContact CE1-CB 3.54Å; Y1251-F1321 HydrophobicContact CE1-CG 4.39Å; Y1251-F1321 HydrophobicContact CE2-CB 4.45Å; Y1251-F1321 HydrophobicContact CG-CB 4.24Å; Y1251-F1321 HydrophobicContact CG-CD2 4.19Å; Y1251-F1321 HydrophobicContact CG-CG 4.24Å; F1321-L1324 PolarHBondContact O-N 3.36Å; F1321-A1325 VanDerWaalsContact O-CB 3.3Å; F1321-A1325 WeakPolarHBondContact O-CB 3.42Å; F1321-A1325 PolarHBondContact O-N 3.21Å |
| 1322 | I | 63.5 | Low | 53.3 | Low | 34 Ų | 34 | 61.8 Ų | 61.8 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 175.5 | -65 | 167.8 | 0 | 0 | 0 | 110.3 | Y1251 P1318 S1320 L1324 A1325 S1326 | Y1251-I1322 VanDerWaalsContact OH-CG1 3.26Å; Y1251-I1322 WeakPolarHBondContact OH-CG1 3.5Å; P1318-I1322 WeakPolarHBondContact O-CD1 3.19Å; P1318-I1322 VanDerWaalsContact O-CG1 3.26Å; P1318-I1322 WeakPolarHBondContact O-CG1 3.26Å; P1318-I1322 PolarHBondContact O-N 2.87Å; S1320-I1322 PolarHBondContact O-N 3.34Å; I1322-L1324 VanDerWaalsContact C-N 3.34Å; I1322-L1324 PolarHBondContact O-N 3.09Å; I1322-A1325 PolarHBondContact O-N 3.4Å; I1322-S1326 WeakPolarHBondContact O-CB 3.33Å; I1322-S1326 PolarHBondContact O-N 3.24Å; I1322-S1326 PolarHBondContact O-OG 3.06Å |
| 1323 | Q | 64.3 | Low | 54.5 | Low | 86 Ų | 86 | 61.3 Ų | 61.3 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 175.8 | -75.9 | 179.1 | -16.3 | 0 | 0 | 111.5 | T1319 S1320 S1326 F1327 | T1319-Q1323 WeakPolarHBondContact O-CG 3.24Å; T1319-Q1323 PolarHBondContact O-N 3.04Å; S1320-Q1323 PolarHBondContact O-N 3.04Å; Q1323-S1326 PolarHBondContact O-N 3.47Å; Q1323-S1326 PolarHBondContact O-OG 3.36Å; Q1323-F1327 WeakPolarHBondContact O-CB 3.46Å; Q1323-F1327 PolarHBondContact O-N 3.5Å |
| 1324 | L | 68.4 | Low | 55.4 | Low | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 178.6 | -159.7 | 110.5 | 0 | 0 | 0 | 112.5 | L1113 P1151 F1152 W1202 V1203 F1248 S1320 F1321 I1322 F1327 I1328 | L1113-L1324 HydrophobicContact CD1-CD1 4.46Å; L1113-L1324 HydrophobicContact CD2-CD1 4.04Å; P1151-L1324 HydrophobicContact CB-CD1 4.24Å; F1152-L1324 HydrophobicContact CE2-CD1 4.05Å; F1152-L1324 HydrophobicContact CZ-CB 4.38Å; F1152-L1324 HydrophobicContact CZ-CD1 3.94Å; F1152-L1324 HydrophobicContact CZ-CD2 4.14Å; F1152-L1324 HydrophobicContact CZ-CG 4.38Å; W1202-L1324 HydrophobicContact CH2-CD2 3.94Å; W1202-L1324 HydrophobicContact CZ3-CD2 3.82Å; V1203-L1324 HydrophobicContact CG1-CD1 4.01Å; V1203-L1324 HydrophobicContact CG2-CD1 3.75Å; V1203-L1324 HydrophobicContact CG2-CD2 4.42Å; F1248-L1324 HydrophobicContact CD1-CD2 4.26Å; F1248-L1324 HydrophobicContact CD2-CD2 4.26Å; F1248-L1324 HydrophobicContact CE1-CD2 3.82Å; F1248-L1324 HydrophobicContact CE2-CD2 3.8Å; F1248-L1324 HydrophobicContact CG-CD2 4.42Å; F1248-L1324 HydrophobicContact CZ-CD2 3.56Å; S1320-L1324 WeakPolarHBondContact O-CB 3.44Å; S1320-L1324 PolarHBondContact O-N 2.82Å; F1321-L1324 PolarHBondContact O-N 3.36Å; I1322-L1324 VanDerWaalsContact C-N 3.34Å; I1322-L1324 PolarHBondContact O-N 3.09Å; L1324-F1327 PolarHBondContact O-N 3.25Å; L1324-I1328 HydrophobicContact CD2-CD1 3.49Å; L1324-I1328 VanDerWaalsContact CD2-CD1 3.49Å; L1324-I1328 HydrophobicContact CG-CD1 3.99Å; L1324-I1328 WeakPolarHBondContact O-CG1 3.43Å; L1324-I1328 PolarHBondContact O-N 3.45Å |
| 1325 | A | 67.2 | Low | 56.1 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1248 L1252 I1277 F1321 I1322 F1327 I1328 F1329 | F1248-A1325 HydrophobicContact CE2-CB 4.47Å; F1248-A1325 HydrophobicContact CZ-CB 4.39Å; L1252-A1325 HydrophobicContact CD2-CB 4.1Å; I1277-A1325 HydrophobicContact CD1-CB 4.43Å; F1321-A1325 VanDerWaalsContact O-CB 3.3Å; F1321-A1325 WeakPolarHBondContact O-CB 3.42Å; F1321-A1325 PolarHBondContact O-N 3.21Å; I1322-A1325 PolarHBondContact O-N 3.4Å; A1325-F1327 VanDerWaalsContact C-N 3.25Å; A1325-F1327 PolarHBondContact O-N 2.64Å; A1325-I1328 PolarHBondContact O-N 3.2Å; A1325-F1329 VanDerWaalsContact O-CD2 3.23Å; A1325-F1329 WeakPolarHBondContact O-CD2 3.45Å; A1325-F1329 PolarHBondContact O-N 2.9Å |
| 1326 | S | 68.3 | Low | 56.8 | Low | 47 Ų | 47 | 56.1 Ų | 56.1 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -36.6 | 176 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | I1322 Q1323 N1330 | I1322-S1326 WeakPolarHBondContact O-CB 3.33Å; I1322-S1326 PolarHBondContact O-N 3.24Å; I1322-S1326 PolarHBondContact O-OG 3.06Å; Q1323-S1326 PolarHBondContact O-N 3.47Å; Q1323-S1326 PolarHBondContact O-OG 3.36Å; S1326-N1330 WeakPolarHBondContact O-CB 3.43Å; S1326-N1330 PolarHBondContact O-N 3.21Å; S1326-N1330 VanDerWaalsContact O-N 3.1Å; S1326-N1330 PolarHBondContact O-ND2 3.21Å |
| 1327 | F | 69.1 | Low | 57 | Low | 38 Ų | 38 | 60.4 Ų | 60.4 | 17% | 0.167 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.3 | -46.6 | 179 | -176.3 | -95.7 | 0 | 0 | 0 | 112.3 | L1113 Y1117 Q1323 L1324 A1325 F1329 S1331 | L1113-F1327 HydrophobicContact CB-CD1 4.01Å; L1113-F1327 HydrophobicContact CB-CD2 4.08Å; L1113-F1327 HydrophobicContact CB-CE1 3.79Å; L1113-F1327 HydrophobicContact CB-CE2 3.87Å; L1113-F1327 HydrophobicContact CB-CG 4.14Å; L1113-F1327 HydrophobicContact CB-CZ 3.72Å; L1113-F1327 HydrophobicContact CD1-CB 4.28Å; L1113-F1327 HydrophobicContact CD1-CD1 4.32Å; L1113-F1327 HydrophobicContact CD1-CG 4.12Å; L1113-F1327 HydrophobicContact CD2-CD1 4.11Å; L1113-F1327 HydrophobicContact CD2-CE1 4.27Å; L1113-F1327 HydrophobicContact CG-CD1 4.38Å; L1113-F1327 WeakPolarHBondContact O-CZ 3.22Å; Y1117-F1327 HydrophobicContact CG-CZ 4.12Å; Q1323-F1327 WeakPolarHBondContact O-CB 3.46Å; Q1323-F1327 PolarHBondContact O-N 3.5Å; L1324-F1327 PolarHBondContact O-N 3.25Å; A1325-F1327 VanDerWaalsContact C-N 3.25Å; A1325-F1327 PolarHBondContact O-N 2.64Å; F1327-F1329 PolarHBondContact O-N 3.42Å; F1327-S1331 WeakPolarHBondContact O-CB 3.28Å; F1327-S1331 PolarHBondContact O-N 3.48Å |
| 1328 | I | 71.5 | Confident | 56.8 | Low | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | -177.5 | -71.1 | 170.4 | 0 | 0 | 0 | 111 | L1206 V1207 N1210 F1248 L1324 A1325 L1359 | L1206-I1328 HydrophobicContact CB-CD1 4.1Å; L1206-I1328 HydrophobicContact CD1-CD1 3.98Å; V1207-I1328 HydrophobicContact CG2-CG1 4.44Å; N1210-I1328 HydrophobicContact CB-CG2 3.94Å; N1210-I1328 WeakPolarHBondContact ND2-CG2 3.38Å; N1210-I1328 PolarHBondContact ND2-O 3.2Å; F1248-I1328 HydrophobicContact CE1-CD1 4Å; F1248-I1328 HydrophobicContact CZ-CD1 4.13Å; L1324-I1328 HydrophobicContact CD2-CD1 3.49Å; L1324-I1328 VanDerWaalsContact CD2-CD1 3.49Å; L1324-I1328 HydrophobicContact CG-CD1 3.99Å; L1324-I1328 WeakPolarHBondContact O-CG1 3.43Å; L1324-I1328 PolarHBondContact O-N 3.45Å; A1325-I1328 PolarHBondContact O-N 3.2Å; I1328-L1359 HydrophobicContact CG2-CD2 4.09Å |
| 1329 | F | 70.3 | Confident | 56.2 | Low | 25 Ų | 25 | 69 Ų | 69 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -88 | -26.4 | -174.8 | -64.6 | -70 | 0 | 0 | 0 | 114.1 | L1252 A1325 F1327 V1351 E1355 I1356 L1359 | L1252-F1329 HydrophobicContact CD2-CE2 4.34Å; A1325-F1329 VanDerWaalsContact O-CD2 3.23Å; A1325-F1329 WeakPolarHBondContact O-CD2 3.45Å; A1325-F1329 PolarHBondContact O-N 2.9Å; F1327-F1329 PolarHBondContact O-N 3.42Å; F1329-V1351 HydrophobicContact CB-CG2 3.96Å; F1329-V1351 HydrophobicContact CD1-CG1 3.89Å; F1329-V1351 HydrophobicContact CD2-CG1 4Å; F1329-V1351 HydrophobicContact CD2-CG2 3.92Å; F1329-V1351 HydrophobicContact CE1-CG1 4.07Å; F1329-V1351 HydrophobicContact CE2-CG1 4.17Å; F1329-V1351 HydrophobicContact CG-CG1 3.88Å; F1329-V1351 HydrophobicContact CG-CG2 3.98Å; F1329-V1351 HydrophobicContact CZ-CG1 4.21Å; F1329-E1355 HydrophobicContact CD1-CB 4.24Å; F1329-E1355 HydrophobicContact CE1-CB 4Å; F1329-I1356 HydrophobicContact CZ-CG1 4.14Å; F1329-L1359 HydrophobicContact CE1-CD2 4.18Å; F1329-L1359 HydrophobicContact CZ-CD2 3.85Å |
| 1330 | N | 65.9 | Low | 55.1 | Low | 57 Ų | 57 | 74.1 Ų | 74.1 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -100.3 | -0 | -177.6 | -64.7 | -33.5 | 0 | 0 | 0 | 115.3 | S1326 D1332 N1333 A1334 A1349 | S1326-N1330 WeakPolarHBondContact O-CB 3.43Å; S1326-N1330 PolarHBondContact O-N 3.21Å; S1326-N1330 VanDerWaalsContact O-N 3.1Å; S1326-N1330 PolarHBondContact O-ND2 3.21Å; N1330-D1332 PolarHBondContact O-N 3.37Å; N1330-D1332 VanDerWaalsContact O-N 3.14Å; N1330-N1333 PolarHBondContact O-N 3.28Å; N1330-N1333 VanDerWaalsContact O-N 3.15Å; N1330-A1334 PolarHBondContact O-N 3.09Å; N1330-A1349 WeakPolarHBondContact ND2-CB 3.41Å |
| 1331 | S | 58.4 | Low | 53.5 | Low | 15 Ų | 15 | 79.5 Ų | 79.5 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.9 | -33.4 | -170 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | Y1117 F1327 N1333 A1334 | Y1117-S1331 VanDerWaalsContact CE2-CB 3.47Å; Y1117-S1331 VanDerWaalsContact CE2-OG 3.3Å; Y1117-S1331 WeakPolarHBondContact CE2-OG 3.34Å; Y1117-S1331 VanDerWaalsContact CZ-CB 3.45Å; Y1117-S1331 PolarHBondContact OH-O 3.32Å; F1327-S1331 WeakPolarHBondContact O-CB 3.28Å; F1327-S1331 PolarHBondContact O-N 3.48Å; S1331-N1333 PolarHBondContact O-N 3.13Å; S1331-A1334 PolarHBondContact O-N 2.88Å |
| 1332 | D | 54.2 | Low | 51.7 | Low | 90 Ų | 90 | 85.8 Ų | 85.8 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.4 | -29.4 | -177.4 | -70.8 | -7.3 | 0 | 0 | 0 | 112.8 | Y1117 N1330 | Y1117-D1332 PolarHBondContact OH-OD1 2.95Å; N1330-D1332 PolarHBondContact O-N 3.37Å; N1330-D1332 VanDerWaalsContact O-N 3.14Å |
| 1333 | N | 50.3 | Low | 49.9 | Very low | 119 Ų | 119 | 90.3 Ų | 90.3 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -80.9 | -23.3 | 177.5 | -77.5 | -26.1 | 0 | 0 | 0 | 113.2 | N1330 S1331 I1335 Q1336 | N1330-N1333 PolarHBondContact O-N 3.28Å; N1330-N1333 VanDerWaalsContact O-N 3.15Å; S1331-N1333 PolarHBondContact O-N 3.13Å; N1333-I1335 VanDerWaalsContact C-N 3.33Å; N1333-I1335 PolarHBondContact O-N 3.09Å; N1333-Q1336 PolarHBondContact O-N 3.19Å |
| 1334 | A | 42.7 | Very low | 48.2 | Very low | 65 Ų | 65 | 91.4 Ų | 91.4 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.9 | -26.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1330 S1331 | N1330-A1334 PolarHBondContact O-N 3.09Å; S1331-A1334 PolarHBondContact O-N 2.88Å |
| 1335 | I | 44.4 | Very low | 46.3 | Very low | 94 Ų | 94 | 99.2 Ų | 99.2 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.3 | -28.4 | -179.6 | -64.8 | 172.3 | 0 | 0 | 0 | 112 | Y1117 I1121 N1333 | Y1117-I1335 HydrophobicContact CE1-CD1 3.66Å; Y1117-I1335 HydrophobicContact CE1-CG1 4.28Å; I1121-I1335 HydrophobicContact CD1-CD1 3.49Å; I1121-I1335 VanDerWaalsContact CD1-CD1 3.49Å; N1333-I1335 VanDerWaalsContact C-N 3.33Å; N1333-I1335 PolarHBondContact O-N 3.09Å |
| 1336 | Q | 44.2 | Very low | 44.6 | Very low | 174 Ų | 174 | 106.3 Ų | 106.3 | 81% | 0.813 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -83.1 | -15.6 | -176.2 | -74.4 | -171.7 | -1.8 | 0 | 0 | 114.9 | N1333 | N1333-Q1336 PolarHBondContact O-N 3.19Å |
| 1337 | K | 36.2 | Very low | 43 | Very low | 178 Ų | 178 | 111.5 Ų | 111.5 | 77% | 0.774 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -113.8 | 0.2 | -174.7 | -77 | -172.8 | 177.8 | 179 | 0 | 115.8 | E1339 | K1337-E1339 PolarHBondContact O-N 3.46Å |
| 1338 | S | 33.3 | Very low | 41.6 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 23.9 | -172 | 66.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1339 | E | 32.3 | Very low | 40.4 | Very low | 193 Ų | 193 | 113 Ų | 113 | 90% | 0.902 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -12.6 | 164.7 | -85.9 | -166 | 164.4 | 0 | 0 | 114.3 | K1337 | K1337-E1339 PolarHBondContact O-N 3.46Š|
| 1340 | Q | 27.9 | Very low | 39.4 | Very low | 174 Ų | 174 | 115.3 Ų | 115.3 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -148 | 143.9 | 172.1 | -69.2 | -173.8 | -13.2 | 0 | 0 | 113.9 | ||
| 1341 | V | 27.8 | Very low | 39.1 | Very low | 136 Ų | 136 | 112.6 Ų | 112.6 | 82% | 0.824 | 61% | 0.614 | S | S | * | * | trans | 107.3 | 107.3 | 156.2 | -170.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1342 | Q | 24.9 | Very low | 39.6 | Very low | 173 Ų | 173 | 113.1 Ų | 113.1 | 81% | 0.808 | 62% | 0.616 | S | S | * | * | trans | -73.1 | 153.5 | 156.4 | -68.7 | 170.3 | -24.5 | 0 | 0 | 110.9 | ||||
| 1343 | T | 27.3 | Very low | 40.2 | Very low | 129 Ų | 129 | 109.5 Ų | 109.5 | 79% | 0.791 | 60% | 0.597 | S | S | * | * | trans | 69 | 91.9 | 160.6 | 56.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1344 | S | 27 | Very low | 41.2 | Very low | 109 Ų | 109 | 107.8 Ų | 107.8 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | 163.7 | 111.4 | 127 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | N1346 | S1344-N1346 VanDerWaalsContact C-N 3.28Å; S1344-N1346 PolarHBondContact O-N 2.91Å; S1344-N1346 VanDerWaalsContact O-N 3.11Å | |||
| 1345 | L | 29.5 | Very low | 42.7 | Very low | 167 Ų | 167 | 108.3 Ų | 108.3 | 87% | 0.874 | 58% | 0.579 | S | S | * | * | trans | -86.8 | 43.9 | -170 | -152.2 | 106.8 | 0 | 0 | 0 | 113.1 | ||||
| 1346 | N | 30.7 | Very low | 44.3 | Very low | 151 Ų | 151 | 104.1 Ų | 104.1 | 81% | 0.807 | 56% | 0.557 | S | S | * | * | trans | -112.3 | 29.4 | -176.5 | -84.3 | 5 | 0 | 0 | 0 | 114 | S1344 S1348 | S1344-N1346 VanDerWaalsContact C-N 3.28Å; S1344-N1346 PolarHBondContact O-N 2.91Å; S1344-N1346 VanDerWaalsContact O-N 3.11Å; N1346-S1348 PolarHBondContact O-N 2.88Å | ||
| 1347 | N | 36 | Very low | 46 | Very low | 156 Ų | 156 | 95.9 Ų | 95.9 | 83% | 0.834 | 52% | 0.519 | S | S | * | . | trans | -93.2 | 100.4 | 172.8 | -70.8 | -10 | 0 | 0 | 0 | 109.4 | A1349 | N1347-A1349 PolarHBondContact O-N 2.87Š| ||
| 1348 | S | 39 | Very low | 48.1 | Very low | 60 Ų | 60 | 89 Ų | 89 | 42% | 0.42 | 49% | 0.493 | S | S | . | . | trans | -57.7 | 124.1 | 169.4 | 40.3 | 0 | 0 | 0 | 0 | 109.4 | E1276 N1346 V1350 | E1276-S1348 WeakPolarHBondContact OE1-CB 3.46Å; E1276-S1348 PolarHBondContact OE1-OG 2.98Å; N1346-S1348 PolarHBondContact O-N 2.88Å; S1348-V1350 PolarHBondContact O-N 3.05Å | ||
| 1349 | A | 45.3 | Very low | 50.4 | Low | 13 Ų | 13 | 84.5 Ų | 84.5 | 11% | 0.107 | 46% | 0.461 | C | S | . | . | trans | -72.7 | 117 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | N1330 N1347 V1351 | N1330-A1349 WeakPolarHBondContact ND2-CB 3.41Å; N1347-A1349 PolarHBondContact O-N 2.87Å; A1349-V1351 HydrophobicContact CB-CG2 4.34Å; A1349-V1351 PolarHBondContact O-N 3.23Å | ||
| 1350 | V | 50.6 | Low | 52.8 | Low | 73 Ų | 73 | 75.3 Ų | 75.3 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 99.1 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 107.2 | Y1274 S1348 | Y1274-V1350 HydrophobicContact CD1-CB 4.48Å; Y1274-V1350 HydrophobicContact CD1-CG1 2.99Å; Y1274-V1350 HydrophobicContact CD2-CG1 4.47Å; Y1274-V1350 HydrophobicContact CE1-CG1 3.62Å; Y1274-V1350 HydrophobicContact CG-CG1 3.47Å; Y1274-V1350 VanDerWaalsContact CG-CG1 3.47Å; S1348-V1350 PolarHBondContact O-N 3.05Å |
| 1351 | V | 60.1 | Low | 55.3 | Low | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.2 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | I1275 I1277 F1329 A1349 E1355 I1356 | I1275-V1351 PolarHBondContact N-O 3.19Å; I1275-V1351 VanDerWaalsContact N-O 3.09Å; I1275-V1351 PolarHBondContact O-N 3.11Å; I1277-V1351 HydrophobicContact CD1-CG2 4.04Å; F1329-V1351 HydrophobicContact CB-CG2 3.96Å; F1329-V1351 HydrophobicContact CD1-CG1 3.89Å; F1329-V1351 HydrophobicContact CD2-CG1 4Å; F1329-V1351 HydrophobicContact CD2-CG2 3.92Å; F1329-V1351 HydrophobicContact CE1-CG1 4.07Å; F1329-V1351 HydrophobicContact CE2-CG1 4.17Å; F1329-V1351 HydrophobicContact CG-CG1 3.88Å; F1329-V1351 HydrophobicContact CG-CG2 3.98Å; F1329-V1351 HydrophobicContact CZ-CG1 4.21Å; A1349-V1351 HydrophobicContact CB-CG2 4.34Å; A1349-V1351 PolarHBondContact O-N 3.23Å; V1351-E1355 HydrophobicContact CG1-CB 4.43Å; V1351-I1356 HydrophobicContact CG1-CD1 3.91Å; V1351-I1356 HydrophobicContact CG1-CG1 3.63Å |
| 1352 | T | 67.7 | Low | 57.9 | Low | 25 Ų | 25 | 66 Ų | 66 | 15% | 0.153 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 145.8 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 111.1 | Y1274 N1354 E1355 I1356 | Y1274-T1352 HydrophobicContact CD1-CG2 3.81Å; Y1274-T1352 HydrophobicContact CE1-CG2 3.63Å; T1352-N1354 PolarHBondContact O-N 3.29Å; T1352-E1355 PolarHBondContact O-N 2.7Å; T1352-E1355 VanDerWaalsContact OG1-CG 3.3Å; T1352-E1355 WeakPolarHBondContact OG1-CG 3.3Å; T1352-E1355 PolarHBondContact OG1-OE1 2.89Å; T1352-I1356 PolarHBondContact O-N 3.05Å |
| 1353 | L | 68.1 | Low | 60.7 | Low | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.3 | -31.8 | 178.6 | -161.6 | 80.9 | 0 | 0 | 0 | 111.9 | I1275 I1356 W1357 F1411 M1422 V1425 | I1275-L1353 HydrophobicContact CD1-CD1 3.65Å; L1353-I1356 PolarHBondContact O-N 3.34Å; L1353-W1357 PolarHBondContact O-N 3.08Å; L1353-F1411 HydrophobicContact CD2-CE2 4.38Å; L1353-F1411 HydrophobicContact CD2-CZ 4.1Å; L1353-M1422 HydrophobicContact CD2-SD 4.45Å; L1353-V1425 HydrophobicContact CD2-CG1 3.8Å; L1353-V1425 HydrophobicContact CD2-CG2 4.27Å; L1353-V1425 HydrophobicContact CG-CG1 4.14Å |
| 1354 | N | 70.8 | Confident | 63.3 | Low | 83 Ų | 83 | 51.8 Ų | 51.8 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 179 | -67 | 14.8 | 0 | 0 | 0 | 112.3 | T1352 S1358 V1425 | T1352-N1354 PolarHBondContact O-N 3.29Å; N1354-S1358 VanDerWaalsContact O-CB 3.23Å; N1354-S1358 WeakPolarHBondContact O-CB 3.49Å; N1354-S1358 PolarHBondContact O-N 3.2Å; N1354-S1358 PolarHBondContact O-OG 3.07Å; N1354-V1425 WeakPolarHBondContact OD1-CG2 3.29Å |
| 1355 | E | 74.4 | Confident | 65.9 | Low | 76 Ų | 76 | 51.4 Ų | 51.4 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.7 | -75.3 | 161.3 | -143.7 | 0 | 0 | 111.7 | F1329 V1351 T1352 S1358 L1359 | F1329-E1355 HydrophobicContact CD1-CB 4.24Å; F1329-E1355 HydrophobicContact CE1-CB 4Å; V1351-E1355 HydrophobicContact CG1-CB 4.43Å; T1352-E1355 PolarHBondContact O-N 2.7Å; T1352-E1355 VanDerWaalsContact OG1-CG 3.3Å; T1352-E1355 WeakPolarHBondContact OG1-CG 3.3Å; T1352-E1355 PolarHBondContact OG1-OE1 2.89Å; E1355-S1358 WeakPolarHBondContact CA-OG 3.34Å; E1355-S1358 PolarHBondContact O-OG 3.15Å; E1355-L1359 WeakPolarHBondContact O-CB 3.45Å; E1355-L1359 PolarHBondContact O-N 3.25Å |
| 1356 | I | 76.7 | Confident | 68.5 | Low | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -52.2 | 179 | -62.2 | 171.7 | 0 | 0 | 0 | 110.2 | L1252 F1329 V1351 T1352 L1353 L1359 V1360 | L1252-I1356 HydrophobicContact CB-CG2 4.42Å; F1329-I1356 HydrophobicContact CZ-CG1 4.14Å; V1351-I1356 HydrophobicContact CG1-CD1 3.91Å; V1351-I1356 HydrophobicContact CG1-CG1 3.63Å; T1352-I1356 PolarHBondContact O-N 3.05Å; L1353-I1356 PolarHBondContact O-N 3.34Å; I1356-L1359 PolarHBondContact O-N 2.6Å; I1356-V1360 HydrophobicContact CG2-CG2 4.39Å; I1356-V1360 WeakPolarHBondContact O-CG2 3.04Å; I1356-V1360 PolarHBondContact O-N 3.34Å |
| 1357 | W | 81 | Confident | 71 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.3 | -31.9 | -176 | -78.1 | 102.5 | 0 | 0 | 0 | 113.6 | L1353 V1360 N1361 V1408 F1411 V1425 C1428 A1429 T1432 | L1353-W1357 PolarHBondContact O-N 3.08Å; W1357-V1360 HydrophobicContact CE3-CB 4.4Å; W1357-V1360 HydrophobicContact CE3-CG1 4.39Å; W1357-V1360 HydrophobicContact CZ3-CG1 4.36Å; W1357-V1360 PolarHBondContact O-N 3.46Å; W1357-N1361 WeakPolarHBondContact O-CB 3.2Å; W1357-N1361 PolarHBondContact O-N 2.89Å; W1357-V1408 HydrophobicContact CH2-CB 4.22Å; W1357-V1408 HydrophobicContact CH2-CG1 4.05Å; W1357-V1408 HydrophobicContact CH2-CG2 3.89Å; W1357-V1408 HydrophobicContact CZ3-CB 4.41Å; W1357-V1408 HydrophobicContact CZ3-CG1 3.95Å; W1357-V1408 HydrophobicContact CZ3-CG2 3.9Å; W1357-F1411 HydrophobicContact CD2-CE1 4.35Å; W1357-F1411 AromaticContact CE2-CD1 3.71Å; W1357-F1411 AromaticContact CE2-CE1 3.58Å; W1357-F1411 AromaticContact CE2-CZ 3.85Å; W1357-F1411 HydrophobicContact CH2-CB 4.25Å; W1357-F1411 AromaticContact CH2-CD1 3.89Å; W1357-F1411 HydrophobicContact CH2-CD1 3.89Å; W1357-F1411 HydrophobicContact CH2-CG 4.14Å; W1357-F1411 HydrophobicContact CZ2-CB 3.89Å; W1357-F1411 AromaticContact CZ2-CD1 3.29Å; W1357-F1411 HydrophobicContact CZ2-CD1 3.29Å; W1357-F1411 AromaticContact CZ2-CD2 3.89Å; W1357-F1411 HydrophobicContact CZ2-CD2 3.89Å; W1357-F1411 AromaticContact CZ2-CE1 3.7Å; W1357-F1411 HydrophobicContact CZ2-CE1 3.7Å; W1357-F1411 HydrophobicContact CZ2-CE2 4.25Å; W1357-F1411 AromaticContact CZ2-CG 3.4Å; W1357-F1411 HydrophobicContact CZ2-CG 3.4Å; W1357-F1411 HydrophobicContact CZ2-CZ 4.16Å; W1357-F1411 AromaticContact NE1-CE1 3.57Å; W1357-F1411 AromaticContact NE1-CE2 3.7Å; W1357-F1411 AromaticContact NE1-CZ 3.35Å; W1357-V1425 HydrophobicContact CB-CG1 4.05Å; W1357-V1425 HydrophobicContact CG-CG1 3.72Å; W1357-C1428 HydrophobicContact CB-CB 4.2Å; W1357-A1429 HydrophobicContact CD2-CB 4.13Å; W1357-A1429 HydrophobicContact CE3-CB 3.72Å; W1357-A1429 HydrophobicContact CH2-CB 4.26Å; W1357-A1429 HydrophobicContact CZ3-CB 3.79Å; W1357-T1432 HydrophobicContact CE3-CG2 4.5Å |
| 1358 | S | 79.3 | Confident | 73.2 | Confident | 33 Ų | 33 | 31 Ų | 31 | 23% | 0.231 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 172.7 | 60.6 | 0 | 0 | 0 | 0 | 112 | N1354 E1355 N1361 R1362 | N1354-S1358 VanDerWaalsContact O-CB 3.23Å; N1354-S1358 WeakPolarHBondContact O-CB 3.49Å; N1354-S1358 PolarHBondContact O-N 3.2Å; N1354-S1358 PolarHBondContact O-OG 3.07Å; E1355-S1358 WeakPolarHBondContact CA-OG 3.34Å; E1355-S1358 PolarHBondContact O-OG 3.15Å; S1358-N1361 PolarHBondContact O-N 3.32Å; S1358-R1362 WeakPolarHBondContact O-CG 3.3Å; S1358-R1362 PolarHBondContact O-N 3.27Å |
| 1359 | L | 82.4 | Confident | 75.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 173.3 | -176.6 | 63.1 | 0 | 0 | 0 | 111.7 | L1206 L1209 N1210 I1328 F1329 E1355 I1356 N1361 R1362 T1363 | L1206-L1359 HydrophobicContact CD2-CD1 4.27Å; L1206-L1359 HydrophobicContact CD2-CG 4.39Å; L1209-L1359 HydrophobicContact CB-CD1 4.24Å; N1210-L1359 HydrophobicContact CB-CD1 3.92Å; I1328-L1359 HydrophobicContact CG2-CD2 4.09Å; F1329-L1359 HydrophobicContact CE1-CD2 4.18Å; F1329-L1359 HydrophobicContact CZ-CD2 3.85Å; E1355-L1359 WeakPolarHBondContact O-CB 3.45Å; E1355-L1359 PolarHBondContact O-N 3.25Å; I1356-L1359 PolarHBondContact O-N 2.6Å; L1359-N1361 VanDerWaalsContact C-N 3.28Å; L1359-N1361 PolarHBondContact O-N 3.06Å; L1359-R1362 PolarHBondContact O-N 3.02Å; L1359-T1363 HydrophobicContact CD1-CG2 4.29Å; L1359-T1363 HydrophobicContact CG-CG2 4.49Å; L1359-T1363 WeakPolarHBondContact O-CB 3.23Å; L1359-T1363 WeakPolarHBondContact O-CG2 3.36Å; L1359-T1363 PolarHBondContact O-N 3.24Å; L1359-T1363 PolarHBondContact O-OG1 3.08Å |
| 1360 | V | 81.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L1249 I1356 W1357 T1363 T1364 T1432 | L1249-V1360 HydrophobicContact CD2-CG2 3.94Å; I1356-V1360 HydrophobicContact CG2-CG2 4.39Å; I1356-V1360 WeakPolarHBondContact O-CG2 3.04Å; I1356-V1360 PolarHBondContact O-N 3.34Å; W1357-V1360 HydrophobicContact CE3-CB 4.4Å; W1357-V1360 HydrophobicContact CE3-CG1 4.39Å; W1357-V1360 HydrophobicContact CZ3-CG1 4.36Å; W1357-V1360 PolarHBondContact O-N 3.46Å; V1360-T1363 VanDerWaalsContact C-OG1 3.3Å; V1360-T1363 VanDerWaalsContact CA-OG1 3.3Å; V1360-T1363 WeakPolarHBondContact CA-OG1 3.26Å; V1360-T1363 PolarHBondContact O-OG1 3.33Å; V1360-T1364 WeakPolarHBondContact O-CB 3.47Å; V1360-T1364 PolarHBondContact O-N 2.99Å; V1360-T1364 PolarHBondContact O-OG1 2.8Å; V1360-T1432 HydrophobicContact CB-CG2 4.3Å; V1360-T1432 HydrophobicContact CG1-CG2 3.8Å |
| 1361 | N | 81.8 | Confident | 78.1 | Confident | 13 Ų | 13 | 26.7 Ų | 26.7 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.2 | -52.8 | 176.8 | -168.2 | 19.1 | 0 | 0 | 0 | 112.3 | W1357 S1358 L1359 T1363 T1364 Q1365 C1428 E1431 T1432 | W1357-N1361 WeakPolarHBondContact O-CB 3.2Å; W1357-N1361 PolarHBondContact O-N 2.89Å; S1358-N1361 PolarHBondContact O-N 3.32Å; L1359-N1361 VanDerWaalsContact C-N 3.28Å; L1359-N1361 PolarHBondContact O-N 3.06Å; N1361-T1363 PolarHBondContact O-N 3.16Å; N1361-T1364 PolarHBondContact O-N 3.27Å; N1361-T1364 VanDerWaalsContact O-N 3.11Å; N1361-Q1365 WeakPolarHBondContact O-CG 3.49Å; N1361-Q1365 PolarHBondContact O-N 2.96Å; N1361-Q1365 PolarHBondContact OD1-NE2 2.79Å; N1361-C1428 HydrophobicContact CB-CB 4.29Å; N1361-E1431 PolarHBondContact ND2-OE2 3.23Å; N1361-T1432 HydrophobicContact CB-CG2 3.66Å |
| 1362 | R | 82.4 | Confident | 78.8 | Confident | 101 Ų | 101 | 34.7 Ų | 34.7 | 38% | 0.381 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.8 | -39.8 | 177.9 | -71.1 | 176.1 | -175 | 174.9 | 4.5 | 112.1 | L1209 S1358 L1359 F1366 | L1209-R1362 HydrophobicContact CD2-CB 4.44Å; L1209-R1362 PolarHBondContact O-NH1 3.21Å; S1358-R1362 WeakPolarHBondContact O-CG 3.3Å; S1358-R1362 PolarHBondContact O-N 3.27Å; L1359-R1362 PolarHBondContact O-N 3.02Å; R1362-F1366 WeakPolarHBondContact O-CB 3.46Å; R1362-F1366 PolarHBondContact O-N 3.19Å |
| 1363 | T | 82.7 | Confident | 79.4 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -42.3 | 177.2 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | L1206 L1209 L1359 V1360 N1361 Q1365 F1366 I1367 | L1206-T1363 HydrophobicContact CD2-CG2 3.2Å; L1209-T1363 HydrophobicContact CD1-CG2 3.7Å; L1359-T1363 HydrophobicContact CD1-CG2 4.29Å; L1359-T1363 HydrophobicContact CG-CG2 4.49Å; L1359-T1363 WeakPolarHBondContact O-CB 3.23Å; L1359-T1363 WeakPolarHBondContact O-CG2 3.36Å; L1359-T1363 PolarHBondContact O-N 3.24Å; L1359-T1363 PolarHBondContact O-OG1 3.08Å; V1360-T1363 VanDerWaalsContact C-OG1 3.3Å; V1360-T1363 VanDerWaalsContact CA-OG1 3.3Å; V1360-T1363 WeakPolarHBondContact CA-OG1 3.26Å; V1360-T1363 PolarHBondContact O-OG1 3.33Å; N1361-T1363 PolarHBondContact O-N 3.16Å; T1363-Q1365 PolarHBondContact O-N 3.49Å; T1363-F1366 WeakPolarHBondContact O-CB 3.32Å; T1363-F1366 PolarHBondContact O-N 3Å; T1363-I1367 VanDerWaalsContact O-CG1 3.26Å; T1363-I1367 WeakPolarHBondContact O-CG1 3.42Å; T1363-I1367 PolarHBondContact O-N 3.13Å |
| 1364 | T | 81.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.8 | -55.8 | 0 | 0 | 0 | 0 | 111 | V1360 N1361 F1366 I1367 V1368 L1436 I1439 | V1360-T1364 WeakPolarHBondContact O-CB 3.47Å; V1360-T1364 PolarHBondContact O-N 2.99Å; V1360-T1364 PolarHBondContact O-OG1 2.8Å; N1361-T1364 PolarHBondContact O-N 3.27Å; N1361-T1364 VanDerWaalsContact O-N 3.11Å; T1364-F1366 PolarHBondContact O-N 3.43Å; T1364-I1367 PolarHBondContact O-N 3.41Å; T1364-V1368 WeakPolarHBondContact O-CG2 3.33Å; T1364-V1368 PolarHBondContact O-N 2.75Å; T1364-L1436 HydrophobicContact CG2-CD2 4.06Å; T1364-L1436 HydrophobicContact CG2-CG 3.9Å; T1364-I1439 HydrophobicContact CG2-CD1 4Å |
| 1365 | Q | 82.4 | Confident | 79.7 | Confident | 100 Ų | 100 | 39 Ų | 39 | 47% | 0.467 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.4 | -41 | 175.9 | -69 | -179.7 | 0.8 | 0 | 0 | 112.2 | N1361 T1363 I1367 V1368 A1369 E1431 | N1361-Q1365 WeakPolarHBondContact O-CG 3.49Å; N1361-Q1365 PolarHBondContact O-N 2.96Å; N1361-Q1365 PolarHBondContact OD1-NE2 2.79Å; T1363-Q1365 PolarHBondContact O-N 3.49Å; Q1365-I1367 PolarHBondContact O-N 3.13Å; Q1365-V1368 WeakPolarHBondContact O-CB 3.34Å; Q1365-V1368 PolarHBondContact O-N 3.27Å; Q1365-A1369 PolarHBondContact O-N 2.98Å; Q1365-E1431 PolarHBondContact NE2-OE2 3.33Å |
| 1366 | F | 84.1 | Confident | 79.4 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 173 | 170.1 | -108 | 0 | 0 | 0 | 112.1 | L1209 L1226 I1227 F1230 R1362 T1363 T1364 V1368 A1369 L1370 | L1209-F1366 HydrophobicContact CD1-CB 4.1Å; L1209-F1366 HydrophobicContact CD1-CG 4.41Å; L1226-F1366 HydrophobicContact CB-CD2 4.17Å; L1226-F1366 HydrophobicContact CB-CE2 3.36Å; L1226-F1366 HydrophobicContact CB-CZ 3.76Å; L1226-F1366 HydrophobicContact CD1-CD2 4.48Å; L1226-F1366 HydrophobicContact CD1-CE2 4.33Å; L1226-F1366 HydrophobicContact CG-CE2 4.49Å; I1227-F1366 HydrophobicContact CG1-CD2 4.36Å; I1227-F1366 HydrophobicContact CG1-CE2 3.83Å; F1230-F1366 HydrophobicContact CD2-CE1 4.34Å; F1230-F1366 AromaticContact CD2-CZ 3.88Å; F1230-F1366 HydrophobicContact CD2-CZ 3.88Å; F1230-F1366 HydrophobicContact CE2-CE1 4.07Å; F1230-F1366 HydrophobicContact CE2-CZ 4.02Å; F1230-F1366 HydrophobicContact CG-CZ 4.37Å; F1230-F1366 HydrophobicContact CZ-CE1 4.21Å; R1362-F1366 WeakPolarHBondContact O-CB 3.46Å; R1362-F1366 PolarHBondContact O-N 3.19Å; T1363-F1366 WeakPolarHBondContact O-CB 3.32Å; T1363-F1366 PolarHBondContact O-N 3Å; T1364-F1366 PolarHBondContact O-N 3.43Å; F1366-V1368 VanDerWaalsContact C-N 3.34Å; F1366-V1368 PolarHBondContact O-N 3.1Å; F1366-A1369 PolarHBondContact O-N 3.35Å; F1366-L1370 WeakPolarHBondContact O-CB 3.24Å; F1366-L1370 PolarHBondContact O-N 2.87Å |
| 1367 | I | 82.2 | Confident | 78.9 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 178.2 | -63 | 166.2 | 0 | 0 | 0 | 111 | L1242 T1363 T1364 Q1365 A1369 L1370 I1371 I1439 | L1242-I1367 HydrophobicContact CD2-CD1 4.06Å; L1242-I1367 HydrophobicContact CD2-CG1 3.72Å; L1242-I1367 HydrophobicContact CD2-CG2 4.1Å; T1363-I1367 VanDerWaalsContact O-CG1 3.26Å; T1363-I1367 WeakPolarHBondContact O-CG1 3.42Å; T1363-I1367 PolarHBondContact O-N 3.13Å; T1364-I1367 PolarHBondContact O-N 3.41Å; Q1365-I1367 PolarHBondContact O-N 3.13Å; I1367-A1369 VanDerWaalsContact C-N 3.34Å; I1367-A1369 PolarHBondContact O-N 3.17Å; I1367-L1370 PolarHBondContact O-N 3.41Å; I1367-I1371 HydrophobicContact CG2-CD1 3.85Å; I1367-I1371 WeakPolarHBondContact O-CG1 3.43Å; I1367-I1371 PolarHBondContact O-N 3.1Å; I1367-I1371 VanDerWaalsContact O-N 3.08Å; I1367-I1439 HydrophobicContact CB-CD1 3.74Å; I1367-I1439 HydrophobicContact CG2-CD1 3.46Å; I1367-I1439 VanDerWaalsContact CG2-CD1 3.46Å; I1367-I1439 HydrophobicContact CG2-CG1 3.96Å; I1367-I1439 HydrophobicContact CG2-CG2 4.35Å |
| 1368 | V | 83.3 | Confident | 78.4 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 173 | 175 | 0 | 0 | 0 | 0 | 110.7 | T1364 Q1365 F1366 I1371 R1372 I1439 | T1364-V1368 WeakPolarHBondContact O-CG2 3.33Å; T1364-V1368 PolarHBondContact O-N 2.75Å; Q1365-V1368 WeakPolarHBondContact O-CB 3.34Å; Q1365-V1368 PolarHBondContact O-N 3.27Å; F1366-V1368 VanDerWaalsContact C-N 3.34Å; F1366-V1368 PolarHBondContact O-N 3.1Å; V1368-I1371 PolarHBondContact O-N 3.33Å; V1368-R1372 WeakPolarHBondContact O-CG 3.4Å; V1368-R1372 PolarHBondContact O-N 2.81Å; V1368-R1372 VanDerWaalsContact O-N 3.14Å; V1368-I1439 HydrophobicContact CB-CG1 4.43Å; V1368-I1439 HydrophobicContact CG2-CD1 3.91Å; V1368-I1439 HydrophobicContact CG2-CG1 3.56Å |
| 1369 | A | 81.3 | Confident | 77.9 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1227 Q1365 F1366 I1367 R1372 N1373 | I1227-A1369 HydrophobicContact CD1-CB 3.89Å; Q1365-A1369 PolarHBondContact O-N 2.98Å; F1366-A1369 PolarHBondContact O-N 3.35Å; I1367-A1369 VanDerWaalsContact C-N 3.34Å; I1367-A1369 PolarHBondContact O-N 3.17Å; A1369-R1372 PolarHBondContact O-N 2.99Å; A1369-N1373 PolarHBondContact O-N 3.32Å |
| 1370 | L | 80.7 | Confident | 77 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.8 | -177.8 | 70.6 | 0 | 0 | 0 | 111.8 | I1227 F1230 L1242 F1366 I1367 R1372 N1373 | I1227-L1370 HydrophobicContact CG2-CD1 4.2Å; F1230-L1370 HydrophobicContact CB-CD1 3.55Å; F1230-L1370 HydrophobicContact CB-CD2 4.3Å; F1230-L1370 HydrophobicContact CD1-CD1 4.43Å; F1230-L1370 HydrophobicContact CD1-CD2 3.6Å; F1230-L1370 HydrophobicContact CE1-CD2 4.22Å; F1230-L1370 HydrophobicContact CG-CD1 4.14Å; F1230-L1370 HydrophobicContact CG-CD2 4.1Å; L1242-L1370 HydrophobicContact CD1-CD2 4.34Å; L1242-L1370 HydrophobicContact CD2-CD2 4.41Å; F1366-L1370 WeakPolarHBondContact O-CB 3.24Å; F1366-L1370 PolarHBondContact O-N 2.87Å; I1367-L1370 PolarHBondContact O-N 3.41Å; L1370-R1372 VanDerWaalsContact C-N 3.32Å; L1370-R1372 PolarHBondContact O-N 2.97Å; L1370-N1373 WeakPolarHBondContact O-CB 3.42Å; L1370-N1373 PolarHBondContact O-N 3.25Å |
| 1371 | I | 74.7 | Confident | 76.3 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.082 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.4 | -30.5 | -178.6 | -66.6 | 168.7 | 0 | 0 | 0 | 111.6 | I1367 V1368 N1373 Y1376 I1439 Q1442 I1443 | I1367-I1371 HydrophobicContact CG2-CD1 3.85Å; I1367-I1371 WeakPolarHBondContact O-CG1 3.43Å; I1367-I1371 PolarHBondContact O-N 3.1Å; I1367-I1371 VanDerWaalsContact O-N 3.08Å; V1368-I1371 PolarHBondContact O-N 3.33Å; I1371-N1373 VanDerWaalsContact C-N 3.26Å; I1371-N1373 PolarHBondContact O-N 3.02Å; I1371-Y1376 HydrophobicContact CG1-CE1 4.23Å; I1371-Y1376 HydrophobicContact CG2-CE1 4.46Å; I1371-I1439 HydrophobicContact CD1-CB 4.37Å; I1371-I1439 HydrophobicContact CD1-CG1 4.29Å; I1371-I1439 HydrophobicContact CD1-CG2 3.6Å; I1371-Q1442 HydrophobicContact CG2-CB 3.94Å; I1371-I1443 HydrophobicContact CD1-CD1 4.09Å; I1371-I1443 HydrophobicContact CD1-CG1 4.12Å |
| 1372 | R | 76.2 | Confident | 75.7 | Confident | 169 Ų | 169 | 54.2 Ų | 54.2 | 64% | 0.638 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -72.7 | -14 | 174 | -75.7 | -174 | 175.6 | -178.9 | -0.3 | 114.1 | V1368 A1369 L1370 Q1442 | V1368-R1372 WeakPolarHBondContact O-CG 3.4Å; V1368-R1372 PolarHBondContact O-N 2.81Å; V1368-R1372 VanDerWaalsContact O-N 3.14Å; A1369-R1372 PolarHBondContact O-N 2.99Å; L1370-R1372 VanDerWaalsContact C-N 3.32Å; L1370-R1372 PolarHBondContact O-N 2.97Å; R1372-Q1442 VanDerWaalsContact CG-OE1 3.28Å |
| 1373 | N | 80.4 | Confident | 74.8 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | trans | -69.5 | 129.9 | -178.7 | -172.4 | -50.9 | 0 | 0 | 0 | 110.6 | I1227 A1369 L1370 I1371 D1375 Y1376 Y1377 | I1227-N1373 HydrophobicContact CG2-CB 3.96Å; I1227-N1373 WeakPolarHBondContact CG2-ND2 3.49Å; A1369-N1373 PolarHBondContact O-N 3.32Å; L1370-N1373 WeakPolarHBondContact O-CB 3.42Å; L1370-N1373 PolarHBondContact O-N 3.25Å; I1371-N1373 VanDerWaalsContact C-N 3.26Å; I1371-N1373 PolarHBondContact O-N 3.02Å; N1373-D1375 VanDerWaalsContact C-N 3.26Å; N1373-D1375 PolarHBondContact O-N 3.29Å; N1373-D1375 WeakPolarHBondContact OD1-CB 3.18Å; N1373-D1375 PolarHBondContact OD1-N 3.23Å; N1373-Y1376 WeakPolarHBondContact O-CB 3.48Å; N1373-Y1376 PolarHBondContact O-N 3.13Å; N1373-Y1377 PolarHBondContact O-N 3.34Å | ||
| 1374 | P | 72.1 | Confident | 73.8 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 57% | 0.571 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.9 | -32.6 | 179.4 | 24.2 | -35.1 | 0 | 0 | 0 | 113.8 | Y1376 Y1377 D1378 | P1374-Y1376 VanDerWaalsContact C-N 3.31Å; P1374-Y1376 PolarHBondContact O-N 3.19Å; P1374-Y1377 WeakPolarHBondContact O-CB 3.36Å; P1374-Y1377 PolarHBondContact O-N 3.38Å; P1374-D1378 PolarHBondContact O-N 2.97Å |
| 1375 | D | 72.1 | Confident | 72.8 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 179.3 | -67.3 | -24.5 | 0 | 0 | 0 | 112.1 | N1373 K1379 | N1373-D1375 VanDerWaalsContact C-N 3.26Å; N1373-D1375 PolarHBondContact O-N 3.29Å; N1373-D1375 WeakPolarHBondContact OD1-CB 3.18Å; N1373-D1375 PolarHBondContact OD1-N 3.23Å; D1375-K1379 WeakPolarHBondContact O-CG 3.11Å; D1375-K1379 PolarHBondContact O-N 2.96Å; D1375-K1379 VanDerWaalsContact O-N 3.15Å |
| 1376 | Y | 68.9 | Low | 71.9 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 174.3 | 179.3 | -99.8 | 0 | 0 | 0 | 109.9 | I1371 N1373 P1374 D1378 K1379 V1380 Y1394 | I1371-Y1376 HydrophobicContact CG1-CE1 4.23Å; I1371-Y1376 HydrophobicContact CG2-CE1 4.46Å; N1373-Y1376 WeakPolarHBondContact O-CB 3.48Å; N1373-Y1376 PolarHBondContact O-N 3.13Å; P1374-Y1376 VanDerWaalsContact C-N 3.31Å; P1374-Y1376 PolarHBondContact O-N 3.19Å; Y1376-D1378 PolarHBondContact O-N 2.9Å; Y1376-K1379 PolarHBondContact O-N 2.97Å; Y1376-V1380 HydrophobicContact CD1-CG2 4.13Å; Y1376-V1380 HydrophobicContact CE1-CG2 3.76Å; Y1376-V1380 HydrophobicContact CE2-CG2 4.17Å; Y1376-V1380 HydrophobicContact CG-CG2 4.49Å; Y1376-V1380 VanDerWaalsContact O-CG2 3.25Å; Y1376-V1380 WeakPolarHBondContact O-CG2 3.07Å; Y1376-V1380 PolarHBondContact O-N 2.71Å; Y1376-Y1394 PolarHBondContact OH-OH 3.32Å |
| 1377 | Y | 66.3 | Low | 70.6 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 177.9 | -176.7 | -100.8 | 0 | 0 | 0 | 112.3 | N1373 P1374 K1379 V1380 Q1381 | N1373-Y1377 PolarHBondContact O-N 3.34Å; P1374-Y1377 WeakPolarHBondContact O-CB 3.36Å; P1374-Y1377 PolarHBondContact O-N 3.38Å; Y1377-K1379 PolarHBondContact O-N 3.45Å; Y1377-V1380 PolarHBondContact O-N 3.19Å; Y1377-Q1381 HydrophobicContact CD1-CG 4.24Å; Y1377-Q1381 VanDerWaalsContact CE1-CD 3.46Å; Y1377-Q1381 HydrophobicContact CE1-CG 3.92Å; Y1377-Q1381 WeakPolarHBondContact O-CG 3.19Å; Y1377-Q1381 PolarHBondContact O-N 3.09Å; Y1377-Q1381 PolarHBondContact OH-NE2 3Å |
| 1378 | D | 69.4 | Low | 69.4 | Low | 91 Ų | 91 | 59.7 Ų | 59.7 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 178 | -81.1 | -0.7 | 0 | 0 | 0 | 112.4 | P1374 Y1376 Q1381 T1382 | P1374-D1378 PolarHBondContact O-N 2.97Å; Y1376-D1378 PolarHBondContact O-N 2.9Å; D1378-Q1381 WeakPolarHBondContact O-CB 3.46Å; D1378-Q1381 PolarHBondContact O-N 3.37Å; D1378-T1382 WeakPolarHBondContact O-CG2 3.18Å; D1378-T1382 PolarHBondContact O-N 3.49Å |
| 1379 | K | 68.6 | Low | 68.3 | Low | 59 Ų | 59 | 59.9 Ų | 59.9 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.3 | -73.9 | -173.8 | -177.2 | -150.2 | 0 | 112.1 | C1231 F1233 D1375 Y1376 Y1377 Q1381 T1382 A1383 | C1231-K1379 VanDerWaalsContact O-CE 3.24Å; C1231-K1379 WeakPolarHBondContact O-CE 3.43Å; C1231-K1379 PolarHBondContact O-NZ 3.18Å; F1233-K1379 PolarHBondContact O-NZ 3.4Å; D1375-K1379 WeakPolarHBondContact O-CG 3.11Å; D1375-K1379 PolarHBondContact O-N 2.96Å; D1375-K1379 VanDerWaalsContact O-N 3.15Å; Y1376-K1379 PolarHBondContact O-N 2.97Å; Y1377-K1379 PolarHBondContact O-N 3.45Å; K1379-Q1381 VanDerWaalsContact C-N 3.26Å; K1379-Q1381 PolarHBondContact O-N 3.34Å; K1379-T1382 PolarHBondContact O-N 3.5Å; K1379-T1382 PolarHBondContact O-OG1 2.74Å; K1379-A1383 PolarHBondContact O-N 3.25Å |
| 1380 | V | 64.7 | Low | 67.5 | Low | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | Y1376 Y1377 A1383 F1384 Y1394 | Y1376-V1380 HydrophobicContact CD1-CG2 4.13Å; Y1376-V1380 HydrophobicContact CE1-CG2 3.76Å; Y1376-V1380 HydrophobicContact CE2-CG2 4.17Å; Y1376-V1380 HydrophobicContact CG-CG2 4.49Å; Y1376-V1380 VanDerWaalsContact O-CG2 3.25Å; Y1376-V1380 WeakPolarHBondContact O-CG2 3.07Å; Y1376-V1380 PolarHBondContact O-N 2.71Å; Y1377-V1380 PolarHBondContact O-N 3.19Å; V1380-A1383 WeakPolarHBondContact O-CB 3.39Å; V1380-A1383 PolarHBondContact O-N 3.49Å; V1380-F1384 HydrophobicContact CG1-CE1 4.04Å; V1380-F1384 HydrophobicContact CG1-CE2 4.42Å; V1380-F1384 HydrophobicContact CG1-CZ 3.75Å; V1380-F1384 PolarHBondContact O-N 2.98Å; V1380-Y1394 HydrophobicContact CG1-CE2 4.37Å; V1380-Y1394 WeakPolarHBondContact CG2-OH 3.42Å |
| 1381 | Q | 67 | Low | 66.6 | Low | 88 Ų | 88 | 58.7 Ų | 58.7 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 173 | -79.2 | -161.4 | -10.9 | 0 | 0 | 113.1 | Y1377 D1378 K1379 A1383 F1384 | Y1377-Q1381 HydrophobicContact CD1-CG 4.24Å; Y1377-Q1381 VanDerWaalsContact CE1-CD 3.46Å; Y1377-Q1381 HydrophobicContact CE1-CG 3.92Å; Y1377-Q1381 WeakPolarHBondContact O-CG 3.19Å; Y1377-Q1381 PolarHBondContact O-N 3.09Å; Y1377-Q1381 PolarHBondContact OH-NE2 3Å; D1378-Q1381 WeakPolarHBondContact O-CB 3.46Å; D1378-Q1381 PolarHBondContact O-N 3.37Å; K1379-Q1381 VanDerWaalsContact C-N 3.26Å; K1379-Q1381 PolarHBondContact O-N 3.34Å; Q1381-A1383 PolarHBondContact O-N 3.29Å; Q1381-F1384 VanDerWaalsContact CA-CD2 3.43Å; Q1381-F1384 HydrophobicContact CB-CD2 4.29Å; Q1381-F1384 HydrophobicContact CB-CE2 4.38Å; Q1381-F1384 HydrophobicContact CG-CD2 4.28Å; Q1381-F1384 HydrophobicContact CG-CE2 3.97Å; Q1381-F1384 WeakPolarHBondContact O-CB 3.45Å; Q1381-F1384 PolarHBondContact O-N 3.23Å |
| 1382 | T | 68.3 | Low | 66 | Low | 98 Ų | 98 | 60.2 Ų | 60.2 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.7 | -31.9 | 175.7 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | D1378 K1379 F1384 S1385 | D1378-T1382 WeakPolarHBondContact O-CG2 3.18Å; D1378-T1382 PolarHBondContact O-N 3.49Å; K1379-T1382 PolarHBondContact O-N 3.5Å; K1379-T1382 PolarHBondContact O-OG1 2.74Å; T1382-F1384 VanDerWaalsContact C-N 3.28Å; T1382-F1384 PolarHBondContact O-N 2.91Å; T1382-S1385 PolarHBondContact O-N 2.91Å; T1382-S1385 PolarHBondContact O-OG 3.32Å |
| 1383 | A | 63.8 | Low | 65.4 | Low | 7 Ų | 7 | 54.3 Ų | 54.3 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.8 | -19.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1235 K1379 V1380 Q1381 S1385 D1386 L1390 | W1235-A1383 VanDerWaalsContact CD1-CB 3.47Å; W1235-A1383 HydrophobicContact CD2-CB 3.8Å; W1235-A1383 VanDerWaalsContact CE2-CB 3.42Å; W1235-A1383 HydrophobicContact CG-CB 3.85Å; W1235-A1383 HydrophobicContact CZ2-CB 4Å; K1379-A1383 PolarHBondContact O-N 3.25Å; V1380-A1383 WeakPolarHBondContact O-CB 3.39Å; V1380-A1383 PolarHBondContact O-N 3.49Å; Q1381-A1383 PolarHBondContact O-N 3.29Å; A1383-S1385 PolarHBondContact O-N 3.23Å; A1383-D1386 PolarHBondContact O-N 2.92Å; A1383-L1390 HydrophobicContact CB-CD1 3.46Å; A1383-L1390 VanDerWaalsContact CB-CD1 3.46Å |
| 1384 | F | 61.1 | Low | 64.8 | Low | 53 Ų | 53 | 52.7 Ų | 52.7 | 23% | 0.232 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -8.3 | 175 | -66.4 | -42.5 | 0 | 0 | 0 | 114.3 | V1380 Q1381 T1382 D1386 L1390 P1448 | V1380-F1384 HydrophobicContact CG1-CE1 4.04Å; V1380-F1384 HydrophobicContact CG1-CE2 4.42Å; V1380-F1384 HydrophobicContact CG1-CZ 3.75Å; V1380-F1384 PolarHBondContact O-N 2.98Å; Q1381-F1384 VanDerWaalsContact CA-CD2 3.43Å; Q1381-F1384 HydrophobicContact CB-CD2 4.29Å; Q1381-F1384 HydrophobicContact CB-CE2 4.38Å; Q1381-F1384 HydrophobicContact CG-CD2 4.28Å; Q1381-F1384 HydrophobicContact CG-CE2 3.97Å; Q1381-F1384 WeakPolarHBondContact O-CB 3.45Å; Q1381-F1384 PolarHBondContact O-N 3.23Å; T1382-F1384 VanDerWaalsContact C-N 3.28Å; T1382-F1384 PolarHBondContact O-N 2.91Å; F1384-D1386 VanDerWaalsContact C-N 3.27Å; F1384-D1386 PolarHBondContact O-N 3.43Å; F1384-L1390 HydrophobicContact CD1-CD1 4.04Å; F1384-L1390 HydrophobicContact CD1-CD2 3.89Å; F1384-L1390 HydrophobicContact CE1-CD1 4.24Å; F1384-L1390 HydrophobicContact CE1-CD2 3.62Å; F1384-P1448 HydrophobicContact CD1-CG 3.86Å; F1384-P1448 HydrophobicContact CE1-CG 3.83Å; F1384-P1448 HydrophobicContact CG-CG 4.3Å; F1384-P1448 HydrophobicContact CZ-CG 4.24Å |
| 1385 | S | 60.7 | Low | 64.5 | Low | 112 Ų | 112 | 48.7 Ų | 48.7 | 78% | 0.783 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.3 | 168.2 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | T1382 A1383 P1387 | T1382-S1385 PolarHBondContact O-N 2.91Å; T1382-S1385 PolarHBondContact O-OG 3.32Å; A1383-S1385 PolarHBondContact O-N 3.23Å; S1385-P1387 VanDerWaalsContact O-CD 3.3Å; S1385-P1387 WeakPolarHBondContact O-CD 3.47Å |
| 1386 | D | 63 | Low | 64.3 | Low | 63 Ų | 63 | 50.8 Ų | 50.8 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -114.7 | 81.9 | 168.9 | -174.7 | -0.2 | 0 | 0 | 0 | 111.3 | A1383 F1384 S1388 G1389 L1390 | A1383-D1386 PolarHBondContact O-N 2.92Å; F1384-D1386 VanDerWaalsContact C-N 3.27Å; F1384-D1386 PolarHBondContact O-N 3.43Å; D1386-S1388 PolarHBondContact O-N 3.27Å; D1386-S1388 PolarHBondContact OD1-N 3.37Å; D1386-S1388 PolarHBondContact OD1-OG 2.91Å; D1386-G1389 PolarHBondContact OD1-N 3.18Å; D1386-L1390 PolarHBondContact O-N 3.09Å |
| 1387 | P | 58 | Low | 64.4 | Low | 37 Ų | 37 | 50.5 Ų | 50.5 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -22.8 | -175.5 | 24.4 | -33.4 | 0 | 0 | 0 | 114 | S1385 S1391 V1451 | S1385-P1387 VanDerWaalsContact O-CD 3.3Å; S1385-P1387 WeakPolarHBondContact O-CD 3.47Å; P1387-S1391 PolarHBondContact O-N 2.6Å; P1387-S1391 PolarHBondContact O-OG 3.46Å; P1387-V1451 HydrophobicContact CB-CG2 4.28Å |
| 1388 | S | 55.9 | Low | 64.7 | Low | 76 Ų | 76 | 45.7 Ų | 45.7 | 53% | 0.531 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -76.8 | -43.7 | 179.8 | 26.6 | 0 | 0 | 0 | 0 | 112.8 | D1386 L1390 S1391 A1392 | D1386-S1388 PolarHBondContact O-N 3.27Å; D1386-S1388 PolarHBondContact OD1-N 3.37Å; D1386-S1388 PolarHBondContact OD1-OG 2.91Å; S1388-L1390 VanDerWaalsContact C-N 3.35Å; S1388-S1391 PolarHBondContact O-OG 2.94Å; S1388-A1392 PolarHBondContact O-N 2.83Å |
| 1389 | G | 61.7 | Low | 64.8 | Low | 24 Ų | 24 | 43.7 Ų | 43.7 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D1386 S1391 A1392 V1393 | D1386-G1389 PolarHBondContact OD1-N 3.18Å; G1389-S1391 PolarHBondContact O-N 3.23Å; G1389-A1392 PolarHBondContact O-N 3.3Å; G1389-V1393 WeakPolarHBondContact O-CG2 3.32Å; G1389-V1393 PolarHBondContact O-N 3.41Å |
| 1390 | L | 63.4 | Low | 65 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | -178.5 | -157.9 | 129.4 | 0 | 0 | 0 | 112.3 | W1235 A1383 F1384 D1386 S1388 V1393 Y1394 V1451 | W1235-L1390 HydrophobicContact CE3-CD1 4.41Å; W1235-L1390 HydrophobicContact CH2-CB 4.19Å; W1235-L1390 HydrophobicContact CH2-CD1 4.24Å; W1235-L1390 HydrophobicContact CH2-CG 4.32Å; W1235-L1390 HydrophobicContact CZ2-CD1 4.46Å; W1235-L1390 HydrophobicContact CZ3-CD1 4.22Å; W1235-L1390 HydrophobicContact CZ3-CG 4.22Å; A1383-L1390 HydrophobicContact CB-CD1 3.46Å; A1383-L1390 VanDerWaalsContact CB-CD1 3.46Å; F1384-L1390 HydrophobicContact CD1-CD1 4.04Å; F1384-L1390 HydrophobicContact CD1-CD2 3.89Å; F1384-L1390 HydrophobicContact CE1-CD1 4.24Å; F1384-L1390 HydrophobicContact CE1-CD2 3.62Å; D1386-L1390 PolarHBondContact O-N 3.09Å; S1388-L1390 VanDerWaalsContact C-N 3.35Å; L1390-V1393 PolarHBondContact O-N 3.4Å; L1390-Y1394 HydrophobicContact CD1-CE2 4.18Å; L1390-Y1394 HydrophobicContact CD2-CD2 3.57Å; L1390-Y1394 HydrophobicContact CD2-CE2 3.75Å; L1390-Y1394 HydrophobicContact CG-CD2 3.68Å; L1390-Y1394 HydrophobicContact CG-CE2 3.75Å; L1390-Y1394 WeakPolarHBondContact O-CB 3.4Å; L1390-Y1394 WeakPolarHBondContact O-CD2 3.39Å; L1390-Y1394 PolarHBondContact O-N 3.43Å; L1390-V1451 HydrophobicContact CD2-CG1 3.95Å |
| 1391 | S | 62.6 | Low | 65.7 | Low | 14 Ų | 14 | 42.3 Ų | 42.3 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 178 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | P1387 S1388 G1389 V1393 G1395 | P1387-S1391 PolarHBondContact O-N 2.6Å; P1387-S1391 PolarHBondContact O-OG 3.46Å; S1388-S1391 PolarHBondContact O-OG 2.94Å; G1389-S1391 PolarHBondContact O-N 3.23Å; S1391-V1393 VanDerWaalsContact C-N 3.34Å; S1391-V1393 PolarHBondContact O-N 3.43Å; S1391-G1395 WeakPolarHBondContact O-CA 3.19Å; S1391-G1395 PolarHBondContact O-N 2.87Å |
| 1392 | A | 61.4 | Low | 66 | Low | 49 Ų | 49 | 38.3 Ų | 38.3 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1388 G1389 R1396 | S1388-A1392 PolarHBondContact O-N 2.83Å; G1389-A1392 PolarHBondContact O-N 3.3Å; A1392-R1396 WeakPolarHBondContact O-CG 3.49Å; A1392-R1396 PolarHBondContact O-N 3Å |
| 1393 | V | 63.7 | Low | 66.2 | Low | 45 Ų | 45 | 35.2 Ų | 35.2 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -73.1 | -48.5 | -177.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | W1235 V1239 G1389 L1390 S1391 G1395 R1396 L1397 | W1235-V1393 HydrophobicContact CZ3-CB 4.13Å; W1235-V1393 HydrophobicContact CZ3-CG1 4.02Å; W1235-V1393 HydrophobicContact CZ3-CG2 4.39Å; V1239-V1393 HydrophobicContact CB-CG1 3.61Å; V1239-V1393 HydrophobicContact CG1-CG1 3.29Å; V1239-V1393 HydrophobicContact CG2-CG1 4.32Å; G1389-V1393 WeakPolarHBondContact O-CG2 3.32Å; G1389-V1393 PolarHBondContact O-N 3.41Å; L1390-V1393 PolarHBondContact O-N 3.4Å; S1391-V1393 VanDerWaalsContact C-N 3.34Å; S1391-V1393 PolarHBondContact O-N 3.43Å; V1393-G1395 VanDerWaalsContact C-N 3.33Å; V1393-G1395 PolarHBondContact O-N 3.22Å; V1393-R1396 PolarHBondContact O-N 3.3Å; V1393-L1397 PolarHBondContact O-N 3.49Å; V1393-L1397 VanDerWaalsContact O-N 3.08Å |
| 1394 | Y | 67.7 | Low | 66.9 | Low | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -32.1 | 175.8 | -85 | -84.2 | 0 | 0 | 0 | 112.7 | Y1376 V1380 L1390 R1396 L1397 V1398 I1443 M1455 | Y1376-Y1394 PolarHBondContact OH-OH 3.32Å; V1380-Y1394 HydrophobicContact CG1-CE2 4.37Å; V1380-Y1394 WeakPolarHBondContact CG2-OH 3.42Å; L1390-Y1394 HydrophobicContact CD1-CE2 4.18Å; L1390-Y1394 HydrophobicContact CD2-CD2 3.57Å; L1390-Y1394 HydrophobicContact CD2-CE2 3.75Å; L1390-Y1394 HydrophobicContact CG-CD2 3.68Å; L1390-Y1394 HydrophobicContact CG-CE2 3.75Å; L1390-Y1394 WeakPolarHBondContact O-CB 3.4Å; L1390-Y1394 WeakPolarHBondContact O-CD2 3.39Å; L1390-Y1394 PolarHBondContact O-N 3.43Å; Y1394-R1396 VanDerWaalsContact C-N 3.33Å; Y1394-R1396 PolarHBondContact O-N 3.08Å; Y1394-L1397 HydrophobicContact CD1-CD2 4.13Å; Y1394-L1397 HydrophobicContact CE1-CD2 4.28Å; Y1394-L1397 PolarHBondContact O-N 3.48Å; Y1394-V1398 WeakPolarHBondContact O-CG2 3.44Å; Y1394-V1398 PolarHBondContact O-N 3.42Å; Y1394-I1443 HydrophobicContact CD1-CG2 3.74Å; Y1394-I1443 HydrophobicContact CE1-CG2 4.07Å; Y1394-M1455 VanDerWaalsContact CB-SD 3.6Å; Y1394-M1455 WeakPolarHBondContact O-CE 3.33Å |
| 1395 | G | 66.2 | Low | 67.7 | Low | 4 Ų | 4 | 33.2 Ų | 33.2 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1391 V1393 E1399 | S1391-G1395 WeakPolarHBondContact O-CA 3.19Å; S1391-G1395 PolarHBondContact O-N 2.87Å; V1393-G1395 VanDerWaalsContact C-N 3.33Å; V1393-G1395 PolarHBondContact O-N 3.22Å; G1395-E1399 PolarHBondContact O-N 3.38Å; G1395-E1399 VanDerWaalsContact O-N 3.1Å |
| 1396 | R | 66.9 | Low | 68.2 | Low | 132 Ų | 132 | 31.3 Ų | 31.3 | 50% | 0.498 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.8 | -48.8 | 172 | -71.6 | -178.4 | -177.2 | -175.7 | -0.3 | 111.7 | A1392 V1393 Y1394 V1398 E1399 H1400 | A1392-R1396 WeakPolarHBondContact O-CG 3.49Å; A1392-R1396 PolarHBondContact O-N 3Å; V1393-R1396 PolarHBondContact O-N 3.3Å; Y1394-R1396 VanDerWaalsContact C-N 3.33Å; Y1394-R1396 PolarHBondContact O-N 3.08Å; R1396-V1398 VanDerWaalsContact C-N 3.32Å; R1396-V1398 PolarHBondContact O-N 3.06Å; R1396-E1399 WeakPolarHBondContact O-CB 3.34Å; R1396-E1399 PolarHBondContact O-N 3.14Å; R1396-E1399 VanDerWaalsContact O-N 3.1Å; R1396-H1400 PolarHBondContact O-N 2.79Å; R1396-H1400 PolarHBondContact O-ND1 3.47Å |
| 1397 | L | 72.1 | Confident | 68.8 | Low | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | -179.7 | -177.5 | 68.3 | 0 | 0 | 0 | 112 | V1239 L1242 C1243 I1246 V1393 Y1394 E1399 H1400 I1401 I1443 | V1239-L1397 HydrophobicContact CG1-CB 3.93Å; V1239-L1397 HydrophobicContact CG1-CD1 4.37Å; V1239-L1397 HydrophobicContact CG1-CD2 3.96Å; V1239-L1397 HydrophobicContact CG1-CG 4.3Å; L1242-L1397 HydrophobicContact CB-CD1 3.78Å; C1243-L1397 VanDerWaalsContact SG-CA 3.57Å; I1246-L1397 HydrophobicContact CD1-CD1 3.91Å; V1393-L1397 PolarHBondContact O-N 3.49Å; V1393-L1397 VanDerWaalsContact O-N 3.08Å; Y1394-L1397 HydrophobicContact CD1-CD2 4.13Å; Y1394-L1397 HydrophobicContact CE1-CD2 4.28Å; Y1394-L1397 PolarHBondContact O-N 3.48Å; L1397-E1399 VanDerWaalsContact C-N 3.35Å; L1397-E1399 PolarHBondContact O-N 2.86Å; L1397-H1400 PolarHBondContact O-N 3.4Å; L1397-I1401 HydrophobicContact CD1-CD1 4.35Å; L1397-I1401 HydrophobicContact CD2-CD1 4.43Å; L1397-I1401 HydrophobicContact CG-CD1 3.88Å; L1397-I1401 VanDerWaalsContact O-CG1 3.29Å; L1397-I1401 WeakPolarHBondContact O-CG1 3.38Å; L1397-I1401 PolarHBondContact O-N 3.19Å; L1397-I1443 HydrophobicContact CD2-CD1 3.78Å |
| 1398 | V | 73 | Confident | 69.7 | Low | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | Y1394 R1396 H1400 I1401 V1402 L1440 I1443 M1455 L1459 | Y1394-V1398 WeakPolarHBondContact O-CG2 3.44Å; Y1394-V1398 PolarHBondContact O-N 3.42Å; R1396-V1398 VanDerWaalsContact C-N 3.32Å; R1396-V1398 PolarHBondContact O-N 3.06Å; V1398-H1400 VanDerWaalsContact C-N 3.32Å; V1398-H1400 PolarHBondContact O-N 3.47Å; V1398-I1401 PolarHBondContact O-N 2.91Å; V1398-V1402 HydrophobicContact CG1-CG2 4.18Å; V1398-V1402 VanDerWaalsContact O-CG2 3.29Å; V1398-V1402 WeakPolarHBondContact O-CG2 3.44Å; V1398-V1402 PolarHBondContact O-N 3.44Å; V1398-L1440 HydrophobicContact CG1-CD1 3.58Å; V1398-L1440 HydrophobicContact CG2-CD1 4.29Å; V1398-I1443 HydrophobicContact CG2-CG2 4.22Å; V1398-M1455 HydrophobicContact CB-CE 4.19Å; V1398-M1455 HydrophobicContact CG2-CE 3.3Å; V1398-L1459 HydrophobicContact CB-CD1 4.18Å; V1398-L1459 HydrophobicContact CG1-CD1 3.5Å; V1398-L1459 HydrophobicContact CG1-CD2 4.18Å; V1398-L1459 HydrophobicContact CG1-CG 4.38Å |
| 1399 | E | 70.8 | Confident | 70.6 | Confident | 49 Ų | 49 | 25.6 Ų | 25.6 | 23% | 0.229 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.5 | -46.6 | 173.1 | 173.3 | 172 | -157 | 0 | 0 | 111.6 | G1395 R1396 L1397 V1402 Q1403 L1459 C1462 L1467 | G1395-E1399 PolarHBondContact O-N 3.38Å; G1395-E1399 VanDerWaalsContact O-N 3.1Å; R1396-E1399 WeakPolarHBondContact O-CB 3.34Å; R1396-E1399 PolarHBondContact O-N 3.14Å; R1396-E1399 VanDerWaalsContact O-N 3.1Å; L1397-E1399 VanDerWaalsContact C-N 3.35Å; L1397-E1399 PolarHBondContact O-N 2.86Å; E1399-V1402 PolarHBondContact O-N 3.5Å; E1399-Q1403 VanDerWaalsContact O-CG 3.26Å; E1399-Q1403 WeakPolarHBondContact O-CG 3.39Å; E1399-Q1403 PolarHBondContact O-N 3.2Å; E1399-Q1403 PolarHBondContact OE1-NE2 2.98Å; E1399-L1459 HydrophobicContact CB-CD2 4.04Å; E1399-C1462 PolarHBondContact OE1-SG 2.77Å; E1399-L1467 HydrophobicContact CG-CD1 3.92Å |
| 1400 | H | 73.7 | Confident | 71.1 | Confident | 31 Ų | 31 | 27.8 Ų | 27.8 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -42.9 | -178.6 | -67.1 | 58.1 | 0 | 0 | 0 | 111.2 | I1246 D1247 R1396 L1397 V1398 V1402 Q1403 L1404 | I1246-H1400 HydrophobicContact CB-CB 4.28Å; I1246-H1400 HydrophobicContact CG2-CB 3.78Å; I1246-H1400 WeakPolarHBondContact CG2-O 3.47Å; D1247-H1400 IonicContact OD1-CD2 3.39Å; D1247-H1400 PolarHBondContact OD1-CD2 3.22Å; D1247-H1400 IonicContact OD1-NE2 2.58Å; D1247-H1400 IonicContact OD2-CD2 2.79Å; D1247-H1400 PolarHBondContact OD2-CD2 2.97Å; D1247-H1400 VanDerWaalsContact OD2-CD2 3.28Å; D1247-H1400 IonicContact OD2-NE2 3.98Å; D1247-H1400 PolarHBondContact OD2-NE2 3.45Å; R1396-H1400 PolarHBondContact O-N 2.79Å; R1396-H1400 PolarHBondContact O-ND1 3.47Å; L1397-H1400 PolarHBondContact O-N 3.4Å; V1398-H1400 VanDerWaalsContact C-N 3.32Å; V1398-H1400 PolarHBondContact O-N 3.47Å; H1400-V1402 PolarHBondContact O-N 3.31Å; H1400-Q1403 PolarHBondContact O-N 3Å; H1400-L1404 PolarHBondContact O-N 3.49Å |
| 1401 | I | 78 | Confident | 71.5 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 175.7 | -67.4 | 163.9 | 0 | 0 | 0 | 110.8 | I1246 L1397 V1398 Q1403 L1404 M1405 L1436 I1439 I1443 | I1246-I1401 HydrophobicContact CD1-CD1 4.48Å; I1246-I1401 HydrophobicContact CD1-CG1 3.56Å; L1397-I1401 HydrophobicContact CD1-CD1 4.35Å; L1397-I1401 HydrophobicContact CD2-CD1 4.43Å; L1397-I1401 HydrophobicContact CG-CD1 3.88Å; L1397-I1401 VanDerWaalsContact O-CG1 3.29Å; L1397-I1401 WeakPolarHBondContact O-CG1 3.38Å; L1397-I1401 PolarHBondContact O-N 3.19Å; V1398-I1401 PolarHBondContact O-N 2.91Å; I1401-Q1403 VanDerWaalsContact C-N 3.34Å; I1401-Q1403 PolarHBondContact O-N 3.29Å; I1401-L1404 PolarHBondContact O-N 3.3Å; I1401-M1405 HydrophobicContact CG2-CG 4.43Å; I1401-M1405 HydrophobicContact CG2-SD 4.24Å; I1401-M1405 WeakPolarHBondContact O-CG 3.14Å; I1401-M1405 PolarHBondContact O-N 3.44Å; I1401-L1436 HydrophobicContact CG2-CD2 4.36Å; I1401-I1439 HydrophobicContact CD1-CG2 3.72Å; I1401-I1443 HydrophobicContact CD1-CD1 3.78Å |
| 1402 | V | 74.5 | Confident | 72 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | -178.1 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | V1398 E1399 H1400 M1405 L1406 L1440 L1467 K1470 | V1398-V1402 HydrophobicContact CG1-CG2 4.18Å; V1398-V1402 VanDerWaalsContact O-CG2 3.29Å; V1398-V1402 WeakPolarHBondContact O-CG2 3.44Å; V1398-V1402 PolarHBondContact O-N 3.44Å; E1399-V1402 PolarHBondContact O-N 3.5Å; H1400-V1402 PolarHBondContact O-N 3.31Å; V1402-M1405 PolarHBondContact O-N 3.24Å; V1402-L1406 WeakPolarHBondContact O-CG 3.4Å; V1402-L1406 PolarHBondContact O-N 3.33Å; V1402-L1440 HydrophobicContact CG2-CD1 4.48Å; V1402-L1467 HydrophobicContact CB-CD2 3.61Å; V1402-L1467 HydrophobicContact CG1-CD2 3.48Å; V1402-L1467 VanDerWaalsContact CG1-CD2 3.48Å; V1402-K1470 HydrophobicContact CG1-CB 4.05Å; V1402-K1470 HydrophobicContact CG1-CG 4.1Å; V1402-K1470 HydrophobicContact CG2-CG 4.32Å |
| 1403 | Q | 72.8 | Confident | 72.3 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 173 | -72.1 | -179.1 | 20.1 | 0 | 0 | 111.8 | K1250 E1399 H1400 I1401 L1406 V1407 L1467 | K1250-Q1403 HydrophobicContact CD-CB 4.46Å; E1399-Q1403 VanDerWaalsContact O-CG 3.26Å; E1399-Q1403 WeakPolarHBondContact O-CG 3.39Å; E1399-Q1403 PolarHBondContact O-N 3.2Å; E1399-Q1403 PolarHBondContact OE1-NE2 2.98Å; H1400-Q1403 PolarHBondContact O-N 3Å; I1401-Q1403 VanDerWaalsContact C-N 3.34Å; I1401-Q1403 PolarHBondContact O-N 3.29Å; Q1403-L1406 PolarHBondContact O-N 3.32Å; Q1403-V1407 WeakPolarHBondContact O-CG2 3.38Å; Q1403-V1407 PolarHBondContact O-N 3.08Å; Q1403-L1467 HydrophobicContact CG-CD1 4.29Å; Q1403-L1467 HydrophobicContact CG-CD2 4.19Å |
| 1404 | L | 78.1 | Confident | 72.5 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 175 | -176.8 | 64.3 | 0 | 0 | 0 | 111.5 | I1246 L1249 K1250 H1400 I1401 L1406 V1407 V1408 L1436 | I1246-L1404 HydrophobicContact CG2-CB 3.87Å; I1246-L1404 HydrophobicContact CG2-CD2 4Å; L1249-L1404 HydrophobicContact CB-CD1 4.19Å; L1249-L1404 HydrophobicContact CB-CD2 4.23Å; L1249-L1404 HydrophobicContact CD1-CD2 4.33Å; K1250-L1404 HydrophobicContact CB-CD1 4.25Å; H1400-L1404 PolarHBondContact O-N 3.49Å; I1401-L1404 PolarHBondContact O-N 3.3Å; L1404-L1406 PolarHBondContact O-N 3.34Å; L1404-V1407 PolarHBondContact O-N 3.26Å; L1404-V1408 HydrophobicContact CD1-CG2 4.48Å; L1404-V1408 HydrophobicContact CG-CG2 4.41Å; L1404-V1408 WeakPolarHBondContact O-CG2 3.11Å; L1404-V1408 PolarHBondContact O-N 3.43Å; L1404-L1436 HydrophobicContact CB-CD1 4.49Å; L1404-L1436 HydrophobicContact CD2-CD1 3.89Å; L1404-L1436 HydrophobicContact CD2-CD2 3.97Å; L1404-L1436 HydrophobicContact CG-CD1 3.93Å |
| 1405 | M | 77.1 | Confident | 72.4 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.8 | -39.1 | 175.3 | -74.2 | -179.6 | 63.7 | 0 | 0 | 112.7 | I1401 V1402 A1409 L1433 L1436 Q1437 L1440 | I1401-M1405 HydrophobicContact CG2-CG 4.43Å; I1401-M1405 HydrophobicContact CG2-SD 4.24Å; I1401-M1405 WeakPolarHBondContact O-CG 3.14Å; I1401-M1405 PolarHBondContact O-N 3.44Å; V1402-M1405 PolarHBondContact O-N 3.24Å; M1405-A1409 VanDerWaalsContact O-CB 3.28Å; M1405-A1409 WeakPolarHBondContact O-CB 3.34Å; M1405-A1409 PolarHBondContact O-N 3.23Å; M1405-L1433 HydrophobicContact CB-CD1 4.37Å; M1405-L1433 HydrophobicContact CE-CD1 4.3Å; M1405-L1433 HydrophobicContact CG-CD1 4.49Å; M1405-L1436 HydrophobicContact CG-CB 3.61Å; M1405-L1436 HydrophobicContact CG-CD1 3.86Å; M1405-L1436 HydrophobicContact CG-CG 4.33Å; M1405-L1436 HydrophobicContact SD-CB 4.2Å; M1405-Q1437 HydrophobicContact CE-CG 3.46Å; M1405-Q1437 VanDerWaalsContact CE-CG 3.46Å; M1405-Q1437 HydrophobicContact SD-CG 4.5Å; M1405-L1440 HydrophobicContact SD-CD2 4.39Å |
| 1406 | L | 72.1 | Confident | 71.8 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 37% | 0.372 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.2 | -73.2 | 169.4 | 0 | 0 | 0 | 111.4 | V1402 Q1403 L1404 A1409 T1410 | V1402-L1406 WeakPolarHBondContact O-CG 3.4Å; V1402-L1406 PolarHBondContact O-N 3.33Å; Q1403-L1406 PolarHBondContact O-N 3.32Å; L1404-L1406 PolarHBondContact O-N 3.34Å; L1406-A1409 PolarHBondContact O-N 3.13Å; L1406-T1410 VanDerWaalsContact O-CG2 3.27Å; L1406-T1410 WeakPolarHBondContact O-CG2 3.43Å; L1406-T1410 PolarHBondContact O-N 3.36Å; L1406-T1410 PolarHBondContact O-OG1 3.2Å |
| 1407 | V | 74.2 | Confident | 71.2 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -47.5 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | K1250 C1253 T1254 Q1403 L1404 A1409 T1410 F1411 | K1250-V1407 HydrophobicContact CG-CG2 4.29Å; C1253-V1407 HydrophobicContact CB-CG1 3.6Å; T1254-V1407 HydrophobicContact CG2-CG1 4.21Å; T1254-V1407 HydrophobicContact CG2-CG2 4.06Å; Q1403-V1407 WeakPolarHBondContact O-CG2 3.38Å; Q1403-V1407 PolarHBondContact O-N 3.08Å; L1404-V1407 PolarHBondContact O-N 3.26Å; V1407-A1409 PolarHBondContact O-N 3.24Å; V1407-T1410 WeakPolarHBondContact CA-OG1 3.37Å; V1407-T1410 PolarHBondContact O-N 2.86Å; V1407-T1410 PolarHBondContact O-OG1 3.47Å; V1407-F1411 PolarHBondContact O-N 3.25Å |
| 1408 | V | 78.1 | Confident | 70 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | W1357 L1404 T1410 F1411 L1412 L1433 L1436 | W1357-V1408 HydrophobicContact CH2-CB 4.22Å; W1357-V1408 HydrophobicContact CH2-CG1 4.05Å; W1357-V1408 HydrophobicContact CH2-CG2 3.89Å; W1357-V1408 HydrophobicContact CZ3-CB 4.41Å; W1357-V1408 HydrophobicContact CZ3-CG1 3.95Å; W1357-V1408 HydrophobicContact CZ3-CG2 3.9Å; L1404-V1408 HydrophobicContact CD1-CG2 4.48Å; L1404-V1408 HydrophobicContact CG-CG2 4.41Å; L1404-V1408 WeakPolarHBondContact O-CG2 3.11Å; L1404-V1408 PolarHBondContact O-N 3.43Å; V1408-T1410 VanDerWaalsContact C-N 3.32Å; V1408-T1410 PolarHBondContact O-N 2.92Å; V1408-F1411 WeakPolarHBondContact O-CB 3.28Å; V1408-F1411 PolarHBondContact O-N 3.47Å; V1408-L1412 HydrophobicContact CG1-CD1 4.05Å; V1408-L1412 PolarHBondContact O-N 2.88Å; V1408-L1433 HydrophobicContact CG1-CB 4.09Å; V1408-L1433 HydrophobicContact CG1-CD1 4.4Å; V1408-L1436 HydrophobicContact CG2-CD1 4.34Å |
| 1409 | A | 73.9 | Confident | 69.1 | Low | 37 Ų | 37 | 55 Ų | 55 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1405 L1406 V1407 F1411 L1412 T1413 | M1405-A1409 VanDerWaalsContact O-CB 3.28Å; M1405-A1409 WeakPolarHBondContact O-CB 3.34Å; M1405-A1409 PolarHBondContact O-N 3.23Å; L1406-A1409 PolarHBondContact O-N 3.13Å; V1407-A1409 PolarHBondContact O-N 3.24Å; A1409-F1411 VanDerWaalsContact C-N 3.33Å; A1409-F1411 PolarHBondContact O-N 3.48Å; A1409-L1412 PolarHBondContact O-N 3.3Å; A1409-T1413 WeakPolarHBondContact O-CG2 3.45Å; A1409-T1413 PolarHBondContact O-N 2.96Å; A1409-T1413 PolarHBondContact O-OG1 3.49Å |
| 1410 | T | 72.1 | Confident | 68.4 | Low | 71 Ų | 71 | 60.8 Ų | 60.8 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | L1406 V1407 V1408 T1413 K1414 | L1406-T1410 VanDerWaalsContact O-CG2 3.27Å; L1406-T1410 WeakPolarHBondContact O-CG2 3.43Å; L1406-T1410 PolarHBondContact O-N 3.36Å; L1406-T1410 PolarHBondContact O-OG1 3.2Å; V1407-T1410 WeakPolarHBondContact CA-OG1 3.37Å; V1407-T1410 PolarHBondContact O-N 2.86Å; V1407-T1410 PolarHBondContact O-OG1 3.47Å; V1408-T1410 VanDerWaalsContact C-N 3.32Å; V1408-T1410 PolarHBondContact O-N 2.92Å; T1410-T1413 WeakPolarHBondContact CA-OG1 3.41Å; T1410-T1413 PolarHBondContact O-N 3.05Å; T1410-T1413 PolarHBondContact O-OG1 2.96Å; T1410-K1414 WeakPolarHBondContact O-CG 3.5Å; T1410-K1414 PolarHBondContact O-N 3.03Å |
| 1411 | F | 73.4 | Confident | 67.6 | Low | 12 Ų | 12 | 68.4 Ų | 68.4 | 5% | 0.053 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -52.2 | 173.4 | 174.6 | -98.9 | 0 | 0 | 0 | 111.2 | L1353 W1357 V1407 V1408 A1409 T1413 K1414 V1415 V1425 A1429 | L1353-F1411 HydrophobicContact CD2-CE2 4.38Å; L1353-F1411 HydrophobicContact CD2-CZ 4.1Å; W1357-F1411 HydrophobicContact CD2-CE1 4.35Å; W1357-F1411 AromaticContact CE2-CD1 3.71Å; W1357-F1411 AromaticContact CE2-CE1 3.58Å; W1357-F1411 AromaticContact CE2-CZ 3.85Å; W1357-F1411 HydrophobicContact CH2-CB 4.25Å; W1357-F1411 AromaticContact CH2-CD1 3.89Å; W1357-F1411 HydrophobicContact CH2-CD1 3.89Å; W1357-F1411 HydrophobicContact CH2-CG 4.14Å; W1357-F1411 HydrophobicContact CZ2-CB 3.89Å; W1357-F1411 AromaticContact CZ2-CD1 3.29Å; W1357-F1411 HydrophobicContact CZ2-CD1 3.29Å; W1357-F1411 AromaticContact CZ2-CD2 3.89Å; W1357-F1411 HydrophobicContact CZ2-CD2 3.89Å; W1357-F1411 AromaticContact CZ2-CE1 3.7Å; W1357-F1411 HydrophobicContact CZ2-CE1 3.7Å; W1357-F1411 HydrophobicContact CZ2-CE2 4.25Å; W1357-F1411 AromaticContact CZ2-CG 3.4Å; W1357-F1411 HydrophobicContact CZ2-CG 3.4Å; W1357-F1411 HydrophobicContact CZ2-CZ 4.16Å; W1357-F1411 AromaticContact NE1-CE1 3.57Å; W1357-F1411 AromaticContact NE1-CE2 3.7Å; W1357-F1411 AromaticContact NE1-CZ 3.35Å; V1407-F1411 PolarHBondContact O-N 3.25Å; V1408-F1411 WeakPolarHBondContact O-CB 3.28Å; V1408-F1411 PolarHBondContact O-N 3.47Å; A1409-F1411 VanDerWaalsContact C-N 3.33Å; A1409-F1411 PolarHBondContact O-N 3.48Å; F1411-T1413 PolarHBondContact O-N 3.45Å; F1411-K1414 PolarHBondContact O-N 3.14Å; F1411-V1415 HydrophobicContact CD2-CG2 4.25Å; F1411-V1415 HydrophobicContact CE1-CG2 4.15Å; F1411-V1415 HydrophobicContact CE2-CG2 3.82Å; F1411-V1415 HydrophobicContact CZ-CG2 3.76Å; F1411-V1415 PolarHBondContact O-N 3.11Å; F1411-V1425 HydrophobicContact CE1-CG1 4.03Å; F1411-V1425 HydrophobicContact CZ-CG1 3.82Å; F1411-A1429 HydrophobicContact CD1-CB 4.08Å; F1411-A1429 HydrophobicContact CE1-CB 4.07Å |
| 1412 | L | 71.9 | Confident | 67 | Low | 27 Ų | 27 | 70.6 Ų | 70.6 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.4 | -31.5 | 178.5 | -74.6 | 167.7 | 0 | 0 | 0 | 113.1 | V1408 A1409 V1426 A1429 D1430 L1433 | V1408-L1412 HydrophobicContact CG1-CD1 4.05Å; V1408-L1412 PolarHBondContact O-N 2.88Å; A1409-L1412 PolarHBondContact O-N 3.3Å; L1412-V1426 HydrophobicContact CD2-CG1 4.11Å; L1412-A1429 HydrophobicContact CD1-CB 4.45Å; L1412-A1429 HydrophobicContact CD2-CB 3.62Å; L1412-A1429 HydrophobicContact CG-CB 4.02Å; L1412-D1430 VanDerWaalsContact CD1-OD1 3.3Å; L1412-D1430 WeakPolarHBondContact CD1-OD1 3.34Å; L1412-D1430 WeakPolarHBondContact CD2-OD1 3.48Å; L1412-L1433 HydrophobicContact CD1-CB 4.35Å; L1412-L1433 HydrophobicContact CD1-CD2 3.95Å |
| 1413 | T | 68.8 | Low | 66.9 | Low | 117 Ų | 117 | 73.7 Ų | 73.7 | 72% | 0.718 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -76.3 | -26 | 175.6 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | A1409 T1410 F1411 | A1409-T1413 WeakPolarHBondContact O-CG2 3.45Å; A1409-T1413 PolarHBondContact O-N 2.96Å; A1409-T1413 PolarHBondContact O-OG1 3.49Å; T1410-T1413 WeakPolarHBondContact CA-OG1 3.41Å; T1410-T1413 PolarHBondContact O-N 3.05Å; T1410-T1413 PolarHBondContact O-OG1 2.96Å; F1411-T1413 PolarHBondContact O-N 3.45Å |
| 1414 | K | 67 | Low | 66.9 | Low | 145 Ų | 145 | 77.4 Ų | 77.4 | 63% | 0.63 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -83.4 | -30.5 | -179.1 | -79.1 | -177.9 | 173.7 | -176.6 | 0 | 112.5 | C1257 T1410 F1411 | C1257-K1414 PolarHBondContact O-NZ 3.43Å; T1410-K1414 WeakPolarHBondContact O-CG 3.5Å; T1410-K1414 PolarHBondContact O-N 3.03Å; F1411-K1414 PolarHBondContact O-N 3.14Å |
| 1415 | V | 66 | Low | 66.8 | Low | 20 Ų | 20 | 77.5 Ų | 77.5 | 12% | 0.121 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -83.6 | 119 | -177.5 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | F1411 K1417 M1422 V1426 | F1411-V1415 HydrophobicContact CD2-CG2 4.25Å; F1411-V1415 HydrophobicContact CE1-CG2 4.15Å; F1411-V1415 HydrophobicContact CE2-CG2 3.82Å; F1411-V1415 HydrophobicContact CZ-CG2 3.76Å; F1411-V1415 PolarHBondContact O-N 3.11Å; V1415-K1417 PolarHBondContact O-N 3.26Å; V1415-M1422 HydrophobicContact CG1-CE 3.77Å; V1415-M1422 HydrophobicContact CG1-CG 4.24Å; V1415-M1422 HydrophobicContact CG2-CE 4.42Å; V1415-V1426 HydrophobicContact CG1-CG2 3.73Å |
| 1416 | K | 54.6 | Low | 66.8 | Low | 162 Ų | 162 | 77.5 Ų | 77.5 | 70% | 0.704 | 40% | 0.399 | S | S | * | . | trans | -68.9 | 122.8 | 174.6 | -76.6 | -176.5 | 178.1 | 178.6 | 0 | 109.1 | S1418 | K1416-S1418 PolarHBondContact O-N 3.09Š| ||
| 1417 | K | 52.7 | Low | 67.1 | Low | 159 Ų | 159 | 76.5 Ų | 76.5 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -3.6 | 178.5 | -73.3 | -167.9 | 172.1 | -162.3 | 0 | 115.2 | V1415 D1430 | V1415-K1417 PolarHBondContact O-N 3.26Å; K1417-D1430 IonicContact NZ-OD2 3.25Å |
| 1418 | S | 48.4 | Very low | 67.3 | Low | 89 Ų | 89 | 76.9 Ų | 76.9 | 62% | 0.622 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.3 | -175.2 | 55.8 | 0 | 0 | 0 | 0 | 115.1 | K1416 E1420 | K1416-S1418 PolarHBondContact O-N 3.09Å; S1418-E1420 PolarHBondContact O-N 3.34Å |
| 1419 | D | 53.6 | Low | 67.3 | Low | 87 Ų | 87 | 76.9 Ų | 76.9 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | trans | -82.7 | 102.6 | -178.9 | -72.8 | -20.7 | 0 | 0 | 0 | 110.1 | K1421 M1422 | D1419-K1421 PolarHBondContact O-N 3.33Å; D1419-M1422 HydrophobicContact CB-CB 4.23Å; D1419-M1422 PolarHBondContact O-N 3.03Å | ||
| 1420 | E | 56.4 | Low | 67.5 | Low | 172 Ų | 172 | 78.3 Ų | 78.3 | 80% | 0.804 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -49.7 | -33.4 | 177.9 | -75.9 | -176.2 | 162.9 | 0 | 0 | 112.7 | S1418 M1422 T1423 | S1418-E1420 PolarHBondContact O-N 3.34Å; E1420-M1422 VanDerWaalsContact C-N 3.3Å; E1420-M1422 PolarHBondContact O-N 3.07Å; E1420-T1423 WeakPolarHBondContact O-CG2 3.48Å; E1420-T1423 PolarHBondContact O-OG1 3.39Å |
| 1421 | K | 56.8 | Low | 67.9 | Low | 190 Ų | 190 | 79.2 Ų | 79.2 | 83% | 0.826 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -71.7 | -17 | 179.4 | -65.2 | -177.9 | -179.3 | 175.8 | 0 | 114.6 | D1419 | D1419-K1421 PolarHBondContact O-N 3.33Š|
| 1422 | M | 64 | Low | 68.2 | Low | 49 Ų | 49 | 78.7 Ų | 78.7 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -106.1 | 1.6 | -177.7 | -135.3 | 116.1 | 93.1 | 0 | 0 | 112.8 | L1353 V1415 D1419 E1420 D1424 V1425 V1426 | L1353-M1422 HydrophobicContact CD2-SD 4.45Å; V1415-M1422 HydrophobicContact CG1-CE 3.77Å; V1415-M1422 HydrophobicContact CG1-CG 4.24Å; V1415-M1422 HydrophobicContact CG2-CE 4.42Å; D1419-M1422 HydrophobicContact CB-CB 4.23Å; D1419-M1422 PolarHBondContact O-N 3.03Å; E1420-M1422 VanDerWaalsContact C-N 3.3Å; E1420-M1422 PolarHBondContact O-N 3.07Å; M1422-D1424 PolarHBondContact O-N 3.49Å; M1422-V1425 HydrophobicContact CG-CB 4.35Å; M1422-V1425 PolarHBondContact O-N 3.01Å; M1422-V1425 VanDerWaalsContact O-N 3.16Å; M1422-V1426 WeakPolarHBondContact O-CG2 3.41Å; M1422-V1426 PolarHBondContact O-N 2.92Å |
| 1423 | T | 73.1 | Confident | 68.4 | Low | 70 Ų | 70 | 78.9 Ų | 78.9 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | -174.9 | 50 | 0 | 0 | 0 | 0 | 112.9 | E1420 V1425 V1426 S1427 | E1420-T1423 WeakPolarHBondContact O-CG2 3.48Å; E1420-T1423 PolarHBondContact O-OG1 3.39Å; T1423-V1425 VanDerWaalsContact C-N 3.34Å; T1423-V1425 PolarHBondContact O-N 3.26Å; T1423-V1426 PolarHBondContact O-N 3.4Å; T1423-S1427 PolarHBondContact O-N 2.93Å; T1423-S1427 PolarHBondContact O-OG 3.04Å |
| 1424 | D | 73.1 | Confident | 68.9 | Low | 109 Ų | 109 | 76.7 Ų | 76.7 | 58% | 0.583 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.5 | -33.6 | 177.8 | -69.4 | -20.4 | 0 | 0 | 0 | 113.4 | M1422 S1427 C1428 | M1422-D1424 PolarHBondContact O-N 3.49Å; D1424-S1427 WeakPolarHBondContact CA-OG 3.49Å; D1424-S1427 PolarHBondContact O-OG 2.74Å; D1424-C1428 WeakPolarHBondContact O-CB 3.35Å; D1424-C1428 PolarHBondContact O-N 3.25Å; D1424-C1428 VanDerWaalsContact O-N 3.09Å; D1424-C1428 PolarHBondContact O-SG 3.47Å |
| 1425 | V | 75.7 | Confident | 69.5 | Low | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.7 | -43.4 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | L1353 N1354 W1357 F1411 M1422 T1423 S1427 C1428 A1429 | L1353-V1425 HydrophobicContact CD2-CG1 3.8Å; L1353-V1425 HydrophobicContact CD2-CG2 4.27Å; L1353-V1425 HydrophobicContact CG-CG1 4.14Å; N1354-V1425 WeakPolarHBondContact OD1-CG2 3.29Å; W1357-V1425 HydrophobicContact CB-CG1 4.05Å; W1357-V1425 HydrophobicContact CG-CG1 3.72Å; F1411-V1425 HydrophobicContact CE1-CG1 4.03Å; F1411-V1425 HydrophobicContact CZ-CG1 3.82Å; M1422-V1425 HydrophobicContact CG-CB 4.35Å; M1422-V1425 PolarHBondContact O-N 3.01Å; M1422-V1425 VanDerWaalsContact O-N 3.16Å; T1423-V1425 VanDerWaalsContact C-N 3.34Å; T1423-V1425 PolarHBondContact O-N 3.26Å; V1425-S1427 VanDerWaalsContact C-N 3.35Å; V1425-C1428 PolarHBondContact O-N 2.97Å; V1425-A1429 WeakPolarHBondContact O-CB 3.28Å; V1425-A1429 PolarHBondContact O-N 2.95Å |
| 1426 | V | 76.5 | Confident | 70.2 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 11% | 0.109 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | L1412 V1415 M1422 T1423 A1429 D1430 | L1412-V1426 HydrophobicContact CD2-CG1 4.11Å; V1415-V1426 HydrophobicContact CG1-CG2 3.73Å; M1422-V1426 WeakPolarHBondContact O-CG2 3.41Å; M1422-V1426 PolarHBondContact O-N 2.92Å; T1423-V1426 PolarHBondContact O-N 3.4Å; V1426-A1429 PolarHBondContact O-N 3.39Å; V1426-D1430 WeakPolarHBondContact O-CB 3.39Å; V1426-D1430 PolarHBondContact O-N 2.9Å |
| 1427 | S | 79.2 | Confident | 71.3 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 176.3 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | T1423 D1424 V1425 A1429 D1430 E1431 | T1423-S1427 PolarHBondContact O-N 2.93Å; T1423-S1427 PolarHBondContact O-OG 3.04Å; D1424-S1427 WeakPolarHBondContact CA-OG 3.49Å; D1424-S1427 PolarHBondContact O-OG 2.74Å; V1425-S1427 VanDerWaalsContact C-N 3.35Å; S1427-A1429 VanDerWaalsContact C-N 3.32Å; S1427-A1429 PolarHBondContact O-N 3.33Å; S1427-D1430 PolarHBondContact O-N 3.41Å; S1427-E1431 WeakPolarHBondContact O-CG 3.35Å; S1427-E1431 PolarHBondContact O-N 3.08Å |
| 1428 | C | 79.2 | Confident | 72.4 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 173.6 | -72 | 0 | 0 | 0 | 0 | 111.8 | W1357 N1361 D1424 V1425 E1431 T1432 | W1357-C1428 HydrophobicContact CB-CB 4.2Å; N1361-C1428 HydrophobicContact CB-CB 4.29Å; D1424-C1428 WeakPolarHBondContact O-CB 3.35Å; D1424-C1428 PolarHBondContact O-N 3.25Å; D1424-C1428 VanDerWaalsContact O-N 3.09Å; D1424-C1428 PolarHBondContact O-SG 3.47Å; V1425-C1428 PolarHBondContact O-N 2.97Å; C1428-E1431 PolarHBondContact O-N 3.45Å; C1428-T1432 WeakPolarHBondContact O-CG2 3.48Å; C1428-T1432 PolarHBondContact O-N 3.4Å |
| 1429 | A | 76.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1357 F1411 L1412 V1425 V1426 S1427 T1432 L1433 | W1357-A1429 HydrophobicContact CD2-CB 4.13Å; W1357-A1429 HydrophobicContact CE3-CB 3.72Å; W1357-A1429 HydrophobicContact CH2-CB 4.26Å; W1357-A1429 HydrophobicContact CZ3-CB 3.79Å; F1411-A1429 HydrophobicContact CD1-CB 4.08Å; F1411-A1429 HydrophobicContact CE1-CB 4.07Å; L1412-A1429 HydrophobicContact CD1-CB 4.45Å; L1412-A1429 HydrophobicContact CD2-CB 3.62Å; L1412-A1429 HydrophobicContact CG-CB 4.02Å; V1425-A1429 WeakPolarHBondContact O-CB 3.28Å; V1425-A1429 PolarHBondContact O-N 2.95Å; V1426-A1429 PolarHBondContact O-N 3.39Å; S1427-A1429 VanDerWaalsContact C-N 3.32Å; S1427-A1429 PolarHBondContact O-N 3.33Å; A1429-T1432 WeakPolarHBondContact CA-OG1 3.27Å; A1429-T1432 PolarHBondContact O-N 3.4Å; A1429-T1432 PolarHBondContact O-OG1 3.26Å; A1429-L1433 PolarHBondContact O-N 2.65Å |
| 1430 | D | 77.7 | Confident | 74.6 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 35% | 0.353 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 174.3 | -87.6 | -20.2 | 0 | 0 | 0 | 111.1 | L1412 K1417 V1426 S1427 L1433 S1434 | L1412-D1430 VanDerWaalsContact CD1-OD1 3.3Å; L1412-D1430 WeakPolarHBondContact CD1-OD1 3.34Å; L1412-D1430 WeakPolarHBondContact CD2-OD1 3.48Å; K1417-D1430 IonicContact NZ-OD2 3.25Å; V1426-D1430 WeakPolarHBondContact O-CB 3.39Å; V1426-D1430 PolarHBondContact O-N 2.9Å; S1427-D1430 PolarHBondContact O-N 3.41Å; D1430-L1433 PolarHBondContact O-N 2.93Å; D1430-S1434 PolarHBondContact O-N 3.25Å |
| 1431 | E | 81.1 | Confident | 75.4 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 43% | 0.425 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.9 | -75.7 | -175.6 | -173.1 | 0 | 0 | 112 | N1361 Q1365 S1427 C1428 L1433 S1434 G1435 | N1361-E1431 PolarHBondContact ND2-OE2 3.23Å; Q1365-E1431 PolarHBondContact NE2-OE2 3.33Å; S1427-E1431 WeakPolarHBondContact O-CG 3.35Å; S1427-E1431 PolarHBondContact O-N 3.08Å; C1428-E1431 PolarHBondContact O-N 3.45Å; E1431-L1433 VanDerWaalsContact C-N 3.3Å; E1431-L1433 PolarHBondContact O-N 3.47Å; E1431-S1434 PolarHBondContact O-N 3.19Å; E1431-S1434 VanDerWaalsContact O-N 3.16Å; E1431-S1434 PolarHBondContact O-OG 3.12Å; E1431-G1435 PolarHBondContact O-N 2.99Å |
| 1432 | T | 80 | Confident | 76 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 175.9 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | W1357 V1360 N1361 C1428 A1429 S1434 G1435 L1436 | W1357-T1432 HydrophobicContact CE3-CG2 4.5Å; V1360-T1432 HydrophobicContact CB-CG2 4.3Å; V1360-T1432 HydrophobicContact CG1-CG2 3.8Å; N1361-T1432 HydrophobicContact CB-CG2 3.66Å; C1428-T1432 WeakPolarHBondContact O-CG2 3.48Å; C1428-T1432 PolarHBondContact O-N 3.4Å; A1429-T1432 WeakPolarHBondContact CA-OG1 3.27Å; A1429-T1432 PolarHBondContact O-N 3.4Å; A1429-T1432 PolarHBondContact O-OG1 3.26Å; T1432-S1434 VanDerWaalsContact C-N 3.33Å; T1432-S1434 PolarHBondContact O-N 3.46Å; T1432-G1435 PolarHBondContact O-N 2.69Å; T1432-L1436 WeakPolarHBondContact O-CB 3.44Å; T1432-L1436 VanDerWaalsContact O-CG 3.28Å; T1432-L1436 WeakPolarHBondContact O-CG 3.45Å; T1432-L1436 PolarHBondContact O-N 3.42Å |
| 1433 | L | 76.6 | Confident | 76.3 | Confident | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.9 | -173.3 | 66.7 | 0 | 0 | 0 | 110.9 | M1405 V1408 L1412 A1429 D1430 E1431 Q1437 | M1405-L1433 HydrophobicContact CB-CD1 4.37Å; M1405-L1433 HydrophobicContact CE-CD1 4.3Å; M1405-L1433 HydrophobicContact CG-CD1 4.49Å; V1408-L1433 HydrophobicContact CG1-CB 4.09Å; V1408-L1433 HydrophobicContact CG1-CD1 4.4Å; L1412-L1433 HydrophobicContact CD1-CB 4.35Å; L1412-L1433 HydrophobicContact CD1-CD2 3.95Å; A1429-L1433 PolarHBondContact O-N 2.65Å; D1430-L1433 PolarHBondContact O-N 2.93Å; E1431-L1433 VanDerWaalsContact C-N 3.3Å; E1431-L1433 PolarHBondContact O-N 3.47Å; L1433-Q1437 VanDerWaalsContact O-CG 3.26Å; L1433-Q1437 WeakPolarHBondContact O-CG 2.94Å; L1433-Q1437 PolarHBondContact O-N 2.99Å; L1433-Q1437 VanDerWaalsContact O-N 3.08Å |
| 1434 | S | 78.3 | Confident | 75.9 | Confident | 70 Ų | 70 | 35.8 Ų | 35.8 | 49% | 0.49 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 176.6 | 79.8 | 0 | 0 | 0 | 0 | 112.5 | D1430 E1431 T1432 Q1437 S1438 | D1430-S1434 PolarHBondContact O-N 3.25Å; E1431-S1434 PolarHBondContact O-N 3.19Å; E1431-S1434 VanDerWaalsContact O-N 3.16Å; E1431-S1434 PolarHBondContact O-OG 3.12Å; T1432-S1434 VanDerWaalsContact C-N 3.33Å; T1432-S1434 PolarHBondContact O-N 3.46Å; S1434-Q1437 WeakPolarHBondContact O-CB 3.23Å; S1434-Q1437 PolarHBondContact O-N 3.37Å; S1434-S1438 PolarHBondContact O-N 3.18Å |
| 1435 | G | 79.8 | Confident | 75.6 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1431 T1432 Q1437 S1438 I1439 | E1431-G1435 PolarHBondContact O-N 2.99Å; T1432-G1435 PolarHBondContact O-N 2.69Å; G1435-Q1437 VanDerWaalsContact C-N 3.29Å; G1435-Q1437 PolarHBondContact O-N 2.97Å; G1435-S1438 WeakPolarHBondContact O-CA 3.49Å; G1435-S1438 WeakPolarHBondContact O-CB 3.45Å; G1435-S1438 PolarHBondContact O-N 2.8Å; G1435-I1439 WeakPolarHBondContact O-CG1 3.36Å; G1435-I1439 PolarHBondContact O-N 2.77Å |
| 1436 | L | 80.3 | Confident | 75 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -36.8 | 175.3 | -69.6 | 171.9 | 0 | 0 | 0 | 112.1 | T1364 I1401 L1404 M1405 V1408 T1432 I1439 L1440 | T1364-L1436 HydrophobicContact CG2-CD2 4.06Å; T1364-L1436 HydrophobicContact CG2-CG 3.9Å; I1401-L1436 HydrophobicContact CG2-CD2 4.36Å; L1404-L1436 HydrophobicContact CB-CD1 4.49Å; L1404-L1436 HydrophobicContact CD2-CD1 3.89Å; L1404-L1436 HydrophobicContact CD2-CD2 3.97Å; L1404-L1436 HydrophobicContact CG-CD1 3.93Å; M1405-L1436 HydrophobicContact CG-CB 3.61Å; M1405-L1436 HydrophobicContact CG-CD1 3.86Å; M1405-L1436 HydrophobicContact CG-CG 4.33Å; M1405-L1436 HydrophobicContact SD-CB 4.2Å; V1408-L1436 HydrophobicContact CG2-CD1 4.34Å; T1432-L1436 WeakPolarHBondContact O-CB 3.44Å; T1432-L1436 VanDerWaalsContact O-CG 3.28Å; T1432-L1436 WeakPolarHBondContact O-CG 3.45Å; T1432-L1436 PolarHBondContact O-N 3.42Å; L1436-I1439 HydrophobicContact CD2-CD1 4.3Å; L1436-I1439 PolarHBondContact O-N 3.08Å; L1436-L1440 WeakPolarHBondContact O-CB 3.41Å; L1436-L1440 PolarHBondContact O-N 3.19Å |
| 1437 | Q | 77.2 | Confident | 74.6 | Confident | 93 Ų | 93 | 37.7 Ų | 37.7 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64 | -42.2 | 171.6 | -73.2 | 175.7 | 14.6 | 0 | 0 | 111.8 | M1405 L1433 S1434 G1435 L1440 V1441 | M1405-Q1437 HydrophobicContact CE-CG 3.46Å; M1405-Q1437 VanDerWaalsContact CE-CG 3.46Å; M1405-Q1437 HydrophobicContact SD-CG 4.5Å; L1433-Q1437 VanDerWaalsContact O-CG 3.26Å; L1433-Q1437 WeakPolarHBondContact O-CG 2.94Å; L1433-Q1437 PolarHBondContact O-N 2.99Å; L1433-Q1437 VanDerWaalsContact O-N 3.08Å; S1434-Q1437 WeakPolarHBondContact O-CB 3.23Å; S1434-Q1437 PolarHBondContact O-N 3.37Å; G1435-Q1437 VanDerWaalsContact C-N 3.29Å; G1435-Q1437 PolarHBondContact O-N 2.97Å; Q1437-L1440 PolarHBondContact O-N 3.29Å; Q1437-V1441 WeakPolarHBondContact O-CG2 3.45Å; Q1437-V1441 PolarHBondContact O-N 3.14Å |
| 1438 | S | 76.7 | Confident | 73.8 | Confident | 35 Ų | 35 | 38 Ų | 38 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.7 | -162.4 | 0 | 0 | 0 | 0 | 112.2 | S1434 G1435 L1440 V1441 Q1442 | S1434-S1438 PolarHBondContact O-N 3.18Å; G1435-S1438 WeakPolarHBondContact O-CA 3.49Å; G1435-S1438 WeakPolarHBondContact O-CB 3.45Å; G1435-S1438 PolarHBondContact O-N 2.8Å; S1438-L1440 PolarHBondContact O-N 3.1Å; S1438-V1441 PolarHBondContact O-N 3.5Å; S1438-Q1442 WeakPolarHBondContact O-CB 3.01Å; S1438-Q1442 VanDerWaalsContact O-CG 3.26Å; S1438-Q1442 WeakPolarHBondContact O-CG 3.35Å; S1438-Q1442 PolarHBondContact O-N 2.78Å; S1438-Q1442 PolarHBondContact OG-NE2 3.03Å |
| 1439 | I | 75.8 | Confident | 73.1 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 175.2 | -70.1 | 162.7 | 0 | 0 | 0 | 110.2 | T1364 I1367 V1368 I1371 I1401 G1435 L1436 V1441 Q1442 I1443 | T1364-I1439 HydrophobicContact CG2-CD1 4Å; I1367-I1439 HydrophobicContact CB-CD1 3.74Å; I1367-I1439 HydrophobicContact CG2-CD1 3.46Å; I1367-I1439 VanDerWaalsContact CG2-CD1 3.46Å; I1367-I1439 HydrophobicContact CG2-CG1 3.96Å; I1367-I1439 HydrophobicContact CG2-CG2 4.35Å; V1368-I1439 HydrophobicContact CB-CG1 4.43Å; V1368-I1439 HydrophobicContact CG2-CD1 3.91Å; V1368-I1439 HydrophobicContact CG2-CG1 3.56Å; I1371-I1439 HydrophobicContact CD1-CB 4.37Å; I1371-I1439 HydrophobicContact CD1-CG1 4.29Å; I1371-I1439 HydrophobicContact CD1-CG2 3.6Å; I1401-I1439 HydrophobicContact CD1-CG2 3.72Å; G1435-I1439 WeakPolarHBondContact O-CG1 3.36Å; G1435-I1439 PolarHBondContact O-N 2.77Å; L1436-I1439 HydrophobicContact CD2-CD1 4.3Å; L1436-I1439 PolarHBondContact O-N 3.08Å; I1439-V1441 PolarHBondContact O-N 3.21Å; I1439-Q1442 PolarHBondContact O-N 3.23Å; I1439-I1443 HydrophobicContact CG2-CD1 3.67Å; I1439-I1443 HydrophobicContact CG2-CG1 4.44Å; I1439-I1443 WeakPolarHBondContact O-CG1 3.44Å; I1439-I1443 PolarHBondContact O-N 3.34Å |
| 1440 | L | 73.1 | Confident | 72.5 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | -179.1 | -174.8 | 67.2 | 0 | 0 | 0 | 111.1 | V1398 V1402 M1405 L1436 Q1437 S1438 L1444 L1474 | V1398-L1440 HydrophobicContact CG1-CD1 3.58Å; V1398-L1440 HydrophobicContact CG2-CD1 4.29Å; V1402-L1440 HydrophobicContact CG2-CD1 4.48Å; M1405-L1440 HydrophobicContact SD-CD2 4.39Å; L1436-L1440 WeakPolarHBondContact O-CB 3.41Å; L1436-L1440 PolarHBondContact O-N 3.19Å; Q1437-L1440 PolarHBondContact O-N 3.29Å; S1438-L1440 PolarHBondContact O-N 3.1Å; L1440-L1444 HydrophobicContact CD1-CD1 4.25Å; L1440-L1444 HydrophobicContact CG-CD1 3.87Å; L1440-L1444 WeakPolarHBondContact O-CB 2.88Å; L1440-L1444 WeakPolarHBondContact O-CD1 3.33Å; L1440-L1444 WeakPolarHBondContact O-CG 3.36Å; L1440-L1444 PolarHBondContact O-N 3.24Å; L1440-L1444 VanDerWaalsContact O-N 3.09Å; L1440-L1474 HydrophobicContact CD1-CD1 4.48Å; L1440-L1474 HydrophobicContact CD2-CD1 4.34Å; L1440-L1474 HydrophobicContact CD2-CD2 4.43Å |
| 1441 | V | 71.8 | Confident | 71.9 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63 | -45.4 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | Q1437 S1438 I1439 I1443 L1444 D1445 | Q1437-V1441 WeakPolarHBondContact O-CG2 3.45Å; Q1437-V1441 PolarHBondContact O-N 3.14Å; S1438-V1441 PolarHBondContact O-N 3.5Å; I1439-V1441 PolarHBondContact O-N 3.21Å; V1441-I1443 PolarHBondContact O-N 3.13Å; V1441-L1444 WeakPolarHBondContact O-CB 3.08Å; V1441-L1444 PolarHBondContact O-N 3.18Å; V1441-L1444 VanDerWaalsContact O-N 3.14Å; V1441-D1445 PolarHBondContact O-N 3.12Å |
| 1442 | Q | 70 | Confident | 71.3 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | -179.6 | -69.6 | 172.6 | 28.8 | 0 | 0 | 113.1 | I1371 R1372 S1438 I1439 L1444 D1445 S1446 | I1371-Q1442 HydrophobicContact CG2-CB 3.94Å; R1372-Q1442 VanDerWaalsContact CG-OE1 3.28Å; S1438-Q1442 WeakPolarHBondContact O-CB 3.01Å; S1438-Q1442 VanDerWaalsContact O-CG 3.26Å; S1438-Q1442 WeakPolarHBondContact O-CG 3.35Å; S1438-Q1442 PolarHBondContact O-N 2.78Å; S1438-Q1442 PolarHBondContact OG-NE2 3.03Å; I1439-Q1442 PolarHBondContact O-N 3.23Å; Q1442-L1444 VanDerWaalsContact C-N 3.29Å; Q1442-L1444 PolarHBondContact O-N 3.08Å; Q1442-D1445 PolarHBondContact O-N 3.21Å; Q1442-S1446 WeakPolarHBondContact O-CB 3.07Å; Q1442-S1446 PolarHBondContact O-N 3.41Å; Q1442-S1446 PolarHBondContact O-OG 2.89Å |
| 1443 | I | 69.9 | Low | 70.6 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 173.4 | -68.8 | 169.5 | 0 | 0 | 0 | 110.2 | I1371 Y1394 L1397 V1398 I1401 I1439 V1441 S1446 V1447 M1455 | I1371-I1443 HydrophobicContact CD1-CD1 4.09Å; I1371-I1443 HydrophobicContact CD1-CG1 4.12Å; Y1394-I1443 HydrophobicContact CD1-CG2 3.74Å; Y1394-I1443 HydrophobicContact CE1-CG2 4.07Å; L1397-I1443 HydrophobicContact CD2-CD1 3.78Å; V1398-I1443 HydrophobicContact CG2-CG2 4.22Å; I1401-I1443 HydrophobicContact CD1-CD1 3.78Å; I1439-I1443 HydrophobicContact CG2-CD1 3.67Å; I1439-I1443 HydrophobicContact CG2-CG1 4.44Å; I1439-I1443 WeakPolarHBondContact O-CG1 3.44Å; I1439-I1443 PolarHBondContact O-N 3.34Å; V1441-I1443 PolarHBondContact O-N 3.13Å; I1443-S1446 PolarHBondContact O-OG 3.29Å; I1443-S1446 VanDerWaalsContact O-OG 3.09Å; I1443-V1447 WeakPolarHBondContact O-CG2 3.31Å; I1443-M1455 HydrophobicContact CG2-CE 4.3Å |
| 1444 | L | 65.7 | Low | 70.1 | Confident | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.131 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.3 | -33.5 | -179.2 | -72.1 | 166.2 | 0 | 0 | 0 | 113.4 | L1440 V1441 Q1442 F1452 L1474 | L1440-L1444 HydrophobicContact CD1-CD1 4.25Å; L1440-L1444 HydrophobicContact CG-CD1 3.87Å; L1440-L1444 WeakPolarHBondContact O-CB 2.88Å; L1440-L1444 WeakPolarHBondContact O-CD1 3.33Å; L1440-L1444 WeakPolarHBondContact O-CG 3.36Å; L1440-L1444 PolarHBondContact O-N 3.24Å; L1440-L1444 VanDerWaalsContact O-N 3.09Å; V1441-L1444 WeakPolarHBondContact O-CB 3.08Å; V1441-L1444 PolarHBondContact O-N 3.18Å; V1441-L1444 VanDerWaalsContact O-N 3.14Å; Q1442-L1444 VanDerWaalsContact C-N 3.29Å; Q1442-L1444 PolarHBondContact O-N 3.08Å; L1444-F1452 HydrophobicContact CD2-CD2 3.51Å; L1444-F1452 HydrophobicContact CD2-CE2 3.46Å; L1444-F1452 VanDerWaalsContact CD2-CE2 3.46Å; L1444-L1474 HydrophobicContact CD1-CD1 3.87Å; L1444-L1474 HydrophobicContact CD1-CD2 3.45Å; L1444-L1474 VanDerWaalsContact CD1-CD2 3.45Å; L1444-L1474 HydrophobicContact CD1-CG 4.21Å; L1444-L1474 HydrophobicContact CD2-CD1 4.39Å |
| 1445 | D | 65.9 | Low | 69.6 | Low | 126 Ų | 126 | 34.9 Ų | 34.9 | 67% | 0.674 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -77.6 | -28.1 | 179.1 | -72.5 | -23.3 | 0 | 0 | 0 | 112.9 | V1441 Q1442 | V1441-D1445 PolarHBondContact O-N 3.12Å; Q1442-D1445 PolarHBondContact O-N 3.21Å |
| 1446 | S | 64.3 | Low | 69.1 | Low | 28 Ų | 28 | 34.5 Ų | 34.5 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -82.9 | -19.6 | -178 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | Q1442 I1443 | Q1442-S1446 WeakPolarHBondContact O-CB 3.07Å; Q1442-S1446 PolarHBondContact O-N 3.41Å; Q1442-S1446 PolarHBondContact O-OG 2.89Å; I1443-S1446 PolarHBondContact O-OG 3.29Å; I1443-S1446 VanDerWaalsContact O-OG 3.09Å |
| 1447 | V | 66.2 | Low | 68.6 | Low | 15 Ų | 15 | 35 Ų | 35 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -92.2 | 132.2 | -170.8 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | I1443 V1451 F1452 M1455 | I1443-V1447 WeakPolarHBondContact O-CG2 3.31Å; V1447-V1451 HydrophobicContact CG1-CB 3.43Å; V1447-V1451 VanDerWaalsContact CG1-CB 3.43Å; V1447-V1451 HydrophobicContact CG1-CG1 3.46Å; V1447-V1451 VanDerWaalsContact CG1-CG1 3.46Å; V1447-F1452 HydrophobicContact CG1-CB 4.36Å; V1447-M1455 HydrophobicContact CG1-SD 4.23Å |
| 1448 | P | 63.5 | Low | 68 | Low | 59 Ų | 59 | 33.5 Ų | 33.5 | 38% | 0.383 | 19% | 0.187 | S | C | . | . | trans | -64.2 | 143.9 | 176.6 | 25.1 | -32.9 | 0 | 0 | 0 | 111.6 | F1384 R1450 V1451 F1452 | F1384-P1448 HydrophobicContact CD1-CG 3.86Å; F1384-P1448 HydrophobicContact CE1-CG 3.83Å; F1384-P1448 HydrophobicContact CG-CG 4.3Å; F1384-P1448 HydrophobicContact CZ-CG 4.24Å; P1448-R1450 PolarHBondContact O-N 3.3Å; P1448-V1451 HydrophobicContact CG-CG2 4.33Å; P1448-V1451 PolarHBondContact O-N 3.26Å; P1448-F1452 PolarHBondContact O-N 2.93Å | ||
| 1449 | G | 64.6 | Low | 67.6 | Low | 25 Ų | 25 | 32.1 Ų | 32.1 | 26% | 0.258 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -52.8 | -26.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | I1453 | G1449-I1453 WeakPolarHBondContact O-CG1 3.37Å; G1449-I1453 PolarHBondContact O-N 3.48Å |
| 1450 | R | 63.7 | Low | 67.1 | Low | 129 Ų | 129 | 32.2 Ų | 32.2 | 49% | 0.487 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.8 | -45 | 174.4 | -176.6 | -175.2 | 177 | -147.3 | -5.1 | 112.1 | P1448 S1454 | P1448-R1450 PolarHBondContact O-N 3.3Å; R1450-S1454 PolarHBondContact O-N 2.84Å |
| 1451 | V | 64.6 | Low | 66.8 | Low | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74 | -40.3 | -177.3 | 174.2 | 0 | 0 | 0 | 0 | 110 | P1387 L1390 V1447 P1448 I1453 S1454 M1455 | P1387-V1451 HydrophobicContact CB-CG2 4.28Å; L1390-V1451 HydrophobicContact CD2-CG1 3.95Å; V1447-V1451 HydrophobicContact CG1-CB 3.43Å; V1447-V1451 VanDerWaalsContact CG1-CB 3.43Å; V1447-V1451 HydrophobicContact CG1-CG1 3.46Å; V1447-V1451 VanDerWaalsContact CG1-CG1 3.46Å; P1448-V1451 HydrophobicContact CG-CG2 4.33Å; P1448-V1451 PolarHBondContact O-N 3.26Å; V1451-I1453 VanDerWaalsContact C-N 3.29Å; V1451-I1453 PolarHBondContact O-N 2.85Å; V1451-S1454 PolarHBondContact O-N 2.96Å; V1451-S1454 VanDerWaalsContact O-N 3.1Å; V1451-M1455 HydrophobicContact CG1-CG 4.26Å; V1451-M1455 HydrophobicContact CG1-SD 3.86Å; V1451-M1455 VanDerWaalsContact O-CG 3.29Å; V1451-M1455 WeakPolarHBondContact O-CG 3.26Å; V1451-M1455 PolarHBondContact O-N 3.15Å |
| 1452 | F | 68.9 | Low | 66.4 | Low | 15 Ų | 15 | 32.9 Ų | 32.9 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52.7 | -43.9 | 172.2 | 168.3 | -102.9 | 0 | 0 | 0 | 112.5 | L1444 V1447 P1448 M1455 I1456 K1478 | L1444-F1452 HydrophobicContact CD2-CD2 3.51Å; L1444-F1452 HydrophobicContact CD2-CE2 3.46Å; L1444-F1452 VanDerWaalsContact CD2-CE2 3.46Å; V1447-F1452 HydrophobicContact CG1-CB 4.36Å; P1448-F1452 PolarHBondContact O-N 2.93Å; F1452-M1455 PolarHBondContact O-N 3.21Å; F1452-I1456 HydrophobicContact CD1-CD1 4.21Å; F1452-I1456 HydrophobicContact CD2-CD1 4.09Å; F1452-I1456 HydrophobicContact CD2-CG1 4.48Å; F1452-I1456 HydrophobicContact CE1-CD1 3.54Å; F1452-I1456 HydrophobicContact CE2-CD1 3.38Å; F1452-I1456 HydrophobicContact CE2-CG1 4.12Å; F1452-I1456 HydrophobicContact CG-CD1 4.48Å; F1452-I1456 HydrophobicContact CZ-CD1 3.11Å; F1452-I1456 HydrophobicContact CZ-CG1 4.27Å; F1452-I1456 WeakPolarHBondContact O-CG1 3.19Å; F1452-I1456 PolarHBondContact O-N 3.08Å; F1452-K1478 HydrophobicContact CE1-CB 3.85Å; F1452-K1478 HydrophobicContact CE1-CG 3.69Å; F1452-K1478 HydrophobicContact CZ-CB 3.73Å; F1452-K1478 HydrophobicContact CZ-CG 3.98Å |
| 1453 | I | 66.6 | Low | 65.7 | Low | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 177.9 | -69.1 | 164.3 | 0 | 0 | 0 | 111.9 | G1449 V1451 M1455 I1456 L1457 M1522 L1526 | G1449-I1453 WeakPolarHBondContact O-CG1 3.37Å; G1449-I1453 PolarHBondContact O-N 3.48Å; V1451-I1453 VanDerWaalsContact C-N 3.29Å; V1451-I1453 PolarHBondContact O-N 2.85Å; I1453-M1455 VanDerWaalsContact C-N 3.32Å; I1453-M1455 PolarHBondContact O-N 3.47Å; I1453-I1456 PolarHBondContact O-N 2.49Å; I1453-L1457 HydrophobicContact CG2-CD1 3.72Å; I1453-L1457 HydrophobicContact CG2-CG 4.2Å; I1453-L1457 WeakPolarHBondContact O-CB 3.47Å; I1453-L1457 VanDerWaalsContact O-CG 3.28Å; I1453-L1457 WeakPolarHBondContact O-CG 3.14Å; I1453-L1457 PolarHBondContact O-N 2.92Å; I1453-M1522 HydrophobicContact CD1-CB 4.16Å; I1453-M1522 HydrophobicContact CD1-CG 3.48Å; I1453-M1522 VanDerWaalsContact CD1-CG 3.48Å; I1453-M1522 VanDerWaalsContact CD1-O 3.24Å; I1453-M1522 WeakPolarHBondContact CD1-O 3.38Å; I1453-L1526 HydrophobicContact CD1-CD2 4.01Å; I1453-L1526 HydrophobicContact CD1-CG 3.83Å; I1453-L1526 HydrophobicContact CG1-CD2 4.27Å |
| 1454 | S | 65.2 | Low | 65.4 | Low | 35 Ų | 35 | 43.2 Ų | 43.2 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 176 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | R1450 V1451 I1456 L1457 D1458 | R1450-S1454 PolarHBondContact O-N 2.84Å; V1451-S1454 PolarHBondContact O-N 2.96Å; V1451-S1454 VanDerWaalsContact O-N 3.1Å; S1454-I1456 PolarHBondContact O-N 2.96Å; S1454-L1457 WeakPolarHBondContact O-CB 3.47Å; S1454-L1457 PolarHBondContact O-N 2.8Å; S1454-D1458 PolarHBondContact O-N 3.26Å |
| 1455 | M | 67.2 | Low | 65.4 | Low | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.5 | -66.5 | 169.5 | 62.2 | 0 | 0 | 112 | Y1394 V1398 I1443 V1447 V1451 F1452 I1453 D1458 L1459 | Y1394-M1455 VanDerWaalsContact CB-SD 3.6Å; Y1394-M1455 WeakPolarHBondContact O-CE 3.33Å; V1398-M1455 HydrophobicContact CB-CE 4.19Å; V1398-M1455 HydrophobicContact CG2-CE 3.3Å; I1443-M1455 HydrophobicContact CG2-CE 4.3Å; V1447-M1455 HydrophobicContact CG1-SD 4.23Å; V1451-M1455 HydrophobicContact CG1-CG 4.26Å; V1451-M1455 HydrophobicContact CG1-SD 3.86Å; V1451-M1455 VanDerWaalsContact O-CG 3.29Å; V1451-M1455 WeakPolarHBondContact O-CG 3.26Å; V1451-M1455 PolarHBondContact O-N 3.15Å; F1452-M1455 PolarHBondContact O-N 3.21Å; I1453-M1455 VanDerWaalsContact C-N 3.32Å; I1453-M1455 PolarHBondContact O-N 3.47Å; M1455-D1458 PolarHBondContact O-N 2.8Å; M1455-L1459 WeakPolarHBondContact O-CB 3.38Å; M1455-L1459 WeakPolarHBondContact O-CD1 3.2Å; M1455-L1459 WeakPolarHBondContact O-CG 2.88Å; M1455-L1459 PolarHBondContact O-N 3.16Å |
| 1456 | I | 70.5 | Confident | 65.4 | Low | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 174.4 | -71.2 | -177.4 | 0 | 0 | 0 | 111.3 | F1452 I1453 S1454 D1458 L1459 F1460 A1471 L1474 L1475 F1529 | F1452-I1456 HydrophobicContact CD1-CD1 4.21Å; F1452-I1456 HydrophobicContact CD2-CD1 4.09Å; F1452-I1456 HydrophobicContact CD2-CG1 4.48Å; F1452-I1456 HydrophobicContact CE1-CD1 3.54Å; F1452-I1456 HydrophobicContact CE2-CD1 3.38Å; F1452-I1456 HydrophobicContact CE2-CG1 4.12Å; F1452-I1456 HydrophobicContact CG-CD1 4.48Å; F1452-I1456 HydrophobicContact CZ-CD1 3.11Å; F1452-I1456 HydrophobicContact CZ-CG1 4.27Å; F1452-I1456 WeakPolarHBondContact O-CG1 3.19Å; F1452-I1456 PolarHBondContact O-N 3.08Å; I1453-I1456 PolarHBondContact O-N 2.49Å; S1454-I1456 PolarHBondContact O-N 2.96Å; I1456-D1458 VanDerWaalsContact C-N 3.27Å; I1456-D1458 PolarHBondContact O-N 2.82Å; I1456-L1459 PolarHBondContact O-N 2.95Å; I1456-F1460 WeakPolarHBondContact O-CB 3.3Å; I1456-F1460 PolarHBondContact O-N 2.94Å; I1456-A1471 HydrophobicContact CG2-CB 4.41Å; I1456-L1474 HydrophobicContact CD1-CB 4.43Å; I1456-L1475 HydrophobicContact CD1-CB 4.1Å; I1456-L1475 HydrophobicContact CD1-CD1 4.2Å; I1456-L1475 HydrophobicContact CG2-CB 4.46Å; I1456-L1475 HydrophobicContact CG2-CD1 4.06Å; I1456-F1529 HydrophobicContact CG2-CD2 4.24Å; I1456-F1529 HydrophobicContact CG2-CE2 3.6Å; I1456-F1529 HydrophobicContact CG2-CZ 4.02Å |
| 1457 | L | 68.6 | Low | 65.4 | Low | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -36.9 | 176.5 | -80.3 | 165.8 | 0 | 0 | 0 | 112 | I1453 S1454 S1461 F1529 K1532 | I1453-L1457 HydrophobicContact CG2-CD1 3.72Å; I1453-L1457 HydrophobicContact CG2-CG 4.2Å; I1453-L1457 WeakPolarHBondContact O-CB 3.47Å; I1453-L1457 VanDerWaalsContact O-CG 3.28Å; I1453-L1457 WeakPolarHBondContact O-CG 3.14Å; I1453-L1457 PolarHBondContact O-N 2.92Å; S1454-L1457 WeakPolarHBondContact O-CB 3.47Å; S1454-L1457 PolarHBondContact O-N 2.8Å; L1457-S1461 WeakPolarHBondContact O-CB 3.23Å; L1457-S1461 PolarHBondContact O-N 3.35Å; L1457-S1461 VanDerWaalsContact O-N 3.12Å; L1457-F1529 HydrophobicContact CD2-CB 4.11Å; L1457-F1529 HydrophobicContact CD2-CD2 3.51Å; L1457-F1529 HydrophobicContact CD2-CE2 4.4Å; L1457-F1529 HydrophobicContact CD2-CG 4.28Å; L1457-F1529 HydrophobicContact CG-CD2 3.96Å; L1457-K1532 HydrophobicContact CD2-CD 3.6Å; L1457-K1532 HydrophobicContact CD2-CG 4.49Å |
| 1458 | D | 65 | Low | 65.5 | Low | 61 Ų | 61 | 47.4 Ų | 47.4 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73 | -49.9 | 177.7 | -66.3 | -20.7 | 0 | 0 | 0 | 110.6 | S1454 M1455 I1456 F1460 S1461 C1462 | S1454-D1458 PolarHBondContact O-N 3.26Å; M1455-D1458 PolarHBondContact O-N 2.8Å; I1456-D1458 VanDerWaalsContact C-N 3.27Å; I1456-D1458 PolarHBondContact O-N 2.82Å; D1458-F1460 PolarHBondContact O-N 3.35Å; D1458-S1461 WeakPolarHBondContact O-CA 3.48Å; D1458-S1461 WeakPolarHBondContact O-CB 3.37Å; D1458-S1461 PolarHBondContact O-N 2.93Å; D1458-S1461 PolarHBondContact O-OG 3.02Å; D1458-C1462 PolarHBondContact O-N 3.45Å; D1458-C1462 PolarHBondContact O-SG 2.85Å; D1458-C1462 VanDerWaalsContact O-SG 3.42Å |
| 1459 | L | 67.6 | Low | 65.7 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.4 | -36.8 | 173 | -79.7 | 155.8 | 0 | 0 | 0 | 112.8 | V1398 E1399 M1455 I1456 S1461 L1467 A1471 | V1398-L1459 HydrophobicContact CB-CD1 4.18Å; V1398-L1459 HydrophobicContact CG1-CD1 3.5Å; V1398-L1459 HydrophobicContact CG1-CD2 4.18Å; V1398-L1459 HydrophobicContact CG1-CG 4.38Å; E1399-L1459 HydrophobicContact CB-CD2 4.04Å; M1455-L1459 WeakPolarHBondContact O-CB 3.38Å; M1455-L1459 WeakPolarHBondContact O-CD1 3.2Å; M1455-L1459 WeakPolarHBondContact O-CG 2.88Å; M1455-L1459 PolarHBondContact O-N 3.16Å; I1456-L1459 PolarHBondContact O-N 2.95Å; L1459-S1461 VanDerWaalsContact C-N 3.34Å; L1459-L1467 HydrophobicContact CD2-CD2 4.29Å; L1459-A1471 HydrophobicContact CB-CB 3.92Å |
| 1460 | F | 66.8 | Low | 65.8 | Low | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.5 | -24.8 | 178.5 | -164.7 | -114.4 | 0 | 0 | 0 | 112.6 | I1456 D1458 C1462 R1468 L1472 F1529 K1532 L1533 F1536 F1560 | I1456-F1460 WeakPolarHBondContact O-CB 3.3Å; I1456-F1460 PolarHBondContact O-N 2.94Å; D1458-F1460 PolarHBondContact O-N 3.35Å; F1460-C1462 VanDerWaalsContact C-N 3.35Å; F1460-R1468 HydrophobicContact CD2-CB 4.16Å; F1460-R1468 HydrophobicContact CD2-CG 4.36Å; F1460-R1468 HydrophobicContact CE2-CB 4.36Å; F1460-R1468 PolarHBondContact O-NE 3.41Å; F1460-L1472 HydrophobicContact CE2-CD1 4.33Å; F1460-L1472 HydrophobicContact CE2-CD2 4.09Å; F1460-L1472 HydrophobicContact CE2-CG 4.02Å; F1460-F1529 HydrophobicContact CB-CE2 4.01Å; F1460-F1529 AromaticContact CD1-CE2 3.91Å; F1460-F1529 HydrophobicContact CD1-CE2 3.91Å; F1460-F1529 HydrophobicContact CD1-CZ 4.16Å; F1460-F1529 HydrophobicContact CD2-CE2 4.45Å; F1460-F1529 HydrophobicContact CD2-CZ 4.2Å; F1460-F1529 HydrophobicContact CE1-CE2 4.44Å; F1460-F1529 HydrophobicContact CE1-CZ 4.33Å; F1460-F1529 HydrophobicContact CE2-CZ 4.43Å; F1460-F1529 AromaticContact CG-CE2 3.9Å; F1460-F1529 HydrophobicContact CG-CE2 3.9Å; F1460-F1529 HydrophobicContact CG-CZ 4.09Å; F1460-K1532 HydrophobicContact CE1-CB 4.5Å; F1460-L1533 HydrophobicContact CE1-CD2 4Å; F1460-L1533 HydrophobicContact CE2-CD2 4.21Å; F1460-L1533 HydrophobicContact CZ-CD2 3.54Å; F1460-F1536 AromaticContact CD1-CE2 4Å; F1460-F1536 HydrophobicContact CD1-CE2 4Å; F1460-F1536 HydrophobicContact CD1-CZ 4.32Å; F1460-F1536 AromaticContact CE1-CD2 3.86Å; F1460-F1536 HydrophobicContact CE1-CD2 3.86Å; F1460-F1536 AromaticContact CE1-CE2 3.04Å; F1460-F1536 HydrophobicContact CE1-CE2 3.04Å; F1460-F1536 AromaticContact CE1-CZ 3.63Å; F1460-F1536 HydrophobicContact CE1-CZ 3.63Å; F1460-F1536 HydrophobicContact CE2-CE2 4.43Å; F1460-F1536 HydrophobicContact CE2-CZ 4.44Å; F1460-F1536 AromaticContact CZ-CD2 3.85Å; F1460-F1536 HydrophobicContact CZ-CD2 3.85Å; F1460-F1536 AromaticContact CZ-CE2 3.27Å; F1460-F1536 HydrophobicContact CZ-CE2 3.27Å; F1460-F1536 AromaticContact CZ-CZ 3.64Å; F1460-F1536 HydrophobicContact CZ-CZ 3.64Å; F1460-F1560 AromaticContact CE2-CE2 3.97Å; F1460-F1560 HydrophobicContact CE2-CE2 3.97Å; F1460-F1560 AromaticContact CE2-CZ 3.55Å; F1460-F1560 HydrophobicContact CE2-CZ 3.55Å; F1460-F1560 AromaticContact CZ-CZ 3.95Å; F1460-F1560 HydrophobicContact CZ-CZ 3.95Å |
| 1461 | S | 65.7 | Low | 66.3 | Low | 75 Ų | 75 | 46.7 Ų | 46.7 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74 | -23.9 | 175.6 | 76.4 | 0 | 0 | 0 | 0 | 113.2 | L1457 D1458 L1459 | L1457-S1461 WeakPolarHBondContact O-CB 3.23Å; L1457-S1461 PolarHBondContact O-N 3.35Å; L1457-S1461 VanDerWaalsContact O-N 3.12Å; D1458-S1461 WeakPolarHBondContact O-CA 3.48Å; D1458-S1461 WeakPolarHBondContact O-CB 3.37Å; D1458-S1461 PolarHBondContact O-N 2.93Å; D1458-S1461 PolarHBondContact O-OG 3.02Å; L1459-S1461 VanDerWaalsContact C-N 3.34Å |
| 1462 | C | 63.4 | Low | 66.6 | Low | 22 Ų | 22 | 46.5 Ų | 46.5 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -59.1 | 145 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 112 | E1399 D1458 F1460 N1464 L1467 R1468 | E1399-C1462 PolarHBondContact OE1-SG 2.77Å; D1458-C1462 PolarHBondContact O-N 3.45Å; D1458-C1462 PolarHBondContact O-SG 2.85Å; D1458-C1462 VanDerWaalsContact O-SG 3.42Å; F1460-C1462 VanDerWaalsContact C-N 3.35Å; C1462-N1464 VanDerWaalsContact C-N 3.28Å; C1462-N1464 PolarHBondContact O-N 3.14Å; C1462-L1467 HydrophobicContact CB-CD1 3.89Å; C1462-R1468 VanDerWaalsContact O-CZ 3.28Å; C1462-R1468 PolarHBondContact O-NE 2.67Å; C1462-R1468 PolarHBondContact O-NH2 3.22Å; C1462-R1468 VanDerWaalsContact O-NH2 3.08Å |
| 1463 | E | 56.4 | Low | 66.8 | Low | 177 Ų | 177 | 48.5 Ų | 48.5 | 83% | 0.827 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -72.1 | -19.9 | -179.2 | -66.4 | -170.8 | 164.1 | 0 | 0 | 113.7 | R1465 | E1463-R1465 PolarHBondContact O-N 3.22Š|
| 1464 | N | 63.2 | Low | 67.1 | Low | 75 Ų | 75 | 49.5 Ų | 49.5 | 40% | 0.401 | 24% | 0.242 | S | C | . | . | trans | -71 | 118.3 | -174.8 | -170.1 | -22.7 | 0 | 0 | 0 | 112 | C1462 G1466 L1467 R1468 | C1462-N1464 VanDerWaalsContact C-N 3.28Å; C1462-N1464 PolarHBondContact O-N 3.14Å; N1464-G1466 VanDerWaalsContact C-N 3.26Å; N1464-G1466 PolarHBondContact O-N 3.11Å; N1464-G1466 PolarHBondContact OD1-N 3.49Å; N1464-L1467 HydrophobicContact CB-CB 4.32Å; N1464-L1467 HydrophobicContact CB-CD1 3.89Å; N1464-L1467 HydrophobicContact CB-CG 4.02Å; N1464-L1467 PolarHBondContact O-N 3.45Å; N1464-R1468 PolarHBondContact O-N 3.37Å | ||
| 1465 | R | 65.5 | Low | 67.6 | Low | 201 Ų | 201 | 48 Ų | 48 | 76% | 0.758 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.1 | -34 | -179.5 | -65.9 | -175.9 | -175.6 | -173.2 | -0.3 | 113.4 | E1463 R1469 | E1463-R1465 PolarHBondContact O-N 3.22Å; R1465-R1469 PolarHBondContact O-N 2.93Å; R1465-R1469 VanDerWaalsContact O-N 3.13Å |
| 1466 | G | 65.9 | Low | 68 | Low | 23 Ų | 23 | 49.5 Ų | 49.5 | 24% | 0.237 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1464 R1469 K1470 | N1464-G1466 VanDerWaalsContact C-N 3.26Å; N1464-G1466 PolarHBondContact O-N 3.11Å; N1464-G1466 PolarHBondContact OD1-N 3.49Å; G1466-R1469 PolarHBondContact O-N 3.18Å; G1466-K1470 PolarHBondContact O-N 3.47Å |
| 1467 | L | 64.8 | Low | 68.3 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.7 | -67.1 | 178.4 | 0 | 0 | 0 | 111.5 | E1399 V1402 Q1403 L1459 C1462 N1464 R1469 K1470 A1471 | E1399-L1467 HydrophobicContact CG-CD1 3.92Å; V1402-L1467 HydrophobicContact CB-CD2 3.61Å; V1402-L1467 HydrophobicContact CG1-CD2 3.48Å; V1402-L1467 VanDerWaalsContact CG1-CD2 3.48Å; Q1403-L1467 HydrophobicContact CG-CD1 4.29Å; Q1403-L1467 HydrophobicContact CG-CD2 4.19Å; L1459-L1467 HydrophobicContact CD2-CD2 4.29Å; C1462-L1467 HydrophobicContact CB-CD1 3.89Å; N1464-L1467 HydrophobicContact CB-CB 4.32Å; N1464-L1467 HydrophobicContact CB-CD1 3.89Å; N1464-L1467 HydrophobicContact CB-CG 4.02Å; N1464-L1467 PolarHBondContact O-N 3.45Å; L1467-R1469 VanDerWaalsContact C-N 3.28Å; L1467-R1469 PolarHBondContact O-N 3.01Å; L1467-K1470 PolarHBondContact O-N 2.98Å; L1467-A1471 WeakPolarHBondContact O-CB 3.45Å; L1467-A1471 PolarHBondContact O-N 3.49Å |
| 1468 | R | 68.3 | Low | 68.5 | Low | 57 Ų | 57 | 55.2 Ų | 55.2 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 177.5 | -62.6 | -174.6 | 179.7 | 165.1 | -0.4 | 112.1 | F1460 C1462 N1464 L1472 F1560 | F1460-R1468 HydrophobicContact CD2-CB 4.16Å; F1460-R1468 HydrophobicContact CD2-CG 4.36Å; F1460-R1468 HydrophobicContact CE2-CB 4.36Å; F1460-R1468 PolarHBondContact O-NE 3.41Å; C1462-R1468 VanDerWaalsContact O-CZ 3.28Å; C1462-R1468 PolarHBondContact O-NE 2.67Å; C1462-R1468 PolarHBondContact O-NH2 3.22Å; C1462-R1468 VanDerWaalsContact O-NH2 3.08Å; N1464-R1468 PolarHBondContact O-N 3.37Å; R1468-L1472 WeakPolarHBondContact O-CG 3.47Å; R1468-L1472 PolarHBondContact O-N 3.21Å; R1468-F1560 HydrophobicContact CB-CD2 4.39Å; R1468-F1560 HydrophobicContact CB-CE2 3.47Å; R1468-F1560 VanDerWaalsContact CB-CE2 3.47Å; R1468-F1560 HydrophobicContact CB-CZ 3.94Å |
| 1469 | R | 67 | Low | 68.9 | Low | 132 Ų | 132 | 52.4 Ų | 52.4 | 50% | 0.498 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 176.8 | -172.3 | 174.3 | -176.8 | 148.7 | -0.9 | 111.7 | R1465 G1466 L1467 A1471 L1472 D1473 | R1465-R1469 PolarHBondContact O-N 2.93Å; R1465-R1469 VanDerWaalsContact O-N 3.13Å; G1466-R1469 PolarHBondContact O-N 3.18Å; L1467-R1469 VanDerWaalsContact C-N 3.28Å; L1467-R1469 PolarHBondContact O-N 3.01Å; R1469-A1471 VanDerWaalsContact C-N 3.34Å; R1469-A1471 PolarHBondContact O-N 3.05Å; R1469-L1472 WeakPolarHBondContact O-CB 3.18Å; R1469-L1472 PolarHBondContact O-N 3.24Å; R1469-D1473 PolarHBondContact O-N 3.46Å |
| 1470 | K | 67.7 | Low | 69.2 | Low | 65 Ų | 65 | 56.1 Ų | 56.1 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 178.1 | -164.3 | 65.6 | 177.6 | 177.7 | 0 | 112.2 | V1402 G1466 L1467 L1472 D1473 L1474 | V1402-K1470 HydrophobicContact CG1-CB 4.05Å; V1402-K1470 HydrophobicContact CG1-CG 4.1Å; V1402-K1470 HydrophobicContact CG2-CG 4.32Å; G1466-K1470 PolarHBondContact O-N 3.47Å; L1467-K1470 PolarHBondContact O-N 2.98Å; K1470-L1472 VanDerWaalsContact C-N 3.3Å; K1470-L1472 PolarHBondContact O-N 3.37Å; K1470-D1473 HydrophobicContact CD-CB 4.43Å; K1470-D1473 WeakPolarHBondContact O-CB 3.26Å; K1470-D1473 PolarHBondContact O-N 3.26Å; K1470-D1473 VanDerWaalsContact O-N 3.17Å; K1470-L1474 WeakPolarHBondContact O-CG 3.46Å; K1470-L1474 PolarHBondContact O-N 3.09Å |
| 1471 | A | 72.6 | Confident | 69.5 | Low | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1456 L1459 L1467 R1469 L1475 | I1456-A1471 HydrophobicContact CG2-CB 4.41Å; L1459-A1471 HydrophobicContact CB-CB 3.92Å; L1467-A1471 WeakPolarHBondContact O-CB 3.45Å; L1467-A1471 PolarHBondContact O-N 3.49Å; R1469-A1471 VanDerWaalsContact C-N 3.34Å; R1469-A1471 PolarHBondContact O-N 3.05Å; A1471-L1475 WeakPolarHBondContact O-CB 3.28Å; A1471-L1475 PolarHBondContact O-N 2.95Å |
| 1472 | L | 72.2 | Confident | 69.8 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 172.6 | -74.1 | 175.6 | 0 | 0 | 0 | 113 | F1460 R1468 R1469 K1470 L1475 S1476 F1529 L1533 F1560 Q1563 C1564 | F1460-L1472 HydrophobicContact CE2-CD1 4.33Å; F1460-L1472 HydrophobicContact CE2-CD2 4.09Å; F1460-L1472 HydrophobicContact CE2-CG 4.02Å; R1468-L1472 WeakPolarHBondContact O-CG 3.47Å; R1468-L1472 PolarHBondContact O-N 3.21Å; R1469-L1472 WeakPolarHBondContact O-CB 3.18Å; R1469-L1472 PolarHBondContact O-N 3.24Å; K1470-L1472 VanDerWaalsContact C-N 3.3Å; K1470-L1472 PolarHBondContact O-N 3.37Å; L1472-L1475 PolarHBondContact O-N 3.48Å; L1472-S1476 WeakPolarHBondContact O-CB 3.49Å; L1472-S1476 PolarHBondContact O-N 2.82Å; L1472-S1476 PolarHBondContact O-OG 2.81Å; L1472-F1529 HydrophobicContact CD2-CE1 4.4Å; L1472-F1529 HydrophobicContact CD2-CZ 4.31Å; L1472-L1533 HydrophobicContact CD2-CD2 3.85Å; L1472-F1560 HydrophobicContact CD1-CD2 3.48Å; L1472-F1560 VanDerWaalsContact CD1-CD2 3.48Å; L1472-F1560 HydrophobicContact CD1-CE2 3.2Å; L1472-F1560 HydrophobicContact CD1-CG 4.28Å; L1472-F1560 HydrophobicContact CD1-CZ 3.85Å; L1472-F1560 HydrophobicContact CG-CE2 4.11Å; L1472-Q1563 VanDerWaalsContact C-NE2 3.32Å; L1472-Q1563 HydrophobicContact CB-CG 3.96Å; L1472-Q1563 HydrophobicContact CD1-CB 4.31Å; L1472-Q1563 HydrophobicContact CD1-CG 4.32Å; L1472-C1564 WeakPolarHBondContact CD1-SG 3.29Å |
| 1473 | D | 73.1 | Confident | 70.2 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 31% | 0.305 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 175.6 | -69.1 | -35.1 | 0 | 0 | 0 | 110.2 | R1469 K1470 S1476 A1477 Q1563 | R1469-D1473 PolarHBondContact O-N 3.46Å; K1470-D1473 HydrophobicContact CD-CB 4.43Å; K1470-D1473 WeakPolarHBondContact O-CB 3.26Å; K1470-D1473 PolarHBondContact O-N 3.26Å; K1470-D1473 VanDerWaalsContact O-N 3.17Å; D1473-S1476 WeakPolarHBondContact CA-OG 3.38Å; D1473-S1476 PolarHBondContact O-N 2.99Å; D1473-S1476 PolarHBondContact O-OG 3.14Å; D1473-A1477 PolarHBondContact O-N 3.4Å; D1473-Q1563 VanDerWaalsContact CA-NE2 3.27Å; D1473-Q1563 VanDerWaalsContact N-NE2 3.14Å; D1473-Q1563 PolarHBondContact OD1-NE2 3.32Å |
| 1474 | L | 73.3 | Confident | 71 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 179 | -66.9 | 177.4 | 0 | 0 | 0 | 112.4 | L1440 L1444 I1456 K1470 S1476 A1477 K1478 | L1440-L1474 HydrophobicContact CD1-CD1 4.48Å; L1440-L1474 HydrophobicContact CD2-CD1 4.34Å; L1440-L1474 HydrophobicContact CD2-CD2 4.43Å; L1444-L1474 HydrophobicContact CD1-CD1 3.87Å; L1444-L1474 HydrophobicContact CD1-CD2 3.45Å; L1444-L1474 VanDerWaalsContact CD1-CD2 3.45Å; L1444-L1474 HydrophobicContact CD1-CG 4.21Å; L1444-L1474 HydrophobicContact CD2-CD1 4.39Å; I1456-L1474 HydrophobicContact CD1-CB 4.43Å; K1470-L1474 WeakPolarHBondContact O-CG 3.46Å; K1470-L1474 PolarHBondContact O-N 3.09Å; L1474-S1476 VanDerWaalsContact C-N 3.32Å; L1474-A1477 PolarHBondContact O-N 3.43Å; L1474-K1478 PolarHBondContact O-N 3.46Å; L1474-K1478 VanDerWaalsContact O-N 3.09Å |
| 1475 | L | 75.5 | Confident | 71.3 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 173.4 | -173.2 | 100.6 | 0 | 0 | 0 | 110.5 | I1456 A1471 L1472 A1477 K1478 L1479 F1529 C1567 | I1456-L1475 HydrophobicContact CD1-CB 4.1Å; I1456-L1475 HydrophobicContact CD1-CD1 4.2Å; I1456-L1475 HydrophobicContact CG2-CB 4.46Å; I1456-L1475 HydrophobicContact CG2-CD1 4.06Å; A1471-L1475 WeakPolarHBondContact O-CB 3.28Å; A1471-L1475 PolarHBondContact O-N 2.95Å; L1472-L1475 PolarHBondContact O-N 3.48Å; L1475-A1477 PolarHBondContact O-N 3.14Å; L1475-K1478 PolarHBondContact O-N 3.09Å; L1475-L1479 HydrophobicContact CD2-CD1 3.55Å; L1475-L1479 HydrophobicContact CD2-CG 4.5Å; L1475-L1479 HydrophobicContact CG-CD1 3.77Å; L1475-L1479 HydrophobicContact CG-CG 4.2Å; L1475-L1479 WeakPolarHBondContact O-CB 3.26Å; L1475-L1479 VanDerWaalsContact O-CG 3.26Å; L1475-L1479 WeakPolarHBondContact O-CG 3.37Å; L1475-L1479 PolarHBondContact O-N 3.46Å; L1475-F1529 HydrophobicContact CD1-CD1 4.02Å; L1475-F1529 HydrophobicContact CD1-CE1 3.91Å; L1475-F1529 HydrophobicContact CD1-CG 4.42Å; L1475-F1529 HydrophobicContact CD1-CZ 4.26Å; L1475-F1529 HydrophobicContact CD2-CD1 3.93Å; L1475-F1529 HydrophobicContact CD2-CE1 3.36Å; L1475-F1529 HydrophobicContact CD2-CZ 4.11Å; L1475-F1529 HydrophobicContact CG-CE1 4.22Å; L1475-C1567 HydrophobicContact CD2-CB 3.85Å |
| 1476 | S | 75.7 | Confident | 71.4 | Confident | 37 Ų | 37 | 47 Ų | 47 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | -179.3 | 74.2 | 0 | 0 | 0 | 0 | 111.3 | L1472 D1473 L1474 K1478 L1479 T1480 | L1472-S1476 WeakPolarHBondContact O-CB 3.49Å; L1472-S1476 PolarHBondContact O-N 2.82Å; L1472-S1476 PolarHBondContact O-OG 2.81Å; D1473-S1476 WeakPolarHBondContact CA-OG 3.38Å; D1473-S1476 PolarHBondContact O-N 2.99Å; D1473-S1476 PolarHBondContact O-OG 3.14Å; L1474-S1476 VanDerWaalsContact C-N 3.32Å; S1476-K1478 PolarHBondContact O-N 2.97Å; S1476-L1479 PolarHBondContact O-N 3.25Å; S1476-T1480 WeakPolarHBondContact O-CG2 3.35Å; S1476-T1480 PolarHBondContact O-N 2.97Å; S1476-T1480 PolarHBondContact O-OG1 3.34Å; S1476-T1480 VanDerWaalsContact O-OG1 3.05Å |
| 1477 | A | 75.1 | Confident | 71.2 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1473 L1474 L1475 T1480 S1481 | D1473-A1477 PolarHBondContact O-N 3.4Å; L1474-A1477 PolarHBondContact O-N 3.43Å; L1475-A1477 PolarHBondContact O-N 3.14Å; A1477-T1480 VanDerWaalsContact C-OG1 3.29Å; A1477-T1480 VanDerWaalsContact CA-OG1 3.29Å; A1477-T1480 WeakPolarHBondContact CA-OG1 3.08Å; A1477-T1480 PolarHBondContact O-N 2.91Å; A1477-T1480 PolarHBondContact O-OG1 3.41Å; A1477-S1481 PolarHBondContact O-N 3.17Å; A1477-S1481 VanDerWaalsContact O-N 3.11Å |
| 1478 | K | 72.9 | Confident | 70.8 | Confident | 80 Ų | 80 | 56.9 Ų | 56.9 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.6 | -165.8 | 68.8 | 171.6 | -170.9 | 0 | 112.1 | F1452 L1474 L1475 S1476 S1481 L1482 | F1452-K1478 HydrophobicContact CE1-CB 3.85Å; F1452-K1478 HydrophobicContact CE1-CG 3.69Å; F1452-K1478 HydrophobicContact CZ-CB 3.73Å; F1452-K1478 HydrophobicContact CZ-CG 3.98Å; L1474-K1478 PolarHBondContact O-N 3.46Å; L1474-K1478 VanDerWaalsContact O-N 3.09Å; L1475-K1478 PolarHBondContact O-N 3.09Å; S1476-K1478 PolarHBondContact O-N 2.97Å; K1478-S1481 PolarHBondContact O-N 2.97Å; K1478-S1481 PolarHBondContact O-OG 3.49Å; K1478-L1482 HydrophobicContact CG-CD1 4.21Å; K1478-L1482 VanDerWaalsContact O-CG 3.24Å; K1478-L1482 WeakPolarHBondContact O-CG 3.49Å; K1478-L1482 PolarHBondContact O-N 3.24Å |
| 1479 | L | 74.4 | Confident | 70.3 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 175.7 | -72 | 173.8 | 0 | 0 | 0 | 111.3 | L1475 S1476 L1482 T1483 C1567 L1571 L1574 | L1475-L1479 HydrophobicContact CD2-CD1 3.55Å; L1475-L1479 HydrophobicContact CD2-CG 4.5Å; L1475-L1479 HydrophobicContact CG-CD1 3.77Å; L1475-L1479 HydrophobicContact CG-CG 4.2Å; L1475-L1479 WeakPolarHBondContact O-CB 3.26Å; L1475-L1479 VanDerWaalsContact O-CG 3.26Å; L1475-L1479 WeakPolarHBondContact O-CG 3.37Å; L1475-L1479 PolarHBondContact O-N 3.46Å; S1476-L1479 PolarHBondContact O-N 3.25Å; L1479-L1482 PolarHBondContact O-N 2.77Å; L1479-T1483 VanDerWaalsContact O-CB 3.28Å; L1479-T1483 WeakPolarHBondContact O-CB 3.4Å; L1479-T1483 VanDerWaalsContact O-CG2 3.26Å; L1479-T1483 WeakPolarHBondContact O-CG2 3.45Å; L1479-T1483 PolarHBondContact O-N 3.2Å; L1479-T1483 PolarHBondContact O-OG1 3.45Å; L1479-C1567 HydrophobicContact CD1-CB 4.24Å; L1479-L1571 HydrophobicContact CD1-CD1 4.4Å; L1479-L1571 HydrophobicContact CD1-CD2 4.12Å; L1479-L1571 HydrophobicContact CD1-CG 3.84Å; L1479-L1571 HydrophobicContact CD2-CD2 3.75Å; L1479-L1571 HydrophobicContact CD2-CG 4.23Å; L1479-L1574 HydrophobicContact CD2-CD1 3.83Å |
| 1480 | T | 73.5 | Confident | 69.5 | Low | 84 Ų | 84 | 51.8 Ų | 51.8 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 175.1 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | S1476 A1477 T1483 A1484 | S1476-T1480 WeakPolarHBondContact O-CG2 3.35Å; S1476-T1480 PolarHBondContact O-N 2.97Å; S1476-T1480 PolarHBondContact O-OG1 3.34Å; S1476-T1480 VanDerWaalsContact O-OG1 3.05Å; A1477-T1480 VanDerWaalsContact C-OG1 3.29Å; A1477-T1480 VanDerWaalsContact CA-OG1 3.29Å; A1477-T1480 WeakPolarHBondContact CA-OG1 3.08Å; A1477-T1480 PolarHBondContact O-N 2.91Å; A1477-T1480 PolarHBondContact O-OG1 3.41Å; T1480-T1483 PolarHBondContact O-N 3.19Å; T1480-T1483 PolarHBondContact O-OG1 3.06Å; T1480-A1484 WeakPolarHBondContact O-CB 3.26Å; T1480-A1484 PolarHBondContact O-N 3.44Å |
| 1481 | S | 73.7 | Confident | 68.6 | Low | 71 Ų | 71 | 51.1 Ų | 51.1 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 176 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | A1477 K1478 T1483 | A1477-S1481 PolarHBondContact O-N 3.17Å; A1477-S1481 VanDerWaalsContact O-N 3.11Å; K1478-S1481 PolarHBondContact O-N 2.97Å; K1478-S1481 PolarHBondContact O-OG 3.49Å; S1481-T1483 VanDerWaalsContact C-N 3.35Å |
| 1482 | L | 71.6 | Confident | 67.1 | Low | 37 Ų | 37 | 55.4 Ų | 55.4 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.1 | -31.8 | 175.5 | -67.9 | 168.1 | 0 | 0 | 0 | 113 | K1478 L1479 L1518 M1522 L1574 | K1478-L1482 HydrophobicContact CG-CD1 4.21Å; K1478-L1482 VanDerWaalsContact O-CG 3.24Å; K1478-L1482 WeakPolarHBondContact O-CG 3.49Å; K1478-L1482 PolarHBondContact O-N 3.24Å; L1479-L1482 PolarHBondContact O-N 2.77Å; L1482-L1518 HydrophobicContact CD1-CD2 4.45Å; L1482-M1522 HydrophobicContact CD1-CE 3.5Å; L1482-L1574 HydrophobicContact CB-CD1 4.1Å; L1482-L1574 HydrophobicContact CD1-CD1 4.38Å |
| 1483 | T | 72.7 | Confident | 65.8 | Low | 17 Ų | 17 | 57.6 Ų | 57.6 | 10% | 0.104 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -91.2 | -6.9 | -179.3 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | L1479 T1480 S1481 N1485 V1486 K1573 L1574 | L1479-T1483 VanDerWaalsContact O-CB 3.28Å; L1479-T1483 WeakPolarHBondContact O-CB 3.4Å; L1479-T1483 VanDerWaalsContact O-CG2 3.26Å; L1479-T1483 WeakPolarHBondContact O-CG2 3.45Å; L1479-T1483 PolarHBondContact O-N 3.2Å; L1479-T1483 PolarHBondContact O-OG1 3.45Å; T1480-T1483 PolarHBondContact O-N 3.19Å; T1480-T1483 PolarHBondContact O-OG1 3.06Å; S1481-T1483 VanDerWaalsContact C-N 3.35Å; T1483-N1485 PolarHBondContact O-N 2.97Å; T1483-V1486 WeakPolarHBondContact O-CB 3.39Å; T1483-V1486 PolarHBondContact O-N 3.37Å; T1483-K1573 HydrophobicContact CG2-CB 4.08Å; T1483-K1573 HydrophobicContact CG2-CD 4.36Å; T1483-L1574 HydrophobicContact CG2-CD1 4.12Å; T1483-L1574 HydrophobicContact CG2-CD2 3.94Å; T1483-L1574 HydrophobicContact CG2-CG 3.86Å |
| 1484 | A | 73.3 | Confident | 64.4 | Low | 76 Ų | 76 | 59.1 Ų | 59.1 | 63% | 0.628 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1480 | T1480-A1484 WeakPolarHBondContact O-CB 3.26Å; T1480-A1484 PolarHBondContact O-N 3.44Å |
| 1485 | N | 68.1 | Low | 63 | Low | 148 Ų | 148 | 60.7 Ų | 60.7 | 79% | 0.791 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.7 | -179.2 | -65.2 | -10.7 | 0 | 0 | 0 | 113.7 | T1483 Q1487 | T1483-N1485 PolarHBondContact O-N 2.97Å; N1485-Q1487 PolarHBondContact O-N 3.02Å; N1485-Q1487 VanDerWaalsContact O-N 3.16Å |
| 1486 | V | 67.7 | Low | 61.5 | Low | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.067 | 39% | 0.385 | C | S | . | . | trans | -81.2 | 102.1 | -177.6 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | T1483 V1516 K1573 L1574 | T1483-V1486 WeakPolarHBondContact O-CB 3.39Å; T1483-V1486 PolarHBondContact O-N 3.37Å; V1486-V1516 HydrophobicContact CG2-CG2 3.66Å; V1486-K1573 HydrophobicContact CG1-CB 4.48Å; V1486-L1574 HydrophobicContact CG2-CD2 4.15Å | ||
| 1487 | Q | 61.3 | Low | 60.2 | Low | 125 Ų | 125 | 72.4 Ų | 72.4 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 134.2 | 178.6 | -66.9 | -172.3 | -11.7 | 0 | 0 | 110.3 | N1485 V1489 N1514 | N1485-Q1487 PolarHBondContact O-N 3.02Å; N1485-Q1487 VanDerWaalsContact O-N 3.16Å; Q1487-V1489 PolarHBondContact O-N 3.49Å; Q1487-N1514 PolarHBondContact O-ND2 3.01Å |
| 1488 | P | 57.1 | Low | 58.5 | Low | 107 Ų | 107 | 73.2 Ų | 73.2 | 70% | 0.695 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 131 | 173.5 | 25.6 | -31.7 | 0 | 0 | 0 | 108.7 | P1490 | P1488-P1490 WeakPolarHBondContact O-CD 3.43Š|
| 1489 | V | 58.3 | Low | 57.5 | Low | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.097 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 120.1 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 106.4 | Q1487 I1491 | Q1487-V1489 PolarHBondContact O-N 3.49Å; V1489-I1491 PolarHBondContact O-N 3.33Å; V1489-I1491 VanDerWaalsContact O-N 3.15Å |
| 1490 | P | 49.2 | Very low | 56.4 | Low | 66 Ų | 66 | 77.6 Ų | 77.6 | 43% | 0.429 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 123.3 | -175.7 | 18.9 | -28.6 | 0 | 0 | 0 | 110.2 | P1488 L1492 I1493 | P1488-P1490 WeakPolarHBondContact O-CD 3.43Å; P1490-L1492 PolarHBondContact O-N 3.04Å; P1490-I1493 HydrophobicContact CG-CG1 4.38Å |
| 1491 | I | 48.6 | Very low | 55.5 | Low | 52 Ų | 52 | 81.4 Ų | 81.4 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -64.1 | -29.8 | -177.1 | -72.2 | 166.5 | 0 | 0 | 0 | 111.2 | V1489 L1721 | V1489-I1491 PolarHBondContact O-N 3.33Å; V1489-I1491 VanDerWaalsContact O-N 3.15Å; I1491-L1721 HydrophobicContact CB-CD2 4.19Å; I1491-L1721 HydrophobicContact CG2-CD1 3.87Å; I1491-L1721 HydrophobicContact CG2-CD2 3.31Å; I1491-L1721 HydrophobicContact CG2-CG 4.13Å; I1491-L1721 WeakPolarHBondContact O-CD1 3.46Å |
| 1492 | L | 42.4 | Very low | 54.6 | Low | 92 Ų | 92 | 80.2 Ų | 80.2 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | trans | -127.8 | 94.6 | -172.7 | -66.6 | 161.6 | 0 | 0 | 0 | 108.6 | P1490 L1721 | P1490-L1492 PolarHBondContact O-N 3.04Å; L1492-L1721 HydrophobicContact CD2-CD1 3.94Å | ||
| 1493 | I | 44.3 | Very low | 53.9 | Low | 46 Ų | 46 | 80 Ų | 80 | 24% | 0.236 | 43% | 0.426 | C | S | . | . | trans | -93.4 | 136.7 | 160.6 | -61 | 174.6 | 0 | 0 | 0 | 105.5 | P1490 F1495 M1498 F1503 | P1490-I1493 HydrophobicContact CG-CG1 4.38Å; I1493-F1495 HydrophobicContact CB-CE1 4.43Å; I1493-F1495 HydrophobicContact CB-CE2 4.21Å; I1493-F1495 HydrophobicContact CB-CZ 4.13Å; I1493-F1495 WeakPolarHBondContact O-CD2 3.46Å; I1493-F1495 WeakPolarHBondContact O-CE2 3.18Å; I1493-F1495 WeakPolarHBondContact O-CG 3.42Å; I1493-F1495 PolarHBondContact O-N 3.49Å; I1493-M1498 HydrophobicContact CG2-SD 4.06Å; I1493-F1503 HydrophobicContact CD1-CE2 4.37Å | ||
| 1494 | D | 42.8 | Very low | 53.2 | Low | 89 Ų | 89 | 81.7 Ų | 81.7 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | trans | -68 | 83.2 | 179.1 | -147.5 | 11.2 | 0 | 0 | 0 | 108.8 | T1496 K1497 | D1494-T1496 PolarHBondContact O-N 2.91Å; D1494-K1497 PolarHBondContact O-N 3.23Å; D1494-K1497 VanDerWaalsContact O-N 3.17Å | ||
| 1495 | F | 44.5 | Very low | 52.6 | Low | 60 Ų | 60 | 85.3 Ų | 85.3 | 26% | 0.263 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -68.4 | -15.2 | -166.7 | -76 | -76.9 | 0 | 0 | 0 | 113.7 | I1493 K1497 M1498 F1503 L1728 | I1493-F1495 HydrophobicContact CB-CE1 4.43Å; I1493-F1495 HydrophobicContact CB-CE2 4.21Å; I1493-F1495 HydrophobicContact CB-CZ 4.13Å; I1493-F1495 WeakPolarHBondContact O-CD2 3.46Å; I1493-F1495 WeakPolarHBondContact O-CE2 3.18Å; I1493-F1495 WeakPolarHBondContact O-CG 3.42Å; I1493-F1495 PolarHBondContact O-N 3.49Å; F1495-K1497 PolarHBondContact O-N 3.03Å; F1495-K1497 VanDerWaalsContact O-N 3.15Å; F1495-M1498 PolarHBondContact O-N 3.39Å; F1495-F1503 HydrophobicContact CD1-CD2 4.41Å; F1495-F1503 AromaticContact CE1-CD2 3.51Å; F1495-F1503 HydrophobicContact CE1-CD2 3.51Å; F1495-F1503 AromaticContact CE1-CE2 3.42Å; F1495-F1503 HydrophobicContact CE1-CE2 3.42Å; F1495-F1503 VanDerWaalsContact CE1-CE2 3.42Å; F1495-F1503 HydrophobicContact CE1-CG 4.14Å; F1495-F1503 AromaticContact CE1-CZ 4Å; F1495-F1503 HydrophobicContact CE1-CZ 4Å; F1495-F1503 HydrophobicContact CZ-CD2 4.28Å; F1495-F1503 AromaticContact CZ-CE2 3.76Å; F1495-F1503 HydrophobicContact CZ-CE2 3.76Å; F1495-F1503 HydrophobicContact CZ-CZ 4.22Å; F1495-L1728 HydrophobicContact CB-CD1 3.95Å; F1495-L1728 HydrophobicContact CB-CD2 4.2Å; F1495-L1728 HydrophobicContact CD1-CD1 4.33Å; F1495-L1728 HydrophobicContact CD2-CD1 3.4Å; F1495-L1728 HydrophobicContact CE2-CD1 3.93Å; F1495-L1728 HydrophobicContact CG-CD1 3.65Å |
| 1496 | T | 45.3 | Very low | 52.2 | Low | 113 Ų | 113 | 79.5 Ų | 79.5 | 69% | 0.693 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -58.4 | -23 | 171.8 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | D1494 | D1494-T1496 PolarHBondContact O-N 2.91Š|
| 1497 | K | 47.8 | Very low | 51.8 | Low | 173 Ų | 173 | 80 Ų | 80 | 75% | 0.752 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -103.3 | -6.8 | -177.6 | -66.8 | -179.5 | -179.4 | 170.6 | 0 | 115.1 | D1494 F1495 | D1494-K1497 PolarHBondContact O-N 3.23Å; D1494-K1497 VanDerWaalsContact O-N 3.17Å; F1495-K1497 PolarHBondContact O-N 3.03Å; F1495-K1497 VanDerWaalsContact O-N 3.15Å |
| 1498 | M | 40.2 | Very low | 52 | Low | 72 Ų | 72 | 80.3 Ų | 80.3 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | trans | -111.6 | 115 | -173.5 | -92.5 | -161.3 | 163.1 | 0 | 0 | 113 | I1493 F1495 F1503 | I1493-M1498 HydrophobicContact CG2-SD 4.06Å; F1495-M1498 PolarHBondContact O-N 3.39Å; M1498-F1503 HydrophobicContact SD-CB 4.45Å | ||
| 1499 | N | 51.6 | Low | 52.4 | Low | 120 Ų | 120 | 81.4 Ų | 81.4 | 64% | 0.642 | 40% | 0.403 | S | S | * | . | trans | -63.8 | 135.9 | 168.4 | -158.7 | -24.6 | 0 | 0 | 0 | 109.7 | K1501 S1502 F1503 | N1499-K1501 PolarHBondContact O-N 3.29Å; N1499-S1502 PolarHBondContact N-OG 3.19Å; N1499-S1502 VanDerWaalsContact O-CA 3.31Å; N1499-S1502 WeakPolarHBondContact O-CA 3.44Å; N1499-S1502 VanDerWaalsContact O-CB 3.24Å; N1499-S1502 WeakPolarHBondContact O-CB 3.34Å; N1499-S1502 PolarHBondContact O-N 3.35Å; N1499-S1502 PolarHBondContact O-OG 3.18Å; N1499-F1503 PolarHBondContact O-N 3.15Å; N1499-F1503 VanDerWaalsContact O-N 3.1Å | ||
| 1500 | Y | 50.3 | Low | 52.4 | Low | 55 Ų | 55 | 83.3 Ų | 83.3 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -55.3 | -35.2 | -169.2 | 176.6 | -110 | 0 | 0 | 0 | 114.5 | S1502 F1503 L1504 S1732 | Y1500-S1502 VanDerWaalsContact C-N 3.27Å; Y1500-S1502 PolarHBondContact O-N 3.22Å; Y1500-F1503 HydrophobicContact CD2-CD1 4.45Å; Y1500-F1503 WeakPolarHBondContact O-CB 3.47Å; Y1500-F1503 PolarHBondContact O-N 3.17Å; Y1500-L1504 HydrophobicContact CD1-CD1 3.77Å; Y1500-L1504 HydrophobicContact CD1-CG 4.17Å; Y1500-L1504 HydrophobicContact CE1-CD1 3.34Å; Y1500-L1504 HydrophobicContact CE1-CD2 4.39Å; Y1500-L1504 HydrophobicContact CE1-CG 3.88Å; Y1500-L1504 HydrophobicContact CE2-CD2 4.41Å; Y1500-L1504 HydrophobicContact CE2-CG 4.33Å; Y1500-L1504 WeakPolarHBondContact O-CG 3.35Å; Y1500-L1504 PolarHBondContact O-N 2.88Å; Y1500-S1732 VanDerWaalsContact CD2-OG 3.27Å; Y1500-S1732 WeakPolarHBondContact CD2-OG 2.85Å; Y1500-S1732 WeakPolarHBondContact CE2-OG 3.43Å |
| 1501 | K | 54.5 | Low | 53.1 | Low | 164 Ų | 164 | 80.9 Ų | 80.9 | 71% | 0.713 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.9 | -37.6 | 173.2 | -74.8 | 178.8 | -178.5 | 167.4 | 0 | 112.2 | N1499 K1505 | N1499-K1501 PolarHBondContact O-N 3.29Å; K1501-K1505 WeakPolarHBondContact O-CG 3.36Å; K1501-K1505 PolarHBondContact O-N 3.2Å; K1501-K1505 VanDerWaalsContact O-N 3.12Å |
| 1502 | S | 56 | Low | 53.7 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 175.3 | 79.4 | 0 | 0 | 0 | 0 | 111.3 | N1499 Y1500 K1505 S1506 | N1499-S1502 PolarHBondContact N-OG 3.19Å; N1499-S1502 VanDerWaalsContact O-CA 3.31Å; N1499-S1502 WeakPolarHBondContact O-CA 3.44Å; N1499-S1502 VanDerWaalsContact O-CB 3.24Å; N1499-S1502 WeakPolarHBondContact O-CB 3.34Å; N1499-S1502 PolarHBondContact O-N 3.35Å; N1499-S1502 PolarHBondContact O-OG 3.18Å; Y1500-S1502 VanDerWaalsContact C-N 3.27Å; Y1500-S1502 PolarHBondContact O-N 3.22Å; S1502-K1505 PolarHBondContact O-N 3.48Å; S1502-S1506 WeakPolarHBondContact O-CB 3.2Å; S1502-S1506 PolarHBondContact O-N 3.12Å; S1502-S1506 PolarHBondContact O-OG 3.08Å |
| 1503 | F | 56.3 | Low | 54.5 | Low | 33 Ų | 33 | 87.1 Ų | 87.1 | 15% | 0.145 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 173.1 | 174.5 | -106.4 | 0 | 0 | 0 | 112 | I1493 F1495 M1498 N1499 Y1500 K1505 S1506 H1507 | I1493-F1503 HydrophobicContact CD1-CE2 4.37Å; F1495-F1503 HydrophobicContact CD1-CD2 4.41Å; F1495-F1503 AromaticContact CE1-CD2 3.51Å; F1495-F1503 HydrophobicContact CE1-CD2 3.51Å; F1495-F1503 AromaticContact CE1-CE2 3.42Å; F1495-F1503 HydrophobicContact CE1-CE2 3.42Å; F1495-F1503 VanDerWaalsContact CE1-CE2 3.42Å; F1495-F1503 HydrophobicContact CE1-CG 4.14Å; F1495-F1503 AromaticContact CE1-CZ 4Å; F1495-F1503 HydrophobicContact CE1-CZ 4Å; F1495-F1503 HydrophobicContact CZ-CD2 4.28Å; F1495-F1503 AromaticContact CZ-CE2 3.76Å; F1495-F1503 HydrophobicContact CZ-CE2 3.76Å; F1495-F1503 HydrophobicContact CZ-CZ 4.22Å; M1498-F1503 HydrophobicContact SD-CB 4.45Å; N1499-F1503 PolarHBondContact O-N 3.15Å; N1499-F1503 VanDerWaalsContact O-N 3.1Å; Y1500-F1503 HydrophobicContact CD2-CD1 4.45Å; Y1500-F1503 WeakPolarHBondContact O-CB 3.47Å; Y1500-F1503 PolarHBondContact O-N 3.17Å; F1503-K1505 VanDerWaalsContact C-N 3.31Å; F1503-K1505 PolarHBondContact O-N 3.03Å; F1503-S1506 WeakPolarHBondContact CA-OG 3.5Å; F1503-S1506 PolarHBondContact O-N 3.06Å; F1503-S1506 PolarHBondContact O-OG 3.39Å; F1503-S1506 VanDerWaalsContact O-OG 3.05Å; F1503-H1507 HydrophobicContact CE1-CB 4.47Å; F1503-H1507 AromaticContact CE1-CD2 3.78Å; F1503-H1507 HydrophobicContact CE2-CB 4.26Å; F1503-H1507 HydrophobicContact CZ-CB 4.25Å; F1503-H1507 AromaticContact CZ-CD2 3.43Å; F1503-H1507 VanDerWaalsContact CZ-CD2 3.43Å; F1503-H1507 WeakPolarHBondContact CZ-CD2 3.48Å; F1503-H1507 WeakPolarHBondContact O-CA 3.46Å; F1503-H1507 WeakPolarHBondContact O-CB 3.23Å; F1503-H1507 PolarHBondContact O-N 3.36Å |
| 1504 | L | 57.6 | Low | 55.1 | Low | 52 Ų | 52 | 86.4 Ų | 86.4 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.6 | -75.1 | 177.7 | 0 | 0 | 0 | 111.9 | Y1500 K1508 P1652 | Y1500-L1504 HydrophobicContact CD1-CD1 3.77Å; Y1500-L1504 HydrophobicContact CD1-CG 4.17Å; Y1500-L1504 HydrophobicContact CE1-CD1 3.34Å; Y1500-L1504 HydrophobicContact CE1-CD2 4.39Å; Y1500-L1504 HydrophobicContact CE1-CG 3.88Å; Y1500-L1504 HydrophobicContact CE2-CD2 4.41Å; Y1500-L1504 HydrophobicContact CE2-CG 4.33Å; Y1500-L1504 WeakPolarHBondContact O-CG 3.35Å; Y1500-L1504 PolarHBondContact O-N 2.88Å; L1504-K1508 WeakPolarHBondContact O-CB 3.49Å; L1504-K1508 PolarHBondContact O-N 2.89Å; L1504-P1652 HydrophobicContact CD2-CB 3.45Å; L1504-P1652 VanDerWaalsContact CD2-CB 3.45Å; L1504-P1652 HydrophobicContact CD2-CG 3.41Å; L1504-P1652 VanDerWaalsContact CD2-CG 3.41Å |
| 1505 | K | 60.7 | Low | 55.9 | Low | 152 Ų | 152 | 85.6 Ų | 85.6 | 66% | 0.661 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.7 | -49.1 | 175.3 | -77.2 | -176.6 | -179.8 | -178 | 0 | 111.3 | K1501 S1502 F1503 K1508 H1509 | K1501-K1505 WeakPolarHBondContact O-CG 3.36Å; K1501-K1505 PolarHBondContact O-N 3.2Å; K1501-K1505 VanDerWaalsContact O-N 3.12Å; S1502-K1505 PolarHBondContact O-N 3.48Å; F1503-K1505 VanDerWaalsContact C-N 3.31Å; F1503-K1505 PolarHBondContact O-N 3.03Å; K1505-K1508 PolarHBondContact O-N 3.07Å; K1505-H1509 WeakPolarHBondContact O-CB 3.49Å; K1505-H1509 PolarHBondContact O-CD2 3.35Å; K1505-H1509 PolarHBondContact O-N 3.31Å |
| 1506 | S | 60 | Low | 56.8 | Low | 26 Ų | 26 | 84.8 Ų | 84.8 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | -178.8 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | S1502 F1503 H1509 L1510 | S1502-S1506 WeakPolarHBondContact O-CB 3.2Å; S1502-S1506 PolarHBondContact O-N 3.12Å; S1502-S1506 PolarHBondContact O-OG 3.08Å; F1503-S1506 WeakPolarHBondContact CA-OG 3.5Å; F1503-S1506 PolarHBondContact O-N 3.06Å; F1503-S1506 PolarHBondContact O-OG 3.39Å; F1503-S1506 VanDerWaalsContact O-OG 3.05Å; S1506-H1509 CarbonylContact O-C 3.59Å; S1506-H1509 PolarHBondContact O-N 3.49Å; S1506-L1510 VanDerWaalsContact O-CB 3.29Å; S1506-L1510 WeakPolarHBondContact O-CB 3.37Å; S1506-L1510 PolarHBondContact O-N 2.97Å |
| 1507 | H | 59.8 | Low | 57.5 | Low | 21 Ų | 21 | 86.7 Ų | 86.7 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.6 | -170.6 | -8.2 | 0 | 0 | 0 | 111.7 | F1503 H1509 L1510 V1511 Q1648 | F1503-H1507 HydrophobicContact CE1-CB 4.47Å; F1503-H1507 AromaticContact CE1-CD2 3.78Å; F1503-H1507 HydrophobicContact CE2-CB 4.26Å; F1503-H1507 HydrophobicContact CZ-CB 4.25Å; F1503-H1507 AromaticContact CZ-CD2 3.43Å; F1503-H1507 VanDerWaalsContact CZ-CD2 3.43Å; F1503-H1507 WeakPolarHBondContact CZ-CD2 3.48Å; F1503-H1507 WeakPolarHBondContact O-CA 3.46Å; F1503-H1507 WeakPolarHBondContact O-CB 3.23Å; F1503-H1507 PolarHBondContact O-N 3.36Å; H1507-H1509 VanDerWaalsContact C-N 3.32Å; H1507-H1509 PolarHBondContact O-N 2.71Å; H1507-L1510 PolarHBondContact O-N 3.36Å; H1507-V1511 WeakPolarHBondContact CE1-CG2 3.31Å; H1507-V1511 VanDerWaalsContact ND1-CG2 3.26Å; H1507-V1511 WeakPolarHBondContact ND1-CG2 3.04Å; H1507-V1511 WeakPolarHBondContact O-CB 3.14Å; H1507-V1511 WeakPolarHBondContact O-CG2 3.36Å; H1507-V1511 PolarHBondContact O-N 2.9Å; H1507-Q1648 PolarHBondContact CE1-O 3.32Å; H1507-Q1648 PolarHBondContact NE2-O 2.84Å |
| 1508 | K | 64.1 | Low | 58.3 | Low | 132 Ų | 132 | 79.3 Ų | 79.3 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 172.9 | -172.1 | 175.8 | -176.7 | -177.8 | 0 | 110.5 | L1504 K1505 S1512 | L1504-K1508 WeakPolarHBondContact O-CB 3.49Å; L1504-K1508 PolarHBondContact O-N 2.89Å; K1505-K1508 PolarHBondContact O-N 3.07Å; K1508-S1512 WeakPolarHBondContact O-CB 3.26Å; K1508-S1512 PolarHBondContact O-N 3.04Å; K1508-S1512 PolarHBondContact O-OG 3.25Å; K1508-S1512 VanDerWaalsContact O-OG 3.05Å |
| 1509 | H | 65.1 | Low | 59.7 | Low | 131 Ų | 131 | 81.9 Ų | 81.9 | 61% | 0.606 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.9 | -45.9 | 176.2 | -84.4 | -63.2 | 0 | 0 | 0 | 112.7 | K1505 S1506 H1507 S1512 R1513 | K1505-H1509 WeakPolarHBondContact O-CB 3.49Å; K1505-H1509 PolarHBondContact O-CD2 3.35Å; K1505-H1509 PolarHBondContact O-N 3.31Å; S1506-H1509 CarbonylContact O-C 3.59Å; S1506-H1509 PolarHBondContact O-N 3.49Å; H1507-H1509 VanDerWaalsContact C-N 3.32Å; H1507-H1509 PolarHBondContact O-N 2.71Å; H1509-S1512 WeakPolarHBondContact CA-OG 3.34Å; H1509-S1512 PolarHBondContact O-N 3.17Å; H1509-S1512 PolarHBondContact O-OG 3.16Å; H1509-R1513 WeakPolarHBondContact O-CB 3.43Å; H1509-R1513 PolarHBondContact O-N 3.02Å |
| 1510 | L | 59.4 | Low | 60.5 | Low | 55 Ų | 55 | 86.8 Ų | 86.8 | 29% | 0.288 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 179 | -105.5 | 145.4 | 0 | 0 | 0 | 112 | S1506 H1507 S1512 R1513 | S1506-L1510 VanDerWaalsContact O-CB 3.29Å; S1506-L1510 WeakPolarHBondContact O-CB 3.37Å; S1506-L1510 PolarHBondContact O-N 2.97Å; H1507-L1510 PolarHBondContact O-N 3.36Å; L1510-S1512 VanDerWaalsContact C-N 3.32Å; L1510-R1513 PolarHBondContact O-N 3.37Å |
| 1511 | V | 63.3 | Low | 61 | Low | 15 Ų | 15 | 87.6 Ų | 87.6 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | H1507 R1513 N1514 Y1577 | H1507-V1511 WeakPolarHBondContact CE1-CG2 3.31Å; H1507-V1511 VanDerWaalsContact ND1-CG2 3.26Å; H1507-V1511 WeakPolarHBondContact ND1-CG2 3.04Å; H1507-V1511 WeakPolarHBondContact O-CB 3.14Å; H1507-V1511 WeakPolarHBondContact O-CG2 3.36Å; H1507-V1511 PolarHBondContact O-N 2.9Å; V1511-R1513 PolarHBondContact O-N 3.3Å; V1511-N1514 PolarHBondContact O-N 3.22Å; V1511-Y1577 HydrophobicContact CB-CD2 4.21Å; V1511-Y1577 HydrophobicContact CB-CE2 4.37Å; V1511-Y1577 HydrophobicContact CG1-CD2 3.41Å; V1511-Y1577 VanDerWaalsContact CG1-CD2 3.41Å; V1511-Y1577 HydrophobicContact CG1-CE2 4Å; V1511-Y1577 HydrophobicContact CG1-CG 3.72Å |
| 1512 | S | 62.3 | Low | 61.6 | Low | 51 Ų | 51 | 80.8 Ų | 80.8 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.2 | -31.9 | 177.2 | 73.5 | 0 | 0 | 0 | 0 | 114.4 | K1508 H1509 L1510 N1514 F1515 | K1508-S1512 WeakPolarHBondContact O-CB 3.26Å; K1508-S1512 PolarHBondContact O-N 3.04Å; K1508-S1512 PolarHBondContact O-OG 3.25Å; K1508-S1512 VanDerWaalsContact O-OG 3.05Å; H1509-S1512 WeakPolarHBondContact CA-OG 3.34Å; H1509-S1512 PolarHBondContact O-N 3.17Å; H1509-S1512 PolarHBondContact O-OG 3.16Å; L1510-S1512 VanDerWaalsContact C-N 3.32Å; S1512-N1514 PolarHBondContact O-N 3.46Å; S1512-F1515 VanDerWaalsContact O-CD2 3.27Å; S1512-F1515 WeakPolarHBondContact O-CD2 3.43Å |
| 1513 | R | 57.7 | Low | 62.4 | Low | 224 Ų | 224 | 79.1 Ų | 79.1 | 85% | 0.845 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.5 | -20.9 | 178.2 | -114.4 | -178.4 | 165 | 174.3 | -4.6 | 112.8 | H1509 L1510 V1511 | H1509-R1513 WeakPolarHBondContact O-CB 3.43Å; H1509-R1513 PolarHBondContact O-N 3.02Å; L1510-R1513 PolarHBondContact O-N 3.37Å; V1511-R1513 PolarHBondContact O-N 3.3Å |
| 1514 | N | 57.7 | Low | 63.1 | Low | 31 Ų | 31 | 79.8 Ų | 79.8 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 16.3 | -176.2 | -68.2 | -15.4 | 0 | 0 | 0 | 113.3 | Q1487 V1511 S1512 V1516 | Q1487-N1514 PolarHBondContact O-ND2 3.01Å; V1511-N1514 PolarHBondContact O-N 3.22Å; S1512-N1514 PolarHBondContact O-N 3.46Å; N1514-V1516 PolarHBondContact O-N 2.66Å; N1514-V1516 VanDerWaalsContact O-N 3.13Å |
| 1515 | F | 60.6 | Low | 63.7 | Low | 72 Ų | 72 | 77.8 Ų | 77.8 | 32% | 0.316 | 38% | 0.379 | S | S | . | . | trans | -69.8 | 109.7 | 174.5 | -82.9 | -60.8 | 0 | 0 | 0 | 110.8 | S1512 D1517 Y1577 R1578 | S1512-F1515 VanDerWaalsContact O-CD2 3.27Å; S1512-F1515 WeakPolarHBondContact O-CD2 3.43Å; F1515-D1517 PolarHBondContact O-N 3.35Å; F1515-Y1577 HydrophobicContact CE1-CD1 4.32Å; F1515-Y1577 HydrophobicContact CE2-CD1 4.38Å; F1515-Y1577 HydrophobicContact CE2-CE1 4.47Å; F1515-Y1577 AromaticContact CZ-CD1 3.49Å; F1515-Y1577 HydrophobicContact CZ-CD1 3.49Å; F1515-Y1577 VanDerWaalsContact CZ-CD1 3.49Å; F1515-Y1577 AromaticContact CZ-CE1 3.97Å; F1515-Y1577 HydrophobicContact CZ-CE1 3.97Å; F1515-Y1577 HydrophobicContact CZ-CG 4.12Å; F1515-R1578 HydrophobicContact CE1-CG 3.94Å; F1515-R1578 HydrophobicContact CZ-CG 4.41Å | ||
| 1516 | V | 63.3 | Low | 64.5 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | trans | -71.4 | 119.6 | 161.9 | -178 | 0 | 0 | 0 | 0 | 106.8 | V1486 N1514 L1518 L1574 | V1486-V1516 HydrophobicContact CG2-CG2 3.66Å; N1514-V1516 PolarHBondContact O-N 2.66Å; N1514-V1516 VanDerWaalsContact O-N 3.13Å; V1516-L1518 VanDerWaalsContact C-N 3.26Å; V1516-L1518 HydrophobicContact CB-CD1 4.38Å; V1516-L1518 HydrophobicContact CG1-CG 4.34Å; V1516-L1518 PolarHBondContact O-N 2.89Å; V1516-L1574 HydrophobicContact CB-CD2 4.39Å; V1516-L1574 HydrophobicContact CG2-CD2 4.15Å | ||
| 1517 | D | 60 | Low | 65.4 | Low | 153 Ų | 153 | 70.5 Ų | 70.5 | 82% | 0.818 | 35% | 0.346 | S | S | * | . | trans | -66.9 | 87.5 | 175 | -99.6 | -19.6 | 0 | 0 | 0 | 109.8 | F1515 | F1515-D1517 PolarHBondContact O-N 3.35Š| ||
| 1518 | L | 64.3 | Low | 66.1 | Low | 17 Ų | 17 | 75.5 Ų | 75.5 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | trans | -81.3 | 130.3 | 172.3 | -72 | 132.4 | 0 | 0 | 0 | 108.7 | L1482 V1516 R1520 M1522 E1523 L1526 L1574 | L1482-L1518 HydrophobicContact CD1-CD2 4.45Å; V1516-L1518 VanDerWaalsContact C-N 3.26Å; V1516-L1518 HydrophobicContact CB-CD1 4.38Å; V1516-L1518 HydrophobicContact CG1-CG 4.34Å; V1516-L1518 PolarHBondContact O-N 2.89Å; L1518-R1520 PolarHBondContact O-N 3.45Å; L1518-M1522 HydrophobicContact CD2-CE 4.42Å; L1518-M1522 HydrophobicContact CD2-CG 4.29Å; L1518-M1522 HydrophobicContact CD2-SD 3.82Å; L1518-E1523 HydrophobicContact CB-CB 4.48Å; L1518-L1526 HydrophobicContact CD2-CD1 4.08Å; L1518-L1574 HydrophobicContact CD1-CB 4.2Å; L1518-L1574 HydrophobicContact CD1-CD2 4.41Å | ||
| 1519 | N | 68.9 | Low | 66.6 | Low | 127 Ų | 127 | 69.3 Ų | 69.3 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | trans | -51.8 | 131.8 | 168.8 | -86.2 | -28.9 | 0 | 0 | 0 | 110 | T1521 M1522 E1523 | N1519-T1521 PolarHBondContact O-N 3.02Å; N1519-M1522 HydrophobicContact CB-CB 4.31Å; N1519-M1522 WeakPolarHBondContact O-CA 3.43Å; N1519-M1522 VanDerWaalsContact O-CB 3.32Å; N1519-M1522 WeakPolarHBondContact O-CB 3.09Å; N1519-M1522 PolarHBondContact O-N 2.72Å; N1519-E1523 PolarHBondContact O-N 3.4Å | ||
| 1520 | R | 68.1 | Low | 67.3 | Low | 222 Ų | 222 | 63.1 Ų | 63.1 | 84% | 0.838 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -49.9 | -33.3 | -177 | -72.1 | -175.7 | -179.2 | 177.9 | 0.7 | 113.8 | L1518 A1524 | L1518-R1520 PolarHBondContact O-N 3.45Å; R1520-A1524 PolarHBondContact O-N 2.75Å; R1520-A1524 VanDerWaalsContact O-N 3.1Å |
| 1521 | T | 61.5 | Low | 68.1 | Low | 73 Ų | 73 | 62 Ų | 62 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.9 | -36.5 | 177 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | N1519 G1525 | N1519-T1521 PolarHBondContact O-N 3.02Å; T1521-G1525 PolarHBondContact O-N 3.46Å |
| 1522 | M | 67.4 | Low | 68.6 | Low | 20 Ų | 20 | 65.1 Ų | 65.1 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.1 | -43 | 175.9 | -168.8 | 179 | -174 | 0 | 0 | 110 | I1453 L1482 L1518 N1519 G1525 L1526 | I1453-M1522 HydrophobicContact CD1-CB 4.16Å; I1453-M1522 HydrophobicContact CD1-CG 3.48Å; I1453-M1522 VanDerWaalsContact CD1-CG 3.48Å; I1453-M1522 VanDerWaalsContact CD1-O 3.24Å; I1453-M1522 WeakPolarHBondContact CD1-O 3.38Å; L1482-M1522 HydrophobicContact CD1-CE 3.5Å; L1518-M1522 HydrophobicContact CD2-CE 4.42Å; L1518-M1522 HydrophobicContact CD2-CG 4.29Å; L1518-M1522 HydrophobicContact CD2-SD 3.82Å; N1519-M1522 HydrophobicContact CB-CB 4.31Å; N1519-M1522 WeakPolarHBondContact O-CA 3.43Å; N1519-M1522 VanDerWaalsContact O-CB 3.32Å; N1519-M1522 WeakPolarHBondContact O-CB 3.09Å; N1519-M1522 PolarHBondContact O-N 2.72Å; M1522-G1525 PolarHBondContact O-N 3.37Å; M1522-L1526 HydrophobicContact CG-CD1 4.34Å; M1522-L1526 WeakPolarHBondContact O-CG 3.5Å; M1522-L1526 PolarHBondContact O-N 3.37Å |
| 1523 | E | 71.6 | Confident | 69.3 | Low | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 176.2 | -171.1 | 178 | -173.4 | 0 | 0 | 112 | L1518 N1519 G1525 L1526 V1527 L1575 R1578 Y1579 | L1518-E1523 HydrophobicContact CB-CB 4.48Å; N1519-E1523 PolarHBondContact O-N 3.4Å; E1523-G1525 VanDerWaalsContact C-N 3.33Å; E1523-G1525 PolarHBondContact O-N 2.98Å; E1523-L1526 PolarHBondContact O-N 3.38Å; E1523-V1527 WeakPolarHBondContact O-CG2 3.45Å; E1523-V1527 PolarHBondContact O-N 3.41Å; E1523-V1527 VanDerWaalsContact O-N 3.13Å; E1523-L1575 HydrophobicContact CG-CD2 3.86Å; E1523-R1578 WeakPolarHBondContact OE1-CD 3.06Å; E1523-R1578 IonicContact OE1-CZ 3.43Å; E1523-R1578 IonicContact OE1-NE 2.72Å; E1523-R1578 IonicContact OE1-NH1 3.02Å; E1523-R1578 PolarHBondContact OE1-NH1 2.83Å; E1523-R1578 IonicContact OE2-NH1 3.81Å; E1523-R1578 PolarHBondContact OE2-NH1 3.02Å; E1523-Y1579 HydrophobicContact CG-CE2 3.58Å; E1523-Y1579 WeakPolarHBondContact OE1-CE2 3.25Å; E1523-Y1579 PolarHBondContact OE1-OH 3.4Å |
| 1524 | A | 71.6 | Confident | 70.2 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1520 V1527 Q1528 | R1520-A1524 PolarHBondContact O-N 2.75Å; R1520-A1524 VanDerWaalsContact O-N 3.1Å; A1524-V1527 PolarHBondContact O-N 3.32Å; A1524-Q1528 PolarHBondContact O-N 3Å; A1524-Q1528 VanDerWaalsContact O-N 3.11Å |
| 1525 | G | 71.3 | Confident | 71 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1521 M1522 E1523 V1527 Q1528 F1529 | T1521-G1525 PolarHBondContact O-N 3.46Å; M1522-G1525 PolarHBondContact O-N 3.37Å; E1523-G1525 VanDerWaalsContact C-N 3.33Å; E1523-G1525 PolarHBondContact O-N 2.98Å; G1525-V1527 VanDerWaalsContact C-N 3.28Å; G1525-V1527 PolarHBondContact O-N 3.29Å; G1525-Q1528 PolarHBondContact O-N 3.31Å; G1525-F1529 PolarHBondContact O-N 3.22Å |
| 1526 | L | 77.1 | Confident | 71.4 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 176.1 | -67.3 | 173.5 | 0 | 0 | 0 | 111.6 | I1453 L1518 M1522 E1523 F1529 T1530 L1571 L1575 | I1453-L1526 HydrophobicContact CD1-CD2 4.01Å; I1453-L1526 HydrophobicContact CD1-CG 3.83Å; I1453-L1526 HydrophobicContact CG1-CD2 4.27Å; L1518-L1526 HydrophobicContact CD2-CD1 4.08Å; M1522-L1526 HydrophobicContact CG-CD1 4.34Å; M1522-L1526 WeakPolarHBondContact O-CG 3.5Å; M1522-L1526 PolarHBondContact O-N 3.37Å; E1523-L1526 PolarHBondContact O-N 3.38Å; L1526-F1529 PolarHBondContact O-N 3.09Å; L1526-T1530 WeakPolarHBondContact O-CG2 3.33Å; L1526-T1530 PolarHBondContact O-N 3.21Å; L1526-L1571 HydrophobicContact CB-CD2 4.04Å; L1526-L1571 HydrophobicContact CD1-CD2 4.5Å; L1526-L1571 HydrophobicContact CD2-CD2 3.92Å; L1526-L1571 HydrophobicContact CG-CD2 4.37Å; L1526-L1575 HydrophobicContact CB-CD1 3.74Å |
| 1527 | V | 78 | Confident | 71.8 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 173.1 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | E1523 A1524 G1525 F1529 T1530 G1531 L1575 Y1579 E1582 | E1523-V1527 WeakPolarHBondContact O-CG2 3.45Å; E1523-V1527 PolarHBondContact O-N 3.41Å; E1523-V1527 VanDerWaalsContact O-N 3.13Å; A1524-V1527 PolarHBondContact O-N 3.32Å; G1525-V1527 VanDerWaalsContact C-N 3.28Å; G1525-V1527 PolarHBondContact O-N 3.29Å; V1527-F1529 VanDerWaalsContact C-N 3.31Å; V1527-T1530 PolarHBondContact O-N 2.85Å; V1527-T1530 PolarHBondContact O-OG1 3.15Å; V1527-G1531 PolarHBondContact O-N 3.4Å; V1527-L1575 HydrophobicContact CG2-CD1 3.95Å; V1527-L1575 HydrophobicContact CG2-CD2 4.37Å; V1527-Y1579 HydrophobicContact CG2-CD1 4.16Å; V1527-Y1579 HydrophobicContact CG2-CD2 3.6Å; V1527-Y1579 HydrophobicContact CG2-CE1 4.32Å; V1527-Y1579 HydrophobicContact CG2-CE2 3.79Å; V1527-Y1579 HydrophobicContact CG2-CG 3.8Å; V1527-E1582 HydrophobicContact CG1-CG 3.84Å |
| 1528 | Q | 74.5 | Confident | 72.1 | Confident | 127 Ų | 127 | 49.2 Ų | 49.2 | 59% | 0.593 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.6 | -36.4 | 172.5 | -70.2 | -178.1 | -5 | 0 | 0 | 111.8 | A1524 G1525 G1531 K1532 | A1524-Q1528 PolarHBondContact O-N 3Å; A1524-Q1528 VanDerWaalsContact O-N 3.11Å; G1525-Q1528 PolarHBondContact O-N 3.31Å; Q1528-G1531 PolarHBondContact O-N 2.91Å; Q1528-K1532 PolarHBondContact O-N 2.8Å |
| 1529 | F | 75.9 | Confident | 71.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 176.6 | -164 | -94 | 0 | 0 | 0 | 112.4 | I1456 L1457 F1460 L1472 L1475 G1525 L1526 V1527 G1531 K1532 L1533 L1571 | I1456-F1529 HydrophobicContact CG2-CD2 4.24Å; I1456-F1529 HydrophobicContact CG2-CE2 3.6Å; I1456-F1529 HydrophobicContact CG2-CZ 4.02Å; L1457-F1529 HydrophobicContact CD2-CB 4.11Å; L1457-F1529 HydrophobicContact CD2-CD2 3.51Å; L1457-F1529 HydrophobicContact CD2-CE2 4.4Å; L1457-F1529 HydrophobicContact CD2-CG 4.28Å; L1457-F1529 HydrophobicContact CG-CD2 3.96Å; F1460-F1529 HydrophobicContact CB-CE2 4.01Å; F1460-F1529 AromaticContact CD1-CE2 3.91Å; F1460-F1529 HydrophobicContact CD1-CE2 3.91Å; F1460-F1529 HydrophobicContact CD1-CZ 4.16Å; F1460-F1529 HydrophobicContact CD2-CE2 4.45Å; F1460-F1529 HydrophobicContact CD2-CZ 4.2Å; F1460-F1529 HydrophobicContact CE1-CE2 4.44Å; F1460-F1529 HydrophobicContact CE1-CZ 4.33Å; F1460-F1529 HydrophobicContact CE2-CZ 4.43Å; F1460-F1529 AromaticContact CG-CE2 3.9Å; F1460-F1529 HydrophobicContact CG-CE2 3.9Å; F1460-F1529 HydrophobicContact CG-CZ 4.09Å; L1472-F1529 HydrophobicContact CD2-CE1 4.4Å; L1472-F1529 HydrophobicContact CD2-CZ 4.31Å; L1475-F1529 HydrophobicContact CD1-CD1 4.02Å; L1475-F1529 HydrophobicContact CD1-CE1 3.91Å; L1475-F1529 HydrophobicContact CD1-CG 4.42Å; L1475-F1529 HydrophobicContact CD1-CZ 4.26Å; L1475-F1529 HydrophobicContact CD2-CD1 3.93Å; L1475-F1529 HydrophobicContact CD2-CE1 3.36Å; L1475-F1529 HydrophobicContact CD2-CZ 4.11Å; L1475-F1529 HydrophobicContact CG-CE1 4.22Å; G1525-F1529 PolarHBondContact O-N 3.22Å; L1526-F1529 PolarHBondContact O-N 3.09Å; V1527-F1529 VanDerWaalsContact C-N 3.31Å; F1529-G1531 VanDerWaalsContact C-N 3.33Å; F1529-G1531 PolarHBondContact O-N 3.24Å; F1529-K1532 PolarHBondContact O-N 3.44Å; F1529-L1533 HydrophobicContact CD1-CD1 3.61Å; F1529-L1533 HydrophobicContact CD1-CD2 4.43Å; F1529-L1533 HydrophobicContact CD1-CG 3.74Å; F1529-L1533 HydrophobicContact CE1-CD1 3.49Å; F1529-L1533 VanDerWaalsContact CE1-CD1 3.49Å; F1529-L1533 HydrophobicContact CE1-CD2 3.68Å; F1529-L1533 HydrophobicContact CE1-CG 3.49Å; F1529-L1533 VanDerWaalsContact CE1-CG 3.49Å; F1529-L1533 HydrophobicContact CZ-CD2 4.1Å; F1529-L1533 HydrophobicContact CZ-CG 4.25Å; F1529-L1533 WeakPolarHBondContact O-CG 3.3Å; F1529-L1533 PolarHBondContact O-N 3.31Å; F1529-L1571 HydrophobicContact CD1-CD1 4.36Å |
| 1530 | T | 78.2 | Confident | 70.6 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 172.8 | 54 | 0 | 0 | 0 | 0 | 110.5 | L1526 V1527 K1532 L1533 I1534 L1571 L1575 F1583 | L1526-T1530 WeakPolarHBondContact O-CG2 3.33Å; L1526-T1530 PolarHBondContact O-N 3.21Å; V1527-T1530 PolarHBondContact O-N 2.85Å; V1527-T1530 PolarHBondContact O-OG1 3.15Å; T1530-K1532 VanDerWaalsContact C-N 3.33Å; T1530-K1532 PolarHBondContact O-N 3.19Å; T1530-L1533 PolarHBondContact O-N 3.02Å; T1530-I1534 WeakPolarHBondContact O-CB 3.46Å; T1530-I1534 WeakPolarHBondContact O-CD1 3.5Å; T1530-I1534 WeakPolarHBondContact O-CG1 3.3Å; T1530-I1534 PolarHBondContact O-N 3.43Å; T1530-L1571 HydrophobicContact CG2-CB 3.87Å; T1530-L1571 HydrophobicContact CG2-CD1 3.65Å; T1530-L1571 HydrophobicContact CG2-CD2 4.33Å; T1530-L1571 HydrophobicContact CG2-CG 4.15Å; T1530-L1575 HydrophobicContact CG2-CD1 4.39Å; T1530-F1583 HydrophobicContact CG2-CZ 4.11Å |
| 1531 | G | 76.1 | Confident | 69.4 | Low | 31 Ų | 31 | 51.1 Ų | 51.1 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.4 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1527 Q1528 F1529 S1535 | V1527-G1531 PolarHBondContact O-N 3.4Å; Q1528-G1531 PolarHBondContact O-N 2.91Å; F1529-G1531 VanDerWaalsContact C-N 3.33Å; F1529-G1531 PolarHBondContact O-N 3.24Å; G1531-S1535 PolarHBondContact O-N 3Å |
| 1532 | K | 75.1 | Confident | 68.1 | Low | 81 Ų | 81 | 49.9 Ų | 49.9 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 175 | -76.9 | -169.9 | -171.1 | 174.5 | 0 | 112.5 | L1457 F1460 Q1528 F1529 T1530 I1534 S1535 F1536 | L1457-K1532 HydrophobicContact CD2-CD 3.6Å; L1457-K1532 HydrophobicContact CD2-CG 4.49Å; F1460-K1532 HydrophobicContact CE1-CB 4.5Å; Q1528-K1532 PolarHBondContact O-N 2.8Å; F1529-K1532 PolarHBondContact O-N 3.44Å; T1530-K1532 VanDerWaalsContact C-N 3.33Å; T1530-K1532 PolarHBondContact O-N 3.19Å; K1532-I1534 VanDerWaalsContact C-N 3.28Å; K1532-I1534 PolarHBondContact O-N 3.2Å; K1532-S1535 WeakPolarHBondContact O-CB 2.84Å; K1532-S1535 PolarHBondContact O-N 3.43Å; K1532-S1535 VanDerWaalsContact O-N 3.12Å; K1532-S1535 PolarHBondContact O-OG 3.08Å; K1532-F1536 WeakPolarHBondContact O-CD2 3.45Å |
| 1533 | L | 77.4 | Confident | 66.7 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 176 | -74.7 | 174.7 | 0 | 0 | 0 | 111.7 | F1460 L1472 F1529 T1530 S1535 F1536 C1564 C1567 L1568 L1571 | F1460-L1533 HydrophobicContact CE1-CD2 4Å; F1460-L1533 HydrophobicContact CE2-CD2 4.21Å; F1460-L1533 HydrophobicContact CZ-CD2 3.54Å; L1472-L1533 HydrophobicContact CD2-CD2 3.85Å; F1529-L1533 HydrophobicContact CD1-CD1 3.61Å; F1529-L1533 HydrophobicContact CD1-CD2 4.43Å; F1529-L1533 HydrophobicContact CD1-CG 3.74Å; F1529-L1533 HydrophobicContact CE1-CD1 3.49Å; F1529-L1533 VanDerWaalsContact CE1-CD1 3.49Å; F1529-L1533 HydrophobicContact CE1-CD2 3.68Å; F1529-L1533 HydrophobicContact CE1-CG 3.49Å; F1529-L1533 VanDerWaalsContact CE1-CG 3.49Å; F1529-L1533 HydrophobicContact CZ-CD2 4.1Å; F1529-L1533 HydrophobicContact CZ-CG 4.25Å; F1529-L1533 WeakPolarHBondContact O-CG 3.3Å; F1529-L1533 PolarHBondContact O-N 3.31Å; T1530-L1533 PolarHBondContact O-N 3.02Å; L1533-S1535 VanDerWaalsContact C-N 3.3Å; L1533-S1535 PolarHBondContact O-N 3.16Å; L1533-F1536 WeakPolarHBondContact O-CB 3.35Å; L1533-F1536 PolarHBondContact O-N 3.09Å; L1533-C1564 HydrophobicContact CD2-CB 4.32Å; L1533-C1567 HydrophobicContact CD1-CB 4.49Å; L1533-L1568 HydrophobicContact CB-CD2 4.02Å; L1533-L1568 HydrophobicContact CB-CG 4.39Å; L1533-L1568 HydrophobicContact CD1-CD2 3.81Å; L1533-L1568 HydrophobicContact CD1-CG 4.02Å; L1533-L1571 HydrophobicContact CD1-CD1 3.76Å |
| 1534 | I | 75.2 | Confident | 64.7 | Low | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.4 | -72.1 | 158.2 | 0 | 0 | 0 | 111.3 | T1530 K1532 F1536 Y1537 N1538 L1568 A1586 S1589 | T1530-I1534 WeakPolarHBondContact O-CB 3.46Å; T1530-I1534 WeakPolarHBondContact O-CD1 3.5Å; T1530-I1534 WeakPolarHBondContact O-CG1 3.3Å; T1530-I1534 PolarHBondContact O-N 3.43Å; K1532-I1534 VanDerWaalsContact C-N 3.28Å; K1532-I1534 PolarHBondContact O-N 3.2Å; I1534-F1536 PolarHBondContact O-N 3.18Å; I1534-F1536 VanDerWaalsContact O-N 3.1Å; I1534-Y1537 PolarHBondContact O-N 2.97Å; I1534-N1538 PolarHBondContact O-N 3.42Å; I1534-L1568 HydrophobicContact CG1-CD2 4.41Å; I1534-A1586 HydrophobicContact CD1-CB 3.17Å; I1534-A1586 HydrophobicContact CG1-CB 3.68Å; I1534-S1589 WeakPolarHBondContact CG2-OG 3.39Å |
| 1535 | S | 74.8 | Confident | 63.1 | Low | 64 Ų | 64 | 68.2 Ų | 68.2 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.7 | -23.1 | 179.1 | 78.5 | 0 | 0 | 0 | 0 | 113.7 | G1531 K1532 L1533 Y1537 N1538 | G1531-S1535 PolarHBondContact O-N 3Å; K1532-S1535 WeakPolarHBondContact O-CB 2.84Å; K1532-S1535 PolarHBondContact O-N 3.43Å; K1532-S1535 VanDerWaalsContact O-N 3.12Å; K1532-S1535 PolarHBondContact O-OG 3.08Å; L1533-S1535 VanDerWaalsContact C-N 3.3Å; L1533-S1535 PolarHBondContact O-N 3.16Å; S1535-Y1537 PolarHBondContact O-N 3.24Å; S1535-N1538 PolarHBondContact O-N 3.19Å |
| 1536 | F | 69.9 | Low | 61.7 | Low | 58 Ų | 58 | 70.7 Ų | 70.7 | 25% | 0.254 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.9 | 173.1 | -75.5 | -91.3 | 0 | 0 | 0 | 113.5 | F1460 K1532 L1533 I1534 F1560 | F1460-F1536 AromaticContact CD1-CE2 4Å; F1460-F1536 HydrophobicContact CD1-CE2 4Å; F1460-F1536 HydrophobicContact CD1-CZ 4.32Å; F1460-F1536 AromaticContact CE1-CD2 3.86Å; F1460-F1536 HydrophobicContact CE1-CD2 3.86Å; F1460-F1536 AromaticContact CE1-CE2 3.04Å; F1460-F1536 HydrophobicContact CE1-CE2 3.04Å; F1460-F1536 AromaticContact CE1-CZ 3.63Å; F1460-F1536 HydrophobicContact CE1-CZ 3.63Å; F1460-F1536 HydrophobicContact CE2-CE2 4.43Å; F1460-F1536 HydrophobicContact CE2-CZ 4.44Å; F1460-F1536 AromaticContact CZ-CD2 3.85Å; F1460-F1536 HydrophobicContact CZ-CD2 3.85Å; F1460-F1536 AromaticContact CZ-CE2 3.27Å; F1460-F1536 HydrophobicContact CZ-CE2 3.27Å; F1460-F1536 AromaticContact CZ-CZ 3.64Å; F1460-F1536 HydrophobicContact CZ-CZ 3.64Å; K1532-F1536 WeakPolarHBondContact O-CD2 3.45Å; L1533-F1536 WeakPolarHBondContact O-CB 3.35Å; L1533-F1536 PolarHBondContact O-N 3.09Å; I1534-F1536 PolarHBondContact O-N 3.18Å; I1534-F1536 VanDerWaalsContact O-N 3.1Å; F1536-F1560 HydrophobicContact CD1-CE1 4.23Å; F1536-F1560 HydrophobicContact CE1-CE1 4.32Å; F1536-F1560 HydrophobicContact CE1-CZ 4.47Å |
| 1537 | Y | 71.6 | Confident | 60.1 | Low | 26 Ų | 26 | 74.3 Ų | 74.3 | 10% | 0.102 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -17.4 | 178.6 | -58.9 | -81.4 | 0 | 0 | 0 | 112.5 | I1534 S1535 L1539 L1556 S1561 L1568 L1590 | I1534-Y1537 PolarHBondContact O-N 2.97Å; S1535-Y1537 PolarHBondContact O-N 3.24Å; Y1537-L1539 PolarHBondContact O-N 2.91Å; Y1537-L1556 HydrophobicContact CD1-CD2 3.6Å; Y1537-L1556 HydrophobicContact CE1-CD2 3.61Å; Y1537-S1561 PolarHBondContact OH-O 2.65Å; Y1537-S1561 PolarHBondContact OH-OG 2.86Å; Y1537-L1568 HydrophobicContact CE2-CD1 4.42Å; Y1537-L1590 HydrophobicContact CD1-CD2 3.72Å; Y1537-L1590 HydrophobicContact CD2-CD2 3.77Å; Y1537-L1590 HydrophobicContact CE1-CD2 4.25Å; Y1537-L1590 HydrophobicContact CE2-CD2 4.3Å; Y1537-L1590 HydrophobicContact CG-CD2 3.45Å; Y1537-L1590 VanDerWaalsContact CG-CD2 3.45Å |
| 1538 | N | 65.4 | Low | 58.3 | Low | 81 Ų | 81 | 76.4 Ų | 76.4 | 43% | 0.433 | 43% | 0.426 | S | S | . | . | trans | -76.6 | 77.2 | 175.8 | -82.3 | -32.2 | 0 | 0 | 0 | 111.8 | I1534 S1535 K1540 S1589 | I1534-N1538 PolarHBondContact O-N 3.42Å; S1535-N1538 PolarHBondContact O-N 3.19Å; N1538-K1540 PolarHBondContact O-N 2.88Å; N1538-S1589 WeakPolarHBondContact OD1-CA 3.21Å; N1538-S1589 WeakPolarHBondContact OD1-CB 3.13Å | ||
| 1539 | L | 54.1 | Low | 56.7 | Low | 78 Ų | 78 | 76.9 Ų | 76.9 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | trans | -87.7 | 104 | 171.4 | -118.3 | 85.3 | 0 | 0 | 0 | 110.6 | Y1537 S1541 H1552 | Y1537-L1539 PolarHBondContact O-N 2.91Å; L1539-S1541 PolarHBondContact O-N 3.3Å; L1539-H1552 WeakPolarHBondContact CD2-CE1 3.47Å; L1539-H1552 WeakPolarHBondContact CD2-ND1 3.36Å | ||
| 1540 | K | 47.3 | Very low | 55.2 | Low | 201 Ų | 201 | 81.7 Ų | 81.7 | 87% | 0.874 | 45% | 0.452 | S | S | * | . | trans | -62.8 | 127.1 | 170.2 | -73.8 | -174.2 | 178.1 | 180 | 0 | 109.3 | N1538 G1542 | N1538-K1540 PolarHBondContact O-N 2.88Å; K1540-G1542 PolarHBondContact O-N 3.48Å | ||
| 1541 | S | 42.8 | Very low | 53.7 | Low | 127 Ų | 127 | 87.8 Ų | 87.8 | 89% | 0.888 | 48% | 0.479 | S | S | * | . | trans | -69 | 63.9 | 176.2 | 62.1 | 0 | 0 | 0 | 0 | 112 | L1539 | L1539-S1541 PolarHBondContact O-N 3.3Š| ||
| 1542 | G | 35.4 | Very low | 52.3 | Low | 46 Ų | 46 | 89 Ų | 89 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | trans | -86.3 | 137.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | K1540 M1544 | K1540-G1542 PolarHBondContact O-N 3.48Å; G1542-M1544 WeakPolarHBondContact O-CG 3.49Å; G1542-M1544 PolarHBondContact O-N 3.32Å | ||
| 1543 | K | 36.9 | Very low | 51 | Low | 228 Ų | 228 | 87.4 Ų | 87.4 | 99% | 0.991 | 47% | 0.473 | S | S | * | . | trans | -38.3 | 107.1 | 176.7 | -70 | 175.3 | 176.2 | 177 | 0 | 111.1 | ||||
| 1544 | M | 30.8 | Very low | 50 | Low | 140 Ų | 140 | 90.4 Ų | 90.4 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | trans | -131 | 129.5 | -175.8 | -88 | -99.4 | -179.4 | 0 | 0 | 109.9 | G1542 L1548 | G1542-M1544 WeakPolarHBondContact O-CG 3.49Å; G1542-M1544 PolarHBondContact O-N 3.32Å; M1544-L1548 HydrophobicContact SD-CD2 3.96Å | ||
| 1545 | D | 37.2 | Very low | 49.3 | Very low | 95 Ų | 95 | 93 Ų | 93 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | trans | -62.4 | 147.4 | -177.8 | -78.9 | -37.2 | 0 | 0 | 0 | 113.2 | S1547 L1548 | D1545-S1547 PolarHBondContact O-N 2.73Å; D1545-L1548 PolarHBondContact O-N 3.03Å; D1545-L1548 VanDerWaalsContact O-N 3.12Å | ||
| 1546 | G | 42.6 | Very low | 48.9 | Very low | 63 Ų | 63 | 90.7 Ų | 90.7 | 65% | 0.649 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -57.1 | -20.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1548 R1549 | G1546-L1548 VanDerWaalsContact C-N 3.29Å; G1546-L1548 PolarHBondContact O-N 3.42Å; G1546-R1549 PolarHBondContact O-N 2.83Å |
| 1547 | S | 43.2 | Very low | 48.5 | Very low | 79 Ų | 79 | 88.3 Ų | 88.3 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -68.9 | -20.7 | 177.6 | 146 | 0 | 0 | 0 | 0 | 114 | D1545 T1550 | D1545-S1547 PolarHBondContact O-N 2.73Å; S1547-T1550 PolarHBondContact O-OG1 3.25Å |
| 1548 | L | 40.4 | Very low | 48.6 | Very low | 64 Ų | 64 | 88.7 Ų | 88.7 | 34% | 0.335 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -86 | -19.5 | 178.7 | -99.1 | 98.1 | 0 | 0 | 0 | 114.1 | M1544 D1545 G1546 T1550 K1551 H1552 | M1544-L1548 HydrophobicContact SD-CD2 3.96Å; D1545-L1548 PolarHBondContact O-N 3.03Å; D1545-L1548 VanDerWaalsContact O-N 3.12Å; G1546-L1548 VanDerWaalsContact C-N 3.29Å; G1546-L1548 PolarHBondContact O-N 3.42Å; L1548-T1550 VanDerWaalsContact C-N 3.35Å; L1548-T1550 PolarHBondContact O-N 2.7Å; L1548-K1551 WeakPolarHBondContact O-CB 3.01Å; L1548-K1551 PolarHBondContact O-N 3.16Å; L1548-H1552 PolarHBondContact O-CD2 3.47Å; L1548-H1552 PolarHBondContact O-N 3.33Å |
| 1549 | R | 40.9 | Very low | 49 | Very low | 137 Ų | 137 | 85.7 Ų | 85.7 | 52% | 0.517 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | -176.9 | -94.7 | -173.8 | 175.5 | 174.4 | 3 | 113.6 | G1546 K1551 H1552 T1553 | G1546-R1549 PolarHBondContact O-N 2.83Å; R1549-K1551 VanDerWaalsContact C-N 3.28Å; R1549-K1551 PolarHBondContact O-N 2.98Å; R1549-H1552 PolarHBondContact O-N 2.65Å; R1549-H1552 VanDerWaalsContact O-N 3.12Å; R1549-T1553 PolarHBondContact O-N 3.13Å |
| 1550 | T | 44.3 | Very low | 50 | Low | 102 Ų | 102 | 83.9 Ų | 83.9 | 63% | 0.626 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.2 | -29.1 | 175.8 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | S1547 L1548 T1553 T1554 | S1547-T1550 PolarHBondContact O-OG1 3.25Å; L1548-T1550 VanDerWaalsContact C-N 3.35Å; L1548-T1550 PolarHBondContact O-N 2.7Å; T1550-T1553 PolarHBondContact O-OG1 3.2Å; T1550-T1554 WeakPolarHBondContact O-CG2 3.43Å |
| 1551 | K | 46.7 | Very low | 51.4 | Low | 130 Ų | 130 | 74.4 Ų | 74.4 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.2 | -33.3 | 171.9 | -70 | -179.7 | -179.9 | 173.4 | 0 | 111.6 | L1548 R1549 T1554 V1555 | L1548-K1551 WeakPolarHBondContact O-CB 3.01Å; L1548-K1551 PolarHBondContact O-N 3.16Å; R1549-K1551 VanDerWaalsContact C-N 3.28Å; R1549-K1551 PolarHBondContact O-N 2.98Å; K1551-T1554 PolarHBondContact O-N 2.91Å; K1551-T1554 PolarHBondContact O-OG1 3.43Å; K1551-V1555 WeakPolarHBondContact O-CG2 3.18Å; K1551-V1555 PolarHBondContact O-N 2.74Å |
| 1552 | H | 46 | Very low | 53.2 | Low | 56 Ų | 56 | 71.7 Ų | 71.7 | 26% | 0.259 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.6 | -40.9 | -177.1 | -71.7 | -61.9 | 0 | 0 | 0 | 114.4 | L1539 L1548 R1549 T1554 V1555 | L1539-H1552 WeakPolarHBondContact CD2-CE1 3.47Å; L1539-H1552 WeakPolarHBondContact CD2-ND1 3.36Å; L1548-H1552 PolarHBondContact O-CD2 3.47Å; L1548-H1552 PolarHBondContact O-N 3.33Å; R1549-H1552 PolarHBondContact O-N 2.65Å; R1549-H1552 VanDerWaalsContact O-N 3.12Å; H1552-T1554 PolarHBondContact O-N 3.33Å; H1552-V1555 WeakPolarHBondContact O-CB 3.47Å; H1552-V1555 PolarHBondContact O-N 2.99Å; H1552-V1555 VanDerWaalsContact O-N 3.07Å |
| 1553 | T | 49.2 | Very low | 55.3 | Low | 48 Ų | 48 | 70.8 Ų | 70.8 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -31.6 | 175.2 | 41.5 | 0 | 0 | 0 | 0 | 112.3 | R1549 T1550 V1555 | R1549-T1553 PolarHBondContact O-N 3.13Å; T1550-T1553 PolarHBondContact O-OG1 3.2Å; T1553-V1555 VanDerWaalsContact C-N 3.29Å; T1553-V1555 PolarHBondContact O-N 3.25Å |
| 1554 | T | 54.9 | Low | 57.5 | Low | 63 Ų | 63 | 60 Ų | 60 | 39% | 0.387 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.7 | -23.6 | 174.3 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | T1550 K1551 H1552 S1558 | T1550-T1554 WeakPolarHBondContact O-CG2 3.43Å; K1551-T1554 PolarHBondContact O-N 2.91Å; K1551-T1554 PolarHBondContact O-OG1 3.43Å; H1552-T1554 PolarHBondContact O-N 3.33Å; T1554-S1558 WeakPolarHBondContact O-CB 3.18Å; T1554-S1558 PolarHBondContact O-N 3.19Å |
| 1555 | V | 60.8 | Low | 59.9 | Low | 66 Ų | 66 | 53.3 Ų | 53.3 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.2 | -47.7 | -179.4 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | K1551 H1552 T1553 S1558 S1561 | K1551-V1555 WeakPolarHBondContact O-CG2 3.18Å; K1551-V1555 PolarHBondContact O-N 2.74Å; H1552-V1555 WeakPolarHBondContact O-CB 3.47Å; H1552-V1555 PolarHBondContact O-N 2.99Å; H1552-V1555 VanDerWaalsContact O-N 3.07Å; T1553-V1555 VanDerWaalsContact C-N 3.29Å; T1553-V1555 PolarHBondContact O-N 3.25Å; V1555-S1558 WeakPolarHBondContact O-CB 3.5Å; V1555-S1558 PolarHBondContact O-N 3.37Å; V1555-S1558 PolarHBondContact O-OG 2.91Å; V1555-S1561 VanDerWaalsContact O-CB 3.23Å; V1555-S1561 WeakPolarHBondContact O-CB 3.35Å |
| 1556 | L | 66.6 | Low | 62 | Low | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.5 | -38.3 | -174.7 | -71.8 | 170.5 | 0 | 0 | 0 | 113.1 | Y1537 S1558 S1561 N1596 W1597 L1632 S1635 | Y1537-L1556 HydrophobicContact CD1-CD2 3.6Å; Y1537-L1556 HydrophobicContact CE1-CD2 3.61Å; L1556-S1558 VanDerWaalsContact C-N 3.32Å; L1556-S1558 PolarHBondContact O-N 2.93Å; L1556-S1561 WeakPolarHBondContact O-CB 3.08Å; L1556-S1561 PolarHBondContact O-OG 3.09Å; L1556-N1596 HydrophobicContact CD1-CB 3.46Å; L1556-N1596 VanDerWaalsContact CD1-CB 3.46Å; L1556-N1596 WeakPolarHBondContact CD1-O 3.34Å; L1556-W1597 HydrophobicContact CD2-CH2 4.4Å; L1556-W1597 HydrophobicContact CD2-CZ2 4.47Å; L1556-W1597 HydrophobicContact CD2-CZ3 4.47Å; L1556-L1632 HydrophobicContact CB-CD1 4.07Å; L1556-S1635 VanDerWaalsContact O-CB 3.31Å; L1556-S1635 WeakPolarHBondContact O-CB 3.41Å; L1556-S1635 PolarHBondContact O-OG 3.07Å |
| 1557 | G | 62.5 | Low | 64 | Low | 8 Ų | 8 | 47.9 Ų | 47.9 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 1.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1631 | G1557-S1631 VanDerWaalsContact O-CB 3.24Å; G1557-S1631 WeakPolarHBondContact O-CB 3.42Å; G1557-S1631 PolarHBondContact O-OG 3.22Å |
| 1558 | S | 73 | Confident | 65.9 | Low | 34 Ų | 34 | 44.1 Ų | 44.1 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -69.1 | 152.6 | -178.5 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | T1554 V1555 L1556 F1560 S1561 R1562 | T1554-S1558 WeakPolarHBondContact O-CB 3.18Å; T1554-S1558 PolarHBondContact O-N 3.19Å; V1555-S1558 WeakPolarHBondContact O-CB 3.5Å; V1555-S1558 PolarHBondContact O-N 3.37Å; V1555-S1558 PolarHBondContact O-OG 2.91Å; L1556-S1558 VanDerWaalsContact C-N 3.32Å; L1556-S1558 PolarHBondContact O-N 2.93Å; S1558-F1560 PolarHBondContact O-N 3.33Å; S1558-F1560 VanDerWaalsContact O-N 3.17Å; S1558-S1561 PolarHBondContact O-N 3.15Å; S1558-S1561 VanDerWaalsContact O-N 3.15Å; S1558-S1561 PolarHBondContact OG-N 3.24Å; S1558-S1561 VanDerWaalsContact OG-N 3.12Å; S1558-R1562 PolarHBondContact O-N 2.82Å |
| 1559 | G | 73.5 | Confident | 68 | Low | 19 Ų | 19 | 44 Ų | 44 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.1 | -32.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1563 | G1559-Q1563 PolarHBondContact O-N 3.44Å; G1559-Q1563 VanDerWaalsContact O-N 3.14Å |
| 1560 | F | 75.8 | Confident | 69.9 | Low | 39 Ų | 39 | 38.5 Ų | 38.5 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -47.6 | 176.3 | -179.9 | -98.3 | 0 | 0 | 0 | 112.5 | F1460 R1468 L1472 F1536 S1558 R1562 Q1563 C1564 | F1460-F1560 AromaticContact CE2-CE2 3.97Å; F1460-F1560 HydrophobicContact CE2-CE2 3.97Å; F1460-F1560 AromaticContact CE2-CZ 3.55Å; F1460-F1560 HydrophobicContact CE2-CZ 3.55Å; F1460-F1560 AromaticContact CZ-CZ 3.95Å; F1460-F1560 HydrophobicContact CZ-CZ 3.95Å; R1468-F1560 HydrophobicContact CB-CD2 4.39Å; R1468-F1560 HydrophobicContact CB-CE2 3.47Å; R1468-F1560 VanDerWaalsContact CB-CE2 3.47Å; R1468-F1560 HydrophobicContact CB-CZ 3.94Å; L1472-F1560 HydrophobicContact CD1-CD2 3.48Å; L1472-F1560 VanDerWaalsContact CD1-CD2 3.48Å; L1472-F1560 HydrophobicContact CD1-CE2 3.2Å; L1472-F1560 HydrophobicContact CD1-CG 4.28Å; L1472-F1560 HydrophobicContact CD1-CZ 3.85Å; L1472-F1560 HydrophobicContact CG-CE2 4.11Å; F1536-F1560 HydrophobicContact CD1-CE1 4.23Å; F1536-F1560 HydrophobicContact CE1-CE1 4.32Å; F1536-F1560 HydrophobicContact CE1-CZ 4.47Å; S1558-F1560 PolarHBondContact O-N 3.33Å; S1558-F1560 VanDerWaalsContact O-N 3.17Å; F1560-R1562 PolarHBondContact O-N 3.36Å; F1560-Q1563 PolarHBondContact O-N 3.35Å; F1560-C1564 PolarHBondContact O-N 3.39Å; F1560-C1564 PolarHBondContact O-SG 2.66Å; F1560-C1564 VanDerWaalsContact O-SG 3.36Å |
| 1561 | S | 76.3 | Confident | 71.8 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 177 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | Y1537 V1555 L1556 S1558 Q1563 C1564 L1565 | Y1537-S1561 PolarHBondContact OH-O 2.65Å; Y1537-S1561 PolarHBondContact OH-OG 2.86Å; V1555-S1561 VanDerWaalsContact O-CB 3.23Å; V1555-S1561 WeakPolarHBondContact O-CB 3.35Å; L1556-S1561 WeakPolarHBondContact O-CB 3.08Å; L1556-S1561 PolarHBondContact O-OG 3.09Å; S1558-S1561 PolarHBondContact O-N 3.15Å; S1558-S1561 VanDerWaalsContact O-N 3.15Å; S1558-S1561 PolarHBondContact OG-N 3.24Å; S1558-S1561 VanDerWaalsContact OG-N 3.12Å; S1561-Q1563 VanDerWaalsContact C-N 3.27Å; S1561-Q1563 PolarHBondContact O-N 3.25Å; S1561-C1564 WeakPolarHBondContact O-CB 3.5Å; S1561-C1564 PolarHBondContact O-N 3.24Å; S1561-L1565 WeakPolarHBondContact O-CG 3.37Å; S1561-L1565 PolarHBondContact O-N 2.83Å |
| 1562 | R | 80.8 | Confident | 73.5 | Confident | 69 Ų | 69 | 27.4 Ų | 27.4 | 26% | 0.26 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.4 | -42.9 | 174.8 | -69.4 | -176.9 | -71 | -167 | -1.1 | 111.4 | S1558 F1560 L1565 A1566 S1631 E1634 L1638 | S1558-R1562 PolarHBondContact O-N 2.82Å; F1560-R1562 PolarHBondContact O-N 3.36Å; R1562-L1565 PolarHBondContact O-N 3.4Å; R1562-A1566 PolarHBondContact O-N 3.48Å; R1562-S1631 VanDerWaalsContact NH1-CB 3.28Å; R1562-E1634 WeakPolarHBondContact CD-OE2 3.34Å; R1562-E1634 HydrophobicContact CG-CG 4.38Å; R1562-E1634 IonicContact CZ-OE2 3.56Å; R1562-E1634 IonicContact NE-OE2 2.93Å; R1562-E1634 IonicContact NH1-OE2 2.7Å; R1562-E1634 PolarHBondContact NH1-OE2 3.39Å; R1562-L1638 HydrophobicContact CB-CD1 3.71Å; R1562-L1638 HydrophobicContact CG-CD1 4.01Å |
| 1563 | Q | 80.1 | Confident | 75.1 | Confident | 27 Ų | 27 | 27.4 Ų | 27.4 | 13% | 0.126 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70 | -38.2 | 177.7 | -167.7 | 172.1 | 11.6 | 0 | 0 | 113.2 | L1472 D1473 G1559 F1560 S1561 L1565 A1566 C1567 | L1472-Q1563 VanDerWaalsContact C-NE2 3.32Å; L1472-Q1563 HydrophobicContact CB-CG 3.96Å; L1472-Q1563 HydrophobicContact CD1-CB 4.31Å; L1472-Q1563 HydrophobicContact CD1-CG 4.32Å; D1473-Q1563 VanDerWaalsContact CA-NE2 3.27Å; D1473-Q1563 VanDerWaalsContact N-NE2 3.14Å; D1473-Q1563 PolarHBondContact OD1-NE2 3.32Å; G1559-Q1563 PolarHBondContact O-N 3.44Å; G1559-Q1563 VanDerWaalsContact O-N 3.14Å; F1560-Q1563 PolarHBondContact O-N 3.35Å; S1561-Q1563 VanDerWaalsContact C-N 3.27Å; S1561-Q1563 PolarHBondContact O-N 3.25Å; Q1563-L1565 VanDerWaalsContact C-N 3.34Å; Q1563-L1565 PolarHBondContact O-N 2.93Å; Q1563-A1566 PolarHBondContact O-N 3.3Å; Q1563-C1567 PolarHBondContact O-N 3.04Å; Q1563-C1567 PolarHBondContact O-SG 3.32Å |
| 1564 | C | 81.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57 | -47.1 | 171.3 | -72.3 | 0 | 0 | 0 | 0 | 111.3 | L1472 L1533 F1560 S1561 C1567 L1568 | L1472-C1564 WeakPolarHBondContact CD1-SG 3.29Å; L1533-C1564 HydrophobicContact CD2-CB 4.32Å; F1560-C1564 PolarHBondContact O-N 3.39Å; F1560-C1564 PolarHBondContact O-SG 2.66Å; F1560-C1564 VanDerWaalsContact O-SG 3.36Å; S1561-C1564 WeakPolarHBondContact O-CB 3.5Å; S1561-C1564 PolarHBondContact O-N 3.24Å; C1564-C1567 PolarHBondContact O-N 3.03Å; C1564-L1568 WeakPolarHBondContact O-CB 3.44Å; C1564-L1568 WeakPolarHBondContact O-CG 3.43Å; C1564-L1568 PolarHBondContact O-N 2.95Å |
| 1565 | L | 82.2 | Confident | 77.8 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 178.5 | -69.7 | 168.8 | 0 | 0 | 0 | 112.3 | S1561 R1562 Q1563 L1568 R1569 W1597 S1635 L1638 A1639 | S1561-L1565 WeakPolarHBondContact O-CG 3.37Å; S1561-L1565 PolarHBondContact O-N 2.83Å; R1562-L1565 PolarHBondContact O-N 3.4Å; Q1563-L1565 VanDerWaalsContact C-N 3.34Å; Q1563-L1565 PolarHBondContact O-N 2.93Å; L1565-L1568 HydrophobicContact CD2-CD1 4.39Å; L1565-L1568 PolarHBondContact O-N 3.48Å; L1565-R1569 PolarHBondContact O-N 2.98Å; L1565-W1597 HydrophobicContact CD1-CH2 4.19Å; L1565-W1597 HydrophobicContact CD1-CZ3 4.32Å; L1565-S1635 VanDerWaalsContact CD1-O 3.25Å; L1565-S1635 WeakPolarHBondContact CD1-O 3.4Å; L1565-L1638 HydrophobicContact CB-CB 3.91Å; L1565-L1638 HydrophobicContact CD1-CB 4.05Å; L1565-A1639 HydrophobicContact CD1-CB 4.18Å; L1565-A1639 HydrophobicContact CD2-CB 4.29Å |
| 1566 | A | 81.5 | Confident | 78.6 | Confident | 42 Ų | 42 | 19.8 Ų | 19.8 | 35% | 0.347 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1562 Q1563 R1569 S1570 | R1562-A1566 PolarHBondContact O-N 3.48Å; Q1563-A1566 PolarHBondContact O-N 3.3Å; A1566-R1569 PolarHBondContact O-N 3.46Å; A1566-S1570 PolarHBondContact O-N 2.93Å; A1566-S1570 VanDerWaalsContact O-N 3.08Å; A1566-S1570 PolarHBondContact O-OG 2.9Å |
| 1567 | C | 83.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 175.1 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | L1475 L1479 L1533 Q1563 C1564 R1569 S1570 L1571 | L1475-C1567 HydrophobicContact CD2-CB 3.85Å; L1479-C1567 HydrophobicContact CD1-CB 4.24Å; L1533-C1567 HydrophobicContact CD1-CB 4.49Å; Q1563-C1567 PolarHBondContact O-N 3.04Å; Q1563-C1567 PolarHBondContact O-SG 3.32Å; C1564-C1567 PolarHBondContact O-N 3.03Å; C1567-R1569 VanDerWaalsContact C-N 3.31Å; C1567-R1569 PolarHBondContact O-N 3.43Å; C1567-S1570 PolarHBondContact O-N 3.2Å; C1567-L1571 WeakPolarHBondContact O-CB 3.15Å; C1567-L1571 VanDerWaalsContact O-CG 3.28Å; C1567-L1571 WeakPolarHBondContact O-CG 3.43Å; C1567-L1571 PolarHBondContact O-N 3.43Å |
| 1568 | L | 83.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.3 | -78.4 | 174.5 | 0 | 0 | 0 | 111.4 | L1533 I1534 Y1537 C1564 L1565 L1571 T1572 F1642 | L1533-L1568 HydrophobicContact CB-CD2 4.02Å; L1533-L1568 HydrophobicContact CB-CG 4.39Å; L1533-L1568 HydrophobicContact CD1-CD2 3.81Å; L1533-L1568 HydrophobicContact CD1-CG 4.02Å; I1534-L1568 HydrophobicContact CG1-CD2 4.41Å; Y1537-L1568 HydrophobicContact CE2-CD1 4.42Å; C1564-L1568 WeakPolarHBondContact O-CB 3.44Å; C1564-L1568 WeakPolarHBondContact O-CG 3.43Å; C1564-L1568 PolarHBondContact O-N 2.95Å; L1565-L1568 HydrophobicContact CD2-CD1 4.39Å; L1565-L1568 PolarHBondContact O-N 3.48Å; L1568-L1571 PolarHBondContact O-N 3.44Å; L1568-T1572 WeakPolarHBondContact O-CB 3.26Å; L1568-T1572 PolarHBondContact O-N 3.38Å; L1568-T1572 PolarHBondContact O-OG1 3.08Å; L1568-F1642 HydrophobicContact CB-CD2 3.66Å; L1568-F1642 HydrophobicContact CB-CE2 3.63Å; L1568-F1642 HydrophobicContact CB-CG 4.39Å; L1568-F1642 HydrophobicContact CB-CZ 4.37Å; L1568-F1642 HydrophobicContact CG-CE2 4.48Å |
| 1569 | R | 83.9 | Confident | 80.2 | Confident | 62 Ų | 62 | 28.2 Ų | 28.2 | 23% | 0.234 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 173.2 | -174.9 | -178.6 | 175.2 | -175.6 | -0.1 | 111.4 | L1565 A1566 C1567 L1571 T1572 K1573 E1645 | L1565-R1569 PolarHBondContact O-N 2.98Å; A1566-R1569 PolarHBondContact O-N 3.46Å; C1567-R1569 VanDerWaalsContact C-N 3.31Å; C1567-R1569 PolarHBondContact O-N 3.43Å; R1569-L1571 VanDerWaalsContact C-N 3.34Å; R1569-L1571 PolarHBondContact O-N 2.92Å; R1569-T1572 VanDerWaalsContact O-CB 3.26Å; R1569-T1572 WeakPolarHBondContact O-CB 3.44Å; R1569-T1572 PolarHBondContact O-N 3.37Å; R1569-K1573 WeakPolarHBondContact O-CG 3.28Å; R1569-K1573 PolarHBondContact O-N 2.79Å; R1569-K1573 VanDerWaalsContact O-N 3.15Å; R1569-E1645 HydrophobicContact CG-CB 4.12Å; R1569-E1645 HydrophobicContact CG-CG 4.12Å; R1569-E1645 IonicContact CZ-OE2 2.61Å; R1569-E1645 IonicContact NE-OE2 3.87Å; R1569-E1645 PolarHBondContact NE-OE2 3.44Å; R1569-E1645 IonicContact NH2-OE2 3.45Å; R1569-E1645 PolarHBondContact NH2-OE2 3.39Å |
| 1570 | S | 81.9 | Confident | 80.6 | Confident | 21 Ų | 21 | 29.1 Ų | 29.1 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | A1566 C1567 K1573 | A1566-S1570 PolarHBondContact O-N 2.93Å; A1566-S1570 VanDerWaalsContact O-N 3.08Å; A1566-S1570 PolarHBondContact O-OG 2.9Å; C1567-S1570 PolarHBondContact O-N 3.2Å; S1570-K1573 WeakPolarHBondContact O-CB 3.46Å; S1570-K1573 PolarHBondContact O-N 3.41Å |
| 1571 | L | 83.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | 174 | -73.4 | 163.4 | 0 | 0 | 0 | 111.8 | L1479 L1526 F1529 T1530 L1533 C1567 L1568 R1569 K1573 L1574 L1575 F1583 | L1479-L1571 HydrophobicContact CD1-CD1 4.4Å; L1479-L1571 HydrophobicContact CD1-CD2 4.12Å; L1479-L1571 HydrophobicContact CD1-CG 3.84Å; L1479-L1571 HydrophobicContact CD2-CD2 3.75Å; L1479-L1571 HydrophobicContact CD2-CG 4.23Å; L1526-L1571 HydrophobicContact CB-CD2 4.04Å; L1526-L1571 HydrophobicContact CD1-CD2 4.5Å; L1526-L1571 HydrophobicContact CD2-CD2 3.92Å; L1526-L1571 HydrophobicContact CG-CD2 4.37Å; F1529-L1571 HydrophobicContact CD1-CD1 4.36Å; T1530-L1571 HydrophobicContact CG2-CB 3.87Å; T1530-L1571 HydrophobicContact CG2-CD1 3.65Å; T1530-L1571 HydrophobicContact CG2-CD2 4.33Å; T1530-L1571 HydrophobicContact CG2-CG 4.15Å; L1533-L1571 HydrophobicContact CD1-CD1 3.76Å; C1567-L1571 WeakPolarHBondContact O-CB 3.15Å; C1567-L1571 VanDerWaalsContact O-CG 3.28Å; C1567-L1571 WeakPolarHBondContact O-CG 3.43Å; C1567-L1571 PolarHBondContact O-N 3.43Å; L1568-L1571 PolarHBondContact O-N 3.44Å; R1569-L1571 VanDerWaalsContact C-N 3.34Å; R1569-L1571 PolarHBondContact O-N 2.92Å; L1571-K1573 PolarHBondContact O-N 3.28Å; L1571-L1574 PolarHBondContact O-N 3.42Å; L1571-L1574 VanDerWaalsContact O-N 3.09Å; L1571-L1575 HydrophobicContact CD2-CD1 4.29Å; L1571-L1575 WeakPolarHBondContact O-CB 3.38Å; L1571-L1575 PolarHBondContact O-N 3.05Å; L1571-F1583 HydrophobicContact CB-CZ 4.48Å |
| 1572 | T | 81.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58 | -39.8 | 173.8 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | L1568 R1569 L1574 A1576 F1583 F1642 E1645 C1646 R1649 | L1568-T1572 WeakPolarHBondContact O-CB 3.26Å; L1568-T1572 PolarHBondContact O-N 3.38Å; L1568-T1572 PolarHBondContact O-OG1 3.08Å; R1569-T1572 VanDerWaalsContact O-CB 3.26Å; R1569-T1572 WeakPolarHBondContact O-CB 3.44Å; R1569-T1572 PolarHBondContact O-N 3.37Å; T1572-L1574 PolarHBondContact O-N 3.18Å; T1572-A1576 HydrophobicContact CG2-CB 3.7Å; T1572-A1576 WeakPolarHBondContact O-CB 3.17Å; T1572-A1576 PolarHBondContact O-N 2.72Å; T1572-F1583 HydrophobicContact CG2-CD1 4.33Å; T1572-F1583 HydrophobicContact CG2-CE1 4.29Å; T1572-F1583 VanDerWaalsContact OG1-CE1 3.26Å; T1572-F1583 WeakPolarHBondContact OG1-CE1 3.29Å; T1572-F1642 WeakPolarHBondContact OG1-CD2 3.24Å; T1572-F1642 WeakPolarHBondContact OG1-CE2 3.26Å; T1572-E1645 HydrophobicContact CG2-CB 4.33Å; T1572-E1645 HydrophobicContact CG2-CG 4.16Å; T1572-E1645 WeakPolarHBondContact CG2-O 3.36Å; T1572-C1646 HydrophobicContact CG2-CB 4.06Å; T1572-C1646 WeakPolarHBondContact CG2-SG 3.41Å; T1572-R1649 WeakPolarHBondContact O-CD 3.46Å |
| 1573 | K | 80 | Confident | 81 | Confident | 55 Ų | 55 | 28.5 Ų | 28.5 | 24% | 0.239 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -36.9 | 176.6 | -61.7 | -171.7 | 179.3 | 177.8 | 0 | 113.1 | T1483 V1486 R1569 S1570 L1571 E1645 R1649 | T1483-K1573 HydrophobicContact CG2-CB 4.08Å; T1483-K1573 HydrophobicContact CG2-CD 4.36Å; V1486-K1573 HydrophobicContact CG1-CB 4.48Å; R1569-K1573 WeakPolarHBondContact O-CG 3.28Å; R1569-K1573 PolarHBondContact O-N 2.79Å; R1569-K1573 VanDerWaalsContact O-N 3.15Å; S1570-K1573 WeakPolarHBondContact O-CB 3.46Å; S1570-K1573 PolarHBondContact O-N 3.41Å; L1571-K1573 PolarHBondContact O-N 3.28Å; K1573-E1645 WeakPolarHBondContact CE-OE2 3.37Å; K1573-E1645 HydrophobicContact CG-CG 3.97Å; K1573-E1645 WeakPolarHBondContact CG-OE1 3.36Å; K1573-R1649 VanDerWaalsContact CA-CZ 3.46Å; K1573-R1649 VanDerWaalsContact CA-NH1 3.35Å; K1573-R1649 PolarHBondContact O-NH1 2.92Å |
| 1574 | L | 79.5 | Confident | 81.1 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -91 | -36.9 | -175.1 | -61.1 | 175 | 0 | 0 | 0 | 113.2 | L1479 L1482 T1483 V1486 V1516 L1518 L1571 T1572 | L1479-L1574 HydrophobicContact CD2-CD1 3.83Å; L1482-L1574 HydrophobicContact CB-CD1 4.1Å; L1482-L1574 HydrophobicContact CD1-CD1 4.38Å; T1483-L1574 HydrophobicContact CG2-CD1 4.12Å; T1483-L1574 HydrophobicContact CG2-CD2 3.94Å; T1483-L1574 HydrophobicContact CG2-CG 3.86Å; V1486-L1574 HydrophobicContact CG2-CD2 4.15Å; V1516-L1574 HydrophobicContact CB-CD2 4.39Å; V1516-L1574 HydrophobicContact CG2-CD2 4.15Å; L1518-L1574 HydrophobicContact CD1-CB 4.2Å; L1518-L1574 HydrophobicContact CD1-CD2 4.41Å; L1571-L1574 PolarHBondContact O-N 3.42Å; L1571-L1574 VanDerWaalsContact O-N 3.09Å; T1572-L1574 PolarHBondContact O-N 3.18Å |
| 1575 | L | 81.3 | Confident | 81 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -115.2 | -20.6 | -162.6 | -62.7 | 175.5 | 0 | 0 | 0 | 115.6 | E1523 L1526 V1527 T1530 L1571 Y1577 R1578 Y1579 F1583 | E1523-L1575 HydrophobicContact CG-CD2 3.86Å; L1526-L1575 HydrophobicContact CB-CD1 3.74Å; V1527-L1575 HydrophobicContact CG2-CD1 3.95Å; V1527-L1575 HydrophobicContact CG2-CD2 4.37Å; T1530-L1575 HydrophobicContact CG2-CD1 4.39Å; L1571-L1575 HydrophobicContact CD2-CD1 4.29Å; L1571-L1575 WeakPolarHBondContact O-CB 3.38Å; L1571-L1575 PolarHBondContact O-N 3.05Å; L1575-Y1577 VanDerWaalsContact C-N 3.26Å; L1575-Y1577 PolarHBondContact O-N 3.47Å; L1575-Y1577 VanDerWaalsContact O-N 3.14Å; L1575-R1578 PolarHBondContact O-N 2.77Å; L1575-R1578 VanDerWaalsContact O-N 3.08Å; L1575-Y1579 HydrophobicContact CD2-CD2 4.35Å; L1575-Y1579 HydrophobicContact CD2-CE2 4.39Å; L1575-Y1579 PolarHBondContact O-N 2.84Å; L1575-F1583 HydrophobicContact CB-CE2 3.56Å; L1575-F1583 HydrophobicContact CB-CZ 3.86Å |
| 1576 | A | 77.5 | Confident | 80.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -33.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1572 F1583 R1649 | T1572-A1576 HydrophobicContact CG2-CB 3.7Å; T1572-A1576 WeakPolarHBondContact O-CB 3.17Å; T1572-A1576 PolarHBondContact O-N 2.72Å; A1576-F1583 HydrophobicContact CB-CD2 4.14Å; A1576-F1583 HydrophobicContact CB-CE2 4.33Å; A1576-F1583 HydrophobicContact CB-CG 4.31Å; A1576-R1649 HydrophobicContact CB-CB 3.82Å |
| 1577 | Y | 77.5 | Confident | 80.8 | Confident | 62 Ų | 62 | 33.4 Ų | 33.4 | 24% | 0.243 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -37.5 | 178.7 | -169.9 | -87 | 0 | 0 | 0 | 113.1 | V1511 F1515 L1575 R1649 P1651 | V1511-Y1577 HydrophobicContact CB-CD2 4.21Å; V1511-Y1577 HydrophobicContact CB-CE2 4.37Å; V1511-Y1577 HydrophobicContact CG1-CD2 3.41Å; V1511-Y1577 VanDerWaalsContact CG1-CD2 3.41Å; V1511-Y1577 HydrophobicContact CG1-CE2 4Å; V1511-Y1577 HydrophobicContact CG1-CG 3.72Å; F1515-Y1577 HydrophobicContact CE1-CD1 4.32Å; F1515-Y1577 HydrophobicContact CE2-CD1 4.38Å; F1515-Y1577 HydrophobicContact CE2-CE1 4.47Å; F1515-Y1577 AromaticContact CZ-CD1 3.49Å; F1515-Y1577 HydrophobicContact CZ-CD1 3.49Å; F1515-Y1577 VanDerWaalsContact CZ-CD1 3.49Å; F1515-Y1577 AromaticContact CZ-CE1 3.97Å; F1515-Y1577 HydrophobicContact CZ-CE1 3.97Å; F1515-Y1577 HydrophobicContact CZ-CG 4.12Å; L1575-Y1577 VanDerWaalsContact C-N 3.26Å; L1575-Y1577 PolarHBondContact O-N 3.47Å; L1575-Y1577 VanDerWaalsContact O-N 3.14Å; Y1577-R1649 WeakPolarHBondContact CA-O 3.48Å; Y1577-R1649 WeakPolarHBondContact CB-O 3.43Å; Y1577-R1649 PolarHBondContact N-O 2.89Å; Y1577-P1651 HydrophobicContact CD2-CB 4.38Å; Y1577-P1651 HydrophobicContact CE2-CB 4.23Å |
| 1578 | R | 77 | Confident | 80.6 | Confident | 96 Ų | 96 | 35.8 Ų | 35.8 | 36% | 0.362 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -32.3 | -176.7 | -72.7 | -174.8 | -177.5 | -178.3 | 3.6 | 113.1 | F1515 E1523 L1575 P1580 | F1515-R1578 HydrophobicContact CE1-CG 3.94Å; F1515-R1578 HydrophobicContact CZ-CG 4.41Å; E1523-R1578 WeakPolarHBondContact OE1-CD 3.06Å; E1523-R1578 IonicContact OE1-CZ 3.43Å; E1523-R1578 IonicContact OE1-NE 2.72Å; E1523-R1578 IonicContact OE1-NH1 3.02Å; E1523-R1578 PolarHBondContact OE1-NH1 2.83Å; E1523-R1578 IonicContact OE2-NH1 3.81Å; E1523-R1578 PolarHBondContact OE2-NH1 3.02Å; L1575-R1578 PolarHBondContact O-N 2.77Å; L1575-R1578 VanDerWaalsContact O-N 3.08Å; R1578-P1580 WeakPolarHBondContact O-CD 3.42Å |
| 1579 | Y | 82 | Confident | 80.4 | Confident | 78 Ų | 78 | 36 Ų | 36 | 31% | 0.306 | 17% | 0.169 | S | C | . | . | trans | -123 | 61.5 | -179.2 | -58.6 | -87.2 | 0 | 0 | 0 | 112.3 | E1523 V1527 L1575 G1581 E1582 | E1523-Y1579 HydrophobicContact CG-CE2 3.58Å; E1523-Y1579 WeakPolarHBondContact OE1-CE2 3.25Å; E1523-Y1579 PolarHBondContact OE1-OH 3.4Å; V1527-Y1579 HydrophobicContact CG2-CD1 4.16Å; V1527-Y1579 HydrophobicContact CG2-CD2 3.6Å; V1527-Y1579 HydrophobicContact CG2-CE1 4.32Å; V1527-Y1579 HydrophobicContact CG2-CE2 3.79Å; V1527-Y1579 HydrophobicContact CG2-CG 3.8Å; L1575-Y1579 HydrophobicContact CD2-CD2 4.35Å; L1575-Y1579 HydrophobicContact CD2-CE2 4.39Å; L1575-Y1579 PolarHBondContact O-N 2.84Å; Y1579-G1581 PolarHBondContact O-N 3.48Å; Y1579-E1582 PolarHBondContact O-N 3.39Å | ||
| 1580 | P | 81 | Confident | 80 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -34.9 | -176.9 | 24.5 | -34.8 | 0 | 0 | 0 | 112.6 | R1578 E1582 F1583 M1584 L1650 P1651 | R1578-P1580 WeakPolarHBondContact O-CD 3.42Å; P1580-E1582 VanDerWaalsContact C-N 3.33Å; P1580-E1582 PolarHBondContact O-N 2.92Å; P1580-F1583 PolarHBondContact O-N 3.39Å; P1580-M1584 WeakPolarHBondContact O-CB 3.49Å; P1580-M1584 WeakPolarHBondContact O-CG 3.43Å; P1580-M1584 PolarHBondContact O-N 3.19Å; P1580-L1650 HydrophobicContact CB-CD2 3.56Å; P1580-P1651 HydrophobicContact CB-CG 3.89Å; P1580-P1651 HydrophobicContact CG-CG 3.97Å |
| 1581 | G | 79.2 | Confident | 79.6 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 40% | 0.402 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.2 | -38.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1579 M1584 R1585 | Y1579-G1581 PolarHBondContact O-N 3.48Å; G1581-M1584 PolarHBondContact O-N 3.47Å; G1581-R1585 WeakPolarHBondContact O-CG 3.5Å; G1581-R1585 PolarHBondContact O-N 3.3Å; G1581-R1585 VanDerWaalsContact O-N 3.09Å |
| 1582 | E | 79.7 | Confident | 78.9 | Confident | 56 Ų | 56 | 37.6 Ų | 37.6 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74 | -38.3 | -178.5 | -60.7 | -59.5 | 157 | 0 | 0 | 112 | V1527 Y1579 P1580 R1585 A1586 | V1527-E1582 HydrophobicContact CG1-CG 3.84Å; Y1579-E1582 PolarHBondContact O-N 3.39Å; P1580-E1582 VanDerWaalsContact C-N 3.33Å; P1580-E1582 PolarHBondContact O-N 2.92Å; E1582-R1585 PolarHBondContact O-N 2.73Å; E1582-R1585 IonicContact OE1-CZ 3.2Å; E1582-R1585 IonicContact OE1-NH1 2.91Å; E1582-R1585 PolarHBondContact OE1-NH1 3.03Å; E1582-R1585 IonicContact OE2-NH1 3.13Å; E1582-R1585 PolarHBondContact OE2-NH1 2.98Å; E1582-A1586 PolarHBondContact O-N 3.42Å |
| 1583 | F | 83.9 | Confident | 78.1 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.7 | -31.1 | 174.6 | -72.4 | -86.3 | 0 | 0 | 0 | 112.2 | T1530 L1571 T1572 L1575 A1576 P1580 A1586 L1587 F1642 | T1530-F1583 HydrophobicContact CG2-CZ 4.11Å; L1571-F1583 HydrophobicContact CB-CZ 4.48Å; T1572-F1583 HydrophobicContact CG2-CD1 4.33Å; T1572-F1583 HydrophobicContact CG2-CE1 4.29Å; T1572-F1583 VanDerWaalsContact OG1-CE1 3.26Å; T1572-F1583 WeakPolarHBondContact OG1-CE1 3.29Å; L1575-F1583 HydrophobicContact CB-CE2 3.56Å; L1575-F1583 HydrophobicContact CB-CZ 3.86Å; A1576-F1583 HydrophobicContact CB-CD2 4.14Å; A1576-F1583 HydrophobicContact CB-CE2 4.33Å; A1576-F1583 HydrophobicContact CB-CG 4.31Å; P1580-F1583 PolarHBondContact O-N 3.39Å; F1583-A1586 VanDerWaalsContact O-CB 3.23Å; F1583-A1586 WeakPolarHBondContact O-CB 3.48Å; F1583-A1586 PolarHBondContact O-N 3.33Å; F1583-L1587 WeakPolarHBondContact O-CG 3.34Å; F1583-L1587 PolarHBondContact O-N 2.92Å; F1583-F1642 HydrophobicContact CD1-CE2 4.27Å; F1583-F1642 HydrophobicContact CD1-CZ 4.4Å; F1583-F1642 HydrophobicContact CE1-CE2 4.39Å |
| 1584 | M | 80.7 | Confident | 77.3 | Confident | 24 Ų | 24 | 37.3 Ų | 37.3 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | 171.7 | -68.5 | -62.8 | -81.8 | 0 | 0 | 111.7 | P1580 G1581 A1586 L1587 D1588 L1650 T1662 | P1580-M1584 WeakPolarHBondContact O-CB 3.49Å; P1580-M1584 WeakPolarHBondContact O-CG 3.43Å; P1580-M1584 PolarHBondContact O-N 3.19Å; G1581-M1584 PolarHBondContact O-N 3.47Å; M1584-A1586 VanDerWaalsContact C-N 3.31Å; M1584-A1586 PolarHBondContact O-N 2.68Å; M1584-L1587 PolarHBondContact O-N 3.24Å; M1584-L1587 HydrophobicContact SD-CD1 4.09Å; M1584-D1588 VanDerWaalsContact O-CG 3.31Å; M1584-D1588 PolarHBondContact O-N 2.94Å; M1584-L1650 HydrophobicContact CG-CD2 4.45Å; M1584-L1650 HydrophobicContact SD-CD1 3.71Å; M1584-T1662 HydrophobicContact CE-CG2 4.15Å |
| 1585 | R | 79.7 | Confident | 76.4 | Confident | 148 Ų | 148 | 39.3 Ų | 39.3 | 56% | 0.558 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.8 | -33.5 | 170.7 | -68.6 | -178.7 | -161 | 134.3 | 2.6 | 112.5 | G1581 E1582 D1588 S1589 | G1581-R1585 WeakPolarHBondContact O-CG 3.5Å; G1581-R1585 PolarHBondContact O-N 3.3Å; G1581-R1585 VanDerWaalsContact O-N 3.09Å; E1582-R1585 PolarHBondContact O-N 2.73Å; E1582-R1585 IonicContact OE1-CZ 3.2Å; E1582-R1585 IonicContact OE1-NH1 2.91Å; E1582-R1585 PolarHBondContact OE1-NH1 3.03Å; E1582-R1585 IonicContact OE2-NH1 3.13Å; E1582-R1585 PolarHBondContact OE2-NH1 2.98Å; R1585-D1588 PolarHBondContact O-N 3.01Å; R1585-S1589 WeakPolarHBondContact O-CB 3.4Å; R1585-S1589 PolarHBondContact O-N 3.2Å; R1585-S1589 PolarHBondContact O-OG 3.16Å |
| 1586 | A | 80.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1534 E1582 F1583 M1584 S1589 L1590 F1642 | I1534-A1586 HydrophobicContact CD1-CB 3.17Å; I1534-A1586 HydrophobicContact CG1-CB 3.68Å; E1582-A1586 PolarHBondContact O-N 3.42Å; F1583-A1586 VanDerWaalsContact O-CB 3.23Å; F1583-A1586 WeakPolarHBondContact O-CB 3.48Å; F1583-A1586 PolarHBondContact O-N 3.33Å; M1584-A1586 VanDerWaalsContact C-N 3.31Å; M1584-A1586 PolarHBondContact O-N 2.68Å; A1586-S1589 PolarHBondContact O-N 3.14Å; A1586-S1589 PolarHBondContact O-OG 2.72Å; A1586-L1590 WeakPolarHBondContact O-CG 3.39Å; A1586-L1590 PolarHBondContact O-N 2.59Å; A1586-F1642 HydrophobicContact CB-CZ 4.12Å |
| 1587 | L | 78.9 | Confident | 75.3 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -49 | 175.2 | -67.7 | 172.2 | 0 | 0 | 0 | 110.4 | F1583 M1584 S1589 L1590 M1591 F1642 F1643 C1646 | F1583-L1587 WeakPolarHBondContact O-CG 3.34Å; F1583-L1587 PolarHBondContact O-N 2.92Å; M1584-L1587 PolarHBondContact O-N 3.24Å; M1584-L1587 HydrophobicContact SD-CD1 4.09Å; L1587-S1589 VanDerWaalsContact C-N 3.3Å; L1587-S1589 PolarHBondContact O-N 2.66Å; L1587-L1590 PolarHBondContact O-N 3.47Å; L1587-M1591 WeakPolarHBondContact O-CB 3.21Å; L1587-M1591 WeakPolarHBondContact O-CG 3.49Å; L1587-M1591 PolarHBondContact O-N 3.38Å; L1587-F1642 HydrophobicContact CD2-CE1 4.25Å; L1587-F1643 HydrophobicContact CD2-CD1 3.35Å; L1587-F1643 HydrophobicContact CD2-CE1 3.86Å; L1587-F1643 HydrophobicContact CD2-CG 4.28Å; L1587-C1646 HydrophobicContact CD1-CB 4.44Å; L1587-C1646 HydrophobicContact CD2-CB 4.46Å |
| 1588 | D | 80.2 | Confident | 74.8 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.3 | -44.1 | 178.6 | -70.3 | -27.1 | 0 | 0 | 0 | 112.4 | M1584 R1585 L1590 M1591 T1592 R1665 | M1584-D1588 VanDerWaalsContact O-CG 3.31Å; M1584-D1588 PolarHBondContact O-N 2.94Å; R1585-D1588 PolarHBondContact O-N 3.01Å; D1588-L1590 PolarHBondContact O-N 3.16Å; D1588-M1591 WeakPolarHBondContact O-CB 3.46Å; D1588-M1591 PolarHBondContact O-N 3.32Å; D1588-T1592 WeakPolarHBondContact O-CG2 3.32Å; D1588-T1592 PolarHBondContact O-N 3.43Å; D1588-R1665 VanDerWaalsContact CG-NH2 3.34Å; D1588-R1665 IonicContact OD1-CZ 3.39Å; D1588-R1665 IonicContact OD1-NE 3.7Å; D1588-R1665 PolarHBondContact OD1-NE 3.37Å; D1588-R1665 IonicContact OD1-NH2 3.19Å; D1588-R1665 PolarHBondContact OD1-NH2 3.02Å; D1588-R1665 IonicContact OD2-CZ 2.76Å; D1588-R1665 IonicContact OD2-NE 3.58Å; D1588-R1665 IonicContact OD2-NH2 3.76Å; D1588-R1665 PolarHBondContact OD2-NH2 3.49Å |
| 1589 | S | 77.7 | Confident | 74 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 179.4 | 67.6 | 0 | 0 | 0 | 0 | 113 | I1534 N1538 R1585 A1586 L1587 M1591 T1592 | I1534-S1589 WeakPolarHBondContact CG2-OG 3.39Å; N1538-S1589 WeakPolarHBondContact OD1-CA 3.21Å; N1538-S1589 WeakPolarHBondContact OD1-CB 3.13Å; R1585-S1589 WeakPolarHBondContact O-CB 3.4Å; R1585-S1589 PolarHBondContact O-N 3.2Å; R1585-S1589 PolarHBondContact O-OG 3.16Å; A1586-S1589 PolarHBondContact O-N 3.14Å; A1586-S1589 PolarHBondContact O-OG 2.72Å; L1587-S1589 VanDerWaalsContact C-N 3.3Å; L1587-S1589 PolarHBondContact O-N 2.66Å; S1589-M1591 PolarHBondContact O-N 3.47Å; S1589-T1592 PolarHBondContact O-N 2.66Å; S1589-T1592 PolarHBondContact O-OG1 3.21Å |
| 1590 | L | 76 | Confident | 72.6 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.7 | -25 | 179.9 | -66.5 | 166 | 0 | 0 | 0 | 111.5 | Y1537 A1586 L1587 D1588 W1597 F1642 F1643 | Y1537-L1590 HydrophobicContact CD1-CD2 3.72Å; Y1537-L1590 HydrophobicContact CD2-CD2 3.77Å; Y1537-L1590 HydrophobicContact CE1-CD2 4.25Å; Y1537-L1590 HydrophobicContact CE2-CD2 4.3Å; Y1537-L1590 HydrophobicContact CG-CD2 3.45Å; Y1537-L1590 VanDerWaalsContact CG-CD2 3.45Å; A1586-L1590 WeakPolarHBondContact O-CG 3.39Å; A1586-L1590 PolarHBondContact O-N 2.59Å; L1587-L1590 PolarHBondContact O-N 3.47Å; D1588-L1590 PolarHBondContact O-N 3.16Å; L1590-W1597 HydrophobicContact CD2-CH2 4.38Å; L1590-W1597 HydrophobicContact CD2-CZ2 3.81Å; L1590-W1597 PolarHBondContact O-NE1 3.1Å; L1590-F1642 HydrophobicContact CD1-CD1 3.91Å; L1590-F1642 HydrophobicContact CD1-CE1 3.55Å; L1590-F1643 HydrophobicContact CB-CE1 4.13Å; L1590-F1643 HydrophobicContact CB-CZ 4.17Å; L1590-F1643 HydrophobicContact CD1-CE1 3.66Å; L1590-F1643 HydrophobicContact CD1-CZ 4.29Å |
| 1591 | M | 74.3 | Confident | 71.2 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 14% | 0.143 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -80.3 | -22.4 | 176 | -69.5 | 176.5 | 47.4 | 0 | 0 | 114.5 | L1587 D1588 S1589 V1593 P1594 R1665 W1668 | L1587-M1591 WeakPolarHBondContact O-CB 3.21Å; L1587-M1591 WeakPolarHBondContact O-CG 3.49Å; L1587-M1591 PolarHBondContact O-N 3.38Å; D1588-M1591 WeakPolarHBondContact O-CB 3.46Å; D1588-M1591 PolarHBondContact O-N 3.32Å; S1589-M1591 PolarHBondContact O-N 3.47Å; M1591-V1593 VanDerWaalsContact C-N 3.26Å; M1591-V1593 PolarHBondContact O-N 2.94Å; M1591-V1593 VanDerWaalsContact O-N 3.14Å; M1591-P1594 WeakPolarHBondContact O-CD 3.19Å; M1591-R1665 HydrophobicContact CE-CB 4.18Å; M1591-R1665 HydrophobicContact CE-CG 3.88Å; M1591-R1665 HydrophobicContact SD-CB 3.93Å; M1591-R1665 HydrophobicContact SD-CG 3.7Å; M1591-W1668 HydrophobicContact CB-CD2 4.18Å; M1591-W1668 HydrophobicContact CB-CE3 4.33Å; M1591-W1668 HydrophobicContact CB-CH2 4.46Å; M1591-W1668 HydrophobicContact CB-CZ2 4.3Å; M1591-W1668 HydrophobicContact CB-CZ3 4.47Å; M1591-W1668 HydrophobicContact CE-CB 3.7Å; M1591-W1668 HydrophobicContact CE-CD2 4.29Å; M1591-W1668 HydrophobicContact CE-CG 3.9Å; M1591-W1668 HydrophobicContact CG-CD2 3.7Å; M1591-W1668 HydrophobicContact CG-CE3 3.44Å; M1591-W1668 VanDerWaalsContact CG-CE3 3.44Å; M1591-W1668 HydrophobicContact CG-CG 4.3Å; M1591-W1668 HydrophobicContact CG-CH2 4.11Å; M1591-W1668 HydrophobicContact CG-CZ2 4.33Å; M1591-W1668 HydrophobicContact CG-CZ3 3.67Å; M1591-W1668 HydrophobicContact SD-CE3 4.28Å |
| 1592 | T | 68.1 | Low | 69.6 | Low | 83 Ų | 83 | 39.8 Ų | 39.8 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -59.6 | -29.1 | -170.5 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | D1588 S1589 | D1588-T1592 WeakPolarHBondContact O-CG2 3.32Å; D1588-T1592 PolarHBondContact O-N 3.43Å; S1589-T1592 PolarHBondContact O-N 2.66Å; S1589-T1592 PolarHBondContact O-OG1 3.21Å |
| 1593 | V | 65.3 | Low | 67.7 | Low | 44 Ų | 44 | 43 Ų | 43 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | trans | -141.7 | 80.1 | -178.7 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | M1591 S1595 N1596 | M1591-V1593 VanDerWaalsContact C-N 3.26Å; M1591-V1593 PolarHBondContact O-N 2.94Å; M1591-V1593 VanDerWaalsContact O-N 3.14Å; V1593-S1595 WeakPolarHBondContact CG1-OG 3.45Å; V1593-S1595 PolarHBondContact O-N 2.98Å; V1593-N1596 HydrophobicContact CG1-CB 4.45Å; V1593-N1596 WeakPolarHBondContact CG1-ND2 3.26Å; V1593-N1596 PolarHBondContact O-N 3.46Å | ||
| 1594 | P | 62.6 | Low | 65.4 | Low | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -60.4 | -30.4 | 179.4 | 17.1 | -26.4 | 0 | 0 | 0 | 113 | M1591 N1596 W1597 W1668 C1694 | M1591-P1594 WeakPolarHBondContact O-CD 3.19Å; P1594-N1596 PolarHBondContact O-N 3.42Å; P1594-W1597 PolarHBondContact O-N 3.47Å; P1594-W1597 VanDerWaalsContact O-N 3.07Å; P1594-W1668 HydrophobicContact CB-CZ2 3.73Å; P1594-W1668 HydrophobicContact CG-CZ2 4.36Å; P1594-C1694 WeakPolarHBondContact CD-SG 3.49Å; P1594-C1694 HydrophobicContact CG-CB 4.33Å; P1594-C1694 WeakPolarHBondContact CG-SG 3.49Å |
| 1595 | S | 60.6 | Low | 63.1 | Low | 58 Ų | 58 | 54.5 Ų | 54.5 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -59.1 | -22.7 | -177.3 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | V1593 M1706 | V1593-S1595 WeakPolarHBondContact CG1-OG 3.45Å; V1593-S1595 PolarHBondContact O-N 2.98Å; S1595-M1706 WeakPolarHBondContact O-CE 3.25Å |
| 1596 | N | 66.3 | Low | 60.9 | Low | 57 Ų | 57 | 51.9 Ų | 51.9 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -75.4 | -25 | -179.3 | -65.8 | -13.9 | 0 | 0 | 0 | 112.6 | L1556 V1593 P1594 W1598 | L1556-N1596 HydrophobicContact CD1-CB 3.46Å; L1556-N1596 VanDerWaalsContact CD1-CB 3.46Å; L1556-N1596 WeakPolarHBondContact CD1-O 3.34Å; V1593-N1596 HydrophobicContact CG1-CB 4.45Å; V1593-N1596 WeakPolarHBondContact CG1-ND2 3.26Å; V1593-N1596 PolarHBondContact O-N 3.46Å; P1594-N1596 PolarHBondContact O-N 3.42Å; N1596-W1598 PolarHBondContact O-N 3.49Å |
| 1597 | W | 70.6 | Confident | 58.5 | Low | 5 Ų | 5 | 60.5 Ų | 60.5 | 2% | 0.019 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -72.4 | -9.4 | -179.9 | -68.8 | 96.5 | 0 | 0 | 0 | 113.9 | L1556 L1565 L1590 P1594 R1636 A1639 F1672 | L1556-W1597 HydrophobicContact CD2-CH2 4.4Å; L1556-W1597 HydrophobicContact CD2-CZ2 4.47Å; L1556-W1597 HydrophobicContact CD2-CZ3 4.47Å; L1565-W1597 HydrophobicContact CD1-CH2 4.19Å; L1565-W1597 HydrophobicContact CD1-CZ3 4.32Å; L1590-W1597 HydrophobicContact CD2-CH2 4.38Å; L1590-W1597 HydrophobicContact CD2-CZ2 3.81Å; L1590-W1597 PolarHBondContact O-NE1 3.1Å; P1594-W1597 PolarHBondContact O-N 3.47Å; P1594-W1597 VanDerWaalsContact O-N 3.07Å; W1597-R1636 HydrophobicContact CB-CG 4.44Å; W1597-R1636 HydrophobicContact CE3-CG 3.94Å; W1597-R1636 WeakPolarHBondContact O-CD 3.43Å; W1597-R1636 PolarHBondContact O-NE 3.25Å; W1597-A1639 HydrophobicContact CH2-CB 3.6Å; W1597-A1639 HydrophobicContact CZ2-CB 4.29Å; W1597-A1639 HydrophobicContact CZ3-CB 3.83Å; W1597-F1672 HydrophobicContact CB-CE2 3.78Å; W1597-F1672 HydrophobicContact CB-CZ 4.3Å; W1597-F1672 HydrophobicContact CD2-CE2 4.15Å; W1597-F1672 AromaticContact CD2-CZ 3.97Å; W1597-F1672 HydrophobicContact CD2-CZ 3.97Å; W1597-F1672 HydrophobicContact CE3-CZ 4.2Å; W1597-F1672 AromaticContact CG-CE2 3.71Å; W1597-F1672 HydrophobicContact CG-CE2 3.71Å; W1597-F1672 HydrophobicContact CG-CZ 4.03Å |
| 1598 | W | 66.5 | Low | 56.5 | Low | 10 Ų | 10 | 66.6 Ų | 66.6 | 4% | 0.038 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -124.6 | 142.7 | -172.2 | -52.5 | 105.9 | 0 | 0 | 0 | 110.3 | N1596 T1600 F1672 D1675 H1676 T1679 P1687 M1706 | N1596-W1598 PolarHBondContact O-N 3.49Å; W1598-T1600 PolarHBondContact O-N 2.9Å; W1598-F1672 HydrophobicContact CZ2-CD2 4.27Å; W1598-F1672 HydrophobicContact CZ2-CE2 4.19Å; W1598-D1675 HydrophobicContact CH2-CB 3.84Å; W1598-D1675 HydrophobicContact CZ2-CB 3.73Å; W1598-H1676 HydrophobicContact CH2-CB 4.23Å; W1598-T1679 HydrophobicContact CH2-CG2 4.48Å; W1598-T1679 HydrophobicContact CZ3-CG2 3.93Å; W1598-T1679 WeakPolarHBondContact CZ3-OG1 3.42Å; W1598-P1687 HydrophobicContact CB-CG 4.37Å; W1598-P1687 HydrophobicContact CD2-CB 3.97Å; W1598-P1687 HydrophobicContact CD2-CG 3.67Å; W1598-P1687 HydrophobicContact CE3-CB 4.2Å; W1598-P1687 HydrophobicContact CE3-CG 3.96Å; W1598-P1687 HydrophobicContact CG-CG 3.83Å; W1598-P1687 HydrophobicContact CH2-CB 4.15Å; W1598-P1687 HydrophobicContact CZ2-CB 3.92Å; W1598-P1687 HydrophobicContact CZ3-CB 4.26Å; W1598-P1687 HydrophobicContact CZ3-CG 4.47Å; W1598-M1706 HydrophobicContact CB-CE 3.66Å; W1598-M1706 HydrophobicContact CB-SD 3.53Å; W1598-M1706 VanDerWaalsContact CB-SD 3.53Å; W1598-M1706 HydrophobicContact CG-SD 4.22Å |
| 1599 | I | 59.7 | Low | 54.1 | Low | 45 Ų | 45 | 68.4 Ų | 68.4 | 23% | 0.231 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 118.7 | -177.8 | -65.1 | 159.6 | 0 | 0 | 0 | 109.4 | V1601 L1632 M1706 K1707 V1709 | I1599-V1601 HydrophobicContact CG2-CG2 4.15Å; I1599-L1632 HydrophobicContact CD1-CD2 3.81Å; I1599-L1632 HydrophobicContact CG1-CD2 3.53Å; I1599-M1706 VanDerWaalsContact O-CA 3.25Å; I1599-M1706 WeakPolarHBondContact O-CA 3.5Å; I1599-M1706 WeakPolarHBondContact O-CB 3.22Å; I1599-K1707 PolarHBondContact O-N 2.87Å; I1599-V1709 HydrophobicContact CD1-CG2 3.54Å |
| 1600 | T | 54 | Low | 51.8 | Low | 46 Ų | 46 | 73.6 Ų | 73.6 | 28% | 0.282 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -91.3 | 117.2 | 168.2 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | W1598 M1706 | W1598-T1600 PolarHBondContact O-N 2.9Å; T1600-M1706 HydrophobicContact CG2-CE 3.4Å; T1600-M1706 HydrophobicContact CG2-CG 4.04Å |
| 1601 | V | 50.6 | Low | 49.6 | Very low | 68 Ų | 68 | 79.7 Ų | 79.7 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 120.3 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | I1599 K1707 | I1599-V1601 HydrophobicContact CG2-CG2 4.15Å; V1601-K1707 HydrophobicContact CG2-CB 4.07Å |
| 1602 | D | 46.5 | Very low | 47.3 | Very low | 92 Ų | 92 | 85.4 Ų | 85.4 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 121.5 | 170.9 | -73.3 | -38 | 0 | 0 | 0 | 108.2 | T1604 R1704 | D1602-T1604 PolarHBondContact O-N 3.43Å; D1602-R1704 IonicContact OD1-NE 2.93Å |
| 1603 | V | 38.9 | Very low | 45.4 | Very low | 123 Ų | 123 | 87.2 Ų | 87.2 | 75% | 0.745 | 53% | 0.533 | S | S | * | . | trans | -79.9 | 98.9 | 177.4 | -179 | 0 | 0 | 0 | 0 | 108 | ||||
| 1604 | T | 35.6 | Very low | 43.5 | Very low | 115 Ų | 115 | 90.7 Ų | 90.7 | 71% | 0.706 | 55% | 0.554 | S | S | * | * | trans | -123.5 | 125.7 | 166.4 | 50.6 | 0 | 0 | 0 | 0 | 109.3 | D1602 | D1602-T1604 PolarHBondContact O-N 3.43Š| ||
| 1605 | D | 33 | Very low | 41.8 | Very low | 155 Ų | 155 | 97.6 Ų | 97.6 | 83% | 0.829 | 59% | 0.591 | S | S | * | * | trans | 70.2 | 70.1 | 165 | -51.1 | -24.5 | 0 | 0 | 0 | 117.7 | ||||
| 1606 | A | 31.9 | Very low | 40 | Very low | 93 Ų | 93 | 103.1 Ų | 103.1 | 77% | 0.769 | 61% | 0.61 | S | S | * | * | trans | -117.2 | 100.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1607 | H | 30.9 | Very low | 38.3 | Very low | 181 Ų | 181 | 106.2 Ų | 106.2 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | trans | -58.1 | 134.9 | 168.3 | -86.6 | -74.1 | 0 | 0 | 0 | 109.8 | A1609 | H1607-A1609 PolarHBondContact O-N 3.37Å; H1607-A1609 VanDerWaalsContact O-N 3.08Å | ||
| 1608 | P | 37.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 113.5 Ų | 113.5 | 84% | 0.838 | 67% | 0.672 | S | S | * | * | trans | -82 | 92.2 | -178.2 | 32.9 | -30.3 | 0 | 0 | 0 | 108.8 | ||||
| 1609 | A | 29.4 | Very low | 34.3 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -95.2 | 108.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | H1607 | H1607-A1609 PolarHBondContact O-N 3.37Å; H1607-A1609 VanDerWaalsContact O-N 3.08Å | ||
| 1610 | S | 28.9 | Very low | 32.6 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | 21.7 | 110.8 | 154.8 | 57.5 | 0 | 0 | 0 | 0 | 118.8 | N1612 | S1610-N1612 PolarHBondContact O-N 2.98Š| ||
| 1611 | V | 29.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | -42.9 | 123.5 | 153.1 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1612 | N | 27.5 | Very low | 30.3 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 162.3 | 100.5 | 140.9 | -81.5 | -14.3 | 0 | 0 | 0 | 110.2 | S1610 | S1610-N1612 PolarHBondContact O-N 2.98Š| ||
| 1613 | S | 26.7 | Very low | 29.7 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | 169 | 121.8 | 129 | 56.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1614 | T | 26.5 | Very low | 29.6 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -53.4 | 152.7 | 164.6 | 44.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1615 | D | 25.8 | Very low | 29.7 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 116.9 | 115.4 | 150.8 | -55 | -34.6 | 0 | 0 | 0 | 117.5 | ||||
| 1616 | E | 24.6 | Very low | 30 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 67.8 | 121.7 | 159.1 | -63 | -169.1 | 152.1 | 0 | 0 | 120.7 | L1618 | E1616-L1618 PolarHBondContact O-N 2.9Š| ||
| 1617 | P | 29.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -78.8 | 92.7 | -179.1 | 33.6 | -31.1 | 0 | 0 | 0 | 109.5 | V1619 | P1617-V1619 PolarHBondContact O-N 3.36Š| ||
| 1618 | L | 24.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -63.3 | 102.4 | 164.8 | -79.5 | 164.9 | 0 | 0 | 0 | 109.2 | E1616 E1620 | E1616-L1618 PolarHBondContact O-N 2.9Å; L1618-E1620 VanDerWaalsContact C-N 3.32Å; L1618-E1620 PolarHBondContact O-N 3.33Å | ||
| 1619 | V | 29 | Very low | 32 | Very low | 141 Ų | 141 | 124 Ų | 124 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -68.1 | 87.4 | 168.2 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | P1617 | P1617-V1619 PolarHBondContact O-N 3.36Š| ||
| 1620 | E | 23.7 | Very low | 33.5 | Very low | 163 Ų | 163 | 121.9 Ų | 121.9 | 76% | 0.762 | 69% | 0.688 | S | S | * | * | trans | -126.9 | 118.9 | 167 | -79.5 | -167.5 | 161.4 | 0 | 0 | 112.2 | L1618 | L1618-E1620 VanDerWaalsContact C-N 3.32Å; L1618-E1620 PolarHBondContact O-N 3.33Å | ||
| 1621 | S | 26.2 | Very low | 35.2 | Very low | 96 Ų | 96 | 117.2 Ų | 117.2 | 67% | 0.671 | 66% | 0.656 | S | S | * | * | trans | 49.2 | 97.1 | 146.5 | 60.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1622 | N | 29.3 | Very low | 37 | Very low | 150 Ų | 150 | 111.2 Ų | 111.2 | 80% | 0.802 | 62% | 0.619 | S | S | * | * | -164.5 | 77.7 | 125.2 | -91.6 | -30.1 | 0 | 0 | 0 | 109.6 | H1624 | N1622-H1624 PolarHBondContact O-N 3.37Š| |||
| 1623 | S | 35.7 | Very low | 39 | Very low | 90 Ų | 90 | 104.1 Ų | 104.1 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 1.3 | -176.3 | 51 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1624 | H | 35.3 | Very low | 41.1 | Very low | 155 Ų | 155 | 100.6 Ų | 100.6 | 72% | 0.718 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -10.2 | -179 | -71 | -51.3 | 0 | 0 | 0 | 115.4 | N1622 | N1622-H1624 PolarHBondContact O-N 3.37Š|
| 1625 | G | 38.2 | Very low | 43.5 | Very low | 55 Ų | 55 | 95 Ų | 95 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -80.7 | -25 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1626 | H | 38.8 | Very low | 45.9 | Very low | 143 Ų | 143 | 88.2 Ų | 88.2 | 66% | 0.662 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -79 | -24.7 | -169.8 | -78.4 | -77 | 0 | 0 | 0 | 115 | F1628 | H1626-F1628 VanDerWaalsContact C-N 3.34Å; H1626-F1628 PolarHBondContact O-N 2.88Å |
| 1627 | H | 43.7 | Very low | 48.4 | Very low | 144 Ų | 144 | 80 Ų | 80 | 67% | 0.667 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.1 | -30 | -176.2 | -72.1 | -61.4 | 0 | 0 | 0 | 113.9 | G1629 | H1627-G1629 VanDerWaalsContact C-N 3.35Å; H1627-G1629 PolarHBondContact O-N 3.36Å |
| 1628 | F | 43.9 | Very low | 50.7 | Low | 139 Ų | 139 | 75.4 Ų | 75.4 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.2 | -29.6 | -172.2 | -82.5 | -72 | 0 | 0 | 0 | 114.7 | H1626 S1631 L1632 | H1626-F1628 VanDerWaalsContact C-N 3.34Å; H1626-F1628 PolarHBondContact O-N 2.88Å; F1628-S1631 PolarHBondContact O-OG 3.39Å; F1628-L1632 PolarHBondContact O-N 3.04Å |
| 1629 | G | 54.3 | Low | 53.2 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -106.6 | -11 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | H1627 S1631 L1632 A1633 | H1627-G1629 VanDerWaalsContact C-N 3.35Å; H1627-G1629 PolarHBondContact O-N 3.36Å; G1629-S1631 VanDerWaalsContact C-N 3.26Å; G1629-L1632 PolarHBondContact O-N 2.9Å; G1629-A1633 VanDerWaalsContact O-CB 3.27Å; G1629-A1633 WeakPolarHBondContact O-CB 3.44Å; G1629-A1633 PolarHBondContact O-N 3.38Å |
| 1630 | S | 61.1 | Low | 55.4 | Low | 47 Ų | 47 | 61.3 Ų | 61.3 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 160 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | A1633 E1634 | S1630-A1633 PolarHBondContact O-N 3.24Å; S1630-E1634 WeakPolarHBondContact O-CB 3.24Å; S1630-E1634 PolarHBondContact O-N 2.88Å |
| 1631 | S | 64.7 | Low | 57.9 | Low | 16 Ų | 16 | 54 Ų | 54 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -35.1 | 176.8 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | G1557 R1562 F1628 G1629 E1634 S1635 | G1557-S1631 VanDerWaalsContact O-CB 3.24Å; G1557-S1631 WeakPolarHBondContact O-CB 3.42Å; G1557-S1631 PolarHBondContact O-OG 3.22Å; R1562-S1631 VanDerWaalsContact NH1-CB 3.28Å; F1628-S1631 PolarHBondContact O-OG 3.39Å; G1629-S1631 VanDerWaalsContact C-N 3.26Å; S1631-E1634 PolarHBondContact O-N 2.89Å; S1631-S1635 PolarHBondContact O-N 3.42Å |
| 1632 | L | 69 | Low | 60.5 | Low | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 174.4 | -169.6 | 69.4 | 0 | 0 | 0 | 111.7 | L1556 I1599 F1628 G1629 E1634 S1635 R1636 | L1556-L1632 HydrophobicContact CB-CD1 4.07Å; I1599-L1632 HydrophobicContact CD1-CD2 3.81Å; I1599-L1632 HydrophobicContact CG1-CD2 3.53Å; F1628-L1632 PolarHBondContact O-N 3.04Å; G1629-L1632 PolarHBondContact O-N 2.9Å; L1632-E1634 VanDerWaalsContact C-N 3.3Å; L1632-E1634 PolarHBondContact O-N 2.75Å; L1632-S1635 PolarHBondContact O-N 3.41Å; L1632-S1635 PolarHBondContact O-OG 3.43Å; L1632-R1636 WeakPolarHBondContact O-CG 3.05Å; L1632-R1636 PolarHBondContact O-N 3.32Å |
| 1633 | A | 68.6 | Low | 62.8 | Low | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1629 S1630 R1636 S1637 H1676 | G1629-A1633 VanDerWaalsContact O-CB 3.27Å; G1629-A1633 WeakPolarHBondContact O-CB 3.44Å; G1629-A1633 PolarHBondContact O-N 3.38Å; S1630-A1633 PolarHBondContact O-N 3.24Å; A1633-R1636 PolarHBondContact O-N 3.45Å; A1633-S1637 PolarHBondContact O-N 2.96Å; A1633-S1637 PolarHBondContact O-OG 3.05Å; A1633-H1676 PolarHBondContact O-CE1 3.38Å |
| 1634 | E | 71.5 | Confident | 64.6 | Low | 46 Ų | 46 | 38.3 Ų | 38.3 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 173.5 | 178.3 | 168.2 | -148.3 | 0 | 0 | 112 | R1562 S1630 S1631 L1632 R1636 S1637 L1638 H1714 | R1562-E1634 WeakPolarHBondContact CD-OE2 3.34Å; R1562-E1634 HydrophobicContact CG-CG 4.38Å; R1562-E1634 IonicContact CZ-OE2 3.56Å; R1562-E1634 IonicContact NE-OE2 2.93Å; R1562-E1634 IonicContact NH1-OE2 2.7Å; R1562-E1634 PolarHBondContact NH1-OE2 3.39Å; S1630-E1634 WeakPolarHBondContact O-CB 3.24Å; S1630-E1634 PolarHBondContact O-N 2.88Å; S1631-E1634 PolarHBondContact O-N 2.89Å; L1632-E1634 VanDerWaalsContact C-N 3.3Å; L1632-E1634 PolarHBondContact O-N 2.75Å; E1634-R1636 PolarHBondContact O-N 3.04Å; E1634-S1637 WeakPolarHBondContact O-CB 3.5Å; E1634-S1637 PolarHBondContact O-N 2.92Å; E1634-L1638 HydrophobicContact CG-CD1 4.19Å; E1634-L1638 WeakPolarHBondContact O-CG 3.46Å; E1634-L1638 PolarHBondContact O-N 2.85Å; E1634-H1714 WeakPolarHBondContact CG-NE2 3.14Å; E1634-H1714 IonicContact OE1-CD2 2.64Å; E1634-H1714 IonicContact OE1-CE1 3.53Å; E1634-H1714 IonicContact OE1-NE2 3.7Å; E1634-H1714 PolarHBondContact OE1-NE2 3.16Å |
| 1635 | S | 75.3 | Confident | 66.5 | Low | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.1 | 74 | 0 | 0 | 0 | 0 | 112.6 | L1556 L1565 S1631 L1632 S1637 L1638 A1639 | L1556-S1635 VanDerWaalsContact O-CB 3.31Å; L1556-S1635 WeakPolarHBondContact O-CB 3.41Å; L1556-S1635 PolarHBondContact O-OG 3.07Å; L1565-S1635 VanDerWaalsContact CD1-O 3.25Å; L1565-S1635 WeakPolarHBondContact CD1-O 3.4Å; S1631-S1635 PolarHBondContact O-N 3.42Å; L1632-S1635 PolarHBondContact O-N 3.41Å; L1632-S1635 PolarHBondContact O-OG 3.43Å; S1635-S1637 VanDerWaalsContact C-N 3.34Å; S1635-L1638 PolarHBondContact O-N 3.41Å; S1635-A1639 WeakPolarHBondContact O-CB 3.42Å; S1635-A1639 PolarHBondContact O-N 3.49Å |
| 1636 | R | 77.6 | Confident | 68.3 | Low | 6 Ų | 6 | 28.7 Ų | 28.7 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.2 | -72.7 | -178.8 | -93.8 | 138.6 | -8.5 | 111.8 | W1597 L1632 A1633 E1634 A1639 C1640 F1672 H1676 T1679 | W1597-R1636 HydrophobicContact CB-CG 4.44Å; W1597-R1636 HydrophobicContact CE3-CG 3.94Å; W1597-R1636 WeakPolarHBondContact O-CD 3.43Å; W1597-R1636 PolarHBondContact O-NE 3.25Å; L1632-R1636 WeakPolarHBondContact O-CG 3.05Å; L1632-R1636 PolarHBondContact O-N 3.32Å; A1633-R1636 PolarHBondContact O-N 3.45Å; E1634-R1636 PolarHBondContact O-N 3.04Å; R1636-A1639 PolarHBondContact O-N 2.78Å; R1636-C1640 PolarHBondContact O-N 3Å; R1636-C1640 VanDerWaalsContact O-N 3.1Å; R1636-C1640 PolarHBondContact O-SG 3.41Å; R1636-C1640 VanDerWaalsContact O-SG 3.34Å; R1636-F1672 HydrophobicContact CB-CZ 4.26Å; R1636-F1672 HydrophobicContact CG-CZ 4.06Å; R1636-H1676 VanDerWaalsContact CB-CE1 3.45Å; R1636-H1676 WeakPolarHBondContact CB-CE1 3.34Å; R1636-H1676 VanDerWaalsContact CB-ND1 3.26Å; R1636-H1676 WeakPolarHBondContact CB-ND1 3.36Å; R1636-H1676 PolarHBondContact NH1-ND1 3.5Å; R1636-T1679 PolarHBondContact NH1-OG1 3.05Å |
| 1637 | S | 75.6 | Confident | 69.9 | Low | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 174 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | A1633 E1634 S1635 A1639 C1640 L1641 H1676 T1712 | A1633-S1637 PolarHBondContact O-N 2.96Å; A1633-S1637 PolarHBondContact O-OG 3.05Å; E1634-S1637 WeakPolarHBondContact O-CB 3.5Å; E1634-S1637 PolarHBondContact O-N 2.92Å; S1635-S1637 VanDerWaalsContact C-N 3.34Å; S1637-A1639 VanDerWaalsContact C-N 3.33Å; S1637-A1639 PolarHBondContact O-N 3.34Å; S1637-C1640 PolarHBondContact O-N 3.19Å; S1637-L1641 WeakPolarHBondContact O-CG 3.48Å; S1637-L1641 PolarHBondContact O-N 2.92Å; S1637-H1676 PolarHBondContact OG-NE2 3.48Å; S1637-T1712 PolarHBondContact OG-O 3.45Å |
| 1638 | L | 77.9 | Confident | 71.2 | Confident | 26 Ų | 26 | 16.3 Ų | 16.3 | 14% | 0.136 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 177 | -73.7 | 168.3 | 0 | 0 | 0 | 112.7 | R1562 L1565 E1634 S1635 L1641 F1642 | R1562-L1638 HydrophobicContact CB-CD1 3.71Å; R1562-L1638 HydrophobicContact CG-CD1 4.01Å; L1565-L1638 HydrophobicContact CB-CB 3.91Å; L1565-L1638 HydrophobicContact CD1-CB 4.05Å; E1634-L1638 HydrophobicContact CG-CD1 4.19Å; E1634-L1638 WeakPolarHBondContact O-CG 3.46Å; E1634-L1638 PolarHBondContact O-N 2.85Å; S1635-L1638 PolarHBondContact O-N 3.41Å; L1638-L1641 HydrophobicContact CD2-CD1 4.07Å; L1638-L1641 PolarHBondContact O-N 3.42Å; L1638-F1642 WeakPolarHBondContact O-CB 3.13Å; L1638-F1642 PolarHBondContact O-N 3.35Å |
| 1639 | A | 78.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1565 W1597 S1635 R1636 S1637 L1641 F1642 F1643 F1672 | L1565-A1639 HydrophobicContact CD1-CB 4.18Å; L1565-A1639 HydrophobicContact CD2-CB 4.29Å; W1597-A1639 HydrophobicContact CH2-CB 3.6Å; W1597-A1639 HydrophobicContact CZ2-CB 4.29Å; W1597-A1639 HydrophobicContact CZ3-CB 3.83Å; S1635-A1639 WeakPolarHBondContact O-CB 3.42Å; S1635-A1639 PolarHBondContact O-N 3.49Å; R1636-A1639 PolarHBondContact O-N 2.78Å; S1637-A1639 VanDerWaalsContact C-N 3.33Å; S1637-A1639 PolarHBondContact O-N 3.34Å; A1639-L1641 PolarHBondContact O-N 3.11Å; A1639-F1642 WeakPolarHBondContact O-CB 3.11Å; A1639-F1642 PolarHBondContact O-N 3.04Å; A1639-F1643 HydrophobicContact CB-CE2 4.14Å; A1639-F1643 HydrophobicContact CB-CZ 4.21Å; A1639-F1643 WeakPolarHBondContact O-CD1 3.27Å; A1639-F1643 WeakPolarHBondContact O-CD2 3.18Å; A1639-F1643 WeakPolarHBondContact O-CG 3.27Å; A1639-F1643 PolarHBondContact O-N 3.02Å; A1639-F1672 HydrophobicContact CB-CE1 4.44Å |
| 1640 | C | 75 | Confident | 73.6 | Confident | 4 Ų | 4 | 10.4 Ų | 10.4 | 3% | 0.027 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.8 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | R1636 S1637 F1642 F1643 V1644 F1672 H1719 | R1636-C1640 PolarHBondContact O-N 3Å; R1636-C1640 VanDerWaalsContact O-N 3.1Å; R1636-C1640 PolarHBondContact O-SG 3.41Å; R1636-C1640 VanDerWaalsContact O-SG 3.34Å; S1637-C1640 PolarHBondContact O-N 3.19Å; C1640-F1642 VanDerWaalsContact C-N 3.31Å; C1640-F1642 PolarHBondContact O-N 3.26Å; C1640-F1643 WeakPolarHBondContact O-CB 3.33Å; C1640-F1643 PolarHBondContact O-N 3.34Å; C1640-V1644 WeakPolarHBondContact O-CG2 3.43Å; C1640-V1644 PolarHBondContact O-N 3.22Å; C1640-F1672 VanDerWaalsContact SG-CD1 3.59Å; C1640-F1672 VanDerWaalsContact SG-CE1 3.5Å; C1640-H1719 WeakPolarHBondContact CB-CE1 3.28Å; C1640-H1719 WeakPolarHBondContact CB-ND1 3.4Å; C1640-H1719 PolarHBondContact SG-CE1 3Å; C1640-H1719 PolarHBondContact SG-ND1 3.36Å; C1640-H1719 VanDerWaalsContact SG-ND1 3.39Å |
| 1641 | L | 74.6 | Confident | 74 | Confident | 10 Ų | 10 | 8.7 Ų | 8.7 | 5% | 0.052 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 172.9 | -76.3 | 169.2 | 0 | 0 | 0 | 112.1 | S1637 L1638 A1639 E1645 H1714 S1715 Q1718 | S1637-L1641 WeakPolarHBondContact O-CG 3.48Å; S1637-L1641 PolarHBondContact O-N 2.92Å; L1638-L1641 HydrophobicContact CD2-CD1 4.07Å; L1638-L1641 PolarHBondContact O-N 3.42Å; A1639-L1641 PolarHBondContact O-N 3.11Å; L1641-E1645 WeakPolarHBondContact O-CB 3.26Å; L1641-E1645 PolarHBondContact O-N 3.43Å; L1641-E1645 VanDerWaalsContact O-N 3.09Å; L1641-H1714 HydrophobicContact CD1-CB 4.05Å; L1641-S1715 WeakPolarHBondContact CD2-OG 3.26Å; L1641-Q1718 VanDerWaalsContact CD2-CD 3.42Å; L1641-Q1718 HydrophobicContact CD2-CG 4.37Å |
| 1642 | F | 82 | Confident | 73.9 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 174 | 164.9 | -104.7 | 0 | 0 | 0 | 111.6 | L1568 T1572 F1583 A1586 L1587 L1590 L1638 A1639 C1640 V1644 E1645 C1646 | L1568-F1642 HydrophobicContact CB-CD2 3.66Å; L1568-F1642 HydrophobicContact CB-CE2 3.63Å; L1568-F1642 HydrophobicContact CB-CG 4.39Å; L1568-F1642 HydrophobicContact CB-CZ 4.37Å; L1568-F1642 HydrophobicContact CG-CE2 4.48Å; T1572-F1642 WeakPolarHBondContact OG1-CD2 3.24Å; T1572-F1642 WeakPolarHBondContact OG1-CE2 3.26Å; F1583-F1642 HydrophobicContact CD1-CE2 4.27Å; F1583-F1642 HydrophobicContact CD1-CZ 4.4Å; F1583-F1642 HydrophobicContact CE1-CE2 4.39Å; A1586-F1642 HydrophobicContact CB-CZ 4.12Å; L1587-F1642 HydrophobicContact CD2-CE1 4.25Å; L1590-F1642 HydrophobicContact CD1-CD1 3.91Å; L1590-F1642 HydrophobicContact CD1-CE1 3.55Å; L1638-F1642 WeakPolarHBondContact O-CB 3.13Å; L1638-F1642 PolarHBondContact O-N 3.35Å; A1639-F1642 WeakPolarHBondContact O-CB 3.11Å; A1639-F1642 PolarHBondContact O-N 3.04Å; C1640-F1642 VanDerWaalsContact C-N 3.31Å; C1640-F1642 PolarHBondContact O-N 3.26Å; F1642-V1644 PolarHBondContact O-N 3.3Å; F1642-E1645 PolarHBondContact O-N 3.42Å; F1642-C1646 WeakPolarHBondContact CE2-SG 3.49Å; F1642-C1646 WeakPolarHBondContact CZ-SG 3.45Å; F1642-C1646 WeakPolarHBondContact O-CB 3.47Å; F1642-C1646 PolarHBondContact O-N 3.22Å; F1642-C1646 PolarHBondContact O-SG 2.95Å |
| 1643 | F | 77.8 | Confident | 73.8 | Confident | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 178.7 | -60.4 | -31 | 0 | 0 | 0 | 112.5 | L1587 L1590 A1639 C1640 C1646 L1647 W1668 L1669 F1672 | L1587-F1643 HydrophobicContact CD2-CD1 3.35Å; L1587-F1643 HydrophobicContact CD2-CE1 3.86Å; L1587-F1643 HydrophobicContact CD2-CG 4.28Å; L1590-F1643 HydrophobicContact CB-CE1 4.13Å; L1590-F1643 HydrophobicContact CB-CZ 4.17Å; L1590-F1643 HydrophobicContact CD1-CE1 3.66Å; L1590-F1643 HydrophobicContact CD1-CZ 4.29Å; A1639-F1643 HydrophobicContact CB-CE2 4.14Å; A1639-F1643 HydrophobicContact CB-CZ 4.21Å; A1639-F1643 WeakPolarHBondContact O-CD1 3.27Å; A1639-F1643 WeakPolarHBondContact O-CD2 3.18Å; A1639-F1643 WeakPolarHBondContact O-CG 3.27Å; A1639-F1643 PolarHBondContact O-N 3.02Å; C1640-F1643 WeakPolarHBondContact O-CB 3.33Å; C1640-F1643 PolarHBondContact O-N 3.34Å; F1643-C1646 WeakPolarHBondContact O-CB 3.46Å; F1643-C1646 PolarHBondContact O-N 3.4Å; F1643-L1647 WeakPolarHBondContact O-CG 3.1Å; F1643-L1647 PolarHBondContact O-N 2.9Å; F1643-W1668 HydrophobicContact CE2-CZ3 4.09Å; F1643-W1668 HydrophobicContact CZ-CZ3 4.13Å; F1643-L1669 HydrophobicContact CB-CD2 3.97Å; F1643-L1669 HydrophobicContact CD1-CD2 3.76Å; F1643-L1669 HydrophobicContact CD2-CD2 3.29Å; F1643-L1669 HydrophobicContact CE1-CD2 3.96Å; F1643-L1669 HydrophobicContact CE2-CD2 3.56Å; F1643-L1669 HydrophobicContact CG-CD2 3.41Å; F1643-L1669 VanDerWaalsContact CG-CD2 3.41Å; F1643-L1669 HydrophobicContact CZ-CD2 3.88Å; F1643-F1672 AromaticContact CE2-CD1 3.92Å; F1643-F1672 HydrophobicContact CE2-CD1 3.92Å; F1643-F1672 AromaticContact CE2-CE1 3.97Å; F1643-F1672 HydrophobicContact CE2-CE1 3.97Å |
| 1644 | V | 72.1 | Confident | 73.7 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.024 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.5 | -43.6 | -179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | C1640 F1642 C1646 L1647 Q1648 Q1718 L1722 | C1640-V1644 WeakPolarHBondContact O-CG2 3.43Å; C1640-V1644 PolarHBondContact O-N 3.22Å; F1642-V1644 PolarHBondContact O-N 3.3Å; V1644-C1646 PolarHBondContact O-N 3.48Å; V1644-L1647 PolarHBondContact O-N 2.81Å; V1644-Q1648 HydrophobicContact CG1-CG 4.34Å; V1644-Q1648 WeakPolarHBondContact O-CB 3.39Å; V1644-Q1648 VanDerWaalsContact O-CG 3.31Å; V1644-Q1648 WeakPolarHBondContact O-CG 3.31Å; V1644-Q1648 PolarHBondContact O-N 3.47Å; V1644-Q1718 HydrophobicContact CB-CB 3.95Å; V1644-Q1718 HydrophobicContact CB-CG 4.3Å; V1644-Q1718 HydrophobicContact CG1-CB 3.87Å; V1644-Q1718 HydrophobicContact CG1-CG 3.83Å; V1644-Q1718 HydrophobicContact CG2-CB 3.66Å; V1644-Q1718 VanDerWaalsContact CG2-O 3.28Å; V1644-Q1718 WeakPolarHBondContact CG2-O 3.37Å; V1644-L1722 HydrophobicContact CG2-CD1 3.82Å |
| 1645 | E | 76.1 | Confident | 73.1 | Confident | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.1 | -33.9 | 175.2 | -163.9 | 87 | -143.2 | 0 | 0 | 111.5 | R1569 T1572 K1573 L1641 F1642 R1649 | R1569-E1645 HydrophobicContact CG-CB 4.12Å; R1569-E1645 HydrophobicContact CG-CG 4.12Å; R1569-E1645 IonicContact CZ-OE2 2.61Å; R1569-E1645 IonicContact NE-OE2 3.87Å; R1569-E1645 PolarHBondContact NE-OE2 3.44Å; R1569-E1645 IonicContact NH2-OE2 3.45Å; R1569-E1645 PolarHBondContact NH2-OE2 3.39Å; T1572-E1645 HydrophobicContact CG2-CB 4.33Å; T1572-E1645 HydrophobicContact CG2-CG 4.16Å; T1572-E1645 WeakPolarHBondContact CG2-O 3.36Å; K1573-E1645 WeakPolarHBondContact CE-OE2 3.37Å; K1573-E1645 HydrophobicContact CG-CG 3.97Å; K1573-E1645 WeakPolarHBondContact CG-OE1 3.36Å; L1641-E1645 WeakPolarHBondContact O-CB 3.26Å; L1641-E1645 PolarHBondContact O-N 3.43Å; L1641-E1645 VanDerWaalsContact O-N 3.09Å; F1642-E1645 PolarHBondContact O-N 3.42Å; E1645-R1649 PolarHBondContact O-N 3.43Å; E1645-R1649 IonicContact OE1-CZ 2.97Å; E1645-R1649 VanDerWaalsContact OE1-CZ 3.28Å; E1645-R1649 IonicContact OE1-NE 3.8Å; E1645-R1649 PolarHBondContact OE1-NE 3.22Å; E1645-R1649 IonicContact OE1-NH2 3.25Å; E1645-R1649 PolarHBondContact OE1-NH2 3.09Å |
| 1646 | C | 76.5 | Confident | 72.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -53 | 173.7 | -75.3 | 0 | 0 | 0 | 0 | 110.6 | T1572 L1587 F1642 F1643 V1644 Q1648 R1649 L1650 | T1572-C1646 HydrophobicContact CG2-CB 4.06Å; T1572-C1646 WeakPolarHBondContact CG2-SG 3.41Å; L1587-C1646 HydrophobicContact CD1-CB 4.44Å; L1587-C1646 HydrophobicContact CD2-CB 4.46Å; F1642-C1646 WeakPolarHBondContact CE2-SG 3.49Å; F1642-C1646 WeakPolarHBondContact CZ-SG 3.45Å; F1642-C1646 WeakPolarHBondContact O-CB 3.47Å; F1642-C1646 PolarHBondContact O-N 3.22Å; F1642-C1646 PolarHBondContact O-SG 2.95Å; F1643-C1646 WeakPolarHBondContact O-CB 3.46Å; F1643-C1646 PolarHBondContact O-N 3.4Å; V1644-C1646 PolarHBondContact O-N 3.48Å; C1646-Q1648 VanDerWaalsContact C-N 3.31Å; C1646-Q1648 PolarHBondContact O-N 3.3Å; C1646-R1649 PolarHBondContact O-N 3.11Å; C1646-L1650 WeakPolarHBondContact O-CB 3.35Å; C1646-L1650 WeakPolarHBondContact O-CG 3.45Å; C1646-L1650 PolarHBondContact O-N 3.26Å |
| 1647 | L | 71 | Confident | 71.2 | Confident | 11 Ų | 11 | 22.2 Ų | 22.2 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.9 | -32.1 | -176 | -66.5 | 166.4 | 0 | 0 | 0 | 112.6 | F1643 V1644 R1649 L1650 L1655 L1666 L1669 L1722 | F1643-L1647 WeakPolarHBondContact O-CG 3.1Å; F1643-L1647 PolarHBondContact O-N 2.9Å; V1644-L1647 PolarHBondContact O-N 2.81Å; L1647-R1649 VanDerWaalsContact C-N 3.31Å; L1647-R1649 PolarHBondContact O-N 2.97Å; L1647-L1650 HydrophobicContact CD2-CD1 4.34Å; L1647-L1655 HydrophobicContact CD2-CD2 3.37Å; L1647-L1655 WeakPolarHBondContact O-CD1 3.33Å; L1647-L1666 HydrophobicContact CD1-CD2 3.62Å; L1647-L1666 HydrophobicContact CD2-CD2 3.81Å; L1647-L1666 HydrophobicContact CG-CD2 4.39Å; L1647-L1669 HydrophobicContact CD1-CD1 4.14Å; L1647-L1722 HydrophobicContact CD1-CD1 3.15Å; L1647-L1722 HydrophobicContact CD1-CG 4.16Å; L1647-L1722 HydrophobicContact CG-CD1 4.49Å |
| 1648 | Q | 71.4 | Confident | 70 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.3 | -23.2 | 176.6 | -74.8 | 175.6 | -15.5 | 0 | 0 | 114.5 | H1507 V1644 C1646 I1725 | H1507-Q1648 PolarHBondContact CE1-O 3.32Å; H1507-Q1648 PolarHBondContact NE2-O 2.84Å; V1644-Q1648 HydrophobicContact CG1-CG 4.34Å; V1644-Q1648 WeakPolarHBondContact O-CB 3.39Å; V1644-Q1648 VanDerWaalsContact O-CG 3.31Å; V1644-Q1648 WeakPolarHBondContact O-CG 3.31Å; V1644-Q1648 PolarHBondContact O-N 3.47Å; C1646-Q1648 VanDerWaalsContact C-N 3.31Å; C1646-Q1648 PolarHBondContact O-N 3.3Å; Q1648-I1725 HydrophobicContact CG-CD1 4.5Å |
| 1649 | R | 74.9 | Confident | 69.1 | Low | 14 Ų | 14 | 29.9 Ų | 29.9 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -112.5 | -13.3 | -173.5 | -64.9 | -173.1 | -175.9 | -118.4 | -3 | 113.8 | T1572 K1573 A1576 Y1577 E1645 C1646 L1647 | T1572-R1649 WeakPolarHBondContact O-CD 3.46Å; K1573-R1649 VanDerWaalsContact CA-CZ 3.46Å; K1573-R1649 VanDerWaalsContact CA-NH1 3.35Å; K1573-R1649 PolarHBondContact O-NH1 2.92Å; A1576-R1649 HydrophobicContact CB-CB 3.82Å; Y1577-R1649 WeakPolarHBondContact CA-O 3.48Å; Y1577-R1649 WeakPolarHBondContact CB-O 3.43Å; Y1577-R1649 PolarHBondContact N-O 2.89Å; E1645-R1649 PolarHBondContact O-N 3.43Å; E1645-R1649 IonicContact OE1-CZ 2.97Å; E1645-R1649 VanDerWaalsContact OE1-CZ 3.28Å; E1645-R1649 IonicContact OE1-NE 3.8Å; E1645-R1649 PolarHBondContact OE1-NE 3.22Å; E1645-R1649 IonicContact OE1-NH2 3.25Å; E1645-R1649 PolarHBondContact OE1-NH2 3.09Å; C1646-R1649 PolarHBondContact O-N 3.11Å; L1647-R1649 VanDerWaalsContact C-N 3.31Å; L1647-R1649 PolarHBondContact O-N 2.97Å |
| 1650 | L | 73.7 | Confident | 68.3 | Low | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -61.9 | 140.5 | 171.3 | -84.3 | 170.4 | 0 | 0 | 0 | 110.2 | P1580 M1584 C1646 L1647 S1654 L1655 | P1580-L1650 HydrophobicContact CB-CD2 3.56Å; M1584-L1650 HydrophobicContact CG-CD2 4.45Å; M1584-L1650 HydrophobicContact SD-CD1 3.71Å; C1646-L1650 WeakPolarHBondContact O-CB 3.35Å; C1646-L1650 WeakPolarHBondContact O-CG 3.45Å; C1646-L1650 PolarHBondContact O-N 3.26Å; L1647-L1650 HydrophobicContact CD2-CD1 4.34Å; L1650-S1654 WeakPolarHBondContact CB-OG 3.28Å; L1650-L1655 HydrophobicContact CD1-CD2 4.45Å |
| 1651 | P | 70.5 | Confident | 67.9 | Low | 12 Ų | 12 | 36.4 Ų | 36.4 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | trans | -61 | 139.8 | 176.2 | 25.3 | -30.5 | 0 | 0 | 0 | 109.2 | Y1577 P1580 Q1653 S1654 | Y1577-P1651 HydrophobicContact CD2-CB 4.38Å; Y1577-P1651 HydrophobicContact CE2-CB 4.23Å; P1580-P1651 HydrophobicContact CB-CG 3.89Å; P1580-P1651 HydrophobicContact CG-CG 3.97Å; P1651-Q1653 PolarHBondContact O-N 3Å; P1651-S1654 WeakPolarHBondContact O-CB 3.46Å; P1651-S1654 PolarHBondContact O-N 3.09Å; P1651-S1654 PolarHBondContact O-OG 3.16Å | ||
| 1652 | P | 63.1 | Low | 67.5 | Low | 32 Ų | 32 | 36.4 Ų | 36.4 | 21% | 0.208 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -58.3 | -25.1 | -172.7 | 19.9 | -32.4 | 0 | 0 | 0 | 113.6 | L1504 S1654 L1655 | L1504-P1652 HydrophobicContact CD2-CB 3.45Å; L1504-P1652 VanDerWaalsContact CD2-CB 3.45Å; L1504-P1652 HydrophobicContact CD2-CG 3.41Å; L1504-P1652 VanDerWaalsContact CD2-CG 3.41Å; P1652-S1654 PolarHBondContact O-N 3.34Å; P1652-L1655 PolarHBondContact O-N 3.03Å; P1652-L1655 VanDerWaalsContact O-N 3.16Å |
| 1653 | Q | 65.7 | Low | 66.5 | Low | 166 Ų | 166 | 38.1 Ų | 38.1 | 78% | 0.776 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -61.3 | -29.9 | 173.7 | -65.9 | 155.1 | -14.5 | 0 | 0 | 113.1 | P1651 | P1651-Q1653 PolarHBondContact O-N 3Š|
| 1654 | S | 66.3 | Low | 66 | Low | 26 Ų | 26 | 41 Ų | 41 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -82.2 | -15.2 | 178.1 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | L1650 P1651 P1652 T1662 | L1650-S1654 WeakPolarHBondContact CB-OG 3.28Å; P1651-S1654 WeakPolarHBondContact O-CB 3.46Å; P1651-S1654 PolarHBondContact O-N 3.09Å; P1651-S1654 PolarHBondContact O-OG 3.16Å; P1652-S1654 PolarHBondContact O-N 3.34Å; S1654-T1662 WeakPolarHBondContact O-CG2 3.36Å |
| 1655 | L | 58.7 | Low | 66.1 | Low | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -95.6 | 9.3 | 176.2 | -61 | 173.1 | 0 | 0 | 0 | 112.3 | L1647 L1650 P1652 P1657 | L1647-L1655 HydrophobicContact CD2-CD2 3.37Å; L1647-L1655 WeakPolarHBondContact O-CD1 3.33Å; L1650-L1655 HydrophobicContact CD1-CD2 4.45Å; P1652-L1655 PolarHBondContact O-N 3.03Å; P1652-L1655 VanDerWaalsContact O-N 3.16Å; L1655-P1657 WeakPolarHBondContact O-CD 3.37Å |
| 1656 | Y | 59.9 | Low | 65.7 | Low | 90 Ų | 90 | 43 Ų | 43 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | trans | -62.2 | 122.3 | -174.5 | -146.2 | -104.2 | 0 | 0 | 0 | 110.3 | E1658 A1659 T1662 K1733 | Y1656-E1658 VanDerWaalsContact C-N 3.29Å; Y1656-E1658 HydrophobicContact CD1-CB 4.06Å; Y1656-E1658 HydrophobicContact CD1-CG 4.36Å; Y1656-E1658 HydrophobicContact CE1-CB 4.25Å; Y1656-E1658 HydrophobicContact CE1-CG 4.13Å; Y1656-E1658 PolarHBondContact O-N 3.45Å; Y1656-A1659 PolarHBondContact O-N 2.96Å; Y1656-T1662 PolarHBondContact O-OG1 3.49Å; Y1656-K1733 WeakPolarHBondContact OH-CE 3.41Å; Y1656-K1733 PolarHBondContact OH-NZ 3.03Å | ||
| 1657 | P | 54.2 | Low | 65.3 | Low | 23 Ų | 23 | 43.7 Ų | 43.7 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.8 | -169.5 | 25.6 | -32.9 | 0 | 0 | 0 | 113.7 | L1655 A1659 T1663 Q1730 | L1655-P1657 WeakPolarHBondContact O-CD 3.37Å; P1657-A1659 PolarHBondContact O-N 3.19Å; P1657-T1663 HydrophobicContact CB-CG2 4.46Å; P1657-T1663 WeakPolarHBondContact O-CG2 3.46Å; P1657-Q1730 HydrophobicContact CB-CG 3.54Å; P1657-Q1730 HydrophobicContact CG-CG 3.64Å |
| 1658 | E | 50.3 | Low | 65.6 | Low | 139 Ų | 139 | 43.5 Ų | 43.5 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.5 | 178.6 | -68.1 | 173.9 | -166.6 | 0 | 0 | 112.9 | Y1656 S1660 K1733 | Y1656-E1658 VanDerWaalsContact C-N 3.29Å; Y1656-E1658 HydrophobicContact CD1-CB 4.06Å; Y1656-E1658 HydrophobicContact CD1-CG 4.36Å; Y1656-E1658 HydrophobicContact CE1-CB 4.25Å; Y1656-E1658 HydrophobicContact CE1-CG 4.13Å; Y1656-E1658 PolarHBondContact O-N 3.45Å; E1658-S1660 PolarHBondContact O-N 3.22Å; E1658-K1733 IonicContact OE1-NZ 3.98Å; E1658-K1733 PolarHBondContact OE1-NZ 3.46Å |
| 1659 | A | 59 | Low | 65.7 | Low | 48 Ų | 48 | 42.8 Ų | 42.8 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -77.3 | 108.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y1656 P1657 A1661 T1662 T1663 | Y1656-A1659 PolarHBondContact O-N 2.96Å; P1657-A1659 PolarHBondContact O-N 3.19Å; A1659-A1661 PolarHBondContact O-N 3.42Å; A1659-T1662 HydrophobicContact CB-CG2 4.1Å; A1659-T1662 PolarHBondContact O-N 3.22Å; A1659-T1662 PolarHBondContact O-OG1 3.39Å; A1659-T1663 PolarHBondContact O-N 3.32Å |
| 1660 | S | 61.4 | Low | 65.5 | Low | 99 Ų | 99 | 42.2 Ų | 42.2 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -45.8 | -37.2 | -179.4 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | E1658 T1662 T1663 S1664 | E1658-S1660 PolarHBondContact O-N 3.22Å; S1660-T1662 PolarHBondContact O-N 2.96Å; S1660-T1663 PolarHBondContact O-N 3.07Å; S1660-T1663 PolarHBondContact O-OG1 3Å; S1660-S1664 PolarHBondContact O-N 3.27Å; S1660-S1664 VanDerWaalsContact O-N 3.11Å; S1660-S1664 PolarHBondContact O-OG 2.71Å |
| 1661 | A | 67 | Low | 65.4 | Low | 42 Ų | 42 | 42.3 Ų | 42.3 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.6 | -32.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1659 S1664 R1665 | A1659-A1661 PolarHBondContact O-N 3.42Å; A1661-S1664 WeakPolarHBondContact CA-OG 3.31Å; A1661-S1664 PolarHBondContact O-OG 3.37Å; A1661-R1665 VanDerWaalsContact O-CD 3.3Å; A1661-R1665 WeakPolarHBondContact O-CD 3.06Å; A1661-R1665 WeakPolarHBondContact O-CG 3.39Å; A1661-R1665 PolarHBondContact O-N 3.22Å |
| 1662 | T | 65.9 | Low | 65.8 | Low | 10 Ų | 10 | 41.7 Ų | 41.7 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.7 | -41.7 | 177.2 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | M1584 S1654 Y1656 A1659 S1660 S1664 R1665 L1666 | M1584-T1662 HydrophobicContact CE-CG2 4.15Å; S1654-T1662 WeakPolarHBondContact O-CG2 3.36Å; Y1656-T1662 PolarHBondContact O-OG1 3.49Å; A1659-T1662 HydrophobicContact CB-CG2 4.1Å; A1659-T1662 PolarHBondContact O-N 3.22Å; A1659-T1662 PolarHBondContact O-OG1 3.39Å; S1660-T1662 PolarHBondContact O-N 2.96Å; T1662-S1664 PolarHBondContact O-N 3.1Å; T1662-R1665 WeakPolarHBondContact O-CB 3.37Å; T1662-R1665 PolarHBondContact O-N 2.92Å; T1662-L1666 WeakPolarHBondContact O-CG 3.45Å; T1662-L1666 PolarHBondContact O-N 3.19Å |
| 1663 | T | 61.8 | Low | 66.3 | Low | 37 Ų | 37 | 40.4 Ų | 40.4 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 176.4 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | P1657 A1659 S1660 L1666 S1667 | P1657-T1663 HydrophobicContact CB-CG2 4.46Å; P1657-T1663 WeakPolarHBondContact O-CG2 3.46Å; A1659-T1663 PolarHBondContact O-N 3.32Å; S1660-T1663 PolarHBondContact O-N 3.07Å; S1660-T1663 PolarHBondContact O-OG1 3Å; T1663-L1666 PolarHBondContact O-N 3.34Å; T1663-S1667 WeakPolarHBondContact O-CB 3.42Å; T1663-S1667 PolarHBondContact O-N 2.86Å |
| 1664 | S | 67.5 | Low | 66.6 | Low | 64 Ų | 64 | 32.7 Ų | 32.7 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.9 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | S1660 A1661 T1662 S1667 W1668 | S1660-S1664 PolarHBondContact O-N 3.27Å; S1660-S1664 VanDerWaalsContact O-N 3.11Å; S1660-S1664 PolarHBondContact O-OG 2.71Å; A1661-S1664 WeakPolarHBondContact CA-OG 3.31Å; A1661-S1664 PolarHBondContact O-OG 3.37Å; T1662-S1664 PolarHBondContact O-N 3.1Å; S1664-S1667 PolarHBondContact O-N 2.86Å; S1664-W1668 PolarHBondContact O-N 3.45Å |
| 1665 | R | 73.1 | Confident | 66.9 | Low | 42 Ų | 42 | 31.7 Ų | 31.7 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 173.8 | -70.9 | 165.1 | -177.3 | 137.3 | -4 | 111.9 | D1588 M1591 A1661 T1662 S1667 W1668 L1669 | D1588-R1665 VanDerWaalsContact CG-NH2 3.34Å; D1588-R1665 IonicContact OD1-CZ 3.39Å; D1588-R1665 IonicContact OD1-NE 3.7Å; D1588-R1665 PolarHBondContact OD1-NE 3.37Å; D1588-R1665 IonicContact OD1-NH2 3.19Å; D1588-R1665 PolarHBondContact OD1-NH2 3.02Å; D1588-R1665 IonicContact OD2-CZ 2.76Å; D1588-R1665 IonicContact OD2-NE 3.58Å; D1588-R1665 IonicContact OD2-NH2 3.76Å; D1588-R1665 PolarHBondContact OD2-NH2 3.49Å; M1591-R1665 HydrophobicContact CE-CB 4.18Å; M1591-R1665 HydrophobicContact CE-CG 3.88Å; M1591-R1665 HydrophobicContact SD-CB 3.93Å; M1591-R1665 HydrophobicContact SD-CG 3.7Å; A1661-R1665 VanDerWaalsContact O-CD 3.3Å; A1661-R1665 WeakPolarHBondContact O-CD 3.06Å; A1661-R1665 WeakPolarHBondContact O-CG 3.39Å; A1661-R1665 PolarHBondContact O-N 3.22Å; T1662-R1665 WeakPolarHBondContact O-CB 3.37Å; T1662-R1665 PolarHBondContact O-N 2.92Å; R1665-S1667 PolarHBondContact O-N 2.91Å; R1665-W1668 PolarHBondContact O-N 2.98Å; R1665-L1669 WeakPolarHBondContact O-CB 3.49Å; R1665-L1669 WeakPolarHBondContact O-CG 3.29Å; R1665-L1669 PolarHBondContact O-N 3.01Å |
| 1666 | L | 68.1 | Low | 67.7 | Low | 11 Ų | 11 | 30.7 Ų | 30.7 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -37.5 | -178.4 | -68.8 | 169 | 0 | 0 | 0 | 112.1 | L1647 T1662 T1663 L1669 L1670 H1726 W1748 | L1647-L1666 HydrophobicContact CD1-CD2 3.62Å; L1647-L1666 HydrophobicContact CD2-CD2 3.81Å; L1647-L1666 HydrophobicContact CG-CD2 4.39Å; T1662-L1666 WeakPolarHBondContact O-CG 3.45Å; T1662-L1666 PolarHBondContact O-N 3.19Å; T1663-L1666 PolarHBondContact O-N 3.34Å; L1666-L1669 HydrophobicContact CD2-CD1 4.48Å; L1666-L1669 PolarHBondContact O-N 3.48Å; L1666-L1670 WeakPolarHBondContact O-CB 3.49Å; L1666-L1670 PolarHBondContact O-N 2.94Å; L1666-H1726 HydrophobicContact CD1-CB 4.27Å; L1666-H1726 WeakPolarHBondContact CD1-CD2 3.39Å; L1666-W1748 HydrophobicContact CB-CZ3 4.33Å |
| 1667 | S | 68.4 | Low | 68.2 | Low | 14 Ų | 14 | 26.6 Ų | 26.6 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 172.7 | -175 | 0 | 0 | 0 | 0 | 112.9 | T1663 S1664 R1665 S1671 Q1693 W1748 | T1663-S1667 WeakPolarHBondContact O-CB 3.42Å; T1663-S1667 PolarHBondContact O-N 2.86Å; S1664-S1667 PolarHBondContact O-N 2.86Å; R1665-S1667 PolarHBondContact O-N 2.91Å; S1667-S1671 WeakPolarHBondContact O-CB 3.36Å; S1667-S1671 PolarHBondContact O-N 3.42Å; S1667-S1671 PolarHBondContact O-OG 3.2Å; S1667-Q1693 PolarHBondContact OG-NE2 2.94Å; S1667-W1748 PolarHBondContact OG-O 3.23Å |
| 1668 | W | 76 | Confident | 68.9 | Low | 8 Ų | 8 | 26.5 Ų | 26.5 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 175.9 | -173.6 | 97.5 | 0 | 0 | 0 | 111.8 | M1591 P1594 F1643 S1664 R1665 L1670 S1671 F1672 | M1591-W1668 HydrophobicContact CB-CD2 4.18Å; M1591-W1668 HydrophobicContact CB-CE3 4.33Å; M1591-W1668 HydrophobicContact CB-CH2 4.46Å; M1591-W1668 HydrophobicContact CB-CZ2 4.3Å; M1591-W1668 HydrophobicContact CB-CZ3 4.47Å; M1591-W1668 HydrophobicContact CE-CB 3.7Å; M1591-W1668 HydrophobicContact CE-CD2 4.29Å; M1591-W1668 HydrophobicContact CE-CG 3.9Å; M1591-W1668 HydrophobicContact CG-CD2 3.7Å; M1591-W1668 HydrophobicContact CG-CE3 3.44Å; M1591-W1668 VanDerWaalsContact CG-CE3 3.44Å; M1591-W1668 HydrophobicContact CG-CG 4.3Å; M1591-W1668 HydrophobicContact CG-CH2 4.11Å; M1591-W1668 HydrophobicContact CG-CZ2 4.33Å; M1591-W1668 HydrophobicContact CG-CZ3 3.67Å; M1591-W1668 HydrophobicContact SD-CE3 4.28Å; P1594-W1668 HydrophobicContact CB-CZ2 3.73Å; P1594-W1668 HydrophobicContact CG-CZ2 4.36Å; F1643-W1668 HydrophobicContact CE2-CZ3 4.09Å; F1643-W1668 HydrophobicContact CZ-CZ3 4.13Å; S1664-W1668 PolarHBondContact O-N 3.45Å; R1665-W1668 PolarHBondContact O-N 2.98Å; W1668-L1670 VanDerWaalsContact C-N 3.3Å; W1668-L1670 PolarHBondContact O-N 2.75Å; W1668-S1671 WeakPolarHBondContact O-CB 3.27Å; W1668-S1671 PolarHBondContact O-N 3.4Å; W1668-F1672 HydrophobicContact CE3-CB 4.09Å; W1668-F1672 HydrophobicContact CH2-CB 4.31Å; W1668-F1672 AromaticContact CH2-CD2 3.96Å; W1668-F1672 HydrophobicContact CH2-CD2 3.96Å; W1668-F1672 HydrophobicContact CH2-CE2 4.48Å; W1668-F1672 HydrophobicContact CH2-CG 4.09Å; W1668-F1672 HydrophobicContact CZ2-CD2 4.39Å; W1668-F1672 HydrophobicContact CZ3-CB 3.95Å; W1668-F1672 HydrophobicContact CZ3-CD1 4.49Å; W1668-F1672 HydrophobicContact CZ3-CD2 4.36Å; W1668-F1672 HydrophobicContact CZ3-CG 4.03Å; W1668-F1672 WeakPolarHBondContact O-CB 3.4Å; W1668-F1672 PolarHBondContact O-N 3.41Å |
| 1669 | L | 73.8 | Confident | 69.8 | Low | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.6 | -38.7 | -178.4 | -69 | 168.9 | 0 | 0 | 0 | 111.6 | F1643 L1647 R1665 L1666 A1673 L1722 | F1643-L1669 HydrophobicContact CB-CD2 3.97Å; F1643-L1669 HydrophobicContact CD1-CD2 3.76Å; F1643-L1669 HydrophobicContact CD2-CD2 3.29Å; F1643-L1669 HydrophobicContact CE1-CD2 3.96Å; F1643-L1669 HydrophobicContact CE2-CD2 3.56Å; F1643-L1669 HydrophobicContact CG-CD2 3.41Å; F1643-L1669 VanDerWaalsContact CG-CD2 3.41Å; F1643-L1669 HydrophobicContact CZ-CD2 3.88Å; L1647-L1669 HydrophobicContact CD1-CD1 4.14Å; R1665-L1669 WeakPolarHBondContact O-CB 3.49Å; R1665-L1669 WeakPolarHBondContact O-CG 3.29Å; R1665-L1669 PolarHBondContact O-N 3.01Å; L1666-L1669 HydrophobicContact CD2-CD1 4.48Å; L1666-L1669 PolarHBondContact O-N 3.48Å; L1669-A1673 VanDerWaalsContact O-CB 3.31Å; L1669-A1673 WeakPolarHBondContact O-CB 3.38Å; L1669-A1673 PolarHBondContact O-N 3.16Å; L1669-L1722 HydrophobicContact CB-CD2 3.46Å; L1669-L1722 VanDerWaalsContact CB-CD2 3.46Å |
| 1670 | L | 70.6 | Confident | 70.1 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 173.8 | 179.4 | 66.6 | 0 | 0 | 0 | 111.5 | L1666 W1668 F1672 A1673 L1674 A1723 W1748 L1749 V1768 | L1666-L1670 WeakPolarHBondContact O-CB 3.49Å; L1666-L1670 PolarHBondContact O-N 2.94Å; W1668-L1670 VanDerWaalsContact C-N 3.3Å; W1668-L1670 PolarHBondContact O-N 2.75Å; L1670-F1672 VanDerWaalsContact C-N 3.3Å; L1670-F1672 PolarHBondContact O-N 2.99Å; L1670-A1673 PolarHBondContact O-N 3.14Å; L1670-L1674 HydrophobicContact CD1-CD1 4.16Å; L1670-L1674 HydrophobicContact CD1-CG 4.3Å; L1670-L1674 HydrophobicContact CG-CD1 4Å; L1670-L1674 WeakPolarHBondContact O-CG 3.25Å; L1670-L1674 PolarHBondContact O-N 2.73Å; L1670-A1723 HydrophobicContact CD1-CB 3.59Å; L1670-A1723 HydrophobicContact CD2-CB 4.46Å; L1670-W1748 HydrophobicContact CB-CZ3 3.8Å; L1670-W1748 HydrophobicContact CD2-CE3 4.01Å; L1670-W1748 HydrophobicContact CD2-CH2 3.8Å; L1670-W1748 HydrophobicContact CD2-CZ2 4.46Å; L1670-W1748 HydrophobicContact CD2-CZ3 3.51Å; L1670-W1748 HydrophobicContact CG-CZ3 4.22Å; L1670-L1749 HydrophobicContact CD2-CD2 3.45Å; L1670-L1749 VanDerWaalsContact CD2-CD2 3.45Å; L1670-L1749 HydrophobicContact CD2-CG 4.27Å; L1670-V1768 HydrophobicContact CD2-CG1 4.12Å |
| 1671 | S | 72.4 | Confident | 70.2 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.014 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | S1667 W1668 L1674 D1675 | S1667-S1671 WeakPolarHBondContact O-CB 3.36Å; S1667-S1671 PolarHBondContact O-N 3.42Å; S1667-S1671 PolarHBondContact O-OG 3.2Å; W1668-S1671 WeakPolarHBondContact O-CB 3.27Å; W1668-S1671 PolarHBondContact O-N 3.4Å; S1671-L1674 PolarHBondContact O-N 2.93Å; S1671-D1675 WeakPolarHBondContact O-CB 3.06Å; S1671-D1675 PolarHBondContact O-N 2.63Å |
| 1672 | F | 78.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 175.2 | -179.2 | -98 | 0 | 0 | 0 | 112.3 | W1597 W1598 R1636 A1639 C1640 F1643 W1668 L1670 L1674 H1676 | W1597-F1672 HydrophobicContact CB-CE2 3.78Å; W1597-F1672 HydrophobicContact CB-CZ 4.3Å; W1597-F1672 HydrophobicContact CD2-CE2 4.15Å; W1597-F1672 AromaticContact CD2-CZ 3.97Å; W1597-F1672 HydrophobicContact CD2-CZ 3.97Å; W1597-F1672 HydrophobicContact CE3-CZ 4.2Å; W1597-F1672 AromaticContact CG-CE2 3.71Å; W1597-F1672 HydrophobicContact CG-CE2 3.71Å; W1597-F1672 HydrophobicContact CG-CZ 4.03Å; W1598-F1672 HydrophobicContact CZ2-CD2 4.27Å; W1598-F1672 HydrophobicContact CZ2-CE2 4.19Å; R1636-F1672 HydrophobicContact CB-CZ 4.26Å; R1636-F1672 HydrophobicContact CG-CZ 4.06Å; A1639-F1672 HydrophobicContact CB-CE1 4.44Å; C1640-F1672 VanDerWaalsContact SG-CD1 3.59Å; C1640-F1672 VanDerWaalsContact SG-CE1 3.5Å; F1643-F1672 AromaticContact CE2-CD1 3.92Å; F1643-F1672 HydrophobicContact CE2-CD1 3.92Å; F1643-F1672 AromaticContact CE2-CE1 3.97Å; F1643-F1672 HydrophobicContact CE2-CE1 3.97Å; W1668-F1672 HydrophobicContact CE3-CB 4.09Å; W1668-F1672 HydrophobicContact CH2-CB 4.31Å; W1668-F1672 AromaticContact CH2-CD2 3.96Å; W1668-F1672 HydrophobicContact CH2-CD2 3.96Å; W1668-F1672 HydrophobicContact CH2-CE2 4.48Å; W1668-F1672 HydrophobicContact CH2-CG 4.09Å; W1668-F1672 HydrophobicContact CZ2-CD2 4.39Å; W1668-F1672 HydrophobicContact CZ3-CB 3.95Å; W1668-F1672 HydrophobicContact CZ3-CD1 4.49Å; W1668-F1672 HydrophobicContact CZ3-CD2 4.36Å; W1668-F1672 HydrophobicContact CZ3-CG 4.03Å; W1668-F1672 WeakPolarHBondContact O-CB 3.4Å; W1668-F1672 PolarHBondContact O-N 3.41Å; L1670-F1672 VanDerWaalsContact C-N 3.3Å; L1670-F1672 PolarHBondContact O-N 2.99Å; F1672-L1674 VanDerWaalsContact C-N 3.35Å; F1672-L1674 PolarHBondContact O-N 3.42Å; F1672-H1676 WeakPolarHBondContact O-CB 3.22Å; F1672-H1676 PolarHBondContact O-N 2.98Å |
| 1673 | A | 73.8 | Confident | 70 | Confident | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.033 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1669 L1670 H1676 G1677 H1719 | L1669-A1673 VanDerWaalsContact O-CB 3.31Å; L1669-A1673 WeakPolarHBondContact O-CB 3.38Å; L1669-A1673 PolarHBondContact O-N 3.16Å; L1670-A1673 PolarHBondContact O-N 3.14Å; A1673-H1676 PolarHBondContact O-N 3.26Å; A1673-G1677 PolarHBondContact O-N 3.22Å; A1673-H1719 HydrophobicContact CB-CB 4.01Å |
| 1674 | L | 71.3 | Confident | 70.2 | Confident | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.6 | -44.3 | 178.2 | -73.1 | 171.9 | 0 | 0 | 0 | 112.7 | L1670 S1671 F1672 H1676 G1677 Y1678 L1689 L1720 V1768 L1772 L1775 | L1670-L1674 HydrophobicContact CD1-CD1 4.16Å; L1670-L1674 HydrophobicContact CD1-CG 4.3Å; L1670-L1674 HydrophobicContact CG-CD1 4Å; L1670-L1674 WeakPolarHBondContact O-CG 3.25Å; L1670-L1674 PolarHBondContact O-N 2.73Å; S1671-L1674 PolarHBondContact O-N 2.93Å; F1672-L1674 VanDerWaalsContact C-N 3.35Å; F1672-L1674 PolarHBondContact O-N 3.42Å; L1674-H1676 PolarHBondContact O-N 3.37Å; L1674-G1677 PolarHBondContact O-N 3.45Å; L1674-Y1678 WeakPolarHBondContact O-CB 3.47Å; L1674-Y1678 PolarHBondContact O-N 2.88Å; L1674-L1689 HydrophobicContact CB-CD1 3.72Å; L1674-L1689 HydrophobicContact CD1-CD1 3.97Å; L1674-L1720 HydrophobicContact CD2-CD2 4.48Å; L1674-V1768 HydrophobicContact CD1-CG1 3.59Å; L1674-L1772 HydrophobicContact CD1-CB 4.13Å; L1674-L1772 HydrophobicContact CD1-CD1 4.37Å; L1674-L1772 HydrophobicContact CD2-CB 4.3Å; L1674-L1772 HydrophobicContact CD2-CD1 3.49Å; L1674-L1772 VanDerWaalsContact CD2-CD1 3.49Å; L1674-L1772 HydrophobicContact CD2-CG 4.49Å; L1674-L1775 HydrophobicContact CD2-CD2 4.05Å |
| 1675 | D | 73.7 | Confident | 69.8 | Low | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.032 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.9 | -39.8 | 173.2 | -82 | -18.3 | 0 | 0 | 0 | 111.2 | W1598 S1671 T1679 P1687 K1688 L1689 S1690 | W1598-D1675 HydrophobicContact CH2-CB 3.84Å; W1598-D1675 HydrophobicContact CZ2-CB 3.73Å; S1671-D1675 WeakPolarHBondContact O-CB 3.06Å; S1671-D1675 PolarHBondContact O-N 2.63Å; D1675-T1679 WeakPolarHBondContact O-CB 3.5Å; D1675-T1679 VanDerWaalsContact O-CG2 3.25Å; D1675-T1679 WeakPolarHBondContact O-CG2 3.4Å; D1675-T1679 PolarHBondContact O-N 3.01Å; D1675-T1679 PolarHBondContact O-OG1 3.38Å; D1675-P1687 HydrophobicContact CB-CB 3.72Å; D1675-P1687 VanDerWaalsContact CG-CB 3.48Å; D1675-P1687 VanDerWaalsContact OD2-CB 3.32Å; D1675-P1687 WeakPolarHBondContact OD2-CB 3.28Å; D1675-K1688 PolarHBondContact OD1-N 3.47Å; D1675-L1689 PolarHBondContact OD1-N 2.74Å; D1675-L1689 PolarHBondContact OD2-N 3.31Å; D1675-L1689 VanDerWaalsContact OD2-N 3.16Å; D1675-S1690 WeakPolarHBondContact OD2-CB 3.37Å; D1675-S1690 PolarHBondContact OD2-N 3.27Å; D1675-S1690 PolarHBondContact OD2-OG 2.69Å |
| 1676 | H | 75.8 | Confident | 69.3 | Low | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -45.7 | 176.3 | -175.1 | 63.9 | 0 | 0 | 0 | 111.9 | W1598 A1633 R1636 S1637 F1672 A1673 L1674 T1679 C1680 H1719 | W1598-H1676 HydrophobicContact CH2-CB 4.23Å; A1633-H1676 PolarHBondContact O-CE1 3.38Å; R1636-H1676 VanDerWaalsContact CB-CE1 3.45Å; R1636-H1676 WeakPolarHBondContact CB-CE1 3.34Å; R1636-H1676 VanDerWaalsContact CB-ND1 3.26Å; R1636-H1676 WeakPolarHBondContact CB-ND1 3.36Å; R1636-H1676 PolarHBondContact NH1-ND1 3.5Å; S1637-H1676 PolarHBondContact OG-NE2 3.48Å; F1672-H1676 WeakPolarHBondContact O-CB 3.22Å; F1672-H1676 PolarHBondContact O-N 2.98Å; A1673-H1676 PolarHBondContact O-N 3.26Å; L1674-H1676 PolarHBondContact O-N 3.37Å; H1676-T1679 PolarHBondContact O-N 3.21Å; H1676-T1679 PolarHBondContact O-OG1 3.12Å; H1676-C1680 PolarHBondContact CE1-SG 3.45Å; H1676-C1680 VanDerWaalsContact O-CB 3.23Å; H1676-C1680 WeakPolarHBondContact O-CB 3.32Å; H1676-C1680 PolarHBondContact O-N 3.38Å; H1676-H1719 AromaticContact CD2-CE1 3.49Å; H1676-H1719 PolarHBondContact CD2-CE1 3.29Å; H1676-H1719 VanDerWaalsContact CD2-CE1 3.49Å; H1676-H1719 AromaticContact CD2-NE2 3.78Å |
| 1677 | G | 69.7 | Low | 69.4 | Low | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.8 | -52.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1673 L1674 T1679 C1680 T1681 | A1673-G1677 PolarHBondContact O-N 3.22Å; L1674-G1677 PolarHBondContact O-N 3.45Å; G1677-T1679 PolarHBondContact O-N 3.19Å; G1677-C1680 PolarHBondContact O-N 3.06Å; G1677-T1681 WeakPolarHBondContact O-CG2 3.48Å; G1677-T1681 PolarHBondContact O-N 3.14Å; G1677-T1681 VanDerWaalsContact O-N 3.09Å; G1677-T1681 PolarHBondContact O-OG1 3.39Å |
| 1678 | Y | 68.8 | Low | 69.3 | Low | 21 Ų | 21 | 20.1 Ų | 20.1 | 8% | 0.082 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | -178.8 | -112 | -82.5 | 0 | 0 | 0 | 114.1 | L1674 S1682 F1683 A1684 T1771 S1774 L1775 Q1778 | L1674-Y1678 WeakPolarHBondContact O-CB 3.47Å; L1674-Y1678 PolarHBondContact O-N 2.88Å; Y1678-S1682 PolarHBondContact O-N 2.76Å; Y1678-F1683 HydrophobicContact CD1-CB 3.41Å; Y1678-F1683 VanDerWaalsContact CD1-CB 3.41Å; Y1678-F1683 HydrophobicContact CE1-CB 3.43Å; Y1678-F1683 VanDerWaalsContact CE1-CB 3.43Å; Y1678-F1683 HydrophobicContact CE1-CG 4.47Å; Y1678-F1683 HydrophobicContact CG-CB 4.41Å; Y1678-F1683 PolarHBondContact O-N 3.06Å; Y1678-A1684 HydrophobicContact CD1-CB 3.46Å; Y1678-A1684 VanDerWaalsContact CD1-CB 3.46Å; Y1678-A1684 HydrophobicContact CE1-CB 4.29Å; Y1678-A1684 HydrophobicContact CG-CB 4.15Å; Y1678-A1684 PolarHBondContact O-N 2.84Å; Y1678-T1771 VanDerWaalsContact CE2-O 3.27Å; Y1678-T1771 WeakPolarHBondContact CE2-O 3.4Å; Y1678-S1774 VanDerWaalsContact OH-C 3.29Å; Y1678-S1774 WeakPolarHBondContact OH-CB 3.37Å; Y1678-L1775 HydrophobicContact CD2-CB 4.07Å; Y1678-L1775 HydrophobicContact CD2-CD1 3.98Å; Y1678-L1775 HydrophobicContact CD2-CD2 4.37Å; Y1678-L1775 HydrophobicContact CD2-CG 4.36Å; Y1678-L1775 HydrophobicContact CE2-CB 3.53Å; Y1678-L1775 HydrophobicContact CE2-CD1 4.09Å; Y1678-L1775 HydrophobicContact CE2-CG 4.28Å; Y1678-L1775 HydrophobicContact CG-CD1 4.43Å; Y1678-L1775 PolarHBondContact OH-N 3.44Å; Y1678-L1775 VanDerWaalsContact OH-N 3.16Å; Y1678-Q1778 PolarHBondContact OH-OE1 3.1Å |
| 1679 | T | 69.5 | Low | 68.9 | Low | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -76.7 | -33.7 | -179.1 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | W1598 R1636 D1675 H1676 G1677 S1682 L1708 | W1598-T1679 HydrophobicContact CH2-CG2 4.48Å; W1598-T1679 HydrophobicContact CZ3-CG2 3.93Å; W1598-T1679 WeakPolarHBondContact CZ3-OG1 3.42Å; R1636-T1679 PolarHBondContact NH1-OG1 3.05Å; D1675-T1679 WeakPolarHBondContact O-CB 3.5Å; D1675-T1679 VanDerWaalsContact O-CG2 3.25Å; D1675-T1679 WeakPolarHBondContact O-CG2 3.4Å; D1675-T1679 PolarHBondContact O-N 3.01Å; D1675-T1679 PolarHBondContact O-OG1 3.38Å; H1676-T1679 PolarHBondContact O-N 3.21Å; H1676-T1679 PolarHBondContact O-OG1 3.12Å; G1677-T1679 PolarHBondContact O-N 3.19Å; T1679-S1682 PolarHBondContact O-N 3.1Å; T1679-L1708 HydrophobicContact CG2-CD2 4.28Å |
| 1680 | C | 65.7 | Low | 68.7 | Low | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.2 | -34 | 176.1 | -85.8 | 0 | 0 | 0 | 0 | 113.2 | H1676 G1677 S1682 | H1676-C1680 PolarHBondContact CE1-SG 3.45Å; H1676-C1680 VanDerWaalsContact O-CB 3.23Å; H1676-C1680 WeakPolarHBondContact O-CB 3.32Å; H1676-C1680 PolarHBondContact O-N 3.38Å; G1677-C1680 PolarHBondContact O-N 3.06Å; C1680-S1682 VanDerWaalsContact C-N 3.28Å |
| 1681 | T | 64.2 | Low | 68.1 | Low | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 15.3 | 177.1 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | G1677 F1683 L1779 | G1677-T1681 WeakPolarHBondContact O-CG2 3.48Å; G1677-T1681 PolarHBondContact O-N 3.14Å; G1677-T1681 VanDerWaalsContact O-N 3.09Å; G1677-T1681 PolarHBondContact O-OG1 3.39Å; T1681-F1683 WeakPolarHBondContact O-CD1 3.29Å; T1681-F1683 PolarHBondContact O-N 2.8Å; T1681-F1683 WeakPolarHBondContact OG1-CD2 3.46Å; T1681-F1683 VanDerWaalsContact OG1-CE2 3.32Å; T1681-F1683 WeakPolarHBondContact OG1-CE2 3.04Å; T1681-F1683 WeakPolarHBondContact OG1-CG 3.36Å; T1681-L1779 HydrophobicContact CG2-CD2 4.28Å |
| 1682 | S | 63.7 | Low | 67.5 | Low | 67 Ų | 67 | 25.4 Ų | 25.4 | 47% | 0.469 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 13.5 | -179.8 | 63.2 | 0 | 0 | 0 | 0 | 116.6 | Y1678 T1679 C1680 A1684 | Y1678-S1682 PolarHBondContact O-N 2.76Å; T1679-S1682 PolarHBondContact O-N 3.1Å; C1680-S1682 VanDerWaalsContact C-N 3.28Å; S1682-A1684 VanDerWaalsContact C-N 3.35Å; S1682-A1684 PolarHBondContact O-N 3.27Å |
| 1683 | F | 64.7 | Low | 66.5 | Low | 45 Ų | 45 | 28.6 Ų | 28.6 | 20% | 0.197 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -75.4 | -20.6 | -179.9 | -63.9 | -35.7 | 0 | 0 | 0 | 113.9 | Y1678 T1681 L1775 Q1778 L1779 L1787 | Y1678-F1683 HydrophobicContact CD1-CB 3.41Å; Y1678-F1683 VanDerWaalsContact CD1-CB 3.41Å; Y1678-F1683 HydrophobicContact CE1-CB 3.43Å; Y1678-F1683 VanDerWaalsContact CE1-CB 3.43Å; Y1678-F1683 HydrophobicContact CE1-CG 4.47Å; Y1678-F1683 HydrophobicContact CG-CB 4.41Å; Y1678-F1683 PolarHBondContact O-N 3.06Å; T1681-F1683 WeakPolarHBondContact O-CD1 3.29Å; T1681-F1683 PolarHBondContact O-N 2.8Å; T1681-F1683 WeakPolarHBondContact OG1-CD2 3.46Å; T1681-F1683 VanDerWaalsContact OG1-CE2 3.32Å; T1681-F1683 WeakPolarHBondContact OG1-CE2 3.04Å; T1681-F1683 WeakPolarHBondContact OG1-CG 3.36Å; F1683-L1775 HydrophobicContact CD2-CD1 3.67Å; F1683-L1775 HydrophobicContact CE2-CD1 3.98Å; F1683-Q1778 HydrophobicContact CD2-CB 4.31Å; F1683-Q1778 HydrophobicContact CE1-CB 4.21Å; F1683-Q1778 HydrophobicContact CE2-CB 3.75Å; F1683-Q1778 VanDerWaalsContact CG-OE1 3.3Å; F1683-Q1778 HydrophobicContact CZ-CB 3.69Å; F1683-L1779 HydrophobicContact CE2-CD2 3.82Å; F1683-L1779 HydrophobicContact CE2-CG 4.13Å; F1683-L1779 HydrophobicContact CZ-CD2 4.29Å; F1683-L1787 HydrophobicContact CE1-CD1 3.81Å; F1683-L1787 HydrophobicContact CE1-CD2 4.11Å; F1683-L1787 HydrophobicContact CZ-CD1 3.48Å; F1683-L1787 VanDerWaalsContact CZ-CD1 3.48Å |
| 1684 | A | 64.8 | Low | 65.5 | Low | 13 Ų | 13 | 31.6 Ų | 31.6 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | trans | -136.8 | 140.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1678 S1682 S1686 L1708 | Y1678-A1684 HydrophobicContact CD1-CB 3.46Å; Y1678-A1684 VanDerWaalsContact CD1-CB 3.46Å; Y1678-A1684 HydrophobicContact CE1-CB 4.29Å; Y1678-A1684 HydrophobicContact CG-CB 4.15Å; Y1678-A1684 PolarHBondContact O-N 2.84Å; S1682-A1684 VanDerWaalsContact C-N 3.35Å; S1682-A1684 PolarHBondContact O-N 3.27Å; A1684-S1686 VanDerWaalsContact C-N 3.33Å; A1684-L1708 VanDerWaalsContact O-CD2 3.22Å; A1684-L1708 WeakPolarHBondContact O-CD2 3.5Å | ||
| 1685 | S | 59.8 | Low | 64.3 | Low | 81 Ų | 81 | 34.9 Ų | 34.9 | 57% | 0.566 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -81.2 | -9.6 | -178.9 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | L1708 | S1685-L1708 WeakPolarHBondContact O-CG 3.12Š|
| 1686 | S | 61.8 | Low | 63 | Low | 41 Ų | 41 | 41.4 Ų | 41.4 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -153.7 | 151.2 | 178.9 | 50 | 0 | 0 | 0 | 0 | 111 | A1684 K1688 | A1684-S1686 VanDerWaalsContact C-N 3.33Å; S1686-K1688 PolarHBondContact O-N 2.88Å |
| 1687 | P | 70.3 | Confident | 61.5 | Low | 12 Ų | 12 | 49 Ų | 49 | 8% | 0.078 | 28% | 0.279 | C | S | . | . | trans | -67.5 | 121.3 | 172.7 | 29.7 | -35.5 | 0 | 0 | 0 | 109.7 | W1598 D1675 V1691 M1706 | W1598-P1687 HydrophobicContact CB-CG 4.37Å; W1598-P1687 HydrophobicContact CD2-CB 3.97Å; W1598-P1687 HydrophobicContact CD2-CG 3.67Å; W1598-P1687 HydrophobicContact CE3-CB 4.2Å; W1598-P1687 HydrophobicContact CE3-CG 3.96Å; W1598-P1687 HydrophobicContact CG-CG 3.83Å; W1598-P1687 HydrophobicContact CH2-CB 4.15Å; W1598-P1687 HydrophobicContact CZ2-CB 3.92Å; W1598-P1687 HydrophobicContact CZ3-CB 4.26Å; W1598-P1687 HydrophobicContact CZ3-CG 4.47Å; D1675-P1687 HydrophobicContact CB-CB 3.72Å; D1675-P1687 VanDerWaalsContact CG-CB 3.48Å; D1675-P1687 VanDerWaalsContact OD2-CB 3.32Å; D1675-P1687 WeakPolarHBondContact OD2-CB 3.28Å; P1687-V1691 HydrophobicContact CB-CG2 4.49Å; P1687-V1691 HydrophobicContact CG-CG2 4.13Å; P1687-M1706 HydrophobicContact CG-SD 4.02Å | ||
| 1688 | K | 67.1 | Low | 59.8 | Low | 100 Ų | 100 | 52.5 Ų | 52.5 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | trans | -97.5 | -32.2 | -174.7 | -71.3 | 178.9 | 171.7 | 178.8 | 0 | 112.5 | D1675 S1686 E1766 | D1675-K1688 PolarHBondContact OD1-N 3.47Å; S1686-K1688 PolarHBondContact O-N 2.88Å; K1688-E1766 VanDerWaalsContact CD-OE2 3.29Å; K1688-E1766 WeakPolarHBondContact CD-OE2 3.48Å; K1688-E1766 IonicContact NZ-OE1 3.66Å; K1688-E1766 IonicContact NZ-OE2 2.77Å; K1688-E1766 PolarHBondContact NZ-OE2 3.49Å | ||
| 1689 | L | 67.9 | Low | 58.4 | Low | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -93.7 | -50.2 | -165.6 | -57.1 | 173.6 | 0 | 0 | 0 | 112.7 | L1674 D1675 V1691 K1692 V1768 T1771 | L1674-L1689 HydrophobicContact CB-CD1 3.72Å; L1674-L1689 HydrophobicContact CD1-CD1 3.97Å; D1675-L1689 PolarHBondContact OD1-N 2.74Å; D1675-L1689 PolarHBondContact OD2-N 3.31Å; D1675-L1689 VanDerWaalsContact OD2-N 3.16Å; L1689-V1691 VanDerWaalsContact C-N 3.26Å; L1689-V1691 PolarHBondContact O-N 3.07Å; L1689-K1692 WeakPolarHBondContact O-CB 3.27Å; L1689-K1692 PolarHBondContact O-N 2.74Å; L1689-V1768 HydrophobicContact CD1-CG1 4.28Å; L1689-V1768 HydrophobicContact CD1-CG2 4.36Å; L1689-V1768 HydrophobicContact CD2-CB 4.46Å; L1689-V1768 HydrophobicContact CD2-CG2 3.92Å; L1689-T1771 WeakPolarHBondContact CD1-OG1 3.37Å; L1689-T1771 HydrophobicContact CD2-CG2 4.12Å |
| 1690 | S | 68.3 | Low | 56.8 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.2 | -29.3 | -177.3 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | D1675 | D1675-S1690 WeakPolarHBondContact OD2-CB 3.37Å; D1675-S1690 PolarHBondContact OD2-N 3.27Å; D1675-S1690 PolarHBondContact OD2-OG 2.69Å |
| 1691 | V | 59.3 | Low | 55.4 | Low | 65 Ų | 65 | 72.7 Ų | 72.7 | 39% | 0.394 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.9 | -33.7 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | P1687 L1689 Q1693 C1694 M1706 | P1687-V1691 HydrophobicContact CB-CG2 4.49Å; P1687-V1691 HydrophobicContact CG-CG2 4.13Å; L1689-V1691 VanDerWaalsContact C-N 3.26Å; L1689-V1691 PolarHBondContact O-N 3.07Å; V1691-Q1693 VanDerWaalsContact C-N 3.34Å; V1691-Q1693 PolarHBondContact O-N 3.4Å; V1691-C1694 PolarHBondContact O-N 3.09Å; V1691-M1706 HydrophobicContact CG2-SD 4.45Å |
| 1692 | K | 59.4 | Low | 54.2 | Low | 51 Ų | 51 | 76.3 Ų | 76.3 | 22% | 0.222 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -179.6 | -173.2 | -176 | 171.1 | -172.5 | 0 | 112.3 | L1689 C1694 S1695 E1750 | L1689-K1692 WeakPolarHBondContact O-CB 3.27Å; L1689-K1692 PolarHBondContact O-N 2.74Å; K1692-C1694 PolarHBondContact O-N 3.01Å; K1692-S1695 PolarHBondContact O-N 3.12Å; K1692-E1750 IonicContact NZ-OE1 3.48Å; K1692-E1750 IonicContact NZ-OE2 2.72Å; K1692-E1750 PolarHBondContact NZ-OE2 3.49Å |
| 1693 | Q | 57.8 | Low | 53 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 31% | 0.313 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.8 | -179.9 | -71.7 | -171.8 | -7.4 | 0 | 0 | 113.7 | S1667 V1691 | S1667-Q1693 PolarHBondContact OG-NE2 2.94Å; V1691-Q1693 VanDerWaalsContact C-N 3.34Å; V1691-Q1693 PolarHBondContact O-N 3.4Å |
| 1694 | C | 52.9 | Low | 51.8 | Low | 68 Ų | 68 | 83.4 Ų | 83.4 | 46% | 0.459 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -20.1 | 179.6 | -79.2 | 0 | 0 | 0 | 0 | 114.9 | P1594 V1691 K1692 L1696 | P1594-C1694 WeakPolarHBondContact CD-SG 3.49Å; P1594-C1694 HydrophobicContact CG-CB 4.33Å; P1594-C1694 WeakPolarHBondContact CG-SG 3.49Å; V1691-C1694 PolarHBondContact O-N 3.09Å; K1692-C1694 PolarHBondContact O-N 3.01Å; C1694-L1696 PolarHBondContact O-N 3.45Å |
| 1695 | S | 45.9 | Very low | 50.8 | Low | 72 Ų | 72 | 90.7 Ų | 90.7 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -76.7 | -5.8 | -173.2 | 82.5 | 0 | 0 | 0 | 0 | 114.6 | K1692 N1697 | K1692-S1695 PolarHBondContact O-N 3.12Å; S1695-N1697 PolarHBondContact O-N 3.33Å; S1695-N1697 VanDerWaalsContact O-N 3.08Å |
| 1696 | L | 44.9 | Very low | 50.2 | Low | 144 Ų | 144 | 88 Ų | 88 | 75% | 0.754 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -60.9 | -19.7 | -178.4 | -90.4 | 131 | 0 | 0 | 0 | 114.5 | C1694 | C1694-L1696 PolarHBondContact O-N 3.45Š|
| 1697 | N | 44.3 | Very low | 49.4 | Very low | 158 Ų | 158 | 93.6 Ų | 93.6 | 85% | 0.845 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -121.3 | 12.1 | -172.2 | -72.7 | -12 | 0 | 0 | 0 | 117 | S1695 | S1695-N1697 PolarHBondContact O-N 3.33Å; S1695-N1697 VanDerWaalsContact O-N 3.08Å |
| 1698 | S | 35.7 | Very low | 48.6 | Very low | 78 Ų | 78 | 96.5 Ų | 96.5 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | trans | -162.5 | 114.2 | 171.5 | 175.6 | 0 | 0 | 0 | 0 | 113.5 | C1700 | S1698-C1700 PolarHBondContact O-N 3.36Š| ||
| 1699 | P | 37.8 | Very low | 47.9 | Very low | 132 Ų | 132 | 93 Ų | 93 | 86% | 0.857 | 49% | 0.493 | S | S | * | . | trans | -84.5 | 75.2 | 178.3 | 35.2 | -31.9 | 0 | 0 | 0 | 110.5 | ||||
| 1700 | C | 37.5 | Very low | 47.1 | Very low | 109 Ų | 109 | 96.5 Ų | 96.5 | 74% | 0.736 | 52% | 0.515 | S | S | * | . | trans | -92.8 | 103.1 | 166.3 | -96.5 | 0 | 0 | 0 | 0 | 109.3 | S1698 S1702 | S1698-C1700 PolarHBondContact O-N 3.36Å; C1700-S1702 PolarHBondContact O-N 3.16Å; C1700-S1702 VanDerWaalsContact O-N 3.08Å | ||
| 1701 | K | 35.6 | Very low | 46.5 | Very low | 215 Ų | 215 | 97.3 Ų | 97.3 | 94% | 0.935 | 52% | 0.523 | S | S | * | . | trans | -67.1 | 94.8 | 167.9 | -68.6 | 179.1 | 176.5 | -179.4 | 0 | 109.5 | ||||
| 1702 | S | 37.9 | Very low | 46.3 | Very low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | trans | -160.6 | 116.3 | 148.6 | 43.5 | 0 | 0 | 0 | 0 | 108.1 | C1700 R1704 | C1700-S1702 PolarHBondContact O-N 3.16Å; C1700-S1702 VanDerWaalsContact O-N 3.08Å; S1702-R1704 PolarHBondContact O-N 3.04Å | ||
| 1703 | D | 38.8 | Very low | 46.1 | Very low | 142 Ų | 142 | 96.4 Ų | 96.4 | 76% | 0.759 | 52% | 0.52 | S | S | * | . | trans | -61.2 | 83.1 | 173.1 | -73.6 | -37.9 | 0 | 0 | 0 | 109.4 | Y1705 | D1703-Y1705 HydrophobicContact CB-CD2 4.41Å; D1703-Y1705 HydrophobicContact CB-CE2 3.87Å; D1703-Y1705 VanDerWaalsContact O-CD2 3.3Å; D1703-Y1705 WeakPolarHBondContact O-CD2 3.43Å; D1703-Y1705 PolarHBondContact O-N 2.86Å; D1703-Y1705 VanDerWaalsContact O-N 3.15Å | ||
| 1704 | R | 40.1 | Very low | 46.1 | Very low | 118 Ų | 118 | 97.7 Ų | 97.7 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | trans | -76.1 | 97.2 | 169.3 | -75.5 | -168.2 | -177.2 | 139.1 | 13.1 | 107.9 | D1602 S1702 M1706 | D1602-R1704 IonicContact OD1-NE 2.93Å; S1702-R1704 PolarHBondContact O-N 3.04Å; R1704-M1706 PolarHBondContact O-N 3.22Å | ||
| 1705 | Y | 43.3 | Very low | 46.2 | Very low | 167 Ų | 167 | 95.4 Ų | 95.4 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | trans | -64.4 | 102.8 | 172.9 | -70.4 | -87.4 | 0 | 0 | 0 | 109.8 | D1703 K1707 | D1703-Y1705 HydrophobicContact CB-CD2 4.41Å; D1703-Y1705 HydrophobicContact CB-CE2 3.87Å; D1703-Y1705 VanDerWaalsContact O-CD2 3.3Å; D1703-Y1705 WeakPolarHBondContact O-CD2 3.43Å; D1703-Y1705 PolarHBondContact O-N 2.86Å; D1703-Y1705 VanDerWaalsContact O-N 3.15Å; Y1705-K1707 PolarHBondContact O-N 3.24Å | ||
| 1706 | M | 48.1 | Very low | 46.5 | Very low | 25 Ų | 25 | 92.9 Ų | 92.9 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 114.3 | 169.4 | -73.3 | -178.3 | 148.5 | 0 | 0 | 108.5 | S1595 W1598 I1599 T1600 P1687 V1691 R1704 | S1595-M1706 WeakPolarHBondContact O-CE 3.25Å; W1598-M1706 HydrophobicContact CB-CE 3.66Å; W1598-M1706 HydrophobicContact CB-SD 3.53Å; W1598-M1706 VanDerWaalsContact CB-SD 3.53Å; W1598-M1706 HydrophobicContact CG-SD 4.22Å; I1599-M1706 VanDerWaalsContact O-CA 3.25Å; I1599-M1706 WeakPolarHBondContact O-CA 3.5Å; I1599-M1706 WeakPolarHBondContact O-CB 3.22Å; T1600-M1706 HydrophobicContact CG2-CE 3.4Å; T1600-M1706 HydrophobicContact CG2-CG 4.04Å; P1687-M1706 HydrophobicContact CG-SD 4.02Å; V1691-M1706 HydrophobicContact CG2-SD 4.45Å; R1704-M1706 PolarHBondContact O-N 3.22Å |
| 1707 | K | 45.2 | Very low | 46.8 | Very low | 158 Ų | 158 | 87.7 Ų | 87.7 | 69% | 0.687 | 46% | 0.463 | S | S | * | . | trans | -97.7 | 138.1 | -175.7 | -122.2 | -179.7 | -177.6 | -179.5 | 0 | 112.1 | I1599 V1601 Y1705 | I1599-K1707 PolarHBondContact O-N 2.87Å; V1601-K1707 HydrophobicContact CG2-CB 4.07Å; Y1705-K1707 PolarHBondContact O-N 3.24Å | ||
| 1708 | L | 53.5 | Low | 47.4 | Very low | 72 Ų | 72 | 80.7 Ų | 80.7 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | trans | -52.5 | 145.5 | -173.6 | -74.6 | 157 | 0 | 0 | 0 | 115.6 | T1679 A1684 S1685 | T1679-L1708 HydrophobicContact CG2-CD2 4.28Å; A1684-L1708 VanDerWaalsContact O-CD2 3.22Å; A1684-L1708 WeakPolarHBondContact O-CD2 3.5Å; S1685-L1708 WeakPolarHBondContact O-CG 3.12Å | ||
| 1709 | V | 51.6 | Low | 48.1 | Very low | 28 Ų | 28 | 77.4 Ų | 77.4 | 17% | 0.17 | 40% | 0.401 | C | S | . | . | trans | -136.4 | 124.8 | 147.6 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | I1599 | I1599-V1709 HydrophobicContact CD1-CG2 3.54Š| ||
| 1710 | T | 51.6 | Low | 48.9 | Very low | 80 Ų | 80 | 71.8 Ų | 71.8 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | trans | -70.9 | 137 | 172.9 | 48.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1711 | G | 55.5 | Low | 49.6 | Very low | 17 Ų | 17 | 67 Ų | 67 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | trans | -167.4 | 166.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | M1713 | G1711-M1713 PolarHBondContact O-N 2.68Š| ||
| 1712 | T | 54.3 | Low | 50.5 | Low | 58 Ų | 58 | 57.1 Ų | 57.1 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | trans | -66.3 | 124.5 | -172.5 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | S1637 | S1637-T1712 PolarHBondContact OG-O 3.45Š| ||
| 1713 | M | 56.4 | Low | 51.2 | Low | 39 Ų | 39 | 54 Ų | 54 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | trans | -91.7 | 106.9 | 175.9 | -170 | 179.4 | -179 | 0 | 0 | 108.8 | G1711 S1715 R1716 H1719 | G1711-M1713 PolarHBondContact O-N 2.68Å; M1713-S1715 PolarHBondContact O-N 2.87Å; M1713-R1716 HydrophobicContact CE-CB 4.48Å; M1713-R1716 HydrophobicContact CE-CG 3.73Å; M1713-R1716 HydrophobicContact CG-CG 4.29Å; M1713-R1716 HydrophobicContact SD-CG 3.55Å; M1713-R1716 VanDerWaalsContact SD-CG 3.55Å; M1713-H1719 HydrophobicContact CE-CB 4.41Å; M1713-H1719 WeakPolarHBondContact CE-CD2 3.23Å | ||
| 1714 | H | 57.4 | Low | 51.9 | Low | 94 Ų | 94 | 48.2 Ų | 48.2 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -72.7 | -16.9 | -170.9 | -80.9 | -63.9 | 0 | 0 | 0 | 115.7 | E1634 L1641 | E1634-H1714 WeakPolarHBondContact CG-NE2 3.14Å; E1634-H1714 IonicContact OE1-CD2 2.64Å; E1634-H1714 IonicContact OE1-CE1 3.53Å; E1634-H1714 IonicContact OE1-NE2 3.7Å; E1634-H1714 PolarHBondContact OE1-NE2 3.16Å; L1641-H1714 HydrophobicContact CD1-CB 4.05Å |
| 1715 | S | 55.6 | Low | 52.4 | Low | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | trans | -164.2 | 82.3 | -172.4 | -179.5 | 0 | 0 | 0 | 0 | 113.6 | L1641 M1713 D1717 Q1718 H1719 | L1641-S1715 WeakPolarHBondContact CD2-OG 3.26Å; M1713-S1715 PolarHBondContact O-N 2.87Å; S1715-D1717 VanDerWaalsContact C-N 3.26Å; S1715-D1717 PolarHBondContact O-N 3.02Å; S1715-Q1718 PolarHBondContact O-N 3.47Å; S1715-Q1718 VanDerWaalsContact OG-CG 3.26Å; S1715-Q1718 WeakPolarHBondContact OG-CG 3.38Å; S1715-H1719 PolarHBondContact O-CD2 3.48Å | ||
| 1716 | R | 51.9 | Low | 52.8 | Low | 20 Ų | 20 | 36.9 Ų | 36.9 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -37.7 | 175.9 | -79.3 | 178.4 | 172.7 | 162.4 | -6.1 | 113.3 | M1713 Q1718 H1719 L1784 T1788 I1802 | M1713-R1716 HydrophobicContact CE-CB 4.48Å; M1713-R1716 HydrophobicContact CE-CG 3.73Å; M1713-R1716 HydrophobicContact CG-CG 4.29Å; M1713-R1716 HydrophobicContact SD-CG 3.55Å; M1713-R1716 VanDerWaalsContact SD-CG 3.55Å; R1716-Q1718 VanDerWaalsContact C-N 3.28Å; R1716-Q1718 PolarHBondContact O-N 3.27Å; R1716-H1719 PolarHBondContact O-N 2.7Å; R1716-L1784 VanDerWaalsContact CZ-CD2 3.47Å; R1716-L1784 VanDerWaalsContact NH1-CD1 3.33Å; R1716-L1784 VanDerWaalsContact NH1-CG 3.34Å; R1716-T1788 VanDerWaalsContact NH2-CG2 3.3Å; R1716-I1802 HydrophobicContact CB-CG1 4.08Å; R1716-I1802 HydrophobicContact CG-CD1 4.49Å; R1716-I1802 HydrophobicContact CG-CG1 4.44Å |
| 1717 | D | 51.3 | Low | 52.8 | Low | 35 Ų | 35 | 36.7 Ų | 36.7 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.1 | -42 | -177.1 | -56 | -6.3 | 0 | 0 | 0 | 112.8 | S1715 L1721 L1805 | S1715-D1717 VanDerWaalsContact C-N 3.26Å; S1715-D1717 PolarHBondContact O-N 3.02Å; D1717-L1721 WeakPolarHBondContact O-CB 3.27Å; D1717-L1721 PolarHBondContact O-N 3.27Å; D1717-L1721 VanDerWaalsContact O-N 3.15Å; D1717-L1805 HydrophobicContact CB-CD1 3.66Å; D1717-L1805 HydrophobicContact CB-CD2 4.36Å |
| 1718 | Q | 55.6 | Low | 53 | Low | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.6 | -31.2 | -172 | -68.3 | -167.9 | 7 | 0 | 0 | 113.2 | L1641 V1644 S1715 R1716 L1720 L1722 | L1641-Q1718 VanDerWaalsContact CD2-CD 3.42Å; L1641-Q1718 HydrophobicContact CD2-CG 4.37Å; V1644-Q1718 HydrophobicContact CB-CB 3.95Å; V1644-Q1718 HydrophobicContact CB-CG 4.3Å; V1644-Q1718 HydrophobicContact CG1-CB 3.87Å; V1644-Q1718 HydrophobicContact CG1-CG 3.83Å; V1644-Q1718 HydrophobicContact CG2-CB 3.66Å; V1644-Q1718 VanDerWaalsContact CG2-O 3.28Å; V1644-Q1718 WeakPolarHBondContact CG2-O 3.37Å; S1715-Q1718 PolarHBondContact O-N 3.47Å; S1715-Q1718 VanDerWaalsContact OG-CG 3.26Å; S1715-Q1718 WeakPolarHBondContact OG-CG 3.38Å; R1716-Q1718 VanDerWaalsContact C-N 3.28Å; R1716-Q1718 PolarHBondContact O-N 3.27Å; Q1718-L1720 PolarHBondContact O-N 3.15Å; Q1718-L1722 PolarHBondContact O-N 3.48Å |
| 1719 | H | 51.4 | Low | 52.9 | Low | 9 Ų | 9 | 29.3 Ų | 29.3 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 179.8 | -68.7 | -81.3 | 0 | 0 | 0 | 112.8 | C1640 A1673 H1676 M1713 S1715 R1716 | C1640-H1719 WeakPolarHBondContact CB-CE1 3.28Å; C1640-H1719 WeakPolarHBondContact CB-ND1 3.4Å; C1640-H1719 PolarHBondContact SG-CE1 3Å; C1640-H1719 PolarHBondContact SG-ND1 3.36Å; C1640-H1719 VanDerWaalsContact SG-ND1 3.39Å; A1673-H1719 HydrophobicContact CB-CB 4.01Å; H1676-H1719 AromaticContact CD2-CE1 3.49Å; H1676-H1719 PolarHBondContact CD2-CE1 3.29Å; H1676-H1719 VanDerWaalsContact CD2-CE1 3.49Å; H1676-H1719 AromaticContact CD2-NE2 3.78Å; M1713-H1719 HydrophobicContact CE-CB 4.41Å; M1713-H1719 WeakPolarHBondContact CE-CD2 3.23Å; S1715-H1719 PolarHBondContact O-CD2 3.48Å; R1716-H1719 PolarHBondContact O-N 2.7Å |
| 1720 | L | 53.8 | Low | 52.7 | Low | 14 Ų | 14 | 29.7 Ų | 29.7 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -87.9 | -31 | -179.6 | -68.7 | 160.6 | 0 | 0 | 0 | 112.2 | L1674 Q1718 L1722 A1723 I1724 L1772 M1776 L1805 I1809 | L1674-L1720 HydrophobicContact CD2-CD2 4.48Å; Q1718-L1720 PolarHBondContact O-N 3.15Å; L1720-L1722 PolarHBondContact O-N 3.25Å; L1720-A1723 WeakPolarHBondContact O-CA 3.46Å; L1720-A1723 WeakPolarHBondContact O-CB 3.39Å; L1720-A1723 PolarHBondContact O-N 3.46Å; L1720-I1724 PolarHBondContact O-N 3.49Å; L1720-L1772 HydrophobicContact CD2-CD1 3.46Å; L1720-L1772 VanDerWaalsContact CD2-CD1 3.46Å; L1720-M1776 HydrophobicContact CD1-CE 3.41Å; L1720-M1776 VanDerWaalsContact CD1-CE 3.41Å; L1720-M1776 HydrophobicContact CD1-SD 3.89Å; L1720-M1776 HydrophobicContact CD2-CE 4.32Å; L1720-M1776 HydrophobicContact CD2-SD 4.02Å; L1720-L1805 HydrophobicContact CD1-CD2 4.4Å; L1720-I1809 HydrophobicContact CB-CD1 3.48Å; L1720-I1809 VanDerWaalsContact CB-CD1 3.48Å; L1720-I1809 HydrophobicContact CD1-CD1 3.56Å; L1720-I1809 HydrophobicContact CG-CD1 4.09Å |
| 1721 | L | 53.8 | Low | 52.4 | Low | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -31.1 | 174.7 | -168.3 | 85.3 | 0 | 0 | 0 | 112.5 | I1491 L1492 D1717 A1723 I1724 I1725 | I1491-L1721 HydrophobicContact CB-CD2 4.19Å; I1491-L1721 HydrophobicContact CG2-CD1 3.87Å; I1491-L1721 HydrophobicContact CG2-CD2 3.31Å; I1491-L1721 HydrophobicContact CG2-CG 4.13Å; I1491-L1721 WeakPolarHBondContact O-CD1 3.46Å; L1492-L1721 HydrophobicContact CD2-CD1 3.94Å; D1717-L1721 WeakPolarHBondContact O-CB 3.27Å; D1717-L1721 PolarHBondContact O-N 3.27Å; D1717-L1721 VanDerWaalsContact O-N 3.15Å; L1721-A1723 PolarHBondContact O-N 3.15Å; L1721-I1724 PolarHBondContact O-N 2.99Å; L1721-I1725 HydrophobicContact CD2-CD1 3.42Å; L1721-I1725 VanDerWaalsContact CD2-CD1 3.42Å; L1721-I1725 HydrophobicContact CD2-CG1 4.26Å; L1721-I1725 HydrophobicContact CG-CD1 3.66Å; L1721-I1725 HydrophobicContact CG-CG1 3.97Å; L1721-I1725 PolarHBondContact O-N 2.99Å |
| 1722 | L | 53.9 | Low | 51.9 | Low | 9 Ų | 9 | 31.8 Ų | 31.8 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54 | -39.6 | 171.8 | -153.1 | 75.6 | 0 | 0 | 0 | 112.3 | V1644 L1647 L1669 Q1718 L1720 I1724 | V1644-L1722 HydrophobicContact CG2-CD1 3.82Å; L1647-L1722 HydrophobicContact CD1-CD1 3.15Å; L1647-L1722 HydrophobicContact CD1-CG 4.16Å; L1647-L1722 HydrophobicContact CG-CD1 4.49Å; L1669-L1722 HydrophobicContact CB-CD2 3.46Å; L1669-L1722 VanDerWaalsContact CB-CD2 3.46Å; Q1718-L1722 PolarHBondContact O-N 3.48Å; L1720-L1722 PolarHBondContact O-N 3.25Å; L1722-I1724 VanDerWaalsContact C-N 3.31Å |
| 1723 | A | 51.8 | Low | 51 | Low | 13 Ų | 13 | 35.6 Ų | 35.6 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1670 L1720 L1721 W1748 | L1670-A1723 HydrophobicContact CD1-CB 3.59Å; L1670-A1723 HydrophobicContact CD2-CB 4.46Å; L1720-A1723 WeakPolarHBondContact O-CA 3.46Å; L1720-A1723 WeakPolarHBondContact O-CB 3.39Å; L1720-A1723 PolarHBondContact O-N 3.46Å; L1721-A1723 PolarHBondContact O-N 3.15Å; A1723-W1748 WeakPolarHBondContact O-CZ2 3.47Å |
| 1724 | I | 53.1 | Low | 50.2 | Low | 20 Ų | 20 | 36.7 Ų | 36.7 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78.8 | -47.4 | -172.9 | -66.1 | 163.8 | 0 | 0 | 0 | 111.7 | L1720 L1721 L1722 H1726 R1727 L1728 I1809 L1812 | L1720-I1724 PolarHBondContact O-N 3.49Å; L1721-I1724 PolarHBondContact O-N 2.99Å; L1722-I1724 VanDerWaalsContact C-N 3.31Å; I1724-H1726 VanDerWaalsContact C-N 3.28Å; I1724-H1726 PolarHBondContact O-N 3.13Å; I1724-R1727 PolarHBondContact O-N 3.4Å; I1724-R1727 VanDerWaalsContact O-N 3.16Å; I1724-L1728 HydrophobicContact CG2-CD1 3.85Å; I1724-L1728 HydrophobicContact CG2-CG 4.46Å; I1724-L1728 PolarHBondContact O-N 3.34Å; I1724-L1728 VanDerWaalsContact O-N 3.12Å; I1724-I1809 HydrophobicContact CD1-CG1 3.84Å; I1724-L1812 HydrophobicContact CD1-CD1 3.72Å; I1724-L1812 HydrophobicContact CG1-CD1 4.42Å; I1724-L1812 HydrophobicContact CG2-CD1 4.08Å |
| 1725 | I | 52.5 | Low | 49.2 | Very low | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.205 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | -177.3 | -72 | 170.8 | 0 | 0 | 0 | 111.2 | Q1648 L1721 R1727 C1729 | Q1648-I1725 HydrophobicContact CG-CD1 4.5Å; L1721-I1725 HydrophobicContact CD2-CD1 3.42Å; L1721-I1725 VanDerWaalsContact CD2-CD1 3.42Å; L1721-I1725 HydrophobicContact CD2-CG1 4.26Å; L1721-I1725 HydrophobicContact CG-CD1 3.66Å; L1721-I1725 HydrophobicContact CG-CG1 3.97Å; L1721-I1725 PolarHBondContact O-N 2.99Å; I1725-R1727 VanDerWaalsContact C-N 3.34Å; I1725-R1727 PolarHBondContact O-N 3.33Å; I1725-C1729 PolarHBondContact O-N 3.38Å; I1725-C1729 VanDerWaalsContact O-N 3.09Å; I1725-C1729 PolarHBondContact O-SG 2.74Å |
| 1726 | H | 50.6 | Low | 48.2 | Very low | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | -179.9 | 178.7 | -124.9 | 0 | 0 | 0 | 112.3 | L1666 I1724 C1729 Q1730 W1748 | L1666-H1726 HydrophobicContact CD1-CB 4.27Å; L1666-H1726 WeakPolarHBondContact CD1-CD2 3.39Å; I1724-H1726 VanDerWaalsContact C-N 3.28Å; I1724-H1726 PolarHBondContact O-N 3.13Å; H1726-C1729 WeakPolarHBondContact O-CB 3.23Å; H1726-C1729 PolarHBondContact O-N 2.7Å; H1726-Q1730 PolarHBondContact O-N 2.96Å; H1726-W1748 HydrophobicContact CB-CH2 3.67Å; H1726-W1748 HydrophobicContact CB-CZ2 3.87Å; H1726-W1748 HydrophobicContact CB-CZ3 4.39Å; H1726-W1748 AromaticContact CE1-CD1 3.91Å; H1726-W1748 AromaticContact CE1-CD2 3.7Å; H1726-W1748 AromaticContact CE1-CE2 3.73Å; H1726-W1748 AromaticContact CE1-CG 3.85Å; H1726-W1748 AromaticContact CE1-NE1 3.84Å; H1726-W1748 AromaticContact CG-CH2 3.88Å; H1726-W1748 AromaticContact CG-CZ2 3.86Å; H1726-W1748 AromaticContact ND1-CD1 3.98Å; H1726-W1748 AromaticContact ND1-CD2 3.34Å; H1726-W1748 VanDerWaalsContact ND1-CD2 3.34Å; H1726-W1748 AromaticContact ND1-CE2 3.04Å; H1726-W1748 AromaticContact ND1-CE3 3.67Å; H1726-W1748 AromaticContact ND1-CG 3.95Å; H1726-W1748 AromaticContact ND1-CH2 3.39Å; H1726-W1748 WeakPolarHBondContact ND1-CH2 3.5Å; H1726-W1748 AromaticContact ND1-CZ2 3.1Å; H1726-W1748 WeakPolarHBondContact ND1-CZ2 3.24Å; H1726-W1748 AromaticContact ND1-CZ3 3.69Å; H1726-W1748 AromaticContact ND1-NE1 3.48Å; H1726-W1748 PolarHBondContact ND1-NE1 3.47Å |
| 1727 | R | 48.8 | Very low | 47.4 | Very low | 21 Ų | 21 | 54 Ų | 54 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.8 | -36 | -178.4 | -164.3 | 151.7 | -162.1 | 163.8 | -9.2 | 113.1 | I1724 I1725 C1729 Q1730 Q1731 V1816 | I1724-R1727 PolarHBondContact O-N 3.4Å; I1724-R1727 VanDerWaalsContact O-N 3.16Å; I1725-R1727 VanDerWaalsContact C-N 3.34Å; I1725-R1727 PolarHBondContact O-N 3.33Å; R1727-C1729 PolarHBondContact O-N 3.32Å; R1727-Q1730 PolarHBondContact O-N 2.95Å; R1727-Q1731 PolarHBondContact O-N 2.82Å; R1727-V1816 VanDerWaalsContact CD-O 3.27Å; R1727-V1816 WeakPolarHBondContact CD-O 3.31Å; R1727-V1816 VanDerWaalsContact CZ-C 3.46Å; R1727-V1816 PolarHBondContact NE-O 2.92Å; R1727-V1816 PolarHBondContact NH1-O 2.97Å; R1727-V1816 PolarHBondContact NH2-O 3.35Å |
| 1728 | L | 49.7 | Very low | 46.7 | Very low | 52 Ų | 52 | 56.8 Ų | 56.8 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -32.9 | 171.7 | -70.6 | 170.7 | 0 | 0 | 0 | 111.9 | F1495 I1724 Q1730 | F1495-L1728 HydrophobicContact CB-CD1 3.95Å; F1495-L1728 HydrophobicContact CB-CD2 4.2Å; F1495-L1728 HydrophobicContact CD1-CD1 4.33Å; F1495-L1728 HydrophobicContact CD2-CD1 3.4Å; F1495-L1728 HydrophobicContact CE2-CD1 3.93Å; F1495-L1728 HydrophobicContact CG-CD1 3.65Å; I1724-L1728 HydrophobicContact CG2-CD1 3.85Å; I1724-L1728 HydrophobicContact CG2-CG 4.46Å; I1724-L1728 PolarHBondContact O-N 3.34Å; I1724-L1728 VanDerWaalsContact O-N 3.12Å; L1728-Q1730 VanDerWaalsContact C-N 3.27Å; L1728-Q1730 PolarHBondContact O-N 3.29Å |
| 1729 | C | 49.9 | Very low | 45.8 | Very low | 24 Ų | 24 | 65 Ų | 65 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.9 | -30.7 | 171.6 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | I1725 H1726 R1727 S1732 | I1725-C1729 PolarHBondContact O-N 3.38Å; I1725-C1729 VanDerWaalsContact O-N 3.09Å; I1725-C1729 PolarHBondContact O-SG 2.74Å; H1726-C1729 WeakPolarHBondContact O-CB 3.23Å; H1726-C1729 PolarHBondContact O-N 2.7Å; R1727-C1729 PolarHBondContact O-N 3.32Å; C1729-S1732 PolarHBondContact O-OG 3.46Å |
| 1730 | Q | 47.5 | Very low | 45.2 | Very low | 35 Ų | 35 | 72 Ų | 72 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -80.7 | -39.4 | 177.8 | -83.2 | -177 | -23.5 | 0 | 0 | 114.3 | P1657 H1726 R1727 L1728 S1732 I1745 | P1657-Q1730 HydrophobicContact CB-CG 3.54Å; P1657-Q1730 HydrophobicContact CG-CG 3.64Å; H1726-Q1730 PolarHBondContact O-N 2.96Å; R1727-Q1730 PolarHBondContact O-N 2.95Å; L1728-Q1730 VanDerWaalsContact C-N 3.27Å; L1728-Q1730 PolarHBondContact O-N 3.29Å; Q1730-S1732 PolarHBondContact O-N 3.24Å; Q1730-S1732 VanDerWaalsContact O-N 3.11Å; Q1730-I1745 PolarHBondContact OE1-O 2.91Å |
| 1731 | Q | 46.7 | Very low | 44.4 | Very low | 105 Ų | 105 | 76.8 Ų | 76.8 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.6 | -12.6 | -177.9 | -90.4 | 178.7 | -15.1 | 0 | 0 | 114.3 | R1727 K1733 H1815 | R1727-Q1731 PolarHBondContact O-N 2.82Å; Q1731-K1733 PolarHBondContact O-N 3.48Å; Q1731-K1733 VanDerWaalsContact O-N 3.07Å; Q1731-H1815 PolarHBondContact NE2-O 2.72Å |
| 1732 | S | 43.3 | Very low | 43.7 | Very low | 36 Ų | 36 | 84 Ų | 84 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 5.4 | -173.8 | 64.5 | 0 | 0 | 0 | 0 | 117.7 | Y1500 C1729 Q1730 | Y1500-S1732 VanDerWaalsContact CD2-OG 3.27Å; Y1500-S1732 WeakPolarHBondContact CD2-OG 2.85Å; Y1500-S1732 WeakPolarHBondContact CE2-OG 3.43Å; C1729-S1732 PolarHBondContact O-OG 3.46Å; Q1730-S1732 PolarHBondContact O-N 3.24Å; Q1730-S1732 VanDerWaalsContact O-N 3.11Å |
| 1733 | K | 36.7 | Very low | 43.2 | Very low | 138 Ų | 138 | 87.8 Ų | 87.8 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | trans | -108.3 | 89.8 | 165.5 | -82.9 | -175.3 | 179 | 173.5 | 0 | 109.3 | Y1656 E1658 Q1731 | Y1656-K1733 WeakPolarHBondContact OH-CE 3.41Å; Y1656-K1733 PolarHBondContact OH-NZ 3.03Å; E1658-K1733 IonicContact OE1-NZ 3.98Å; E1658-K1733 PolarHBondContact OE1-NZ 3.46Å; Q1731-K1733 PolarHBondContact O-N 3.48Å; Q1731-K1733 VanDerWaalsContact O-N 3.07Å | ||
| 1734 | G | 38.3 | Very low | 42.9 | Very low | 62 Ų | 62 | 90 Ų | 90 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | trans | -142.1 | 79.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1735 | D | 37.4 | Very low | 42.5 | Very low | 142 Ų | 142 | 92.1 Ų | 92.1 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -173.5 | 44.3 | 163.8 | -93.5 | -15.9 | 0 | 0 | 0 | 109.1 | ||
| 1736 | Y | 35 | Very low | 42.2 | Very low | 228 Ų | 228 | 91 Ų | 91 | 89% | 0.894 | 51% | 0.507 | S | S | * | . | trans | -149.2 | 109.9 | 161.2 | -79.3 | -70.5 | 0 | 0 | 0 | 108.5 | S1738 | Y1736-S1738 PolarHBondContact O-N 3.29Š| ||
| 1737 | S | 34.3 | Very low | 42.3 | Very low | 127 Ų | 127 | 97.9 Ų | 97.9 | 89% | 0.888 | 54% | 0.536 | S | S | * | . | trans | -59.9 | 110.1 | 172.4 | 41.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1738 | S | 36.5 | Very low | 42.5 | Very low | 94 Ų | 94 | 97.5 Ų | 97.5 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | trans | -162.7 | 109.5 | 149.1 | 61.4 | 0 | 0 | 0 | 0 | 108.6 | Y1736 | Y1736-S1738 PolarHBondContact O-N 3.29Š| ||
| 1739 | E | 37.5 | Very low | 42.9 | Very low | 183 Ų | 183 | 95.1 Ų | 95.1 | 86% | 0.855 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -52.9 | 139.5 | 174.4 | -65.1 | 167.9 | 162.3 | 0 | 0 | 110.4 | ||
| 1740 | N | 37.9 | Very low | 43.4 | Very low | 156 Ų | 156 | 96.6 Ų | 96.6 | 83% | 0.834 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 112.4 | 18.4 | 169.5 | -54.3 | -35.3 | 0 | 0 | 0 | 119.6 | ||
| 1741 | T | 37.3 | Very low | 43.6 | Very low | 114 Ų | 114 | 95.1 Ų | 95.1 | 70% | 0.699 | 52% | 0.52 | S | S | * | . | trans | -127 | 25 | 170 | 53.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1742 | E | 38.8 | Very low | 43.8 | Very low | 159 Ų | 159 | 93.6 Ų | 93.6 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -81.2 | -18.5 | -179.4 | -72 | -175.9 | 153.2 | 0 | 0 | 114.4 | A1744 | E1742-A1744 PolarHBondContact O-N 3Š|
| 1743 | S | 43.7 | Very low | 44.3 | Very low | 88 Ų | 88 | 94.9 Ų | 94.9 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -79.1 | 13.9 | -175.9 | 75.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1744 | A | 45.7 | Very low | 45 | Very low | 61 Ų | 61 | 89.8 Ų | 89.8 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -98.3 | -14 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1742 G1746 | E1742-A1744 PolarHBondContact O-N 3Å; A1744-G1746 PolarHBondContact O-N 3.09Å |
| 1745 | I | 44 | Very low | 45.5 | Very low | 63 Ų | 63 | 90.9 Ų | 90.9 | 32% | 0.323 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -12 | -160.5 | -59 | 169.8 | 0 | 0 | 0 | 113.1 | Q1730 | Q1730-I1745 PolarHBondContact OE1-O 2.91Š|
| 1746 | G | 47.7 | Very low | 46 | Very low | 18 Ų | 18 | 92 Ų | 92 | 19% | 0.186 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -11.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | A1744 W1748 L1749 | A1744-G1746 PolarHBondContact O-N 3.09Å; G1746-W1748 VanDerWaalsContact C-N 3.26Å; G1746-W1748 PolarHBondContact O-N 3.42Å; G1746-L1749 PolarHBondContact O-N 2.95Å |
| 1747 | K | 52.3 | Low | 46.3 | Very low | 149 Ų | 149 | 91 Ų | 91 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -58.7 | -29.5 | -162.6 | -76.5 | -177.2 | 178.6 | 174.5 | 0 | 115.4 | E1750 | K1747-E1750 PolarHBondContact O-N 3.39Š|
| 1748 | W | 52.2 | Low | 46.6 | Very low | 14 Ų | 14 | 91.7 Ų | 91.7 | 5% | 0.053 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -80.5 | -23.6 | -172.6 | 79.2 | -65.9 | 0 | 0 | 0 | 115.4 | L1666 S1667 L1670 A1723 H1726 G1746 | L1666-W1748 HydrophobicContact CB-CZ3 4.33Å; S1667-W1748 PolarHBondContact OG-O 3.23Å; L1670-W1748 HydrophobicContact CB-CZ3 3.8Å; L1670-W1748 HydrophobicContact CD2-CE3 4.01Å; L1670-W1748 HydrophobicContact CD2-CH2 3.8Å; L1670-W1748 HydrophobicContact CD2-CZ2 4.46Å; L1670-W1748 HydrophobicContact CD2-CZ3 3.51Å; L1670-W1748 HydrophobicContact CG-CZ3 4.22Å; A1723-W1748 WeakPolarHBondContact O-CZ2 3.47Å; H1726-W1748 HydrophobicContact CB-CH2 3.67Å; H1726-W1748 HydrophobicContact CB-CZ2 3.87Å; H1726-W1748 HydrophobicContact CB-CZ3 4.39Å; H1726-W1748 AromaticContact CE1-CD1 3.91Å; H1726-W1748 AromaticContact CE1-CD2 3.7Å; H1726-W1748 AromaticContact CE1-CE2 3.73Å; H1726-W1748 AromaticContact CE1-CG 3.85Å; H1726-W1748 AromaticContact CE1-NE1 3.84Å; H1726-W1748 AromaticContact CG-CH2 3.88Å; H1726-W1748 AromaticContact CG-CZ2 3.86Å; H1726-W1748 AromaticContact ND1-CD1 3.98Å; H1726-W1748 AromaticContact ND1-CD2 3.34Å; H1726-W1748 VanDerWaalsContact ND1-CD2 3.34Å; H1726-W1748 AromaticContact ND1-CE2 3.04Å; H1726-W1748 AromaticContact ND1-CE3 3.67Å; H1726-W1748 AromaticContact ND1-CG 3.95Å; H1726-W1748 AromaticContact ND1-CH2 3.39Å; H1726-W1748 WeakPolarHBondContact ND1-CH2 3.5Å; H1726-W1748 AromaticContact ND1-CZ2 3.1Å; H1726-W1748 WeakPolarHBondContact ND1-CZ2 3.24Å; H1726-W1748 AromaticContact ND1-CZ3 3.69Å; H1726-W1748 AromaticContact ND1-NE1 3.48Å; H1726-W1748 PolarHBondContact ND1-NE1 3.47Å; G1746-W1748 VanDerWaalsContact C-N 3.26Å; G1746-W1748 PolarHBondContact O-N 3.42Å |
| 1749 | L | 57.6 | Low | 46.9 | Very low | 2 Ų | 2 | 93.8 Ų | 93.8 | 1% | 0.01 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -91.5 | -1.9 | 173.9 | -81.7 | 161.3 | 0 | 0 | 0 | 112.3 | L1670 G1746 F1751 V1768 A1769 L1772 V1816 | L1670-L1749 HydrophobicContact CD2-CD2 3.45Å; L1670-L1749 VanDerWaalsContact CD2-CD2 3.45Å; L1670-L1749 HydrophobicContact CD2-CG 4.27Å; G1746-L1749 PolarHBondContact O-N 2.95Å; L1749-F1751 HydrophobicContact CB-CD2 3.42Å; L1749-F1751 VanDerWaalsContact CB-CD2 3.42Å; L1749-F1751 HydrophobicContact CB-CE2 3.44Å; L1749-F1751 VanDerWaalsContact CB-CE2 3.44Å; L1749-F1751 HydrophobicContact CD1-CD2 4.34Å; L1749-F1751 HydrophobicContact CD1-CE2 3.65Å; L1749-F1751 HydrophobicContact CD2-CE2 4.47Å; L1749-F1751 HydrophobicContact CG-CD2 4.44Å; L1749-F1751 HydrophobicContact CG-CE2 4.02Å; L1749-F1751 PolarHBondContact O-N 3.02Å; L1749-F1751 VanDerWaalsContact O-N 3.16Å; L1749-V1768 HydrophobicContact CD2-CG1 4.07Å; L1749-A1769 PolarHBondContact O-N 2.97Å; L1749-L1772 HydrophobicContact CD2-CD2 4.29Å; L1749-V1816 HydrophobicContact CD1-CG1 4.34Å |
| 1750 | E | 60.5 | Low | 47.1 | Very low | 55 Ų | 55 | 91.3 Ų | 91.3 | 26% | 0.257 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.2 | 179.1 | -61 | -171.9 | 161.8 | 0 | 0 | 115.1 | K1692 K1747 E1752 S1753 P1767 | K1692-E1750 IonicContact NZ-OE1 3.48Å; K1692-E1750 IonicContact NZ-OE2 2.72Å; K1692-E1750 PolarHBondContact NZ-OE2 3.49Å; K1747-E1750 PolarHBondContact O-N 3.39Å; E1750-E1752 VanDerWaalsContact C-N 3.28Å; E1750-E1752 PolarHBondContact O-N 3.28Å; E1750-S1753 WeakPolarHBondContact O-CB 3.39Å; E1750-S1753 PolarHBondContact O-N 3.45Å; E1750-S1753 VanDerWaalsContact O-N 3.07Å; E1750-S1753 PolarHBondContact O-OG 2.6Å; E1750-P1767 HydrophobicContact CB-CB 4.35Å |
| 1751 | F | 53.3 | Low | 47.3 | Very low | 4 Ų | 4 | 92.4 Ų | 92.4 | 2% | 0.018 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -54.2 | -41.7 | 178.6 | -81.7 | -78.3 | 0 | 0 | 0 | 112.8 | L1749 S1753 T1754 A1769 F1813 T1817 Y1821 S1825 | L1749-F1751 HydrophobicContact CB-CD2 3.42Å; L1749-F1751 VanDerWaalsContact CB-CD2 3.42Å; L1749-F1751 HydrophobicContact CB-CE2 3.44Å; L1749-F1751 VanDerWaalsContact CB-CE2 3.44Å; L1749-F1751 HydrophobicContact CD1-CD2 4.34Å; L1749-F1751 HydrophobicContact CD1-CE2 3.65Å; L1749-F1751 HydrophobicContact CD2-CE2 4.47Å; L1749-F1751 HydrophobicContact CG-CD2 4.44Å; L1749-F1751 HydrophobicContact CG-CE2 4.02Å; L1749-F1751 PolarHBondContact O-N 3.02Å; L1749-F1751 VanDerWaalsContact O-N 3.16Å; F1751-S1753 VanDerWaalsContact C-N 3.3Å; F1751-S1753 PolarHBondContact O-N 2.94Å; F1751-T1754 WeakPolarHBondContact O-CG2 3.35Å; F1751-T1754 PolarHBondContact O-N 3.04Å; F1751-T1754 PolarHBondContact O-OG1 2.95Å; F1751-A1769 HydrophobicContact CD1-CB 3.53Å; F1751-A1769 HydrophobicContact CD2-CB 4.14Å; F1751-A1769 HydrophobicContact CE1-CB 3.31Å; F1751-A1769 HydrophobicContact CE2-CB 3.93Å; F1751-A1769 HydrophobicContact CG-CB 3.95Å; F1751-A1769 HydrophobicContact CZ-CB 3.52Å; F1751-F1813 HydrophobicContact CZ-CE1 4.5Å; F1751-F1813 HydrophobicContact CZ-CZ 4.03Å; F1751-T1817 HydrophobicContact CD1-CG2 4.11Å; F1751-T1817 HydrophobicContact CD2-CG2 3.37Å; F1751-T1817 HydrophobicContact CE1-CG2 3.94Å; F1751-T1817 HydrophobicContact CE2-CG2 3.18Å; F1751-T1817 HydrophobicContact CG-CG2 3.84Å; F1751-T1817 HydrophobicContact CZ-CG2 3.5Å; F1751-Y1821 HydrophobicContact CB-CD1 4.48Å; F1751-Y1821 HydrophobicContact CB-CG 4.18Å; F1751-S1825 WeakPolarHBondContact CD1-OG 3.38Å |
| 1752 | E | 49.9 | Very low | 47.5 | Very low | 73 Ų | 73 | 91.5 Ų | 91.5 | 34% | 0.341 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -63.7 | -30.7 | 178.5 | -80.3 | -179.3 | 162 | 0 | 0 | 113.8 | E1750 T1754 T1755 Y1821 | E1750-E1752 VanDerWaalsContact C-N 3.28Å; E1750-E1752 PolarHBondContact O-N 3.28Å; E1752-T1754 PolarHBondContact O-N 2.88Å; E1752-T1754 VanDerWaalsContact O-N 3.09Å; E1752-T1755 PolarHBondContact O-N 3.43Å; E1752-T1755 PolarHBondContact O-OG1 3.15Å; E1752-Y1821 HydrophobicContact CG-CE1 3.93Å; E1752-Y1821 HydrophobicContact CG-CE2 4.5Å |
| 1753 | S | 54.2 | Low | 47.9 | Very low | 62 Ų | 62 | 90.1 Ų | 90.1 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -64.4 | -17.7 | -175.1 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | E1750 F1751 T1755 | E1750-S1753 WeakPolarHBondContact O-CB 3.39Å; E1750-S1753 PolarHBondContact O-N 3.45Å; E1750-S1753 VanDerWaalsContact O-N 3.07Å; E1750-S1753 PolarHBondContact O-OG 2.6Å; F1751-S1753 VanDerWaalsContact C-N 3.3Å; F1751-S1753 PolarHBondContact O-N 2.94Å; S1753-T1755 PolarHBondContact O-N 3.29Å |
| 1754 | T | 51.8 | Low | 48.1 | Very low | 32 Ų | 32 | 96.8 Ų | 96.8 | 20% | 0.196 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -64.8 | -23 | 177.6 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | F1751 E1752 P1767 I1828 | F1751-T1754 WeakPolarHBondContact O-CG2 3.35Å; F1751-T1754 PolarHBondContact O-N 3.04Å; F1751-T1754 PolarHBondContact O-OG1 2.95Å; E1752-T1754 PolarHBondContact O-N 2.88Å; E1752-T1754 VanDerWaalsContact O-N 3.09Å; T1754-P1767 HydrophobicContact CG2-CB 4.42Å; T1754-P1767 HydrophobicContact CG2-CG 3.75Å; T1754-I1828 HydrophobicContact CG2-CD1 4.01Å |
| 1755 | T | 48.3 | Very low | 48.5 | Very low | 84 Ų | 84 | 99.9 Ų | 99.9 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -83.3 | -22.9 | -173.4 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | E1752 S1753 K1757 | E1752-T1755 PolarHBondContact O-N 3.43Å; E1752-T1755 PolarHBondContact O-OG1 3.15Å; S1753-T1755 PolarHBondContact O-N 3.29Å; T1755-K1757 PolarHBondContact O-N 3.31Å |
| 1756 | K | 47 | Very low | 49.3 | Very low | 167 Ų | 167 | 99.2 Ų | 99.2 | 73% | 0.726 | 51% | 0.51 | S | S | * | . | trans | -88.4 | 90.4 | -176.2 | -71 | -175.6 | 179.4 | 178.7 | 0 | 111.5 | N1758 | K1756-N1758 PolarHBondContact O-N 3.32Š| ||
| 1757 | K | 42.2 | Very low | 50.2 | Low | 205 Ų | 205 | 99.2 Ų | 99.2 | 89% | 0.891 | 51% | 0.507 | S | S | * | . | trans | -65.4 | 89.5 | 166.7 | -79.2 | -175.3 | 176.7 | 180 | 0 | 110.3 | T1755 | T1755-K1757 PolarHBondContact O-N 3.31Š| ||
| 1758 | N | 40.4 | Very low | 51 | Low | 142 Ų | 142 | 92.4 Ų | 92.4 | 76% | 0.759 | 48% | 0.478 | S | S | * | . | trans | -82.3 | 128.9 | 171.1 | -83.6 | -10.7 | 0 | 0 | 0 | 110.7 | K1756 N1760 | K1756-N1758 PolarHBondContact O-N 3.32Å; N1758-N1760 VanDerWaalsContact C-N 3.3Å; N1758-N1760 PolarHBondContact O-N 2.78Å; N1758-N1760 VanDerWaalsContact O-N 3.16Å | ||
| 1759 | T | 42.1 | Very low | 51.9 | Low | 138 Ų | 138 | 91.8 Ų | 91.8 | 85% | 0.847 | 48% | 0.475 | S | S | * | . | trans | -80.2 | 21.5 | -168.7 | 44.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1760 | N | 41.5 | Very low | 52.5 | Low | 131 Ų | 131 | 91.8 Ų | 91.8 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -122.5 | 134.1 | -178.1 | -69.3 | -18.1 | 0 | 0 | 0 | 111.2 | N1758 S1762 | N1758-N1760 VanDerWaalsContact C-N 3.3Å; N1758-N1760 PolarHBondContact O-N 2.78Å; N1758-N1760 VanDerWaalsContact O-N 3.16Å; N1760-S1762 PolarHBondContact O-N 3.4Å; N1760-S1762 PolarHBondContact O-OG 2.96Å |
| 1761 | N | 42.8 | Very low | 53.1 | Low | 179 Ų | 179 | 89.4 Ų | 89.4 | 96% | 0.957 | 47% | 0.465 | S | S | * | . | trans | -60.5 | 42.3 | -176.6 | -83.7 | -15 | 0 | 0 | 0 | 115.8 | ||||
| 1762 | S | 41.7 | Very low | 54.1 | Low | 95 Ų | 95 | 89.5 Ų | 89.5 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | trans | -76.3 | 130 | 165.1 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | N1760 Y1764 | N1760-S1762 PolarHBondContact O-N 3.4Å; N1760-S1762 PolarHBondContact O-OG 2.96Å; S1762-Y1764 PolarHBondContact O-N 3.17Å; S1762-Y1764 VanDerWaalsContact O-N 3.1Å | ||
| 1763 | V | 46.7 | Very low | 55.2 | Low | 131 Ų | 131 | 86.2 Ų | 86.2 | 79% | 0.794 | 45% | 0.45 | S | S | * | . | trans | -32.5 | 113.3 | 173.1 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | Q1765 | V1763-Q1765 PolarHBondContact O-N 2.91Š| ||
| 1764 | Y | 47.3 | Very low | 56.3 | Low | 228 Ų | 228 | 83.2 Ų | 83.2 | 89% | 0.894 | 43% | 0.429 | S | S | * | . | trans | -50.1 | 108.6 | -178.4 | -83.9 | -90.2 | 0 | 0 | 0 | 110.2 | S1762 | S1762-Y1764 PolarHBondContact O-N 3.17Å; S1762-Y1764 VanDerWaalsContact O-N 3.1Å | ||
| 1765 | Q | 54.1 | Low | 57.4 | Low | 126 Ų | 126 | 82.1 Ų | 82.1 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | trans | -83.9 | 115.8 | 176.1 | -74.5 | 179.5 | -16.4 | 0 | 0 | 108.9 | V1763 | V1763-Q1765 PolarHBondContact O-N 2.91Š| ||
| 1766 | E | 61.2 | Low | 58.6 | Low | 49 Ų | 49 | 78.3 Ų | 78.3 | 23% | 0.229 | 40% | 0.398 | C | S | . | . | trans | -69.9 | 128.4 | 177.9 | -68.7 | -179.4 | 147.3 | 0 | 0 | 110.4 | K1688 T1771 K1832 | K1688-E1766 VanDerWaalsContact CD-OE2 3.29Å; K1688-E1766 WeakPolarHBondContact CD-OE2 3.48Å; K1688-E1766 IonicContact NZ-OE1 3.66Å; K1688-E1766 IonicContact NZ-OE2 2.77Å; K1688-E1766 PolarHBondContact NZ-OE2 3.49Å; E1766-T1771 HydrophobicContact CB-CG2 4.19Å; E1766-K1832 WeakPolarHBondContact OE1-CE 3.48Å; E1766-K1832 IonicContact OE1-NZ 2.76Å; E1766-K1832 PolarHBondContact OE1-NZ 3.09Å; E1766-K1832 IonicContact OE2-NZ 2.88Å | ||
| 1767 | P | 66.9 | Low | 60.2 | Low | 18 Ų | 18 | 70.4 Ų | 70.4 | 12% | 0.117 | 36% | 0.364 | C | S | . | . | trans | -72.2 | 147.3 | 175 | 23.4 | -25.4 | 0 | 0 | 0 | 111.3 | E1750 T1754 A1769 V1770 T1771 | E1750-P1767 HydrophobicContact CB-CB 4.35Å; T1754-P1767 HydrophobicContact CG2-CB 4.42Å; T1754-P1767 HydrophobicContact CG2-CG 3.75Å; P1767-A1769 PolarHBondContact O-N 3.18Å; P1767-A1769 VanDerWaalsContact O-N 3.13Å; P1767-V1770 HydrophobicContact CG-CB 4.18Å; P1767-V1770 HydrophobicContact CG-CG2 3.77Å; P1767-V1770 PolarHBondContact O-N 3.06Å; P1767-T1771 PolarHBondContact O-N 2.89Å | ||
| 1768 | V | 70.1 | Confident | 61.7 | Low | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52 | -38.9 | -177.1 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | L1670 L1674 L1689 L1749 V1770 T1771 L1772 | L1670-V1768 HydrophobicContact CD2-CG1 4.12Å; L1674-V1768 HydrophobicContact CD1-CG1 3.59Å; L1689-V1768 HydrophobicContact CD1-CG1 4.28Å; L1689-V1768 HydrophobicContact CD1-CG2 4.36Å; L1689-V1768 HydrophobicContact CD2-CB 4.46Å; L1689-V1768 HydrophobicContact CD2-CG2 3.92Å; L1749-V1768 HydrophobicContact CD2-CG1 4.07Å; V1768-V1770 PolarHBondContact O-N 3.39Å; V1768-T1771 VanDerWaalsContact C-OG1 3.32Å; V1768-T1771 WeakPolarHBondContact CA-OG1 3.45Å; V1768-T1771 PolarHBondContact O-N 3.43Å; V1768-T1771 PolarHBondContact O-OG1 3.32Å; V1768-L1772 WeakPolarHBondContact O-CB 3.5Å; V1768-L1772 PolarHBondContact O-N 3.23Å |
| 1769 | A | 69.8 | Low | 63.1 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1749 F1751 P1767 L1772 L1773 | L1749-A1769 PolarHBondContact O-N 2.97Å; F1751-A1769 HydrophobicContact CD1-CB 3.53Å; F1751-A1769 HydrophobicContact CD2-CB 4.14Å; F1751-A1769 HydrophobicContact CE1-CB 3.31Å; F1751-A1769 HydrophobicContact CE2-CB 3.93Å; F1751-A1769 HydrophobicContact CG-CB 3.95Å; F1751-A1769 HydrophobicContact CZ-CB 3.52Å; P1767-A1769 PolarHBondContact O-N 3.18Å; P1767-A1769 VanDerWaalsContact O-N 3.13Å; A1769-L1772 PolarHBondContact O-N 3.44Å; A1769-L1773 PolarHBondContact O-N 3.28Å |
| 1770 | V | 71.7 | Confident | 64.3 | Low | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -39.2 | -178.5 | 169 | 0 | 0 | 0 | 0 | 110.5 | P1767 V1768 S1774 I1828 V1829 | P1767-V1770 HydrophobicContact CG-CB 4.18Å; P1767-V1770 HydrophobicContact CG-CG2 3.77Å; P1767-V1770 PolarHBondContact O-N 3.06Å; V1768-V1770 PolarHBondContact O-N 3.39Å; V1770-S1774 VanDerWaalsContact O-CB 3.28Å; V1770-S1774 WeakPolarHBondContact O-CB 3.33Å; V1770-S1774 PolarHBondContact O-N 3.07Å; V1770-S1774 PolarHBondContact O-OG 2.76Å; V1770-I1828 HydrophobicContact CG1-CG2 4.12Å; V1770-I1828 HydrophobicContact CG2-CB 4.29Å; V1770-I1828 HydrophobicContact CG2-CD1 4.49Å; V1770-I1828 HydrophobicContact CG2-CG2 4.02Å; V1770-V1829 HydrophobicContact CB-CG2 4.46Å; V1770-V1829 HydrophobicContact CG1-CG2 3.86Å |
| 1771 | T | 72.9 | Confident | 65.2 | Low | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 173.6 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | Y1678 L1689 E1766 P1767 V1768 L1773 S1774 L1775 | Y1678-T1771 VanDerWaalsContact CE2-O 3.27Å; Y1678-T1771 WeakPolarHBondContact CE2-O 3.4Å; L1689-T1771 WeakPolarHBondContact CD1-OG1 3.37Å; L1689-T1771 HydrophobicContact CD2-CG2 4.12Å; E1766-T1771 HydrophobicContact CB-CG2 4.19Å; P1767-T1771 PolarHBondContact O-N 2.89Å; V1768-T1771 VanDerWaalsContact C-OG1 3.32Å; V1768-T1771 WeakPolarHBondContact CA-OG1 3.45Å; V1768-T1771 PolarHBondContact O-N 3.43Å; V1768-T1771 PolarHBondContact O-OG1 3.32Å; T1771-L1773 PolarHBondContact O-N 2.94Å; T1771-S1774 PolarHBondContact O-N 3.33Å; T1771-L1775 PolarHBondContact O-N 3.11Å |
| 1772 | L | 73 | Confident | 66.1 | Low | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 178 | 176.3 | 67.2 | 0 | 0 | 0 | 111.8 | L1674 L1720 L1749 V1768 A1769 L1775 M1776 F1813 | L1674-L1772 HydrophobicContact CD1-CB 4.13Å; L1674-L1772 HydrophobicContact CD1-CD1 4.37Å; L1674-L1772 HydrophobicContact CD2-CB 4.3Å; L1674-L1772 HydrophobicContact CD2-CD1 3.49Å; L1674-L1772 VanDerWaalsContact CD2-CD1 3.49Å; L1674-L1772 HydrophobicContact CD2-CG 4.49Å; L1720-L1772 HydrophobicContact CD2-CD1 3.46Å; L1720-L1772 VanDerWaalsContact CD2-CD1 3.46Å; L1749-L1772 HydrophobicContact CD2-CD2 4.29Å; V1768-L1772 WeakPolarHBondContact O-CB 3.5Å; V1768-L1772 PolarHBondContact O-N 3.23Å; A1769-L1772 PolarHBondContact O-N 3.44Å; L1772-L1775 PolarHBondContact O-N 3.45Å; L1772-M1776 HydrophobicContact CD1-CG 4.49Å; L1772-M1776 VanDerWaalsContact O-CG 3.23Å; L1772-M1776 WeakPolarHBondContact O-CG 3.43Å; L1772-M1776 PolarHBondContact O-N 2.92Å; L1772-F1813 HydrophobicContact CD2-CE2 3.59Å; L1772-F1813 HydrophobicContact CD2-CZ 4.07Å; L1772-F1813 HydrophobicContact CG-CE2 4.28Å |
| 1773 | L | 74 | Confident | 67.1 | Low | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.6 | -78.8 | 173.1 | 0 | 0 | 0 | 112.1 | A1769 T1771 L1775 M1776 F1777 F1813 L1822 I1826 V1829 | A1769-L1773 PolarHBondContact O-N 3.28Å; T1771-L1773 PolarHBondContact O-N 2.94Å; L1773-L1775 VanDerWaalsContact C-N 3.34Å; L1773-L1775 PolarHBondContact O-N 3.07Å; L1773-M1776 PolarHBondContact O-N 3.17Å; L1773-F1777 HydrophobicContact CB-CE2 4.22Å; L1773-F1777 HydrophobicContact CB-CZ 4.44Å; L1773-F1777 HydrophobicContact CD2-CE1 4.16Å; L1773-F1777 HydrophobicContact CD2-CE2 4.33Å; L1773-F1777 HydrophobicContact CD2-CZ 3.74Å; L1773-F1777 WeakPolarHBondContact O-CB 3.49Å; L1773-F1777 WeakPolarHBondContact O-CD2 3.47Å; L1773-F1777 VanDerWaalsContact O-CG 3.22Å; L1773-F1777 WeakPolarHBondContact O-CG 3.16Å; L1773-F1777 PolarHBondContact O-N 3.27Å; L1773-F1813 HydrophobicContact CD1-CE1 4.29Å; L1773-F1813 HydrophobicContact CD2-CD1 3.79Å; L1773-F1813 HydrophobicContact CD2-CE1 3.28Å; L1773-F1813 HydrophobicContact CD2-CZ 3.85Å; L1773-F1813 HydrophobicContact CG-CE1 3.84Å; L1773-F1813 HydrophobicContact CG-CZ 4.06Å; L1773-L1822 HydrophobicContact CD1-CD1 4.48Å; L1773-L1822 HydrophobicContact CD2-CD1 4.47Å; L1773-I1826 HydrophobicContact CD1-CG1 4.08Å; L1773-V1829 HydrophobicContact CB-CG2 3.96Å; L1773-V1829 HydrophobicContact CD1-CG2 4.45Å |
| 1774 | S | 77 | Confident | 67.6 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 178.3 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | Y1678 V1770 T1771 Q1778 | Y1678-S1774 VanDerWaalsContact OH-C 3.29Å; Y1678-S1774 WeakPolarHBondContact OH-CB 3.37Å; V1770-S1774 VanDerWaalsContact O-CB 3.28Å; V1770-S1774 WeakPolarHBondContact O-CB 3.33Å; V1770-S1774 PolarHBondContact O-N 3.07Å; V1770-S1774 PolarHBondContact O-OG 2.76Å; T1771-S1774 PolarHBondContact O-N 3.33Å; S1774-Q1778 WeakPolarHBondContact O-CB 3.48Å; S1774-Q1778 VanDerWaalsContact O-CG 3.31Å; S1774-Q1778 WeakPolarHBondContact O-CG 3.34Å; S1774-Q1778 PolarHBondContact O-N 3.19Å; S1774-Q1778 VanDerWaalsContact O-N 3.13Å |
| 1775 | L | 75 | Confident | 68.2 | Low | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.3 | -174.1 | 61.4 | 0 | 0 | 0 | 110.9 | L1674 Y1678 F1683 T1771 L1772 L1773 Q1778 L1779 | L1674-L1775 HydrophobicContact CD2-CD2 4.05Å; Y1678-L1775 HydrophobicContact CD2-CB 4.07Å; Y1678-L1775 HydrophobicContact CD2-CD1 3.98Å; Y1678-L1775 HydrophobicContact CD2-CD2 4.37Å; Y1678-L1775 HydrophobicContact CD2-CG 4.36Å; Y1678-L1775 HydrophobicContact CE2-CB 3.53Å; Y1678-L1775 HydrophobicContact CE2-CD1 4.09Å; Y1678-L1775 HydrophobicContact CE2-CG 4.28Å; Y1678-L1775 HydrophobicContact CG-CD1 4.43Å; Y1678-L1775 PolarHBondContact OH-N 3.44Å; Y1678-L1775 VanDerWaalsContact OH-N 3.16Å; F1683-L1775 HydrophobicContact CD2-CD1 3.67Å; F1683-L1775 HydrophobicContact CE2-CD1 3.98Å; T1771-L1775 PolarHBondContact O-N 3.11Å; L1772-L1775 PolarHBondContact O-N 3.45Å; L1773-L1775 VanDerWaalsContact C-N 3.34Å; L1773-L1775 PolarHBondContact O-N 3.07Å; L1775-Q1778 PolarHBondContact O-N 3.39Å; L1775-L1779 HydrophobicContact CD1-CD1 3.97Å; L1775-L1779 HydrophobicContact CD1-CG 4.25Å; L1775-L1779 HydrophobicContact CD2-CD1 4.49Å; L1775-L1779 HydrophobicContact CG-CD1 3.79Å; L1775-L1779 HydrophobicContact CG-CG 4.41Å; L1775-L1779 WeakPolarHBondContact O-CB 3.23Å; L1775-L1779 WeakPolarHBondContact O-CG 3.22Å; L1775-L1779 PolarHBondContact O-N 3.35Å |
| 1776 | M | 73.2 | Confident | 68.6 | Low | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | -176.2 | -67.3 | -85.8 | 68.5 | 0 | 0 | 112.3 | L1720 L1772 L1773 L1779 R1780 I1806 I1809 | L1720-M1776 HydrophobicContact CD1-CE 3.41Å; L1720-M1776 VanDerWaalsContact CD1-CE 3.41Å; L1720-M1776 HydrophobicContact CD1-SD 3.89Å; L1720-M1776 HydrophobicContact CD2-CE 4.32Å; L1720-M1776 HydrophobicContact CD2-SD 4.02Å; L1772-M1776 HydrophobicContact CD1-CG 4.49Å; L1772-M1776 VanDerWaalsContact O-CG 3.23Å; L1772-M1776 WeakPolarHBondContact O-CG 3.43Å; L1772-M1776 PolarHBondContact O-N 2.92Å; L1773-M1776 PolarHBondContact O-N 3.17Å; M1776-L1779 HydrophobicContact CE-CD1 3.95Å; M1776-L1779 PolarHBondContact O-N 3.38Å; M1776-R1780 PolarHBondContact O-N 3.04Å; M1776-I1806 HydrophobicContact CE-CG1 3.93Å; M1776-I1806 HydrophobicContact CE-CG2 4.41Å; M1776-I1809 HydrophobicContact SD-CB 4.22Å; M1776-I1809 HydrophobicContact SD-CD1 4.42Å; M1776-I1809 HydrophobicContact SD-CG2 3.58Å; M1776-I1809 VanDerWaalsContact SD-CG2 3.58Å |
| 1777 | F | 79.7 | Confident | 68.2 | Low | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 177.9 | -62.9 | -17.6 | 0 | 0 | 0 | 112.4 | L1773 H1810 I1826 V1829 A1845 F1848 | L1773-F1777 HydrophobicContact CB-CE2 4.22Å; L1773-F1777 HydrophobicContact CB-CZ 4.44Å; L1773-F1777 HydrophobicContact CD2-CE1 4.16Å; L1773-F1777 HydrophobicContact CD2-CE2 4.33Å; L1773-F1777 HydrophobicContact CD2-CZ 3.74Å; L1773-F1777 WeakPolarHBondContact O-CB 3.49Å; L1773-F1777 WeakPolarHBondContact O-CD2 3.47Å; L1773-F1777 VanDerWaalsContact O-CG 3.22Å; L1773-F1777 WeakPolarHBondContact O-CG 3.16Å; L1773-F1777 PolarHBondContact O-N 3.27Å; F1777-H1810 AromaticContact CD1-NE2 3.69Å; F1777-H1810 AromaticContact CE1-NE2 3.96Å; F1777-I1826 HydrophobicContact CZ-CG1 4.28Å; F1777-V1829 HydrophobicContact CD2-CG1 3.7Å; F1777-V1829 HydrophobicContact CE2-CG1 3.93Å; F1777-A1845 HydrophobicContact CD2-CB 3.68Å; F1777-A1845 HydrophobicContact CE2-CB 3.7Å; F1777-A1845 HydrophobicContact CG-CB 4.49Å; F1777-F1848 HydrophobicContact CD1-CB 4.27Å; F1777-F1848 HydrophobicContact CE1-CB 3.48Å; F1777-F1848 VanDerWaalsContact CE1-CB 3.48Å; F1777-F1848 HydrophobicContact CE1-CD1 4.19Å; F1777-F1848 HydrophobicContact CE1-CD2 4.02Å; F1777-F1848 AromaticContact CE1-CG 3.62Å; F1777-F1848 HydrophobicContact CE1-CG 3.62Å; F1777-F1848 HydrophobicContact CZ-CB 3.89Å; F1777-F1848 HydrophobicContact CZ-CD1 4.04Å; F1777-F1848 AromaticContact CZ-CG 3.93Å; F1777-F1848 HydrophobicContact CZ-CG 3.93Å |
| 1778 | Q | 73.7 | Confident | 67.9 | Low | 30 Ų | 30 | 30.7 Ų | 30.7 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | 174.5 | -74 | 176.5 | -37.3 | 0 | 0 | 112.3 | Y1678 F1683 S1774 L1775 R1780 L1841 | Y1678-Q1778 PolarHBondContact OH-OE1 3.1Å; F1683-Q1778 HydrophobicContact CD2-CB 4.31Å; F1683-Q1778 HydrophobicContact CE1-CB 4.21Å; F1683-Q1778 HydrophobicContact CE2-CB 3.75Å; F1683-Q1778 VanDerWaalsContact CG-OE1 3.3Å; F1683-Q1778 HydrophobicContact CZ-CB 3.69Å; S1774-Q1778 WeakPolarHBondContact O-CB 3.48Å; S1774-Q1778 VanDerWaalsContact O-CG 3.31Å; S1774-Q1778 WeakPolarHBondContact O-CG 3.34Å; S1774-Q1778 PolarHBondContact O-N 3.19Å; S1774-Q1778 VanDerWaalsContact O-N 3.13Å; L1775-Q1778 PolarHBondContact O-N 3.39Å; Q1778-R1780 PolarHBondContact O-N 3.21Å; Q1778-L1841 HydrophobicContact CG-CB 4.09Å; Q1778-L1841 HydrophobicContact CG-CD1 4.09Å; Q1778-L1841 HydrophobicContact CG-CG 4.46Å |
| 1779 | L | 69.7 | Low | 67 | Low | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.9 | -13.8 | -177 | -68 | 172.1 | 0 | 0 | 0 | 114.5 | T1681 F1683 L1775 M1776 L1784 I1806 | T1681-L1779 HydrophobicContact CG2-CD2 4.28Å; F1683-L1779 HydrophobicContact CE2-CD2 3.82Å; F1683-L1779 HydrophobicContact CE2-CG 4.13Å; F1683-L1779 HydrophobicContact CZ-CD2 4.29Å; L1775-L1779 HydrophobicContact CD1-CD1 3.97Å; L1775-L1779 HydrophobicContact CD1-CG 4.25Å; L1775-L1779 HydrophobicContact CD2-CD1 4.49Å; L1775-L1779 HydrophobicContact CG-CD1 3.79Å; L1775-L1779 HydrophobicContact CG-CG 4.41Å; L1775-L1779 WeakPolarHBondContact O-CB 3.23Å; L1775-L1779 WeakPolarHBondContact O-CG 3.22Å; L1775-L1779 PolarHBondContact O-N 3.35Å; M1776-L1779 HydrophobicContact CE-CD1 3.95Å; M1776-L1779 PolarHBondContact O-N 3.38Å; L1779-L1784 HydrophobicContact CD2-CD2 3.52Å; L1779-I1806 HydrophobicContact CB-CD1 3.66Å; L1779-I1806 HydrophobicContact CB-CG1 4.48Å |
| 1780 | R | 68.2 | Low | 66.3 | Low | 91 Ų | 91 | 35.6 Ų | 35.6 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -36.4 | -178.1 | -171.5 | 176.5 | 179.2 | 162.5 | 2.4 | 113.3 | M1776 Q1778 S1847 D1851 | M1776-R1780 PolarHBondContact O-N 3.04Å; Q1778-R1780 PolarHBondContact O-N 3.21Å; R1780-S1847 PolarHBondContact NH1-OG 3.06Å; R1780-S1847 PolarHBondContact NH2-OG 3.03Å; R1780-D1851 IonicContact CZ-OD2 3.82Å; R1780-D1851 VanDerWaalsContact CZ-OD2 3.25Å; R1780-D1851 IonicContact NH1-OD2 3.67Å; R1780-D1851 PolarHBondContact NH1-OD2 3.42Å; R1780-D1851 IonicContact NH2-OD1 3.69Å; R1780-D1851 IonicContact NH2-OD2 3.46Å; R1780-D1851 PolarHBondContact NH2-OD2 2.83Å |
| 1781 | K | 60.9 | Low | 65.6 | Low | 97 Ų | 97 | 39.8 Ų | 39.8 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -28.4 | -173.7 | -156.7 | 172.9 | -172.8 | 166.5 | 0 | 113.4 | N1783 I1840 H1843 D1917 | K1781-N1783 PolarHBondContact O-N 3.42Å; K1781-I1840 HydrophobicContact CB-CG2 4.37Å; K1781-H1843 PolarHBondContact NZ-NE2 3.27Å; K1781-H1843 VanDerWaalsContact NZ-NE2 3.17Å; K1781-D1917 IonicContact NZ-OD2 3.27Å; K1781-D1917 PolarHBondContact NZ-OD2 3.37Å |
| 1782 | D | 62.2 | Low | 64.8 | Low | 35 Ų | 35 | 43.2 Ų | 43.2 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -69.5 | 129.5 | -177 | -71.5 | -21.7 | 0 | 0 | 0 | 112 | L1784 L1787 I1840 | D1782-L1784 PolarHBondContact O-N 3.09Å; D1782-L1787 HydrophobicContact CB-CD1 3.37Å; D1782-L1787 HydrophobicContact CB-CG 4.11Å; D1782-I1840 WeakPolarHBondContact OD1-CD1 3.49Å |
| 1783 | N | 61.2 | Low | 63.8 | Low | 116 Ų | 116 | 51.2 Ų | 51.2 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | trans | -61.1 | 102.7 | 173.2 | -87.8 | -27.4 | 0 | 0 | 0 | 109.2 | K1781 S1785 T1786 L1787 | K1781-N1783 PolarHBondContact O-N 3.42Å; N1783-S1785 PolarHBondContact O-N 3.16Å; N1783-T1786 HydrophobicContact CB-CG2 3.96Å; N1783-T1786 PolarHBondContact O-N 3.13Å; N1783-T1786 PolarHBondContact O-OG1 2.94Å; N1783-L1787 PolarHBondContact O-N 3.49Å | ||
| 1784 | L | 57.9 | Low | 62.8 | Low | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.4 | -29.4 | -175.3 | -65.3 | 165.1 | 0 | 0 | 0 | 112.5 | R1716 L1779 D1782 T1788 F1799 I1802 | R1716-L1784 VanDerWaalsContact CZ-CD2 3.47Å; R1716-L1784 VanDerWaalsContact NH1-CD1 3.33Å; R1716-L1784 VanDerWaalsContact NH1-CG 3.34Å; L1779-L1784 HydrophobicContact CD2-CD2 3.52Å; D1782-L1784 PolarHBondContact O-N 3.09Å; L1784-T1788 WeakPolarHBondContact O-CG2 2.94Å; L1784-T1788 PolarHBondContact O-N 2.84Å; L1784-T1788 VanDerWaalsContact O-N 3.1Å; L1784-T1788 PolarHBondContact O-OG1 3.39Å; L1784-F1799 HydrophobicContact CB-CD1 3.44Å; L1784-F1799 VanDerWaalsContact CB-CD1 3.44Å; L1784-F1799 HydrophobicContact CB-CE1 3.44Å; L1784-F1799 VanDerWaalsContact CB-CE1 3.44Å; L1784-F1799 HydrophobicContact CB-CG 4.39Å; L1784-F1799 HydrophobicContact CB-CZ 4.35Å; L1784-F1799 HydrophobicContact CD1-CD1 4.08Å; L1784-F1799 HydrophobicContact CG-CD1 4.42Å; L1784-I1802 HydrophobicContact CD1-CB 4.01Å; L1784-I1802 HydrophobicContact CD1-CG2 3.44Å; L1784-I1802 VanDerWaalsContact CD1-CG2 3.44Å |
| 1785 | S | 59.8 | Low | 61.7 | Low | 27 Ų | 27 | 62.6 Ų | 62.6 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.2 | 54.5 | 0 | 0 | 0 | 0 | 113 | N1783 G1789 C1790 | N1783-S1785 PolarHBondContact O-N 3.16Å; S1785-G1789 PolarHBondContact O-N 2.92Å; S1785-G1789 VanDerWaalsContact O-N 3.13Å; S1785-C1790 PolarHBondContact O-N 3.39Å |
| 1786 | T | 62.5 | Low | 60.7 | Low | 101 Ų | 101 | 63.7 Ų | 63.7 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -71.1 | -42.6 | 179.6 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | N1783 | N1783-T1786 HydrophobicContact CB-CG2 3.96Å; N1783-T1786 PolarHBondContact O-N 3.13Å; N1783-T1786 PolarHBondContact O-OG1 2.94Å |
| 1787 | L | 52.8 | Low | 59.9 | Low | 44 Ų | 44 | 67.5 Ų | 67.5 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | -179.3 | -72.4 | 177.5 | 0 | 0 | 0 | 113.5 | F1683 D1782 N1783 | F1683-L1787 HydrophobicContact CE1-CD1 3.81Å; F1683-L1787 HydrophobicContact CE1-CD2 4.11Å; F1683-L1787 HydrophobicContact CZ-CD1 3.48Å; F1683-L1787 VanDerWaalsContact CZ-CD1 3.48Å; D1782-L1787 HydrophobicContact CB-CD1 3.37Å; D1782-L1787 HydrophobicContact CB-CG 4.11Å; N1783-L1787 PolarHBondContact O-N 3.49Å |
| 1788 | T | 60.1 | Low | 58.5 | Low | 38 Ų | 38 | 71.1 Ų | 71.1 | 23% | 0.233 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -97.4 | -1.7 | -178.1 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | R1716 L1784 C1790 | R1716-T1788 VanDerWaalsContact NH2-CG2 3.3Å; L1784-T1788 WeakPolarHBondContact O-CG2 2.94Å; L1784-T1788 PolarHBondContact O-N 2.84Å; L1784-T1788 VanDerWaalsContact O-N 3.1Å; L1784-T1788 PolarHBondContact O-OG1 3.39Å; T1788-C1790 PolarHBondContact O-N 3.15Å; T1788-C1790 PolarHBondContact O-SG 3.45Å; T1788-C1790 WeakPolarHBondContact OG1-CB 3.48Å; T1788-C1790 PolarHBondContact OG1-SG 3.17Å |
| 1789 | G | 52.5 | Low | 57.5 | Low | 71 Ų | 71 | 71.3 Ų | 71.3 | 73% | 0.732 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 25.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1785 | S1785-G1789 PolarHBondContact O-N 2.92Å; S1785-G1789 VanDerWaalsContact O-N 3.13Å |
| 1790 | C | 54.5 | Low | 57 | Low | 38 Ų | 38 | 79.3 Ų | 79.3 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | trans | -92.4 | 135.2 | -175.5 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | S1785 T1788 P1792 F1799 | S1785-C1790 PolarHBondContact O-N 3.39Å; T1788-C1790 PolarHBondContact O-N 3.15Å; T1788-C1790 PolarHBondContact O-SG 3.45Å; T1788-C1790 WeakPolarHBondContact OG1-CB 3.48Å; T1788-C1790 PolarHBondContact OG1-SG 3.17Å; C1790-P1792 WeakPolarHBondContact O-CD 3.21Å; C1790-F1799 HydrophobicContact CB-CZ 3.99Å | ||
| 1791 | N | 56.6 | Low | 56.3 | Low | 90 Ų | 90 | 80.3 Ų | 80.3 | 48% | 0.481 | 43% | 0.43 | S | S | . | . | trans | -60.9 | 116.5 | 179.8 | -178 | -22.8 | 0 | 0 | 0 | 110.4 | E1793 R1794 S1795 | N1791-E1793 VanDerWaalsContact C-N 3.3Å; N1791-E1793 PolarHBondContact O-N 3.47Å; N1791-E1793 PolarHBondContact OD1-N 2.84Å; N1791-R1794 PolarHBondContact O-N 2.95Å; N1791-S1795 PolarHBondContact O-N 3.47Å; N1791-S1795 PolarHBondContact O-OG 3.28Å | ||
| 1792 | P | 56.2 | Low | 55.9 | Low | 77 Ų | 77 | 76.1 Ų | 76.1 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -33.1 | -171.3 | 24 | -34 | 0 | 0 | 0 | 113.4 | C1790 R1794 S1795 G1796 | C1790-P1792 WeakPolarHBondContact O-CD 3.21Å; P1792-R1794 PolarHBondContact O-N 3.43Å; P1792-S1795 PolarHBondContact O-N 3.07Å; P1792-G1796 PolarHBondContact O-N 2.95Å |
| 1793 | E | 53.4 | Low | 55.8 | Low | 175 Ų | 175 | 77.7 Ų | 77.7 | 82% | 0.818 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | -178.2 | -65.8 | -172.7 | 170.6 | 0 | 0 | 112.4 | N1791 S1795 | N1791-E1793 VanDerWaalsContact C-N 3.3Å; N1791-E1793 PolarHBondContact O-N 3.47Å; N1791-E1793 PolarHBondContact OD1-N 2.84Å; E1793-S1795 VanDerWaalsContact C-N 3.35Å |
| 1794 | R | 52.2 | Low | 55.7 | Low | 223 Ų | 223 | 76.6 Ų | 76.6 | 84% | 0.842 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -79.9 | -18.7 | 179.1 | -69.8 | -172.3 | 178.9 | -175.6 | 0.2 | 113.2 | N1791 P1792 | N1791-R1794 PolarHBondContact O-N 2.95Å; P1792-R1794 PolarHBondContact O-N 3.43Å |
| 1795 | S | 54.1 | Low | 55.6 | Low | 18 Ų | 18 | 76.4 Ų | 76.4 | 13% | 0.126 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -115.5 | 3 | -172.6 | 52 | 0 | 0 | 0 | 0 | 114.4 | N1791 P1792 E1793 V1798 F1799 | N1791-S1795 PolarHBondContact O-N 3.47Å; N1791-S1795 PolarHBondContact O-OG 3.28Å; P1792-S1795 PolarHBondContact O-N 3.07Å; E1793-S1795 VanDerWaalsContact C-N 3.35Å; S1795-V1798 WeakPolarHBondContact O-CA 3.49Å; S1795-V1798 WeakPolarHBondContact O-CB 3.5Å; S1795-V1798 PolarHBondContact O-N 3.5Å; S1795-F1799 VanDerWaalsContact O-CD2 3.32Å; S1795-F1799 WeakPolarHBondContact O-CD2 3.31Å; S1795-F1799 PolarHBondContact O-N 2.99Å; S1795-F1799 WeakPolarHBondContact OG-CE2 3.4Å; S1795-F1799 WeakPolarHBondContact OG-CZ 3.49Å |
| 1796 | G | 54.5 | Low | 55.7 | Low | 31 Ų | 31 | 75.4 Ų | 75.4 | 32% | 0.32 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -49.7 | -47.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1792 V1798 F1799 R1800 | P1792-G1796 PolarHBondContact O-N 2.95Å; G1796-V1798 VanDerWaalsContact C-N 3.33Å; G1796-V1798 PolarHBondContact O-N 3.13Å; G1796-F1799 PolarHBondContact O-N 2.97Å; G1796-R1800 PolarHBondContact O-N 3.08Å |
| 1797 | P | 55.6 | Low | 55.6 | Low | 86 Ų | 86 | 75.1 Ų | 75.1 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.3 | -39.1 | 176.6 | -21.7 | 32.5 | 0 | 0 | 0 | 112.6 | R1800 Q1801 | P1797-R1800 PolarHBondContact O-N 3.05Å; P1797-Q1801 WeakPolarHBondContact O-CG 3.46Å; P1797-Q1801 PolarHBondContact O-N 3.4Å |
| 1798 | V | 50.3 | Low | 55.9 | Low | 75 Ų | 75 | 76.2 Ų | 76.2 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 179 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | S1795 G1796 R1800 Q1801 I1802 | S1795-V1798 WeakPolarHBondContact O-CA 3.49Å; S1795-V1798 WeakPolarHBondContact O-CB 3.5Å; S1795-V1798 PolarHBondContact O-N 3.5Å; G1796-V1798 VanDerWaalsContact C-N 3.33Å; G1796-V1798 PolarHBondContact O-N 3.13Å; V1798-R1800 PolarHBondContact O-N 3.21Å; V1798-Q1801 WeakPolarHBondContact O-CB 3.31Å; V1798-Q1801 PolarHBondContact O-N 3.4Å; V1798-I1802 HydrophobicContact CG1-CD1 3.82Å; V1798-I1802 VanDerWaalsContact O-CD1 3.27Å; V1798-I1802 WeakPolarHBondContact O-CD1 3.22Å; V1798-I1802 WeakPolarHBondContact O-CG1 3.45Å; V1798-I1802 PolarHBondContact O-N 3.49Å |
| 1799 | F | 53.1 | Low | 55.9 | Low | 34 Ų | 34 | 75 Ų | 75 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 175.9 | -67.7 | -45.6 | 0 | 0 | 0 | 113.4 | L1784 C1790 S1795 G1796 I1802 S1803 | L1784-F1799 HydrophobicContact CB-CD1 3.44Å; L1784-F1799 VanDerWaalsContact CB-CD1 3.44Å; L1784-F1799 HydrophobicContact CB-CE1 3.44Å; L1784-F1799 VanDerWaalsContact CB-CE1 3.44Å; L1784-F1799 HydrophobicContact CB-CG 4.39Å; L1784-F1799 HydrophobicContact CB-CZ 4.35Å; L1784-F1799 HydrophobicContact CD1-CD1 4.08Å; L1784-F1799 HydrophobicContact CG-CD1 4.42Å; C1790-F1799 HydrophobicContact CB-CZ 3.99Å; S1795-F1799 VanDerWaalsContact O-CD2 3.32Å; S1795-F1799 WeakPolarHBondContact O-CD2 3.31Å; S1795-F1799 PolarHBondContact O-N 2.99Å; S1795-F1799 WeakPolarHBondContact OG-CE2 3.4Å; S1795-F1799 WeakPolarHBondContact OG-CZ 3.49Å; G1796-F1799 PolarHBondContact O-N 2.97Å; F1799-I1802 HydrophobicContact CD1-CD1 3.96Å; F1799-I1802 PolarHBondContact O-N 3.24Å; F1799-S1803 PolarHBondContact O-N 2.95Å |
| 1800 | R | 58.6 | Low | 56.4 | Low | 181 Ų | 181 | 72.1 Ų | 72.1 | 68% | 0.683 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 174.4 | -167.9 | -179.7 | -71.2 | 156.2 | -3.3 | 111.5 | G1796 P1797 V1798 I1802 S1803 N1804 | G1796-R1800 PolarHBondContact O-N 3.08Å; P1797-R1800 PolarHBondContact O-N 3.05Å; V1798-R1800 PolarHBondContact O-N 3.21Å; R1800-I1802 VanDerWaalsContact C-N 3.33Å; R1800-I1802 PolarHBondContact O-N 3.11Å; R1800-S1803 PolarHBondContact O-N 3.46Å; R1800-N1804 WeakPolarHBondContact O-CB 3.32Å; R1800-N1804 PolarHBondContact O-N 2.85Å; R1800-N1804 PolarHBondContact O-OD1 2.64Å |
| 1801 | Q | 53 | Low | 56.7 | Low | 112 Ų | 112 | 75.1 Ų | 75.1 | 52% | 0.523 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 173 | -74.2 | 174.1 | -3.7 | 0 | 0 | 111.6 | P1797 V1798 N1804 L1805 | P1797-Q1801 WeakPolarHBondContact O-CG 3.46Å; P1797-Q1801 PolarHBondContact O-N 3.4Å; V1798-Q1801 WeakPolarHBondContact O-CB 3.31Å; V1798-Q1801 PolarHBondContact O-N 3.4Å; Q1801-N1804 PolarHBondContact O-N 3.15Å; Q1801-L1805 VanDerWaalsContact O-CB 3.24Å; Q1801-L1805 WeakPolarHBondContact O-CB 2.9Å; Q1801-L1805 PolarHBondContact O-N 3.17Å |
| 1802 | I | 53.9 | Low | 56.9 | Low | 9 Ų | 9 | 72.7 Ų | 72.7 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.7 | -65.4 | 155.6 | 0 | 0 | 0 | 111.4 | R1716 L1784 V1798 F1799 R1800 L1805 I1806 | R1716-I1802 HydrophobicContact CB-CG1 4.08Å; R1716-I1802 HydrophobicContact CG-CD1 4.49Å; R1716-I1802 HydrophobicContact CG-CG1 4.44Å; L1784-I1802 HydrophobicContact CD1-CB 4.01Å; L1784-I1802 HydrophobicContact CD1-CG2 3.44Å; L1784-I1802 VanDerWaalsContact CD1-CG2 3.44Å; V1798-I1802 HydrophobicContact CG1-CD1 3.82Å; V1798-I1802 VanDerWaalsContact O-CD1 3.27Å; V1798-I1802 WeakPolarHBondContact O-CD1 3.22Å; V1798-I1802 WeakPolarHBondContact O-CG1 3.45Å; V1798-I1802 PolarHBondContact O-N 3.49Å; F1799-I1802 HydrophobicContact CD1-CD1 3.96Å; F1799-I1802 PolarHBondContact O-N 3.24Å; R1800-I1802 VanDerWaalsContact C-N 3.33Å; R1800-I1802 PolarHBondContact O-N 3.11Å; I1802-L1805 PolarHBondContact O-N 3.18Å; I1802-I1806 HydrophobicContact CG2-CD1 3.6Å; I1802-I1806 HydrophobicContact CG2-CG1 4.25Å; I1802-I1806 WeakPolarHBondContact O-CB 3.49Å; I1802-I1806 WeakPolarHBondContact O-CD1 3.34Å; I1802-I1806 VanDerWaalsContact O-CG1 3.22Å; I1802-I1806 WeakPolarHBondContact O-CG1 3.49Å; I1802-I1806 PolarHBondContact O-N 2.95Å |
| 1803 | S | 59.3 | Low | 57.3 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 178.3 | -167.4 | 0 | 0 | 0 | 0 | 111.3 | F1799 R1800 L1805 I1806 E1807 | F1799-S1803 PolarHBondContact O-N 2.95Å; R1800-S1803 PolarHBondContact O-N 3.46Å; S1803-L1805 VanDerWaalsContact C-N 3.3Å; S1803-L1805 PolarHBondContact O-N 2.92Å; S1803-I1806 PolarHBondContact O-N 3.47Å; S1803-E1807 WeakPolarHBondContact O-CB 3.35Å; S1803-E1807 PolarHBondContact O-N 3.17Å |
| 1804 | N | 59.8 | Low | 57.7 | Low | 93 Ų | 93 | 63.3 Ų | 63.3 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 176.6 | -68.9 | -0.8 | 0 | 0 | 0 | 111.7 | R1800 Q1801 E1807 H1808 | R1800-N1804 WeakPolarHBondContact O-CB 3.32Å; R1800-N1804 PolarHBondContact O-N 2.85Å; R1800-N1804 PolarHBondContact O-OD1 2.64Å; Q1801-N1804 PolarHBondContact O-N 3.15Å; N1804-E1807 PolarHBondContact O-N 3.39Å; N1804-H1808 VanDerWaalsContact O-CB 3.31Å; N1804-H1808 WeakPolarHBondContact O-CB 3.47Å; N1804-H1808 PolarHBondContact O-N 2.99Å |
| 1805 | L | 55.4 | Low | 57.9 | Low | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 177.2 | -175.9 | 112.3 | 0 | 0 | 0 | 111.4 | D1717 L1720 Q1801 I1802 S1803 E1807 H1808 I1809 | D1717-L1805 HydrophobicContact CB-CD1 3.66Å; D1717-L1805 HydrophobicContact CB-CD2 4.36Å; L1720-L1805 HydrophobicContact CD1-CD2 4.4Å; Q1801-L1805 VanDerWaalsContact O-CB 3.24Å; Q1801-L1805 WeakPolarHBondContact O-CB 2.9Å; Q1801-L1805 PolarHBondContact O-N 3.17Å; I1802-L1805 PolarHBondContact O-N 3.18Å; S1803-L1805 VanDerWaalsContact C-N 3.3Å; S1803-L1805 PolarHBondContact O-N 2.92Å; L1805-E1807 VanDerWaalsContact C-N 3.28Å; L1805-E1807 PolarHBondContact O-N 2.85Å; L1805-H1808 PolarHBondContact O-N 2.71Å; L1805-I1809 HydrophobicContact CD2-CD1 3.41Å; L1805-I1809 VanDerWaalsContact CD2-CD1 3.41Å; L1805-I1809 HydrophobicContact CD2-CG1 4.48Å; L1805-I1809 HydrophobicContact CG-CD1 3.7Å; L1805-I1809 HydrophobicContact CG-CG1 4.28Å; L1805-I1809 WeakPolarHBondContact O-CB 3.28Å; L1805-I1809 WeakPolarHBondContact O-CD1 3.39Å; L1805-I1809 WeakPolarHBondContact O-CG1 3.45Å; L1805-I1809 PolarHBondContact O-N 3.26Å |
| 1806 | I | 60.4 | Low | 58 | Low | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 174.4 | -69.5 | 161.9 | 0 | 0 | 0 | 110 | M1776 L1779 I1802 S1803 I1809 H1810 | M1776-I1806 HydrophobicContact CE-CG1 3.93Å; M1776-I1806 HydrophobicContact CE-CG2 4.41Å; L1779-I1806 HydrophobicContact CB-CD1 3.66Å; L1779-I1806 HydrophobicContact CB-CG1 4.48Å; I1802-I1806 HydrophobicContact CG2-CD1 3.6Å; I1802-I1806 HydrophobicContact CG2-CG1 4.25Å; I1802-I1806 WeakPolarHBondContact O-CB 3.49Å; I1802-I1806 WeakPolarHBondContact O-CD1 3.34Å; I1802-I1806 VanDerWaalsContact O-CG1 3.22Å; I1802-I1806 WeakPolarHBondContact O-CG1 3.49Å; I1802-I1806 PolarHBondContact O-N 2.95Å; S1803-I1806 PolarHBondContact O-N 3.47Å; I1806-I1809 PolarHBondContact O-N 2.84Å; I1806-H1810 WeakPolarHBondContact O-CB 3.42Å; I1806-H1810 PolarHBondContact O-N 3.4Å; I1806-H1810 PolarHBondContact O-ND1 3Å; I1806-H1810 VanDerWaalsContact O-ND1 3.1Å |
| 1807 | E | 62.1 | Low | 58.3 | Low | 94 Ų | 94 | 56 Ų | 56 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.9 | -160.5 | -166.1 | 142.4 | 0 | 0 | 111.9 | S1803 N1804 L1805 H1810 K1811 | S1803-E1807 WeakPolarHBondContact O-CB 3.35Å; S1803-E1807 PolarHBondContact O-N 3.17Å; N1804-E1807 PolarHBondContact O-N 3.39Å; L1805-E1807 VanDerWaalsContact C-N 3.28Å; L1805-E1807 PolarHBondContact O-N 2.85Å; E1807-H1810 PolarHBondContact O-N 3.29Å; E1807-K1811 WeakPolarHBondContact O-CG 3.26Å; E1807-K1811 PolarHBondContact O-N 3.41Å; E1807-K1811 WeakPolarHBondContact OE1-CE 3.42Å; E1807-K1811 IonicContact OE1-NZ 2.87Å; E1807-K1811 PolarHBondContact OE1-NZ 2.84Å |
| 1808 | H | 58.7 | Low | 58.7 | Low | 68 Ų | 68 | 57.2 Ų | 57.2 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.7 | -168.8 | 76.8 | 0 | 0 | 0 | 112 | N1804 L1805 K1811 L1812 | N1804-H1808 VanDerWaalsContact O-CB 3.31Å; N1804-H1808 WeakPolarHBondContact O-CB 3.47Å; N1804-H1808 PolarHBondContact O-N 2.99Å; L1805-H1808 PolarHBondContact O-N 2.71Å; H1808-K1811 WeakPolarHBondContact O-CB 3.27Å; H1808-K1811 PolarHBondContact O-N 2.91Å; H1808-L1812 VanDerWaalsContact CD2-CD1 3.49Å; H1808-L1812 WeakPolarHBondContact CD2-CD1 3.13Å; H1808-L1812 WeakPolarHBondContact O-CG 3.41Å; H1808-L1812 PolarHBondContact O-N 3.3Å |
| 1809 | I | 58.6 | Low | 59.6 | Low | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.2 | -66.3 | 165 | 0 | 0 | 0 | 110.3 | L1720 I1724 M1776 L1805 I1806 K1811 L1812 F1813 | L1720-I1809 HydrophobicContact CB-CD1 3.48Å; L1720-I1809 VanDerWaalsContact CB-CD1 3.48Å; L1720-I1809 HydrophobicContact CD1-CD1 3.56Å; L1720-I1809 HydrophobicContact CG-CD1 4.09Å; I1724-I1809 HydrophobicContact CD1-CG1 3.84Å; M1776-I1809 HydrophobicContact SD-CB 4.22Å; M1776-I1809 HydrophobicContact SD-CD1 4.42Å; M1776-I1809 HydrophobicContact SD-CG2 3.58Å; M1776-I1809 VanDerWaalsContact SD-CG2 3.58Å; L1805-I1809 HydrophobicContact CD2-CD1 3.41Å; L1805-I1809 VanDerWaalsContact CD2-CD1 3.41Å; L1805-I1809 HydrophobicContact CD2-CG1 4.48Å; L1805-I1809 HydrophobicContact CG-CD1 3.7Å; L1805-I1809 HydrophobicContact CG-CG1 4.28Å; L1805-I1809 WeakPolarHBondContact O-CB 3.28Å; L1805-I1809 WeakPolarHBondContact O-CD1 3.39Å; L1805-I1809 WeakPolarHBondContact O-CG1 3.45Å; L1805-I1809 PolarHBondContact O-N 3.26Å; I1806-I1809 PolarHBondContact O-N 2.84Å; I1809-K1811 VanDerWaalsContact C-N 3.27Å; I1809-K1811 PolarHBondContact O-N 3.32Å; I1809-L1812 CarbonylContact O-C 3.55Å; I1809-L1812 PolarHBondContact O-N 2.96Å; I1809-L1812 VanDerWaalsContact O-N 3.16Å; I1809-F1813 WeakPolarHBondContact O-CB 3.38Å; I1809-F1813 PolarHBondContact O-N 2.89Å |
| 1810 | H | 63.2 | Low | 60.4 | Low | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 172.7 | -81.2 | 131 | 0 | 0 | 0 | 112 | F1777 I1806 E1807 F1848 | F1777-H1810 AromaticContact CD1-NE2 3.69Å; F1777-H1810 AromaticContact CE1-NE2 3.96Å; I1806-H1810 WeakPolarHBondContact O-CB 3.42Å; I1806-H1810 PolarHBondContact O-N 3.4Å; I1806-H1810 PolarHBondContact O-ND1 3Å; I1806-H1810 VanDerWaalsContact O-ND1 3.1Å; E1807-H1810 PolarHBondContact O-N 3.29Å; H1810-F1848 HydrophobicContact CB-CD2 4.49Å; H1810-F1848 AromaticContact CD2-CD2 3.57Å |
| 1811 | K | 62.3 | Low | 61 | Low | 100 Ų | 100 | 47.7 Ų | 47.7 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 173.4 | -69.9 | 172.2 | -172.9 | 167.7 | 0 | 111.9 | E1807 H1808 I1809 R1814 H1815 | E1807-K1811 WeakPolarHBondContact O-CG 3.26Å; E1807-K1811 PolarHBondContact O-N 3.41Å; E1807-K1811 WeakPolarHBondContact OE1-CE 3.42Å; E1807-K1811 IonicContact OE1-NZ 2.87Å; E1807-K1811 PolarHBondContact OE1-NZ 2.84Å; H1808-K1811 WeakPolarHBondContact O-CB 3.27Å; H1808-K1811 PolarHBondContact O-N 2.91Å; I1809-K1811 VanDerWaalsContact C-N 3.27Å; I1809-K1811 PolarHBondContact O-N 3.32Å; K1811-R1814 WeakPolarHBondContact O-CG 3.44Å; K1811-H1815 PolarHBondContact O-ND1 3.15Å |
| 1812 | L | 59.8 | Low | 62.1 | Low | 40 Ų | 40 | 42.4 Ų | 42.4 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.3 | -34.6 | 178.9 | -71.7 | 174.4 | 0 | 0 | 0 | 112.9 | I1724 H1808 I1809 R1814 H1815 V1816 | I1724-L1812 HydrophobicContact CD1-CD1 3.72Å; I1724-L1812 HydrophobicContact CG1-CD1 4.42Å; I1724-L1812 HydrophobicContact CG2-CD1 4.08Å; H1808-L1812 VanDerWaalsContact CD2-CD1 3.49Å; H1808-L1812 WeakPolarHBondContact CD2-CD1 3.13Å; H1808-L1812 WeakPolarHBondContact O-CG 3.41Å; H1808-L1812 PolarHBondContact O-N 3.3Å; I1809-L1812 CarbonylContact O-C 3.55Å; I1809-L1812 PolarHBondContact O-N 2.96Å; I1809-L1812 VanDerWaalsContact O-N 3.16Å; L1812-R1814 PolarHBondContact O-N 3.21Å; L1812-R1814 VanDerWaalsContact O-N 3.1Å; L1812-H1815 WeakPolarHBondContact O-CB 3.36Å; L1812-H1815 PolarHBondContact O-N 3.16Å; L1812-V1816 PolarHBondContact O-N 2.79Å |
| 1813 | F | 64.2 | Low | 63.2 | Low | 13 Ų | 13 | 42.6 Ų | 42.6 | 6% | 0.057 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -27.2 | -175.5 | -148.8 | -103 | 0 | 0 | 0 | 113 | F1751 L1772 L1773 I1809 H1815 V1816 L1822 F1848 | F1751-F1813 HydrophobicContact CZ-CE1 4.5Å; F1751-F1813 HydrophobicContact CZ-CZ 4.03Å; L1772-F1813 HydrophobicContact CD2-CE2 3.59Å; L1772-F1813 HydrophobicContact CD2-CZ 4.07Å; L1772-F1813 HydrophobicContact CG-CE2 4.28Å; L1773-F1813 HydrophobicContact CD1-CE1 4.29Å; L1773-F1813 HydrophobicContact CD2-CD1 3.79Å; L1773-F1813 HydrophobicContact CD2-CE1 3.28Å; L1773-F1813 HydrophobicContact CD2-CZ 3.85Å; L1773-F1813 HydrophobicContact CG-CE1 3.84Å; L1773-F1813 HydrophobicContact CG-CZ 4.06Å; I1809-F1813 WeakPolarHBondContact O-CB 3.38Å; I1809-F1813 PolarHBondContact O-N 2.89Å; F1813-H1815 PolarHBondContact O-N 2.87Å; F1813-V1816 HydrophobicContact CD2-CB 4.49Å; F1813-V1816 HydrophobicContact CD2-CG2 4.25Å; F1813-V1816 PolarHBondContact O-N 3.38Å; F1813-L1822 HydrophobicContact CD1-CD1 3.49Å; F1813-L1822 VanDerWaalsContact CD1-CD1 3.49Å; F1813-L1822 HydrophobicContact CE1-CD1 3.32Å; F1813-F1848 HydrophobicContact CB-CE2 4.44Å; F1813-F1848 HydrophobicContact CD1-CZ 4.41Å |
| 1814 | R | 63.1 | Low | 64 | Low | 42 Ų | 42 | 41 Ų | 41 | 16% | 0.158 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.2 | 173.1 | -51.7 | -179.6 | -169.3 | -172.6 | -3.2 | 113.1 | K1811 L1812 D1851 F1852 S1855 | K1811-R1814 WeakPolarHBondContact O-CG 3.44Å; L1812-R1814 PolarHBondContact O-N 3.21Å; L1812-R1814 VanDerWaalsContact O-N 3.1Å; R1814-D1851 PolarHBondContact NH1-O 3.28Å; R1814-D1851 PolarHBondContact NH2-O 3.1Å; R1814-D1851 VanDerWaalsContact NH2-O 3.15Å; R1814-F1852 HydrophobicContact CG-CD2 4.3Å; R1814-S1855 PolarHBondContact NH1-OG 3.16Å |
| 1815 | H | 55.5 | Low | 64.9 | Low | 84 Ų | 84 | 36.5 Ų | 36.5 | 39% | 0.389 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -7.9 | -176.9 | -54.5 | 87.9 | 0 | 0 | 0 | 113.3 | Q1731 K1811 L1812 F1813 Q1872 | Q1731-H1815 PolarHBondContact NE2-O 2.72Å; K1811-H1815 PolarHBondContact O-ND1 3.15Å; L1812-H1815 WeakPolarHBondContact O-CB 3.36Å; L1812-H1815 PolarHBondContact O-N 3.16Å; F1813-H1815 PolarHBondContact O-N 2.87Å; H1815-Q1872 PolarHBondContact NE2-NE2 3.13Å |
| 1816 | V | 57.3 | Low | 66.1 | Low | 20 Ų | 20 | 35.9 Ų | 35.9 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -62.9 | -175.1 | 174.6 | 0 | 0 | 0 | 0 | 107.5 | R1727 L1749 L1812 F1813 | R1727-V1816 VanDerWaalsContact CD-O 3.27Å; R1727-V1816 WeakPolarHBondContact CD-O 3.31Å; R1727-V1816 VanDerWaalsContact CZ-C 3.46Å; R1727-V1816 PolarHBondContact NE-O 2.92Å; R1727-V1816 PolarHBondContact NH1-O 2.97Å; R1727-V1816 PolarHBondContact NH2-O 3.35Å; L1749-V1816 HydrophobicContact CD1-CG1 4.34Å; L1812-V1816 PolarHBondContact O-N 2.79Å; F1813-V1816 HydrophobicContact CD2-CB 4.49Å; F1813-V1816 HydrophobicContact CD2-CG2 4.25Å; F1813-V1816 PolarHBondContact O-N 3.38Å |
| 1817 | T | 59.6 | Low | 67.1 | Low | 13 Ų | 13 | 37.1 Ų | 37.1 | 8% | 0.08 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -109.8 | 162.4 | -174 | 41.6 | 0 | 0 | 0 | 0 | 115.1 | F1751 V1819 | F1751-T1817 HydrophobicContact CD1-CG2 4.11Å; F1751-T1817 HydrophobicContact CD2-CG2 3.37Å; F1751-T1817 HydrophobicContact CE1-CG2 3.94Å; F1751-T1817 HydrophobicContact CE2-CG2 3.18Å; F1751-T1817 HydrophobicContact CG-CG2 3.84Å; F1751-T1817 HydrophobicContact CZ-CG2 3.5Å; T1817-V1819 PolarHBondContact O-N 3.36Å |
| 1818 | E | 63.9 | Low | 67.9 | Low | 112 Ų | 112 | 35.3 Ų | 35.3 | 52% | 0.523 | 17% | 0.168 | S | C | . | . | trans | -51.3 | 137.1 | 158.8 | -69.2 | 174.6 | -163.9 | 0 | 0 | 110 | S1820 Y1821 L1822 | E1818-S1820 PolarHBondContact O-N 2.88Å; E1818-S1820 VanDerWaalsContact O-N 3.17Å; E1818-Y1821 HydrophobicContact CB-CD2 4.06Å; E1818-Y1821 PolarHBondContact O-N 3.03Å; E1818-Y1821 WeakPolarHBondContact OE2-CE2 3.43Å; E1818-L1822 PolarHBondContact O-N 3.19Å | ||
| 1819 | V | 69.9 | Low | 69 | Low | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.7 | -31 | -174.5 | 172.2 | 0 | 0 | 0 | 0 | 112 | T1817 L1822 L1823 F1852 M1856 S1875 F1876 | T1817-V1819 PolarHBondContact O-N 3.36Å; V1819-L1822 PolarHBondContact O-N 2.86Å; V1819-L1823 HydrophobicContact CG1-CD1 3.69Å; V1819-L1823 HydrophobicContact CG1-CG 4.11Å; V1819-L1823 WeakPolarHBondContact O-CG 3.49Å; V1819-L1823 PolarHBondContact O-N 3.42Å; V1819-F1852 HydrophobicContact CB-CZ 4.48Å; V1819-F1852 HydrophobicContact CG1-CE1 4.2Å; V1819-F1852 HydrophobicContact CG1-CZ 3.7Å; V1819-F1852 HydrophobicContact CG2-CZ 4.01Å; V1819-M1856 HydrophobicContact CG2-CE 4.38Å; V1819-S1875 WeakPolarHBondContact CG2-OG 3.44Å; V1819-F1876 HydrophobicContact CG1-CB 4.48Å; V1819-F1876 HydrophobicContact CG1-CD2 3.89Å |
| 1820 | S | 69.1 | Low | 70 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.5 | -54.9 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | E1818 I1824 | E1818-S1820 PolarHBondContact O-N 2.88Å; E1818-S1820 VanDerWaalsContact O-N 3.17Å; S1820-I1824 WeakPolarHBondContact O-CD1 3.42Å; S1820-I1824 WeakPolarHBondContact O-CG1 3.26Å; S1820-I1824 PolarHBondContact O-N 2.76Å |
| 1821 | Y | 71.8 | Confident | 70.8 | Confident | 59 Ų | 59 | 34.4 Ų | 34.4 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72 | -31.7 | -178.4 | -63 | -65.1 | 0 | 0 | 0 | 113.1 | F1751 E1752 E1818 S1825 | F1751-Y1821 HydrophobicContact CB-CD1 4.48Å; F1751-Y1821 HydrophobicContact CB-CG 4.18Å; E1752-Y1821 HydrophobicContact CG-CE1 3.93Å; E1752-Y1821 HydrophobicContact CG-CE2 4.5Å; E1818-Y1821 HydrophobicContact CB-CD2 4.06Å; E1818-Y1821 PolarHBondContact O-N 3.03Å; E1818-Y1821 WeakPolarHBondContact OE2-CE2 3.43Å; Y1821-S1825 WeakPolarHBondContact O-CB 3.47Å; Y1821-S1825 PolarHBondContact O-N 3.45Å; Y1821-S1825 VanDerWaalsContact O-N 3.07Å; Y1821-S1825 PolarHBondContact O-OG 3.22Å |
| 1822 | L | 75.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.3 | -51.2 | 176.9 | 179 | 59.5 | 0 | 0 | 0 | 110.8 | L1773 F1813 E1818 V1819 S1825 I1826 F1848 F1852 | L1773-L1822 HydrophobicContact CD1-CD1 4.48Å; L1773-L1822 HydrophobicContact CD2-CD1 4.47Å; F1813-L1822 HydrophobicContact CD1-CD1 3.49Å; F1813-L1822 VanDerWaalsContact CD1-CD1 3.49Å; F1813-L1822 HydrophobicContact CE1-CD1 3.32Å; E1818-L1822 PolarHBondContact O-N 3.19Å; V1819-L1822 PolarHBondContact O-N 2.86Å; L1822-S1825 WeakPolarHBondContact O-CB 3.43Å; L1822-S1825 PolarHBondContact O-N 2.92Å; L1822-I1826 HydrophobicContact CD1-CD1 4.01Å; L1822-I1826 HydrophobicContact CD1-CG1 4.43Å; L1822-I1826 HydrophobicContact CG-CD1 3.9Å; L1822-I1826 WeakPolarHBondContact O-CG1 3.47Å; L1822-I1826 PolarHBondContact O-N 3.37Å; L1822-F1848 HydrophobicContact CD2-CE1 4.28Å; L1822-F1848 HydrophobicContact CD2-CZ 4.33Å; L1822-F1852 HydrophobicContact CD2-CE2 4.15Å |
| 1823 | L | 77.3 | Confident | 72.4 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | -177.5 | -67 | 174.6 | 0 | 0 | 0 | 112.4 | V1819 S1825 I1826 Q1827 L1849 F1852 F1876 M1879 L1890 | V1819-L1823 HydrophobicContact CG1-CD1 3.69Å; V1819-L1823 HydrophobicContact CG1-CG 4.11Å; V1819-L1823 WeakPolarHBondContact O-CG 3.49Å; V1819-L1823 PolarHBondContact O-N 3.42Å; L1823-S1825 VanDerWaalsContact C-N 3.31Å; L1823-S1825 PolarHBondContact O-N 2.95Å; L1823-I1826 HydrophobicContact CD2-CD1 4.5Å; L1823-I1826 PolarHBondContact O-N 3.43Å; L1823-Q1827 PolarHBondContact O-N 3.42Å; L1823-L1849 HydrophobicContact CD2-CD2 3.99Å; L1823-F1852 HydrophobicContact CD2-CD1 4.43Å; L1823-F1852 HydrophobicContact CD2-CE1 4.07Å; L1823-F1876 HydrophobicContact CD1-CD2 4.11Å; L1823-F1876 HydrophobicContact CD1-CE2 3.82Å; L1823-M1879 HydrophobicContact CD1-CE 3.56Å; L1823-L1890 HydrophobicContact CD2-CD2 3.94Å |
| 1824 | I | 77.3 | Confident | 72.9 | Confident | 34 Ų | 34 | 31.2 Ų | 31.2 | 17% | 0.174 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.3 | -67.2 | 167.3 | 0 | 0 | 0 | 110.6 | S1820 Q1827 I1828 L1886 | S1820-I1824 WeakPolarHBondContact O-CD1 3.42Å; S1820-I1824 WeakPolarHBondContact O-CG1 3.26Å; S1820-I1824 PolarHBondContact O-N 2.76Å; I1824-Q1827 WeakPolarHBondContact O-CB 3.37Å; I1824-Q1827 PolarHBondContact O-N 3.29Å; I1824-I1828 HydrophobicContact CG2-CD1 4.19Å; I1824-I1828 WeakPolarHBondContact O-CG1 3.35Å; I1824-I1828 PolarHBondContact O-N 2.85Å; I1824-I1828 VanDerWaalsContact O-N 3.11Å; I1824-L1886 HydrophobicContact CD1-CD1 4.38Å; I1824-L1886 HydrophobicContact CD1-CD2 4.49Å; I1824-L1886 HydrophobicContact CG1-CD2 4.1Å |
| 1825 | S | 77.5 | Confident | 73.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 178.4 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | F1751 Y1821 L1822 L1823 I1828 V1829 | F1751-S1825 WeakPolarHBondContact CD1-OG 3.38Å; Y1821-S1825 WeakPolarHBondContact O-CB 3.47Å; Y1821-S1825 PolarHBondContact O-N 3.45Å; Y1821-S1825 VanDerWaalsContact O-N 3.07Å; Y1821-S1825 PolarHBondContact O-OG 3.22Å; L1822-S1825 WeakPolarHBondContact O-CB 3.43Å; L1822-S1825 PolarHBondContact O-N 2.92Å; L1823-S1825 VanDerWaalsContact C-N 3.31Å; L1823-S1825 PolarHBondContact O-N 2.95Å; S1825-I1828 PolarHBondContact O-N 2.83Å; S1825-V1829 WeakPolarHBondContact O-CG2 3.2Å; S1825-V1829 PolarHBondContact O-N 2.89Å |
| 1826 | I | 81.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 175.4 | -66.4 | 163.8 | 0 | 0 | 0 | 110.9 | L1773 F1777 L1822 L1823 I1828 V1829 I1830 F1848 L1849 | L1773-I1826 HydrophobicContact CD1-CG1 4.08Å; F1777-I1826 HydrophobicContact CZ-CG1 4.28Å; L1822-I1826 HydrophobicContact CD1-CD1 4.01Å; L1822-I1826 HydrophobicContact CD1-CG1 4.43Å; L1822-I1826 HydrophobicContact CG-CD1 3.9Å; L1822-I1826 WeakPolarHBondContact O-CG1 3.47Å; L1822-I1826 PolarHBondContact O-N 3.37Å; L1823-I1826 HydrophobicContact CD2-CD1 4.5Å; L1823-I1826 PolarHBondContact O-N 3.43Å; I1826-I1828 VanDerWaalsContact C-N 3.32Å; I1826-I1828 PolarHBondContact O-N 3.38Å; I1826-V1829 WeakPolarHBondContact O-CB 3.39Å; I1826-V1829 PolarHBondContact O-N 3.41Å; I1826-V1829 VanDerWaalsContact O-N 3.1Å; I1826-I1830 HydrophobicContact CG2-CD1 3.86Å; I1826-I1830 HydrophobicContact CG2-CG1 4.33Å; I1826-I1830 WeakPolarHBondContact O-CG1 3.35Å; I1826-I1830 PolarHBondContact O-N 2.93Å; I1826-F1848 HydrophobicContact CD1-CD1 3.66Å; I1826-F1848 HydrophobicContact CD1-CE1 3.53Å; I1826-L1849 HydrophobicContact CD1-CD2 4.11Å; I1826-L1849 HydrophobicContact CG2-CD1 4.01Å; I1826-L1849 HydrophobicContact CG2-CD2 4.01Å; I1826-L1849 HydrophobicContact CG2-CG 4Å |
| 1827 | Q | 80.5 | Confident | 74.7 | Confident | 32 Ų | 32 | 41 Ų | 41 | 15% | 0.15 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.8 | -47.1 | 174.5 | -172 | -169.5 | -24.1 | 0 | 0 | 111.3 | L1823 I1824 V1829 I1830 E1831 L1890 T1893 | L1823-Q1827 PolarHBondContact O-N 3.42Å; I1824-Q1827 WeakPolarHBondContact O-CB 3.37Å; I1824-Q1827 PolarHBondContact O-N 3.29Å; Q1827-V1829 VanDerWaalsContact C-N 3.29Å; Q1827-V1829 PolarHBondContact O-N 3.39Å; Q1827-I1830 PolarHBondContact O-N 2.89Å; Q1827-E1831 PolarHBondContact NE2-OE1 3.33Å; Q1827-E1831 VanDerWaalsContact NE2-OE1 3.07Å; Q1827-E1831 PolarHBondContact O-N 3.1Å; Q1827-L1890 HydrophobicContact CB-CD1 3.82Å; Q1827-L1890 HydrophobicContact CG-CD1 4.33Å; Q1827-T1893 HydrophobicContact CG-CG2 4.36Å |
| 1828 | I | 79.5 | Confident | 75.6 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 29% | 0.292 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.5 | -64.8 | 165.2 | 0 | 0 | 0 | 111 | T1754 V1770 I1824 S1825 I1826 K1832 | T1754-I1828 HydrophobicContact CG2-CD1 4.01Å; V1770-I1828 HydrophobicContact CG1-CG2 4.12Å; V1770-I1828 HydrophobicContact CG2-CB 4.29Å; V1770-I1828 HydrophobicContact CG2-CD1 4.49Å; V1770-I1828 HydrophobicContact CG2-CG2 4.02Å; I1824-I1828 HydrophobicContact CG2-CD1 4.19Å; I1824-I1828 WeakPolarHBondContact O-CG1 3.35Å; I1824-I1828 PolarHBondContact O-N 2.85Å; I1824-I1828 VanDerWaalsContact O-N 3.11Å; S1825-I1828 PolarHBondContact O-N 2.83Å; I1826-I1828 VanDerWaalsContact C-N 3.32Å; I1826-I1828 PolarHBondContact O-N 3.38Å; I1828-K1832 VanDerWaalsContact O-CB 3.31Å; I1828-K1832 WeakPolarHBondContact O-CB 3.22Å; I1828-K1832 PolarHBondContact O-N 3.01Å |
| 1829 | V | 81.5 | Confident | 76 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 176.7 | 175 | 0 | 0 | 0 | 0 | 110.9 | V1770 L1773 F1777 S1825 I1826 Q1827 K1832 A1833 L1841 | V1770-V1829 HydrophobicContact CB-CG2 4.46Å; V1770-V1829 HydrophobicContact CG1-CG2 3.86Å; L1773-V1829 HydrophobicContact CB-CG2 3.96Å; L1773-V1829 HydrophobicContact CD1-CG2 4.45Å; F1777-V1829 HydrophobicContact CD2-CG1 3.7Å; F1777-V1829 HydrophobicContact CE2-CG1 3.93Å; S1825-V1829 WeakPolarHBondContact O-CG2 3.2Å; S1825-V1829 PolarHBondContact O-N 2.89Å; I1826-V1829 WeakPolarHBondContact O-CB 3.39Å; I1826-V1829 PolarHBondContact O-N 3.41Å; I1826-V1829 VanDerWaalsContact O-N 3.1Å; Q1827-V1829 VanDerWaalsContact C-N 3.29Å; Q1827-V1829 PolarHBondContact O-N 3.39Å; V1829-K1832 WeakPolarHBondContact O-CB 3.48Å; V1829-K1832 PolarHBondContact O-N 3.48Å; V1829-A1833 WeakPolarHBondContact O-CB 3.31Å; V1829-A1833 PolarHBondContact O-N 2.72Å; V1829-L1841 HydrophobicContact CG1-CD1 4.47Å; V1829-L1841 HydrophobicContact CG1-CD2 3.53Å; V1829-L1841 HydrophobicContact CG1-CG 4.12Å; V1829-L1841 WeakPolarHBondContact O-CD2 3.24Å |
| 1830 | I | 80 | Confident | 76.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.1 | -43.7 | 176.8 | -66.5 | 171.7 | 0 | 0 | 0 | 111.5 | I1826 Q1827 K1832 A1833 S1834 L1842 A1845 L1849 L1890 C1894 T1897 | I1826-I1830 HydrophobicContact CG2-CD1 3.86Å; I1826-I1830 HydrophobicContact CG2-CG1 4.33Å; I1826-I1830 WeakPolarHBondContact O-CG1 3.35Å; I1826-I1830 PolarHBondContact O-N 2.93Å; Q1827-I1830 PolarHBondContact O-N 2.89Å; I1830-K1832 VanDerWaalsContact C-N 3.27Å; I1830-K1832 PolarHBondContact O-N 3.42Å; I1830-A1833 VanDerWaalsContact O-CB 3.28Å; I1830-A1833 WeakPolarHBondContact O-CB 3.37Å; I1830-A1833 PolarHBondContact O-N 2.9Å; I1830-A1833 VanDerWaalsContact O-N 3.15Å; I1830-S1834 PolarHBondContact O-N 3.49Å; I1830-L1842 HydrophobicContact CG2-CD1 4.32Å; I1830-A1845 HydrophobicContact CD1-CB 4.26Å; I1830-A1845 HydrophobicContact CG1-CB 3.78Å; I1830-L1849 HydrophobicContact CD1-CD1 3.86Å; I1830-L1890 HydrophobicContact CD1-CD1 4.35Å; I1830-C1894 VanDerWaalsContact CD1-SG 3.52Å; I1830-T1897 HydrophobicContact CG2-CG2 4.32Å |
| 1831 | E | 79.7 | Confident | 76.7 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -38.3 | 173.8 | -74.8 | -179.8 | -164.4 | 0 | 0 | 111.7 | Q1827 S1834 K1835 | Q1827-E1831 PolarHBondContact NE2-OE1 3.33Å; Q1827-E1831 VanDerWaalsContact NE2-OE1 3.07Å; Q1827-E1831 PolarHBondContact O-N 3.1Å; E1831-S1834 PolarHBondContact O-N 3.28Å; E1831-K1835 WeakPolarHBondContact O-CG 3.45Å; E1831-K1835 PolarHBondContact O-N 3.3Å; E1831-K1835 VanDerWaalsContact O-N 3.09Å |
| 1832 | K | 77.4 | Confident | 76.9 | Confident | 43 Ų | 43 | 39.7 Ų | 39.7 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 172.6 | 179.3 | 176.8 | 172.8 | 176.8 | 0 | 111.1 | E1766 I1828 V1829 I1830 S1834 K1835 T1836 | E1766-K1832 WeakPolarHBondContact OE1-CE 3.48Å; E1766-K1832 IonicContact OE1-NZ 2.76Å; E1766-K1832 PolarHBondContact OE1-NZ 3.09Å; E1766-K1832 IonicContact OE2-NZ 2.88Å; I1828-K1832 VanDerWaalsContact O-CB 3.31Å; I1828-K1832 WeakPolarHBondContact O-CB 3.22Å; I1828-K1832 PolarHBondContact O-N 3.01Å; V1829-K1832 WeakPolarHBondContact O-CB 3.48Å; V1829-K1832 PolarHBondContact O-N 3.48Å; I1830-K1832 VanDerWaalsContact C-N 3.27Å; I1830-K1832 PolarHBondContact O-N 3.42Å; K1832-S1834 PolarHBondContact O-N 2.86Å; K1832-K1835 PolarHBondContact O-N 3.18Å; K1832-K1835 VanDerWaalsContact O-N 3.07Å; K1832-T1836 HydrophobicContact CG-CG2 4.22Å; K1832-T1836 PolarHBondContact O-N 3.37Å; K1832-T1836 PolarHBondContact O-OG1 3.48Å |
| 1833 | A | 77.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V1829 I1830 T1836 N1837 S1838 L1841 L1842 | V1829-A1833 WeakPolarHBondContact O-CB 3.31Å; V1829-A1833 PolarHBondContact O-N 2.72Å; I1830-A1833 VanDerWaalsContact O-CB 3.28Å; I1830-A1833 WeakPolarHBondContact O-CB 3.37Å; I1830-A1833 PolarHBondContact O-N 2.9Å; I1830-A1833 VanDerWaalsContact O-N 3.15Å; A1833-T1836 PolarHBondContact O-N 2.87Å; A1833-T1836 PolarHBondContact O-OG1 3.44Å; A1833-N1837 PolarHBondContact O-N 3.49Å; A1833-N1837 VanDerWaalsContact O-N 3.13Å; A1833-S1838 PolarHBondContact O-N 3.39Å; A1833-S1838 VanDerWaalsContact O-N 3.14Å; A1833-L1841 HydrophobicContact CB-CD2 3.22Å; A1833-L1842 HydrophobicContact CB-CB 3.93Å; A1833-L1842 HydrophobicContact CB-CD1 4.05Å |
| 1834 | S | 75.1 | Confident | 77.1 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.7 | -48.7 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | I1830 E1831 K1832 T1836 N1837 R1901 | I1830-S1834 PolarHBondContact O-N 3.49Å; E1831-S1834 PolarHBondContact O-N 3.28Å; K1832-S1834 PolarHBondContact O-N 2.86Å; S1834-T1836 VanDerWaalsContact C-N 3.34Å; S1834-T1836 PolarHBondContact O-N 3.03Å; S1834-N1837 PolarHBondContact O-N 3.19Å; S1834-R1901 PolarHBondContact O-NH2 3.44Å |
| 1835 | K | 74.2 | Confident | 77.3 | Confident | 173 Ų | 173 | 38.8 Ų | 38.8 | 75% | 0.752 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.2 | -33.2 | 177.4 | -70 | 172.5 | -176.5 | 171.4 | 0 | 113.6 | E1831 K1832 | E1831-K1835 WeakPolarHBondContact O-CG 3.45Å; E1831-K1835 PolarHBondContact O-N 3.3Å; E1831-K1835 VanDerWaalsContact O-N 3.09Å; K1832-K1835 PolarHBondContact O-N 3.18Å; K1832-K1835 VanDerWaalsContact O-N 3.07Å |
| 1836 | T | 72.3 | Confident | 77.5 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 48% | 0.479 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 2.6 | -177.5 | 56 | 0 | 0 | 0 | 0 | 114.3 | K1832 A1833 S1834 S1838 | K1832-T1836 HydrophobicContact CG-CG2 4.22Å; K1832-T1836 PolarHBondContact O-N 3.37Å; K1832-T1836 PolarHBondContact O-OG1 3.48Å; A1833-T1836 PolarHBondContact O-N 2.87Å; A1833-T1836 PolarHBondContact O-OG1 3.44Å; S1834-T1836 VanDerWaalsContact C-N 3.34Å; S1834-T1836 PolarHBondContact O-N 3.03Å; T1836-S1838 PolarHBondContact O-N 2.86Å; T1836-S1838 VanDerWaalsContact O-N 3.14Å; T1836-S1838 PolarHBondContact OG1-OG 2.94Å; T1836-S1838 VanDerWaalsContact OG1-OG 3.05Å |
| 1837 | N | 68.7 | Low | 77.6 | Confident | 100 Ų | 100 | 39.3 Ų | 39.3 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 24.2 | -175.3 | -106.7 | 58.9 | 0 | 0 | 0 | 115.3 | A1833 S1834 N1839 R1901 | A1833-N1837 PolarHBondContact O-N 3.49Å; A1833-N1837 VanDerWaalsContact O-N 3.13Å; S1834-N1837 PolarHBondContact O-N 3.19Å; N1837-N1839 PolarHBondContact O-N 2.66Å; N1837-R1901 VanDerWaalsContact CA-NH2 3.32Å; N1837-R1901 VanDerWaalsContact CG-NH2 3.25Å; N1837-R1901 PolarHBondContact ND2-NH1 3.36Å; N1837-R1901 VanDerWaalsContact ND2-NH1 3.12Å; N1837-R1901 PolarHBondContact OD1-NH1 3.1Å; N1837-R1901 PolarHBondContact OD1-NH2 2.83Å |
| 1838 | S | 76.6 | Confident | 77.7 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | trans | -92.8 | 94.7 | -171.3 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | A1833 T1836 I1840 L1841 L1842 | A1833-S1838 PolarHBondContact O-N 3.39Å; A1833-S1838 VanDerWaalsContact O-N 3.14Å; T1836-S1838 PolarHBondContact O-N 2.86Å; T1836-S1838 VanDerWaalsContact O-N 3.14Å; T1836-S1838 PolarHBondContact OG1-OG 2.94Å; T1836-S1838 VanDerWaalsContact OG1-OG 3.05Å; S1838-I1840 VanDerWaalsContact C-N 3.27Å; S1838-I1840 PolarHBondContact O-N 3.27Å; S1838-L1841 PolarHBondContact O-N 2.88Å; S1838-L1841 WeakPolarHBondContact OG-CB 3.27Å; S1838-L1842 PolarHBondContact O-N 3.05Å | ||
| 1839 | N | 72.6 | Confident | 77.7 | Confident | 89 Ų | 89 | 35.2 Ų | 35.2 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.7 | -35.6 | 178.1 | -70.2 | -15 | 0 | 0 | 0 | 113.1 | N1837 L1842 H1843 M1918 | N1837-N1839 PolarHBondContact O-N 2.66Å; N1839-L1842 PolarHBondContact O-N 2.62Å; N1839-H1843 VanDerWaalsContact O-CB 3.28Å; N1839-H1843 WeakPolarHBondContact O-CB 3.33Å; N1839-H1843 PolarHBondContact O-N 3.26Å; N1839-M1918 HydrophobicContact CB-CE 4.3Å |
| 1840 | I | 76.5 | Confident | 77.6 | Confident | 65 Ų | 65 | 35.3 Ų | 35.3 | 33% | 0.333 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -46.6 | -179 | -60.7 | 148.6 | 0 | 0 | 0 | 111.4 | K1781 D1782 S1838 H1843 G1844 | K1781-I1840 HydrophobicContact CB-CG2 4.37Å; D1782-I1840 WeakPolarHBondContact OD1-CD1 3.49Å; S1838-I1840 VanDerWaalsContact C-N 3.27Å; S1838-I1840 PolarHBondContact O-N 3.27Å; I1840-H1843 PolarHBondContact O-N 3.34Å; I1840-G1844 PolarHBondContact O-N 3.3Å |
| 1841 | L | 77.5 | Confident | 77.5 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.5 | -36.5 | -178.5 | -176.8 | 152.2 | 0 | 0 | 0 | 111.1 | Q1778 V1829 A1833 S1838 G1844 A1845 | Q1778-L1841 HydrophobicContact CG-CB 4.09Å; Q1778-L1841 HydrophobicContact CG-CD1 4.09Å; Q1778-L1841 HydrophobicContact CG-CG 4.46Å; V1829-L1841 HydrophobicContact CG1-CD1 4.47Å; V1829-L1841 HydrophobicContact CG1-CD2 3.53Å; V1829-L1841 HydrophobicContact CG1-CG 4.12Å; V1829-L1841 WeakPolarHBondContact O-CD2 3.24Å; A1833-L1841 HydrophobicContact CB-CD2 3.22Å; S1838-L1841 PolarHBondContact O-N 2.88Å; S1838-L1841 WeakPolarHBondContact OG-CB 3.27Å; L1841-G1844 PolarHBondContact O-N 3.49Å; L1841-A1845 WeakPolarHBondContact O-CB 3.46Å; L1841-A1845 PolarHBondContact O-N 3.45Å |
| 1842 | L | 77.4 | Confident | 77.4 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 174.8 | -167.6 | 124.3 | 0 | 0 | 0 | 111.5 | I1830 A1833 S1838 N1839 A1845 L1846 V1898 M1918 | I1830-L1842 HydrophobicContact CG2-CD1 4.32Å; A1833-L1842 HydrophobicContact CB-CB 3.93Å; A1833-L1842 HydrophobicContact CB-CD1 4.05Å; S1838-L1842 PolarHBondContact O-N 3.05Å; N1839-L1842 PolarHBondContact O-N 2.62Å; L1842-A1845 PolarHBondContact O-N 3.13Å; L1842-L1846 HydrophobicContact CD2-CD1 3.73Å; L1842-L1846 HydrophobicContact CG-CD1 4.38Å; L1842-L1846 WeakPolarHBondContact O-CG 3.36Å; L1842-L1846 PolarHBondContact O-N 3.14Å; L1842-V1898 HydrophobicContact CD2-CG2 3.79Å; L1842-M1918 HydrophobicContact CD2-CE 4.07Å; L1842-M1918 HydrophobicContact CD2-CG 3.72Å; L1842-M1918 HydrophobicContact CD2-SD 3.44Å; L1842-M1918 WeakPolarHBondContact CD2-SD 3.16Å |
| 1843 | H | 79.6 | Confident | 77.2 | Confident | 28 Ų | 28 | 31.4 Ų | 31.4 | 13% | 0.13 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 173.3 | 177.6 | -69.5 | 0 | 0 | 0 | 111.9 | K1781 N1839 I1840 A1845 L1846 S1847 | K1781-H1843 PolarHBondContact NZ-NE2 3.27Å; K1781-H1843 VanDerWaalsContact NZ-NE2 3.17Å; N1839-H1843 VanDerWaalsContact O-CB 3.28Å; N1839-H1843 WeakPolarHBondContact O-CB 3.33Å; N1839-H1843 PolarHBondContact O-N 3.26Å; I1840-H1843 PolarHBondContact O-N 3.34Å; H1843-A1845 VanDerWaalsContact C-N 3.33Å; H1843-A1845 PolarHBondContact O-N 2.89Å; H1843-L1846 PolarHBondContact O-N 3.31Å; H1843-S1847 WeakPolarHBondContact O-CB 3.5Å; H1843-S1847 PolarHBondContact O-N 3.17Å |
| 1844 | G | 77.5 | Confident | 77 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1840 L1841 F1848 | I1840-G1844 PolarHBondContact O-N 3.3Å; L1841-G1844 PolarHBondContact O-N 3.49Å; G1844-F1848 WeakPolarHBondContact O-CB 3.43Å; G1844-F1848 PolarHBondContact O-N 3.12Å |
| 1845 | A | 81.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.5 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1777 I1830 L1841 L1842 H1843 F1848 L1849 | F1777-A1845 HydrophobicContact CD2-CB 3.68Å; F1777-A1845 HydrophobicContact CE2-CB 3.7Å; F1777-A1845 HydrophobicContact CG-CB 4.49Å; I1830-A1845 HydrophobicContact CD1-CB 4.26Å; I1830-A1845 HydrophobicContact CG1-CB 3.78Å; L1841-A1845 WeakPolarHBondContact O-CB 3.46Å; L1841-A1845 PolarHBondContact O-N 3.45Å; L1842-A1845 PolarHBondContact O-N 3.13Å; H1843-A1845 VanDerWaalsContact C-N 3.33Å; H1843-A1845 PolarHBondContact O-N 2.89Å; A1845-F1848 PolarHBondContact O-N 2.92Å; A1845-L1849 WeakPolarHBondContact O-CG 3.49Å; A1845-L1849 PolarHBondContact O-N 3.44Å |
| 1846 | L | 81.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.5 | -69.7 | 174.3 | 0 | 0 | 0 | 111.8 | L1842 H1843 F1848 L1849 S1850 C1894 V1898 M1918 C1921 L1922 S1925 | L1842-L1846 HydrophobicContact CD2-CD1 3.73Å; L1842-L1846 HydrophobicContact CG-CD1 4.38Å; L1842-L1846 WeakPolarHBondContact O-CG 3.36Å; L1842-L1846 PolarHBondContact O-N 3.14Å; H1843-L1846 PolarHBondContact O-N 3.31Å; L1846-F1848 VanDerWaalsContact C-N 3.35Å; L1846-L1849 PolarHBondContact O-N 2.88Å; L1846-S1850 PolarHBondContact O-N 3.14Å; L1846-C1894 HydrophobicContact CD2-CB 4.04Å; L1846-V1898 HydrophobicContact CD1-CG2 3.98Å; L1846-M1918 HydrophobicContact CD1-CG 4.08Å; L1846-C1921 HydrophobicContact CB-CB 4.01Å; L1846-L1922 HydrophobicContact CD1-CB 4.18Å; L1846-L1922 HydrophobicContact CD1-CD1 4.46Å; L1846-L1922 HydrophobicContact CD2-CD1 3.94Å; L1846-S1925 WeakPolarHBondContact O-CB 3.37Å |
| 1847 | S | 81.8 | Confident | 76 | Confident | 10 Ų | 10 | 20.2 Ų | 20.2 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.1 | -35.6 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 112 | R1780 H1843 S1850 D1851 | R1780-S1847 PolarHBondContact NH1-OG 3.06Å; R1780-S1847 PolarHBondContact NH2-OG 3.03Å; H1843-S1847 WeakPolarHBondContact O-CB 3.5Å; H1843-S1847 PolarHBondContact O-N 3.17Å; S1847-S1850 WeakPolarHBondContact CA-OG 3.13Å; S1847-S1850 PolarHBondContact O-OG 2.65Å; S1847-D1851 WeakPolarHBondContact O-CB 3.28Å; S1847-D1851 PolarHBondContact O-N 2.69Å |
| 1848 | F | 82.8 | Confident | 75.5 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 170.8 | -179.5 | -91.9 | 0 | 0 | 0 | 111.6 | F1777 H1810 F1813 L1822 I1826 G1844 A1845 L1846 D1851 F1852 | F1777-F1848 HydrophobicContact CD1-CB 4.27Å; F1777-F1848 HydrophobicContact CE1-CB 3.48Å; F1777-F1848 VanDerWaalsContact CE1-CB 3.48Å; F1777-F1848 HydrophobicContact CE1-CD1 4.19Å; F1777-F1848 HydrophobicContact CE1-CD2 4.02Å; F1777-F1848 AromaticContact CE1-CG 3.62Å; F1777-F1848 HydrophobicContact CE1-CG 3.62Å; F1777-F1848 HydrophobicContact CZ-CB 3.89Å; F1777-F1848 HydrophobicContact CZ-CD1 4.04Å; F1777-F1848 AromaticContact CZ-CG 3.93Å; F1777-F1848 HydrophobicContact CZ-CG 3.93Å; H1810-F1848 HydrophobicContact CB-CD2 4.49Å; H1810-F1848 AromaticContact CD2-CD2 3.57Å; F1813-F1848 HydrophobicContact CB-CE2 4.44Å; F1813-F1848 HydrophobicContact CD1-CZ 4.41Å; L1822-F1848 HydrophobicContact CD2-CE1 4.28Å; L1822-F1848 HydrophobicContact CD2-CZ 4.33Å; I1826-F1848 HydrophobicContact CD1-CD1 3.66Å; I1826-F1848 HydrophobicContact CD1-CE1 3.53Å; G1844-F1848 WeakPolarHBondContact O-CB 3.43Å; G1844-F1848 PolarHBondContact O-N 3.12Å; A1845-F1848 PolarHBondContact O-N 2.92Å; L1846-F1848 VanDerWaalsContact C-N 3.35Å; F1848-D1851 PolarHBondContact O-N 3.2Å; F1848-F1852 HydrophobicContact CE1-CB 4.44Å; F1848-F1852 WeakPolarHBondContact O-CB 3.5Å; F1848-F1852 PolarHBondContact O-N 3.26Å |
| 1849 | L | 80.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 176.4 | -74.6 | 175.5 | 0 | 0 | 0 | 112.4 | L1823 I1826 I1830 A1845 L1846 F1852 G1853 L1890 L1929 | L1823-L1849 HydrophobicContact CD2-CD2 3.99Å; I1826-L1849 HydrophobicContact CD1-CD2 4.11Å; I1826-L1849 HydrophobicContact CG2-CD1 4.01Å; I1826-L1849 HydrophobicContact CG2-CD2 4.01Å; I1826-L1849 HydrophobicContact CG2-CG 4Å; I1830-L1849 HydrophobicContact CD1-CD1 3.86Å; A1845-L1849 WeakPolarHBondContact O-CG 3.49Å; A1845-L1849 PolarHBondContact O-N 3.44Å; L1846-L1849 PolarHBondContact O-N 2.88Å; L1849-F1852 PolarHBondContact O-N 3.33Å; L1849-G1853 PolarHBondContact O-N 3.42Å; L1849-L1890 HydrophobicContact CD1-CD1 4.46Å; L1849-L1890 HydrophobicContact CD1-CD2 4.32Å; L1849-L1890 HydrophobicContact CD2-CD2 4.02Å; L1849-L1929 HydrophobicContact CD2-CD1 4.5Å |
| 1850 | S | 78.4 | Confident | 73.3 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 173.2 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | L1846 S1847 F1852 G1853 E1854 | L1846-S1850 PolarHBondContact O-N 3.14Å; S1847-S1850 WeakPolarHBondContact CA-OG 3.13Å; S1847-S1850 PolarHBondContact O-OG 2.65Å; S1850-F1852 PolarHBondContact O-N 3.11Å; S1850-G1853 PolarHBondContact O-N 3.11Å; S1850-E1854 WeakPolarHBondContact O-CB 3.48Å; S1850-E1854 WeakPolarHBondContact O-CG 3.32Å; S1850-E1854 PolarHBondContact O-N 3.17Å |
| 1851 | D | 77.3 | Confident | 71.8 | Confident | 33 Ų | 33 | 25.2 Ų | 25.2 | 18% | 0.176 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.4 | -28.6 | 179.6 | -63.4 | -17.4 | 0 | 0 | 0 | 111.9 | R1780 R1814 S1847 F1848 S1855 | R1780-D1851 IonicContact CZ-OD2 3.82Å; R1780-D1851 VanDerWaalsContact CZ-OD2 3.25Å; R1780-D1851 IonicContact NH1-OD2 3.67Å; R1780-D1851 PolarHBondContact NH1-OD2 3.42Å; R1780-D1851 IonicContact NH2-OD1 3.69Å; R1780-D1851 IonicContact NH2-OD2 3.46Å; R1780-D1851 PolarHBondContact NH2-OD2 2.83Å; R1814-D1851 PolarHBondContact NH1-O 3.28Å; R1814-D1851 PolarHBondContact NH2-O 3.1Å; R1814-D1851 VanDerWaalsContact NH2-O 3.15Å; S1847-D1851 WeakPolarHBondContact O-CB 3.28Å; S1847-D1851 PolarHBondContact O-N 2.69Å; F1848-D1851 PolarHBondContact O-N 3.2Å; D1851-S1855 PolarHBondContact O-N 3.49Å; D1851-S1855 PolarHBondContact O-OG 3.21Å |
| 1852 | F | 78.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.5 | -48.3 | 175 | -178.3 | -103.6 | 0 | 0 | 0 | 111.5 | R1814 V1819 L1822 L1823 F1848 L1849 S1850 E1854 S1855 M1856 L1929 | R1814-F1852 HydrophobicContact CG-CD2 4.3Å; V1819-F1852 HydrophobicContact CB-CZ 4.48Å; V1819-F1852 HydrophobicContact CG1-CE1 4.2Å; V1819-F1852 HydrophobicContact CG1-CZ 3.7Å; V1819-F1852 HydrophobicContact CG2-CZ 4.01Å; L1822-F1852 HydrophobicContact CD2-CE2 4.15Å; L1823-F1852 HydrophobicContact CD2-CD1 4.43Å; L1823-F1852 HydrophobicContact CD2-CE1 4.07Å; F1848-F1852 HydrophobicContact CE1-CB 4.44Å; F1848-F1852 WeakPolarHBondContact O-CB 3.5Å; F1848-F1852 PolarHBondContact O-N 3.26Å; L1849-F1852 PolarHBondContact O-N 3.33Å; S1850-F1852 PolarHBondContact O-N 3.11Å; F1852-E1854 PolarHBondContact O-N 2.82Å; F1852-S1855 PolarHBondContact O-N 3.39Å; F1852-S1855 PolarHBondContact O-OG 3.48Å; F1852-M1856 HydrophobicContact CD1-CE 4.35Å; F1852-M1856 HydrophobicContact CD1-SD 4.44Å; F1852-M1856 HydrophobicContact CE1-CE 3.48Å; F1852-M1856 VanDerWaalsContact CE1-CE 3.48Å; F1852-M1856 HydrophobicContact CE1-SD 3.89Å; F1852-M1856 HydrophobicContact CE2-CE 3.71Å; F1852-M1856 HydrophobicContact CZ-CE 3.11Å; F1852-M1856 HydrophobicContact CZ-SD 4.15Å; F1852-M1856 PolarHBondContact O-N 3.32Å; F1852-L1929 HydrophobicContact CD1-CD2 4.4Å |
| 1853 | G | 72 | Confident | 68.8 | Low | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1849 S1850 S1855 M1856 A1857 | L1849-G1853 PolarHBondContact O-N 3.42Å; S1850-G1853 PolarHBondContact O-N 3.11Å; G1853-S1855 VanDerWaalsContact C-N 3.33Å; G1853-S1855 PolarHBondContact O-N 3.19Å; G1853-M1856 CarbonylContact O-C 3.41Å; G1853-M1856 WeakPolarHBondContact O-CA 2.87Å; G1853-M1856 WeakPolarHBondContact O-CB 3.18Å; G1853-M1856 PolarHBondContact O-N 2.86Å; G1853-A1857 WeakPolarHBondContact O-CB 3.44Å; G1853-A1857 PolarHBondContact O-N 3.44Å |
| 1854 | E | 73.4 | Confident | 66.9 | Low | 42 Ų | 42 | 39.6 Ų | 39.6 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -27.1 | 178.5 | -75.8 | -173.8 | 168.8 | 0 | 0 | 114.4 | S1850 F1852 R1924 Y1987 | S1850-E1854 WeakPolarHBondContact O-CB 3.48Å; S1850-E1854 WeakPolarHBondContact O-CG 3.32Å; S1850-E1854 PolarHBondContact O-N 3.17Å; F1852-E1854 PolarHBondContact O-N 2.82Å; E1854-R1924 IonicContact OE1-CZ 3.53Å; E1854-R1924 IonicContact OE1-NE 2.83Å; E1854-R1924 PolarHBondContact OE1-NE 2.98Å; E1854-R1924 IonicContact OE1-NH2 3.73Å; E1854-R1924 PolarHBondContact OE1-NH2 3.16Å; E1854-R1924 IonicContact OE2-CZ 2.64Å; E1854-R1924 IonicContact OE2-NE 3.62Å; E1854-R1924 IonicContact OE2-NH2 3.12Å; E1854-R1924 PolarHBondContact OE2-NH2 3.37Å; E1854-Y1987 HydrophobicContact CG-CE1 4.04Å; E1854-Y1987 PolarHBondContact OE1-OH 2.76Å |
| 1855 | S | 70.9 | Confident | 65.2 | Low | 10 Ų | 10 | 43.8 Ų | 43.8 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.2 | -23.2 | 170.1 | 36.8 | 0 | 0 | 0 | 0 | 113.7 | R1814 D1851 F1852 G1853 | R1814-S1855 PolarHBondContact NH1-OG 3.16Å; D1851-S1855 PolarHBondContact O-N 3.49Å; D1851-S1855 PolarHBondContact O-OG 3.21Å; F1852-S1855 PolarHBondContact O-N 3.39Å; F1852-S1855 PolarHBondContact O-OG 3.48Å; G1853-S1855 VanDerWaalsContact C-N 3.33Å; G1853-S1855 PolarHBondContact O-N 3.19Å |
| 1856 | M | 70.3 | Confident | 63.4 | Low | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -90.5 | -29.2 | 175.9 | -65.5 | -176.5 | 170.3 | 0 | 0 | 112.2 | V1819 F1852 G1853 Q1872 L1873 F1876 | V1819-M1856 HydrophobicContact CG2-CE 4.38Å; F1852-M1856 HydrophobicContact CD1-CE 4.35Å; F1852-M1856 HydrophobicContact CD1-SD 4.44Å; F1852-M1856 HydrophobicContact CE1-CE 3.48Å; F1852-M1856 VanDerWaalsContact CE1-CE 3.48Å; F1852-M1856 HydrophobicContact CE1-SD 3.89Å; F1852-M1856 HydrophobicContact CE2-CE 3.71Å; F1852-M1856 HydrophobicContact CZ-CE 3.11Å; F1852-M1856 HydrophobicContact CZ-SD 4.15Å; F1852-M1856 PolarHBondContact O-N 3.32Å; G1853-M1856 CarbonylContact O-C 3.41Å; G1853-M1856 WeakPolarHBondContact O-CA 2.87Å; G1853-M1856 WeakPolarHBondContact O-CB 3.18Å; G1853-M1856 PolarHBondContact O-N 2.86Å; M1856-Q1872 HydrophobicContact CE-CB 3.79Å; M1856-L1873 HydrophobicContact CB-CD1 4.21Å; M1856-F1876 HydrophobicContact CE-CB 3.71Å; M1856-F1876 HydrophobicContact CE-CD2 4.44Å; M1856-F1876 HydrophobicContact CE-CG 4.2Å; M1856-F1876 HydrophobicContact SD-CB 3.71Å; M1856-F1876 HydrophobicContact SD-CD1 4.07Å; M1856-F1876 HydrophobicContact SD-CD2 4.2Å; M1856-F1876 HydrophobicContact SD-CG 3.74Å |
| 1857 | A | 61.4 | Low | 62 | Low | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -67 | 136.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1853 I1859 | G1853-A1857 WeakPolarHBondContact O-CB 3.44Å; G1853-A1857 PolarHBondContact O-N 3.44Å; A1857-I1859 PolarHBondContact O-N 3.15Å |
| 1858 | P | 58.1 | Low | 60.6 | Low | 49 Ų | 49 | 55.7 Ų | 55.7 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | trans | -65.1 | 129.8 | 171 | 25.9 | -30.5 | 0 | 0 | 0 | 109.6 | I1865 | P1858-I1865 HydrophobicContact CB-CG2 3.45Å; P1858-I1865 VanDerWaalsContact CB-CG2 3.45Å | ||
| 1859 | I | 54 | Low | 59.4 | Low | 79 Ų | 79 | 57.8 Ų | 57.8 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | trans | -112.9 | 121.2 | 170.5 | -58.3 | 172.8 | 0 | 0 | 0 | 106.7 | A1857 E1861 | A1857-I1859 PolarHBondContact O-N 3.15Å; I1859-E1861 HydrophobicContact CG2-CG 4.43Å; I1859-E1861 PolarHBondContact O-N 2.76Å | ||
| 1860 | E | 47.4 | Very low | 58.4 | Low | 118 Ų | 118 | 64.5 Ų | 64.5 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 100.4 | 169.7 | -74.6 | -171.6 | 158.6 | 0 | 0 | 109.5 | I1865 | E1860-I1865 HydrophobicContact CG-CG1 3.87Å |
| 1861 | E | 45.8 | Very low | 57.8 | Low | 139 Ų | 139 | 70.5 Ų | 70.5 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115 | 160.6 | -82.7 | -176.8 | 172.4 | 0 | 0 | 108 | I1859 G1863 V1864 | I1859-E1861 HydrophobicContact CG2-CG 4.43Å; I1859-E1861 PolarHBondContact O-N 2.76Å; E1861-G1863 PolarHBondContact O-N 3.47Å; E1861-V1864 PolarHBondContact O-N 2.99Å |
| 1862 | N | 47.6 | Very low | 57.2 | Low | 168 Ų | 168 | 69.5 Ų | 69.5 | 90% | 0.898 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 37.1 | 174.5 | -55.1 | -29.7 | 0 | 0 | 0 | 115.7 | V1864 | N1862-V1864 VanDerWaalsContact C-N 3.25Å; N1862-V1864 PolarHBondContact O-N 3.23Å |
| 1863 | G | 44.8 | Very low | 56.5 | Low | 69 Ų | 69 | 72 Ų | 72 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 8.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1861 | E1861-G1863 PolarHBondContact O-N 3.47Š|
| 1864 | V | 38.9 | Very low | 56.2 | Low | 102 Ų | 102 | 78.2 Ų | 78.2 | 62% | 0.618 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 112.9 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | E1861 N1862 A1866 | E1861-V1864 PolarHBondContact O-N 2.99Å; N1862-V1864 VanDerWaalsContact C-N 3.25Å; N1862-V1864 PolarHBondContact O-N 3.23Å; V1864-A1866 PolarHBondContact O-N 2.91Å |
| 1865 | I | 40.8 | Very low | 56 | Low | 88 Ų | 88 | 78 Ų | 78 | 45% | 0.451 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 96.5 | 174.5 | -59 | 167.6 | 0 | 0 | 0 | 107.8 | P1858 E1860 | P1858-I1865 HydrophobicContact CB-CG2 3.45Å; P1858-I1865 VanDerWaalsContact CB-CG2 3.45Å; E1860-I1865 HydrophobicContact CG-CG1 3.87Å |
| 1866 | A | 45.2 | Very low | 56.1 | Low | 63 Ų | 63 | 77.7 Ų | 77.7 | 52% | 0.521 | 43% | 0.426 | S | S | . | . | trans | -100 | 98.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1864 K1868 | V1864-A1866 PolarHBondContact O-N 2.91Å; A1866-K1868 PolarHBondContact O-N 3.32Å | ||
| 1867 | S | 50.9 | Low | 55.9 | Low | 40 Ų | 40 | 79 Ų | 79 | 28% | 0.28 | 44% | 0.437 | S | S | . | . | trans | -71 | 118.3 | 170.1 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | D1869 | S1867-D1869 VanDerWaalsContact C-N 3.31Å; S1867-D1869 PolarHBondContact O-N 3.28Å | ||
| 1868 | K | 53.4 | Low | 56.4 | Low | 159 Ų | 159 | 82.6 Ų | 82.6 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -67.3 | -23.8 | -172.9 | -82.4 | 176.9 | 176.3 | 162.7 | 0 | 114.7 | A1866 | A1866-K1868 PolarHBondContact O-N 3.32Š|
| 1869 | D | 58.1 | Low | 57.1 | Low | 46 Ų | 46 | 80.7 Ų | 80.7 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | trans | -143.4 | 75.9 | -176.7 | -89.4 | -36.7 | 0 | 0 | 0 | 112.4 | S1867 N1871 Q1872 L1873 | S1867-D1869 VanDerWaalsContact C-N 3.31Å; S1867-D1869 PolarHBondContact O-N 3.28Å; D1869-N1871 PolarHBondContact O-N 3.01Å; D1869-Q1872 HydrophobicContact CB-CB 4.05Å; D1869-Q1872 HydrophobicContact CB-CG 4.13Å; D1869-Q1872 PolarHBondContact O-N 2.85Å; D1869-Q1872 VanDerWaalsContact O-N 3.11Å; D1869-Q1872 PolarHBondContact OD2-NE2 2.94Å; D1869-Q1872 VanDerWaalsContact OD2-NE2 3.17Å; D1869-L1873 PolarHBondContact O-N 2.96Å; D1869-L1873 VanDerWaalsContact O-N 3.11Å | ||
| 1870 | E | 59.9 | Low | 57.7 | Low | 141 Ų | 141 | 77.8 Ų | 77.8 | 66% | 0.659 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -52.5 | -39.9 | 177.8 | -73.6 | -174.3 | 165.3 | 0 | 0 | 113.1 | Q1872 L1873 Q1874 | E1870-Q1872 PolarHBondContact O-N 2.86Å; E1870-L1873 PolarHBondContact O-N 2.95Å; E1870-Q1874 WeakPolarHBondContact O-CB 3.39Å; E1870-Q1874 PolarHBondContact O-N 3.46Å |
| 1871 | N | 64.4 | Low | 58.6 | Low | 128 Ų | 128 | 76.3 Ų | 76.3 | 68% | 0.684 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.7 | -39 | -179.7 | -68.9 | -25.8 | 0 | 0 | 0 | 112.7 | D1869 S1875 | D1869-N1871 PolarHBondContact O-N 3.01Å; N1871-S1875 WeakPolarHBondContact O-CB 3.44Å; N1871-S1875 PolarHBondContact O-N 2.79Å |
| 1872 | Q | 65.1 | Low | 59.8 | Low | 12 Ų | 12 | 74 Ų | 74 | 6% | 0.056 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -73.3 | -40.9 | 178.6 | -68.3 | -175.2 | 25.6 | 0 | 0 | 110.3 | H1815 M1856 D1869 E1870 Q1874 S1875 F1876 | H1815-Q1872 PolarHBondContact NE2-NE2 3.13Å; M1856-Q1872 HydrophobicContact CE-CB 3.79Å; D1869-Q1872 HydrophobicContact CB-CB 4.05Å; D1869-Q1872 HydrophobicContact CB-CG 4.13Å; D1869-Q1872 PolarHBondContact O-N 2.85Å; D1869-Q1872 VanDerWaalsContact O-N 3.11Å; D1869-Q1872 PolarHBondContact OD2-NE2 2.94Å; D1869-Q1872 VanDerWaalsContact OD2-NE2 3.17Å; E1870-Q1872 PolarHBondContact O-N 2.86Å; Q1872-Q1874 VanDerWaalsContact C-N 3.31Å; Q1872-Q1874 PolarHBondContact O-N 3.17Å; Q1872-S1875 WeakPolarHBondContact CA-OG 3.21Å; Q1872-S1875 PolarHBondContact O-N 3.39Å; Q1872-S1875 PolarHBondContact O-OG 3.23Å; Q1872-F1876 WeakPolarHBondContact O-CB 3.31Å; Q1872-F1876 PolarHBondContact O-N 2.8Å |
| 1873 | L | 64.2 | Low | 60.9 | Low | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 174.2 | -172.7 | 69.6 | 0 | 0 | 0 | 111 | M1856 D1869 E1870 S1875 F1876 A1877 | M1856-L1873 HydrophobicContact CB-CD1 4.21Å; D1869-L1873 PolarHBondContact O-N 2.96Å; D1869-L1873 VanDerWaalsContact O-N 3.11Å; E1870-L1873 PolarHBondContact O-N 2.95Å; L1873-S1875 PolarHBondContact O-N 2.89Å; L1873-F1876 PolarHBondContact O-N 3.36Å; L1873-A1877 VanDerWaalsContact O-CB 3.31Å; L1873-A1877 WeakPolarHBondContact O-CB 3.41Å; L1873-A1877 PolarHBondContact O-N 2.99Å |
| 1874 | Q | 66.1 | Low | 62.1 | Low | 130 Ų | 130 | 71.1 Ų | 71.1 | 61% | 0.607 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -37.5 | 176.8 | -161.4 | 169.6 | 10.8 | 0 | 0 | 112.1 | E1870 Q1872 T1878 | E1870-Q1874 WeakPolarHBondContact O-CB 3.39Å; E1870-Q1874 PolarHBondContact O-N 3.46Å; Q1872-Q1874 VanDerWaalsContact C-N 3.31Å; Q1872-Q1874 PolarHBondContact O-N 3.17Å; Q1874-T1878 WeakPolarHBondContact O-CB 3.47Å; Q1874-T1878 VanDerWaalsContact O-CG2 3.27Å; Q1874-T1878 WeakPolarHBondContact O-CG2 3.45Å; Q1874-T1878 PolarHBondContact O-N 3.33Å; Q1874-T1878 PolarHBondContact O-OG1 3.25Å |
| 1875 | S | 69.1 | Low | 63.8 | Low | 38 Ų | 38 | 70.6 Ų | 70.6 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 174.3 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | V1819 N1871 Q1872 L1873 T1878 M1879 | V1819-S1875 WeakPolarHBondContact CG2-OG 3.44Å; N1871-S1875 WeakPolarHBondContact O-CB 3.44Å; N1871-S1875 PolarHBondContact O-N 2.79Å; Q1872-S1875 WeakPolarHBondContact CA-OG 3.21Å; Q1872-S1875 PolarHBondContact O-N 3.39Å; Q1872-S1875 PolarHBondContact O-OG 3.23Å; L1873-S1875 PolarHBondContact O-N 2.89Å; S1875-T1878 VanDerWaalsContact CA-OG1 3.26Å; S1875-T1878 WeakPolarHBondContact CA-OG1 3.33Å; S1875-T1878 PolarHBondContact O-OG1 2.94Å; S1875-M1879 VanDerWaalsContact O-CB 3.26Å; S1875-M1879 WeakPolarHBondContact O-CB 3.23Å; S1875-M1879 PolarHBondContact O-N 2.87Å |
| 1876 | F | 71.7 | Confident | 65.4 | Low | 3 Ų | 3 | 68 Ų | 68 | 1% | 0.013 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.6 | -41 | 175.7 | -174.9 | -108.7 | 0 | 0 | 0 | 110.9 | V1819 L1823 M1856 Q1872 L1873 M1879 H1880 T1887 L1929 L1933 | V1819-F1876 HydrophobicContact CG1-CB 4.48Å; V1819-F1876 HydrophobicContact CG1-CD2 3.89Å; L1823-F1876 HydrophobicContact CD1-CD2 4.11Å; L1823-F1876 HydrophobicContact CD1-CE2 3.82Å; M1856-F1876 HydrophobicContact CE-CB 3.71Å; M1856-F1876 HydrophobicContact CE-CD2 4.44Å; M1856-F1876 HydrophobicContact CE-CG 4.2Å; M1856-F1876 HydrophobicContact SD-CB 3.71Å; M1856-F1876 HydrophobicContact SD-CD1 4.07Å; M1856-F1876 HydrophobicContact SD-CD2 4.2Å; M1856-F1876 HydrophobicContact SD-CG 3.74Å; Q1872-F1876 WeakPolarHBondContact O-CB 3.31Å; Q1872-F1876 PolarHBondContact O-N 2.8Å; L1873-F1876 PolarHBondContact O-N 3.36Å; F1876-M1879 HydrophobicContact CD2-CE 3.41Å; F1876-M1879 VanDerWaalsContact CD2-CE 3.41Å; F1876-M1879 HydrophobicContact CE2-CE 3.4Å; F1876-M1879 VanDerWaalsContact CE2-CE 3.4Å; F1876-M1879 HydrophobicContact CG-CE 4.35Å; F1876-M1879 HydrophobicContact CZ-CE 4.34Å; F1876-M1879 PolarHBondContact O-N 3.41Å; F1876-H1880 WeakPolarHBondContact O-CB 3.43Å; F1876-H1880 PolarHBondContact O-N 2.94Å; F1876-T1887 HydrophobicContact CE2-CG2 4Å; F1876-T1887 HydrophobicContact CZ-CG2 3.81Å; F1876-L1929 HydrophobicContact CZ-CD2 4.32Å; F1876-L1933 HydrophobicContact CE1-CD2 3.96Å; F1876-L1933 HydrophobicContact CE1-CG 4.43Å; F1876-L1933 HydrophobicContact CZ-CD2 4.49Å |
| 1877 | A | 67.8 | Low | 66.9 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1873 H1880 A1881 P1934 | L1873-A1877 VanDerWaalsContact O-CB 3.31Å; L1873-A1877 WeakPolarHBondContact O-CB 3.41Å; L1873-A1877 PolarHBondContact O-N 2.99Å; A1877-H1880 PolarHBondContact O-N 3.46Å; A1877-A1881 WeakPolarHBondContact O-CB 3.46Å; A1877-A1881 PolarHBondContact O-N 2.96Å; A1877-P1934 HydrophobicContact CB-CG 4.01Å |
| 1878 | T | 71.6 | Confident | 68.3 | Low | 80 Ų | 80 | 65.6 Ų | 65.6 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 175.3 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | Q1874 S1875 A1881 T1882 | Q1874-T1878 WeakPolarHBondContact O-CB 3.47Å; Q1874-T1878 VanDerWaalsContact O-CG2 3.27Å; Q1874-T1878 WeakPolarHBondContact O-CG2 3.45Å; Q1874-T1878 PolarHBondContact O-N 3.33Å; Q1874-T1878 PolarHBondContact O-OG1 3.25Å; S1875-T1878 VanDerWaalsContact CA-OG1 3.26Å; S1875-T1878 WeakPolarHBondContact CA-OG1 3.33Å; S1875-T1878 PolarHBondContact O-OG1 2.94Å; T1878-A1881 PolarHBondContact O-N 3.48Å; T1878-T1882 WeakPolarHBondContact O-CG2 3.16Å; T1878-T1882 PolarHBondContact O-N 2.88Å; T1878-T1882 PolarHBondContact O-OG1 3.43Å |
| 1879 | M | 72.9 | Confident | 69.6 | Low | 9 Ų | 9 | 64 Ų | 64 | 4% | 0.044 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 172.3 | -177.1 | -81.8 | -56.6 | 0 | 0 | 111.6 | L1823 S1875 F1876 T1882 H1883 L1886 T1887 | L1823-M1879 HydrophobicContact CD1-CE 3.56Å; S1875-M1879 VanDerWaalsContact O-CB 3.26Å; S1875-M1879 WeakPolarHBondContact O-CB 3.23Å; S1875-M1879 PolarHBondContact O-N 2.87Å; F1876-M1879 HydrophobicContact CD2-CE 3.41Å; F1876-M1879 VanDerWaalsContact CD2-CE 3.41Å; F1876-M1879 HydrophobicContact CE2-CE 3.4Å; F1876-M1879 VanDerWaalsContact CE2-CE 3.4Å; F1876-M1879 HydrophobicContact CG-CE 4.35Å; F1876-M1879 HydrophobicContact CZ-CE 4.34Å; F1876-M1879 PolarHBondContact O-N 3.41Å; M1879-T1882 WeakPolarHBondContact CA-OG1 3.31Å; M1879-T1882 PolarHBondContact O-N 2.98Å; M1879-T1882 PolarHBondContact O-OG1 3.41Å; M1879-H1883 PolarHBondContact O-N 2.9Å; M1879-L1886 HydrophobicContact SD-CB 4.33Å; M1879-L1886 HydrophobicContact SD-CD1 4.32Å; M1879-T1887 HydrophobicContact CE-CG2 3.81Å |
| 1880 | H | 65.9 | Low | 70.7 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 177.2 | -163.6 | 52.9 | 0 | 0 | 0 | 111.8 | F1876 A1877 T1882 H1883 P1884 T1887 | F1876-H1880 WeakPolarHBondContact O-CB 3.43Å; F1876-H1880 PolarHBondContact O-N 2.94Å; A1877-H1880 PolarHBondContact O-N 3.46Å; H1880-T1882 VanDerWaalsContact C-N 3.29Å; H1880-T1882 PolarHBondContact O-N 2.91Å; H1880-H1883 CarbonylContact O-C 3.55Å; H1880-P1884 PolarHBondContact CE1-O 3.09Å; H1880-P1884 WeakPolarHBondContact O-CA 3.43Å; H1880-P1884 WeakPolarHBondContact O-CD 3.42Å; H1880-P1884 VanDerWaalsContact O-N 3.15Å; H1880-T1887 PolarHBondContact CE1-OG1 3.34Å; H1880-T1887 PolarHBondContact ND1-OG1 2.9Å |
| 1881 | A | 66.9 | Low | 71.7 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.7 | -34.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1877 T1878 | A1877-A1881 WeakPolarHBondContact O-CB 3.46Å; A1877-A1881 PolarHBondContact O-N 2.96Å; T1878-A1881 PolarHBondContact O-N 3.48Å |
| 1882 | T | 69.9 | Low | 72.6 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 56% | 0.564 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -83.9 | -35.7 | 179 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | T1878 M1879 H1880 | T1878-T1882 WeakPolarHBondContact O-CG2 3.16Å; T1878-T1882 PolarHBondContact O-N 2.88Å; T1878-T1882 PolarHBondContact O-OG1 3.43Å; M1879-T1882 WeakPolarHBondContact CA-OG1 3.31Å; M1879-T1882 PolarHBondContact O-N 2.98Å; M1879-T1882 PolarHBondContact O-OG1 3.41Å; H1880-T1882 VanDerWaalsContact C-N 3.29Å; H1880-T1882 PolarHBondContact O-N 2.91Å |
| 1883 | H | 71.8 | Confident | 73.4 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | trans | -142.1 | 73.2 | -174.9 | -67.4 | -53.7 | 0 | 0 | 0 | 112.4 | M1879 H1880 D1885 L1886 | M1879-H1883 PolarHBondContact O-N 2.9Å; H1880-H1883 CarbonylContact O-C 3.55Å; H1883-D1885 PolarHBondContact O-N 2.73Å; H1883-D1885 VanDerWaalsContact O-N 3.15Å; H1883-L1886 HydrophobicContact CB-CB 4.4Å; H1883-L1886 HydrophobicContact CB-CD1 3.46Å; H1883-L1886 VanDerWaalsContact CB-CD1 3.46Å; H1883-L1886 HydrophobicContact CB-CG 3.89Å; H1883-L1886 PolarHBondContact O-N 3.43Å; H1883-L1886 VanDerWaalsContact O-N 3.13Å | ||
| 1884 | P | 69.1 | Low | 74.2 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -26.7 | -175.3 | 24 | -34 | 0 | 0 | 0 | 113.4 | H1880 L1886 T1887 | H1880-P1884 PolarHBondContact CE1-O 3.09Å; H1880-P1884 WeakPolarHBondContact O-CA 3.43Å; H1880-P1884 WeakPolarHBondContact O-CD 3.42Å; H1880-P1884 VanDerWaalsContact O-N 3.15Å; P1884-L1886 VanDerWaalsContact C-N 3.3Å; P1884-L1886 PolarHBondContact O-N 3.34Å; P1884-T1887 PolarHBondContact O-OG1 2.99Å |
| 1885 | D | 75 | Confident | 74.9 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.1 | -23.1 | 178.8 | -75.6 | 4.1 | 0 | 0 | 0 | 114 | H1883 R1889 | H1883-D1885 PolarHBondContact O-N 2.73Å; H1883-D1885 VanDerWaalsContact O-N 3.15Å; D1885-R1889 WeakPolarHBondContact O-CB 3.46Å; D1885-R1889 WeakPolarHBondContact O-CG 3.35Å; D1885-R1889 PolarHBondContact O-N 3.01Å; D1885-R1889 IonicContact OD2-CZ 3.18Å; D1885-R1889 IonicContact OD2-NH2 2.9Å; D1885-R1889 PolarHBondContact OD2-NH2 3.26Å |
| 1886 | L | 75.1 | Confident | 75.5 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68 | -42.1 | -173.9 | -80.2 | 173.3 | 0 | 0 | 0 | 111.9 | I1824 M1879 H1883 P1884 R1889 L1890 | I1824-L1886 HydrophobicContact CD1-CD1 4.38Å; I1824-L1886 HydrophobicContact CD1-CD2 4.49Å; I1824-L1886 HydrophobicContact CG1-CD2 4.1Å; M1879-L1886 HydrophobicContact SD-CB 4.33Å; M1879-L1886 HydrophobicContact SD-CD1 4.32Å; H1883-L1886 HydrophobicContact CB-CB 4.4Å; H1883-L1886 HydrophobicContact CB-CD1 3.46Å; H1883-L1886 VanDerWaalsContact CB-CD1 3.46Å; H1883-L1886 HydrophobicContact CB-CG 3.89Å; H1883-L1886 PolarHBondContact O-N 3.43Å; H1883-L1886 VanDerWaalsContact O-N 3.13Å; P1884-L1886 VanDerWaalsContact C-N 3.3Å; P1884-L1886 PolarHBondContact O-N 3.34Å; L1886-R1889 PolarHBondContact O-N 3.46Å; L1886-L1890 WeakPolarHBondContact O-CB 3.22Å; L1886-L1890 PolarHBondContact O-N 3.4Å |
| 1887 | T | 75.3 | Confident | 75.7 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 179 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | F1876 M1879 H1880 P1884 L1890 I1891 | F1876-T1887 HydrophobicContact CE2-CG2 4Å; F1876-T1887 HydrophobicContact CZ-CG2 3.81Å; M1879-T1887 HydrophobicContact CE-CG2 3.81Å; H1880-T1887 PolarHBondContact CE1-OG1 3.34Å; H1880-T1887 PolarHBondContact ND1-OG1 2.9Å; P1884-T1887 PolarHBondContact O-OG1 2.99Å; T1887-L1890 PolarHBondContact O-N 3.29Å; T1887-I1891 WeakPolarHBondContact O-CG1 3.44Å; T1887-I1891 PolarHBondContact O-N 3.34Å |
| 1888 | W | 81.8 | Confident | 76.2 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.4 | 174.9 | -117.3 | 0 | 0 | 0 | 112.1 | L1890 I1891 H1892 I1942 Q1945 L1946 W1949 | W1888-L1890 VanDerWaalsContact C-N 3.34Å; W1888-L1890 PolarHBondContact O-N 3.15Å; W1888-I1891 HydrophobicContact CZ3-CG2 4.49Å; W1888-I1891 PolarHBondContact O-N 3Å; W1888-H1892 HydrophobicContact CZ2-CB 4.34Å; W1888-H1892 WeakPolarHBondContact O-CB 3.28Å; W1888-H1892 PolarHBondContact O-N 2.76Å; W1888-I1942 HydrophobicContact CE3-CG2 4.11Å; W1888-I1942 HydrophobicContact CZ3-CG2 4.33Å; W1888-Q1945 HydrophobicContact CD2-CB 4.17Å; W1888-Q1945 HydrophobicContact CE3-CB 4.03Å; W1888-Q1945 VanDerWaalsContact CG-OE1 3.29Å; W1888-Q1945 VanDerWaalsContact CH2-C 3.48Å; W1888-Q1945 HydrophobicContact CH2-CB 3.61Å; W1888-Q1945 HydrophobicContact CZ2-CB 3.75Å; W1888-Q1945 HydrophobicContact CZ3-CB 3.75Å; W1888-L1946 HydrophobicContact CH2-CD2 4.03Å; W1888-L1946 HydrophobicContact CH2-CG 4.4Å; W1888-L1946 HydrophobicContact CZ3-CD2 3.7Å; W1888-L1946 HydrophobicContact CZ3-CG 3.94Å; W1888-W1949 HydrophobicContact CH2-CB 4.38Å |
| 1889 | R | 80.3 | Confident | 76.3 | Confident | 126 Ų | 126 | 39.7 Ų | 39.7 | 48% | 0.475 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61 | -42.7 | 178 | -75.7 | 173.4 | -163.4 | 168.9 | 10.3 | 111.7 | D1885 L1886 H1892 T1893 | D1885-R1889 WeakPolarHBondContact O-CB 3.46Å; D1885-R1889 WeakPolarHBondContact O-CG 3.35Å; D1885-R1889 PolarHBondContact O-N 3.01Å; D1885-R1889 IonicContact OD2-CZ 3.18Å; D1885-R1889 IonicContact OD2-NH2 2.9Å; D1885-R1889 PolarHBondContact OD2-NH2 3.26Å; L1886-R1889 PolarHBondContact O-N 3.46Å; R1889-H1892 PolarHBondContact O-N 3.4Å; R1889-T1893 WeakPolarHBondContact O-CB 3.32Å; R1889-T1893 WeakPolarHBondContact O-CG2 3.21Å; R1889-T1893 PolarHBondContact O-N 3.19Å; R1889-T1893 PolarHBondContact O-OG1 3.49Å; R1889-T1893 VanDerWaalsContact O-OG1 3.09Å |
| 1890 | L | 81.3 | Confident | 76.2 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -53.1 | 175.8 | -177.9 | 71 | 0 | 0 | 0 | 110.7 | L1823 Q1827 I1830 L1849 L1886 T1887 W1888 H1892 T1893 C1894 L1929 | L1823-L1890 HydrophobicContact CD2-CD2 3.94Å; Q1827-L1890 HydrophobicContact CB-CD1 3.82Å; Q1827-L1890 HydrophobicContact CG-CD1 4.33Å; I1830-L1890 HydrophobicContact CD1-CD1 4.35Å; L1849-L1890 HydrophobicContact CD1-CD1 4.46Å; L1849-L1890 HydrophobicContact CD1-CD2 4.32Å; L1849-L1890 HydrophobicContact CD2-CD2 4.02Å; L1886-L1890 WeakPolarHBondContact O-CB 3.22Å; L1886-L1890 PolarHBondContact O-N 3.4Å; T1887-L1890 PolarHBondContact O-N 3.29Å; W1888-L1890 VanDerWaalsContact C-N 3.34Å; W1888-L1890 PolarHBondContact O-N 3.15Å; L1890-H1892 VanDerWaalsContact C-N 3.33Å; L1890-H1892 PolarHBondContact O-N 3.49Å; L1890-T1893 WeakPolarHBondContact CA-OG1 3.2Å; L1890-T1893 PolarHBondContact O-N 3.31Å; L1890-T1893 VanDerWaalsContact O-N 3.17Å; L1890-T1893 PolarHBondContact O-OG1 2.66Å; L1890-C1894 PolarHBondContact O-N 2.95Å; L1890-C1894 PolarHBondContact O-SG 3.29Å; L1890-L1929 HydrophobicContact CD2-CD1 4.42Å |
| 1891 | I | 81.5 | Confident | 76.4 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 179.1 | -68.2 | 168.1 | 0 | 0 | 0 | 110.7 | T1887 W1888 T1893 C1894 L1895 V1926 I1930 I1942 L1946 | T1887-I1891 WeakPolarHBondContact O-CG1 3.44Å; T1887-I1891 PolarHBondContact O-N 3.34Å; W1888-I1891 HydrophobicContact CZ3-CG2 4.49Å; W1888-I1891 PolarHBondContact O-N 3Å; I1891-T1893 PolarHBondContact O-N 3.37Å; I1891-C1894 WeakPolarHBondContact O-CB 3.32Å; I1891-C1894 PolarHBondContact O-N 3.3Å; I1891-L1895 HydrophobicContact CG2-CD1 3.71Å; I1891-L1895 HydrophobicContact CG2-CG 4.33Å; I1891-L1895 VanDerWaalsContact O-CG 3.31Å; I1891-L1895 WeakPolarHBondContact O-CG 3.36Å; I1891-L1895 PolarHBondContact O-N 2.86Å; I1891-V1926 HydrophobicContact CG2-CG1 3.93Å; I1891-V1926 HydrophobicContact CG2-CG2 4.27Å; I1891-I1930 HydrophobicContact CD1-CG1 4.3Å; I1891-I1942 HydrophobicContact CD1-CG2 4.32Å; I1891-L1946 HydrophobicContact CG2-CD2 4.22Å |
| 1892 | H | 82.6 | Confident | 76.5 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 31% | 0.31 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 177.5 | -179.3 | -93.2 | 0 | 0 | 0 | 112.2 | W1888 R1889 L1890 L1895 C1896 W1949 | W1888-H1892 HydrophobicContact CZ2-CB 4.34Å; W1888-H1892 WeakPolarHBondContact O-CB 3.28Å; W1888-H1892 PolarHBondContact O-N 2.76Å; R1889-H1892 PolarHBondContact O-N 3.4Å; L1890-H1892 VanDerWaalsContact C-N 3.33Å; L1890-H1892 PolarHBondContact O-N 3.49Å; H1892-L1895 PolarHBondContact O-N 2.94Å; H1892-C1896 VanDerWaalsContact CE1-SG 3.5Å; H1892-C1896 WeakPolarHBondContact O-CB 3.48Å; H1892-C1896 PolarHBondContact O-N 3.15Å; H1892-C1896 PolarHBondContact O-SG 3.42Å; H1892-W1949 AromaticContact CD2-CD1 3.64Å; H1892-W1949 AromaticContact NE2-CD1 3.6Å; H1892-W1949 AromaticContact NE2-NE1 3.9Å |
| 1893 | T | 80.9 | Confident | 76.2 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 14% | 0.135 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 174.3 | 52.9 | 0 | 0 | 0 | 0 | 112 | Q1827 R1889 L1890 I1891 T1897 | Q1827-T1893 HydrophobicContact CG-CG2 4.36Å; R1889-T1893 WeakPolarHBondContact O-CB 3.32Å; R1889-T1893 WeakPolarHBondContact O-CG2 3.21Å; R1889-T1893 PolarHBondContact O-N 3.19Å; R1889-T1893 PolarHBondContact O-OG1 3.49Å; R1889-T1893 VanDerWaalsContact O-OG1 3.09Å; L1890-T1893 WeakPolarHBondContact CA-OG1 3.2Å; L1890-T1893 PolarHBondContact O-N 3.31Å; L1890-T1893 VanDerWaalsContact O-N 3.17Å; L1890-T1893 PolarHBondContact O-OG1 2.66Å; I1891-T1893 PolarHBondContact O-N 3.37Å; T1893-T1897 VanDerWaalsContact O-CB 3.32Å; T1893-T1897 WeakPolarHBondContact O-CB 3.49Å; T1893-T1897 WeakPolarHBondContact O-CG2 3.45Å; T1893-T1897 PolarHBondContact O-N 3.26Å; T1893-T1897 PolarHBondContact O-OG1 2.82Å |
| 1894 | C | 81.2 | Confident | 75.8 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 174.5 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | I1830 L1846 L1890 I1891 T1897 V1898 L1922 | I1830-C1894 VanDerWaalsContact CD1-SG 3.52Å; L1846-C1894 HydrophobicContact CD2-CB 4.04Å; L1890-C1894 PolarHBondContact O-N 2.95Å; L1890-C1894 PolarHBondContact O-SG 3.29Å; I1891-C1894 WeakPolarHBondContact O-CB 3.32Å; I1891-C1894 PolarHBondContact O-N 3.3Å; C1894-T1897 PolarHBondContact O-OG1 3.02Å; C1894-V1898 WeakPolarHBondContact O-CG2 3.31Å; C1894-V1898 PolarHBondContact O-N 3.41Å; C1894-V1898 VanDerWaalsContact O-N 3.09Å; C1894-L1922 HydrophobicContact CB-CD1 3.83Å |
| 1895 | L | 81.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.4 | -52.3 | -179.4 | -71 | 168 | 0 | 0 | 0 | 112 | I1891 H1892 T1897 V1898 V1899 L1922 L1946 W1949 V1976 I1980 | I1891-L1895 HydrophobicContact CG2-CD1 3.71Å; I1891-L1895 HydrophobicContact CG2-CG 4.33Å; I1891-L1895 VanDerWaalsContact O-CG 3.31Å; I1891-L1895 WeakPolarHBondContact O-CG 3.36Å; I1891-L1895 PolarHBondContact O-N 2.86Å; H1892-L1895 PolarHBondContact O-N 2.94Å; L1895-T1897 VanDerWaalsContact C-N 3.29Å; L1895-T1897 PolarHBondContact O-N 3.45Å; L1895-V1898 PolarHBondContact O-N 3.38Å; L1895-V1899 VanDerWaalsContact O-CB 3.31Å; L1895-V1899 WeakPolarHBondContact O-CB 3.49Å; L1895-V1899 WeakPolarHBondContact O-CG2 3.48Å; L1895-V1899 PolarHBondContact O-N 3.25Å; L1895-L1922 HydrophobicContact CD2-CD1 4.45Å; L1895-L1922 HydrophobicContact CD2-CD2 4.17Å; L1895-L1946 HydrophobicContact CD1-CD2 3.22Å; L1895-W1949 HydrophobicContact CB-CH2 4.32Å; L1895-W1949 HydrophobicContact CB-CZ2 4.17Å; L1895-V1976 HydrophobicContact CD2-CG1 3.92Å; L1895-I1980 HydrophobicContact CD2-CD1 3.79Å |
| 1896 | C | 80.7 | Confident | 74.3 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 180 | -74.6 | 0 | 0 | 0 | 0 | 112 | H1892 N1900 W1949 | H1892-C1896 VanDerWaalsContact CE1-SG 3.5Å; H1892-C1896 WeakPolarHBondContact O-CB 3.48Å; H1892-C1896 PolarHBondContact O-N 3.15Å; H1892-C1896 PolarHBondContact O-SG 3.42Å; C1896-N1900 WeakPolarHBondContact O-CB 3.33Å; C1896-N1900 PolarHBondContact O-N 3.44Å; C1896-N1900 PolarHBondContact O-ND2 3.2Å; C1896-N1900 PolarHBondContact O-OD1 3.47Å; C1896-W1949 PolarHBondContact SG-NE1 3.38Å; C1896-W1949 VanDerWaalsContact SG-NE1 3.41Å |
| 1897 | T | 77.9 | Confident | 73.2 | Confident | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.3 | -39.8 | 179.9 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | I1830 T1893 C1894 L1895 R1901 | I1830-T1897 HydrophobicContact CG2-CG2 4.32Å; T1893-T1897 VanDerWaalsContact O-CB 3.32Å; T1893-T1897 WeakPolarHBondContact O-CB 3.49Å; T1893-T1897 WeakPolarHBondContact O-CG2 3.45Å; T1893-T1897 PolarHBondContact O-N 3.26Å; T1893-T1897 PolarHBondContact O-OG1 2.82Å; C1894-T1897 PolarHBondContact O-OG1 3.02Å; L1895-T1897 VanDerWaalsContact C-N 3.29Å; L1895-T1897 PolarHBondContact O-N 3.45Å; T1897-R1901 WeakPolarHBondContact O-CG 3.37Å; T1897-R1901 PolarHBondContact O-N 3.47Å |
| 1898 | V | 77.3 | Confident | 72 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.8 | -40.8 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | L1842 L1846 C1894 L1895 R1901 L1902 M1918 L1919 L1922 | L1842-V1898 HydrophobicContact CD2-CG2 3.79Å; L1846-V1898 HydrophobicContact CD1-CG2 3.98Å; C1894-V1898 WeakPolarHBondContact O-CG2 3.31Å; C1894-V1898 PolarHBondContact O-N 3.41Å; C1894-V1898 VanDerWaalsContact O-N 3.09Å; L1895-V1898 PolarHBondContact O-N 3.38Å; V1898-R1901 VanDerWaalsContact O-CB 3.31Å; V1898-R1901 WeakPolarHBondContact O-CB 3.31Å; V1898-R1901 PolarHBondContact O-N 2.97Å; V1898-R1901 VanDerWaalsContact O-N 3.15Å; V1898-L1902 PolarHBondContact O-N 3.38Å; V1898-M1918 HydrophobicContact CB-SD 4.48Å; V1898-M1918 HydrophobicContact CG1-SD 3.94Å; V1898-M1918 HydrophobicContact CG2-SD 3.98Å; V1898-L1919 HydrophobicContact CG1-CD2 3.89Å; V1898-L1922 HydrophobicContact CB-CD2 3.83Å; V1898-L1922 HydrophobicContact CG1-CD2 3.8Å; V1898-L1922 HydrophobicContact CG2-CD1 4.13Å; V1898-L1922 HydrophobicContact CG2-CD2 4.07Å |
| 1899 | V | 72.9 | Confident | 70.8 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | -179.5 | 173 | 0 | 0 | 0 | 0 | 111.6 | L1895 R1901 L1902 N1903 W1949 R1973 | L1895-V1899 VanDerWaalsContact O-CB 3.31Å; L1895-V1899 WeakPolarHBondContact O-CB 3.49Å; L1895-V1899 WeakPolarHBondContact O-CG2 3.48Å; L1895-V1899 PolarHBondContact O-N 3.25Å; V1899-R1901 PolarHBondContact O-N 3.11Å; V1899-L1902 PolarHBondContact O-N 3.3Å; V1899-L1902 VanDerWaalsContact O-N 3.12Å; V1899-N1903 PolarHBondContact O-N 2.99Å; V1899-N1903 VanDerWaalsContact O-N 3.08Å; V1899-W1949 HydrophobicContact CB-CH2 4.37Å; V1899-W1949 HydrophobicContact CB-CZ2 4.39Å; V1899-W1949 HydrophobicContact CG1-CH2 4.47Å; V1899-W1949 HydrophobicContact CG2-CH2 3.61Å; V1899-W1949 HydrophobicContact CG2-CZ2 4.05Å; V1899-R1973 HydrophobicContact CG1-CG 4.18Å |
| 1900 | N | 71.7 | Confident | 69.4 | Low | 86 Ų | 86 | 52.9 Ų | 52.9 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -31.4 | 173.3 | -70.6 | -10.5 | 0 | 0 | 0 | 111.9 | C1896 | C1896-N1900 WeakPolarHBondContact O-CB 3.33Å; C1896-N1900 PolarHBondContact O-N 3.44Å; C1896-N1900 PolarHBondContact O-ND2 3.2Å; C1896-N1900 PolarHBondContact O-OD1 3.47Å |
| 1901 | R | 71.1 | Confident | 68 | Low | 31 Ų | 31 | 56.4 Ų | 56.4 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 172.9 | -72.7 | -81.3 | 177.8 | -122.1 | -12.2 | 112.6 | S1834 N1837 T1897 V1898 V1899 N1903 E1904 V1905 | S1834-R1901 PolarHBondContact O-NH2 3.44Å; N1837-R1901 VanDerWaalsContact CA-NH2 3.32Å; N1837-R1901 VanDerWaalsContact CG-NH2 3.25Å; N1837-R1901 PolarHBondContact ND2-NH1 3.36Å; N1837-R1901 VanDerWaalsContact ND2-NH1 3.12Å; N1837-R1901 PolarHBondContact OD1-NH1 3.1Å; N1837-R1901 PolarHBondContact OD1-NH2 2.83Å; T1897-R1901 WeakPolarHBondContact O-CG 3.37Å; T1897-R1901 PolarHBondContact O-N 3.47Å; V1898-R1901 VanDerWaalsContact O-CB 3.31Å; V1898-R1901 WeakPolarHBondContact O-CB 3.31Å; V1898-R1901 PolarHBondContact O-N 2.97Å; V1898-R1901 VanDerWaalsContact O-N 3.15Å; V1899-R1901 PolarHBondContact O-N 3.11Å; R1901-N1903 VanDerWaalsContact C-N 3.28Å; R1901-N1903 PolarHBondContact O-N 2.99Å; R1901-E1904 IonicContact CZ-OE2 3.21Å; R1901-E1904 IonicContact NH1-OE1 3.62Å; R1901-E1904 IonicContact NH1-OE2 2.82Å; R1901-E1904 PolarHBondContact NH1-OE2 3.07Å; R1901-E1904 WeakPolarHBondContact O-CB 3.42Å; R1901-E1904 PolarHBondContact O-N 3.5Å; R1901-E1904 VanDerWaalsContact O-N 3.14Å; R1901-V1905 PolarHBondContact O-N 3.12Å |
| 1902 | L | 67 | Low | 66.9 | Low | 20 Ų | 20 | 61.3 Ų | 61.3 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 176.6 | -70.1 | 178.3 | 0 | 0 | 0 | 112.2 | V1898 V1899 E1904 V1905 L1913 L1919 L1972 | V1898-L1902 PolarHBondContact O-N 3.38Å; V1899-L1902 PolarHBondContact O-N 3.3Å; V1899-L1902 VanDerWaalsContact O-N 3.12Å; L1902-E1904 PolarHBondContact O-N 3.43Å; L1902-V1905 PolarHBondContact O-N 3.3Å; L1902-V1905 VanDerWaalsContact O-N 3.16Å; L1902-L1913 HydrophobicContact CD1-CD1 4.4Å; L1902-L1913 HydrophobicContact CD2-CD1 3.59Å; L1902-L1919 HydrophobicContact CD1-CD1 4.16Å; L1902-L1919 HydrophobicContact CD1-CD2 3.79Å; L1902-L1919 HydrophobicContact CD1-CG 4.43Å; L1902-L1919 HydrophobicContact CD2-CD1 3.87Å; L1902-L1919 HydrophobicContact CD2-CG 4.43Å; L1902-L1972 HydrophobicContact CB-CD2 4.27Å |
| 1903 | N | 64.1 | Low | 65.6 | Low | 83 Ų | 83 | 60.1 Ų | 60.1 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.3 | 174.6 | -76.6 | 7.4 | 0 | 0 | 0 | 113.3 | V1899 R1901 Q1969 | V1899-N1903 PolarHBondContact O-N 2.99Å; V1899-N1903 VanDerWaalsContact O-N 3.08Å; R1901-N1903 VanDerWaalsContact C-N 3.28Å; R1901-N1903 PolarHBondContact O-N 2.99Å; N1903-Q1969 PolarHBondContact ND2-NE2 3.4Å |
| 1904 | E | 64.7 | Low | 64.3 | Low | 129 Ų | 129 | 65.8 Ų | 65.8 | 60% | 0.603 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -19.9 | 174.2 | -69.6 | 178.8 | 159.8 | 0 | 0 | 112.8 | R1901 L1902 | R1901-E1904 IonicContact CZ-OE2 3.21Å; R1901-E1904 IonicContact NH1-OE1 3.62Å; R1901-E1904 IonicContact NH1-OE2 2.82Å; R1901-E1904 PolarHBondContact NH1-OE2 3.07Å; R1901-E1904 WeakPolarHBondContact O-CB 3.42Å; R1901-E1904 PolarHBondContact O-N 3.5Å; R1901-E1904 VanDerWaalsContact O-N 3.14Å; L1902-E1904 PolarHBondContact O-N 3.43Å |
| 1905 | V | 59.5 | Low | 63.3 | Low | 81 Ų | 81 | 71.9 Ų | 71.9 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -89.2 | 114.8 | -178.4 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | R1901 L1902 S1907 | R1901-V1905 PolarHBondContact O-N 3.12Å; L1902-V1905 PolarHBondContact O-N 3.3Å; L1902-V1905 VanDerWaalsContact O-N 3.16Å; V1905-S1907 PolarHBondContact O-N 3.21Å |
| 1906 | D | 53.1 | Low | 62.7 | Low | 122 Ų | 122 | 74.6 Ų | 74.6 | 65% | 0.652 | 39% | 0.389 | S | S | * | . | trans | -44.9 | 125.4 | 178.1 | -83.4 | -28.6 | 0 | 0 | 0 | 111 | R1908 | D1906-R1908 PolarHBondContact O-N 2.71Š| ||
| 1907 | S | 50.2 | Low | 62.2 | Low | 84 Ų | 84 | 77 Ų | 77 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 8.1 | -177.1 | 54.1 | 0 | 0 | 0 | 0 | 115.5 | V1905 | V1905-S1907 PolarHBondContact O-N 3.21Š|
| 1908 | R | 51.8 | Low | 62.2 | Low | 199 Ų | 199 | 77.3 Ų | 77.3 | 75% | 0.751 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.4 | -177.7 | -63.7 | -178.9 | -177.5 | 175.9 | 2.5 | 113.8 | D1906 | D1906-R1908 PolarHBondContact O-N 2.71Š|
| 1909 | N | 56 | Low | 62 | Low | 87 Ų | 87 | 77.4 Ų | 77.4 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | trans | -114.5 | 62.1 | -170 | -69.7 | -4.8 | 0 | 0 | 0 | 114.6 | A1911 E1912 L1913 | N1909-A1911 PolarHBondContact O-N 2.88Å; N1909-E1912 HydrophobicContact CB-CB 4.17Å; N1909-E1912 HydrophobicContact CB-CG 4.06Å; N1909-E1912 VanDerWaalsContact CB-OE2 3.28Å; N1909-E1912 WeakPolarHBondContact CB-OE2 3.42Å; N1909-E1912 PolarHBondContact ND2-OE2 2.9Å; N1909-E1912 WeakPolarHBondContact O-CB 3.4Å; N1909-E1912 PolarHBondContact O-N 3.35Å; N1909-L1913 PolarHBondContact O-N 3.47Å | ||
| 1910 | I | 50.1 | Low | 62.3 | Low | 40 Ų | 40 | 82.7 Ų | 82.7 | 21% | 0.205 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.9 | -29.9 | 179.4 | -66.1 | 173.4 | 0 | 0 | 0 | 113 | E1912 L1913 K1914 I2047 V2099 | I1910-E1912 VanDerWaalsContact C-N 3.27Å; I1910-E1912 PolarHBondContact O-N 2.88Å; I1910-L1913 WeakPolarHBondContact O-CB 3.36Å; I1910-L1913 PolarHBondContact O-N 2.83Å; I1910-K1914 PolarHBondContact O-N 3.41Å; I1910-I2047 HydrophobicContact CD1-CD1 4.08Å; I1910-I2047 HydrophobicContact CD1-CG1 3.91Å; I1910-I2047 HydrophobicContact CG1-CD1 3.99Å; I1910-I2047 HydrophobicContact CG1-CG1 4.15Å; I1910-V2099 HydrophobicContact CD1-CB 3.87Å; I1910-V2099 HydrophobicContact CD1-CG1 3.47Å; I1910-V2099 VanDerWaalsContact CD1-CG1 3.47Å; I1910-V2099 HydrophobicContact CD1-CG2 3.25Å |
| 1911 | A | 53.1 | Low | 62.6 | Low | 79 Ų | 79 | 79.5 Ų | 79.5 | 65% | 0.653 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.7 | -33.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1909 L1913 | N1909-A1911 PolarHBondContact O-N 2.88Å; A1911-L1913 VanDerWaalsContact C-N 3.33Å |
| 1912 | E | 57 | Low | 63.2 | Low | 108 Ų | 108 | 78 Ų | 78 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.4 | -30.8 | 173.6 | -69.8 | -176.9 | 148.2 | 0 | 0 | 111.3 | N1909 I1910 N1915 N1916 | N1909-E1912 HydrophobicContact CB-CB 4.17Å; N1909-E1912 HydrophobicContact CB-CG 4.06Å; N1909-E1912 VanDerWaalsContact CB-OE2 3.28Å; N1909-E1912 WeakPolarHBondContact CB-OE2 3.42Å; N1909-E1912 PolarHBondContact ND2-OE2 2.9Å; N1909-E1912 WeakPolarHBondContact O-CB 3.4Å; N1909-E1912 PolarHBondContact O-N 3.35Å; I1910-E1912 VanDerWaalsContact C-N 3.27Å; I1910-E1912 PolarHBondContact O-N 2.88Å; E1912-N1915 CarbonylContact O-C 3.6Å; E1912-N1915 PolarHBondContact O-N 3.11Å; E1912-N1916 WeakPolarHBondContact O-CA 3.27Å; E1912-N1916 VanDerWaalsContact O-CB 3.3Å; E1912-N1916 WeakPolarHBondContact O-CB 3.4Å; E1912-N1916 PolarHBondContact O-N 2.93Å |
| 1913 | L | 56.2 | Low | 64 | Low | 42 Ų | 42 | 78.4 Ų | 78.4 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | -179.9 | -156.7 | 78 | 0 | 0 | 0 | 112.7 | L1902 N1909 I1910 A1911 N1915 L1919 I2047 | L1902-L1913 HydrophobicContact CD1-CD1 4.4Å; L1902-L1913 HydrophobicContact CD2-CD1 3.59Å; N1909-L1913 PolarHBondContact O-N 3.47Å; I1910-L1913 WeakPolarHBondContact O-CB 3.36Å; I1910-L1913 PolarHBondContact O-N 2.83Å; A1911-L1913 VanDerWaalsContact C-N 3.33Å; L1913-N1915 VanDerWaalsContact C-N 3.3Å; L1913-L1919 HydrophobicContact CD1-CD1 3.43Å; L1913-L1919 VanDerWaalsContact CD1-CD1 3.43Å; L1913-L1919 HydrophobicContact CG-CD1 3.79Å; L1913-I2047 HydrophobicContact CD2-CD1 4.34Å; L1913-I2047 HydrophobicContact CD2-CG2 3.83Å |
| 1914 | K | 53.5 | Low | 64.9 | Low | 141 Ų | 141 | 79 Ų | 79 | 61% | 0.613 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.1 | -32.9 | 173.7 | -82.3 | -172.2 | 177.4 | -179.6 | 0 | 112.2 | I1910 | I1910-K1914 PolarHBondContact O-N 3.41Å |
| 1915 | N | 59.3 | Low | 65.8 | Low | 133 Ų | 133 | 72.9 Ų | 72.9 | 71% | 0.711 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 7.4 | -176.6 | -70.2 | -12 | 0 | 0 | 0 | 113.7 | E1912 L1913 D1917 | E1912-N1915 CarbonylContact O-C 3.6Å; E1912-N1915 PolarHBondContact O-N 3.11Å; L1913-N1915 VanDerWaalsContact C-N 3.3Å; N1915-D1917 PolarHBondContact O-N 3.28Å |
| 1916 | N | 68.8 | Low | 66.9 | Low | 56 Ų | 56 | 69.1 Ų | 69.1 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | trans | -77.1 | 98.8 | -177.3 | -152.2 | -28.3 | 0 | 0 | 0 | 109.3 | E1912 M1918 L1919 L1920 | E1912-N1916 WeakPolarHBondContact O-CA 3.27Å; E1912-N1916 VanDerWaalsContact O-CB 3.3Å; E1912-N1916 WeakPolarHBondContact O-CB 3.4Å; E1912-N1916 PolarHBondContact O-N 2.93Å; N1916-M1918 PolarHBondContact O-N 2.85Å; N1916-L1919 HydrophobicContact CB-CB 4.31Å; N1916-L1919 HydrophobicContact CB-CD1 4.03Å; N1916-L1919 HydrophobicContact CB-CG 4.41Å; N1916-L1919 PolarHBondContact O-N 2.76Å; N1916-L1920 PolarHBondContact O-N 3.18Å | ||
| 1917 | D | 71.6 | Confident | 68.2 | Low | 83 Ų | 83 | 63.3 Ų | 63.3 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -46.6 | -35.4 | 178.5 | -69.5 | -20.1 | 0 | 0 | 0 | 112.8 | K1781 N1915 L1920 C1921 | K1781-D1917 IonicContact NZ-OD2 3.27Å; K1781-D1917 PolarHBondContact NZ-OD2 3.37Å; N1915-D1917 PolarHBondContact O-N 3.28Å; D1917-L1920 PolarHBondContact O-N 2.72Å; D1917-C1921 WeakPolarHBondContact O-CB 3.45Å; D1917-C1921 PolarHBondContact O-N 3.47Å; D1917-C1921 PolarHBondContact O-SG 2.96Å |
| 1918 | M | 76.7 | Confident | 69.8 | Low | 19 Ų | 19 | 59.3 Ų | 59.3 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 179.1 | -170.6 | -154.2 | -65.9 | 0 | 0 | 111.9 | N1839 L1842 L1846 V1898 N1916 C1921 L1922 | N1839-M1918 HydrophobicContact CB-CE 4.3Å; L1842-M1918 HydrophobicContact CD2-CE 4.07Å; L1842-M1918 HydrophobicContact CD2-CG 3.72Å; L1842-M1918 HydrophobicContact CD2-SD 3.44Å; L1842-M1918 WeakPolarHBondContact CD2-SD 3.16Å; L1846-M1918 HydrophobicContact CD1-CG 4.08Å; V1898-M1918 HydrophobicContact CB-SD 4.48Å; V1898-M1918 HydrophobicContact CG1-SD 3.94Å; V1898-M1918 HydrophobicContact CG2-SD 3.98Å; N1916-M1918 PolarHBondContact O-N 2.85Å; M1918-C1921 PolarHBondContact O-N 2.86Å; M1918-L1922 WeakPolarHBondContact O-CB 3.47Å; M1918-L1922 PolarHBondContact O-N 2.76Å |
| 1919 | L | 73.6 | Confident | 71.1 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 177.7 | -82.9 | 166.8 | 0 | 0 | 0 | 110.9 | V1898 L1902 L1913 N1916 C1921 L1922 Y1923 | V1898-L1919 HydrophobicContact CG1-CD2 3.89Å; L1902-L1919 HydrophobicContact CD1-CD1 4.16Å; L1902-L1919 HydrophobicContact CD1-CD2 3.79Å; L1902-L1919 HydrophobicContact CD1-CG 4.43Å; L1902-L1919 HydrophobicContact CD2-CD1 3.87Å; L1902-L1919 HydrophobicContact CD2-CG 4.43Å; L1913-L1919 HydrophobicContact CD1-CD1 3.43Å; L1913-L1919 VanDerWaalsContact CD1-CD1 3.43Å; L1913-L1919 HydrophobicContact CG-CD1 3.79Å; N1916-L1919 HydrophobicContact CB-CB 4.31Å; N1916-L1919 HydrophobicContact CB-CD1 4.03Å; N1916-L1919 HydrophobicContact CB-CG 4.41Å; N1916-L1919 PolarHBondContact O-N 2.76Å; L1919-C1921 VanDerWaalsContact C-N 3.31Å; L1919-C1921 PolarHBondContact O-N 3.23Å; L1919-L1922 HydrophobicContact CD2-CD2 4.34Å; L1919-L1922 WeakPolarHBondContact O-CB 3.45Å; L1919-L1922 PolarHBondContact O-N 3.38Å; L1919-L1922 VanDerWaalsContact O-N 3.14Å; L1919-Y1923 HydrophobicContact CB-CE2 3.98Å; L1919-Y1923 HydrophobicContact CD2-CE1 3.99Å; L1919-Y1923 WeakPolarHBondContact CD2-OH 3.24Å; L1919-Y1923 WeakPolarHBondContact O-CD2 3.27Å; L1919-Y1923 PolarHBondContact O-N 2.91Å |
| 1920 | L | 78.6 | Confident | 72.2 | Confident | 111 Ų | 111 | 46.3 Ų | 46.3 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.8 | -42.3 | 176.6 | -148.4 | 85.7 | 0 | 0 | 0 | 111.2 | N1916 D1917 Y1923 R1924 | N1916-L1920 PolarHBondContact O-N 3.18Å; D1917-L1920 PolarHBondContact O-N 2.72Å; L1920-Y1923 PolarHBondContact O-N 3.17Å; L1920-R1924 VanDerWaalsContact O-CB 3.24Å; L1920-R1924 WeakPolarHBondContact O-CB 3.44Å; L1920-R1924 PolarHBondContact O-N 3.22Å |
| 1921 | C | 79.4 | Confident | 73.5 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -36.1 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | L1846 D1917 M1918 L1919 S1925 | L1846-C1921 HydrophobicContact CB-CB 4.01Å; D1917-C1921 WeakPolarHBondContact O-CB 3.45Å; D1917-C1921 PolarHBondContact O-N 3.47Å; D1917-C1921 PolarHBondContact O-SG 2.96Å; M1918-C1921 PolarHBondContact O-N 2.86Å; L1919-C1921 VanDerWaalsContact C-N 3.31Å; L1919-C1921 PolarHBondContact O-N 3.23Å; C1921-S1925 VanDerWaalsContact O-CB 3.24Å; C1921-S1925 WeakPolarHBondContact O-CB 3.29Å; C1921-S1925 PolarHBondContact O-N 3.19Å; C1921-S1925 PolarHBondContact O-OG 3.36Å |
| 1922 | L | 83.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -51.4 | 173.6 | 178.7 | 72.5 | 0 | 0 | 0 | 110.6 | L1846 C1894 L1895 V1898 M1918 L1919 R1924 S1925 V1926 | L1846-L1922 HydrophobicContact CD1-CB 4.18Å; L1846-L1922 HydrophobicContact CD1-CD1 4.46Å; L1846-L1922 HydrophobicContact CD2-CD1 3.94Å; C1894-L1922 HydrophobicContact CB-CD1 3.83Å; L1895-L1922 HydrophobicContact CD2-CD1 4.45Å; L1895-L1922 HydrophobicContact CD2-CD2 4.17Å; V1898-L1922 HydrophobicContact CB-CD2 3.83Å; V1898-L1922 HydrophobicContact CG1-CD2 3.8Å; V1898-L1922 HydrophobicContact CG2-CD1 4.13Å; V1898-L1922 HydrophobicContact CG2-CD2 4.07Å; M1918-L1922 WeakPolarHBondContact O-CB 3.47Å; M1918-L1922 PolarHBondContact O-N 2.76Å; L1919-L1922 HydrophobicContact CD2-CD2 4.34Å; L1919-L1922 WeakPolarHBondContact O-CB 3.45Å; L1919-L1922 PolarHBondContact O-N 3.38Å; L1919-L1922 VanDerWaalsContact O-N 3.14Å; L1922-R1924 VanDerWaalsContact C-N 3.3Å; L1922-R1924 PolarHBondContact O-N 3.14Å; L1922-S1925 WeakPolarHBondContact CA-OG 3.35Å; L1922-S1925 PolarHBondContact O-N 2.96Å; L1922-S1925 PolarHBondContact O-OG 3.12Å; L1922-V1926 HydrophobicContact CD1-CG2 4.06Å; L1922-V1926 HydrophobicContact CG-CG2 4.44Å; L1922-V1926 WeakPolarHBondContact O-CG2 3.44Å; L1922-V1926 PolarHBondContact O-N 3.3Å |
| 1923 | Y | 83.6 | Confident | 75.4 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 179.4 | -54.4 | -30.2 | 0 | 0 | 0 | 110.9 | L1919 L1920 A1927 V1976 R1979 I1980 | L1919-Y1923 HydrophobicContact CB-CE2 3.98Å; L1919-Y1923 HydrophobicContact CD2-CE1 3.99Å; L1919-Y1923 WeakPolarHBondContact CD2-OH 3.24Å; L1919-Y1923 WeakPolarHBondContact O-CD2 3.27Å; L1919-Y1923 PolarHBondContact O-N 2.91Å; L1920-Y1923 PolarHBondContact O-N 3.17Å; Y1923-A1927 WeakPolarHBondContact O-CB 3.36Å; Y1923-A1927 PolarHBondContact O-N 3.49Å; Y1923-V1976 HydrophobicContact CE1-CB 4.39Å; Y1923-V1976 HydrophobicContact CE1-CG1 4.03Å; Y1923-V1976 HydrophobicContact CE1-CG2 4.35Å; Y1923-R1979 HydrophobicContact CD1-CB 4.17Å; Y1923-R1979 HydrophobicContact CD2-CB 3.93Å; Y1923-R1979 HydrophobicContact CE1-CB 4Å; Y1923-R1979 HydrophobicContact CE2-CB 3.74Å; Y1923-R1979 HydrophobicContact CE2-CG 4.04Å; Y1923-R1979 HydrophobicContact CG-CB 4.14Å; Y1923-I1980 HydrophobicContact CD1-CG1 3.82Å |
| 1924 | R | 83.1 | Confident | 76.1 | Confident | 95 Ų | 95 | 37.8 Ų | 37.8 | 36% | 0.358 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.8 | -163.3 | -177.5 | -179 | 166.3 | -2.8 | 112.8 | E1854 L1920 L1922 S1928 Y1987 | E1854-R1924 IonicContact OE1-CZ 3.53Å; E1854-R1924 IonicContact OE1-NE 2.83Å; E1854-R1924 PolarHBondContact OE1-NE 2.98Å; E1854-R1924 IonicContact OE1-NH2 3.73Å; E1854-R1924 PolarHBondContact OE1-NH2 3.16Å; E1854-R1924 IonicContact OE2-CZ 2.64Å; E1854-R1924 IonicContact OE2-NE 3.62Å; E1854-R1924 IonicContact OE2-NH2 3.12Å; E1854-R1924 PolarHBondContact OE2-NH2 3.37Å; L1920-R1924 VanDerWaalsContact O-CB 3.24Å; L1920-R1924 WeakPolarHBondContact O-CB 3.44Å; L1920-R1924 PolarHBondContact O-N 3.22Å; L1922-R1924 VanDerWaalsContact C-N 3.3Å; L1922-R1924 PolarHBondContact O-N 3.14Å; R1924-S1928 VanDerWaalsContact O-CB 3.31Å; R1924-S1928 WeakPolarHBondContact O-CB 3.41Å; R1924-S1928 PolarHBondContact O-N 2.86Å; R1924-S1928 PolarHBondContact O-OG 3.17Å; R1924-Y1987 WeakPolarHBondContact CG-OH 3.5Å |
| 1925 | S | 82.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.9 | -43.4 | -180 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | L1846 C1921 L1922 S1928 L1929 | L1846-S1925 WeakPolarHBondContact O-CB 3.37Å; C1921-S1925 VanDerWaalsContact O-CB 3.24Å; C1921-S1925 WeakPolarHBondContact O-CB 3.29Å; C1921-S1925 PolarHBondContact O-N 3.19Å; C1921-S1925 PolarHBondContact O-OG 3.36Å; L1922-S1925 WeakPolarHBondContact CA-OG 3.35Å; L1922-S1925 PolarHBondContact O-N 2.96Å; L1922-S1925 PolarHBondContact O-OG 3.12Å; S1925-S1928 PolarHBondContact O-OG 2.8Å; S1925-L1929 WeakPolarHBondContact O-CB 3.49Å; S1925-L1929 VanDerWaalsContact O-CG 3.23Å; S1925-L1929 WeakPolarHBondContact O-CG 3.42Å; S1925-L1929 PolarHBondContact O-N 3.12Å |
| 1926 | V | 82.4 | Confident | 77.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.7 | -43.2 | 178 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | I1891 L1922 L1929 I1930 I1980 | I1891-V1926 HydrophobicContact CG2-CG1 3.93Å; I1891-V1926 HydrophobicContact CG2-CG2 4.27Å; L1922-V1926 HydrophobicContact CD1-CG2 4.06Å; L1922-V1926 HydrophobicContact CG-CG2 4.44Å; L1922-V1926 WeakPolarHBondContact O-CG2 3.44Å; L1922-V1926 PolarHBondContact O-N 3.3Å; V1926-L1929 PolarHBondContact O-N 2.88Å; V1926-I1930 HydrophobicContact CG1-CD1 3.66Å; V1926-I1930 HydrophobicContact CG1-CG1 4.4Å; V1926-I1930 VanDerWaalsContact O-CG1 3.27Å; V1926-I1930 WeakPolarHBondContact O-CG1 3.49Å; V1926-I1930 PolarHBondContact O-N 3.12Å; V1926-I1980 HydrophobicContact CB-CD1 4.39Å; V1926-I1980 HydrophobicContact CB-CG2 4.34Å; V1926-I1980 HydrophobicContact CG1-CD1 4.15Å; V1926-I1980 HydrophobicContact CG1-CG2 3.82Å |
| 1927 | A | 81.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1923 L1929 I1930 S1931 R1983 I1984 Y1987 | Y1923-A1927 WeakPolarHBondContact O-CB 3.36Å; Y1923-A1927 PolarHBondContact O-N 3.49Å; A1927-L1929 PolarHBondContact O-N 3.08Å; A1927-I1930 PolarHBondContact O-N 2.99Å; A1927-S1931 PolarHBondContact O-N 2.78Å; A1927-S1931 PolarHBondContact O-OG 3.22Å; A1927-R1983 HydrophobicContact CB-CB 3.94Å; A1927-R1983 HydrophobicContact CB-CG 4.13Å; A1927-I1984 HydrophobicContact CB-CG1 3.81Å; A1927-Y1987 HydrophobicContact CB-CD2 3.98Å; A1927-Y1987 HydrophobicContact CB-CE2 3.92Å |
| 1928 | S | 83 | Confident | 78.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.3 | -30.5 | 178.9 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | R1924 S1925 S1931 S1932 | R1924-S1928 VanDerWaalsContact O-CB 3.31Å; R1924-S1928 WeakPolarHBondContact O-CB 3.41Å; R1924-S1928 PolarHBondContact O-N 2.86Å; R1924-S1928 PolarHBondContact O-OG 3.17Å; S1925-S1928 PolarHBondContact O-OG 2.8Å; S1928-S1931 WeakPolarHBondContact CA-OG 3.43Å; S1928-S1931 PolarHBondContact O-OG 2.98Å; S1928-S1931 VanDerWaalsContact O-OG 3.12Å; S1928-S1932 WeakPolarHBondContact O-CB 3.5Å; S1928-S1932 PolarHBondContact O-N 3.21Å; S1928-S1932 PolarHBondContact O-OG 3.14Å |
| 1929 | L | 79.3 | Confident | 78.3 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.5 | -33 | 172.7 | -74.6 | 172.6 | 0 | 0 | 0 | 112.6 | L1849 F1852 F1876 L1890 S1925 V1926 A1927 S1932 | L1849-L1929 HydrophobicContact CD2-CD1 4.5Å; F1852-L1929 HydrophobicContact CD1-CD2 4.4Å; F1876-L1929 HydrophobicContact CZ-CD2 4.32Å; L1890-L1929 HydrophobicContact CD2-CD1 4.42Å; S1925-L1929 WeakPolarHBondContact O-CB 3.49Å; S1925-L1929 VanDerWaalsContact O-CG 3.23Å; S1925-L1929 WeakPolarHBondContact O-CG 3.42Å; S1925-L1929 PolarHBondContact O-N 3.12Å; V1926-L1929 PolarHBondContact O-N 2.88Å; A1927-L1929 PolarHBondContact O-N 3.08Å; L1929-S1932 WeakPolarHBondContact CA-OG 3.46Å; L1929-S1932 PolarHBondContact O-OG 3.45Å; L1929-S1932 VanDerWaalsContact O-OG 3.11Å |
| 1930 | I | 79.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.7 | -38.8 | 175.4 | -68.4 | 169.2 | 0 | 0 | 0 | 110.6 | I1891 V1926 A1927 S1932 L1933 R1939 I1942 L1946 I1984 | I1891-I1930 HydrophobicContact CD1-CG1 4.3Å; V1926-I1930 HydrophobicContact CG1-CD1 3.66Å; V1926-I1930 HydrophobicContact CG1-CG1 4.4Å; V1926-I1930 VanDerWaalsContact O-CG1 3.27Å; V1926-I1930 WeakPolarHBondContact O-CG1 3.49Å; V1926-I1930 PolarHBondContact O-N 3.12Å; A1927-I1930 PolarHBondContact O-N 2.99Å; I1930-S1932 VanDerWaalsContact C-N 3.32Å; I1930-S1932 PolarHBondContact O-N 3.33Å; I1930-L1933 PolarHBondContact O-N 3.16Å; I1930-R1939 HydrophobicContact CG2-CG 4.44Å; I1930-R1939 WeakPolarHBondContact O-CD 3.1Å; I1930-I1942 HydrophobicContact CD1-CG2 4.18Å; I1930-I1942 HydrophobicContact CG1-CG2 4.2Å; I1930-L1946 HydrophobicContact CD1-CD1 3.91Å; I1930-I1984 HydrophobicContact CB-CD1 4.42Å; I1930-I1984 HydrophobicContact CD1-CD1 4.04Å; I1930-I1984 HydrophobicContact CG2-CD1 4.14Å |
| 1931 | S | 77.1 | Confident | 78.6 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.8 | -24.4 | 179.3 | 65.2 | 0 | 0 | 0 | 0 | 114 | A1927 S1928 L1933 | A1927-S1931 PolarHBondContact O-N 2.78Å; A1927-S1931 PolarHBondContact O-OG 3.22Å; S1928-S1931 WeakPolarHBondContact CA-OG 3.43Å; S1928-S1931 PolarHBondContact O-OG 2.98Å; S1928-S1931 VanDerWaalsContact O-OG 3.12Å; S1931-L1933 VanDerWaalsContact C-N 3.26Å; S1931-L1933 PolarHBondContact O-N 3.46Å |
| 1932 | S | 75.8 | Confident | 78.7 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 0.9 | 177 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | S1928 L1929 I1930 | S1928-S1932 WeakPolarHBondContact O-CB 3.5Å; S1928-S1932 PolarHBondContact O-N 3.21Å; S1928-S1932 PolarHBondContact O-OG 3.14Å; L1929-S1932 WeakPolarHBondContact CA-OG 3.46Å; L1929-S1932 PolarHBondContact O-OG 3.45Å; L1929-S1932 VanDerWaalsContact O-OG 3.11Å; I1930-S1932 VanDerWaalsContact C-N 3.32Å; I1930-S1932 PolarHBondContact O-N 3.33Å |
| 1933 | L | 75.3 | Confident | 78.6 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -81.1 | 127.1 | 175.7 | -69.9 | 162.8 | 0 | 0 | 0 | 110.7 | F1876 I1930 S1931 D1935 R1939 I1942 | F1876-L1933 HydrophobicContact CE1-CD2 3.96Å; F1876-L1933 HydrophobicContact CE1-CG 4.43Å; F1876-L1933 HydrophobicContact CZ-CD2 4.49Å; I1930-L1933 PolarHBondContact O-N 3.16Å; S1931-L1933 VanDerWaalsContact C-N 3.26Å; S1931-L1933 PolarHBondContact O-N 3.46Å; L1933-D1935 PolarHBondContact O-N 3.45Å; L1933-R1939 HydrophobicContact CB-CG 3.85Å; L1933-R1939 HydrophobicContact CD1-CG 4.38Å; L1933-I1942 HydrophobicContact CD1-CD1 3.49Å; L1933-I1942 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 1934 | P | 69.2 | Low | 78.5 | Confident | 74 Ų | 74 | 38.5 Ų | 38.5 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -72.2 | -26.3 | -172.9 | 27.8 | -35.1 | 0 | 0 | 0 | 114.3 | A1877 | A1877-P1934 HydrophobicContact CB-CG 4.01Š|
| 1935 | D | 72.1 | Confident | 78.4 | Confident | 99 Ų | 99 | 36.6 Ų | 36.6 | 53% | 0.529 | 19% | 0.19 | S | C | . | . | trans | -103.4 | 122.5 | -172.8 | -68.9 | -19.6 | 0 | 0 | 0 | 112.2 | L1933 N1937 T1938 R1939 | L1933-D1935 PolarHBondContact O-N 3.45Å; D1935-N1937 VanDerWaalsContact C-N 3.27Å; D1935-N1937 PolarHBondContact O-N 3Å; D1935-T1938 HydrophobicContact CB-CG2 3.72Å; D1935-T1938 PolarHBondContact O-N 2.71Å; D1935-T1938 PolarHBondContact O-OG1 3.32Å; D1935-R1939 PolarHBondContact O-N 3.43Å; D1935-R1939 VanDerWaalsContact O-N 3.15Å | ||
| 1936 | D | 72.7 | Confident | 78.4 | Confident | 95 Ų | 95 | 36.7 Ų | 36.7 | 51% | 0.508 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54.3 | -41.7 | 177.4 | -59.9 | -6.6 | 0 | 0 | 0 | 112.7 | T1938 R1939 L1940 | D1936-T1938 PolarHBondContact O-N 2.97Å; D1936-R1939 WeakPolarHBondContact O-CB 3.17Å; D1936-R1939 PolarHBondContact O-N 2.61Å; D1936-R1939 IonicContact OD1-CZ 3.35Å; D1936-R1939 IonicContact OD1-NE 3.96Å; D1936-R1939 IonicContact OD1-NH2 2.67Å; D1936-R1939 PolarHBondContact OD1-NH2 3.26Å; D1936-L1940 PolarHBondContact O-N 2.9Å |
| 1937 | N | 74.7 | Confident | 78.2 | Confident | 129 Ų | 129 | 37.2 Ų | 37.2 | 69% | 0.69 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -62.2 | -32.4 | 178 | -73.1 | -31.5 | 0 | 0 | 0 | 112.4 | D1935 K1941 | D1935-N1937 VanDerWaalsContact C-N 3.27Å; D1935-N1937 PolarHBondContact O-N 3Å; N1937-K1941 WeakPolarHBondContact O-CB 3.34Å; N1937-K1941 PolarHBondContact O-N 3.16Å |
| 1938 | T | 76 | Confident | 78.2 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.6 | -40.5 | 178.3 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | D1935 D1936 L1940 K1941 I1942 | D1935-T1938 HydrophobicContact CB-CG2 3.72Å; D1935-T1938 PolarHBondContact O-N 2.71Å; D1935-T1938 PolarHBondContact O-OG1 3.32Å; D1936-T1938 PolarHBondContact O-N 2.97Å; T1938-L1940 VanDerWaalsContact C-N 3.31Å; T1938-L1940 PolarHBondContact O-N 3.4Å; T1938-K1941 PolarHBondContact O-N 2.8Å; T1938-I1942 PolarHBondContact O-N 3.33Å |
| 1939 | R | 81.2 | Confident | 78.2 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.3 | -48.4 | 171.5 | -66.9 | -172.1 | -87.6 | 168.2 | -18 | 110 | I1930 L1933 D1935 D1936 K1941 I1942 C1943 E1992 L1996 | I1930-R1939 HydrophobicContact CG2-CG 4.44Å; I1930-R1939 WeakPolarHBondContact O-CD 3.1Å; L1933-R1939 HydrophobicContact CB-CG 3.85Å; L1933-R1939 HydrophobicContact CD1-CG 4.38Å; D1935-R1939 PolarHBondContact O-N 3.43Å; D1935-R1939 VanDerWaalsContact O-N 3.15Å; D1936-R1939 WeakPolarHBondContact O-CB 3.17Å; D1936-R1939 PolarHBondContact O-N 2.61Å; D1936-R1939 IonicContact OD1-CZ 3.35Å; D1936-R1939 IonicContact OD1-NE 3.96Å; D1936-R1939 IonicContact OD1-NH2 2.67Å; D1936-R1939 PolarHBondContact OD1-NH2 3.26Å; R1939-K1941 PolarHBondContact O-N 3.05Å; R1939-I1942 PolarHBondContact O-N 2.94Å; R1939-C1943 WeakPolarHBondContact O-CB 3.31Å; R1939-C1943 PolarHBondContact O-N 2.72Å; R1939-C1943 PolarHBondContact O-SG 2.91Å; R1939-C1943 VanDerWaalsContact O-SG 3.33Å; R1939-E1992 IonicContact CZ-OE1 3.99Å; R1939-E1992 IonicContact CZ-OE2 3.28Å; R1939-E1992 IonicContact NH1-OE1 3.5Å; R1939-E1992 IonicContact NH1-OE2 3.81Å; R1939-E1992 PolarHBondContact NH1-OE2 2.67Å; R1939-E1992 IonicContact NH2-OE1 3.8Å; R1939-E1992 PolarHBondContact NH2-OE1 3.21Å; R1939-E1992 IonicContact NH2-OE2 3.1Å; R1939-E1992 PolarHBondContact NH2-OE2 2.74Å; R1939-E1992 VanDerWaalsContact NH2-OE2 3.16Å; R1939-L1996 HydrophobicContact CB-CD1 4.05Å |
| 1940 | L | 78.7 | Confident | 78.1 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 175 | -178.1 | 69.8 | 0 | 0 | 0 | 112 | D1936 T1938 I1942 C1943 Q1944 Q1999 M2000 | D1936-L1940 PolarHBondContact O-N 2.9Å; T1938-L1940 VanDerWaalsContact C-N 3.31Å; T1938-L1940 PolarHBondContact O-N 3.4Å; L1940-I1942 VanDerWaalsContact C-N 3.34Å; L1940-I1942 PolarHBondContact O-N 3.31Å; L1940-C1943 PolarHBondContact O-N 3.05Å; L1940-Q1944 HydrophobicContact CD1-CG 4.33Å; L1940-Q1944 HydrophobicContact CG-CG 4.32Å; L1940-Q1944 WeakPolarHBondContact O-CB 3.5Å; L1940-Q1944 WeakPolarHBondContact O-CG 3.49Å; L1940-Q1944 PolarHBondContact O-N 3.24Å; L1940-Q1999 HydrophobicContact CD1-CB 3.48Å; L1940-Q1999 VanDerWaalsContact CD1-CB 3.48Å; L1940-Q1999 HydrophobicContact CD2-CB 4.39Å; L1940-M2000 HydrophobicContact CD1-CG 4.35Å |
| 1941 | K | 80.8 | Confident | 77.7 | Confident | 126 Ų | 126 | 43.7 Ų | 43.7 | 55% | 0.548 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -41.8 | -177.9 | -172.1 | 180 | 179.7 | -176.4 | 0 | 112.1 | N1937 T1938 R1939 Q1945 | N1937-K1941 WeakPolarHBondContact O-CB 3.34Å; N1937-K1941 PolarHBondContact O-N 3.16Å; T1938-K1941 PolarHBondContact O-N 2.8Å; R1939-K1941 PolarHBondContact O-N 3.05Å; K1941-Q1945 WeakPolarHBondContact O-CB 3.39Å; K1941-Q1945 VanDerWaalsContact O-CG 3.27Å; K1941-Q1945 WeakPolarHBondContact O-CG 3.42Å; K1941-Q1945 PolarHBondContact O-N 3.24Å |
| 1942 | I | 81.1 | Confident | 77.4 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | 176.8 | -69.1 | 174.9 | 0 | 0 | 0 | 110.5 | W1888 I1891 I1930 L1933 T1938 R1939 L1940 Q1944 Q1945 L1946 | W1888-I1942 HydrophobicContact CE3-CG2 4.11Å; W1888-I1942 HydrophobicContact CZ3-CG2 4.33Å; I1891-I1942 HydrophobicContact CD1-CG2 4.32Å; I1930-I1942 HydrophobicContact CD1-CG2 4.18Å; I1930-I1942 HydrophobicContact CG1-CG2 4.2Å; L1933-I1942 HydrophobicContact CD1-CD1 3.49Å; L1933-I1942 VanDerWaalsContact CD1-CD1 3.49Å; T1938-I1942 PolarHBondContact O-N 3.33Å; R1939-I1942 PolarHBondContact O-N 2.94Å; L1940-I1942 VanDerWaalsContact C-N 3.34Å; L1940-I1942 PolarHBondContact O-N 3.31Å; I1942-Q1944 VanDerWaalsContact C-N 3.35Å; I1942-Q1944 PolarHBondContact O-N 3.25Å; I1942-Q1945 CarbonylContact O-C 3.53Å; I1942-Q1945 WeakPolarHBondContact O-CA 3.35Å; I1942-Q1945 WeakPolarHBondContact O-CB 3.2Å; I1942-Q1945 PolarHBondContact O-N 3.01Å; I1942-Q1945 VanDerWaalsContact O-N 3.11Å; I1942-L1946 WeakPolarHBondContact O-CG 3.35Å; I1942-L1946 PolarHBondContact O-N 2.95Å |
| 1943 | C | 80.5 | Confident | 76.7 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 175.8 | -73.6 | 0 | 0 | 0 | 0 | 112.8 | R1939 L1940 Q1945 L1946 L1947 M2000 | R1939-C1943 WeakPolarHBondContact O-CB 3.31Å; R1939-C1943 PolarHBondContact O-N 2.72Å; R1939-C1943 PolarHBondContact O-SG 2.91Å; R1939-C1943 VanDerWaalsContact O-SG 3.33Å; L1940-C1943 PolarHBondContact O-N 3.05Å; C1943-Q1945 VanDerWaalsContact C-N 3.34Å; C1943-L1946 WeakPolarHBondContact O-CB 3.49Å; C1943-L1946 PolarHBondContact O-N 2.84Å; C1943-L1947 PolarHBondContact O-N 3.49Å; C1943-M2000 HydrophobicContact CB-CE 3.72Å; C1943-M2000 HydrophobicContact CB-CG 4.32Å; C1943-M2000 HydrophobicContact CB-SD 3.56Å; C1943-M2000 VanDerWaalsContact CB-SD 3.56Å |
| 1944 | Q | 81.6 | Confident | 76.1 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 170.5 | -74.1 | 176.6 | -7.5 | 0 | 0 | 111 | L1940 I1942 L1946 L1947 T1948 | L1940-Q1944 HydrophobicContact CD1-CG 4.33Å; L1940-Q1944 HydrophobicContact CG-CG 4.32Å; L1940-Q1944 WeakPolarHBondContact O-CB 3.5Å; L1940-Q1944 WeakPolarHBondContact O-CG 3.49Å; L1940-Q1944 PolarHBondContact O-N 3.24Å; I1942-Q1944 VanDerWaalsContact C-N 3.35Å; I1942-Q1944 PolarHBondContact O-N 3.25Å; Q1944-L1946 VanDerWaalsContact C-N 3.34Å; Q1944-L1946 PolarHBondContact O-N 3.48Å; Q1944-L1947 PolarHBondContact O-N 3.26Å; Q1944-T1948 WeakPolarHBondContact O-CG2 3.24Å; Q1944-T1948 PolarHBondContact O-N 3.43Å |
| 1945 | Q | 81.6 | Confident | 75.1 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 174.4 | -76.5 | 177.1 | -16.7 | 0 | 0 | 112.3 | W1888 K1941 I1942 C1943 T1948 W1949 | W1888-Q1945 HydrophobicContact CD2-CB 4.17Å; W1888-Q1945 HydrophobicContact CE3-CB 4.03Å; W1888-Q1945 VanDerWaalsContact CG-OE1 3.29Å; W1888-Q1945 VanDerWaalsContact CH2-C 3.48Å; W1888-Q1945 HydrophobicContact CH2-CB 3.61Å; W1888-Q1945 HydrophobicContact CZ2-CB 3.75Å; W1888-Q1945 HydrophobicContact CZ3-CB 3.75Å; K1941-Q1945 WeakPolarHBondContact O-CB 3.39Å; K1941-Q1945 VanDerWaalsContact O-CG 3.27Å; K1941-Q1945 WeakPolarHBondContact O-CG 3.42Å; K1941-Q1945 PolarHBondContact O-N 3.24Å; I1942-Q1945 CarbonylContact O-C 3.53Å; I1942-Q1945 WeakPolarHBondContact O-CA 3.35Å; I1942-Q1945 WeakPolarHBondContact O-CB 3.2Å; I1942-Q1945 PolarHBondContact O-N 3.01Å; I1942-Q1945 VanDerWaalsContact O-N 3.11Å; C1943-Q1945 VanDerWaalsContact C-N 3.34Å; Q1945-T1948 VanDerWaalsContact CA-OG1 3.29Å; Q1945-T1948 WeakPolarHBondContact CA-OG1 3.45Å; Q1945-T1948 PolarHBondContact O-N 3.34Å; Q1945-T1948 PolarHBondContact O-OG1 3.3Å; Q1945-W1949 WeakPolarHBondContact O-CB 3.32Å; Q1945-W1949 PolarHBondContact O-N 2.96Å |
| 1946 | L | 82.4 | Confident | 74.1 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 172.2 | -70.6 | 174.5 | 0 | 0 | 0 | 111.5 | W1888 I1891 L1895 I1930 I1942 C1943 Q1944 T1948 W1949 V1950 V1977 | W1888-L1946 HydrophobicContact CH2-CD2 4.03Å; W1888-L1946 HydrophobicContact CH2-CG 4.4Å; W1888-L1946 HydrophobicContact CZ3-CD2 3.7Å; W1888-L1946 HydrophobicContact CZ3-CG 3.94Å; I1891-L1946 HydrophobicContact CG2-CD2 4.22Å; L1895-L1946 HydrophobicContact CD1-CD2 3.22Å; I1930-L1946 HydrophobicContact CD1-CD1 3.91Å; I1942-L1946 WeakPolarHBondContact O-CG 3.35Å; I1942-L1946 PolarHBondContact O-N 2.95Å; C1943-L1946 WeakPolarHBondContact O-CB 3.49Å; C1943-L1946 PolarHBondContact O-N 2.84Å; Q1944-L1946 VanDerWaalsContact C-N 3.34Å; Q1944-L1946 PolarHBondContact O-N 3.48Å; L1946-T1948 VanDerWaalsContact C-N 3.35Å; L1946-T1948 PolarHBondContact O-N 3.36Å; L1946-W1949 WeakPolarHBondContact O-CB 3.43Å; L1946-W1949 PolarHBondContact O-N 2.87Å; L1946-V1950 PolarHBondContact O-N 2.94Å; L1946-V1977 HydrophobicContact CB-CG2 4.36Å |
| 1947 | L | 79.1 | Confident | 73.1 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 175.6 | -71.8 | 171 | 0 | 0 | 0 | 112 | C1943 Q1944 W1949 V1950 L1974 V1977 M2000 Y2005 | C1943-L1947 PolarHBondContact O-N 3.49Å; Q1944-L1947 PolarHBondContact O-N 3.26Å; L1947-W1949 VanDerWaalsContact C-N 3.34Å; L1947-W1949 PolarHBondContact O-N 3.41Å; L1947-V1950 WeakPolarHBondContact O-CB 3.29Å; L1947-V1950 PolarHBondContact O-N 3.41Å; L1947-L1974 HydrophobicContact CD2-CD1 4.39Å; L1947-V1977 HydrophobicContact CD2-CG1 4.14Å; L1947-M2000 HydrophobicContact CD1-CB 4.29Å; L1947-M2000 HydrophobicContact CD1-CE 3.5Å; L1947-M2000 HydrophobicContact CD1-CG 4.45Å; L1947-M2000 HydrophobicContact CD2-CE 4.48Å; L1947-M2000 HydrophobicContact CG-CE 3.89Å; L1947-Y2005 HydrophobicContact CD1-CE2 3.96Å; L1947-Y2005 HydrophobicContact CD2-CE1 4.1Å; L1947-Y2005 HydrophobicContact CD2-CE2 4.2Å |
| 1948 | T | 81.2 | Confident | 71.5 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 174.6 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | Q1944 Q1945 L1946 V1950 N1951 V1952 | Q1944-T1948 WeakPolarHBondContact O-CG2 3.24Å; Q1944-T1948 PolarHBondContact O-N 3.43Å; Q1945-T1948 VanDerWaalsContact CA-OG1 3.29Å; Q1945-T1948 WeakPolarHBondContact CA-OG1 3.45Å; Q1945-T1948 PolarHBondContact O-N 3.34Å; Q1945-T1948 PolarHBondContact O-OG1 3.3Å; L1946-T1948 VanDerWaalsContact C-N 3.35Å; L1946-T1948 PolarHBondContact O-N 3.36Å; T1948-V1950 VanDerWaalsContact C-N 3.27Å; T1948-V1950 PolarHBondContact O-N 3.05Å; T1948-N1951 WeakPolarHBondContact O-CA 3.14Å; T1948-N1951 WeakPolarHBondContact O-CB 3.4Å; T1948-N1951 PolarHBondContact O-N 3.18Å; T1948-V1952 WeakPolarHBondContact O-CG2 3.28Å; T1948-V1952 PolarHBondContact O-N 3.44Å |
| 1949 | W | 81.9 | Confident | 70.4 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 3% | 0.034 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -31.6 | 177.2 | 168.7 | 82.5 | 0 | 0 | 0 | 112.7 | W1888 H1892 L1895 C1896 V1899 Q1945 L1946 L1947 N1951 V1952 R1973 V1977 | W1888-W1949 HydrophobicContact CH2-CB 4.38Å; H1892-W1949 AromaticContact CD2-CD1 3.64Å; H1892-W1949 AromaticContact NE2-CD1 3.6Å; H1892-W1949 AromaticContact NE2-NE1 3.9Å; L1895-W1949 HydrophobicContact CB-CH2 4.32Å; L1895-W1949 HydrophobicContact CB-CZ2 4.17Å; C1896-W1949 PolarHBondContact SG-NE1 3.38Å; C1896-W1949 VanDerWaalsContact SG-NE1 3.41Å; V1899-W1949 HydrophobicContact CB-CH2 4.37Å; V1899-W1949 HydrophobicContact CB-CZ2 4.39Å; V1899-W1949 HydrophobicContact CG1-CH2 4.47Å; V1899-W1949 HydrophobicContact CG2-CH2 3.61Å; V1899-W1949 HydrophobicContact CG2-CZ2 4.05Å; Q1945-W1949 WeakPolarHBondContact O-CB 3.32Å; Q1945-W1949 PolarHBondContact O-N 2.96Å; L1946-W1949 WeakPolarHBondContact O-CB 3.43Å; L1946-W1949 PolarHBondContact O-N 2.87Å; L1947-W1949 VanDerWaalsContact C-N 3.34Å; L1947-W1949 PolarHBondContact O-N 3.41Å; W1949-N1951 PolarHBondContact O-N 2.89Å; W1949-V1952 PolarHBondContact O-N 3.18Å; W1949-R1973 HydrophobicContact CE3-CB 4.29Å; W1949-R1973 HydrophobicContact CE3-CG 4.46Å; W1949-R1973 HydrophobicContact CH2-CB 3.87Å; W1949-R1973 HydrophobicContact CH2-CG 3.48Å; W1949-R1973 VanDerWaalsContact CH2-CG 3.48Å; W1949-R1973 HydrophobicContact CZ2-CG 3.99Å; W1949-R1973 HydrophobicContact CZ3-CB 3.62Å; W1949-R1973 HydrophobicContact CZ3-CG 3.76Å; W1949-R1973 PolarHBondContact O-NH1 3.32Å; W1949-R1973 VanDerWaalsContact O-NH1 3.12Å; W1949-V1977 HydrophobicContact CZ3-CG2 4.43Å |
| 1950 | V | 77.4 | Confident | 69 | Low | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.7 | -38.3 | 170.5 | 178.1 | 0 | 0 | 0 | 0 | 111 | L1946 L1947 T1948 M1970 R1973 L1974 V1977 | L1946-V1950 PolarHBondContact O-N 2.94Å; L1947-V1950 WeakPolarHBondContact O-CB 3.29Å; L1947-V1950 PolarHBondContact O-N 3.41Å; T1948-V1950 VanDerWaalsContact C-N 3.27Å; T1948-V1950 PolarHBondContact O-N 3.05Å; V1950-M1970 HydrophobicContact CG1-CB 4.45Å; V1950-M1970 WeakPolarHBondContact CG1-O 3.42Å; V1950-R1973 HydrophobicContact CB-CB 4.45Å; V1950-R1973 HydrophobicContact CG1-CB 4.28Å; V1950-R1973 HydrophobicContact CG2-CB 4.16Å; V1950-L1974 HydrophobicContact CG1-CB 3.97Å; V1950-L1974 HydrophobicContact CG1-CD1 4.25Å; V1950-L1974 HydrophobicContact CG2-CD1 4.22Å; V1950-V1977 HydrophobicContact CG2-CG2 3.78Å |
| 1951 | N | 72.3 | Confident | 68 | Low | 54 Ų | 54 | 77.9 Ų | 77.9 | 29% | 0.289 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.5 | -178.4 | -70.6 | -16.3 | 0 | 0 | 0 | 114.5 | T1948 W1949 R1953 M1970 | T1948-N1951 WeakPolarHBondContact O-CA 3.14Å; T1948-N1951 WeakPolarHBondContact O-CB 3.4Å; T1948-N1951 PolarHBondContact O-N 3.18Å; W1949-N1951 PolarHBondContact O-N 2.89Å; N1951-R1953 PolarHBondContact O-N 3.01Å; N1951-R1953 VanDerWaalsContact O-N 3.12Å; N1951-M1970 WeakPolarHBondContact OD1-CE 3.5Å |
| 1952 | V | 70.5 | Confident | 67.1 | Low | 75 Ų | 75 | 74.9 Ų | 74.9 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | trans | -68 | 112.2 | -178.5 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | T1948 W1949 R1973 | T1948-V1952 WeakPolarHBondContact O-CG2 3.28Å; T1948-V1952 PolarHBondContact O-N 3.44Å; W1949-V1952 PolarHBondContact O-N 3.18Å; V1952-R1973 PolarHBondContact O-NH1 2.9Å | ||
| 1953 | R | 61.1 | Low | 66.2 | Low | 124 Ų | 124 | 77.4 Ų | 77.4 | 47% | 0.468 | 41% | 0.405 | S | S | . | . | trans | -78 | 130.5 | 170.7 | -66.8 | -179.2 | -179.5 | -166 | -3.9 | 109.7 | N1951 E1958 | N1951-R1953 PolarHBondContact O-N 3.01Å; N1951-R1953 VanDerWaalsContact O-N 3.12Å; R1953-E1958 IonicContact CZ-OE1 3.78Å; R1953-E1958 IonicContact NH1-OE1 3.63Å; R1953-E1958 PolarHBondContact NH1-OE1 2.94Å | ||
| 1954 | N | 61.2 | Low | 65.4 | Low | 103 Ų | 103 | 83 Ų | 83 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | trans | -73.3 | 126.4 | 163.7 | -65.3 | -16.7 | 0 | 0 | 0 | 106.6 | E1956 | N1954-E1956 PolarHBondContact O-N 3.38Š| ||
| 1955 | N | 48.2 | Very low | 64.7 | Low | 163 Ų | 163 | 84.2 Ų | 84.2 | 87% | 0.872 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -65.8 | 85.8 | -170.7 | -64.9 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 1956 | E | 51.3 | Low | 64.1 | Low | 162 Ų | 162 | 84.3 Ų | 84.3 | 76% | 0.757 | 44% | 0.441 | S | S | * | . | trans | -138.9 | 139.8 | 172.6 | -65.2 | -171 | 174.4 | 0 | 0 | 110.7 | N1954 | N1954-E1956 PolarHBondContact O-N 3.38Š| ||
| 1957 | E | 51.5 | Low | 63.5 | Low | 189 Ų | 189 | 84.5 Ų | 84.5 | 88% | 0.883 | 44% | 0.442 | S | S | * | . | trans | -67.7 | 132.5 | -163.6 | -64.5 | 179.8 | 157.7 | 0 | 0 | 113.9 | S1959 Q1962 | E1957-S1959 PolarHBondContact O-N 3.25Å; E1957-Q1962 PolarHBondContact O-OE1 2.87Å | ||
| 1958 | E | 41.4 | Very low | 63.2 | Low | 123 Ų | 123 | 85.5 Ų | 85.5 | 58% | 0.575 | 45% | 0.447 | S | S | * | . | trans | -69.3 | 116.9 | -162.6 | -60.4 | -175.1 | 151.9 | 0 | 0 | 114.4 | R1953 R2032 | R1953-E1958 IonicContact CZ-OE1 3.78Å; R1953-E1958 IonicContact NH1-OE1 3.63Å; R1953-E1958 PolarHBondContact NH1-OE1 2.94Å; E1958-R2032 IonicContact OE1-NH1 2.77Å; E1958-R2032 PolarHBondContact OE1-NH1 2.65Å | ||
| 1959 | S | 53 | Low | 62.9 | Low | 61 Ų | 61 | 83.5 Ų | 83.5 | 43% | 0.427 | 43% | 0.432 | S | S | . | . | trans | -115.1 | 151.8 | 158.7 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | E1957 D1961 Q1962 | E1957-S1959 PolarHBondContact O-N 3.25Å; S1959-D1961 VanDerWaalsContact C-N 3.3Å; S1959-D1961 PolarHBondContact O-N 3.35Å; S1959-Q1962 WeakPolarHBondContact O-CB 3.47Å; S1959-Q1962 PolarHBondContact O-N 3.48Å; S1959-Q1962 WeakPolarHBondContact OG-CG 3.2Å; S1959-Q1962 PolarHBondContact OG-NE2 3.34Å | ||
| 1960 | G | 53 | Low | 62.7 | Low | 57 Ų | 57 | 84.5 Ų | 84.5 | 59% | 0.588 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -57.6 | -34.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1963 | G1960-I1963 PolarHBondContact O-N 2.88Å |
| 1961 | D | 57.2 | Low | 62.6 | Low | 137 Ų | 137 | 84.8 Ų | 84.8 | 73% | 0.733 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72.4 | -32 | 176.3 | -76 | -28 | 0 | 0 | 0 | 112.5 | S1959 I1963 K1964 | S1959-D1961 VanDerWaalsContact C-N 3.3Å; S1959-D1961 PolarHBondContact O-N 3.35Å; D1961-I1963 PolarHBondContact O-N 3.5Å; D1961-K1964 PolarHBondContact O-N 3.21Å |
| 1962 | Q | 62.2 | Low | 62.8 | Low | 64 Ų | 64 | 83.1 Ų | 83.1 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.5 | -25.4 | 175.3 | -68.9 | 168.9 | -10 | 0 | 0 | 112.4 | E1957 S1959 K1964 D1965 I1966 | E1957-Q1962 PolarHBondContact O-OE1 2.87Å; S1959-Q1962 WeakPolarHBondContact O-CB 3.47Å; S1959-Q1962 PolarHBondContact O-N 3.48Å; S1959-Q1962 WeakPolarHBondContact OG-CG 3.2Å; S1959-Q1962 PolarHBondContact OG-NE2 3.34Å; Q1962-K1964 PolarHBondContact O-N 2.95Å; Q1962-D1965 PolarHBondContact O-N 2.86Å; Q1962-I1966 HydrophobicContact CB-CD1 4.2Å; Q1962-I1966 VanDerWaalsContact O-CB 3.31Å; Q1962-I1966 WeakPolarHBondContact O-CB 3.17Å; Q1962-I1966 WeakPolarHBondContact O-CD1 3.34Å; Q1962-I1966 WeakPolarHBondContact O-CG1 3.39Å; Q1962-I1966 PolarHBondContact O-N 3.22Å |
| 1963 | I | 62.1 | Low | 63.5 | Low | 59 Ų | 59 | 80.1 Ų | 80.1 | 30% | 0.303 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 179.4 | -58.4 | 176.8 | 0 | 0 | 0 | 110 | G1960 D1961 T1967 C2036 | G1960-I1963 PolarHBondContact O-N 2.88Å; D1961-I1963 PolarHBondContact O-N 3.5Å; I1963-T1967 WeakPolarHBondContact O-CG2 3.46Å; I1963-T1967 PolarHBondContact O-N 3.34Å; I1963-T1967 PolarHBondContact O-OG1 3.43Å; I1963-C2036 VanDerWaalsContact CG2-SG 3.56Å |
| 1964 | K | 63.1 | Low | 64.5 | Low | 120 Ų | 120 | 74.2 Ų | 74.2 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 176.7 | -78.8 | -174.7 | 175.7 | 179.9 | 0 | 112.1 | D1961 Q1962 I1966 T1967 D1968 | D1961-K1964 PolarHBondContact O-N 3.21Å; Q1962-K1964 PolarHBondContact O-N 2.95Å; K1964-I1966 VanDerWaalsContact C-N 3.34Å; K1964-I1966 PolarHBondContact O-N 2.91Å; K1964-T1967 WeakPolarHBondContact CA-OG1 3.38Å; K1964-T1967 PolarHBondContact O-N 3.24Å; K1964-T1967 PolarHBondContact O-OG1 3.25Å; K1964-D1968 WeakPolarHBondContact O-CB 3.23Å; K1964-D1968 PolarHBondContact O-N 2.84Å |
| 1965 | D | 66.8 | Low | 65.5 | Low | 112 Ų | 112 | 69.6 Ų | 69.6 | 60% | 0.599 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 178 | -72.7 | -15.7 | 0 | 0 | 0 | 111.9 | Q1962 D1968 Q1969 | Q1962-D1965 PolarHBondContact O-N 2.86Å; D1965-D1968 PolarHBondContact O-N 3.38Å; D1965-Q1969 WeakPolarHBondContact O-CB 3.47Å; D1965-Q1969 PolarHBondContact O-N 3.47Å |
| 1966 | I | 69.5 | Low | 67.1 | Low | 58 Ų | 58 | 61.9 Ų | 61.9 | 30% | 0.297 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.9 | -68.2 | 163.2 | 0 | 0 | 0 | 109.6 | Q1962 K1964 Q1969 M1970 | Q1962-I1966 HydrophobicContact CB-CD1 4.2Å; Q1962-I1966 VanDerWaalsContact O-CB 3.31Å; Q1962-I1966 WeakPolarHBondContact O-CB 3.17Å; Q1962-I1966 WeakPolarHBondContact O-CD1 3.34Å; Q1962-I1966 WeakPolarHBondContact O-CG1 3.39Å; Q1962-I1966 PolarHBondContact O-N 3.22Å; K1964-I1966 VanDerWaalsContact C-N 3.34Å; K1964-I1966 PolarHBondContact O-N 2.91Å; I1966-Q1969 PolarHBondContact O-N 3.21Å; I1966-M1970 HydrophobicContact CG2-CG 4.45Å; I1966-M1970 HydrophobicContact CG2-SD 4.12Å; I1966-M1970 VanDerWaalsContact O-CG 3.23Å; I1966-M1970 WeakPolarHBondContact O-CG 3.5Å; I1966-M1970 PolarHBondContact O-N 3.33Å |
| 1967 | T | 70 | Confident | 68.7 | Low | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 178.1 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | I1963 K1964 Q1969 M1970 L1971 Y2037 | I1963-T1967 WeakPolarHBondContact O-CG2 3.46Å; I1963-T1967 PolarHBondContact O-N 3.34Å; I1963-T1967 PolarHBondContact O-OG1 3.43Å; K1964-T1967 WeakPolarHBondContact CA-OG1 3.38Å; K1964-T1967 PolarHBondContact O-N 3.24Å; K1964-T1967 PolarHBondContact O-OG1 3.25Å; T1967-Q1969 VanDerWaalsContact C-N 3.33Å; T1967-Q1969 PolarHBondContact O-N 2.73Å; T1967-M1970 WeakPolarHBondContact O-CB 3.3Å; T1967-M1970 PolarHBondContact O-N 3.37Å; T1967-L1971 VanDerWaalsContact O-CG 3.31Å; T1967-L1971 WeakPolarHBondContact O-CG 3.3Å; T1967-L1971 PolarHBondContact O-N 3.22Å; T1967-Y2037 WeakPolarHBondContact CB-OH 3.18Å; T1967-Y2037 PolarHBondContact OG1-OH 3.24Å; T1967-Y2037 VanDerWaalsContact OG1-OH 3.12Å |
| 1968 | D | 72.4 | Confident | 70.3 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -37.8 | 175.5 | -80.7 | -7.3 | 0 | 0 | 0 | 111 | K1964 D1965 L1971 L1972 Y2037 T2042 C2044 | K1964-D1968 WeakPolarHBondContact O-CB 3.23Å; K1964-D1968 PolarHBondContact O-N 2.84Å; D1965-D1968 PolarHBondContact O-N 3.38Å; D1968-L1971 PolarHBondContact O-N 2.8Å; D1968-L1972 WeakPolarHBondContact O-CB 3.48Å; D1968-L1972 PolarHBondContact O-N 3.44Å; D1968-Y2037 PolarHBondContact OD1-OH 3.18Å; D1968-T2042 PolarHBondContact OD1-OG1 3.3Å; D1968-C2044 HydrophobicContact CB-CB 4.07Å |
| 1969 | Q | 74.2 | Confident | 72.4 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 172.5 | -165.8 | -178.5 | 20.8 | 0 | 0 | 111.9 | N1903 D1965 I1966 T1967 L1971 L1972 R1973 | N1903-Q1969 PolarHBondContact ND2-NE2 3.4Å; D1965-Q1969 WeakPolarHBondContact O-CB 3.47Å; D1965-Q1969 PolarHBondContact O-N 3.47Å; I1966-Q1969 PolarHBondContact O-N 3.21Å; T1967-Q1969 VanDerWaalsContact C-N 3.33Å; T1967-Q1969 PolarHBondContact O-N 2.73Å; Q1969-L1971 VanDerWaalsContact C-N 3.32Å; Q1969-L1971 PolarHBondContact O-N 3.02Å; Q1969-L1972 PolarHBondContact O-N 3.21Å; Q1969-R1973 VanDerWaalsContact NE2-NH2 3.13Å; Q1969-R1973 VanDerWaalsContact O-CG 3.3Å; Q1969-R1973 WeakPolarHBondContact O-CG 3.39Å; Q1969-R1973 PolarHBondContact O-N 3.5Å |
| 1970 | M | 78.1 | Confident | 73.9 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 14% | 0.143 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 173.9 | -70.4 | 171.9 | 78.1 | 0 | 0 | 110.7 | V1950 N1951 I1966 T1967 R1973 L1974 F2030 | V1950-M1970 HydrophobicContact CG1-CB 4.45Å; V1950-M1970 WeakPolarHBondContact CG1-O 3.42Å; N1951-M1970 WeakPolarHBondContact OD1-CE 3.5Å; I1966-M1970 HydrophobicContact CG2-CG 4.45Å; I1966-M1970 HydrophobicContact CG2-SD 4.12Å; I1966-M1970 VanDerWaalsContact O-CG 3.23Å; I1966-M1970 WeakPolarHBondContact O-CG 3.5Å; I1966-M1970 PolarHBondContact O-N 3.33Å; T1967-M1970 WeakPolarHBondContact O-CB 3.3Å; T1967-M1970 PolarHBondContact O-N 3.37Å; M1970-R1973 PolarHBondContact O-N 3.02Å; M1970-L1974 WeakPolarHBondContact O-CB 3.28Å; M1970-L1974 PolarHBondContact O-N 3.18Å; M1970-F2030 HydrophobicContact CE-CD1 4.13Å; M1970-F2030 HydrophobicContact CE-CE1 3.85Å |
| 1971 | L | 76 | Confident | 75.3 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -39.3 | 177.7 | -71.2 | 168 | 0 | 0 | 0 | 112.6 | T1967 D1968 Q1969 L1974 S1975 Y2037 V2045 C2048 | T1967-L1971 VanDerWaalsContact O-CG 3.31Å; T1967-L1971 WeakPolarHBondContact O-CG 3.3Å; T1967-L1971 PolarHBondContact O-N 3.22Å; D1968-L1971 PolarHBondContact O-N 2.8Å; Q1969-L1971 VanDerWaalsContact C-N 3.32Å; Q1969-L1971 PolarHBondContact O-N 3.02Å; L1971-L1974 PolarHBondContact O-N 3.47Å; L1971-S1975 PolarHBondContact O-N 3.03Å; L1971-Y2037 HydrophobicContact CD1-CE2 4.04Å; L1971-Y2037 VanDerWaalsContact CD1-OH 3.24Å; L1971-Y2037 WeakPolarHBondContact CD1-OH 3.41Å; L1971-V2045 HydrophobicContact CD1-CB 4.35Å; L1971-V2045 HydrophobicContact CD1-CG2 3.36Å; L1971-C2048 HydrophobicContact CB-CB 4.43Å; L1971-C2048 HydrophobicContact CD2-CB 4.41Å |
| 1972 | L | 76.9 | Confident | 76.6 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.8 | -173.9 | 70.7 | 0 | 0 | 0 | 110.8 | L1902 D1968 Q1969 L1974 S1975 V1976 | L1902-L1972 HydrophobicContact CB-CD2 4.27Å; D1968-L1972 WeakPolarHBondContact O-CB 3.48Å; D1968-L1972 PolarHBondContact O-N 3.44Å; Q1969-L1972 PolarHBondContact O-N 3.21Å; L1972-L1974 VanDerWaalsContact C-N 3.29Å; L1972-L1974 PolarHBondContact O-N 3.44Å; L1972-S1975 PolarHBondContact O-N 3.5Å; L1972-S1975 PolarHBondContact O-OG 2.99Å; L1972-V1976 PolarHBondContact O-N 3.21Å; L1972-V1976 VanDerWaalsContact O-N 3.13Å |
| 1973 | R | 84.2 | Confident | 77.5 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 175.2 | -71.1 | -176.3 | -172.1 | 173.2 | 9.4 | 111.6 | V1899 W1949 V1950 V1952 Q1969 M1970 V1976 V1977 | V1899-R1973 HydrophobicContact CG1-CG 4.18Å; W1949-R1973 HydrophobicContact CE3-CB 4.29Å; W1949-R1973 HydrophobicContact CE3-CG 4.46Å; W1949-R1973 HydrophobicContact CH2-CB 3.87Å; W1949-R1973 HydrophobicContact CH2-CG 3.48Å; W1949-R1973 VanDerWaalsContact CH2-CG 3.48Å; W1949-R1973 HydrophobicContact CZ2-CG 3.99Å; W1949-R1973 HydrophobicContact CZ3-CB 3.62Å; W1949-R1973 HydrophobicContact CZ3-CG 3.76Å; W1949-R1973 PolarHBondContact O-NH1 3.32Å; W1949-R1973 VanDerWaalsContact O-NH1 3.12Å; V1950-R1973 HydrophobicContact CB-CB 4.45Å; V1950-R1973 HydrophobicContact CG1-CB 4.28Å; V1950-R1973 HydrophobicContact CG2-CB 4.16Å; V1952-R1973 PolarHBondContact O-NH1 2.9Å; Q1969-R1973 VanDerWaalsContact NE2-NH2 3.13Å; Q1969-R1973 VanDerWaalsContact O-CG 3.3Å; Q1969-R1973 WeakPolarHBondContact O-CG 3.39Å; Q1969-R1973 PolarHBondContact O-N 3.5Å; M1970-R1973 PolarHBondContact O-N 3.02Å; R1973-V1976 WeakPolarHBondContact O-CB 3.31Å; R1973-V1976 PolarHBondContact O-N 2.93Å; R1973-V1977 WeakPolarHBondContact O-CG2 3.22Å; R1973-V1977 PolarHBondContact O-N 3.31Å |
| 1974 | L | 82.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 177.7 | -165.8 | 57.9 | 0 | 0 | 0 | 112 | L1947 V1950 M1970 L1971 L1972 V1976 V1977 F1978 Y2005 I2009 F2030 | L1947-L1974 HydrophobicContact CD2-CD1 4.39Å; V1950-L1974 HydrophobicContact CG1-CB 3.97Å; V1950-L1974 HydrophobicContact CG1-CD1 4.25Å; V1950-L1974 HydrophobicContact CG2-CD1 4.22Å; M1970-L1974 WeakPolarHBondContact O-CB 3.28Å; M1970-L1974 PolarHBondContact O-N 3.18Å; L1971-L1974 PolarHBondContact O-N 3.47Å; L1972-L1974 VanDerWaalsContact C-N 3.29Å; L1972-L1974 PolarHBondContact O-N 3.44Å; L1974-V1976 VanDerWaalsContact C-N 3.32Å; L1974-V1976 PolarHBondContact O-N 3.38Å; L1974-V1977 PolarHBondContact O-N 3.37Å; L1974-F1978 HydrophobicContact CD1-CE2 4.45Å; L1974-F1978 HydrophobicContact CD1-CZ 4.28Å; L1974-F1978 HydrophobicContact CD2-CE2 4.33Å; L1974-F1978 HydrophobicContact CD2-CZ 4.47Å; L1974-F1978 HydrophobicContact CG-CD2 4.36Å; L1974-F1978 HydrophobicContact CG-CE2 3.82Å; L1974-F1978 HydrophobicContact CG-CZ 4.08Å; L1974-F1978 WeakPolarHBondContact O-CD2 3.44Å; L1974-F1978 PolarHBondContact O-N 3.33Å; L1974-Y2005 HydrophobicContact CD1-CD1 4.34Å; L1974-I2009 HydrophobicContact CD2-CD1 3.32Å; L1974-I2009 HydrophobicContact CD2-CG1 4.02Å; L1974-I2009 HydrophobicContact CG-CD1 4.06Å; L1974-F2030 HydrophobicContact CD2-CE1 4.47Å; L1974-F2030 HydrophobicContact CD2-CE2 4.49Å; L1974-F2030 HydrophobicContact CD2-CZ 3.83Å |
| 1975 | S | 82 | Confident | 79.3 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 174.5 | 79.9 | 0 | 0 | 0 | 0 | 112.4 | L1971 L1972 F1978 R1979 | L1971-S1975 PolarHBondContact O-N 3.03Å; L1972-S1975 PolarHBondContact O-N 3.5Å; L1972-S1975 PolarHBondContact O-OG 2.99Å; S1975-F1978 PolarHBondContact O-N 3.32Å; S1975-R1979 WeakPolarHBondContact O-CG 3.24Å; S1975-R1979 PolarHBondContact O-N 3.2Å; S1975-R1979 VanDerWaalsContact O-N 3.1Å |
| 1976 | V | 82.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 173.6 | 164.1 | 0 | 0 | 0 | 0 | 110.4 | L1895 Y1923 L1972 R1973 L1974 R1979 I1980 | L1895-V1976 HydrophobicContact CD2-CG1 3.92Å; Y1923-V1976 HydrophobicContact CE1-CB 4.39Å; Y1923-V1976 HydrophobicContact CE1-CG1 4.03Å; Y1923-V1976 HydrophobicContact CE1-CG2 4.35Å; L1972-V1976 PolarHBondContact O-N 3.21Å; L1972-V1976 VanDerWaalsContact O-N 3.13Å; R1973-V1976 WeakPolarHBondContact O-CB 3.31Å; R1973-V1976 PolarHBondContact O-N 2.93Å; L1974-V1976 VanDerWaalsContact C-N 3.32Å; L1974-V1976 PolarHBondContact O-N 3.38Å; V1976-R1979 PolarHBondContact O-N 3.02Å; V1976-I1980 HydrophobicContact CG1-CD1 3.81Å; V1976-I1980 WeakPolarHBondContact O-CD1 3.49Å; V1976-I1980 VanDerWaalsContact O-CG1 3.28Å; V1976-I1980 WeakPolarHBondContact O-CG1 3.45Å; V1976-I1980 PolarHBondContact O-N 3.45Å |
| 1977 | V | 84.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L1946 L1947 W1949 V1950 R1973 L1974 R1979 I1980 I1981 | L1946-V1977 HydrophobicContact CB-CG2 4.36Å; L1947-V1977 HydrophobicContact CD2-CG1 4.14Å; W1949-V1977 HydrophobicContact CZ3-CG2 4.43Å; V1950-V1977 HydrophobicContact CG2-CG2 3.78Å; R1973-V1977 WeakPolarHBondContact O-CG2 3.22Å; R1973-V1977 PolarHBondContact O-N 3.31Å; L1974-V1977 PolarHBondContact O-N 3.37Å; V1977-R1979 PolarHBondContact O-N 3.03Å; V1977-I1980 WeakPolarHBondContact O-CB 3.41Å; V1977-I1980 PolarHBondContact O-N 3.15Å; V1977-I1981 HydrophobicContact CG1-CD1 3.77Å; V1977-I1981 HydrophobicContact CG1-CG1 4.34Å; V1977-I1981 VanDerWaalsContact O-CG1 3.32Å; V1977-I1981 WeakPolarHBondContact O-CG1 3.43Å; V1977-I1981 PolarHBondContact O-N 3.17Å |
| 1978 | F | 85.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.6 | -72.1 | -42.7 | 0 | 0 | 0 | 113.4 | L1974 S1975 I1980 I1981 E1982 L2002 I2006 I2009 A2051 C2055 | L1974-F1978 HydrophobicContact CD1-CE2 4.45Å; L1974-F1978 HydrophobicContact CD1-CZ 4.28Å; L1974-F1978 HydrophobicContact CD2-CE2 4.33Å; L1974-F1978 HydrophobicContact CD2-CZ 4.47Å; L1974-F1978 HydrophobicContact CG-CD2 4.36Å; L1974-F1978 HydrophobicContact CG-CE2 3.82Å; L1974-F1978 HydrophobicContact CG-CZ 4.08Å; L1974-F1978 WeakPolarHBondContact O-CD2 3.44Å; L1974-F1978 PolarHBondContact O-N 3.33Å; S1975-F1978 PolarHBondContact O-N 3.32Å; F1978-I1980 VanDerWaalsContact C-N 3.3Å; F1978-I1980 PolarHBondContact O-N 2.87Å; F1978-I1981 PolarHBondContact O-N 3.32Å; F1978-E1982 WeakPolarHBondContact O-CB 3.37Å; F1978-E1982 PolarHBondContact O-N 3.14Å; F1978-L2002 HydrophobicContact CD1-CD1 4.04Å; F1978-L2002 HydrophobicContact CE1-CD1 3.81Å; F1978-I2006 HydrophobicContact CE1-CG1 4.05Å; F1978-I2006 HydrophobicContact CZ-CG1 4.15Å; F1978-I2009 HydrophobicContact CE2-CD1 3.21Å; F1978-I2009 HydrophobicContact CZ-CD1 3.36Å; F1978-A2051 HydrophobicContact CB-CB 4.04Å; F1978-A2051 HydrophobicContact CD2-CB 4.46Å; F1978-C2055 HydrophobicContact CB-CB 4.17Å; F1978-C2055 HydrophobicContact CD1-CB 4.4Å; F1978-C2055 HydrophobicContact CG-CB 4.48Å |
| 1979 | R | 84.5 | Confident | 80.5 | Confident | 59 Ų | 59 | 24.9 Ų | 24.9 | 22% | 0.223 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.7 | -34.5 | 175 | -71.8 | -59 | -171.3 | 175.5 | -10.3 | 112.4 | Y1923 S1975 V1976 V1977 E1982 R1983 A2051 S2054 | Y1923-R1979 HydrophobicContact CD1-CB 4.17Å; Y1923-R1979 HydrophobicContact CD2-CB 3.93Å; Y1923-R1979 HydrophobicContact CE1-CB 4Å; Y1923-R1979 HydrophobicContact CE2-CB 3.74Å; Y1923-R1979 HydrophobicContact CE2-CG 4.04Å; Y1923-R1979 HydrophobicContact CG-CB 4.14Å; S1975-R1979 WeakPolarHBondContact O-CG 3.24Å; S1975-R1979 PolarHBondContact O-N 3.2Å; S1975-R1979 VanDerWaalsContact O-N 3.1Å; V1976-R1979 PolarHBondContact O-N 3.02Å; V1977-R1979 PolarHBondContact O-N 3.03Å; R1979-E1982 WeakPolarHBondContact CD-OE2 3.32Å; R1979-E1982 IonicContact CZ-OE2 2.8Å; R1979-E1982 IonicContact NE-OE2 3.05Å; R1979-E1982 IonicContact NH1-OE1 3.92Å; R1979-E1982 PolarHBondContact NH1-OE1 2.6Å; R1979-E1982 IonicContact NH1-OE2 2.75Å; R1979-E1982 PolarHBondContact NH1-OE2 2.81Å; R1979-R1983 WeakPolarHBondContact O-CB 3.39Å; R1979-R1983 PolarHBondContact O-N 2.76Å; R1979-R1983 VanDerWaalsContact O-N 3.12Å; R1979-A2051 HydrophobicContact CG-CB 4.15Å; R1979-S2054 PolarHBondContact NH1-OG 3.28Å; R1979-S2054 PolarHBondContact NH2-OG 2.81Å |
| 1980 | I | 84.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 172.4 | -67.5 | 163 | 0 | 0 | 0 | 110.1 | L1895 Y1923 V1926 V1976 V1977 F1978 R1983 I1984 | L1895-I1980 HydrophobicContact CD2-CD1 3.79Å; Y1923-I1980 HydrophobicContact CD1-CG1 3.82Å; V1926-I1980 HydrophobicContact CB-CD1 4.39Å; V1926-I1980 HydrophobicContact CB-CG2 4.34Å; V1926-I1980 HydrophobicContact CG1-CD1 4.15Å; V1926-I1980 HydrophobicContact CG1-CG2 3.82Å; V1976-I1980 HydrophobicContact CG1-CD1 3.81Å; V1976-I1980 WeakPolarHBondContact O-CD1 3.49Å; V1976-I1980 VanDerWaalsContact O-CG1 3.28Å; V1976-I1980 WeakPolarHBondContact O-CG1 3.45Å; V1976-I1980 PolarHBondContact O-N 3.45Å; V1977-I1980 WeakPolarHBondContact O-CB 3.41Å; V1977-I1980 PolarHBondContact O-N 3.15Å; F1978-I1980 VanDerWaalsContact C-N 3.3Å; F1978-I1980 PolarHBondContact O-N 2.87Å; I1980-R1983 CarbonylContact O-C 3.55Å; I1980-R1983 PolarHBondContact O-N 2.9Å; I1980-R1983 VanDerWaalsContact O-N 3.14Å; I1980-I1984 HydrophobicContact CG2-CD1 3.86Å; I1980-I1984 HydrophobicContact CG2-CG1 4.35Å; I1980-I1984 VanDerWaalsContact O-CG1 3.29Å; I1980-I1984 WeakPolarHBondContact O-CG1 3.49Å; I1980-I1984 PolarHBondContact O-N 2.9Å |
| 1981 | I | 83.2 | Confident | 80.4 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 179.1 | -65.6 | 168.8 | 0 | 0 | 0 | 111.4 | V1977 F1978 R1983 I1984 S1985 F1993 M2000 L2002 | V1977-I1981 HydrophobicContact CG1-CD1 3.77Å; V1977-I1981 HydrophobicContact CG1-CG1 4.34Å; V1977-I1981 VanDerWaalsContact O-CG1 3.32Å; V1977-I1981 WeakPolarHBondContact O-CG1 3.43Å; V1977-I1981 PolarHBondContact O-N 3.17Å; F1978-I1981 PolarHBondContact O-N 3.32Å; I1981-R1983 PolarHBondContact O-N 3.42Å; I1981-I1984 PolarHBondContact O-N 3.18Å; I1981-S1985 PolarHBondContact O-N 3.48Å; I1981-F1993 HydrophobicContact CG2-CE2 4.04Å; I1981-F1993 HydrophobicContact CG2-CZ 4.31Å; I1981-M2000 HydrophobicContact CD1-CE 3.57Å; I1981-M2000 HydrophobicContact CD1-SD 4.44Å; I1981-M2000 HydrophobicContact CG1-CE 4.3Å; I1981-L2002 HydrophobicContact CD1-CD1 3.92Å; I1981-L2002 HydrophobicContact CG2-CD1 4.4Å; I1981-L2002 HydrophobicContact CG2-CD2 3.98Å |
| 1982 | E | 83.5 | Confident | 80.6 | Confident | 35 Ų | 35 | 33.6 Ų | 33.6 | 16% | 0.164 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53 | -45.1 | 172.4 | -175.8 | -167.4 | 164.6 | 0 | 0 | 110.4 | F1978 R1979 S1985 S2054 K2058 | F1978-E1982 WeakPolarHBondContact O-CB 3.37Å; F1978-E1982 PolarHBondContact O-N 3.14Å; R1979-E1982 WeakPolarHBondContact CD-OE2 3.32Å; R1979-E1982 IonicContact CZ-OE2 2.8Å; R1979-E1982 IonicContact NE-OE2 3.05Å; R1979-E1982 IonicContact NH1-OE1 3.92Å; R1979-E1982 PolarHBondContact NH1-OE1 2.6Å; R1979-E1982 IonicContact NH1-OE2 2.75Å; R1979-E1982 PolarHBondContact NH1-OE2 2.81Å; E1982-S1985 WeakPolarHBondContact O-CB 3.36Å; E1982-S1985 PolarHBondContact O-N 3.1Å; E1982-S1985 PolarHBondContact O-OG 3.12Å; E1982-S2054 WeakPolarHBondContact OE2-CB 3.42Å; E1982-K2058 HydrophobicContact CG-CG 3.88Å |
| 1983 | R | 83 | Confident | 80.8 | Confident | 106 Ų | 106 | 32.9 Ų | 32.9 | 40% | 0.4 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -76.6 | -27.6 | -179.4 | -154 | 67.7 | 179.2 | 165.8 | -8.4 | 114.1 | A1927 R1979 I1980 I1981 S1985 D1986 Y1987 | A1927-R1983 HydrophobicContact CB-CB 3.94Å; A1927-R1983 HydrophobicContact CB-CG 4.13Å; R1979-R1983 WeakPolarHBondContact O-CB 3.39Å; R1979-R1983 PolarHBondContact O-N 2.76Å; R1979-R1983 VanDerWaalsContact O-N 3.12Å; I1980-R1983 CarbonylContact O-C 3.55Å; I1980-R1983 PolarHBondContact O-N 2.9Å; I1980-R1983 VanDerWaalsContact O-N 3.14Å; I1981-R1983 PolarHBondContact O-N 3.42Å; R1983-S1985 PolarHBondContact O-N 3.38Å; R1983-D1986 WeakPolarHBondContact CD-OD2 3.32Å; R1983-D1986 IonicContact CZ-OD2 2.66Å; R1983-D1986 IonicContact NE-OD2 2.68Å; R1983-D1986 IonicContact NH1-OD2 3.61Å; R1983-D1986 PolarHBondContact NH1-OD2 3.05Å; R1983-D1986 WeakPolarHBondContact O-CB 3.33Å; R1983-D1986 PolarHBondContact O-N 3.49Å; R1983-D1986 VanDerWaalsContact O-N 3.17Å; R1983-Y1987 HydrophobicContact CG-CE2 4.04Å; R1983-Y1987 WeakPolarHBondContact O-CD2 3.44Å |
| 1984 | I | 82.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -35 | 173.3 | -75.1 | 167.7 | 0 | 0 | 0 | 110.6 | A1927 I1930 I1980 I1981 D1986 Y1987 L1988 F1993 | A1927-I1984 HydrophobicContact CB-CG1 3.81Å; I1930-I1984 HydrophobicContact CB-CD1 4.42Å; I1930-I1984 HydrophobicContact CD1-CD1 4.04Å; I1930-I1984 HydrophobicContact CG2-CD1 4.14Å; I1980-I1984 HydrophobicContact CG2-CD1 3.86Å; I1980-I1984 HydrophobicContact CG2-CG1 4.35Å; I1980-I1984 VanDerWaalsContact O-CG1 3.29Å; I1980-I1984 WeakPolarHBondContact O-CG1 3.49Å; I1980-I1984 PolarHBondContact O-N 2.9Å; I1981-I1984 PolarHBondContact O-N 3.18Å; I1984-D1986 PolarHBondContact O-N 3.43Å; I1984-D1986 VanDerWaalsContact O-N 3.15Å; I1984-Y1987 PolarHBondContact O-N 3.26Å; I1984-L1988 HydrophobicContact CG2-CD1 3.35Å; I1984-L1988 HydrophobicContact CG2-CG 3.81Å; I1984-L1988 PolarHBondContact O-N 3.41Å; I1984-F1993 HydrophobicContact CG2-CD2 4.36Å |
| 1985 | S | 80 | Confident | 80.5 | Confident | 24 Ų | 24 | 37 Ų | 37 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.9 | 177 | 77.5 | 0 | 0 | 0 | 0 | 114 | I1981 E1982 R1983 Y1987 | I1981-S1985 PolarHBondContact O-N 3.48Å; E1982-S1985 WeakPolarHBondContact O-CB 3.36Å; E1982-S1985 PolarHBondContact O-N 3.1Å; E1982-S1985 PolarHBondContact O-OG 3.12Å; R1983-S1985 PolarHBondContact O-N 3.38Å; S1985-Y1987 VanDerWaalsContact C-N 3.34Å |
| 1986 | D | 77.8 | Confident | 80.4 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 36% | 0.358 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13.3 | 178.5 | -62.2 | -29.6 | 0 | 0 | 0 | 112.6 | R1983 I1984 K2058 | R1983-D1986 WeakPolarHBondContact CD-OD2 3.32Å; R1983-D1986 IonicContact CZ-OD2 2.66Å; R1983-D1986 IonicContact NE-OD2 2.68Å; R1983-D1986 IonicContact NH1-OD2 3.61Å; R1983-D1986 PolarHBondContact NH1-OD2 3.05Å; R1983-D1986 WeakPolarHBondContact O-CB 3.33Å; R1983-D1986 PolarHBondContact O-N 3.49Å; R1983-D1986 VanDerWaalsContact O-N 3.17Å; I1984-D1986 PolarHBondContact O-N 3.43Å; I1984-D1986 VanDerWaalsContact O-N 3.15Å; D1986-K2058 IonicContact OD1-NZ 2.67Å; D1986-K2058 PolarHBondContact OD1-NZ 3.04Å |
| 1987 | Y | 75.4 | Confident | 80.3 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -7.6 | -175.3 | -58.5 | -72.1 | 0 | 0 | 0 | 114.4 | E1854 R1924 A1927 R1983 I1984 S1985 | E1854-Y1987 HydrophobicContact CG-CE1 4.04Å; E1854-Y1987 PolarHBondContact OE1-OH 2.76Å; R1924-Y1987 WeakPolarHBondContact CG-OH 3.5Å; A1927-Y1987 HydrophobicContact CB-CD2 3.98Å; A1927-Y1987 HydrophobicContact CB-CE2 3.92Å; R1983-Y1987 HydrophobicContact CG-CE2 4.04Å; R1983-Y1987 WeakPolarHBondContact O-CD2 3.44Å; I1984-Y1987 PolarHBondContact O-N 3.26Å; S1985-Y1987 VanDerWaalsContact C-N 3.34Å |
| 1988 | L | 75.6 | Confident | 80 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -110.1 | 151.5 | 179.4 | -69.3 | -172.3 | 0 | 0 | 0 | 111.4 | I1984 F1993 | I1984-L1988 HydrophobicContact CG2-CD1 3.35Å; I1984-L1988 HydrophobicContact CG2-CG 3.81Å; I1984-L1988 PolarHBondContact O-N 3.41Å; L1988-F1993 HydrophobicContact CB-CB 4.32Å |
| 1989 | N | 75.4 | Confident | 79.8 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 34% | 0.342 | 21% | 0.208 | S | C | . | . | trans | -62.8 | 146.9 | 171.1 | -68.7 | 0.2 | 0 | 0 | 0 | 110 | E1991 E1992 F1993 | N1989-E1991 PolarHBondContact O-N 3.37Å; N1989-E1992 HydrophobicContact CB-CG 4.25Å; N1989-E1992 PolarHBondContact O-N 3.44Å; N1989-E1992 VanDerWaalsContact O-N 3.15Å; N1989-F1993 PolarHBondContact O-N 3.17Å | ||
| 1990 | T | 73.9 | Confident | 79.6 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 37% | 0.368 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.8 | -36.3 | -174.5 | 46.4 | 0 | 0 | 0 | 0 | 113 | S1994 K2065 | T1990-S1994 WeakPolarHBondContact O-CB 3.35Å; T1990-S1994 PolarHBondContact O-N 3.02Å; T1990-S1994 VanDerWaalsContact O-N 3.07Å; T1990-K2065 HydrophobicContact CG2-CB 4.14Å; T1990-K2065 HydrophobicContact CG2-CD 3.98Å |
| 1991 | E | 75.5 | Confident | 79.6 | Confident | 138 Ų | 138 | 48 Ų | 48 | 65% | 0.645 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.1 | -49.1 | 176.6 | -64.4 | -178.2 | 179 | 0 | 0 | 112 | N1989 F1993 S1994 E1995 | N1989-E1991 PolarHBondContact O-N 3.37Å; E1991-F1993 VanDerWaalsContact C-N 3.34Å; E1991-F1993 PolarHBondContact O-N 2.9Å; E1991-S1994 PolarHBondContact O-N 2.83Å; E1991-E1995 PolarHBondContact O-N 2.97Å |
| 1992 | E | 80.2 | Confident | 79.6 | Confident | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.3 | -39.8 | -179.6 | -62.3 | -175.5 | 156 | 0 | 0 | 111.7 | R1939 N1989 E1995 L1996 | R1939-E1992 IonicContact CZ-OE1 3.99Å; R1939-E1992 IonicContact CZ-OE2 3.28Å; R1939-E1992 IonicContact NH1-OE1 3.5Å; R1939-E1992 IonicContact NH1-OE2 3.81Å; R1939-E1992 PolarHBondContact NH1-OE2 2.67Å; R1939-E1992 IonicContact NH2-OE1 3.8Å; R1939-E1992 PolarHBondContact NH2-OE1 3.21Å; R1939-E1992 IonicContact NH2-OE2 3.1Å; R1939-E1992 PolarHBondContact NH2-OE2 2.74Å; R1939-E1992 VanDerWaalsContact NH2-OE2 3.16Å; N1989-E1992 HydrophobicContact CB-CG 4.25Å; N1989-E1992 PolarHBondContact O-N 3.44Å; N1989-E1992 VanDerWaalsContact O-N 3.15Å; E1992-E1995 PolarHBondContact O-N 3.13Å; E1992-L1996 WeakPolarHBondContact O-CB 3.23Å; E1992-L1996 PolarHBondContact O-N 2.87Å |
| 1993 | F | 82.4 | Confident | 79.5 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.7 | 180 | -108 | 0 | 0 | 0 | 111.8 | I1981 I1984 L1988 N1989 E1991 L1996 S1997 | I1981-F1993 HydrophobicContact CG2-CE2 4.04Å; I1981-F1993 HydrophobicContact CG2-CZ 4.31Å; I1984-F1993 HydrophobicContact CG2-CD2 4.36Å; L1988-F1993 HydrophobicContact CB-CB 4.32Å; N1989-F1993 PolarHBondContact O-N 3.17Å; E1991-F1993 VanDerWaalsContact C-N 3.34Å; E1991-F1993 PolarHBondContact O-N 2.9Å; F1993-L1996 PolarHBondContact O-N 2.9Å; F1993-S1997 VanDerWaalsContact O-CB 3.32Å; F1993-S1997 WeakPolarHBondContact O-CB 3.38Å; F1993-S1997 PolarHBondContact O-N 3.13Å; F1993-S1997 PolarHBondContact O-OG 3.44Å |
| 1994 | S | 78.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -48.4 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | T1990 E1991 S1997 K1998 E2063 N2066 | T1990-S1994 WeakPolarHBondContact O-CB 3.35Å; T1990-S1994 PolarHBondContact O-N 3.02Å; T1990-S1994 VanDerWaalsContact O-N 3.07Å; E1991-S1994 PolarHBondContact O-N 2.83Å; S1994-S1997 PolarHBondContact O-N 3.4Å; S1994-S1997 PolarHBondContact O-OG 2.72Å; S1994-K1998 WeakPolarHBondContact O-CG 3.32Å; S1994-K1998 PolarHBondContact O-N 2.89Å; S1994-K1998 VanDerWaalsContact O-N 3.1Å; S1994-K1998 PolarHBondContact OG-NZ 2.85Å; S1994-E2063 WeakPolarHBondContact CB-OE2 3.4Å; S1994-E2063 VanDerWaalsContact OG-CD 3.3Å; S1994-E2063 PolarHBondContact OG-OE1 2.97Å; S1994-E2063 PolarHBondContact OG-OE2 3.35Å; S1994-N2066 VanDerWaalsContact CB-ND2 3.31Å; S1994-N2066 WeakPolarHBondContact CB-ND2 3.31Å; S1994-N2066 PolarHBondContact OG-ND2 2.98Å; S1994-N2066 VanDerWaalsContact OG-ND2 3.09Å |
| 1995 | E | 80.2 | Confident | 79.5 | Confident | 97 Ų | 97 | 43.6 Ų | 43.6 | 45% | 0.453 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.7 | -44 | 179.4 | -174.7 | 57.8 | -157.6 | 0 | 0 | 112.3 | E1991 E1992 S1997 K1998 Q1999 | E1991-E1995 PolarHBondContact O-N 2.97Å; E1992-E1995 PolarHBondContact O-N 3.13Å; E1995-S1997 VanDerWaalsContact C-N 3.3Å; E1995-S1997 PolarHBondContact O-N 2.86Å; E1995-K1998 PolarHBondContact O-N 2.9Å; E1995-Q1999 WeakPolarHBondContact O-CG 3.48Å; E1995-Q1999 PolarHBondContact O-N 3.35Å; E1995-Q1999 PolarHBondContact OE1-NE2 2.95Å |
| 1996 | L | 80.6 | Confident | 79.7 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 176.1 | -174.9 | 137.3 | 0 | 0 | 0 | 111.4 | R1939 E1992 F1993 K1998 Q1999 M2000 | R1939-L1996 HydrophobicContact CB-CD1 4.05Å; E1992-L1996 WeakPolarHBondContact O-CB 3.23Å; E1992-L1996 PolarHBondContact O-N 2.87Å; F1993-L1996 PolarHBondContact O-N 2.9Å; L1996-K1998 PolarHBondContact O-N 3.4Å; L1996-Q1999 PolarHBondContact O-N 3.46Å; L1996-M2000 HydrophobicContact CD2-CG 4.42Å; L1996-M2000 HydrophobicContact CD2-SD 3.45Å; L1996-M2000 WeakPolarHBondContact CD2-SD 3.24Å; L1996-M2000 HydrophobicContact CG-SD 4.18Å; L1996-M2000 WeakPolarHBondContact O-CB 3.36Å; L1996-M2000 VanDerWaalsContact O-CG 3.24Å; L1996-M2000 WeakPolarHBondContact O-CG 3.38Å; L1996-M2000 PolarHBondContact O-N 3.07Å |
| 1997 | S | 80.5 | Confident | 80 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.028 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 177.3 | 77.8 | 0 | 0 | 0 | 0 | 113 | F1993 S1994 E1995 Y2001 L2002 W2059 | F1993-S1997 VanDerWaalsContact O-CB 3.32Å; F1993-S1997 WeakPolarHBondContact O-CB 3.38Å; F1993-S1997 PolarHBondContact O-N 3.13Å; F1993-S1997 PolarHBondContact O-OG 3.44Å; S1994-S1997 PolarHBondContact O-N 3.4Å; S1994-S1997 PolarHBondContact O-OG 2.72Å; E1995-S1997 VanDerWaalsContact C-N 3.3Å; E1995-S1997 PolarHBondContact O-N 2.86Å; S1997-Y2001 PolarHBondContact O-N 2.98Å; S1997-L2002 WeakPolarHBondContact O-CB 3.32Å; S1997-L2002 PolarHBondContact O-N 3.15Å; S1997-L2002 VanDerWaalsContact O-N 3.12Å; S1997-W2059 VanDerWaalsContact OG-CD1 3.29Å; S1997-W2059 PolarHBondContact OG-NE1 3.12Å |
| 1998 | K | 78.5 | Confident | 80.2 | Confident | 66 Ų | 66 | 38 Ų | 38 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 176.1 | -73.2 | 170.9 | -177 | 165.4 | 0 | 110.9 | S1994 E1995 L1996 M2000 Y2001 E2063 | S1994-K1998 WeakPolarHBondContact O-CG 3.32Å; S1994-K1998 PolarHBondContact O-N 2.89Å; S1994-K1998 VanDerWaalsContact O-N 3.1Å; S1994-K1998 PolarHBondContact OG-NZ 2.85Å; E1995-K1998 PolarHBondContact O-N 2.9Å; L1996-K1998 PolarHBondContact O-N 3.4Å; K1998-M2000 VanDerWaalsContact C-N 3.26Å; K1998-M2000 PolarHBondContact O-N 3.35Å; K1998-Y2001 PolarHBondContact O-N 3.18Å; K1998-Y2001 VanDerWaalsContact O-N 3.08Å; K1998-E2063 WeakPolarHBondContact CE-OE1 3.22Å; K1998-E2063 IonicContact NZ-OE1 3.36Å; K1998-E2063 PolarHBondContact NZ-OE1 2.78Å |
| 1999 | Q | 81.4 | Confident | 80.4 | Confident | 71 Ų | 71 | 37.5 Ų | 37.5 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.7 | -25.1 | -179.3 | -65.5 | 177.7 | 3.6 | 0 | 0 | 113.4 | L1940 E1995 L1996 Y2001 | L1940-Q1999 HydrophobicContact CD1-CB 3.48Å; L1940-Q1999 VanDerWaalsContact CD1-CB 3.48Å; L1940-Q1999 HydrophobicContact CD2-CB 4.39Å; E1995-Q1999 WeakPolarHBondContact O-CG 3.48Å; E1995-Q1999 PolarHBondContact O-N 3.35Å; E1995-Q1999 PolarHBondContact OE1-NE2 2.95Å; L1996-Q1999 PolarHBondContact O-N 3.46Å; Q1999-Y2001 VanDerWaalsContact C-N 3.33Å |
| 2000 | M | 80.5 | Confident | 80.8 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -7.2 | 173.7 | -73.3 | -177.4 | 73.3 | 0 | 0 | 114.1 | L1940 C1943 L1947 I1981 L1996 K1998 L2002 Y2005 | L1940-M2000 HydrophobicContact CD1-CG 4.35Å; C1943-M2000 HydrophobicContact CB-CE 3.72Å; C1943-M2000 HydrophobicContact CB-CG 4.32Å; C1943-M2000 HydrophobicContact CB-SD 3.56Å; C1943-M2000 VanDerWaalsContact CB-SD 3.56Å; L1947-M2000 HydrophobicContact CD1-CB 4.29Å; L1947-M2000 HydrophobicContact CD1-CE 3.5Å; L1947-M2000 HydrophobicContact CD1-CG 4.45Å; L1947-M2000 HydrophobicContact CD2-CE 4.48Å; L1947-M2000 HydrophobicContact CG-CE 3.89Å; I1981-M2000 HydrophobicContact CD1-CE 3.57Å; I1981-M2000 HydrophobicContact CD1-SD 4.44Å; I1981-M2000 HydrophobicContact CG1-CE 4.3Å; L1996-M2000 HydrophobicContact CD2-CG 4.42Å; L1996-M2000 HydrophobicContact CD2-SD 3.45Å; L1996-M2000 WeakPolarHBondContact CD2-SD 3.24Å; L1996-M2000 HydrophobicContact CG-SD 4.18Å; L1996-M2000 WeakPolarHBondContact O-CB 3.36Å; L1996-M2000 VanDerWaalsContact O-CG 3.24Å; L1996-M2000 WeakPolarHBondContact O-CG 3.38Å; L1996-M2000 PolarHBondContact O-N 3.07Å; K1998-M2000 VanDerWaalsContact C-N 3.26Å; K1998-M2000 PolarHBondContact O-N 3.35Å; M2000-L2002 PolarHBondContact O-N 3.39Å; M2000-Y2005 WeakPolarHBondContact O-CE2 3.46Å |
| 2001 | Y | 82.3 | Confident | 80.9 | Confident | 141 Ų | 141 | 32.1 Ų | 32.1 | 55% | 0.553 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 35.1 | -169.4 | -56.2 | -80.9 | 0 | 0 | 0 | 112.4 | S1997 K1998 Q1999 V2003 D2004 Y2005 | S1997-Y2001 PolarHBondContact O-N 2.98Å; K1998-Y2001 PolarHBondContact O-N 3.18Å; K1998-Y2001 VanDerWaalsContact O-N 3.08Å; Q1999-Y2001 VanDerWaalsContact C-N 3.33Å; Y2001-V2003 VanDerWaalsContact C-N 3.29Å; Y2001-V2003 PolarHBondContact O-N 2.99Å; Y2001-D2004 WeakPolarHBondContact CB-OD2 3.38Å; Y2001-D2004 WeakPolarHBondContact CD1-OD2 3.31Å; Y2001-D2004 WeakPolarHBondContact O-CB 3.32Å; Y2001-D2004 PolarHBondContact O-N 3.1Å; Y2001-Y2005 WeakPolarHBondContact O-CD2 3.49Å; Y2001-Y2005 PolarHBondContact O-N 3.46Å |
| 2002 | L | 83.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.2 | -44.7 | -170.2 | 178.6 | 63 | 0 | 0 | 0 | 112.7 | F1978 I1981 S1997 M2000 D2004 Y2005 I2006 | F1978-L2002 HydrophobicContact CD1-CD1 4.04Å; F1978-L2002 HydrophobicContact CE1-CD1 3.81Å; I1981-L2002 HydrophobicContact CD1-CD1 3.92Å; I1981-L2002 HydrophobicContact CG2-CD1 4.4Å; I1981-L2002 HydrophobicContact CG2-CD2 3.98Å; S1997-L2002 WeakPolarHBondContact O-CB 3.32Å; S1997-L2002 PolarHBondContact O-N 3.15Å; S1997-L2002 VanDerWaalsContact O-N 3.12Å; M2000-L2002 PolarHBondContact O-N 3.39Å; L2002-D2004 VanDerWaalsContact C-N 3.28Å; L2002-D2004 PolarHBondContact O-N 2.64Å; L2002-Y2005 WeakPolarHBondContact O-CB 3.45Å; L2002-Y2005 PolarHBondContact O-N 3.27Å; L2002-I2006 HydrophobicContact CD1-CD1 4.33Å; L2002-I2006 HydrophobicContact CG-CD1 4.01Å; L2002-I2006 WeakPolarHBondContact O-CG1 3.48Å; L2002-I2006 PolarHBondContact O-N 3.29Å; L2002-I2006 VanDerWaalsContact O-N 3.11Å |
| 2003 | V | 81 | Confident | 80.4 | Confident | 11 Ų | 11 | 23.1 Ų | 23.1 | 7% | 0.067 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.9 | -37.9 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | Y2001 Y2005 I2006 V2007 W2059 V2079 I2082 | Y2001-V2003 VanDerWaalsContact C-N 3.29Å; Y2001-V2003 PolarHBondContact O-N 2.99Å; V2003-Y2005 VanDerWaalsContact C-N 3.33Å; V2003-Y2005 PolarHBondContact O-N 2.92Å; V2003-I2006 PolarHBondContact O-N 3.21Å; V2003-V2007 HydrophobicContact CG1-CG2 4.13Å; V2003-V2007 WeakPolarHBondContact O-CB 3.45Å; V2003-V2007 VanDerWaalsContact O-CG2 3.3Å; V2003-V2007 WeakPolarHBondContact O-CG2 3.43Å; V2003-V2007 PolarHBondContact O-N 3.07Å; V2003-W2059 HydrophobicContact CG2-CD2 4.09Å; V2003-W2059 HydrophobicContact CG2-CE3 4.16Å; V2003-W2059 HydrophobicContact CG2-CH2 3.61Å; V2003-W2059 HydrophobicContact CG2-CZ2 3.52Å; V2003-W2059 HydrophobicContact CG2-CZ3 3.93Å; V2003-V2079 HydrophobicContact CG1-CG2 4.27Å; V2003-I2082 HydrophobicContact CG1-CD1 3.85Å; V2003-I2082 HydrophobicContact CG1-CG1 4.41Å |
| 2004 | D | 83.4 | Confident | 79.9 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.053 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 178.1 | -63 | -33.5 | 0 | 0 | 0 | 111.8 | Y2001 L2002 L2008 L2024 R2027 L2028 S2078 | Y2001-D2004 WeakPolarHBondContact CB-OD2 3.38Å; Y2001-D2004 WeakPolarHBondContact CD1-OD2 3.31Å; Y2001-D2004 WeakPolarHBondContact O-CB 3.32Å; Y2001-D2004 PolarHBondContact O-N 3.1Å; L2002-D2004 VanDerWaalsContact C-N 3.28Å; L2002-D2004 PolarHBondContact O-N 2.64Å; D2004-L2008 WeakPolarHBondContact O-CB 3.5Å; D2004-L2008 PolarHBondContact O-N 2.89Å; D2004-L2024 HydrophobicContact CB-CD1 4.09Å; D2004-R2027 IonicContact OD1-NH2 3.95Å; D2004-R2027 PolarHBondContact OD1-NH2 3.2Å; D2004-R2027 IonicContact OD2-CZ 3.23Å; D2004-R2027 IonicContact OD2-NE 2.77Å; D2004-R2027 IonicContact OD2-NH2 2.9Å; D2004-R2027 PolarHBondContact OD2-NH2 3.37Å; D2004-L2028 HydrophobicContact CB-CD1 3.87Å; D2004-L2028 HydrophobicContact CB-CD2 4.2Å; D2004-L2028 HydrophobicContact CB-CG 4.48Å; D2004-L2028 WeakPolarHBondContact O-CD1 3.26Å; D2004-S2078 WeakPolarHBondContact OD1-CB 3.47Å; D2004-S2078 PolarHBondContact OD1-OG 3.06Å |
| 2005 | Y | 83.7 | Confident | 79.3 | Confident | 27 Ų | 27 | 25.9 Ų | 25.9 | 11% | 0.106 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 175.1 | -77.7 | -89.2 | 0 | 0 | 0 | 111.2 | L1947 L1974 M2000 Y2001 L2002 V2003 L2008 I2009 L2028 F2030 | L1947-Y2005 HydrophobicContact CD1-CE2 3.96Å; L1947-Y2005 HydrophobicContact CD2-CE1 4.1Å; L1947-Y2005 HydrophobicContact CD2-CE2 4.2Å; L1974-Y2005 HydrophobicContact CD1-CD1 4.34Å; M2000-Y2005 WeakPolarHBondContact O-CE2 3.46Å; Y2001-Y2005 WeakPolarHBondContact O-CD2 3.49Å; Y2001-Y2005 PolarHBondContact O-N 3.46Å; L2002-Y2005 WeakPolarHBondContact O-CB 3.45Å; L2002-Y2005 PolarHBondContact O-N 3.27Å; V2003-Y2005 VanDerWaalsContact C-N 3.33Å; V2003-Y2005 PolarHBondContact O-N 2.92Å; Y2005-L2008 PolarHBondContact O-N 3.08Å; Y2005-I2009 VanDerWaalsContact O-CD1 3.28Å; Y2005-I2009 WeakPolarHBondContact O-CD1 3.47Å; Y2005-I2009 WeakPolarHBondContact O-CG1 3.32Å; Y2005-I2009 PolarHBondContact O-N 3.25Å; Y2005-L2028 HydrophobicContact CD1-CD1 4.38Å; Y2005-L2028 HydrophobicContact CD2-CD2 4.03Å; Y2005-L2028 HydrophobicContact CE1-CB 4.41Å; Y2005-L2028 HydrophobicContact CE1-CD2 4.37Å; Y2005-L2028 HydrophobicContact CE2-CD2 3.68Å; Y2005-L2028 HydrophobicContact CG-CD1 4.27Å; Y2005-L2028 HydrophobicContact CG-CD2 4.48Å; Y2005-F2030 AromaticContact CD1-CE2 3.75Å; Y2005-F2030 HydrophobicContact CD1-CE2 3.75Å; Y2005-F2030 AromaticContact CE1-CE2 3.61Å; Y2005-F2030 HydrophobicContact CE1-CE2 3.61Å; Y2005-F2030 HydrophobicContact CE1-CZ 4.41Å |
| 2006 | I | 84.1 | Confident | 78.4 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -50.6 | 179.4 | -65.6 | 168.1 | 0 | 0 | 0 | 110.4 | F1978 L2002 V2003 L2008 I2009 F2010 L2056 | F1978-I2006 HydrophobicContact CE1-CG1 4.05Å; F1978-I2006 HydrophobicContact CZ-CG1 4.15Å; L2002-I2006 HydrophobicContact CD1-CD1 4.33Å; L2002-I2006 HydrophobicContact CG-CD1 4.01Å; L2002-I2006 WeakPolarHBondContact O-CG1 3.48Å; L2002-I2006 PolarHBondContact O-N 3.29Å; L2002-I2006 VanDerWaalsContact O-N 3.11Å; V2003-I2006 PolarHBondContact O-N 3.21Å; I2006-L2008 VanDerWaalsContact C-N 3.33Å; I2006-L2008 PolarHBondContact O-N 3.4Å; I2006-I2009 PolarHBondContact O-N 2.61Å; I2006-F2010 HydrophobicContact CG2-CD2 3.98Å; I2006-F2010 HydrophobicContact CG2-CE1 4.35Å; I2006-F2010 HydrophobicContact CG2-CE2 3.46Å; I2006-F2010 VanDerWaalsContact CG2-CE2 3.46Å; I2006-F2010 HydrophobicContact CG2-CZ 3.67Å; I2006-F2010 WeakPolarHBondContact O-CG 3.32Å; I2006-F2010 PolarHBondContact O-N 3.42Å; I2006-L2056 HydrophobicContact CD1-CB 4.17Å; I2006-L2056 HydrophobicContact CD1-CD1 4.33Å; I2006-L2056 HydrophobicContact CG2-CB 4.34Å; I2006-L2056 HydrophobicContact CG2-CD2 4.22Å |
| 2007 | V | 82.7 | Confident | 77.5 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 178.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | V2003 I2009 F2010 I2011 L2024 I2082 | V2003-V2007 HydrophobicContact CG1-CG2 4.13Å; V2003-V2007 WeakPolarHBondContact O-CB 3.45Å; V2003-V2007 VanDerWaalsContact O-CG2 3.3Å; V2003-V2007 WeakPolarHBondContact O-CG2 3.43Å; V2003-V2007 PolarHBondContact O-N 3.07Å; V2007-I2009 VanDerWaalsContact C-N 3.34Å; V2007-I2009 PolarHBondContact O-N 3.31Å; V2007-F2010 PolarHBondContact O-N 3.12Å; V2007-I2011 HydrophobicContact CG1-CD1 3.75Å; V2007-I2011 HydrophobicContact CG1-CG1 4.38Å; V2007-I2011 WeakPolarHBondContact O-CB 3.45Å; V2007-I2011 WeakPolarHBondContact O-CG1 3.38Å; V2007-I2011 PolarHBondContact O-N 2.91Å; V2007-L2024 HydrophobicContact CG1-CD2 4.3Å; V2007-I2082 HydrophobicContact CG2-CG1 3.75Å |
| 2008 | L | 80.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.6 | 178.5 | 66.3 | 0 | 0 | 0 | 112.3 | D2004 Y2005 I2006 I2011 I2012 L2024 L2028 F2030 | D2004-L2008 WeakPolarHBondContact O-CB 3.5Å; D2004-L2008 PolarHBondContact O-N 2.89Å; Y2005-L2008 PolarHBondContact O-N 3.08Å; I2006-L2008 VanDerWaalsContact C-N 3.33Å; I2006-L2008 PolarHBondContact O-N 3.4Å; L2008-I2011 WeakPolarHBondContact O-CB 3.45Å; L2008-I2011 PolarHBondContact O-N 2.72Å; L2008-I2012 HydrophobicContact CD1-CD1 4.28Å; L2008-I2012 HydrophobicContact CD1-CG1 4.41Å; L2008-I2012 HydrophobicContact CD2-CD1 4.39Å; L2008-I2012 HydrophobicContact CG-CD1 3.91Å; L2008-I2012 HydrophobicContact CG-CG1 4.44Å; L2008-I2012 VanDerWaalsContact O-CG1 3.26Å; L2008-I2012 WeakPolarHBondContact O-CG1 3.28Å; L2008-I2012 PolarHBondContact O-N 2.96Å; L2008-L2024 HydrophobicContact CB-CD2 3.76Å; L2008-L2024 HydrophobicContact CD1-CD2 4.22Å; L2008-L2028 HydrophobicContact CB-CD1 4.01Å; L2008-L2028 HydrophobicContact CD2-CB 4.11Å; L2008-L2028 HydrophobicContact CD2-CD1 3.68Å; L2008-L2028 HydrophobicContact CG-CD1 4.46Å; L2008-F2030 HydrophobicContact CD2-CB 3.62Å; L2008-F2030 HydrophobicContact CD2-CD2 3.44Å; L2008-F2030 VanDerWaalsContact CD2-CD2 3.44Å; L2008-F2030 HydrophobicContact CD2-CE2 4.35Å; L2008-F2030 HydrophobicContact CD2-CG 3.8Å |
| 2009 | I | 80.2 | Confident | 75.9 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.1 | -42.8 | -178.3 | -69.1 | 161.4 | 0 | 0 | 0 | 110.8 | L1974 F1978 Y2005 I2006 V2007 I2011 I2012 A2013 I2049 | L1974-I2009 HydrophobicContact CD2-CD1 3.32Å; L1974-I2009 HydrophobicContact CD2-CG1 4.02Å; L1974-I2009 HydrophobicContact CG-CD1 4.06Å; F1978-I2009 HydrophobicContact CE2-CD1 3.21Å; F1978-I2009 HydrophobicContact CZ-CD1 3.36Å; Y2005-I2009 VanDerWaalsContact O-CD1 3.28Å; Y2005-I2009 WeakPolarHBondContact O-CD1 3.47Å; Y2005-I2009 WeakPolarHBondContact O-CG1 3.32Å; Y2005-I2009 PolarHBondContact O-N 3.25Å; I2006-I2009 PolarHBondContact O-N 2.61Å; V2007-I2009 VanDerWaalsContact C-N 3.34Å; V2007-I2009 PolarHBondContact O-N 3.31Å; I2009-I2011 VanDerWaalsContact C-N 3.28Å; I2009-I2011 PolarHBondContact O-N 3.36Å; I2009-I2012 WeakPolarHBondContact O-CB 3.02Å; I2009-I2012 PolarHBondContact O-N 3.45Å; I2009-A2013 WeakPolarHBondContact O-CB 3.48Å; I2009-A2013 PolarHBondContact O-N 3.44Å; I2009-I2049 HydrophobicContact CG2-CG1 4.38Å |
| 2010 | F | 82.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 174.4 | -59.9 | -23.5 | 0 | 0 | 0 | 111.1 | I2006 V2007 A2013 V2014 I2049 S2052 L2053 L2056 V2085 L2086 L2089 | I2006-F2010 HydrophobicContact CG2-CD2 3.98Å; I2006-F2010 HydrophobicContact CG2-CE1 4.35Å; I2006-F2010 HydrophobicContact CG2-CE2 3.46Å; I2006-F2010 VanDerWaalsContact CG2-CE2 3.46Å; I2006-F2010 HydrophobicContact CG2-CZ 3.67Å; I2006-F2010 WeakPolarHBondContact O-CG 3.32Å; I2006-F2010 PolarHBondContact O-N 3.42Å; V2007-F2010 PolarHBondContact O-N 3.12Å; F2010-A2013 WeakPolarHBondContact O-CB 3.41Å; F2010-A2013 PolarHBondContact O-N 3.18Å; F2010-V2014 VanDerWaalsContact O-CG2 3.28Å; F2010-V2014 WeakPolarHBondContact O-CG2 3.49Å; F2010-V2014 PolarHBondContact O-N 2.97Å; F2010-I2049 HydrophobicContact CD1-CG1 4.46Å; F2010-I2049 HydrophobicContact CD1-CG2 4.37Å; F2010-I2049 HydrophobicContact CE1-CG2 4.02Å; F2010-S2052 WeakPolarHBondContact CE1-OG 3.1Å; F2010-L2053 HydrophobicContact CE1-CD2 4.2Å; F2010-L2053 HydrophobicContact CE1-CG 4.12Å; F2010-L2053 HydrophobicContact CE2-CD2 4.35Å; F2010-L2053 HydrophobicContact CZ-CD2 3.6Å; F2010-L2053 HydrophobicContact CZ-CG 3.92Å; F2010-L2056 HydrophobicContact CE2-CD2 3.9Å; F2010-L2056 HydrophobicContact CZ-CD2 4.38Å; F2010-V2085 VanDerWaalsContact C-CG1 3.46Å; F2010-V2085 HydrophobicContact CB-CB 4.4Å; F2010-V2085 HydrophobicContact CB-CG1 3.19Å; F2010-V2085 HydrophobicContact CD2-CG1 4.45Å; F2010-V2085 HydrophobicContact CG-CG1 4.34Å; F2010-L2086 HydrophobicContact CE2-CD1 4.18Å; F2010-L2089 HydrophobicContact CB-CD2 3.96Å; F2010-L2089 HydrophobicContact CB-CG 4.46Å; F2010-L2089 HydrophobicContact CD1-CD1 3.8Å; F2010-L2089 HydrophobicContact CD1-CD2 3.92Å; F2010-L2089 HydrophobicContact CD1-CG 4.37Å; F2010-L2089 HydrophobicContact CD2-CD1 4.33Å; F2010-L2089 HydrophobicContact CE1-CD1 3.83Å; F2010-L2089 HydrophobicContact CE2-CD1 4.37Å; F2010-L2089 HydrophobicContact CG-CD1 4.06Å; F2010-L2089 HydrophobicContact CG-CD2 4.13Å; F2010-L2089 HydrophobicContact CG-CG 4.39Å; F2010-L2089 HydrophobicContact CZ-CD1 4.15Å |
| 2011 | I | 76.3 | Confident | 74.6 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 171.9 | -71 | 166.1 | 0 | 0 | 0 | 111.5 | V2007 L2008 I2009 A2013 V2014 G2015 A2021 L2024 L2034 V2085 | V2007-I2011 HydrophobicContact CG1-CD1 3.75Å; V2007-I2011 HydrophobicContact CG1-CG1 4.38Å; V2007-I2011 WeakPolarHBondContact O-CB 3.45Å; V2007-I2011 WeakPolarHBondContact O-CG1 3.38Å; V2007-I2011 PolarHBondContact O-N 2.91Å; L2008-I2011 WeakPolarHBondContact O-CB 3.45Å; L2008-I2011 PolarHBondContact O-N 2.72Å; I2009-I2011 VanDerWaalsContact C-N 3.28Å; I2009-I2011 PolarHBondContact O-N 3.36Å; I2011-A2013 PolarHBondContact O-N 3.22Å; I2011-V2014 PolarHBondContact O-N 3.11Å; I2011-G2015 PolarHBondContact O-N 3.44Å; I2011-G2015 VanDerWaalsContact O-N 3.12Å; I2011-A2021 HydrophobicContact CD1-CB 4.34Å; I2011-A2021 HydrophobicContact CG2-CB 3.66Å; I2011-L2024 HydrophobicContact CD1-CD2 4.34Å; I2011-L2034 HydrophobicContact CG2-CD1 4.17Å; I2011-V2085 HydrophobicContact CD1-CG2 4.48Å; I2011-V2085 HydrophobicContact CG1-CG1 3.86Å; I2011-V2085 HydrophobicContact CG1-CG2 3.83Å |
| 2012 | I | 73.3 | Confident | 74 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -39.5 | 176.9 | -72.3 | 166.5 | 0 | 0 | 0 | 110 | L2008 I2009 L2034 Y2037 | L2008-I2012 HydrophobicContact CD1-CD1 4.28Å; L2008-I2012 HydrophobicContact CD1-CG1 4.41Å; L2008-I2012 HydrophobicContact CD2-CD1 4.39Å; L2008-I2012 HydrophobicContact CG-CD1 3.91Å; L2008-I2012 HydrophobicContact CG-CG1 4.44Å; L2008-I2012 VanDerWaalsContact O-CG1 3.26Å; L2008-I2012 WeakPolarHBondContact O-CG1 3.28Å; L2008-I2012 PolarHBondContact O-N 2.96Å; I2009-I2012 WeakPolarHBondContact O-CB 3.02Å; I2009-I2012 PolarHBondContact O-N 3.45Å; I2012-L2034 HydrophobicContact CG1-CD1 3.84Å; I2012-Y2037 HydrophobicContact CG2-CD2 3.56Å; I2012-Y2037 HydrophobicContact CG2-CE2 4.35Å; I2012-Y2037 HydrophobicContact CG2-CG 3.88Å |
| 2013 | A | 73.1 | Confident | 73.6 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.3 | -38.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I2009 F2010 I2011 V2045 I2049 L2089 I2092 | I2009-A2013 WeakPolarHBondContact O-CB 3.48Å; I2009-A2013 PolarHBondContact O-N 3.44Å; F2010-A2013 WeakPolarHBondContact O-CB 3.41Å; F2010-A2013 PolarHBondContact O-N 3.18Å; I2011-A2013 PolarHBondContact O-N 3.22Å; A2013-V2045 HydrophobicContact CB-CG1 3.89Å; A2013-I2049 HydrophobicContact CB-CD1 3.45Å; A2013-I2049 VanDerWaalsContact CB-CD1 3.45Å; A2013-I2049 HydrophobicContact CB-CG1 4.16Å; A2013-L2089 HydrophobicContact CB-CD2 4.06Å; A2013-I2092 HydrophobicContact CB-CD1 3.59Å |
| 2014 | V | 70.9 | Confident | 73.4 | Confident | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77.8 | -23.7 | -179 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | F2010 I2011 K2016 G2088 L2089 | F2010-V2014 VanDerWaalsContact O-CG2 3.28Å; F2010-V2014 WeakPolarHBondContact O-CG2 3.49Å; F2010-V2014 PolarHBondContact O-N 2.97Å; I2011-V2014 PolarHBondContact O-N 3.11Å; V2014-K2016 HydrophobicContact CG1-CB 4.41Å; V2014-K2016 HydrophobicContact CG1-CG 4.26Å; V2014-K2016 PolarHBondContact O-N 2.7Å; V2014-G2088 WeakPolarHBondContact CG2-O 3.2Å; V2014-L2089 HydrophobicContact CG2-CD2 4.32Å |
| 2015 | G | 65.4 | Low | 72.9 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | trans | 71.8 | -3.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | I2011 | I2011-G2015 PolarHBondContact O-N 3.44Å; I2011-G2015 VanDerWaalsContact O-N 3.12Å | ||
| 2016 | K | 62.7 | Low | 72.6 | Confident | 103 Ų | 103 | 55 Ų | 55 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | trans | -73.4 | 137 | 177.5 | -75.2 | -172.9 | 175.1 | -178.1 | 0 | 111.9 | V2014 F2018 E2134 R2135 | V2014-K2016 HydrophobicContact CG1-CB 4.41Å; V2014-K2016 HydrophobicContact CG1-CG 4.26Å; V2014-K2016 PolarHBondContact O-N 2.7Å; K2016-F2018 PolarHBondContact O-N 3.21Å; K2016-E2134 IonicContact NZ-OE1 3.19Å; K2016-R2135 VanDerWaalsContact NZ-CZ 3.3Å | ||
| 2017 | K | 60.4 | Low | 72.2 | Confident | 215 Ų | 215 | 62.2 Ų | 62.2 | 94% | 0.935 | 30% | 0.295 | S | S | * | . | trans | -68.6 | 85.4 | 177.6 | -71.8 | -177.6 | -179.8 | 173.2 | 0 | 111.7 | ||||
| 2018 | F | 61.8 | Low | 71.9 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 34% | 0.338 | 30% | 0.298 | S | S | . | . | trans | -82.1 | 126.4 | 174.2 | -149.4 | -95.7 | 0 | 0 | 0 | 110.6 | K2016 G2020 A2021 Y2081 | K2016-F2018 PolarHBondContact O-N 3.21Å; F2018-G2020 PolarHBondContact O-N 3.02Å; F2018-G2020 VanDerWaalsContact O-N 3.16Å; F2018-A2021 HydrophobicContact CB-CB 3.86Å; F2018-A2021 WeakPolarHBondContact O-CB 3.28Å; F2018-A2021 PolarHBondContact O-N 3.43Å; F2018-Y2081 AromaticContact CE1-CD1 3.56Å; F2018-Y2081 HydrophobicContact CE1-CD1 3.56Å; F2018-Y2081 HydrophobicContact CE1-CD2 4.42Å; F2018-Y2081 AromaticContact CE1-CE1 3.3Å; F2018-Y2081 HydrophobicContact CE1-CE1 3.3Å; F2018-Y2081 HydrophobicContact CE1-CE2 4.2Å; F2018-Y2081 HydrophobicContact CE1-CG 4.14Å; F2018-Y2081 AromaticContact CE1-CZ 3.65Å; F2018-Y2081 HydrophobicContact CE2-CD1 4.47Å; F2018-Y2081 AromaticContact CZ-CD1 3.37Å; F2018-Y2081 HydrophobicContact CZ-CD1 3.37Å; F2018-Y2081 AromaticContact CZ-CE1 3.35Å; F2018-Y2081 HydrophobicContact CZ-CE1 3.35Å; F2018-Y2081 HydrophobicContact CZ-CG 4.24Å | ||
| 2019 | K | 64 | Low | 71.4 | Confident | 214 Ų | 214 | 65 Ų | 65 | 93% | 0.93 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32 | -177.4 | -81.4 | -179.8 | 178.7 | 173.8 | 0 | 112.9 | ||
| 2020 | G | 65.2 | Low | 71.1 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -22.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F2018 K2022 K2023 L2024 | F2018-G2020 PolarHBondContact O-N 3.02Å; F2018-G2020 VanDerWaalsContact O-N 3.16Å; G2020-K2022 PolarHBondContact O-N 3.12Å; G2020-K2023 PolarHBondContact O-N 3.03Å; G2020-K2023 VanDerWaalsContact O-N 3.13Å; G2020-L2024 PolarHBondContact O-N 3.06Å |
| 2021 | A | 68.8 | Low | 70.3 | Confident | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I2011 F2018 K2023 L2024 S2025 L2034 | I2011-A2021 HydrophobicContact CD1-CB 4.34Å; I2011-A2021 HydrophobicContact CG2-CB 3.66Å; F2018-A2021 HydrophobicContact CB-CB 3.86Å; F2018-A2021 WeakPolarHBondContact O-CB 3.28Å; F2018-A2021 PolarHBondContact O-N 3.43Å; A2021-K2023 VanDerWaalsContact C-N 3.3Å; A2021-K2023 PolarHBondContact O-N 2.78Å; A2021-L2024 PolarHBondContact O-N 3.21Å; A2021-S2025 WeakPolarHBondContact O-CB 3.05Å; A2021-S2025 PolarHBondContact O-N 3.42Å; A2021-L2034 HydrophobicContact CB-CD2 4.01Å |
| 2022 | K | 71.1 | Confident | 69.8 | Low | 132 Ų | 132 | 71.9 Ų | 71.9 | 57% | 0.574 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.5 | -35.1 | 179.4 | -164.8 | 175.6 | -176.1 | 179.3 | 0 | 111.9 | G2020 N2026 | G2020-K2022 PolarHBondContact O-N 3.12Å; K2022-N2026 VanDerWaalsContact O-CB 3.28Å; K2022-N2026 WeakPolarHBondContact O-CB 3.27Å; K2022-N2026 PolarHBondContact O-N 2.73Å; K2022-N2026 PolarHBondContact O-ND2 3.31Å |
| 2023 | K | 75.5 | Confident | 69.5 | Low | 166 Ų | 166 | 72 Ų | 72 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -71 | -44.7 | 176.9 | -167.7 | -177.3 | 177.9 | -169.2 | 0 | 110.8 | G2020 A2021 R2027 | G2020-K2023 PolarHBondContact O-N 3.03Å; G2020-K2023 VanDerWaalsContact O-N 3.13Å; A2021-K2023 VanDerWaalsContact C-N 3.3Å; A2021-K2023 PolarHBondContact O-N 2.78Å; K2023-R2027 WeakPolarHBondContact O-CB 3.44Å; K2023-R2027 PolarHBondContact O-N 2.94Å |
| 2024 | L | 75.1 | Confident | 69 | Low | 22 Ų | 22 | 73.8 Ų | 73.8 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -49 | 175.8 | -166.9 | 84.2 | 0 | 0 | 0 | 111.6 | D2004 V2007 L2008 I2011 G2020 A2021 N2026 R2027 L2028 | D2004-L2024 HydrophobicContact CB-CD1 4.09Å; V2007-L2024 HydrophobicContact CG1-CD2 4.3Å; L2008-L2024 HydrophobicContact CB-CD2 3.76Å; L2008-L2024 HydrophobicContact CD1-CD2 4.22Å; I2011-L2024 HydrophobicContact CD1-CD2 4.34Å; G2020-L2024 PolarHBondContact O-N 3.06Å; A2021-L2024 PolarHBondContact O-N 3.21Å; L2024-N2026 PolarHBondContact O-N 2.87Å; L2024-R2027 WeakPolarHBondContact O-CB 3.03Å; L2024-R2027 PolarHBondContact O-N 3.14Å; L2024-R2027 VanDerWaalsContact O-N 3.12Å; L2024-L2028 HydrophobicContact CG-CD1 4.34Å; L2024-L2028 WeakPolarHBondContact O-CG 3.21Å; L2024-L2028 PolarHBondContact O-N 3.41Å |
| 2025 | S | 73.9 | Confident | 68.8 | Low | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | A2021 L2028 G2029 F2030 G2031 | A2021-S2025 WeakPolarHBondContact O-CB 3.05Å; A2021-S2025 PolarHBondContact O-N 3.42Å; S2025-L2028 PolarHBondContact O-N 3.33Å; S2025-G2029 PolarHBondContact O-N 2.84Å; S2025-F2030 PolarHBondContact O-N 3.41Å; S2025-F2030 PolarHBondContact OG-O 3.18Å; S2025-G2031 PolarHBondContact O-N 3.07Å; S2025-G2031 VanDerWaalsContact OG-CA 3.23Å; S2025-G2031 WeakPolarHBondContact OG-CA 3.49Å; S2025-G2031 PolarHBondContact OG-N 3.48Å |
| 2026 | N | 76.2 | Confident | 68.7 | Low | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 174.6 | -73.4 | -12 | 0 | 0 | 0 | 112.5 | K2022 L2024 L2028 G2029 G2031 | K2022-N2026 VanDerWaalsContact O-CB 3.28Å; K2022-N2026 WeakPolarHBondContact O-CB 3.27Å; K2022-N2026 PolarHBondContact O-N 2.73Å; K2022-N2026 PolarHBondContact O-ND2 3.31Å; L2024-N2026 PolarHBondContact O-N 2.87Å; N2026-L2028 VanDerWaalsContact C-N 3.32Å; N2026-L2028 PolarHBondContact O-N 3.06Å; N2026-G2029 PolarHBondContact O-N 3.36Å; N2026-G2031 WeakPolarHBondContact OD1-CA 3.47Å |
| 2027 | R | 77 | Confident | 68.7 | Low | 154 Ų | 154 | 74.6 Ų | 74.6 | 58% | 0.581 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -38.4 | 176.1 | -175.3 | 172.2 | 73 | -167.5 | -1.8 | 112 | D2004 K2023 L2024 | D2004-R2027 IonicContact OD1-NH2 3.95Å; D2004-R2027 PolarHBondContact OD1-NH2 3.2Å; D2004-R2027 IonicContact OD2-CZ 3.23Å; D2004-R2027 IonicContact OD2-NE 2.77Å; D2004-R2027 IonicContact OD2-NH2 2.9Å; D2004-R2027 PolarHBondContact OD2-NH2 3.37Å; K2023-R2027 WeakPolarHBondContact O-CB 3.44Å; K2023-R2027 PolarHBondContact O-N 2.94Å; L2024-R2027 WeakPolarHBondContact O-CB 3.03Å; L2024-R2027 PolarHBondContact O-N 3.14Å; L2024-R2027 VanDerWaalsContact O-N 3.12Å |
| 2028 | L | 75.7 | Confident | 68.6 | Low | 11 Ų | 11 | 67.8 Ų | 67.8 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -90 | -1.9 | -179 | -60.9 | 176.8 | 0 | 0 | 0 | 113.9 | D2004 Y2005 L2008 L2024 S2025 N2026 F2030 | D2004-L2028 HydrophobicContact CB-CD1 3.87Å; D2004-L2028 HydrophobicContact CB-CD2 4.2Å; D2004-L2028 HydrophobicContact CB-CG 4.48Å; D2004-L2028 WeakPolarHBondContact O-CD1 3.26Å; Y2005-L2028 HydrophobicContact CD1-CD1 4.38Å; Y2005-L2028 HydrophobicContact CD2-CD2 4.03Å; Y2005-L2028 HydrophobicContact CE1-CB 4.41Å; Y2005-L2028 HydrophobicContact CE1-CD2 4.37Å; Y2005-L2028 HydrophobicContact CE2-CD2 3.68Å; Y2005-L2028 HydrophobicContact CG-CD1 4.27Å; Y2005-L2028 HydrophobicContact CG-CD2 4.48Å; L2008-L2028 HydrophobicContact CB-CD1 4.01Å; L2008-L2028 HydrophobicContact CD2-CB 4.11Å; L2008-L2028 HydrophobicContact CD2-CD1 3.68Å; L2008-L2028 HydrophobicContact CG-CD1 4.46Å; L2024-L2028 HydrophobicContact CG-CD1 4.34Å; L2024-L2028 WeakPolarHBondContact O-CG 3.21Å; L2024-L2028 PolarHBondContact O-N 3.41Å; S2025-L2028 PolarHBondContact O-N 3.33Å; N2026-L2028 VanDerWaalsContact C-N 3.32Å; N2026-L2028 PolarHBondContact O-N 3.06Å; L2028-F2030 HydrophobicContact CB-CD2 3.86Å; L2028-F2030 HydrophobicContact CB-CE2 4.43Å |
| 2029 | G | 70.5 | Confident | 68.3 | Low | 50 Ų | 50 | 71.1 Ų | 71.1 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 8.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | S2025 N2026 | S2025-G2029 PolarHBondContact O-N 2.84Å; N2026-G2029 PolarHBondContact O-N 3.36Å |
| 2030 | F | 73.1 | Confident | 68.1 | Low | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | trans | -95.8 | 14.2 | -179 | -74.6 | -72.9 | 0 | 0 | 0 | 114 | M1970 L1974 Y2005 L2008 S2025 L2028 R2032 S2033 L2034 | M1970-F2030 HydrophobicContact CE-CD1 4.13Å; M1970-F2030 HydrophobicContact CE-CE1 3.85Å; L1974-F2030 HydrophobicContact CD2-CE1 4.47Å; L1974-F2030 HydrophobicContact CD2-CE2 4.49Å; L1974-F2030 HydrophobicContact CD2-CZ 3.83Å; Y2005-F2030 AromaticContact CD1-CE2 3.75Å; Y2005-F2030 HydrophobicContact CD1-CE2 3.75Å; Y2005-F2030 AromaticContact CE1-CE2 3.61Å; Y2005-F2030 HydrophobicContact CE1-CE2 3.61Å; Y2005-F2030 HydrophobicContact CE1-CZ 4.41Å; L2008-F2030 HydrophobicContact CD2-CB 3.62Å; L2008-F2030 HydrophobicContact CD2-CD2 3.44Å; L2008-F2030 VanDerWaalsContact CD2-CD2 3.44Å; L2008-F2030 HydrophobicContact CD2-CE2 4.35Å; L2008-F2030 HydrophobicContact CD2-CG 3.8Å; S2025-F2030 PolarHBondContact O-N 3.41Å; S2025-F2030 PolarHBondContact OG-O 3.18Å; L2028-F2030 HydrophobicContact CB-CD2 3.86Å; L2028-F2030 HydrophobicContact CB-CE2 4.43Å; F2030-R2032 PolarHBondContact O-N 3.21Å; F2030-S2033 WeakPolarHBondContact CB-OG 3.45Å; F2030-S2033 PolarHBondContact O-N 3.04Å; F2030-S2033 PolarHBondContact O-OG 3.44Å; F2030-L2034 PolarHBondContact O-N 3.45Å | ||
| 2031 | G | 66 | Low | 68 | Low | 19 Ų | 19 | 62.7 Ų | 62.7 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -33.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.3 | S2025 N2026 | S2025-G2031 PolarHBondContact O-N 3.07Å; S2025-G2031 VanDerWaalsContact OG-CA 3.23Å; S2025-G2031 WeakPolarHBondContact OG-CA 3.49Å; S2025-G2031 PolarHBondContact OG-N 3.48Å; N2026-G2031 WeakPolarHBondContact OD1-CA 3.47Å |
| 2032 | R | 65.7 | Low | 67.9 | Low | 133 Ų | 133 | 64.6 Ų | 64.6 | 50% | 0.502 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -35.2 | 178 | -67.2 | -173.4 | -175.9 | -179.8 | 2.4 | 113.3 | E1958 F2030 L2034 Q2035 C2036 | E1958-R2032 IonicContact OE1-NH1 2.77Å; E1958-R2032 PolarHBondContact OE1-NH1 2.65Å; F2030-R2032 PolarHBondContact O-N 3.21Å; R2032-L2034 VanDerWaalsContact C-N 3.29Å; R2032-L2034 PolarHBondContact O-N 3Å; R2032-Q2035 PolarHBondContact O-N 3.08Å; R2032-Q2035 VanDerWaalsContact O-N 3.13Å; R2032-C2036 PolarHBondContact O-N 3.41Å |
| 2033 | S | 67.5 | Low | 67.7 | Low | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 179.8 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | F2030 Q2035 C2036 Y2037 | F2030-S2033 WeakPolarHBondContact CB-OG 3.45Å; F2030-S2033 PolarHBondContact O-N 3.04Å; F2030-S2033 PolarHBondContact O-OG 3.44Å; S2033-Q2035 PolarHBondContact O-N 3.39Å; S2033-C2036 PolarHBondContact O-N 3.27Å; S2033-Y2037 WeakPolarHBondContact O-CD2 3.25Å; S2033-Y2037 PolarHBondContact O-N 3.19Å |
| 2034 | L | 62.5 | Low | 67.6 | Low | 44 Ų | 44 | 52.7 Ų | 52.7 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.5 | -28.7 | 174.8 | -168.9 | 71.2 | 0 | 0 | 0 | 113.1 | I2011 I2012 A2021 F2030 R2032 | I2011-L2034 HydrophobicContact CG2-CD1 4.17Å; I2012-L2034 HydrophobicContact CG1-CD1 3.84Å; A2021-L2034 HydrophobicContact CB-CD2 4.01Å; F2030-L2034 PolarHBondContact O-N 3.45Å; R2032-L2034 VanDerWaalsContact C-N 3.29Å; R2032-L2034 PolarHBondContact O-N 3Å |
| 2035 | Q | 65.6 | Low | 67.5 | Low | 136 Ų | 136 | 51.7 Ų | 51.7 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -78.5 | -30 | 176.1 | -68.1 | -177.6 | -31.3 | 0 | 0 | 112.8 | R2032 S2033 | R2032-Q2035 PolarHBondContact O-N 3.08Å; R2032-Q2035 VanDerWaalsContact O-N 3.13Å; S2033-Q2035 PolarHBondContact O-N 3.39Å |
| 2036 | C | 63.9 | Low | 67.5 | Low | 36 Ų | 36 | 51.8 Ų | 51.8 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77 | -25.9 | -176 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | I1963 R2032 S2033 | I1963-C2036 VanDerWaalsContact CG2-SG 3.56Å; R2032-C2036 PolarHBondContact O-N 3.41Å; S2033-C2036 PolarHBondContact O-N 3.27Å |
| 2037 | Y | 63.9 | Low | 67.4 | Low | 11 Ų | 11 | 48.4 Ų | 48.4 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 15.9 | -175.7 | -63.9 | -73.6 | 0 | 0 | 0 | 113.9 | T1967 D1968 L1971 I2012 S2033 D2039 G2040 T2042 V2045 | T1967-Y2037 WeakPolarHBondContact CB-OH 3.18Å; T1967-Y2037 PolarHBondContact OG1-OH 3.24Å; T1967-Y2037 VanDerWaalsContact OG1-OH 3.12Å; D1968-Y2037 PolarHBondContact OD1-OH 3.18Å; L1971-Y2037 HydrophobicContact CD1-CE2 4.04Å; L1971-Y2037 VanDerWaalsContact CD1-OH 3.24Å; L1971-Y2037 WeakPolarHBondContact CD1-OH 3.41Å; I2012-Y2037 HydrophobicContact CG2-CD2 3.56Å; I2012-Y2037 HydrophobicContact CG2-CE2 4.35Å; I2012-Y2037 HydrophobicContact CG2-CG 3.88Å; S2033-Y2037 WeakPolarHBondContact O-CD2 3.25Å; S2033-Y2037 PolarHBondContact O-N 3.19Å; Y2037-D2039 PolarHBondContact O-N 3.15Å; Y2037-D2039 VanDerWaalsContact O-N 3.09Å; Y2037-G2040 PolarHBondContact O-N 3.06Å; Y2037-T2042 HydrophobicContact CE1-CG2 3.91Å; Y2037-V2045 HydrophobicContact CD1-CG2 4.09Å; Y2037-V2045 HydrophobicContact CE1-CG2 3.71Å |
| 2038 | S | 58.2 | Low | 67.6 | Low | 72 Ų | 72 | 41 Ų | 41 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.9 | 171.2 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 2039 | D | 55.2 | Low | 67.8 | Low | 148 Ų | 148 | 40.5 Ų | 40.5 | 79% | 0.791 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 8.8 | -169.6 | -57.7 | -9.4 | 0 | 0 | 0 | 113.2 | Y2037 | Y2037-D2039 PolarHBondContact O-N 3.15Å; Y2037-D2039 VanDerWaalsContact O-N 3.09Å |
| 2040 | G | 58.7 | Low | 68.2 | Low | 47 Ų | 47 | 39.4 Ų | 39.4 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | trans | 120.7 | 160.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y2037 | Y2037-G2040 PolarHBondContact O-N 3.06Š| ||
| 2041 | A | 64 | Low | 68.6 | Low | 17 Ų | 17 | 39.1 Ų | 39.1 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | trans | -80.5 | 142.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V2045 I2092 C2094 | A2041-V2045 HydrophobicContact CB-CB 4.28Å; A2041-V2045 HydrophobicContact CB-CG1 4.06Å; A2041-I2092 HydrophobicContact CB-CG2 4.1Å; A2041-C2094 PolarHBondContact O-SG 3.48Å; A2041-C2094 VanDerWaalsContact O-SG 3.39Å | ||
| 2042 | T | 66.8 | Low | 69.5 | Low | 44 Ų | 44 | 38.2 Ų | 38.2 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | trans | -92.7 | 168.1 | 171.9 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | D1968 Y2037 C2044 V2045 L2046 | D1968-T2042 PolarHBondContact OD1-OG1 3.3Å; Y2037-T2042 HydrophobicContact CE1-CG2 3.91Å; T2042-C2044 VanDerWaalsContact C-N 3.27Å; T2042-C2044 PolarHBondContact O-N 3.39Å; T2042-V2045 WeakPolarHBondContact O-CB 3.37Å; T2042-V2045 PolarHBondContact O-N 3.12Å; T2042-V2045 VanDerWaalsContact O-N 3.15Å; T2042-V2045 WeakPolarHBondContact OG1-CG2 3.13Å; T2042-L2046 PolarHBondContact O-N 2.82Å | ||
| 2043 | S | 67.2 | Low | 70.5 | Confident | 29 Ų | 29 | 32.2 Ų | 32.2 | 20% | 0.203 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -36.5 | 175.6 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | V2045 L2046 I2047 | S2043-V2045 VanDerWaalsContact C-N 3.33Å; S2043-V2045 PolarHBondContact O-N 3.09Å; S2043-L2046 PolarHBondContact O-N 2.54Å; S2043-I2047 WeakPolarHBondContact O-CG1 3.31Å; S2043-I2047 PolarHBondContact O-N 3.13Å; S2043-I2047 VanDerWaalsContact O-N 3.08Å |
| 2044 | C | 72.3 | Confident | 71.3 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.4 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | D1968 T2042 I2047 C2048 | D1968-C2044 HydrophobicContact CB-CB 4.07Å; T2042-C2044 VanDerWaalsContact C-N 3.27Å; T2042-C2044 PolarHBondContact O-N 3.39Å; C2044-I2047 PolarHBondContact O-N 3.34Å; C2044-C2048 WeakPolarHBondContact O-CB 3.49Å; C2044-C2048 PolarHBondContact O-N 3.1Å |
| 2045 | V | 73.8 | Confident | 72.4 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 172.3 | 175.1 | 0 | 0 | 0 | 0 | 110 | L1971 A2013 Y2037 A2041 T2042 S2043 I2047 C2048 I2049 | L1971-V2045 HydrophobicContact CD1-CB 4.35Å; L1971-V2045 HydrophobicContact CD1-CG2 3.36Å; A2013-V2045 HydrophobicContact CB-CG1 3.89Å; Y2037-V2045 HydrophobicContact CD1-CG2 4.09Å; Y2037-V2045 HydrophobicContact CE1-CG2 3.71Å; A2041-V2045 HydrophobicContact CB-CB 4.28Å; A2041-V2045 HydrophobicContact CB-CG1 4.06Å; T2042-V2045 WeakPolarHBondContact O-CB 3.37Å; T2042-V2045 PolarHBondContact O-N 3.12Å; T2042-V2045 VanDerWaalsContact O-N 3.15Å; T2042-V2045 WeakPolarHBondContact OG1-CG2 3.13Å; S2043-V2045 VanDerWaalsContact C-N 3.33Å; S2043-V2045 PolarHBondContact O-N 3.09Å; V2045-I2047 PolarHBondContact O-N 3.43Å; V2045-C2048 WeakPolarHBondContact O-CB 3.38Å; V2045-C2048 PolarHBondContact O-N 3.36Å; V2045-I2049 HydrophobicContact CG1-CD1 3.83Å; V2045-I2049 HydrophobicContact CG1-CG1 4.29Å; V2045-I2049 VanDerWaalsContact O-CG1 3.25Å; V2045-I2049 WeakPolarHBondContact O-CG1 3.29Å; V2045-I2049 PolarHBondContact O-N 3.14Å |
| 2046 | L | 73.7 | Confident | 73.3 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 177.8 | -102.6 | 92.9 | 0 | 0 | 0 | 113.6 | T2042 S2043 C2048 I2049 H2050 I2092 V2099 P2100 I2102 | T2042-L2046 PolarHBondContact O-N 2.82Å; S2043-L2046 PolarHBondContact O-N 2.54Å; L2046-C2048 VanDerWaalsContact C-N 3.28Å; L2046-C2048 PolarHBondContact O-N 2.82Å; L2046-I2049 PolarHBondContact O-N 3.44Å; L2046-H2050 PolarHBondContact O-CD2 3.36Å; L2046-H2050 VanDerWaalsContact O-CD2 3.27Å; L2046-H2050 PolarHBondContact O-N 2.97Å; L2046-I2092 HydrophobicContact CD1-CG2 4.22Å; L2046-V2099 HydrophobicContact CB-CG1 3.86Å; L2046-V2099 HydrophobicContact CD2-CB 3.99Å; L2046-V2099 HydrophobicContact CD2-CG1 3.4Å; L2046-V2099 HydrophobicContact CG-CG1 4.22Å; L2046-P2100 WeakPolarHBondContact CD2-O 3.5Å; L2046-I2102 HydrophobicContact CD2-CG1 4.45Å |
| 2047 | I | 75 | Confident | 74.4 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 14% | 0.138 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.8 | -64.1 | 166.3 | 0 | 0 | 0 | 110 | I1910 L1913 S2043 C2044 V2045 I2049 H2050 A2051 | I1910-I2047 HydrophobicContact CD1-CD1 4.08Å; I1910-I2047 HydrophobicContact CD1-CG1 3.91Å; I1910-I2047 HydrophobicContact CG1-CD1 3.99Å; I1910-I2047 HydrophobicContact CG1-CG1 4.15Å; L1913-I2047 HydrophobicContact CD2-CD1 4.34Å; L1913-I2047 HydrophobicContact CD2-CG2 3.83Å; S2043-I2047 WeakPolarHBondContact O-CG1 3.31Å; S2043-I2047 PolarHBondContact O-N 3.13Å; S2043-I2047 VanDerWaalsContact O-N 3.08Å; C2044-I2047 PolarHBondContact O-N 3.34Å; V2045-I2047 PolarHBondContact O-N 3.43Å; I2047-I2049 VanDerWaalsContact C-N 3.33Å; I2047-H2050 PolarHBondContact O-N 3.4Å; I2047-A2051 PolarHBondContact O-N 3.07Å; I2047-A2051 VanDerWaalsContact O-N 3.14Å |
| 2048 | C | 80.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.6 | -164.8 | 0 | 0 | 0 | 0 | 111.9 | L1971 C2044 V2045 L2046 A2051 S2052 | L1971-C2048 HydrophobicContact CB-CB 4.43Å; L1971-C2048 HydrophobicContact CD2-CB 4.41Å; C2044-C2048 WeakPolarHBondContact O-CB 3.49Å; C2044-C2048 PolarHBondContact O-N 3.1Å; V2045-C2048 WeakPolarHBondContact O-CB 3.38Å; V2045-C2048 PolarHBondContact O-N 3.36Å; L2046-C2048 VanDerWaalsContact C-N 3.28Å; L2046-C2048 PolarHBondContact O-N 2.82Å; C2048-A2051 PolarHBondContact O-N 3.33Å; C2048-S2052 WeakPolarHBondContact O-CB 3.34Å; C2048-S2052 PolarHBondContact O-N 3.37Å; C2048-S2052 PolarHBondContact O-OG 3.5Å; C2048-S2052 VanDerWaalsContact O-OG 3.07Å |
| 2049 | I | 79.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -51.6 | 176.4 | -69.9 | 164.5 | 0 | 0 | 0 | 110.8 | I2009 F2010 A2013 V2045 L2046 I2047 A2051 S2052 L2053 L2089 I2092 I2102 | I2009-I2049 HydrophobicContact CG2-CG1 4.38Å; F2010-I2049 HydrophobicContact CD1-CG1 4.46Å; F2010-I2049 HydrophobicContact CD1-CG2 4.37Å; F2010-I2049 HydrophobicContact CE1-CG2 4.02Å; A2013-I2049 HydrophobicContact CB-CD1 3.45Å; A2013-I2049 VanDerWaalsContact CB-CD1 3.45Å; A2013-I2049 HydrophobicContact CB-CG1 4.16Å; V2045-I2049 HydrophobicContact CG1-CD1 3.83Å; V2045-I2049 HydrophobicContact CG1-CG1 4.29Å; V2045-I2049 VanDerWaalsContact O-CG1 3.25Å; V2045-I2049 WeakPolarHBondContact O-CG1 3.29Å; V2045-I2049 PolarHBondContact O-N 3.14Å; L2046-I2049 PolarHBondContact O-N 3.44Å; I2047-I2049 VanDerWaalsContact C-N 3.33Å; I2049-A2051 VanDerWaalsContact C-N 3.27Å; I2049-A2051 PolarHBondContact O-N 2.88Å; I2049-S2052 VanDerWaalsContact CA-OG 3.27Å; I2049-S2052 WeakPolarHBondContact CA-OG 3.3Å; I2049-S2052 CarbonylContact O-C 3.47Å; I2049-S2052 PolarHBondContact O-N 3.3Å; I2049-S2052 PolarHBondContact O-OG 3.48Å; I2049-L2053 HydrophobicContact CG2-CD1 3.85Å; I2049-L2053 HydrophobicContact CG2-CG 4.19Å; I2049-L2053 WeakPolarHBondContact O-CG 3.23Å; I2049-L2053 PolarHBondContact O-N 3.14Å; I2049-L2089 HydrophobicContact CD1-CD2 4.2Å; I2049-L2089 HydrophobicContact CG2-CD1 4.09Å; I2049-L2089 HydrophobicContact CG2-CD2 4.36Å; I2049-I2092 HydrophobicContact CD1-CD1 3.98Å; I2049-I2102 HydrophobicContact CB-CD1 4.45Å; I2049-I2102 HydrophobicContact CD1-CD1 3.87Å; I2049-I2102 HydrophobicContact CG2-CD1 3.64Å; I2049-I2102 HydrophobicContact CG2-CG1 4.44Å |
| 2050 | H | 79.5 | Confident | 77.9 | Confident | 26 Ų | 26 | 17.7 Ų | 17.7 | 12% | 0.12 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 178.8 | -75.7 | -69.6 | 0 | 0 | 0 | 112.3 | L2046 I2047 S2054 D2106 | L2046-H2050 PolarHBondContact O-CD2 3.36Å; L2046-H2050 VanDerWaalsContact O-CD2 3.27Å; L2046-H2050 PolarHBondContact O-N 2.97Å; I2047-H2050 PolarHBondContact O-N 3.4Å; H2050-S2054 PolarHBondContact O-N 2.58Å; H2050-S2054 VanDerWaalsContact O-N 3.12Å; H2050-S2054 PolarHBondContact O-OG 3.47Å; H2050-D2106 IonicContact CE1-OD1 2.71Å; H2050-D2106 PolarHBondContact CE1-OD1 3.48Å; H2050-D2106 IonicContact CE1-OD2 2.71Å; H2050-D2106 IonicContact ND1-OD1 2.99Å |
| 2051 | A | 81.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 2% | 0.017 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1978 R1979 I2047 C2048 I2049 S2054 C2055 | F1978-A2051 HydrophobicContact CB-CB 4.04Å; F1978-A2051 HydrophobicContact CD2-CB 4.46Å; R1979-A2051 HydrophobicContact CG-CB 4.15Å; I2047-A2051 PolarHBondContact O-N 3.07Å; I2047-A2051 VanDerWaalsContact O-N 3.14Å; C2048-A2051 PolarHBondContact O-N 3.33Å; I2049-A2051 VanDerWaalsContact C-N 3.27Å; I2049-A2051 PolarHBondContact O-N 2.88Å; A2051-S2054 PolarHBondContact O-N 2.9Å; A2051-C2055 VanDerWaalsContact O-CB 3.32Å; A2051-C2055 WeakPolarHBondContact O-CB 3.36Å; A2051-C2055 PolarHBondContact O-N 3.29Å |
| 2052 | S | 85.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70 | -32.6 | 177.3 | 60 | 0 | 0 | 0 | 0 | 113.8 | F2010 C2048 I2049 C2055 L2056 | F2010-S2052 WeakPolarHBondContact CE1-OG 3.1Å; C2048-S2052 WeakPolarHBondContact O-CB 3.34Å; C2048-S2052 PolarHBondContact O-N 3.37Å; C2048-S2052 PolarHBondContact O-OG 3.5Å; C2048-S2052 VanDerWaalsContact O-OG 3.07Å; I2049-S2052 VanDerWaalsContact CA-OG 3.27Å; I2049-S2052 WeakPolarHBondContact CA-OG 3.3Å; I2049-S2052 CarbonylContact O-C 3.47Å; I2049-S2052 PolarHBondContact O-N 3.3Å; I2049-S2052 PolarHBondContact O-OG 3.48Å; S2052-C2055 PolarHBondContact O-N 2.89Å; S2052-L2056 VanDerWaalsContact O-CB 3.23Å; S2052-L2056 WeakPolarHBondContact O-CB 3.48Å; S2052-L2056 PolarHBondContact O-N 3.13Å |
| 2053 | L | 86 | Confident | 80.1 | Confident | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -47.2 | 172.4 | -75.3 | 169.2 | 0 | 0 | 0 | 110.8 | F2010 I2049 C2055 L2056 H2057 L2086 L2089 D2106 V2110 | F2010-L2053 HydrophobicContact CE1-CD2 4.2Å; F2010-L2053 HydrophobicContact CE1-CG 4.12Å; F2010-L2053 HydrophobicContact CE2-CD2 4.35Å; F2010-L2053 HydrophobicContact CZ-CD2 3.6Å; F2010-L2053 HydrophobicContact CZ-CG 3.92Å; I2049-L2053 HydrophobicContact CG2-CD1 3.85Å; I2049-L2053 HydrophobicContact CG2-CG 4.19Å; I2049-L2053 WeakPolarHBondContact O-CG 3.23Å; I2049-L2053 PolarHBondContact O-N 3.14Å; L2053-C2055 VanDerWaalsContact C-N 3.33Å; L2053-C2055 PolarHBondContact O-N 3.48Å; L2053-L2056 PolarHBondContact O-N 3.06Å; L2053-H2057 WeakPolarHBondContact O-CB 3.38Å; L2053-H2057 PolarHBondContact O-N 3.4Å; L2053-L2086 HydrophobicContact CD2-CD1 3.52Å; L2053-L2089 HydrophobicContact CD2-CD1 4.14Å; L2053-D2106 HydrophobicContact CD1-CB 4.43Å; L2053-V2110 HydrophobicContact CB-CG2 4.04Å; L2053-V2110 HydrophobicContact CD2-CB 4.49Å; L2053-V2110 HydrophobicContact CD2-CG2 3.9Å; L2053-V2110 WeakPolarHBondContact O-CG2 3.43Å |
| 2054 | S | 83.7 | Confident | 80.5 | Confident | 35 Ų | 35 | 16.5 Ų | 16.5 | 25% | 0.245 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.4 | -59 | 0 | 0 | 0 | 0 | 112 | R1979 E1982 H2050 A2051 K2058 | R1979-S2054 PolarHBondContact NH1-OG 3.28Å; R1979-S2054 PolarHBondContact NH2-OG 2.81Å; E1982-S2054 WeakPolarHBondContact OE2-CB 3.42Å; H2050-S2054 PolarHBondContact O-N 2.58Å; H2050-S2054 VanDerWaalsContact O-N 3.12Å; H2050-S2054 PolarHBondContact O-OG 3.47Å; A2051-S2054 PolarHBondContact O-N 2.9Å; S2054-K2058 PolarHBondContact O-N 3.43Å; S2054-K2058 VanDerWaalsContact O-N 3.14Å |
| 2055 | C | 85.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 175.6 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | F1978 A2051 S2052 L2053 K2058 W2059 | F1978-C2055 HydrophobicContact CB-CB 4.17Å; F1978-C2055 HydrophobicContact CD1-CB 4.4Å; F1978-C2055 HydrophobicContact CG-CB 4.48Å; A2051-C2055 VanDerWaalsContact O-CB 3.32Å; A2051-C2055 WeakPolarHBondContact O-CB 3.36Å; A2051-C2055 PolarHBondContact O-N 3.29Å; S2052-C2055 PolarHBondContact O-N 2.89Å; L2053-C2055 VanDerWaalsContact C-N 3.33Å; L2053-C2055 PolarHBondContact O-N 3.48Å; C2055-K2058 PolarHBondContact O-N 3.12Å; C2055-W2059 WeakPolarHBondContact O-CB 3.21Å; C2055-W2059 PolarHBondContact O-N 3.4Å |
| 2056 | L | 85.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.6 | -176.8 | 60.5 | 0 | 0 | 0 | 111.7 | I2006 F2010 S2052 L2053 K2058 W2059 L2060 I2082 V2110 | I2006-L2056 HydrophobicContact CD1-CB 4.17Å; I2006-L2056 HydrophobicContact CD1-CD1 4.33Å; I2006-L2056 HydrophobicContact CG2-CB 4.34Å; I2006-L2056 HydrophobicContact CG2-CD2 4.22Å; F2010-L2056 HydrophobicContact CE2-CD2 3.9Å; F2010-L2056 HydrophobicContact CZ-CD2 4.38Å; S2052-L2056 VanDerWaalsContact O-CB 3.23Å; S2052-L2056 WeakPolarHBondContact O-CB 3.48Å; S2052-L2056 PolarHBondContact O-N 3.13Å; L2053-L2056 PolarHBondContact O-N 3.06Å; L2056-K2058 PolarHBondContact O-N 3.37Å; L2056-W2059 HydrophobicContact CD1-CE3 3.9Å; L2056-W2059 HydrophobicContact CD1-CZ3 4.39Å; L2056-W2059 PolarHBondContact O-N 3.31Å; L2056-L2060 HydrophobicContact CD1-CD1 4.3Å; L2056-L2060 HydrophobicContact CD1-CG 4.31Å; L2056-L2060 HydrophobicContact CG-CD1 4.02Å; L2056-L2060 HydrophobicContact CG-CG 4.48Å; L2056-L2060 WeakPolarHBondContact O-CB 3.42Å; L2056-L2060 VanDerWaalsContact O-CG 3.31Å; L2056-L2060 WeakPolarHBondContact O-CG 3.49Å; L2056-L2060 PolarHBondContact O-N 3.22Å; L2056-I2082 HydrophobicContact CD2-CG2 4.36Å; L2056-V2110 HydrophobicContact CB-CG1 4.4Å; L2056-V2110 HydrophobicContact CD2-CG1 3.63Å; L2056-V2110 HydrophobicContact CG-CG1 3.91Å |
| 2057 | H | 86.9 | Confident | 80.6 | Confident | 50 Ų | 50 | 28.5 Ų | 28.5 | 23% | 0.231 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.2 | -50.8 | 175.3 | 177.4 | 73.7 | 0 | 0 | 0 | 111.7 | L2053 W2059 L2060 I2061 D2109 V2110 S2113 | L2053-H2057 WeakPolarHBondContact O-CB 3.38Å; L2053-H2057 PolarHBondContact O-N 3.4Å; H2057-W2059 PolarHBondContact O-N 2.8Å; H2057-L2060 PolarHBondContact O-N 3.12Å; H2057-I2061 VanDerWaalsContact NE2-CD1 3.34Å; H2057-I2061 WeakPolarHBondContact NE2-CD1 3.41Å; H2057-I2061 WeakPolarHBondContact O-CG1 3.46Å; H2057-I2061 PolarHBondContact O-N 3.31Å; H2057-I2061 VanDerWaalsContact O-N 3.07Å; H2057-D2109 PolarHBondContact CE1-O 2.91Å; H2057-D2109 PolarHBondContact ND1-O 2.82Å; H2057-V2110 HydrophobicContact CB-CG2 4.03Å; H2057-S2113 PolarHBondContact CE1-OG 3.4Å; H2057-S2113 PolarHBondContact ND1-OG 3.11Å |
| 2058 | K | 82.3 | Confident | 80.2 | Confident | 63 Ų | 63 | 29.1 Ų | 29.1 | 27% | 0.274 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.5 | -77.8 | -72.6 | -170.6 | 156.3 | 0 | 112.7 | E1982 D1986 S2054 C2055 L2056 I2061 G2062 | E1982-K2058 HydrophobicContact CG-CG 3.88Å; D1986-K2058 IonicContact OD1-NZ 2.67Å; D1986-K2058 PolarHBondContact OD1-NZ 3.04Å; S2054-K2058 PolarHBondContact O-N 3.43Å; S2054-K2058 VanDerWaalsContact O-N 3.14Å; C2055-K2058 PolarHBondContact O-N 3.12Å; L2056-K2058 PolarHBondContact O-N 3.37Å; K2058-I2061 PolarHBondContact O-N 3.35Å; K2058-G2062 PolarHBondContact O-N 3.26Å |
| 2059 | W | 85.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.3 | 179 | 75.4 | 0 | 0 | 0 | 112.2 | S1997 V2003 C2055 L2056 H2057 I2061 G2062 E2063 L2070 I2075 | S1997-W2059 VanDerWaalsContact OG-CD1 3.29Å; S1997-W2059 PolarHBondContact OG-NE1 3.12Å; V2003-W2059 HydrophobicContact CG2-CD2 4.09Å; V2003-W2059 HydrophobicContact CG2-CE3 4.16Å; V2003-W2059 HydrophobicContact CG2-CH2 3.61Å; V2003-W2059 HydrophobicContact CG2-CZ2 3.52Å; V2003-W2059 HydrophobicContact CG2-CZ3 3.93Å; C2055-W2059 WeakPolarHBondContact O-CB 3.21Å; C2055-W2059 PolarHBondContact O-N 3.4Å; L2056-W2059 HydrophobicContact CD1-CE3 3.9Å; L2056-W2059 HydrophobicContact CD1-CZ3 4.39Å; L2056-W2059 PolarHBondContact O-N 3.31Å; H2057-W2059 PolarHBondContact O-N 2.8Å; W2059-I2061 PolarHBondContact O-N 3.01Å; W2059-G2062 PolarHBondContact O-N 2.85Å; W2059-G2062 VanDerWaalsContact O-N 3.14Å; W2059-E2063 HydrophobicContact CZ2-CB 4.47Å; W2059-E2063 HydrophobicContact CZ2-CG 4.24Å; W2059-E2063 WeakPolarHBondContact O-CB 3.28Å; W2059-E2063 PolarHBondContact O-N 3.24Å; W2059-L2070 HydrophobicContact CH2-CD2 3.98Å; W2059-L2070 HydrophobicContact CZ3-CD2 4.22Å; W2059-I2075 HydrophobicContact CH2-CG2 4.16Å; W2059-I2075 HydrophobicContact CZ2-CG2 4.06Å |
| 2060 | L | 83 | Confident | 79.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.8 | -72.7 | 166 | 0 | 0 | 0 | 111.7 | L2056 H2057 G2062 E2063 V2064 L2070 V2110 Y2114 A2117 | L2056-L2060 HydrophobicContact CD1-CD1 4.3Å; L2056-L2060 HydrophobicContact CD1-CG 4.31Å; L2056-L2060 HydrophobicContact CG-CD1 4.02Å; L2056-L2060 HydrophobicContact CG-CG 4.48Å; L2056-L2060 WeakPolarHBondContact O-CB 3.42Å; L2056-L2060 VanDerWaalsContact O-CG 3.31Å; L2056-L2060 WeakPolarHBondContact O-CG 3.49Å; L2056-L2060 PolarHBondContact O-N 3.22Å; H2057-L2060 PolarHBondContact O-N 3.12Å; L2060-G2062 VanDerWaalsContact C-N 3.3Å; L2060-G2062 PolarHBondContact O-N 3.44Å; L2060-E2063 PolarHBondContact O-N 2.91Å; L2060-V2064 WeakPolarHBondContact O-CB 3.44Å; L2060-V2064 WeakPolarHBondContact O-CG2 3.45Å; L2060-V2064 PolarHBondContact O-N 3.09Å; L2060-L2070 HydrophobicContact CD2-CD1 3.98Å; L2060-L2070 HydrophobicContact CD2-CD2 4.34Å; L2060-V2110 HydrophobicContact CD1-CG1 4.22Å; L2060-Y2114 HydrophobicContact CD1-CD2 4.27Å; L2060-Y2114 HydrophobicContact CD2-CD2 4.02Å; L2060-A2117 HydrophobicContact CD2-CB 4.04Å |
| 2061 | I | 79.8 | Confident | 78.6 | Confident | 58 Ų | 58 | 34.3 Ų | 34.3 | 30% | 0.297 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 175.5 | -67 | 167 | 0 | 0 | 0 | 111.1 | H2057 K2058 W2059 K2065 | H2057-I2061 VanDerWaalsContact NE2-CD1 3.34Å; H2057-I2061 WeakPolarHBondContact NE2-CD1 3.41Å; H2057-I2061 WeakPolarHBondContact O-CG1 3.46Å; H2057-I2061 PolarHBondContact O-N 3.31Å; H2057-I2061 VanDerWaalsContact O-N 3.07Å; K2058-I2061 PolarHBondContact O-N 3.35Å; W2059-I2061 PolarHBondContact O-N 3.01Å; I2061-K2065 HydrophobicContact CG2-CD 4.34Å; I2061-K2065 VanDerWaalsContact O-CG 3.29Å; I2061-K2065 WeakPolarHBondContact O-CG 3.37Å; I2061-K2065 PolarHBondContact O-N 3.43Å; I2061-K2065 VanDerWaalsContact O-N 3.17Å |
| 2062 | G | 76.9 | Confident | 77.5 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K2058 W2059 L2060 K2065 N2066 | K2058-G2062 PolarHBondContact O-N 3.26Å; W2059-G2062 PolarHBondContact O-N 2.85Å; W2059-G2062 VanDerWaalsContact O-N 3.14Å; L2060-G2062 VanDerWaalsContact C-N 3.3Å; L2060-G2062 PolarHBondContact O-N 3.44Å; G2062-K2065 PolarHBondContact O-N 3.01Å; G2062-N2066 PolarHBondContact O-N 3.34Å; G2062-N2066 VanDerWaalsContact O-N 3.13Å |
| 2063 | E | 77.8 | Confident | 76.2 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -39.2 | -178.4 | -158.7 | 68.7 | -171.2 | 0 | 0 | 111.6 | S1994 K1998 W2059 L2060 K2065 N2066 V2067 I2075 | S1994-E2063 WeakPolarHBondContact CB-OE2 3.4Å; S1994-E2063 VanDerWaalsContact OG-CD 3.3Å; S1994-E2063 PolarHBondContact OG-OE1 2.97Å; S1994-E2063 PolarHBondContact OG-OE2 3.35Å; K1998-E2063 WeakPolarHBondContact CE-OE1 3.22Å; K1998-E2063 IonicContact NZ-OE1 3.36Å; K1998-E2063 PolarHBondContact NZ-OE1 2.78Å; W2059-E2063 HydrophobicContact CZ2-CB 4.47Å; W2059-E2063 HydrophobicContact CZ2-CG 4.24Å; W2059-E2063 WeakPolarHBondContact O-CB 3.28Å; W2059-E2063 PolarHBondContact O-N 3.24Å; L2060-E2063 PolarHBondContact O-N 2.91Å; E2063-K2065 VanDerWaalsContact C-N 3.33Å; E2063-K2065 PolarHBondContact O-N 3.46Å; E2063-N2066 PolarHBondContact O-N 3.4Å; E2063-N2066 VanDerWaalsContact O-N 3.1Å; E2063-V2067 PolarHBondContact O-N 2.83Å; E2063-I2075 HydrophobicContact CG-CD1 4.3Å |
| 2064 | V | 75 | Confident | 74.9 | Confident | 44 Ų | 44 | 42.8 Ų | 42.8 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L2060 N2066 G2068 A2117 | L2060-V2064 WeakPolarHBondContact O-CB 3.44Å; L2060-V2064 WeakPolarHBondContact O-CG2 3.45Å; L2060-V2064 PolarHBondContact O-N 3.09Å; V2064-N2066 PolarHBondContact O-N 3.15Å; V2064-G2068 VanDerWaalsContact O-CA 3.22Å; V2064-G2068 WeakPolarHBondContact O-CA 3.22Å; V2064-G2068 PolarHBondContact O-N 3.17Å; V2064-A2117 VanDerWaalsContact CG2-CA 3.42Å; V2064-A2117 HydrophobicContact CG2-CB 3.26Å |
| 2065 | K | 74.4 | Confident | 73.7 | Confident | 148 Ų | 148 | 42.6 Ų | 42.6 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.9 | -27.4 | 175.6 | -75.1 | 178.3 | 179.8 | -173.5 | 0 | 113 | T1990 I2061 G2062 E2063 | T1990-K2065 HydrophobicContact CG2-CB 4.14Å; T1990-K2065 HydrophobicContact CG2-CD 3.98Å; I2061-K2065 HydrophobicContact CG2-CD 4.34Å; I2061-K2065 VanDerWaalsContact O-CG 3.29Å; I2061-K2065 WeakPolarHBondContact O-CG 3.37Å; I2061-K2065 PolarHBondContact O-N 3.43Å; I2061-K2065 VanDerWaalsContact O-N 3.17Å; G2062-K2065 PolarHBondContact O-N 3.01Å; E2063-K2065 VanDerWaalsContact C-N 3.33Å; E2063-K2065 PolarHBondContact O-N 3.46Å |
| 2066 | N | 76.1 | Confident | 72.7 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 32% | 0.316 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -86.8 | -56.8 | -178.2 | -170.7 | 22.6 | 0 | 0 | 0 | 112.5 | S1994 G2062 E2063 V2064 | S1994-N2066 VanDerWaalsContact CB-ND2 3.31Å; S1994-N2066 WeakPolarHBondContact CB-ND2 3.31Å; S1994-N2066 PolarHBondContact OG-ND2 2.98Å; S1994-N2066 VanDerWaalsContact OG-ND2 3.09Å; G2062-N2066 PolarHBondContact O-N 3.34Å; G2062-N2066 VanDerWaalsContact O-N 3.13Å; E2063-N2066 PolarHBondContact O-N 3.4Å; E2063-N2066 VanDerWaalsContact O-N 3.1Å; V2064-N2066 PolarHBondContact O-N 3.15Å |
| 2067 | V | 71.6 | Confident | 71.9 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -101.6 | -17.1 | -169.8 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | E2063 C2069 | E2063-V2067 PolarHBondContact O-N 2.83Å; V2067-C2069 WeakPolarHBondContact CG1-O 3.4Å; V2067-C2069 PolarHBondContact O-N 3.46Å; V2067-C2069 VanDerWaalsContact O-N 3.15Å |
| 2068 | G | 67.9 | Low | 71.4 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 82.3 | -37.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V2064 | V2064-G2068 VanDerWaalsContact O-CA 3.22Å; V2064-G2068 WeakPolarHBondContact O-CA 3.22Å; V2064-G2068 PolarHBondContact O-N 3.17Å |
| 2069 | C | 69.4 | Low | 71.1 | Confident | 56 Ų | 56 | 45.8 Ų | 45.8 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -144.7 | 159.5 | 173.8 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | V2067 D2071 A2117 C2119 | V2067-C2069 WeakPolarHBondContact CG1-O 3.4Å; V2067-C2069 PolarHBondContact O-N 3.46Å; V2067-C2069 VanDerWaalsContact O-N 3.15Å; C2069-D2071 PolarHBondContact O-N 2.94Å; C2069-A2117 CarbonylContact C-O 3.6Å; C2069-A2117 WeakPolarHBondContact CA-O 3.47Å; C2069-C2119 HydrophobicContact CB-CB 4.14Å |
| 2070 | L | 70.6 | Confident | 70.6 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | trans | -76.9 | 110.2 | 175.6 | -76.1 | 165.9 | 0 | 0 | 0 | 110.2 | W2059 L2060 I2075 Y2114 A2117 I2118 | W2059-L2070 HydrophobicContact CH2-CD2 3.98Å; W2059-L2070 HydrophobicContact CZ3-CD2 4.22Å; L2060-L2070 HydrophobicContact CD2-CD1 3.98Å; L2060-L2070 HydrophobicContact CD2-CD2 4.34Å; L2070-I2075 HydrophobicContact CD2-CD1 4.29Å; L2070-Y2114 HydrophobicContact CD1-CD2 4.01Å; L2070-Y2114 HydrophobicContact CD1-CE2 3.82Å; L2070-A2117 HydrophobicContact CD1-CB 3.38Å; L2070-A2117 HydrophobicContact CG-CB 3.64Å; L2070-A2117 PolarHBondContact N-O 3.26Å; L2070-I2118 HydrophobicContact CD1-CG1 4.23Å | ||
| 2071 | D | 65.4 | Low | 70.4 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | trans | -93.5 | 120.1 | 173.8 | 177.4 | 12.1 | 0 | 0 | 0 | 111.4 | C2069 A2073 S2074 | C2069-D2071 PolarHBondContact O-N 2.94Å; D2071-A2073 PolarHBondContact O-N 3.36Å; D2071-A2073 WeakPolarHBondContact OD1-CB 3.42Å; D2071-A2073 PolarHBondContact OD1-N 2.92Å; D2071-S2074 PolarHBondContact O-N 3.27Å; D2071-S2074 PolarHBondContact O-OG 3.01Å | ||
| 2072 | A | 57.5 | Low | 70.5 | Confident | 29 Ų | 29 | 51 Ų | 51 | 24% | 0.24 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -27.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y2124 | A2072-Y2124 WeakPolarHBondContact CA-OH 3.31Å; A2072-Y2124 HydrophobicContact CB-CE2 4.2Å; A2072-Y2124 WeakPolarHBondContact CB-OH 3.22Å; A2072-Y2124 PolarHBondContact N-OH 3.31Å; A2072-Y2124 VanDerWaalsContact N-OH 3.12Å |
| 2073 | A | 58.7 | Low | 70.7 | Confident | 90 Ų | 90 | 50.6 Ų | 50.6 | 74% | 0.744 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -78.9 | -28.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | D2071 | D2071-A2073 PolarHBondContact O-N 3.36Å; D2071-A2073 WeakPolarHBondContact OD1-CB 3.42Å; D2071-A2073 PolarHBondContact OD1-N 2.92Å |
| 2074 | S | 58.3 | Low | 70.8 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 47% | 0.469 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -93.2 | -24 | -169.2 | 63.4 | 0 | 0 | 0 | 0 | 114.8 | D2071 | D2071-S2074 PolarHBondContact O-N 3.27Å; D2071-S2074 PolarHBondContact O-OG 3.01Å |
| 2075 | I | 58.7 | Low | 71.1 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -112.9 | -9.8 | -169 | -57.2 | 154.1 | 0 | 0 | 0 | 113 | W2059 E2063 L2070 V2079 | W2059-I2075 HydrophobicContact CH2-CG2 4.16Å; W2059-I2075 HydrophobicContact CZ2-CG2 4.06Å; E2063-I2075 HydrophobicContact CG-CD1 4.3Å; L2070-I2075 HydrophobicContact CD2-CD1 4.29Å; I2075-V2079 HydrophobicContact CB-CG2 3.79Å; I2075-V2079 HydrophobicContact CG2-CG2 3.4Å |
| 2076 | G | 65.2 | Low | 71.5 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | trans | 101.5 | 168.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116 | S2078 V2079 | G2076-S2078 PolarHBondContact O-N 2.88Å; G2076-V2079 PolarHBondContact O-N 2.89Å | ||
| 2077 | E | 68.2 | Low | 71.9 | Confident | 142 Ų | 142 | 41 Ų | 41 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.8 | -173.3 | -67.4 | 179 | 169.8 | 0 | 0 | 114.2 | Y2081 | E2077-Y2081 WeakPolarHBondContact O-CD2 3.46Å; E2077-Y2081 WeakPolarHBondContact O-CE2 3.38Å |
| 2078 | S | 75.9 | Confident | 72.2 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -29.4 | -176.6 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | D2004 G2076 Q2080 Y2081 | D2004-S2078 WeakPolarHBondContact OD1-CB 3.47Å; D2004-S2078 PolarHBondContact OD1-OG 3.06Å; G2076-S2078 PolarHBondContact O-N 2.88Å; S2078-Q2080 PolarHBondContact O-N 3.19Å; S2078-Y2081 PolarHBondContact O-N 3.03Å |
| 2079 | V | 76.4 | Confident | 72.8 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -61 | -35.8 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | V2003 I2075 G2076 Y2081 I2082 Y2124 | V2003-V2079 HydrophobicContact CG1-CG2 4.27Å; I2075-V2079 HydrophobicContact CB-CG2 3.79Å; I2075-V2079 HydrophobicContact CG2-CG2 3.4Å; G2076-V2079 PolarHBondContact O-N 2.89Å; V2079-Y2081 PolarHBondContact O-N 3.31Å; V2079-I2082 HydrophobicContact CB-CD1 4.36Å; V2079-I2082 HydrophobicContact CG1-CD1 4.01Å; V2079-I2082 WeakPolarHBondContact O-CB 3.42Å; V2079-I2082 WeakPolarHBondContact O-CG1 3.48Å; V2079-I2082 PolarHBondContact O-N 3.47Å; V2079-I2082 VanDerWaalsContact O-N 3.09Å; V2079-Y2124 HydrophobicContact CG1-CE1 3.82Å |
| 2080 | Q | 76.3 | Confident | 73.1 | Confident | 98 Ų | 98 | 33.9 Ų | 33.9 | 46% | 0.458 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -63.6 | -22.7 | 177.9 | -63.5 | -178.8 | -5.3 | 0 | 0 | 112.9 | S2078 Y2124 | S2078-Q2080 PolarHBondContact O-N 3.19Å; Q2080-Y2124 HydrophobicContact CG-CE1 4.36Å |
| 2081 | Y | 77.8 | Confident | 73.1 | Confident | 69 Ų | 69 | 35.5 Ų | 35.5 | 27% | 0.271 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -86.5 | -17 | 177.6 | -57.2 | -51.3 | 0 | 0 | 0 | 113.2 | F2018 E2077 S2078 V2079 S2084 V2085 | F2018-Y2081 AromaticContact CE1-CD1 3.56Å; F2018-Y2081 HydrophobicContact CE1-CD1 3.56Å; F2018-Y2081 HydrophobicContact CE1-CD2 4.42Å; F2018-Y2081 AromaticContact CE1-CE1 3.3Å; F2018-Y2081 HydrophobicContact CE1-CE1 3.3Å; F2018-Y2081 HydrophobicContact CE1-CE2 4.2Å; F2018-Y2081 HydrophobicContact CE1-CG 4.14Å; F2018-Y2081 AromaticContact CE1-CZ 3.65Å; F2018-Y2081 HydrophobicContact CE2-CD1 4.47Å; F2018-Y2081 AromaticContact CZ-CD1 3.37Å; F2018-Y2081 HydrophobicContact CZ-CD1 3.37Å; F2018-Y2081 AromaticContact CZ-CE1 3.35Å; F2018-Y2081 HydrophobicContact CZ-CE1 3.35Å; F2018-Y2081 HydrophobicContact CZ-CG 4.24Å; E2077-Y2081 WeakPolarHBondContact O-CD2 3.46Å; E2077-Y2081 WeakPolarHBondContact O-CE2 3.38Å; S2078-Y2081 PolarHBondContact O-N 3.03Å; V2079-Y2081 PolarHBondContact O-N 3.31Å; Y2081-S2084 PolarHBondContact O-N 3.09Å; Y2081-S2084 PolarHBondContact O-OG 3.44Å; Y2081-V2085 WeakPolarHBondContact O-CB 3.39Å; Y2081-V2085 VanDerWaalsContact O-CG2 3.27Å; Y2081-V2085 WeakPolarHBondContact O-CG2 3.43Å; Y2081-V2085 PolarHBondContact O-N 3.35Å |
| 2082 | I | 82.5 | Confident | 73.3 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.7 | -50.9 | -177.2 | -65.4 | 173.6 | 0 | 0 | 0 | 111.9 | V2003 V2007 L2056 V2079 S2084 V2085 L2086 Y2114 | V2003-I2082 HydrophobicContact CG1-CD1 3.85Å; V2003-I2082 HydrophobicContact CG1-CG1 4.41Å; V2007-I2082 HydrophobicContact CG2-CG1 3.75Å; L2056-I2082 HydrophobicContact CD2-CG2 4.36Å; V2079-I2082 HydrophobicContact CB-CD1 4.36Å; V2079-I2082 HydrophobicContact CG1-CD1 4.01Å; V2079-I2082 WeakPolarHBondContact O-CB 3.42Å; V2079-I2082 WeakPolarHBondContact O-CG1 3.48Å; V2079-I2082 PolarHBondContact O-N 3.47Å; V2079-I2082 VanDerWaalsContact O-N 3.09Å; I2082-S2084 PolarHBondContact O-N 3.24Å; I2082-V2085 PolarHBondContact O-N 3.16Å; I2082-L2086 WeakPolarHBondContact O-CB 3.24Å; I2082-L2086 PolarHBondContact O-N 3.36Å; I2082-Y2114 HydrophobicContact CB-CE2 4.37Å; I2082-Y2114 HydrophobicContact CG2-CD2 4.2Å; I2082-Y2114 HydrophobicContact CG2-CE2 3.99Å |
| 2083 | P | 80.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.3 | -53.6 | 179.4 | -26 | 33.4 | 0 | 0 | 0 | 113.1 | V2085 I2087 Y2114 P2127 L2128 | P2083-V2085 VanDerWaalsContact C-N 3.3Å; P2083-V2085 PolarHBondContact O-N 2.82Å; P2083-I2087 WeakPolarHBondContact O-CB 3.27Å; P2083-I2087 WeakPolarHBondContact O-CD1 3.06Å; P2083-I2087 WeakPolarHBondContact O-CG1 3.46Å; P2083-I2087 PolarHBondContact O-N 3.02Å; P2083-I2087 VanDerWaalsContact O-N 3.08Å; P2083-Y2114 WeakPolarHBondContact CD-OH 3.4Å; P2083-Y2114 HydrophobicContact CG-CE1 3.81Å; P2083-Y2114 WeakPolarHBondContact CG-OH 3.43Å; P2083-P2127 HydrophobicContact CB-CB 4.35Å; P2083-P2127 HydrophobicContact CG-CB 4.5Å; P2083-L2128 HydrophobicContact CB-CB 3.89Å; P2083-L2128 HydrophobicContact CB-CD1 3.88Å |
| 2084 | S | 80.2 | Confident | 73.4 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.2 | -37.1 | -174.2 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | Y2081 I2082 G2088 | Y2081-S2084 PolarHBondContact O-N 3.09Å; Y2081-S2084 PolarHBondContact O-OG 3.44Å; I2082-S2084 PolarHBondContact O-N 3.24Å; S2084-G2088 PolarHBondContact O-N 3.19Å |
| 2085 | V | 81.6 | Confident | 73 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -85 | -38 | -175.6 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | F2010 I2011 Y2081 I2082 P2083 G2088 L2089 | F2010-V2085 VanDerWaalsContact C-CG1 3.46Å; F2010-V2085 HydrophobicContact CB-CB 4.4Å; F2010-V2085 HydrophobicContact CB-CG1 3.19Å; F2010-V2085 HydrophobicContact CD2-CG1 4.45Å; F2010-V2085 HydrophobicContact CG-CG1 4.34Å; I2011-V2085 HydrophobicContact CD1-CG2 4.48Å; I2011-V2085 HydrophobicContact CG1-CG1 3.86Å; I2011-V2085 HydrophobicContact CG1-CG2 3.83Å; Y2081-V2085 WeakPolarHBondContact O-CB 3.39Å; Y2081-V2085 VanDerWaalsContact O-CG2 3.27Å; Y2081-V2085 WeakPolarHBondContact O-CG2 3.43Å; Y2081-V2085 PolarHBondContact O-N 3.35Å; I2082-V2085 PolarHBondContact O-N 3.16Å; P2083-V2085 VanDerWaalsContact C-N 3.3Å; P2083-V2085 PolarHBondContact O-N 2.82Å; V2085-G2088 PolarHBondContact O-N 3.37Å; V2085-L2089 PolarHBondContact O-N 3Å |
| 2086 | L | 83.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 174.5 | -179.6 | 71 | 0 | 0 | 0 | 111 | F2010 L2053 I2082 G2088 L2089 I2107 V2110 L2111 | F2010-L2086 HydrophobicContact CE2-CD1 4.18Å; L2053-L2086 HydrophobicContact CD2-CD1 3.52Å; I2082-L2086 WeakPolarHBondContact O-CB 3.24Å; I2082-L2086 PolarHBondContact O-N 3.36Å; L2086-G2088 VanDerWaalsContact C-N 3.3Å; L2086-G2088 PolarHBondContact O-N 3.39Å; L2086-L2089 HydrophobicContact CD1-CD1 4.35Å; L2086-L2089 VanDerWaalsContact O-CB 3.3Å; L2086-L2089 WeakPolarHBondContact O-CB 3.39Å; L2086-L2089 WeakPolarHBondContact O-CG 3.22Å; L2086-L2089 PolarHBondContact O-N 3.16Å; L2086-I2107 HydrophobicContact CD1-CG2 4.36Å; L2086-I2107 HydrophobicContact CD2-CG2 4.24Å; L2086-I2107 HydrophobicContact CG-CG2 4.07Å; L2086-V2110 HydrophobicContact CD1-CG1 4.07Å; L2086-V2110 HydrophobicContact CD2-CG1 4.22Å; L2086-L2111 HydrophobicContact CD2-CD1 4.47Å |
| 2087 | I | 83.2 | Confident | 71.8 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -34.7 | 176.6 | -65.7 | 160.4 | 0 | 0 | 0 | 110.6 | P2083 L2089 L2090 L2128 A2131 L2132 R2135 | P2083-I2087 WeakPolarHBondContact O-CB 3.27Å; P2083-I2087 WeakPolarHBondContact O-CD1 3.06Å; P2083-I2087 WeakPolarHBondContact O-CG1 3.46Å; P2083-I2087 PolarHBondContact O-N 3.02Å; P2083-I2087 VanDerWaalsContact O-N 3.08Å; I2087-L2089 PolarHBondContact O-N 3.31Å; I2087-L2089 VanDerWaalsContact O-N 3.09Å; I2087-L2090 HydrophobicContact CG2-CD1 4.12Å; I2087-L2090 WeakPolarHBondContact O-CB 3.3Å; I2087-L2090 WeakPolarHBondContact O-CG 3.33Å; I2087-L2090 PolarHBondContact O-N 3.24Å; I2087-L2128 HydrophobicContact CD1-CD1 3.41Å; I2087-L2128 VanDerWaalsContact CD1-CD1 3.41Å; I2087-L2128 HydrophobicContact CD1-CG 4.03Å; I2087-L2128 WeakPolarHBondContact CD1-O 3.35Å; I2087-L2128 HydrophobicContact CG1-CD1 4.21Å; I2087-A2131 HydrophobicContact CB-CB 4.28Å; I2087-A2131 HydrophobicContact CD1-CB 3.7Å; I2087-A2131 HydrophobicContact CG2-CB 4.39Å; I2087-L2132 HydrophobicContact CD1-CD1 4.38Å; I2087-L2132 HydrophobicContact CD1-CD2 3.89Å; I2087-L2132 HydrophobicContact CD1-CG 3.6Å; I2087-L2132 HydrophobicContact CG1-CD2 3.99Å; I2087-L2132 HydrophobicContact CG1-CG 4.28Å; I2087-L2132 HydrophobicContact CG2-CD2 3.85Å; I2087-L2132 HydrophobicContact CG2-CG 4.44Å; I2087-R2135 HydrophobicContact CG2-CG 4.13Å |
| 2088 | G | 78.1 | Confident | 71.1 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55 | -26.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V2014 S2084 V2085 L2086 L2090 D2091 | V2014-G2088 WeakPolarHBondContact CG2-O 3.2Å; S2084-G2088 PolarHBondContact O-N 3.19Å; V2085-G2088 PolarHBondContact O-N 3.37Å; L2086-G2088 VanDerWaalsContact C-N 3.3Å; L2086-G2088 PolarHBondContact O-N 3.39Å; G2088-L2090 PolarHBondContact O-N 3.38Å; G2088-L2090 VanDerWaalsContact O-N 3.13Å; G2088-D2091 WeakPolarHBondContact O-CB 3.34Å; G2088-D2091 PolarHBondContact O-N 2.8Å |
| 2089 | L | 80.1 | Confident | 70.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -58.8 | -23.3 | 176.8 | -64.7 | 175.7 | 0 | 0 | 0 | 113.5 | F2010 A2013 V2014 I2049 L2053 V2085 L2086 I2087 D2091 I2092 I2102 I2107 | F2010-L2089 HydrophobicContact CB-CD2 3.96Å; F2010-L2089 HydrophobicContact CB-CG 4.46Å; F2010-L2089 HydrophobicContact CD1-CD1 3.8Å; F2010-L2089 HydrophobicContact CD1-CD2 3.92Å; F2010-L2089 HydrophobicContact CD1-CG 4.37Å; F2010-L2089 HydrophobicContact CD2-CD1 4.33Å; F2010-L2089 HydrophobicContact CE1-CD1 3.83Å; F2010-L2089 HydrophobicContact CE2-CD1 4.37Å; F2010-L2089 HydrophobicContact CG-CD1 4.06Å; F2010-L2089 HydrophobicContact CG-CD2 4.13Å; F2010-L2089 HydrophobicContact CG-CG 4.39Å; F2010-L2089 HydrophobicContact CZ-CD1 4.15Å; A2013-L2089 HydrophobicContact CB-CD2 4.06Å; V2014-L2089 HydrophobicContact CG2-CD2 4.32Å; I2049-L2089 HydrophobicContact CD1-CD2 4.2Å; I2049-L2089 HydrophobicContact CG2-CD1 4.09Å; I2049-L2089 HydrophobicContact CG2-CD2 4.36Å; L2053-L2089 HydrophobicContact CD2-CD1 4.14Å; V2085-L2089 PolarHBondContact O-N 3Å; L2086-L2089 HydrophobicContact CD1-CD1 4.35Å; L2086-L2089 VanDerWaalsContact O-CB 3.3Å; L2086-L2089 WeakPolarHBondContact O-CB 3.39Å; L2086-L2089 WeakPolarHBondContact O-CG 3.22Å; L2086-L2089 PolarHBondContact O-N 3.16Å; I2087-L2089 PolarHBondContact O-N 3.31Å; I2087-L2089 VanDerWaalsContact O-N 3.09Å; L2089-D2091 PolarHBondContact O-N 3.46Å; L2089-I2092 HydrophobicContact CB-CD1 4.34Å; L2089-I2092 HydrophobicContact CD2-CD1 3.71Å; L2089-I2092 WeakPolarHBondContact O-CB 2.97Å; L2089-I2092 WeakPolarHBondContact O-CG1 3.45Å; L2089-I2092 PolarHBondContact O-N 2.87Å; L2089-I2102 HydrophobicContact CB-CD1 3.97Å; L2089-I2102 HydrophobicContact CD2-CD1 4.28Å; L2089-I2107 HydrophobicContact CB-CD1 4.44Å |
| 2090 | L | 76.5 | Confident | 69.4 | Low | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -61.8 | -31.2 | 175.1 | -64.5 | 170.8 | 0 | 0 | 0 | 112.1 | I2087 G2088 I2092 I2107 T2144 A2147 A2148 L2151 | I2087-L2090 HydrophobicContact CG2-CD1 4.12Å; I2087-L2090 WeakPolarHBondContact O-CB 3.3Å; I2087-L2090 WeakPolarHBondContact O-CG 3.33Å; I2087-L2090 PolarHBondContact O-N 3.24Å; G2088-L2090 PolarHBondContact O-N 3.38Å; G2088-L2090 VanDerWaalsContact O-N 3.13Å; L2090-I2092 PolarHBondContact O-N 3.21Å; L2090-I2092 VanDerWaalsContact O-N 3.08Å; L2090-I2107 HydrophobicContact CD2-CD1 3.7Å; L2090-I2107 HydrophobicContact CG-CD1 4.01Å; L2090-T2144 HydrophobicContact CB-CG2 4.38Å; L2090-T2144 WeakPolarHBondContact O-CG2 3.14Å; L2090-A2147 HydrophobicContact CD1-CB 4.44Å; L2090-A2147 HydrophobicContact CD2-CB 3.87Å; L2090-A2148 HydrophobicContact CD1-CB 4.4Å; L2090-L2151 HydrophobicContact CD1-CD1 3.66Å; L2090-L2151 HydrophobicContact CD2-CD1 4.1Å; L2090-L2151 HydrophobicContact CG-CD1 4.32Å |
| 2091 | D | 70.9 | Confident | 68.8 | Low | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -63.5 | -15.4 | -179.9 | -74.3 | -12.8 | 0 | 0 | 0 | 113.6 | G2088 L2089 S2093 R2135 | G2088-D2091 WeakPolarHBondContact O-CB 3.34Å; G2088-D2091 PolarHBondContact O-N 2.8Å; L2089-D2091 PolarHBondContact O-N 3.46Å; D2091-S2093 VanDerWaalsContact C-N 3.32Å; D2091-S2093 PolarHBondContact O-N 3.28Å; D2091-R2135 VanDerWaalsContact CG-CZ 3.41Å; D2091-R2135 VanDerWaalsContact CG-NH1 3.27Å; D2091-R2135 VanDerWaalsContact OD1-CD 3.27Å; D2091-R2135 WeakPolarHBondContact OD1-CD 3.17Å; D2091-R2135 IonicContact OD1-CZ 3.67Å; D2091-R2135 IonicContact OD1-NE 3.75Å; D2091-R2135 IonicContact OD1-NH1 2.95Å; D2091-R2135 PolarHBondContact OD1-NH1 2.87Å; D2091-R2135 VanDerWaalsContact OD1-NH1 3.12Å; D2091-R2135 IonicContact OD1-NH2 3.94Å; D2091-R2135 IonicContact OD2-CZ 3.58Å; D2091-R2135 IonicContact OD2-NE 2.92Å; D2091-R2135 IonicContact OD2-NH1 3.75Å; D2091-R2135 PolarHBondContact OD2-NH1 3.42Å; D2091-R2135 IonicContact OD2-NH2 3.56Å; D2091-R2135 PolarHBondContact OD2-NH2 3.48Å |
| 2092 | I | 69.5 | Low | 68.5 | Low | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.087 | 26% | 0.262 | C | S | . | . | trans | -72.1 | 89.4 | -173.6 | -58.3 | 170.3 | 0 | 0 | 0 | 108.9 | A2013 A2041 L2046 I2049 L2089 L2090 I2102 | A2013-I2092 HydrophobicContact CB-CD1 3.59Å; A2041-I2092 HydrophobicContact CB-CG2 4.1Å; L2046-I2092 HydrophobicContact CD1-CG2 4.22Å; I2049-I2092 HydrophobicContact CD1-CD1 3.98Å; L2089-I2092 HydrophobicContact CB-CD1 4.34Å; L2089-I2092 HydrophobicContact CD2-CD1 3.71Å; L2089-I2092 WeakPolarHBondContact O-CB 2.97Å; L2089-I2092 WeakPolarHBondContact O-CG1 3.45Å; L2089-I2092 PolarHBondContact O-N 2.87Å; L2090-I2092 PolarHBondContact O-N 3.21Å; L2090-I2092 VanDerWaalsContact O-N 3.08Å; I2092-I2102 HydrophobicContact CD1-CD1 3.86Å | ||
| 2093 | S | 59 | Low | 68 | Low | 69 Ų | 69 | 44.8 Ų | 44.8 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | trans | -100.5 | 105.4 | 170.6 | 48.4 | 0 | 0 | 0 | 0 | 108.9 | D2091 P2095 | D2091-S2093 VanDerWaalsContact C-N 3.32Å; D2091-S2093 PolarHBondContact O-N 3.28Å; S2093-P2095 WeakPolarHBondContact O-CD 3.48Å | ||
| 2094 | C | 58.7 | Low | 67.8 | Low | 40 Ų | 40 | 46.4 Ų | 46.4 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | trans | -93.6 | 107.3 | 178 | -125.3 | 0 | 0 | 0 | 0 | 109.6 | A2041 S2096 S2097 | A2041-C2094 PolarHBondContact O-SG 3.48Å; A2041-C2094 VanDerWaalsContact O-SG 3.39Å; C2094-S2096 VanDerWaalsContact C-N 3.26Å; C2094-S2096 PolarHBondContact O-N 3.06Å; C2094-S2097 WeakPolarHBondContact CB-OG 3.32Å | ||
| 2095 | P | 51.2 | Low | 67.8 | Low | 133 Ų | 133 | 49.6 Ų | 49.6 | 86% | 0.864 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -73.6 | -11.5 | -179.1 | 26 | -32.4 | 0 | 0 | 0 | 114.3 | S2093 | S2093-P2095 WeakPolarHBondContact O-CD 3.48Š|
| 2096 | S | 48.2 | Very low | 67.6 | Low | 113 Ų | 113 | 51.3 Ų | 51.3 | 79% | 0.79 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -133.7 | 13.6 | -167.4 | 58.2 | 0 | 0 | 0 | 0 | 116.8 | C2094 | C2094-S2096 VanDerWaalsContact C-N 3.26Å; C2094-S2096 PolarHBondContact O-N 3.06Å |
| 2097 | S | 50.7 | Low | 67.6 | Low | 37 Ų | 37 | 51.3 Ų | 51.3 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | trans | -121.8 | 136.5 | -180 | 73 | 0 | 0 | 0 | 0 | 113.6 | C2094 V2099 | C2094-S2097 WeakPolarHBondContact CB-OG 3.32Å; S2097-V2099 PolarHBondContact O-N 3.13Å; S2097-V2099 VanDerWaalsContact O-N 3.12Å | ||
| 2098 | H | 53.2 | Low | 67.6 | Low | 194 Ų | 194 | 53.7 Ų | 53.7 | 90% | 0.898 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -69.7 | 5.1 | 173.3 | -75 | -71.8 | 0 | 0 | 0 | 114.7 | ||
| 2099 | V | 54.4 | Low | 67.8 | Low | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -77.3 | 130 | 173.5 | -164.9 | 0 | 0 | 0 | 0 | 108.1 | I1910 L2046 S2097 | I1910-V2099 HydrophobicContact CD1-CB 3.87Å; I1910-V2099 HydrophobicContact CD1-CG1 3.47Å; I1910-V2099 VanDerWaalsContact CD1-CG1 3.47Å; I1910-V2099 HydrophobicContact CD1-CG2 3.25Å; L2046-V2099 HydrophobicContact CB-CG1 3.86Å; L2046-V2099 HydrophobicContact CD2-CB 3.99Å; L2046-V2099 HydrophobicContact CD2-CG1 3.4Å; L2046-V2099 HydrophobicContact CG-CG1 4.22Å; S2097-V2099 PolarHBondContact O-N 3.13Å; S2097-V2099 VanDerWaalsContact O-N 3.12Å |
| 2100 | P | 61 | Low | 68 | Low | 83 Ų | 83 | 58.9 Ų | 58.9 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 131 | 175.5 | 23.5 | -32.2 | 0 | 0 | 0 | 109 | L2046 | L2046-P2100 WeakPolarHBondContact CD2-O 3.5Š|
| 2101 | P | 64.6 | Low | 68.3 | Low | 79 Ų | 79 | 58.3 Ų | 58.3 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 150.6 | 173.5 | 26.2 | -33.2 | 0 | 0 | 0 | 109.6 | S2103 | P2101-S2103 PolarHBondContact O-N 3.3Å; P2101-S2103 VanDerWaalsContact O-N 3.09Å |
| 2102 | I | 70.9 | Confident | 68.7 | Low | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 118 | 179.2 | -61 | 166.8 | 0 | 0 | 0 | 108 | L2046 I2049 L2089 I2092 D2106 I2107 | L2046-I2102 HydrophobicContact CD2-CG1 4.45Å; I2049-I2102 HydrophobicContact CB-CD1 4.45Å; I2049-I2102 HydrophobicContact CD1-CD1 3.87Å; I2049-I2102 HydrophobicContact CG2-CD1 3.64Å; I2049-I2102 HydrophobicContact CG2-CG1 4.44Å; L2089-I2102 HydrophobicContact CB-CD1 3.97Å; L2089-I2102 HydrophobicContact CD2-CD1 4.28Å; I2092-I2102 HydrophobicContact CD1-CD1 3.86Å; I2102-D2106 HydrophobicContact CG2-CB 4.39Å; I2102-I2107 HydrophobicContact CG2-CD1 3.95Å; I2102-I2107 HydrophobicContact CG2-CG1 4.02Å |
| 2103 | S | 73.2 | Confident | 69.3 | Low | 44 Ų | 44 | 56.6 Ų | 56.6 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 163.9 | -178.5 | 70 | 0 | 0 | 0 | 0 | 110.6 | P2101 I2105 D2106 | P2101-S2103 PolarHBondContact O-N 3.3Å; P2101-S2103 VanDerWaalsContact O-N 3.09Å; S2103-I2105 PolarHBondContact O-N 3.49Å; S2103-I2105 PolarHBondContact OG-N 3.2Å; S2103-D2106 PolarHBondContact N-OD2 3.09Å; S2103-D2106 VanDerWaalsContact N-OD2 3.09Å; S2103-D2106 PolarHBondContact O-N 3.09Å; S2103-D2106 PolarHBondContact OG-OD2 3.06Å |
| 2104 | E | 74.8 | Confident | 70.5 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56 | -31.8 | 171.9 | 69.9 | -163.9 | -179.9 | 0 | 0 | 112.5 | D2106 I2107 Q2108 A2147 R2150 L2151 | E2104-D2106 VanDerWaalsContact C-N 3.35Å; E2104-D2106 PolarHBondContact O-N 2.77Å; E2104-I2107 PolarHBondContact O-N 3.03Å; E2104-I2107 VanDerWaalsContact O-N 3.16Å; E2104-Q2108 VanDerWaalsContact O-CG 3.29Å; E2104-Q2108 WeakPolarHBondContact O-CG 3.36Å; E2104-Q2108 PolarHBondContact O-N 3.08Å; E2104-A2147 HydrophobicContact CB-CB 4.47Å; E2104-R2150 VanDerWaalsContact CD-CD 3.47Å; E2104-R2150 VanDerWaalsContact OE1-CD 3.31Å; E2104-R2150 WeakPolarHBondContact OE1-CD 3.37Å; E2104-R2150 IonicContact OE1-CZ 2.91Å; E2104-R2150 IonicContact OE1-NE 2.73Å; E2104-R2150 IonicContact OE1-NH1 2.67Å; E2104-R2150 PolarHBondContact OE1-NH1 2.68Å; E2104-R2150 WeakPolarHBondContact OE2-CB 3.48Å; E2104-R2150 WeakPolarHBondContact OE2-CD 3.42Å; E2104-R2150 IonicContact OE2-NH1 3.35Å; E2104-L2151 HydrophobicContact CB-CD2 4.27Å; E2104-L2151 HydrophobicContact CB-CG 4.19Å |
| 2105 | I | 80.3 | Confident | 71.4 | Confident | 106 Ų | 106 | 52.5 Ų | 52.5 | 54% | 0.544 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | -177.1 | -54.3 | 170.3 | 0 | 0 | 0 | 110.5 | S2103 I2107 Q2108 | S2103-I2105 PolarHBondContact O-N 3.49Å; S2103-I2105 PolarHBondContact OG-N 3.2Å; I2105-I2107 PolarHBondContact O-N 3.26Å; I2105-Q2108 PolarHBondContact O-N 3.09Å |
| 2106 | D | 77.2 | Confident | 72.6 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -26.7 | 178.2 | -60 | -69.7 | 0 | 0 | 0 | 112.2 | H2050 L2053 I2102 S2103 E2104 | H2050-D2106 IonicContact CE1-OD1 2.71Å; H2050-D2106 PolarHBondContact CE1-OD1 3.48Å; H2050-D2106 IonicContact CE1-OD2 2.71Å; H2050-D2106 IonicContact ND1-OD1 2.99Å; L2053-D2106 HydrophobicContact CD1-CB 4.43Å; I2102-D2106 HydrophobicContact CG2-CB 4.39Å; S2103-D2106 PolarHBondContact N-OD2 3.09Å; S2103-D2106 VanDerWaalsContact N-OD2 3.09Å; S2103-D2106 PolarHBondContact O-N 3.09Å; S2103-D2106 PolarHBondContact OG-OD2 3.06Å; E2104-D2106 VanDerWaalsContact C-N 3.35Å; E2104-D2106 PolarHBondContact O-N 2.77Å |
| 2107 | I | 84 | Confident | 73.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -89.9 | -30.6 | -179.8 | -62 | 174.8 | 0 | 0 | 0 | 111 | L2086 L2089 L2090 I2102 E2104 I2105 D2109 V2110 L2111 L2151 | L2086-I2107 HydrophobicContact CD1-CG2 4.36Å; L2086-I2107 HydrophobicContact CD2-CG2 4.24Å; L2086-I2107 HydrophobicContact CG-CG2 4.07Å; L2089-I2107 HydrophobicContact CB-CD1 4.44Å; L2090-I2107 HydrophobicContact CD2-CD1 3.7Å; L2090-I2107 HydrophobicContact CG-CD1 4.01Å; I2102-I2107 HydrophobicContact CG2-CD1 3.95Å; I2102-I2107 HydrophobicContact CG2-CG1 4.02Å; E2104-I2107 PolarHBondContact O-N 3.03Å; E2104-I2107 VanDerWaalsContact O-N 3.16Å; I2105-I2107 PolarHBondContact O-N 3.26Å; I2107-D2109 PolarHBondContact O-N 3.34Å; I2107-V2110 PolarHBondContact O-N 3.12Å; I2107-L2111 HydrophobicContact CG2-CB 4.27Å; I2107-L2111 WeakPolarHBondContact O-CB 3.1Å; I2107-L2111 PolarHBondContact O-N 3.49Å; I2107-L2151 HydrophobicContact CB-CD2 4.42Å; I2107-L2151 HydrophobicContact CG2-CD1 4.26Å; I2107-L2151 HydrophobicContact CG2-CD2 4.23Å |
| 2108 | Q | 84.1 | Confident | 75.1 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.8 | -46.6 | -176.4 | -86.1 | 170.6 | -3 | 0 | 0 | 113.4 | E2104 I2105 V2110 L2111 G2112 L2151 F2154 | E2104-Q2108 VanDerWaalsContact O-CG 3.29Å; E2104-Q2108 WeakPolarHBondContact O-CG 3.36Å; E2104-Q2108 PolarHBondContact O-N 3.08Å; I2105-Q2108 PolarHBondContact O-N 3.09Å; Q2108-V2110 PolarHBondContact O-N 2.75Å; Q2108-L2111 PolarHBondContact O-N 3.35Å; Q2108-G2112 PolarHBondContact O-N 3Å; Q2108-L2151 HydrophobicContact CG-CD2 3.95Å; Q2108-F2154 HydrophobicContact CG-CD2 4.22Å; Q2108-F2154 HydrophobicContact CG-CE2 4.49Å; Q2108-F2154 HydrophobicContact CG-CG 4.26Å |
| 2109 | D | 82.1 | Confident | 75.8 | Confident | 108 Ų | 108 | 37.2 Ų | 37.2 | 58% | 0.578 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64 | -41.3 | -179 | -68.6 | -25.2 | 0 | 0 | 0 | 112.5 | H2057 I2107 S2113 | H2057-D2109 PolarHBondContact CE1-O 2.91Å; H2057-D2109 PolarHBondContact ND1-O 2.82Å; I2107-D2109 PolarHBondContact O-N 3.34Å; D2109-S2113 WeakPolarHBondContact O-CB 3.25Å; D2109-S2113 PolarHBondContact O-N 3.02Å; D2109-S2113 VanDerWaalsContact O-N 3.16Å; D2109-S2113 PolarHBondContact O-OG 2.8Å |
| 2110 | V | 84 | Confident | 76.3 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -44.4 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | L2053 L2056 H2057 L2060 L2086 I2107 Q2108 S2113 Y2114 | L2053-V2110 HydrophobicContact CB-CG2 4.04Å; L2053-V2110 HydrophobicContact CD2-CB 4.49Å; L2053-V2110 HydrophobicContact CD2-CG2 3.9Å; L2053-V2110 WeakPolarHBondContact O-CG2 3.43Å; L2056-V2110 HydrophobicContact CB-CG1 4.4Å; L2056-V2110 HydrophobicContact CD2-CG1 3.63Å; L2056-V2110 HydrophobicContact CG-CG1 3.91Å; H2057-V2110 HydrophobicContact CB-CG2 4.03Å; L2060-V2110 HydrophobicContact CD1-CG1 4.22Å; L2086-V2110 HydrophobicContact CD1-CG1 4.07Å; L2086-V2110 HydrophobicContact CD2-CG1 4.22Å; I2107-V2110 PolarHBondContact O-N 3.12Å; Q2108-V2110 PolarHBondContact O-N 2.75Å; V2110-S2113 PolarHBondContact O-N 3.12Å; V2110-Y2114 VanDerWaalsContact O-CB 3.24Å; V2110-Y2114 WeakPolarHBondContact O-CB 3.47Å; V2110-Y2114 PolarHBondContact O-N 3.45Å |
| 2111 | L | 82.4 | Confident | 76.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | -179.4 | -176.7 | 62.8 | 0 | 0 | 0 | 111.2 | L2086 I2107 Q2108 S2113 Y2114 L2115 L2128 L2151 F2154 V2155 | L2086-L2111 HydrophobicContact CD2-CD1 4.47Å; I2107-L2111 HydrophobicContact CG2-CB 4.27Å; I2107-L2111 WeakPolarHBondContact O-CB 3.1Å; I2107-L2111 PolarHBondContact O-N 3.49Å; Q2108-L2111 PolarHBondContact O-N 3.35Å; L2111-S2113 VanDerWaalsContact C-N 3.34Å; L2111-S2113 PolarHBondContact O-N 2.86Å; L2111-Y2114 HydrophobicContact CD1-CD1 4.48Å; L2111-Y2114 WeakPolarHBondContact O-CB 3.19Å; L2111-Y2114 PolarHBondContact O-N 3.01Å; L2111-L2115 HydrophobicContact CD1-CG 4.44Å; L2111-L2115 HydrophobicContact CG-CD1 4.23Å; L2111-L2115 HydrophobicContact CG-CG 4.47Å; L2111-L2115 WeakPolarHBondContact O-CB 3.5Å; L2111-L2115 VanDerWaalsContact O-CG 3.25Å; L2111-L2115 WeakPolarHBondContact O-CG 3.46Å; L2111-L2115 PolarHBondContact O-N 3.19Å; L2111-L2128 HydrophobicContact CD1-CD1 3.79Å; L2111-L2128 HydrophobicContact CD1-CD2 4.18Å; L2111-L2151 HydrophobicContact CD2-CB 4.36Å; L2111-L2151 HydrophobicContact CD2-CD2 3.81Å; L2111-F2154 HydrophobicContact CB-CE1 4.41Å; L2111-F2154 HydrophobicContact CD2-CD1 3.86Å; L2111-F2154 HydrophobicContact CD2-CE1 4.37Å; L2111-F2154 HydrophobicContact CG-CD1 4.25Å; L2111-F2154 HydrophobicContact CG-CE1 4.3Å; L2111-V2155 HydrophobicContact CD2-CG2 3.98Å; L2111-V2155 HydrophobicContact CG-CG2 4.5Å |
| 2112 | G | 80.5 | Confident | 77.1 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 6% | 0.062 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q2108 Y2114 L2115 N2116 H2158 | Q2108-G2112 PolarHBondContact O-N 3Å; G2112-Y2114 VanDerWaalsContact C-N 3.32Å; G2112-Y2114 PolarHBondContact O-N 3.47Å; G2112-L2115 PolarHBondContact O-N 2.79Å; G2112-N2116 WeakPolarHBondContact O-CB 3.33Å; G2112-N2116 VanDerWaalsContact O-CG 3.23Å; G2112-N2116 PolarHBondContact O-N 3.48Å; G2112-N2116 PolarHBondContact O-ND2 3.3Å; G2112-H2158 PolarHBondContact O-NE2 3.26Å |
| 2113 | S | 81.7 | Confident | 77.2 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 174.6 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | H2057 D2109 V2110 L2111 A2117 | H2057-S2113 PolarHBondContact CE1-OG 3.4Å; H2057-S2113 PolarHBondContact ND1-OG 3.11Å; D2109-S2113 WeakPolarHBondContact O-CB 3.25Å; D2109-S2113 PolarHBondContact O-N 3.02Å; D2109-S2113 VanDerWaalsContact O-N 3.16Å; D2109-S2113 PolarHBondContact O-OG 2.8Å; V2110-S2113 PolarHBondContact O-N 3.12Å; L2111-S2113 VanDerWaalsContact C-N 3.34Å; L2111-S2113 PolarHBondContact O-N 2.86Å; S2113-A2117 VanDerWaalsContact O-CB 3.31Å; S2113-A2117 WeakPolarHBondContact O-CB 3.29Å; S2113-A2117 PolarHBondContact O-N 2.8Å; S2113-A2117 VanDerWaalsContact O-N 3.12Å |
| 2114 | Y | 83 | Confident | 77.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.3 | -43.8 | 177.1 | -177.9 | -108.7 | 0 | 0 | 0 | 111.6 | L2060 L2070 I2082 P2083 V2110 L2111 G2112 A2117 I2118 Y2124 L2128 | L2060-Y2114 HydrophobicContact CD1-CD2 4.27Å; L2060-Y2114 HydrophobicContact CD2-CD2 4.02Å; L2070-Y2114 HydrophobicContact CD1-CD2 4.01Å; L2070-Y2114 HydrophobicContact CD1-CE2 3.82Å; I2082-Y2114 HydrophobicContact CB-CE2 4.37Å; I2082-Y2114 HydrophobicContact CG2-CD2 4.2Å; I2082-Y2114 HydrophobicContact CG2-CE2 3.99Å; P2083-Y2114 WeakPolarHBondContact CD-OH 3.4Å; P2083-Y2114 HydrophobicContact CG-CE1 3.81Å; P2083-Y2114 WeakPolarHBondContact CG-OH 3.43Å; V2110-Y2114 VanDerWaalsContact O-CB 3.24Å; V2110-Y2114 WeakPolarHBondContact O-CB 3.47Å; V2110-Y2114 PolarHBondContact O-N 3.45Å; L2111-Y2114 HydrophobicContact CD1-CD1 4.48Å; L2111-Y2114 WeakPolarHBondContact O-CB 3.19Å; L2111-Y2114 PolarHBondContact O-N 3.01Å; G2112-Y2114 VanDerWaalsContact C-N 3.32Å; G2112-Y2114 PolarHBondContact O-N 3.47Å; Y2114-A2117 CarbonylContact O-C 3.59Å; Y2114-A2117 WeakPolarHBondContact O-CA 3.34Å; Y2114-A2117 WeakPolarHBondContact O-CB 3.35Å; Y2114-A2117 PolarHBondContact O-N 3.31Å; Y2114-I2118 HydrophobicContact CD1-CD1 3.49Å; Y2114-I2118 VanDerWaalsContact CD1-CD1 3.49Å; Y2114-I2118 HydrophobicContact CD1-CG1 4.33Å; Y2114-I2118 HydrophobicContact CE1-CD1 3.03Å; Y2114-I2118 HydrophobicContact CE1-CG1 3.91Å; Y2114-I2118 HydrophobicContact CE2-CD1 4.21Å; Y2114-I2118 HydrophobicContact CE2-CG1 4.19Å; Y2114-I2118 HydrophobicContact CG-CD1 4.22Å; Y2114-I2118 VanDerWaalsContact CZ-CD1 3.4Å; Y2114-I2118 WeakPolarHBondContact O-CG1 3.37Å; Y2114-I2118 PolarHBondContact O-N 3.08Å; Y2114-Y2124 VanDerWaalsContact OH-CD1 3.32Å; Y2114-Y2124 WeakPolarHBondContact OH-CD1 3.14Å; Y2114-L2128 HydrophobicContact CE1-CD1 4.42Å |
| 2115 | L | 77.8 | Confident | 77.6 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.6 | -72.5 | 171.1 | 0 | 0 | 0 | 111.5 | L2111 G2112 A2117 I2118 L2125 L2128 F2154 V2155 H2158 | L2111-L2115 HydrophobicContact CD1-CG 4.44Å; L2111-L2115 HydrophobicContact CG-CD1 4.23Å; L2111-L2115 HydrophobicContact CG-CG 4.47Å; L2111-L2115 WeakPolarHBondContact O-CB 3.5Å; L2111-L2115 VanDerWaalsContact O-CG 3.25Å; L2111-L2115 WeakPolarHBondContact O-CG 3.46Å; L2111-L2115 PolarHBondContact O-N 3.19Å; G2112-L2115 PolarHBondContact O-N 2.79Å; L2115-A2117 PolarHBondContact O-N 2.78Å; L2115-I2118 PolarHBondContact O-N 2.88Å; L2115-L2125 HydrophobicContact CD2-CD2 4.19Å; L2115-L2128 HydrophobicContact CD2-CD2 3.85Å; L2115-F2154 HydrophobicContact CD1-CE1 4.28Å; L2115-V2155 HydrophobicContact CD1-CB 4.4Å; L2115-V2155 HydrophobicContact CD1-CG1 4.45Å; L2115-V2155 HydrophobicContact CD1-CG2 4.13Å; L2115-V2155 HydrophobicContact CD2-CG1 4.14Å; L2115-H2158 HydrophobicContact CD1-CB 4.07Å |
| 2116 | N | 76 | Confident | 77.6 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.1 | -32.7 | 172.7 | -72.2 | -15.8 | 0 | 0 | 0 | 111.8 | G2112 C2119 H2158 H2162 | G2112-N2116 WeakPolarHBondContact O-CB 3.33Å; G2112-N2116 VanDerWaalsContact O-CG 3.23Å; G2112-N2116 PolarHBondContact O-N 3.48Å; G2112-N2116 PolarHBondContact O-ND2 3.3Å; N2116-C2119 PolarHBondContact O-SG 2.67Å; N2116-H2158 PolarHBondContact OD1-NE2 3.16Å; N2116-H2162 PolarHBondContact OD1-NE2 3.5Å; N2116-H2162 VanDerWaalsContact OD1-NE2 3.11Å |
| 2117 | A | 76.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -81 | -28.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L2060 V2064 C2069 L2070 S2113 Y2114 L2115 | L2060-A2117 HydrophobicContact CD2-CB 4.04Å; V2064-A2117 VanDerWaalsContact CG2-CA 3.42Å; V2064-A2117 HydrophobicContact CG2-CB 3.26Å; C2069-A2117 CarbonylContact C-O 3.6Å; C2069-A2117 WeakPolarHBondContact CA-O 3.47Å; L2070-A2117 HydrophobicContact CD1-CB 3.38Å; L2070-A2117 HydrophobicContact CG-CB 3.64Å; L2070-A2117 PolarHBondContact N-O 3.26Å; S2113-A2117 VanDerWaalsContact O-CB 3.31Å; S2113-A2117 WeakPolarHBondContact O-CB 3.29Å; S2113-A2117 PolarHBondContact O-N 2.8Å; S2113-A2117 VanDerWaalsContact O-N 3.12Å; Y2114-A2117 CarbonylContact O-C 3.59Å; Y2114-A2117 WeakPolarHBondContact O-CA 3.34Å; Y2114-A2117 WeakPolarHBondContact O-CB 3.35Å; Y2114-A2117 PolarHBondContact O-N 3.31Å; L2115-A2117 PolarHBondContact O-N 2.78Å |
| 2118 | I | 75.2 | Confident | 77.7 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.5 | -27.8 | 179.1 | -65.9 | 160.3 | 0 | 0 | 0 | 112.6 | L2070 Y2114 L2115 G2120 D2121 Y2124 L2125 | L2070-I2118 HydrophobicContact CD1-CG1 4.23Å; Y2114-I2118 HydrophobicContact CD1-CD1 3.49Å; Y2114-I2118 VanDerWaalsContact CD1-CD1 3.49Å; Y2114-I2118 HydrophobicContact CD1-CG1 4.33Å; Y2114-I2118 HydrophobicContact CE1-CD1 3.03Å; Y2114-I2118 HydrophobicContact CE1-CG1 3.91Å; Y2114-I2118 HydrophobicContact CE2-CD1 4.21Å; Y2114-I2118 HydrophobicContact CE2-CG1 4.19Å; Y2114-I2118 HydrophobicContact CG-CD1 4.22Å; Y2114-I2118 VanDerWaalsContact CZ-CD1 3.4Å; Y2114-I2118 WeakPolarHBondContact O-CG1 3.37Å; Y2114-I2118 PolarHBondContact O-N 3.08Å; L2115-I2118 PolarHBondContact O-N 2.88Å; I2118-G2120 PolarHBondContact O-N 3.07Å; I2118-G2120 VanDerWaalsContact O-N 3.12Å; I2118-D2121 HydrophobicContact CG2-CB 3.89Å; I2118-D2121 PolarHBondContact O-N 3.12Å; I2118-Y2124 HydrophobicContact CG1-CD2 4.5Å; I2118-Y2124 HydrophobicContact CG1-CG 4.3Å; I2118-Y2124 HydrophobicContact CG2-CD2 4.17Å; I2118-Y2124 HydrophobicContact CG2-CG 4.4Å; I2118-L2125 HydrophobicContact CG2-CG 4.42Å |
| 2119 | C | 68.9 | Low | 77.5 | Confident | 88 Ų | 88 | 35.9 Ų | 35.9 | 60% | 0.595 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 32.1 | -174.6 | -60.1 | 0 | 0 | 0 | 0 | 114.8 | C2069 N2116 | C2069-C2119 HydrophobicContact CB-CB 4.14Å; N2116-C2119 PolarHBondContact O-SG 2.67Å |
| 2120 | G | 64.9 | Low | 77.6 | Confident | 26 Ų | 26 | 33.4 Ų | 33.4 | 27% | 0.268 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I2118 E2122 P2179 | I2118-G2120 PolarHBondContact O-N 3.07Å; I2118-G2120 VanDerWaalsContact O-N 3.12Å; G2120-E2122 PolarHBondContact O-N 2.64Å; G2120-P2179 WeakPolarHBondContact O-CB 3.27Å |
| 2121 | D | 71.6 | Confident | 77.5 | Confident | 70 Ų | 70 | 33.6 Ų | 33.6 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | trans | -62.3 | 118.4 | 175.6 | -172.7 | -4.2 | 0 | 0 | 0 | 112.3 | I2118 A2123 Y2124 L2125 | I2118-D2121 HydrophobicContact CG2-CB 3.89Å; I2118-D2121 PolarHBondContact O-N 3.12Å; D2121-A2123 PolarHBondContact O-N 3.13Å; D2121-A2123 WeakPolarHBondContact OD1-CB 2.97Å; D2121-A2123 PolarHBondContact OD1-N 3.08Å; D2121-A2123 VanDerWaalsContact OD1-N 3.08Å; D2121-Y2124 HydrophobicContact CB-CD2 4.08Å; D2121-Y2124 PolarHBondContact O-N 3.18Å; D2121-Y2124 VanDerWaalsContact O-N 3.13Å; D2121-L2125 PolarHBondContact O-N 3.48Å | ||
| 2122 | E | 71 | Confident | 77.6 | Confident | 85 Ų | 85 | 33.7 Ų | 33.7 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.1 | -29.4 | -179.4 | -67.7 | -170.5 | -177.3 | 0 | 0 | 112.7 | G2120 Y2124 L2125 R2126 | G2120-E2122 PolarHBondContact O-N 2.64Å; E2122-Y2124 PolarHBondContact O-N 3Å; E2122-L2125 PolarHBondContact O-N 3.27Å; E2122-R2126 WeakPolarHBondContact O-CB 3.33Å; E2122-R2126 PolarHBondContact O-N 3.12Å; E2122-R2126 IonicContact OE2-CZ 2.7Å; E2122-R2126 IonicContact OE2-NE 2.77Å; E2122-R2126 IonicContact OE2-NH2 2.69Å; E2122-R2126 PolarHBondContact OE2-NH2 3.22Å |
| 2123 | A | 71.7 | Confident | 77.8 | Confident | 60 Ų | 60 | 33.9 Ų | 33.9 | 50% | 0.496 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.9 | -26.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D2121 P2127 | D2121-A2123 PolarHBondContact O-N 3.13Å; D2121-A2123 WeakPolarHBondContact OD1-CB 2.97Å; D2121-A2123 PolarHBondContact OD1-N 3.08Å; D2121-A2123 VanDerWaalsContact OD1-N 3.08Å; A2123-P2127 WeakPolarHBondContact O-CD 3.47Å; A2123-P2127 WeakPolarHBondContact O-CG 3.49Å |
| 2124 | Y | 78.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -104.6 | -34.4 | 177.8 | -65.5 | -71.2 | 0 | 0 | 0 | 113.1 | A2072 V2079 Q2080 Y2114 I2118 D2121 E2122 P2127 L2128 | A2072-Y2124 WeakPolarHBondContact CA-OH 3.31Å; A2072-Y2124 HydrophobicContact CB-CE2 4.2Å; A2072-Y2124 WeakPolarHBondContact CB-OH 3.22Å; A2072-Y2124 PolarHBondContact N-OH 3.31Å; A2072-Y2124 VanDerWaalsContact N-OH 3.12Å; V2079-Y2124 HydrophobicContact CG1-CE1 3.82Å; Q2080-Y2124 HydrophobicContact CG-CE1 4.36Å; Y2114-Y2124 VanDerWaalsContact OH-CD1 3.32Å; Y2114-Y2124 WeakPolarHBondContact OH-CD1 3.14Å; I2118-Y2124 HydrophobicContact CG1-CD2 4.5Å; I2118-Y2124 HydrophobicContact CG1-CG 4.3Å; I2118-Y2124 HydrophobicContact CG2-CD2 4.17Å; I2118-Y2124 HydrophobicContact CG2-CG 4.4Å; D2121-Y2124 HydrophobicContact CB-CD2 4.08Å; D2121-Y2124 PolarHBondContact O-N 3.18Å; D2121-Y2124 VanDerWaalsContact O-N 3.13Å; E2122-Y2124 PolarHBondContact O-N 3Å; Y2124-P2127 WeakPolarHBondContact O-CD 3.43Å; Y2124-L2128 WeakPolarHBondContact O-CB 3.17Å; Y2124-L2128 PolarHBondContact O-N 3.18Å |
| 2125 | L | 79.4 | Confident | 77.8 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 178 | -84.7 | 176.1 | 0 | 0 | 0 | 112.4 | L2115 I2118 D2121 E2122 L2128 G2129 P2179 I2183 | L2115-L2125 HydrophobicContact CD2-CD2 4.19Å; I2118-L2125 HydrophobicContact CG2-CG 4.42Å; D2121-L2125 PolarHBondContact O-N 3.48Å; E2122-L2125 PolarHBondContact O-N 3.27Å; L2125-L2128 HydrophobicContact CD2-CD2 4.44Å; L2125-L2128 WeakPolarHBondContact O-CB 3.43Å; L2125-L2128 PolarHBondContact O-N 2.79Å; L2125-G2129 PolarHBondContact O-N 3.06Å; L2125-P2179 HydrophobicContact CD1-CB 4.02Å; L2125-I2183 HydrophobicContact CB-CD1 4.03Å; L2125-I2183 HydrophobicContact CD2-CD1 3.91Å; L2125-I2183 HydrophobicContact CG-CD1 4.5Å; L2125-I2183 WeakPolarHBondContact O-CD1 3.19Å |
| 2126 | R | 79.9 | Confident | 78.1 | Confident | 140 Ų | 140 | 37.2 Ų | 37.2 | 53% | 0.528 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 177.8 | -72.2 | -173.8 | -155.6 | 178.4 | 4 | 112.9 | E2122 L2128 G2129 S2130 C2182 | E2122-R2126 WeakPolarHBondContact O-CB 3.33Å; E2122-R2126 PolarHBondContact O-N 3.12Å; E2122-R2126 IonicContact OE2-CZ 2.7Å; E2122-R2126 IonicContact OE2-NE 2.77Å; E2122-R2126 IonicContact OE2-NH2 2.69Å; E2122-R2126 PolarHBondContact OE2-NH2 3.22Å; R2126-L2128 VanDerWaalsContact C-N 3.3Å; R2126-L2128 PolarHBondContact O-N 3.4Å; R2126-G2129 PolarHBondContact O-N 3.41Å; R2126-S2130 WeakPolarHBondContact O-CB 3.47Å; R2126-S2130 PolarHBondContact O-N 3.26Å; R2126-C2182 HydrophobicContact CG-CB 4.18Å |
| 2127 | P | 80.6 | Confident | 78.4 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.1 | -36.7 | 172.9 | -26.5 | 34.5 | 0 | 0 | 0 | 113.7 | P2083 A2123 Y2124 A2131 | P2083-P2127 HydrophobicContact CB-CB 4.35Å; P2083-P2127 HydrophobicContact CG-CB 4.5Å; A2123-P2127 WeakPolarHBondContact O-CD 3.47Å; A2123-P2127 WeakPolarHBondContact O-CG 3.49Å; Y2124-P2127 WeakPolarHBondContact O-CD 3.43Å; P2127-A2131 WeakPolarHBondContact O-CB 3.45Å; P2127-A2131 PolarHBondContact O-N 3.46Å |
| 2128 | L | 82.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -52.4 | 175.7 | -174.3 | 79 | 0 | 0 | 0 | 111 | P2083 I2087 L2111 Y2114 L2115 Y2124 L2125 R2126 A2131 L2132 V2155 | P2083-L2128 HydrophobicContact CB-CB 3.89Å; P2083-L2128 HydrophobicContact CB-CD1 3.88Å; I2087-L2128 HydrophobicContact CD1-CD1 3.41Å; I2087-L2128 VanDerWaalsContact CD1-CD1 3.41Å; I2087-L2128 HydrophobicContact CD1-CG 4.03Å; I2087-L2128 WeakPolarHBondContact CD1-O 3.35Å; I2087-L2128 HydrophobicContact CG1-CD1 4.21Å; L2111-L2128 HydrophobicContact CD1-CD1 3.79Å; L2111-L2128 HydrophobicContact CD1-CD2 4.18Å; Y2114-L2128 HydrophobicContact CE1-CD1 4.42Å; L2115-L2128 HydrophobicContact CD2-CD2 3.85Å; Y2124-L2128 WeakPolarHBondContact O-CB 3.17Å; Y2124-L2128 PolarHBondContact O-N 3.18Å; L2125-L2128 HydrophobicContact CD2-CD2 4.44Å; L2125-L2128 WeakPolarHBondContact O-CB 3.43Å; L2125-L2128 PolarHBondContact O-N 2.79Å; R2126-L2128 VanDerWaalsContact C-N 3.3Å; R2126-L2128 PolarHBondContact O-N 3.4Å; L2128-A2131 PolarHBondContact O-N 3.35Å; L2128-L2132 PolarHBondContact O-N 2.98Å; L2128-V2155 HydrophobicContact CD2-CG1 4.43Å; L2128-V2155 HydrophobicContact CD2-CG2 4.03Å |
| 2129 | G | 80.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -51.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2125 R2126 A2131 L2132 T2133 | L2125-G2129 PolarHBondContact O-N 3.06Å; R2126-G2129 PolarHBondContact O-N 3.41Å; G2129-A2131 VanDerWaalsContact C-N 3.3Å; G2129-A2131 PolarHBondContact O-N 2.82Å; G2129-L2132 PolarHBondContact O-N 3.11Å; G2129-L2132 VanDerWaalsContact O-N 3.11Å; G2129-T2133 VanDerWaalsContact O-CG2 3.31Å; G2129-T2133 WeakPolarHBondContact O-CG2 3.33Å; G2129-T2133 PolarHBondContact O-N 2.83Å; G2129-T2133 PolarHBondContact O-OG1 3.14Å; G2129-T2133 VanDerWaalsContact O-OG1 3.1Å |
| 2130 | S | 83 | Confident | 78.7 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.9 | -39.5 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 112.6 | R2126 T2133 E2134 | R2126-S2130 WeakPolarHBondContact O-CB 3.47Å; R2126-S2130 PolarHBondContact O-N 3.26Å; S2130-T2133 VanDerWaalsContact CA-OG1 3.29Å; S2130-T2133 WeakPolarHBondContact CA-OG1 3.46Å; S2130-T2133 PolarHBondContact O-OG1 2.85Å; S2130-T2133 VanDerWaalsContact O-OG1 3.06Å; S2130-E2134 WeakPolarHBondContact O-CB 3.16Å; S2130-E2134 PolarHBondContact O-N 3.47Å |
| 2131 | A | 81.6 | Confident | 79.3 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2087 P2127 L2128 G2129 R2135 | I2087-A2131 HydrophobicContact CB-CB 4.28Å; I2087-A2131 HydrophobicContact CD1-CB 3.7Å; I2087-A2131 HydrophobicContact CG2-CB 4.39Å; P2127-A2131 WeakPolarHBondContact O-CB 3.45Å; P2127-A2131 PolarHBondContact O-N 3.46Å; L2128-A2131 PolarHBondContact O-N 3.35Å; G2129-A2131 VanDerWaalsContact C-N 3.3Å; G2129-A2131 PolarHBondContact O-N 2.82Å; A2131-R2135 WeakPolarHBondContact O-CG 3.47Å; A2131-R2135 PolarHBondContact O-N 2.82Å |
| 2132 | L | 84.1 | Confident | 79.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 173.4 | -71.9 | 169 | 0 | 0 | 0 | 110.8 | I2087 L2128 G2129 R2135 I2136 A2148 L2151 L2152 V2155 | I2087-L2132 HydrophobicContact CD1-CD1 4.38Å; I2087-L2132 HydrophobicContact CD1-CD2 3.89Å; I2087-L2132 HydrophobicContact CD1-CG 3.6Å; I2087-L2132 HydrophobicContact CG1-CD2 3.99Å; I2087-L2132 HydrophobicContact CG1-CG 4.28Å; I2087-L2132 HydrophobicContact CG2-CD2 3.85Å; I2087-L2132 HydrophobicContact CG2-CG 4.44Å; L2128-L2132 PolarHBondContact O-N 2.98Å; G2129-L2132 PolarHBondContact O-N 3.11Å; G2129-L2132 VanDerWaalsContact O-N 3.11Å; L2132-R2135 PolarHBondContact O-N 3.16Å; L2132-I2136 VanDerWaalsContact O-CG1 3.28Å; L2132-I2136 WeakPolarHBondContact O-CG1 3.15Å; L2132-I2136 PolarHBondContact O-N 3.29Å; L2132-A2148 HydrophobicContact CD2-CB 4.34Å; L2132-L2151 HydrophobicContact CD2-CB 3.94Å; L2132-L2152 HydrophobicContact CB-CD1 4.28Å; L2132-L2152 HydrophobicContact CD1-CB 4.12Å; L2132-L2152 HydrophobicContact CD1-CD1 3.78Å; L2132-V2155 HydrophobicContact CD1-CG2 4.08Å |
| 2133 | T | 84.6 | Confident | 80.1 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -177.7 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | G2129 S2130 R2135 I2136 M2137 D2186 A2190 | G2129-T2133 VanDerWaalsContact O-CG2 3.31Å; G2129-T2133 WeakPolarHBondContact O-CG2 3.33Å; G2129-T2133 PolarHBondContact O-N 2.83Å; G2129-T2133 PolarHBondContact O-OG1 3.14Å; G2129-T2133 VanDerWaalsContact O-OG1 3.1Å; S2130-T2133 VanDerWaalsContact CA-OG1 3.29Å; S2130-T2133 WeakPolarHBondContact CA-OG1 3.46Å; S2130-T2133 PolarHBondContact O-OG1 2.85Å; S2130-T2133 VanDerWaalsContact O-OG1 3.06Å; T2133-R2135 PolarHBondContact O-N 3.47Å; T2133-I2136 PolarHBondContact O-N 2.92Å; T2133-I2136 VanDerWaalsContact O-N 3.16Å; T2133-M2137 WeakPolarHBondContact O-CG 3.36Å; T2133-M2137 PolarHBondContact O-N 3.33Å; T2133-D2186 HydrophobicContact CG2-CB 4.09Å; T2133-D2186 WeakPolarHBondContact CG2-O 3.44Å; T2133-A2190 HydrophobicContact CG2-CB 3.92Å |
| 2134 | E | 83.3 | Confident | 80.4 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56 | -38.8 | 173.3 | -168.1 | -165.1 | 150.8 | 0 | 0 | 111 | K2016 S2130 H2138 | K2016-E2134 IonicContact NZ-OE1 3.19Å; S2130-E2134 WeakPolarHBondContact O-CB 3.16Å; S2130-E2134 PolarHBondContact O-N 3.47Å; E2134-H2138 WeakPolarHBondContact O-CA 3.41Å; E2134-H2138 VanDerWaalsContact O-CB 3.28Å; E2134-H2138 WeakPolarHBondContact O-CB 3.4Å; E2134-H2138 PolarHBondContact O-N 3.3Å |
| 2135 | R | 82.6 | Confident | 80.7 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75 | -35.8 | 178.8 | -63.4 | -65.4 | 165.1 | -168.2 | 16.7 | 113.1 | K2016 I2087 D2091 A2131 L2132 T2133 S2139 A2148 | K2016-R2135 VanDerWaalsContact NZ-CZ 3.3Å; I2087-R2135 HydrophobicContact CG2-CG 4.13Å; D2091-R2135 VanDerWaalsContact CG-CZ 3.41Å; D2091-R2135 VanDerWaalsContact CG-NH1 3.27Å; D2091-R2135 VanDerWaalsContact OD1-CD 3.27Å; D2091-R2135 WeakPolarHBondContact OD1-CD 3.17Å; D2091-R2135 IonicContact OD1-CZ 3.67Å; D2091-R2135 IonicContact OD1-NE 3.75Å; D2091-R2135 IonicContact OD1-NH1 2.95Å; D2091-R2135 PolarHBondContact OD1-NH1 2.87Å; D2091-R2135 VanDerWaalsContact OD1-NH1 3.12Å; D2091-R2135 IonicContact OD1-NH2 3.94Å; D2091-R2135 IonicContact OD2-CZ 3.58Å; D2091-R2135 IonicContact OD2-NE 2.92Å; D2091-R2135 IonicContact OD2-NH1 3.75Å; D2091-R2135 PolarHBondContact OD2-NH1 3.42Å; D2091-R2135 IonicContact OD2-NH2 3.56Å; D2091-R2135 PolarHBondContact OD2-NH2 3.48Å; A2131-R2135 WeakPolarHBondContact O-CG 3.47Å; A2131-R2135 PolarHBondContact O-N 2.82Å; L2132-R2135 PolarHBondContact O-N 3.16Å; T2133-R2135 PolarHBondContact O-N 3.47Å; R2135-S2139 WeakPolarHBondContact O-CB 3.28Å; R2135-S2139 PolarHBondContact O-N 2.85Å; R2135-S2139 PolarHBondContact O-OG 3.25Å; R2135-A2148 HydrophobicContact CB-CB 4.05Å |
| 2136 | I | 83.8 | Confident | 80.9 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 172.6 | -65 | 169 | 0 | 0 | 0 | 110 | L2132 T2133 R2145 A2148 I2149 L2152 A2190 A2194 | L2132-I2136 VanDerWaalsContact O-CG1 3.28Å; L2132-I2136 WeakPolarHBondContact O-CG1 3.15Å; L2132-I2136 PolarHBondContact O-N 3.29Å; T2133-I2136 PolarHBondContact O-N 2.92Å; T2133-I2136 VanDerWaalsContact O-N 3.16Å; I2136-R2145 WeakPolarHBondContact O-CD 3.43Å; I2136-R2145 WeakPolarHBondContact O-CG 3.28Å; I2136-A2148 HydrophobicContact CD1-CB 4.4Å; I2136-A2148 HydrophobicContact CG1-CB 3.67Å; I2136-I2149 HydrophobicContact CD1-CG1 3.93Å; I2136-I2149 HydrophobicContact CG1-CG1 3.98Å; I2136-I2149 HydrophobicContact CG2-CG1 4.32Å; I2136-L2152 HydrophobicContact CD1-CD2 3.78Å; I2136-A2190 HydrophobicContact CB-CB 4.07Å; I2136-A2190 HydrophobicContact CG2-CB 3.94Å; I2136-A2190 WeakPolarHBondContact CG2-O 3.14Å; I2136-A2194 HydrophobicContact CG2-CB 3.74Å |
| 2137 | M | 82.2 | Confident | 81 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -79.8 | -41.6 | -176.7 | -55.1 | -148.4 | -25.8 | 0 | 0 | 113.8 | T2133 L2189 A2190 E2193 | T2133-M2137 WeakPolarHBondContact O-CG 3.36Å; T2133-M2137 PolarHBondContact O-N 3.33Å; M2137-L2189 HydrophobicContact CE-CD2 4.01Å; M2137-L2189 HydrophobicContact SD-CD2 3.74Å; M2137-A2190 HydrophobicContact CG-CB 3.63Å; M2137-A2190 VanDerWaalsContact SD-CA 3.56Å; M2137-A2190 HydrophobicContact SD-CB 3.99Å; M2137-E2193 WeakPolarHBondContact CB-OE2 3.2Å; M2137-E2193 WeakPolarHBondContact CE-OE2 3.39Å; M2137-E2193 WeakPolarHBondContact CG-OE2 3.21Å; M2137-E2193 HydrophobicContact SD-CB 4.44Å |
| 2138 | H | 79.9 | Confident | 81.2 | Confident | 127 Ų | 127 | 44.5 Ų | 44.5 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -108.6 | -6.8 | -166.9 | -56.9 | -38 | 0 | 0 | 0 | 115.1 | E2134 T2140 | E2134-H2138 WeakPolarHBondContact O-CA 3.41Å; E2134-H2138 VanDerWaalsContact O-CB 3.28Å; E2134-H2138 WeakPolarHBondContact O-CB 3.4Å; E2134-H2138 PolarHBondContact O-N 3.3Å; H2138-T2140 PolarHBondContact O-N 3.06Å |
| 2139 | S | 76.6 | Confident | 81.4 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | trans | -73.5 | 132.5 | 179.2 | 73.4 | 0 | 0 | 0 | 0 | 111.8 | R2135 Y2141 T2144 R2145 | R2135-S2139 WeakPolarHBondContact O-CB 3.28Å; R2135-S2139 PolarHBondContact O-N 2.85Å; R2135-S2139 PolarHBondContact O-OG 3.25Å; S2139-Y2141 VanDerWaalsContact C-N 3.26Å; S2139-Y2141 PolarHBondContact O-N 2.98Å; S2139-T2144 VanDerWaalsContact CB-OG1 3.28Å; S2139-T2144 WeakPolarHBondContact CB-OG1 3.42Å; S2139-T2144 PolarHBondContact OG-OG1 3.17Å; S2139-R2145 PolarHBondContact O-NH1 3.35Å; S2139-R2145 WeakPolarHBondContact OG-CG 2.86Å; S2139-R2145 PolarHBondContact OG-N 2.86Å | ||
| 2140 | T | 71.4 | Confident | 81.6 | Confident | 139 Ų | 139 | 48.8 Ų | 48.8 | 85% | 0.853 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -72 | -21.6 | 179.6 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | H2138 | H2138-T2140 PolarHBondContact O-N 3.06Š|
| 2141 | Y | 76.8 | Confident | 81.6 | Confident | 117 Ų | 117 | 46.1 Ų | 46.1 | 46% | 0.459 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -99.4 | 122.8 | -174.8 | -128.3 | -86.4 | 0 | 0 | 0 | 110.5 | S2139 R2143 T2144 R2145 | S2139-Y2141 VanDerWaalsContact C-N 3.26Å; S2139-Y2141 PolarHBondContact O-N 2.98Å; Y2141-R2143 HydrophobicContact CD1-CB 4.2Å; Y2141-R2143 HydrophobicContact CD1-CG 4.4Å; Y2141-R2143 PolarHBondContact O-N 3.32Å; Y2141-T2144 WeakPolarHBondContact CB-OG1 3.31Å; Y2141-T2144 PolarHBondContact O-N 2.98Å; Y2141-T2144 VanDerWaalsContact O-N 3.13Å; Y2141-T2144 PolarHBondContact O-OG1 2.92Å; Y2141-R2145 PolarHBondContact O-N 3.29Å |
| 2142 | W | 81.3 | Confident | 81.8 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 24% | 0.242 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -30.2 | -178.8 | 72.2 | -90.3 | 0 | 0 | 0 | 113 | T2144 R2145 L2146 R2199 E2201 V2202 | W2142-T2144 VanDerWaalsContact C-N 3.33Å; W2142-T2144 PolarHBondContact O-N 3.25Å; W2142-R2145 PolarHBondContact O-N 2.83Å; W2142-L2146 HydrophobicContact CE3-CB 4.46Å; W2142-L2146 HydrophobicContact CE3-CD2 4.39Å; W2142-L2146 HydrophobicContact CZ3-CD2 3.75Å; W2142-L2146 WeakPolarHBondContact O-CB 3.49Å; W2142-L2146 PolarHBondContact O-N 3.45Å; W2142-R2199 HydrophobicContact CB-CG 4.11Å; W2142-R2199 HydrophobicContact CG-CG 4.29Å; W2142-E2201 HydrophobicContact CZ3-CB 4.09Å; W2142-E2201 HydrophobicContact CZ3-CG 4.44Å; W2142-V2202 HydrophobicContact CB-CG2 4.15Å; W2142-V2202 HydrophobicContact CE3-CG2 4.14Å |
| 2143 | R | 78.1 | Confident | 81.8 | Confident | 154 Ų | 154 | 47.6 Ų | 47.6 | 58% | 0.581 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.6 | -35.4 | 177.5 | -68.5 | -173.9 | 175.6 | 175.2 | -1.6 | 112.7 | Y2141 L2146 A2147 | Y2141-R2143 HydrophobicContact CD1-CB 4.2Å; Y2141-R2143 HydrophobicContact CD1-CG 4.4Å; Y2141-R2143 PolarHBondContact O-N 3.32Å; R2143-L2146 PolarHBondContact O-N 3.19Å; R2143-A2147 WeakPolarHBondContact O-CB 3.1Å; R2143-A2147 PolarHBondContact O-N 2.91Å |
| 2144 | T | 78.6 | Confident | 81.7 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73 | -36.3 | 177 | 48 | 0 | 0 | 0 | 0 | 111 | L2090 S2139 Y2141 W2142 A2148 | L2090-T2144 HydrophobicContact CB-CG2 4.38Å; L2090-T2144 WeakPolarHBondContact O-CG2 3.14Å; S2139-T2144 VanDerWaalsContact CB-OG1 3.28Å; S2139-T2144 WeakPolarHBondContact CB-OG1 3.42Å; S2139-T2144 PolarHBondContact OG-OG1 3.17Å; Y2141-T2144 WeakPolarHBondContact CB-OG1 3.31Å; Y2141-T2144 PolarHBondContact O-N 2.98Å; Y2141-T2144 VanDerWaalsContact O-N 3.13Å; Y2141-T2144 PolarHBondContact O-OG1 2.92Å; W2142-T2144 VanDerWaalsContact C-N 3.33Å; W2142-T2144 PolarHBondContact O-N 3.25Å; T2144-A2148 WeakPolarHBondContact O-CB 3.28Å; T2144-A2148 PolarHBondContact O-N 2.87Å |
| 2145 | R | 83.3 | Confident | 81.6 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -50.2 | 169 | -62.9 | -165.7 | -68.1 | -111.3 | 14.1 | 111.2 | I2136 S2139 Y2141 W2142 A2147 A2148 I2149 D2197 V2202 | I2136-R2145 WeakPolarHBondContact O-CD 3.43Å; I2136-R2145 WeakPolarHBondContact O-CG 3.28Å; S2139-R2145 PolarHBondContact O-NH1 3.35Å; S2139-R2145 WeakPolarHBondContact OG-CG 2.86Å; S2139-R2145 PolarHBondContact OG-N 2.86Å; Y2141-R2145 PolarHBondContact O-N 3.29Å; W2142-R2145 PolarHBondContact O-N 2.83Å; R2145-A2147 PolarHBondContact O-N 3.49Å; R2145-A2148 PolarHBondContact O-N 3.32Å; R2145-I2149 VanDerWaalsContact O-CG1 3.3Å; R2145-I2149 WeakPolarHBondContact O-CG1 3.45Å; R2145-I2149 PolarHBondContact O-N 3.28Å; R2145-D2197 IonicContact CZ-OD1 3.28Å; R2145-D2197 IonicContact CZ-OD2 3.88Å; R2145-D2197 IonicContact NE-OD2 3.77Å; R2145-D2197 PolarHBondContact NE-OD2 2.83Å; R2145-D2197 IonicContact NH2-OD1 2.81Å; R2145-D2197 PolarHBondContact NH2-OD1 2.63Å; R2145-D2197 IonicContact NH2-OD2 2.9Å; R2145-D2197 PolarHBondContact NH2-OD2 2.93Å; R2145-V2202 HydrophobicContact CB-CG1 4.27Å |
| 2146 | L | 84 | Confident | 81.3 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 179 | -177.4 | 63.9 | 0 | 0 | 0 | 112.7 | W2142 R2143 A2148 I2149 R2150 E2201 V2202 E2205 | W2142-L2146 HydrophobicContact CE3-CB 4.46Å; W2142-L2146 HydrophobicContact CE3-CD2 4.39Å; W2142-L2146 HydrophobicContact CZ3-CD2 3.75Å; W2142-L2146 WeakPolarHBondContact O-CB 3.49Å; W2142-L2146 PolarHBondContact O-N 3.45Å; R2143-L2146 PolarHBondContact O-N 3.19Å; L2146-A2148 VanDerWaalsContact C-N 3.35Å; L2146-I2149 PolarHBondContact O-N 3.46Å; L2146-R2150 WeakPolarHBondContact O-CG 3.07Å; L2146-R2150 PolarHBondContact O-N 3.46Å; L2146-E2201 WeakPolarHBondContact CD1-O 3.23Å; L2146-E2201 HydrophobicContact CD2-CB 4.46Å; L2146-V2202 HydrophobicContact CB-CG2 4.3Å; L2146-E2205 HydrophobicContact CD1-CB 3.81Å; L2146-E2205 HydrophobicContact CD1-CG 3.68Å |
| 2147 | A | 82.9 | Confident | 80.9 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 12% | 0.116 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2090 E2104 R2143 R2145 R2150 L2151 | L2090-A2147 HydrophobicContact CD1-CB 4.44Å; L2090-A2147 HydrophobicContact CD2-CB 3.87Å; E2104-A2147 HydrophobicContact CB-CB 4.47Å; R2143-A2147 WeakPolarHBondContact O-CB 3.1Å; R2143-A2147 PolarHBondContact O-N 2.91Å; R2145-A2147 PolarHBondContact O-N 3.49Å; A2147-R2150 PolarHBondContact O-N 3.13Å; A2147-L2151 WeakPolarHBondContact O-CB 3.17Å; A2147-L2151 WeakPolarHBondContact O-CG 3.43Å; A2147-L2151 PolarHBondContact O-N 3.18Å |
| 2148 | A | 84.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2090 L2132 R2135 I2136 T2144 R2145 L2146 L2151 L2152 | L2090-A2148 HydrophobicContact CD1-CB 4.4Å; L2132-A2148 HydrophobicContact CD2-CB 4.34Å; R2135-A2148 HydrophobicContact CB-CB 4.05Å; I2136-A2148 HydrophobicContact CD1-CB 4.4Å; I2136-A2148 HydrophobicContact CG1-CB 3.67Å; T2144-A2148 WeakPolarHBondContact O-CB 3.28Å; T2144-A2148 PolarHBondContact O-N 2.87Å; R2145-A2148 PolarHBondContact O-N 3.32Å; L2146-A2148 VanDerWaalsContact C-N 3.35Å; A2148-L2151 PolarHBondContact O-N 3.43Å; A2148-L2152 WeakPolarHBondContact O-CB 3.31Å; A2148-L2152 PolarHBondContact O-N 3.08Å |
| 2149 | I | 85.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 173.7 | -67.8 | 162.7 | 0 | 0 | 0 | 110.9 | I2136 R2145 L2146 L2152 K2153 L2191 A2194 V2202 E2205 A2206 L2209 | I2136-I2149 HydrophobicContact CD1-CG1 3.93Å; I2136-I2149 HydrophobicContact CG1-CG1 3.98Å; I2136-I2149 HydrophobicContact CG2-CG1 4.32Å; R2145-I2149 VanDerWaalsContact O-CG1 3.3Å; R2145-I2149 WeakPolarHBondContact O-CG1 3.45Å; R2145-I2149 PolarHBondContact O-N 3.28Å; L2146-I2149 PolarHBondContact O-N 3.46Å; I2149-L2152 WeakPolarHBondContact O-CB 3.45Å; I2149-L2152 PolarHBondContact O-N 3.39Å; I2149-K2153 WeakPolarHBondContact O-CB 3.29Å; I2149-K2153 PolarHBondContact O-N 3.21Å; I2149-L2191 HydrophobicContact CG1-CD2 4.49Å; I2149-L2191 HydrophobicContact CG2-CD2 4.46Å; I2149-A2194 HydrophobicContact CD1-CB 4.03Å; I2149-V2202 HydrophobicContact CD1-CG1 3.53Å; I2149-E2205 HydrophobicContact CG2-CB 4.01Å; I2149-A2206 HydrophobicContact CD1-CB 4.15Å; I2149-L2209 HydrophobicContact CG2-CB 4.47Å; I2149-L2209 HydrophobicContact CG2-CD2 4.16Å |
| 2150 | R | 85.5 | Confident | 78.6 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70 | -34.9 | -179.9 | -73 | 175.5 | 175.9 | -173.9 | 4.5 | 113.1 | E2104 L2146 A2147 K2153 F2154 | E2104-R2150 VanDerWaalsContact CD-CD 3.47Å; E2104-R2150 VanDerWaalsContact OE1-CD 3.31Å; E2104-R2150 WeakPolarHBondContact OE1-CD 3.37Å; E2104-R2150 IonicContact OE1-CZ 2.91Å; E2104-R2150 IonicContact OE1-NE 2.73Å; E2104-R2150 IonicContact OE1-NH1 2.67Å; E2104-R2150 PolarHBondContact OE1-NH1 2.68Å; E2104-R2150 WeakPolarHBondContact OE2-CB 3.48Å; E2104-R2150 WeakPolarHBondContact OE2-CD 3.42Å; E2104-R2150 IonicContact OE2-NH1 3.35Å; L2146-R2150 WeakPolarHBondContact O-CG 3.07Å; L2146-R2150 PolarHBondContact O-N 3.46Å; A2147-R2150 PolarHBondContact O-N 3.13Å; R2150-K2153 WeakPolarHBondContact O-CB 3.48Å; R2150-K2153 PolarHBondContact O-N 3.48Å; R2150-F2154 WeakPolarHBondContact O-CB 3.21Å; R2150-F2154 PolarHBondContact O-N 3.1Å |
| 2151 | L | 83.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.1 | -38 | 171.5 | -72.9 | 168.8 | 0 | 0 | 0 | 111.3 | L2090 E2104 I2107 Q2108 L2111 L2132 A2147 A2148 K2153 F2154 V2155 | L2090-L2151 HydrophobicContact CD1-CD1 3.66Å; L2090-L2151 HydrophobicContact CD2-CD1 4.1Å; L2090-L2151 HydrophobicContact CG-CD1 4.32Å; E2104-L2151 HydrophobicContact CB-CD2 4.27Å; E2104-L2151 HydrophobicContact CB-CG 4.19Å; I2107-L2151 HydrophobicContact CB-CD2 4.42Å; I2107-L2151 HydrophobicContact CG2-CD1 4.26Å; I2107-L2151 HydrophobicContact CG2-CD2 4.23Å; Q2108-L2151 HydrophobicContact CG-CD2 3.95Å; L2111-L2151 HydrophobicContact CD2-CB 4.36Å; L2111-L2151 HydrophobicContact CD2-CD2 3.81Å; L2132-L2151 HydrophobicContact CD2-CB 3.94Å; A2147-L2151 WeakPolarHBondContact O-CB 3.17Å; A2147-L2151 WeakPolarHBondContact O-CG 3.43Å; A2147-L2151 PolarHBondContact O-N 3.18Å; A2148-L2151 PolarHBondContact O-N 3.43Å; L2151-K2153 VanDerWaalsContact C-N 3.33Å; L2151-F2154 CarbonylContact O-C 3.58Å; L2151-F2154 WeakPolarHBondContact O-CB 3.16Å; L2151-F2154 PolarHBondContact O-N 2.85Å; L2151-F2154 VanDerWaalsContact O-N 3.16Å; L2151-V2155 WeakPolarHBondContact O-CG2 3.41Å; L2151-V2155 PolarHBondContact O-N 2.69Å |
| 2152 | L | 84.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 172.4 | -174.1 | 66.6 | 0 | 0 | 0 | 110.5 | L2132 I2136 A2148 I2149 F2154 V2155 F2156 I2183 L2209 | L2132-L2152 HydrophobicContact CB-CD1 4.28Å; L2132-L2152 HydrophobicContact CD1-CB 4.12Å; L2132-L2152 HydrophobicContact CD1-CD1 3.78Å; I2136-L2152 HydrophobicContact CD1-CD2 3.78Å; A2148-L2152 WeakPolarHBondContact O-CB 3.31Å; A2148-L2152 PolarHBondContact O-N 3.08Å; I2149-L2152 WeakPolarHBondContact O-CB 3.45Å; I2149-L2152 PolarHBondContact O-N 3.39Å; L2152-F2154 VanDerWaalsContact C-N 3.32Å; L2152-F2154 PolarHBondContact O-N 2.68Å; L2152-V2155 WeakPolarHBondContact O-CB 3.05Å; L2152-V2155 PolarHBondContact O-N 3.09Å; L2152-V2155 VanDerWaalsContact O-N 3.14Å; L2152-F2156 HydrophobicContact CD1-CD2 4.3Å; L2152-F2156 HydrophobicContact CD1-CE2 3.75Å; L2152-F2156 HydrophobicContact CD2-CE2 4.29Å; L2152-F2156 HydrophobicContact CG-CD2 4.04Å; L2152-F2156 HydrophobicContact CG-CE2 3.7Å; L2152-F2156 WeakPolarHBondContact O-CD2 3.4Å; L2152-F2156 PolarHBondContact O-N 3.31Å; L2152-I2183 HydrophobicContact CD1-CG2 4.29Å; L2152-L2209 HydrophobicContact CB-CD2 4.16Å; L2152-L2209 HydrophobicContact CD2-CD2 3.87Å; L2152-L2209 HydrophobicContact CG-CD2 4Å |
| 2153 | K | 85.1 | Confident | 75 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.8 | -45.4 | 170.6 | 178.2 | 171.4 | 179.7 | 143.1 | 0 | 112.3 | I2149 R2150 L2151 V2155 F2156 N2157 L2209 E2212 | I2149-K2153 WeakPolarHBondContact O-CB 3.29Å; I2149-K2153 PolarHBondContact O-N 3.21Å; R2150-K2153 WeakPolarHBondContact O-CB 3.48Å; R2150-K2153 PolarHBondContact O-N 3.48Å; L2151-K2153 VanDerWaalsContact C-N 3.33Å; K2153-V2155 VanDerWaalsContact C-N 3.34Å; K2153-V2155 PolarHBondContact O-N 3.22Å; K2153-F2156 PolarHBondContact O-N 2.97Å; K2153-N2157 WeakPolarHBondContact O-CB 3.3Å; K2153-N2157 PolarHBondContact O-N 2.87Å; K2153-L2209 HydrophobicContact CB-CD1 3.76Å; K2153-L2209 HydrophobicContact CB-CD2 4.18Å; K2153-L2209 HydrophobicContact CB-CG 4.48Å; K2153-L2209 HydrophobicContact CG-CD1 4.03Å; K2153-E2212 WeakPolarHBondContact CE-OE2 3.46Å; K2153-E2212 IonicContact NZ-OE1 3.52Å; K2153-E2212 PolarHBondContact NZ-OE1 2.97Å; K2153-E2212 IonicContact NZ-OE2 3.48Å; K2153-E2212 PolarHBondContact NZ-OE2 3.3Å |
| 2154 | F | 82.1 | Confident | 73.3 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.9 | 178.2 | -94.1 | 0 | 0 | 0 | 111.9 | Q2108 L2111 L2115 R2150 L2151 L2152 F2156 N2157 H2158 | Q2108-F2154 HydrophobicContact CG-CD2 4.22Å; Q2108-F2154 HydrophobicContact CG-CE2 4.49Å; Q2108-F2154 HydrophobicContact CG-CG 4.26Å; L2111-F2154 HydrophobicContact CB-CE1 4.41Å; L2111-F2154 HydrophobicContact CD2-CD1 3.86Å; L2111-F2154 HydrophobicContact CD2-CE1 4.37Å; L2111-F2154 HydrophobicContact CG-CD1 4.25Å; L2111-F2154 HydrophobicContact CG-CE1 4.3Å; L2115-F2154 HydrophobicContact CD1-CE1 4.28Å; R2150-F2154 WeakPolarHBondContact O-CB 3.21Å; R2150-F2154 PolarHBondContact O-N 3.1Å; L2151-F2154 CarbonylContact O-C 3.58Å; L2151-F2154 WeakPolarHBondContact O-CB 3.16Å; L2151-F2154 PolarHBondContact O-N 2.85Å; L2151-F2154 VanDerWaalsContact O-N 3.16Å; L2152-F2154 VanDerWaalsContact C-N 3.32Å; L2152-F2154 PolarHBondContact O-N 2.68Å; F2154-F2156 PolarHBondContact O-N 3.07Å; F2154-N2157 PolarHBondContact O-N 3.49Å; F2154-H2158 HydrophobicContact CE1-CB 4.22Å; F2154-H2158 HydrophobicContact CZ-CB 4.28Å; F2154-H2158 AromaticContact CZ-ND1 3.7Å; F2154-H2158 WeakPolarHBondContact O-CB 3.39Å; F2154-H2158 PolarHBondContact O-N 3.37Å |
| 2155 | V | 80.4 | Confident | 71.5 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L2111 L2115 L2128 L2132 L2151 L2152 K2153 S2159 | L2111-V2155 HydrophobicContact CD2-CG2 3.98Å; L2111-V2155 HydrophobicContact CG-CG2 4.5Å; L2115-V2155 HydrophobicContact CD1-CB 4.4Å; L2115-V2155 HydrophobicContact CD1-CG1 4.45Å; L2115-V2155 HydrophobicContact CD1-CG2 4.13Å; L2115-V2155 HydrophobicContact CD2-CG1 4.14Å; L2128-V2155 HydrophobicContact CD2-CG1 4.43Å; L2128-V2155 HydrophobicContact CD2-CG2 4.03Å; L2132-V2155 HydrophobicContact CD1-CG2 4.08Å; L2151-V2155 WeakPolarHBondContact O-CG2 3.41Å; L2151-V2155 PolarHBondContact O-N 2.69Å; L2152-V2155 WeakPolarHBondContact O-CB 3.05Å; L2152-V2155 PolarHBondContact O-N 3.09Å; L2152-V2155 VanDerWaalsContact O-N 3.14Å; K2153-V2155 VanDerWaalsContact C-N 3.34Å; K2153-V2155 PolarHBondContact O-N 3.22Å; V2155-S2159 PolarHBondContact O-N 3.44Å; V2155-S2159 PolarHBondContact O-OG 3.29Å; V2155-S2159 VanDerWaalsContact O-OG 3.09Å |
| 2156 | F | 77.5 | Confident | 69.6 | Low | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 177.9 | -76.9 | -72.8 | 0 | 0 | 0 | 112.9 | L2152 K2153 F2154 S2159 N2160 V2180 V2184 L2209 L2213 L2218 | L2152-F2156 HydrophobicContact CD1-CD2 4.3Å; L2152-F2156 HydrophobicContact CD1-CE2 3.75Å; L2152-F2156 HydrophobicContact CD2-CE2 4.29Å; L2152-F2156 HydrophobicContact CG-CD2 4.04Å; L2152-F2156 HydrophobicContact CG-CE2 3.7Å; L2152-F2156 WeakPolarHBondContact O-CD2 3.4Å; L2152-F2156 PolarHBondContact O-N 3.31Å; K2153-F2156 PolarHBondContact O-N 2.97Å; F2154-F2156 PolarHBondContact O-N 3.07Å; F2156-S2159 WeakPolarHBondContact CA-OG 3.37Å; F2156-S2159 PolarHBondContact O-OG 2.88Å; F2156-N2160 PolarHBondContact O-N 3.1Å; F2156-V2180 HydrophobicContact CD1-CG1 3.47Å; F2156-V2180 VanDerWaalsContact CD1-CG1 3.47Å; F2156-V2180 HydrophobicContact CE1-CG1 3.25Å; F2156-V2180 HydrophobicContact CZ-CG1 4.27Å; F2156-V2184 HydrophobicContact CE1-CG2 4.05Å; F2156-V2184 HydrophobicContact CZ-CG2 4.33Å; F2156-L2209 HydrophobicContact CD2-CD1 4.29Å; F2156-L2213 HydrophobicContact CD1-CD2 3.54Å; F2156-L2213 HydrophobicContact CD2-CD2 3.9Å; F2156-L2213 HydrophobicContact CE1-CD2 3.44Å; F2156-L2213 VanDerWaalsContact CE1-CD2 3.44Å; F2156-L2213 HydrophobicContact CE2-CD1 4.2Å; F2156-L2213 HydrophobicContact CE2-CD2 3.84Å; F2156-L2213 HydrophobicContact CG-CD2 3.79Å; F2156-L2213 HydrophobicContact CZ-CD1 4.32Å; F2156-L2213 HydrophobicContact CZ-CD2 3.63Å; F2156-L2218 HydrophobicContact CD1-CD1 4.44Å; F2156-L2218 HydrophobicContact CE1-CD1 4.29Å |
| 2157 | N | 74.8 | Confident | 67.6 | Low | 54 Ų | 54 | 67.8 Ų | 67.8 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 179.3 | -73 | -7.5 | 0 | 0 | 0 | 112.4 | K2153 F2154 S2159 N2160 D2161 | K2153-N2157 WeakPolarHBondContact O-CB 3.3Å; K2153-N2157 PolarHBondContact O-N 2.87Å; F2154-N2157 PolarHBondContact O-N 3.49Å; N2157-S2159 PolarHBondContact O-N 3.06Å; N2157-N2160 WeakPolarHBondContact O-CA 3.39Å; N2157-N2160 WeakPolarHBondContact O-CB 3.33Å; N2157-N2160 PolarHBondContact O-N 2.85Å; N2157-D2161 PolarHBondContact O-N 2.82Å |
| 2158 | H | 70.8 | Confident | 65.6 | Low | 36 Ų | 36 | 69.9 Ų | 69.9 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.4 | -29.6 | 179.2 | -165.3 | 85.3 | 0 | 0 | 0 | 111.9 | G2112 L2115 N2116 F2154 N2160 | G2112-H2158 PolarHBondContact O-NE2 3.26Å; L2115-H2158 HydrophobicContact CD1-CB 4.07Å; N2116-H2158 PolarHBondContact OD1-NE2 3.16Å; F2154-H2158 HydrophobicContact CE1-CB 4.22Å; F2154-H2158 HydrophobicContact CZ-CB 4.28Å; F2154-H2158 AromaticContact CZ-ND1 3.7Å; F2154-H2158 WeakPolarHBondContact O-CB 3.39Å; F2154-H2158 PolarHBondContact O-N 3.37Å; H2158-N2160 VanDerWaalsContact C-N 3.28Å |
| 2159 | S | 62.1 | Low | 63.2 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 37% | 0.371 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.1 | -22.1 | 169.5 | 46.7 | 0 | 0 | 0 | 0 | 114 | V2155 F2156 N2157 | V2155-S2159 PolarHBondContact O-N 3.44Å; V2155-S2159 PolarHBondContact O-OG 3.29Å; V2155-S2159 VanDerWaalsContact O-OG 3.09Å; F2156-S2159 WeakPolarHBondContact CA-OG 3.37Å; F2156-S2159 PolarHBondContact O-OG 2.88Å; N2157-S2159 PolarHBondContact O-N 3.06Å |
| 2160 | N | 57.9 | Low | 60.8 | Low | 75 Ų | 75 | 84.7 Ų | 84.7 | 40% | 0.401 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -92.5 | -35.6 | -177.4 | -141 | 38.1 | 0 | 0 | 0 | 112.7 | F2156 N2157 H2158 H2162 E2163 | F2156-N2160 PolarHBondContact O-N 3.1Å; N2157-N2160 WeakPolarHBondContact O-CA 3.39Å; N2157-N2160 WeakPolarHBondContact O-CB 3.33Å; N2157-N2160 PolarHBondContact O-N 2.85Å; H2158-N2160 VanDerWaalsContact C-N 3.28Å; N2160-H2162 PolarHBondContact O-N 2.66Å; N2160-H2162 VanDerWaalsContact O-N 3.1Å; N2160-E2163 PolarHBondContact O-N 2.8Å |
| 2161 | D | 55.7 | Low | 58.3 | Low | 113 Ų | 113 | 86.5 Ų | 86.5 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.9 | -22.1 | -179.5 | -77.6 | -19.8 | 0 | 0 | 0 | 112.8 | N2157 E2163 | N2157-D2161 PolarHBondContact O-N 2.82Å; D2161-E2163 PolarHBondContact O-N 2.93Å |
| 2162 | H | 52.7 | Low | 55.8 | Low | 134 Ų | 134 | 95.1 Ų | 95.1 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.9 | 173.4 | -85.6 | -69.7 | 0 | 0 | 0 | 114.4 | N2116 N2160 | N2116-H2162 PolarHBondContact OD1-NE2 3.5Å; N2116-H2162 VanDerWaalsContact OD1-NE2 3.11Å; N2160-H2162 PolarHBondContact O-N 2.66Å; N2160-H2162 VanDerWaalsContact O-N 3.1Å |
| 2163 | E | 45 | Very low | 53.3 | Low | 134 Ų | 134 | 102 Ų | 102 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -16.6 | 177.7 | -75.4 | -166 | 164.9 | 0 | 0 | 114.9 | N2160 D2161 | N2160-E2163 PolarHBondContact O-N 2.8Å; D2161-E2163 PolarHBondContact O-N 2.93Å |
| 2164 | I | 42.6 | Very low | 51.2 | Low | 134 Ų | 134 | 105.3 Ų | 105.3 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -94.9 | -5.8 | -167.5 | -61.5 | 178.8 | 0 | 0 | 0 | 114.5 | N2166 | I2164-N2166 PolarHBondContact O-N 3.16Š|
| 2165 | D | 41.4 | Very low | 49.4 | Very low | 150 Ų | 150 | 111.6 Ų | 111.6 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -93.6 | 21 | -172.3 | -100.7 | -3.6 | 0 | 0 | 0 | 116.6 | ||
| 2166 | N | 42.4 | Very low | 47.7 | Very low | 155 Ų | 155 | 118 Ų | 118 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | trans | -132 | 95 | 169.3 | -78.7 | -46.1 | 0 | 0 | 0 | 113.2 | I2164 G2168 | I2164-N2166 PolarHBondContact O-N 3.16Å; N2166-G2168 PolarHBondContact O-N 2.9Å; N2166-G2168 VanDerWaalsContact O-N 3.08Å | ||
| 2167 | D | 41.4 | Very low | 46.3 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 96% | 0.963 | 67% | 0.669 | S | S | * | * | trans | -53.6 | 104.1 | 152.3 | -90 | -36 | 0 | 0 | 0 | 109.7 | ||||
| 2168 | G | 41.4 | Very low | 45.5 | Very low | 59 Ų | 59 | 120.9 Ų | 120.9 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 153.3 | 96.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N2166 V2170 | N2166-G2168 PolarHBondContact O-N 2.9Å; N2166-G2168 VanDerWaalsContact O-N 3.08Å; G2168-V2170 PolarHBondContact O-N 2.75Å |
| 2169 | D | 34.8 | Very low | 44.9 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 95% | 0.947 | 68% | 0.676 | S | S | * | * | trans | -9.4 | 89.1 | 164.6 | -81.4 | -32.9 | 0 | 0 | 0 | 115.4 | ||||
| 2170 | V | 34.5 | Very low | 45.1 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | trans | -128.7 | 110.9 | 157.1 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | G2168 M2172 | G2168-V2170 PolarHBondContact O-N 2.75Å; V2170-M2172 PolarHBondContact O-N 3.35Å | ||
| 2171 | T | 33.3 | Very low | 45.4 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -51.4 | 105.3 | 177.1 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | D2173 | T2171-D2173 PolarHBondContact O-N 2.71Å; T2171-D2173 VanDerWaalsContact O-N 3.1Å | ||
| 2172 | M | 30.7 | Very low | 46.2 | Very low | 180 Ų | 180 | 114.9 Ų | 114.9 | 89% | 0.887 | 65% | 0.648 | S | S | * | * | trans | 18.1 | 76.9 | 141.6 | -59.3 | -66.4 | -115.3 | 0 | 0 | 116.4 | V2170 S2174 | V2170-M2172 PolarHBondContact O-N 3.35Å; M2172-S2174 PolarHBondContact O-N 3.15Å | ||
| 2173 | D | 33.2 | Very low | 47.4 | Very low | 146 Ų | 146 | 108.7 Ų | 108.7 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | trans | -83.9 | 95.2 | 153 | -99.1 | -17.7 | 0 | 0 | 0 | 107.1 | T2171 K2175 | T2171-D2173 PolarHBondContact O-N 2.71Å; T2171-D2173 VanDerWaalsContact O-N 3.1Å; D2173-K2175 PolarHBondContact O-N 2.91Å | ||
| 2174 | S | 40.3 | Very low | 48.8 | Very low | 108 Ų | 108 | 102.8 Ų | 102.8 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 43.7 | -179.3 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | M2172 | M2172-S2174 PolarHBondContact O-N 3.15Š|
| 2175 | K | 44.1 | Very low | 50.4 | Low | 181 Ų | 181 | 100 Ų | 100 | 79% | 0.787 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -6.3 | 178.7 | -79.1 | -173.7 | 177.3 | 176.1 | 0 | 114.5 | D2173 | D2173-K2175 PolarHBondContact O-N 2.91Š|
| 2176 | L | 45.5 | Very low | 52.1 | Low | 139 Ų | 139 | 96.6 Ų | 96.6 | 73% | 0.728 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -95.4 | -10 | -179.4 | -89.9 | 145.5 | 0 | 0 | 0 | 115.3 | G2178 P2179 | L2176-G2178 PolarHBondContact O-N 2.69Å; L2176-P2179 WeakPolarHBondContact O-CD 3.05Å |
| 2177 | S | 48 | Very low | 54 | Low | 83 Ų | 83 | 89.2 Ų | 89.2 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -74.9 | -1 | 168.9 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 2178 | G | 57.2 | Low | 55.9 | Low | 36 Ų | 36 | 82.1 Ų | 82.1 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -46.1 | -176 | 0 | 0 | 0 | 0 | 0 | 116.7 | L2176 V2180 S2181 | L2176-G2178 PolarHBondContact O-N 2.69Å; G2178-V2180 PolarHBondContact O-N 3.33Å; G2178-S2181 WeakPolarHBondContact O-CB 3.41Å; G2178-S2181 PolarHBondContact O-N 3.14Å; G2178-S2181 PolarHBondContact O-OG 2.74Å |
| 2179 | P | 59.5 | Low | 57.9 | Low | 35 Ų | 35 | 84.2 Ų | 84.2 | 23% | 0.227 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -35.2 | -168 | -19.2 | 30.5 | 0 | 0 | 0 | 113.6 | G2120 L2125 L2176 S2181 C2182 | G2120-P2179 WeakPolarHBondContact O-CB 3.27Å; L2125-P2179 HydrophobicContact CD1-CB 4.02Å; L2176-P2179 WeakPolarHBondContact O-CD 3.05Å; P2179-S2181 VanDerWaalsContact C-N 3.25Å; P2179-S2181 PolarHBondContact O-N 3.16Å; P2179-C2182 PolarHBondContact O-N 3.03Å; P2179-C2182 PolarHBondContact O-SG 3.05Å |
| 2180 | V | 64.5 | Low | 60.1 | Low | 26 Ų | 26 | 75.8 Ų | 75.8 | 16% | 0.158 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.4 | -176.7 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | F2156 G2178 C2182 I2183 V2184 | F2156-V2180 HydrophobicContact CD1-CG1 3.47Å; F2156-V2180 VanDerWaalsContact CD1-CG1 3.47Å; F2156-V2180 HydrophobicContact CE1-CG1 3.25Å; F2156-V2180 HydrophobicContact CZ-CG1 4.27Å; G2178-V2180 PolarHBondContact O-N 3.33Å; V2180-C2182 PolarHBondContact O-N 3.23Å; V2180-I2183 PolarHBondContact O-N 2.65Å; V2180-V2184 PolarHBondContact O-N 3.3Å |
| 2181 | S | 65.4 | Low | 62.5 | Low | 68 Ų | 68 | 69.4 Ų | 69.4 | 48% | 0.476 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.6 | -27.7 | 178 | 73.4 | 0 | 0 | 0 | 0 | 113.6 | G2178 P2179 I2183 V2184 | G2178-S2181 WeakPolarHBondContact O-CB 3.41Å; G2178-S2181 PolarHBondContact O-N 3.14Å; G2178-S2181 PolarHBondContact O-OG 2.74Å; P2179-S2181 VanDerWaalsContact C-N 3.25Å; P2179-S2181 PolarHBondContact O-N 3.16Å; S2181-I2183 PolarHBondContact O-N 3.3Å; S2181-V2184 PolarHBondContact O-N 2.95Å |
| 2182 | C | 72 | Confident | 64.8 | Low | 23 Ų | 23 | 65.9 Ų | 65.9 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.1 | -19.6 | 179.2 | 74.7 | 0 | 0 | 0 | 0 | 114.1 | R2126 P2179 V2180 | R2126-C2182 HydrophobicContact CG-CB 4.18Å; P2179-C2182 PolarHBondContact O-N 3.03Å; P2179-C2182 PolarHBondContact O-SG 3.05Å; V2180-C2182 PolarHBondContact O-N 3.23Å |
| 2183 | I | 77.9 | Confident | 67.3 | Low | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -97.1 | -21.6 | 178.4 | -58.1 | 171.9 | 0 | 0 | 0 | 111 | L2125 L2152 V2180 S2181 S2185 D2186 S2187 | L2125-I2183 HydrophobicContact CB-CD1 4.03Å; L2125-I2183 HydrophobicContact CD2-CD1 3.91Å; L2125-I2183 HydrophobicContact CG-CD1 4.5Å; L2125-I2183 WeakPolarHBondContact O-CD1 3.19Å; L2152-I2183 HydrophobicContact CD1-CG2 4.29Å; V2180-I2183 PolarHBondContact O-N 2.65Å; S2181-I2183 PolarHBondContact O-N 3.3Å; I2183-S2185 PolarHBondContact O-N 3Å; I2183-D2186 PolarHBondContact O-N 3.49Å; I2183-S2187 WeakPolarHBondContact CG2-OG 3.18Å; I2183-S2187 VanDerWaalsContact O-CB 3.25Å; I2183-S2187 WeakPolarHBondContact O-CB 3.44Å; I2183-S2187 PolarHBondContact O-N 3.4Å; I2183-S2187 PolarHBondContact O-OG 3.37Å |
| 2184 | V | 75.3 | Confident | 69.6 | Low | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | -172.6 | 174 | 0 | 0 | 0 | 0 | 112 | F2156 V2180 S2181 D2186 S2187 L2188 L2218 | F2156-V2184 HydrophobicContact CE1-CG2 4.05Å; F2156-V2184 HydrophobicContact CZ-CG2 4.33Å; V2180-V2184 PolarHBondContact O-N 3.3Å; S2181-V2184 PolarHBondContact O-N 2.95Å; V2184-D2186 VanDerWaalsContact C-N 3.35Å; V2184-D2186 PolarHBondContact O-N 2.92Å; V2184-S2187 PolarHBondContact O-N 3.37Å; V2184-L2188 HydrophobicContact CG1-CD1 3.65Å; V2184-L2188 HydrophobicContact CG1-CG 4.02Å; V2184-L2188 WeakPolarHBondContact O-CB 3.39Å; V2184-L2188 VanDerWaalsContact O-CG 3.27Å; V2184-L2188 WeakPolarHBondContact O-CG 3.23Å; V2184-L2188 PolarHBondContact O-N 2.72Å; V2184-L2218 HydrophobicContact CG1-CB 4.14Å; V2184-L2218 WeakPolarHBondContact CG1-O 3.46Å; V2184-L2218 HydrophobicContact CG2-CB 4.24Å; V2184-L2218 HydrophobicContact CG2-CD1 4.27Å; V2184-L2218 HydrophobicContact CG2-CD2 4.19Å; V2184-L2218 HydrophobicContact CG2-CG 4.47Å |
| 2185 | S | 75 | Confident | 71.7 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | -177.5 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | I2183 L2189 | I2183-S2185 PolarHBondContact O-N 3Å; S2185-L2189 PolarHBondContact O-N 3.31Å |
| 2186 | D | 77.6 | Confident | 73.4 | Confident | 79 Ų | 79 | 51.1 Ų | 51.1 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.1 | -33.8 | -178.1 | -63.9 | -3.1 | 0 | 0 | 0 | 110.5 | T2133 I2183 V2184 L2189 A2190 | T2133-D2186 HydrophobicContact CG2-CB 4.09Å; T2133-D2186 WeakPolarHBondContact CG2-O 3.44Å; I2183-D2186 PolarHBondContact O-N 3.49Å; V2184-D2186 VanDerWaalsContact C-N 3.35Å; V2184-D2186 PolarHBondContact O-N 2.92Å; D2186-L2189 PolarHBondContact O-N 3.23Å; D2186-A2190 WeakPolarHBondContact O-CB 3.25Å; D2186-A2190 PolarHBondContact O-N 2.97Å |
| 2187 | S | 81.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 176 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | I2183 V2184 L2189 A2190 L2191 | I2183-S2187 WeakPolarHBondContact CG2-OG 3.18Å; I2183-S2187 VanDerWaalsContact O-CB 3.25Å; I2183-S2187 WeakPolarHBondContact O-CB 3.44Å; I2183-S2187 PolarHBondContact O-N 3.4Å; I2183-S2187 PolarHBondContact O-OG 3.37Å; V2184-S2187 PolarHBondContact O-N 3.37Å; S2187-L2189 VanDerWaalsContact C-N 3.31Å; S2187-L2189 PolarHBondContact O-N 3.4Å; S2187-A2190 PolarHBondContact O-N 3.36Å; S2187-L2191 VanDerWaalsContact O-CB 3.28Å; S2187-L2191 WeakPolarHBondContact O-CB 3.42Å; S2187-L2191 WeakPolarHBondContact O-CG 3.27Å; S2187-L2191 PolarHBondContact O-N 3.29Å |
| 2188 | L | 81.6 | Confident | 76.7 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 178.1 | -69.4 | 175.4 | 0 | 0 | 0 | 111.4 | V2184 L2191 S2192 F2210 L2213 T2219 | V2184-L2188 HydrophobicContact CG1-CD1 3.65Å; V2184-L2188 HydrophobicContact CG1-CG 4.02Å; V2184-L2188 WeakPolarHBondContact O-CB 3.39Å; V2184-L2188 VanDerWaalsContact O-CG 3.27Å; V2184-L2188 WeakPolarHBondContact O-CG 3.23Å; V2184-L2188 PolarHBondContact O-N 2.72Å; L2188-L2191 PolarHBondContact O-N 2.66Å; L2188-S2192 WeakPolarHBondContact O-CB 3.48Å; L2188-S2192 PolarHBondContact O-N 3.5Å; L2188-S2192 PolarHBondContact O-OG 2.85Å; L2188-F2210 HydrophobicContact CD2-CD2 4.04Å; L2188-F2210 HydrophobicContact CD2-CE2 3.73Å; L2188-F2210 HydrophobicContact CD2-CZ 4.37Å; L2188-L2213 HydrophobicContact CD2-CD1 4.19Å; L2188-T2219 HydrophobicContact CD1-CG2 4.37Å; L2188-T2219 HydrophobicContact CD2-CG2 3.73Å |
| 2189 | L | 83.2 | Confident | 77.9 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 175.8 | -151.1 | 139.9 | 0 | 0 | 0 | 110.7 | M2137 S2185 D2186 S2187 L2191 S2192 E2193 | M2137-L2189 HydrophobicContact CE-CD2 4.01Å; M2137-L2189 HydrophobicContact SD-CD2 3.74Å; S2185-L2189 PolarHBondContact O-N 3.31Å; D2186-L2189 PolarHBondContact O-N 3.23Å; S2187-L2189 VanDerWaalsContact C-N 3.31Å; S2187-L2189 PolarHBondContact O-N 3.4Å; L2189-L2191 PolarHBondContact O-N 2.84Å; L2189-S2192 PolarHBondContact O-N 3.3Å; L2189-S2192 PolarHBondContact O-OG 2.86Å; L2189-E2193 PolarHBondContact O-N 3.37Å |
| 2190 | A | 82.5 | Confident | 79 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T2133 I2136 M2137 D2186 S2187 E2193 A2194 | T2133-A2190 HydrophobicContact CG2-CB 3.92Å; I2136-A2190 HydrophobicContact CB-CB 4.07Å; I2136-A2190 HydrophobicContact CG2-CB 3.94Å; I2136-A2190 WeakPolarHBondContact CG2-O 3.14Å; M2137-A2190 HydrophobicContact CG-CB 3.63Å; M2137-A2190 VanDerWaalsContact SD-CA 3.56Å; M2137-A2190 HydrophobicContact SD-CB 3.99Å; D2186-A2190 WeakPolarHBondContact O-CB 3.25Å; D2186-A2190 PolarHBondContact O-N 2.97Å; S2187-A2190 PolarHBondContact O-N 3.36Å; A2190-E2193 PolarHBondContact O-N 3.47Å; A2190-A2194 WeakPolarHBondContact O-CB 3.24Å; A2190-A2194 PolarHBondContact O-N 3.49Å |
| 2191 | L | 83.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 175 | -73.9 | 167.9 | 0 | 0 | 0 | 111.3 | I2149 S2187 L2188 L2189 E2193 A2194 L2195 A2206 L2209 F2210 L2213 | I2149-L2191 HydrophobicContact CG1-CD2 4.49Å; I2149-L2191 HydrophobicContact CG2-CD2 4.46Å; S2187-L2191 VanDerWaalsContact O-CB 3.28Å; S2187-L2191 WeakPolarHBondContact O-CB 3.42Å; S2187-L2191 WeakPolarHBondContact O-CG 3.27Å; S2187-L2191 PolarHBondContact O-N 3.29Å; L2188-L2191 PolarHBondContact O-N 2.66Å; L2189-L2191 PolarHBondContact O-N 2.84Å; L2191-E2193 VanDerWaalsContact C-N 3.31Å; L2191-E2193 PolarHBondContact O-N 2.77Å; L2191-A2194 CarbonylContact O-C 3.59Å; L2191-A2194 PolarHBondContact O-N 2.79Å; L2191-L2195 WeakPolarHBondContact O-CB 3.34Å; L2191-L2195 WeakPolarHBondContact O-CG 3.41Å; L2191-L2195 PolarHBondContact O-N 3.2Å; L2191-A2206 HydrophobicContact CD2-CB 3.99Å; L2191-L2209 HydrophobicContact CD1-CD2 4.06Å; L2191-L2209 HydrophobicContact CD1-CG 4.04Å; L2191-L2209 HydrophobicContact CD2-CB 4.33Å; L2191-L2209 HydrophobicContact CD2-CD2 4.01Å; L2191-L2209 HydrophobicContact CD2-CG 4.42Å; L2191-F2210 HydrophobicContact CB-CD2 4.09Å; L2191-L2213 HydrophobicContact CD1-CD1 3.57Å |
| 2192 | S | 83.2 | Confident | 80.7 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 175.1 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | L2188 L2189 L2195 | L2188-S2192 WeakPolarHBondContact O-CB 3.48Å; L2188-S2192 PolarHBondContact O-N 3.5Å; L2188-S2192 PolarHBondContact O-OG 2.85Å; L2189-S2192 PolarHBondContact O-N 3.3Å; L2189-S2192 PolarHBondContact O-OG 2.86Å; S2192-L2195 PolarHBondContact O-N 3.33Å |
| 2193 | E | 83.4 | Confident | 81.2 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.9 | -36.5 | 174.1 | -167.4 | 167.5 | -176.6 | 0 | 0 | 111.8 | M2137 L2189 A2190 L2191 L2195 E2196 | M2137-E2193 WeakPolarHBondContact CB-OE2 3.2Å; M2137-E2193 WeakPolarHBondContact CE-OE2 3.39Å; M2137-E2193 WeakPolarHBondContact CG-OE2 3.21Å; M2137-E2193 HydrophobicContact SD-CB 4.44Å; L2189-E2193 PolarHBondContact O-N 3.37Å; A2190-E2193 PolarHBondContact O-N 3.47Å; L2191-E2193 VanDerWaalsContact C-N 3.31Å; L2191-E2193 PolarHBondContact O-N 2.77Å; E2193-L2195 VanDerWaalsContact C-N 3.3Å; E2193-L2195 PolarHBondContact O-N 3.48Å; E2193-E2196 PolarHBondContact O-N 3.45Å; E2193-E2196 VanDerWaalsContact O-N 3.16Å |
| 2194 | A | 81.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.8 | -25.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I2136 I2149 A2190 L2191 E2196 D2197 V2202 A2206 | I2136-A2194 HydrophobicContact CG2-CB 3.74Å; I2149-A2194 HydrophobicContact CD1-CB 4.03Å; A2190-A2194 WeakPolarHBondContact O-CB 3.24Å; A2190-A2194 PolarHBondContact O-N 3.49Å; L2191-A2194 CarbonylContact O-C 3.59Å; L2191-A2194 PolarHBondContact O-N 2.79Å; A2194-E2196 VanDerWaalsContact C-N 3.27Å; A2194-D2197 VanDerWaalsContact O-CB 3.24Å; A2194-D2197 WeakPolarHBondContact O-CB 3.28Å; A2194-D2197 PolarHBondContact O-N 3.45Å; A2194-V2202 HydrophobicContact CB-CG1 4.19Å; A2194-A2206 HydrophobicContact CB-CB 3.88Å |
| 2195 | L | 83.2 | Confident | 81.9 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.9 | -22 | 172.1 | -74.7 | 171.4 | 0 | 0 | 0 | 112.4 | L2191 S2192 E2193 D2197 A2206 N2207 F2210 | L2191-L2195 WeakPolarHBondContact O-CB 3.34Å; L2191-L2195 WeakPolarHBondContact O-CG 3.41Å; L2191-L2195 PolarHBondContact O-N 3.2Å; S2192-L2195 PolarHBondContact O-N 3.33Å; E2193-L2195 VanDerWaalsContact C-N 3.3Å; E2193-L2195 PolarHBondContact O-N 3.48Å; L2195-D2197 VanDerWaalsContact C-N 3.34Å; L2195-A2206 HydrophobicContact CD2-CB 3.97Å; L2195-A2206 HydrophobicContact CG-CB 4.16Å; L2195-N2207 HydrophobicContact CD2-CB 3.91Å; L2195-N2207 WeakPolarHBondContact CD2-ND2 3.18Å; L2195-N2207 WeakPolarHBondContact CD2-OD1 3.45Å; L2195-F2210 HydrophobicContact CD1-CD2 4.12Å; L2195-F2210 HydrophobicContact CD1-CG 4.28Å |
| 2196 | E | 80.5 | Confident | 82.4 | Confident | 168 Ų | 168 | 57.8 Ų | 57.8 | 79% | 0.785 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.7 | 174.1 | -64.4 | -174.9 | 172.4 | 0 | 0 | 112.8 | E2193 A2194 | E2193-E2196 PolarHBondContact O-N 3.45Å; E2193-E2196 VanDerWaalsContact O-N 3.16Å; A2194-E2196 VanDerWaalsContact C-N 3.27Å |
| 2197 | D | 81.9 | Confident | 82.7 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | trans | -72 | 137.5 | -178.1 | -162.6 | -28.1 | 0 | 0 | 0 | 112.2 | R2145 A2194 L2195 R2199 V2202 | R2145-D2197 IonicContact CZ-OD1 3.28Å; R2145-D2197 IonicContact CZ-OD2 3.88Å; R2145-D2197 IonicContact NE-OD2 3.77Å; R2145-D2197 PolarHBondContact NE-OD2 2.83Å; R2145-D2197 IonicContact NH2-OD1 2.81Å; R2145-D2197 PolarHBondContact NH2-OD1 2.63Å; R2145-D2197 IonicContact NH2-OD2 2.9Å; R2145-D2197 PolarHBondContact NH2-OD2 2.93Å; A2194-D2197 VanDerWaalsContact O-CB 3.24Å; A2194-D2197 WeakPolarHBondContact O-CB 3.28Å; A2194-D2197 PolarHBondContact O-N 3.45Å; L2195-D2197 VanDerWaalsContact C-N 3.34Å; D2197-R2199 PolarHBondContact O-N 2.9Å; D2197-R2199 PolarHBondContact OD1-N 3.34Å; D2197-V2202 HydrophobicContact CB-CB 4.32Å; D2197-V2202 HydrophobicContact CB-CG1 4.2Å; D2197-V2202 WeakPolarHBondContact OD2-CG1 3.31Å | ||
| 2198 | D | 79.6 | Confident | 82.9 | Confident | 162 Ų | 162 | 62.5 Ų | 62.5 | 87% | 0.866 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -61.8 | -12.3 | 178.3 | -68.2 | -37.9 | 0 | 0 | 0 | 113.8 | ||
| 2199 | R | 82.8 | Confident | 82.8 | Confident | 129 Ų | 129 | 61 Ų | 61 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | trans | -101.4 | 119.8 | -175.3 | -70.8 | -71 | -179.9 | 172.2 | -4 | 112.3 | W2142 D2197 E2201 V2202 E2203 | W2142-R2199 HydrophobicContact CB-CG 4.11Å; W2142-R2199 HydrophobicContact CG-CG 4.29Å; D2197-R2199 PolarHBondContact O-N 2.9Å; D2197-R2199 PolarHBondContact OD1-N 3.34Å; R2199-E2201 PolarHBondContact O-N 3Å; R2199-E2201 VanDerWaalsContact O-N 3.16Å; R2199-V2202 HydrophobicContact CB-CG2 4.2Å; R2199-V2202 PolarHBondContact O-N 2.96Å; R2199-V2202 VanDerWaalsContact O-N 3.14Å; R2199-E2203 PolarHBondContact O-N 3.43Å; R2199-E2203 VanDerWaalsContact O-N 3.14Å | ||
| 2200 | P | 82.4 | Confident | 82.7 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -26 | -175 | 27.1 | -34.9 | 0 | 0 | 0 | 113 | T2204 | P2200-T2204 VanDerWaalsContact O-CB 3.28Å; P2200-T2204 WeakPolarHBondContact O-CB 3.21Å; P2200-T2204 WeakPolarHBondContact O-CG2 3.47Å; P2200-T2204 PolarHBondContact O-N 2.84Å; P2200-T2204 PolarHBondContact O-OG1 3.43Å |
| 2201 | E | 83.4 | Confident | 82.6 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 178.2 | -57.8 | 86.5 | 170.7 | 0 | 0 | 112.5 | W2142 L2146 R2199 T2204 E2205 | W2142-E2201 HydrophobicContact CZ3-CB 4.09Å; W2142-E2201 HydrophobicContact CZ3-CG 4.44Å; L2146-E2201 WeakPolarHBondContact CD1-O 3.23Å; L2146-E2201 HydrophobicContact CD2-CB 4.46Å; R2199-E2201 PolarHBondContact O-N 3Å; R2199-E2201 VanDerWaalsContact O-N 3.16Å; E2201-T2204 WeakPolarHBondContact CA-OG1 3.42Å; E2201-T2204 PolarHBondContact O-OG1 2.82Å; E2201-E2205 PolarHBondContact O-N 3.2Å |
| 2202 | V | 83.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.7 | -47 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 109 | W2142 R2145 L2146 I2149 A2194 D2197 R2199 T2204 E2205 A2206 | W2142-V2202 HydrophobicContact CB-CG2 4.15Å; W2142-V2202 HydrophobicContact CE3-CG2 4.14Å; R2145-V2202 HydrophobicContact CB-CG1 4.27Å; L2146-V2202 HydrophobicContact CB-CG2 4.3Å; I2149-V2202 HydrophobicContact CD1-CG1 3.53Å; A2194-V2202 HydrophobicContact CB-CG1 4.19Å; D2197-V2202 HydrophobicContact CB-CB 4.32Å; D2197-V2202 HydrophobicContact CB-CG1 4.2Å; D2197-V2202 WeakPolarHBondContact OD2-CG1 3.31Å; R2199-V2202 HydrophobicContact CB-CG2 4.2Å; R2199-V2202 PolarHBondContact O-N 2.96Å; R2199-V2202 VanDerWaalsContact O-N 3.14Å; V2202-T2204 VanDerWaalsContact C-N 3.34Å; V2202-T2204 PolarHBondContact O-N 3.45Å; V2202-E2205 PolarHBondContact O-N 3.39Å; V2202-A2206 WeakPolarHBondContact O-CB 3.22Å; V2202-A2206 PolarHBondContact O-N 3.48Å |
| 2203 | E | 82.2 | Confident | 81.9 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 177.5 | -172.7 | -165.6 | 166.4 | 0 | 0 | 111.8 | R2199 A2206 N2207 | R2199-E2203 PolarHBondContact O-N 3.43Å; R2199-E2203 VanDerWaalsContact O-N 3.14Å; E2203-A2206 PolarHBondContact O-N 2.85Å; E2203-N2207 VanDerWaalsContact O-CB 3.24Å; E2203-N2207 WeakPolarHBondContact O-CB 3.34Å; E2203-N2207 PolarHBondContact O-N 2.88Å; E2203-N2207 PolarHBondContact O-ND2 3.41Å |
| 2204 | T | 85.5 | Confident | 81.5 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | -178.2 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | P2200 E2201 V2202 K2208 | P2200-T2204 VanDerWaalsContact O-CB 3.28Å; P2200-T2204 WeakPolarHBondContact O-CB 3.21Å; P2200-T2204 WeakPolarHBondContact O-CG2 3.47Å; P2200-T2204 PolarHBondContact O-N 2.84Å; P2200-T2204 PolarHBondContact O-OG1 3.43Å; E2201-T2204 WeakPolarHBondContact CA-OG1 3.42Å; E2201-T2204 PolarHBondContact O-OG1 2.82Å; V2202-T2204 VanDerWaalsContact C-N 3.34Å; V2202-T2204 PolarHBondContact O-N 3.45Å; T2204-K2208 VanDerWaalsContact O-CG 3.31Å; T2204-K2208 WeakPolarHBondContact O-CG 3.24Å; T2204-K2208 PolarHBondContact O-N 3.27Å |
| 2205 | E | 83.5 | Confident | 81 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.7 | -36 | 174.9 | -74.3 | -55.5 | 139.6 | 0 | 0 | 112.1 | L2146 I2149 E2201 V2202 K2208 L2209 | L2146-E2205 HydrophobicContact CD1-CB 3.81Å; L2146-E2205 HydrophobicContact CD1-CG 3.68Å; I2149-E2205 HydrophobicContact CG2-CB 4.01Å; E2201-E2205 PolarHBondContact O-N 3.2Å; V2202-E2205 PolarHBondContact O-N 3.39Å; E2205-K2208 PolarHBondContact O-N 3.14Å; E2205-K2208 IonicContact OE1-NZ 3.7Å; E2205-K2208 PolarHBondContact OE1-NZ 3Å; E2205-L2209 WeakPolarHBondContact O-CB 3.49Å; E2205-L2209 PolarHBondContact O-N 3.1Å |
| 2206 | A | 84.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I2149 L2191 A2194 L2195 V2202 E2203 K2208 L2209 F2210 | I2149-A2206 HydrophobicContact CD1-CB 4.15Å; L2191-A2206 HydrophobicContact CD2-CB 3.99Å; A2194-A2206 HydrophobicContact CB-CB 3.88Å; L2195-A2206 HydrophobicContact CD2-CB 3.97Å; L2195-A2206 HydrophobicContact CG-CB 4.16Å; V2202-A2206 WeakPolarHBondContact O-CB 3.22Å; V2202-A2206 PolarHBondContact O-N 3.48Å; E2203-A2206 PolarHBondContact O-N 2.85Å; A2206-K2208 PolarHBondContact O-N 3.4Å; A2206-L2209 PolarHBondContact O-N 3.39Å; A2206-F2210 VanDerWaalsContact O-CB 3.23Å; A2206-F2210 WeakPolarHBondContact O-CB 3.24Å; A2206-F2210 PolarHBondContact O-N 3.01Å |
| 2207 | N | 84.9 | Confident | 79.5 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.2 | -94.4 | -47.9 | 0 | 0 | 0 | 112.3 | L2195 E2203 F2210 A2211 | L2195-N2207 HydrophobicContact CD2-CB 3.91Å; L2195-N2207 WeakPolarHBondContact CD2-ND2 3.18Å; L2195-N2207 WeakPolarHBondContact CD2-OD1 3.45Å; E2203-N2207 VanDerWaalsContact O-CB 3.24Å; E2203-N2207 WeakPolarHBondContact O-CB 3.34Å; E2203-N2207 PolarHBondContact O-N 2.88Å; E2203-N2207 PolarHBondContact O-ND2 3.41Å; N2207-F2210 PolarHBondContact O-N 3.31Å; N2207-A2211 VanDerWaalsContact O-CB 3.26Å; N2207-A2211 WeakPolarHBondContact O-CB 3.49Å; N2207-A2211 PolarHBondContact O-N 3.43Å |
| 2208 | K | 85 | Confident | 78.8 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 46% | 0.457 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.4 | -76.9 | 176.1 | -166.8 | 169.1 | 0 | 111.6 | T2204 E2205 A2206 F2210 A2211 E2212 | T2204-K2208 VanDerWaalsContact O-CG 3.31Å; T2204-K2208 WeakPolarHBondContact O-CG 3.24Å; T2204-K2208 PolarHBondContact O-N 3.27Å; E2205-K2208 PolarHBondContact O-N 3.14Å; E2205-K2208 IonicContact OE1-NZ 3.7Å; E2205-K2208 PolarHBondContact OE1-NZ 3Å; A2206-K2208 PolarHBondContact O-N 3.4Å; K2208-F2210 VanDerWaalsContact C-N 3.34Å; K2208-A2211 PolarHBondContact O-N 2.73Å; K2208-E2212 WeakPolarHBondContact O-CB 3.49Å; K2208-E2212 WeakPolarHBondContact O-CG 3.32Å; K2208-E2212 PolarHBondContact O-N 3.16Å |
| 2209 | L | 80.6 | Confident | 77.9 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 179.4 | -176.6 | 57.7 | 0 | 0 | 0 | 110.9 | I2149 L2152 K2153 F2156 L2191 E2205 A2206 E2212 L2213 | I2149-L2209 HydrophobicContact CG2-CB 4.47Å; I2149-L2209 HydrophobicContact CG2-CD2 4.16Å; L2152-L2209 HydrophobicContact CB-CD2 4.16Å; L2152-L2209 HydrophobicContact CD2-CD2 3.87Å; L2152-L2209 HydrophobicContact CG-CD2 4Å; K2153-L2209 HydrophobicContact CB-CD1 3.76Å; K2153-L2209 HydrophobicContact CB-CD2 4.18Å; K2153-L2209 HydrophobicContact CB-CG 4.48Å; K2153-L2209 HydrophobicContact CG-CD1 4.03Å; F2156-L2209 HydrophobicContact CD2-CD1 4.29Å; L2191-L2209 HydrophobicContact CD1-CD2 4.06Å; L2191-L2209 HydrophobicContact CD1-CG 4.04Å; L2191-L2209 HydrophobicContact CD2-CB 4.33Å; L2191-L2209 HydrophobicContact CD2-CD2 4.01Å; L2191-L2209 HydrophobicContact CD2-CG 4.42Å; E2205-L2209 WeakPolarHBondContact O-CB 3.49Å; E2205-L2209 PolarHBondContact O-N 3.1Å; A2206-L2209 PolarHBondContact O-N 3.39Å; L2209-E2212 PolarHBondContact O-N 3.35Å; L2209-L2213 HydrophobicContact CD1-CG 4.28Å; L2209-L2213 HydrophobicContact CG-CD1 4.19Å; L2209-L2213 HydrophobicContact CG-CG 4.41Å; L2209-L2213 WeakPolarHBondContact O-CB 3.14Å; L2209-L2213 VanDerWaalsContact O-CG 3.24Å; L2209-L2213 WeakPolarHBondContact O-CG 3.49Å; L2209-L2213 PolarHBondContact O-N 3.4Å |
| 2210 | F | 80.4 | Confident | 76.7 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.2 | -162.5 | -82.9 | 0 | 0 | 0 | 111.3 | L2188 L2191 L2195 A2206 N2207 K2208 E2212 L2213 E2214 T2219 | L2188-F2210 HydrophobicContact CD2-CD2 4.04Å; L2188-F2210 HydrophobicContact CD2-CE2 3.73Å; L2188-F2210 HydrophobicContact CD2-CZ 4.37Å; L2191-F2210 HydrophobicContact CB-CD2 4.09Å; L2195-F2210 HydrophobicContact CD1-CD2 4.12Å; L2195-F2210 HydrophobicContact CD1-CG 4.28Å; A2206-F2210 VanDerWaalsContact O-CB 3.23Å; A2206-F2210 WeakPolarHBondContact O-CB 3.24Å; A2206-F2210 PolarHBondContact O-N 3.01Å; N2207-F2210 PolarHBondContact O-N 3.31Å; K2208-F2210 VanDerWaalsContact C-N 3.34Å; F2210-E2212 PolarHBondContact O-N 3Å; F2210-L2213 PolarHBondContact O-N 3.24Å; F2210-E2214 VanDerWaalsContact O-CB 3.29Å; F2210-E2214 WeakPolarHBondContact O-CB 3.28Å; F2210-E2214 PolarHBondContact O-N 3.21Å; F2210-T2219 HydrophobicContact CE1-CG2 4.34Å; F2210-T2219 HydrophobicContact CZ-CG2 4.4Å |
| 2211 | A | 80 | Confident | 75.1 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N2207 K2208 E2214 Q2215 | N2207-A2211 VanDerWaalsContact O-CB 3.26Å; N2207-A2211 WeakPolarHBondContact O-CB 3.49Å; N2207-A2211 PolarHBondContact O-N 3.43Å; K2208-A2211 PolarHBondContact O-N 2.73Å; A2211-E2214 PolarHBondContact O-N 2.89Å; A2211-Q2215 WeakPolarHBondContact O-CB 3.44Å; A2211-Q2215 WeakPolarHBondContact O-CG 3.26Å; A2211-Q2215 PolarHBondContact O-N 3.37Å |
| 2212 | E | 77.1 | Confident | 73.1 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 174.1 | -78.3 | 170.9 | 179.1 | 0 | 0 | 111.2 | K2153 K2208 L2209 F2210 E2214 Q2215 M2216 | K2153-E2212 WeakPolarHBondContact CE-OE2 3.46Å; K2153-E2212 IonicContact NZ-OE1 3.52Å; K2153-E2212 PolarHBondContact NZ-OE1 2.97Å; K2153-E2212 IonicContact NZ-OE2 3.48Å; K2153-E2212 PolarHBondContact NZ-OE2 3.3Å; K2208-E2212 WeakPolarHBondContact O-CB 3.49Å; K2208-E2212 WeakPolarHBondContact O-CG 3.32Å; K2208-E2212 PolarHBondContact O-N 3.16Å; L2209-E2212 PolarHBondContact O-N 3.35Å; F2210-E2212 PolarHBondContact O-N 3Å; E2212-E2214 VanDerWaalsContact C-N 3.26Å; E2212-E2214 PolarHBondContact O-N 2.86Å; E2212-Q2215 WeakPolarHBondContact O-CB 3.29Å; E2212-Q2215 PolarHBondContact O-N 3.25Å; E2212-M2216 WeakPolarHBondContact O-CB 3.39Å; E2212-M2216 VanDerWaalsContact O-CG 3.23Å; E2212-M2216 WeakPolarHBondContact O-CG 3.06Å; E2212-M2216 PolarHBondContact O-N 2.88Å |
| 2213 | L | 75.4 | Confident | 70.7 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 174.6 | -70.4 | 174.1 | 0 | 0 | 0 | 112.1 | F2156 L2188 L2191 L2209 F2210 M2216 G2217 L2218 T2219 | F2156-L2213 HydrophobicContact CD1-CD2 3.54Å; F2156-L2213 HydrophobicContact CD2-CD2 3.9Å; F2156-L2213 HydrophobicContact CE1-CD2 3.44Å; F2156-L2213 VanDerWaalsContact CE1-CD2 3.44Å; F2156-L2213 HydrophobicContact CE2-CD1 4.2Å; F2156-L2213 HydrophobicContact CE2-CD2 3.84Å; F2156-L2213 HydrophobicContact CG-CD2 3.79Å; F2156-L2213 HydrophobicContact CZ-CD1 4.32Å; F2156-L2213 HydrophobicContact CZ-CD2 3.63Å; L2188-L2213 HydrophobicContact CD2-CD1 4.19Å; L2191-L2213 HydrophobicContact CD1-CD1 3.57Å; L2209-L2213 HydrophobicContact CD1-CG 4.28Å; L2209-L2213 HydrophobicContact CG-CD1 4.19Å; L2209-L2213 HydrophobicContact CG-CG 4.41Å; L2209-L2213 WeakPolarHBondContact O-CB 3.14Å; L2209-L2213 VanDerWaalsContact O-CG 3.24Å; L2209-L2213 WeakPolarHBondContact O-CG 3.49Å; L2209-L2213 PolarHBondContact O-N 3.4Å; F2210-L2213 PolarHBondContact O-N 3.24Å; L2213-M2216 HydrophobicContact CD2-SD 4.37Å; L2213-M2216 PolarHBondContact O-N 3.46Å; L2213-G2217 PolarHBondContact O-N 3.49Å; L2213-L2218 HydrophobicContact CD2-CD1 3.8Å; L2213-L2218 PolarHBondContact O-N 3.44Å; L2213-T2219 HydrophobicContact CB-CG2 4.35Å |
| 2214 | E | 74.3 | Confident | 70.1 | Confident | 112 Ų | 112 | 75 Ų | 75 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 174.7 | -169.6 | 165 | -131.7 | 0 | 0 | 111.6 | F2210 A2211 E2212 M2216 G2217 T2219 | F2210-E2214 VanDerWaalsContact O-CB 3.29Å; F2210-E2214 WeakPolarHBondContact O-CB 3.28Å; F2210-E2214 PolarHBondContact O-N 3.21Å; A2211-E2214 PolarHBondContact O-N 2.89Å; E2212-E2214 VanDerWaalsContact C-N 3.26Å; E2212-E2214 PolarHBondContact O-N 2.86Å; E2214-M2216 VanDerWaalsContact C-N 3.31Å; E2214-M2216 PolarHBondContact O-N 3.44Å; E2214-G2217 PolarHBondContact O-N 2.87Å; E2214-T2219 WeakPolarHBondContact CA-OG1 3.48Å; E2214-T2219 HydrophobicContact CB-CG2 3.9Å; E2214-T2219 HydrophobicContact CG-CG2 4.43Å; E2214-T2219 WeakPolarHBondContact CG-OG1 3.39Å |
| 2215 | Q | 70.3 | Confident | 69.3 | Low | 170 Ų | 170 | 75.4 Ų | 75.4 | 79% | 0.794 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.3 | -35.6 | 171.3 | -77 | 178.9 | 10.7 | 0 | 0 | 112.6 | A2211 E2212 G2217 | A2211-Q2215 WeakPolarHBondContact O-CB 3.44Å; A2211-Q2215 WeakPolarHBondContact O-CG 3.26Å; A2211-Q2215 PolarHBondContact O-N 3.37Å; E2212-Q2215 WeakPolarHBondContact O-CB 3.29Å; E2212-Q2215 PolarHBondContact O-N 3.25Å; Q2215-G2217 PolarHBondContact O-N 2.86Å |
| 2216 | M | 66.7 | Low | 68.5 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 33% | 0.33 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -5.4 | 173 | -68.3 | 173.4 | -176.7 | 0 | 0 | 112.8 | E2212 L2213 E2214 L2218 | E2212-M2216 WeakPolarHBondContact O-CB 3.39Å; E2212-M2216 VanDerWaalsContact O-CG 3.23Å; E2212-M2216 WeakPolarHBondContact O-CG 3.06Å; E2212-M2216 PolarHBondContact O-N 2.88Å; L2213-M2216 HydrophobicContact CD2-SD 4.37Å; L2213-M2216 PolarHBondContact O-N 3.46Å; E2214-M2216 VanDerWaalsContact C-N 3.31Å; E2214-M2216 PolarHBondContact O-N 3.44Å; M2216-L2218 VanDerWaalsContact C-N 3.26Å; M2216-L2218 HydrophobicContact CB-CD1 3.82Å; M2216-L2218 HydrophobicContact CB-CG 4.03Å; M2216-L2218 PolarHBondContact O-N 3.35Å; M2216-L2218 HydrophobicContact SD-CD1 4.18Å |
| 2217 | G | 65.8 | Low | 67.6 | Low | 48 Ų | 48 | 82.7 Ų | 82.7 | 50% | 0.495 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 11.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L2213 E2214 Q2215 | L2213-G2217 PolarHBondContact O-N 3.49Å; E2214-G2217 PolarHBondContact O-N 2.87Å; Q2215-G2217 PolarHBondContact O-N 2.86Å |
| 2218 | L | 66.8 | Low | 66.5 | Low | 52 Ų | 52 | 83.4 Ų | 83.4 | 27% | 0.272 | 46% | 0.461 | S | S | . | . | trans | -82.5 | -17.5 | -174.2 | -65.6 | 166.7 | 0 | 0 | 0 | 113 | F2156 V2184 L2213 M2216 | F2156-L2218 HydrophobicContact CD1-CD1 4.44Å; F2156-L2218 HydrophobicContact CE1-CD1 4.29Å; V2184-L2218 HydrophobicContact CG1-CB 4.14Å; V2184-L2218 WeakPolarHBondContact CG1-O 3.46Å; V2184-L2218 HydrophobicContact CG2-CB 4.24Å; V2184-L2218 HydrophobicContact CG2-CD1 4.27Å; V2184-L2218 HydrophobicContact CG2-CD2 4.19Å; V2184-L2218 HydrophobicContact CG2-CG 4.47Å; L2213-L2218 HydrophobicContact CD2-CD1 3.8Å; L2213-L2218 PolarHBondContact O-N 3.44Å; M2216-L2218 VanDerWaalsContact C-N 3.26Å; M2216-L2218 HydrophobicContact CB-CD1 3.82Å; M2216-L2218 HydrophobicContact CB-CG 4.03Å; M2216-L2218 PolarHBondContact O-N 3.35Å; M2216-L2218 HydrophobicContact SD-CD1 4.18Å | ||
| 2219 | T | 61.9 | Low | 65.3 | Low | 28 Ų | 28 | 81.9 Ų | 81.9 | 17% | 0.172 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -82.9 | -16.6 | 178.6 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | L2188 F2210 L2213 E2214 T2221 | L2188-T2219 HydrophobicContact CD1-CG2 4.37Å; L2188-T2219 HydrophobicContact CD2-CG2 3.73Å; F2210-T2219 HydrophobicContact CE1-CG2 4.34Å; F2210-T2219 HydrophobicContact CZ-CG2 4.4Å; L2213-T2219 HydrophobicContact CB-CG2 4.35Å; E2214-T2219 WeakPolarHBondContact CA-OG1 3.48Å; E2214-T2219 HydrophobicContact CB-CG2 3.9Å; E2214-T2219 HydrophobicContact CG-CG2 4.43Å; E2214-T2219 WeakPolarHBondContact CG-OG1 3.39Å; T2219-T2221 PolarHBondContact O-N 2.88Å |
| 2220 | A | 57.8 | Low | 64.2 | Low | 76 Ų | 76 | 87.7 Ų | 87.7 | 63% | 0.628 | 49% | 0.494 | S | S | * | . | trans | -76.6 | 85.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K2222 | A2220-K2222 VanDerWaalsContact C-N 3.28Å; A2220-K2222 PolarHBondContact O-N 2.93Å | ||
| 2221 | T | 47.1 | Very low | 63 | Low | 130 Ų | 130 | 90.2 Ų | 90.2 | 80% | 0.798 | 51% | 0.513 | S | S | * | . | trans | -67.5 | 88.2 | 164.4 | 53 | 0 | 0 | 0 | 0 | 109.2 | T2219 T2223 | T2219-T2221 PolarHBondContact O-N 2.88Å; T2221-T2223 PolarHBondContact O-N 3.14Å; T2221-T2223 VanDerWaalsContact O-N 3.14Å | ||
| 2222 | K | 41.9 | Very low | 61.5 | Low | 200 Ų | 200 | 94.4 Ų | 94.4 | 87% | 0.87 | 53% | 0.528 | S | S | * | . | trans | -66.2 | 103.2 | 154 | -84.5 | -178 | 177 | 174.2 | 0 | 107.5 | A2220 | A2220-K2222 VanDerWaalsContact C-N 3.28Å; A2220-K2222 PolarHBondContact O-N 2.93Å | ||
| 2223 | T | 33.4 | Very low | 60.1 | Low | 197 Ų | 197 | 98.2 Ų | 98.2 | 100% | 1.209 | 55% | 0.554 | S | S | * | * | trans | -58.4 | 0 | 137 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | T2221 | T2221-T2223 PolarHBondContact O-N 3.14Å; T2221-T2223 VanDerWaalsContact O-N 3.14Å |
Retrieved 2,223 of 2,223 residues in 1918.4 ms
(Link to these results)