| 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 | 42 | Very low | 53.1 | Low | 194 Ų | 194 | 146.9 Ų | 146.9 | 96% | 0.956 | 67% | 0.673 | S | S | * | * | 0 | -47.7 | 0 | -80.2 | -71.4 | -136.4 | 0 | 0 | 111.5 | R3 L4 I5 | M1-R3 PolarHBondContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.02Å; M1-I5 PolarHBondContact O-N 3.48Å | |||
| 2 | D | 52.1 | Low | 53.5 | Low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.4 | -31.7 | -175.4 | -57.4 | -39.3 | 0 | 0 | 0 | 115.7 | L4 F6 | D2-L4 VanDerWaalsContact C-N 3.29Å; D2-L4 PolarHBondContact O-N 3.2Å; D2-F6 PolarHBondContact O-N 3.36Å; D2-F6 VanDerWaalsContact O-N 3.15Å |
| 3 | R | 46.1 | Very low | 54.3 | Low | 228 Ų | 228 | 139.4 Ų | 139.4 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.5 | -23.3 | 173.8 | -86.5 | -175.6 | 174.5 | -179.5 | -1.1 | 114.2 | M1 K7 | M1-R3 PolarHBondContact O-N 3.12Å; R3-K7 PolarHBondContact O-N 3.15Å |
| 4 | L | 50.1 | Low | 54.6 | Low | 121 Ų | 121 | 138 Ų | 138 | 63% | 0.634 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.7 | -40 | 178.7 | -135.6 | 96.3 | 0 | 0 | 0 | 110.7 | M1 D2 F6 K7 L8 | M1-L4 PolarHBondContact O-N 3.02Å; D2-L4 VanDerWaalsContact C-N 3.29Å; D2-L4 PolarHBondContact O-N 3.2Å; L4-F6 VanDerWaalsContact C-N 3.34Å; L4-K7 PolarHBondContact O-N 3.25Å; L4-L8 HydrophobicContact CD2-CD1 4.35Å; L4-L8 PolarHBondContact O-N 3.35Å |
| 5 | I | 58.3 | Low | 54.5 | Low | 112 Ų | 112 | 135.9 Ų | 135.9 | 57% | 0.574 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | 177 | -61.4 | 173.7 | 0 | 0 | 0 | 110.4 | M1 K7 L8 S9 | M1-I5 PolarHBondContact O-N 3.48Å; I5-K7 PolarHBondContact O-N 3.26Å; I5-L8 PolarHBondContact O-N 3.01Å; I5-S9 PolarHBondContact O-N 3.44Å |
| 6 | F | 53.9 | Low | 54.5 | Low | 150 Ų | 150 | 131.8 Ų | 131.8 | 66% | 0.658 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.1 | -40.9 | 176.9 | -143.8 | -92.4 | 0 | 0 | 0 | 112.5 | D2 L4 S9 Y10 | D2-F6 PolarHBondContact O-N 3.36Å; D2-F6 VanDerWaalsContact O-N 3.15Å; L4-F6 VanDerWaalsContact C-N 3.34Å; F6-S9 PolarHBondContact O-N 3.44Å; F6-S9 PolarHBondContact O-OG 3.14Å; F6-Y10 PolarHBondContact O-N 3.02Å; F6-Y10 VanDerWaalsContact O-N 3.16Å |
| 7 | K | 52.4 | Low | 54.3 | Low | 164 Ų | 164 | 130.4 Ų | 130.4 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.7 | -33.4 | 175.6 | -84.5 | -174.9 | 174.8 | -177.9 | 0 | 113.5 | R3 L4 I5 R11 | R3-K7 PolarHBondContact O-N 3.15Å; L4-K7 PolarHBondContact O-N 3.25Å; I5-K7 PolarHBondContact O-N 3.26Å; K7-R11 PolarHBondContact O-N 2.98Å; K7-R11 VanDerWaalsContact O-N 3.14Å |
| 8 | L | 54.2 | Low | 54.2 | Low | 103 Ų | 103 | 128.4 Ų | 128.4 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.2 | -39.4 | 174.9 | -99.4 | 134.7 | 0 | 0 | 0 | 111.8 | L4 I5 Y10 R11 L12 | L4-L8 HydrophobicContact CD2-CD1 4.35Å; L4-L8 PolarHBondContact O-N 3.35Å; I5-L8 PolarHBondContact O-N 3.01Å; L8-Y10 VanDerWaalsContact C-N 3.34Å; L8-Y10 PolarHBondContact O-N 3.44Å; L8-R11 PolarHBondContact O-N 3.5Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.07Å |
| 9 | S | 58 | Low | 54 | Low | 55 Ų | 55 | 125.9 Ų | 125.9 | 39% | 0.385 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.6 | -41.8 | 175.1 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | I5 F6 L12 V13 | I5-S9 PolarHBondContact O-N 3.44Å; F6-S9 PolarHBondContact O-N 3.44Å; F6-S9 PolarHBondContact O-OG 3.14Å; S9-L12 PolarHBondContact O-N 3.03Å; S9-V13 WeakPolarHBondContact O-CB 3.49Å; S9-V13 VanDerWaalsContact O-CG2 3.24Å; S9-V13 WeakPolarHBondContact O-CG2 3.48Å; S9-V13 PolarHBondContact O-N 2.95Å |
| 10 | Y | 58.4 | Low | 53.6 | Low | 157 Ų | 157 | 127.3 Ų | 127.3 | 62% | 0.616 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.8 | -39.3 | 177.9 | -137.2 | -87.4 | 0 | 0 | 0 | 111.8 | F6 L8 F14 | F6-Y10 PolarHBondContact O-N 3.02Å; F6-Y10 VanDerWaalsContact O-N 3.16Å; L8-Y10 VanDerWaalsContact C-N 3.34Å; L8-Y10 PolarHBondContact O-N 3.44Å; Y10-F14 HydrophobicContact CE1-CD2 4.44Å; Y10-F14 WeakPolarHBondContact O-CB 3.36Å; Y10-F14 PolarHBondContact O-N 3.46Å |
| 11 | R | 58.9 | Low | 52.9 | Low | 197 Ų | 197 | 123.7 Ų | 123.7 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.4 | -34.3 | 175.4 | -79.5 | -171.2 | 174.7 | -173.1 | -1.9 | 112.9 | K7 L8 L15 | K7-R11 PolarHBondContact O-N 2.98Å; K7-R11 VanDerWaalsContact O-N 3.14Å; L8-R11 PolarHBondContact O-N 3.5Å; R11-L15 VanDerWaalsContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CB 3.26Å; R11-L15 PolarHBondContact O-N 3.38Å |
| 12 | L | 57.6 | Low | 52.5 | Low | 113 Ų | 113 | 118.6 Ų | 118.6 | 59% | 0.592 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.9 | -40.6 | 176.3 | -138.5 | 105.9 | 0 | 0 | 0 | 111.1 | L8 S9 F14 L15 V16 | L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.07Å; S9-L12 PolarHBondContact O-N 3.03Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-V16 WeakPolarHBondContact O-CB 3.16Å; L12-V16 WeakPolarHBondContact O-CG2 3.29Å; L12-V16 PolarHBondContact O-N 2.76Å |
| 13 | V | 63.4 | Low | 51.7 | Low | 83 Ų | 83 | 117.1 Ų | 117.1 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.7 | -38.2 | 173.2 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | S9 V16 L17 | S9-V13 WeakPolarHBondContact O-CB 3.49Å; S9-V13 VanDerWaalsContact O-CG2 3.24Å; S9-V13 WeakPolarHBondContact O-CG2 3.48Å; S9-V13 PolarHBondContact O-N 2.95Å; V13-V16 PolarHBondContact O-N 3.41Å; V13-L17 HydrophobicContact CG1-CD1 3.73Å; V13-L17 HydrophobicContact CG1-CG 4.31Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 3.31Å |
| 14 | F | 58.7 | Low | 50.9 | Low | 120 Ų | 120 | 114.3 Ų | 114.3 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.1 | -36.3 | 175.1 | -141.6 | -97.8 | 0 | 0 | 0 | 112 | Y10 L12 L17 I18 | Y10-F14 HydrophobicContact CE1-CD2 4.44Å; Y10-F14 WeakPolarHBondContact O-CB 3.36Å; Y10-F14 PolarHBondContact O-N 3.46Å; L12-F14 VanDerWaalsContact C-N 3.34Å; F14-L17 PolarHBondContact O-N 3.01Å; F14-I18 HydrophobicContact CD1-CD1 3.46Å; F14-I18 VanDerWaalsContact CD1-CD1 3.46Å; F14-I18 HydrophobicContact CD1-CG1 4.13Å; F14-I18 HydrophobicContact CE1-CD1 3.72Å; F14-I18 HydrophobicContact CE1-CG1 4.35Å; F14-I18 VanDerWaalsContact O-CB 3.32Å; F14-I18 WeakPolarHBondContact O-CB 3.28Å; F14-I18 WeakPolarHBondContact O-CG1 3.48Å; F14-I18 PolarHBondContact O-N 2.9Å |
| 15 | L | 52.7 | Low | 50.1 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69 | -40.7 | 173.1 | -103.9 | 149.2 | 0 | 0 | 0 | 111.7 | R11 L12 I18 T19 | R11-L15 VanDerWaalsContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CB 3.26Å; R11-L15 PolarHBondContact O-N 3.38Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-I18 PolarHBondContact O-N 3.41Å; L15-T19 WeakPolarHBondContact O-CB 3.36Å; L15-T19 VanDerWaalsContact O-CG2 3.28Å; L15-T19 WeakPolarHBondContact O-CG2 3.36Å; L15-T19 PolarHBondContact O-N 3.34Å; L15-T19 PolarHBondContact O-OG1 3.2Å |
| 16 | V | 55.6 | Low | 49.2 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.9 | -35.1 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L12 V13 T19 F20 | L12-V16 WeakPolarHBondContact O-CB 3.16Å; L12-V16 WeakPolarHBondContact O-CG2 3.29Å; L12-V16 PolarHBondContact O-N 2.76Å; V13-V16 PolarHBondContact O-N 3.41Å; V16-T19 WeakPolarHBondContact CA-OG1 3.29Å; V16-T19 PolarHBondContact O-N 2.84Å; V16-T19 PolarHBondContact O-OG1 3.25Å; V16-F20 HydrophobicContact CG1-CD2 4.11Å; V16-F20 WeakPolarHBondContact O-CA 3.39Å; V16-F20 VanDerWaalsContact O-CB 3.26Å; V16-F20 WeakPolarHBondContact O-CB 3.44Å; V16-F20 PolarHBondContact O-N 3.33Å |
| 17 | L | 49.9 | Very low | 48.4 | Very low | 107 Ų | 107 | 113.3 Ų | 113.3 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.2 | -30.1 | 172.9 | -75.5 | 168.6 | 0 | 0 | 0 | 112.5 | V13 F14 G21 | V13-L17 HydrophobicContact CG1-CD1 3.73Å; V13-L17 HydrophobicContact CG1-CG 4.31Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 3.31Å; F14-L17 PolarHBondContact O-N 3.01Å; L17-G21 WeakPolarHBondContact O-CA 3.27Å; L17-G21 PolarHBondContact O-N 3.22Å |
| 18 | I | 53.5 | Low | 47.5 | Very low | 96 Ų | 96 | 109.9 Ų | 109.9 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.5 | -35.8 | 172 | -71 | 170.3 | 0 | 0 | 0 | 110.8 | F14 L15 S22 | F14-I18 HydrophobicContact CD1-CD1 3.46Å; F14-I18 VanDerWaalsContact CD1-CD1 3.46Å; F14-I18 HydrophobicContact CD1-CG1 4.13Å; F14-I18 HydrophobicContact CE1-CD1 3.72Å; F14-I18 HydrophobicContact CE1-CG1 4.35Å; F14-I18 VanDerWaalsContact O-CB 3.32Å; F14-I18 WeakPolarHBondContact O-CB 3.28Å; F14-I18 WeakPolarHBondContact O-CG1 3.48Å; F14-I18 PolarHBondContact O-N 2.9Å; L15-I18 PolarHBondContact O-N 3.41Å; I18-S22 PolarHBondContact O-OG 2.8Å |
| 19 | T | 49.6 | Very low | 47.4 | Very low | 80 Ų | 80 | 110.7 Ų | 110.7 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -84.9 | -27.6 | -179.4 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | L15 V16 | L15-T19 WeakPolarHBondContact O-CB 3.36Å; L15-T19 VanDerWaalsContact O-CG2 3.28Å; L15-T19 WeakPolarHBondContact O-CG2 3.36Å; L15-T19 PolarHBondContact O-N 3.34Å; L15-T19 PolarHBondContact O-OG1 3.2Å; V16-T19 WeakPolarHBondContact CA-OG1 3.29Å; V16-T19 PolarHBondContact O-N 2.84Å; V16-T19 PolarHBondContact O-OG1 3.25Å |
| 20 | F | 46.2 | Very low | 47.5 | Very low | 154 Ų | 154 | 112.4 Ų | 112.4 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -113.2 | -25.5 | 178.1 | -76.6 | -86.5 | 0 | 0 | 0 | 114.7 | V16 S22 C23 | V16-F20 HydrophobicContact CG1-CD2 4.11Å; V16-F20 WeakPolarHBondContact O-CA 3.39Å; V16-F20 VanDerWaalsContact O-CB 3.26Å; V16-F20 WeakPolarHBondContact O-CB 3.44Å; V16-F20 PolarHBondContact O-N 3.33Å; F20-S22 PolarHBondContact O-N 3.44Å; F20-C23 PolarHBondContact O-N 2.98Å |
| 21 | G | 38.9 | Very low | 48.2 | Very low | 52 Ų | 52 | 110 Ų | 110 | 54% | 0.536 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -6.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L17 | L17-G21 WeakPolarHBondContact O-CA 3.27Å; L17-G21 PolarHBondContact O-N 3.22Å |
| 22 | S | 35 | Very low | 49.4 | Very low | 86 Ų | 86 | 102.7 Ų | 102.7 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 2.6 | 175.3 | -50.3 | 0 | 0 | 0 | 0 | 114 | I18 F20 | I18-S22 PolarHBondContact O-OG 2.8Å; F20-S22 PolarHBondContact O-N 3.44Å |
| 23 | C | 33.8 | Very low | 51 | Low | 105 Ų | 105 | 97.5 Ų | 97.5 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -114.8 | 13.1 | -174.9 | -76.7 | 0 | 0 | 0 | 0 | 115.4 | F20 | F20-C23 PolarHBondContact O-N 2.98Š|
| 24 | L | 30.7 | Very low | 52.4 | Low | 169 Ų | 169 | 93.8 Ų | 93.8 | 89% | 0.885 | 55% | 0.554 | S | S | * | * | trans | -131.4 | 32.4 | 175.8 | -75 | 170.9 | 0 | 0 | 0 | 113.4 | ||||
| 25 | D | 32.4 | Very low | 53.8 | Low | 110 Ų | 110 | 90.6 Ų | 90.6 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | trans | -97.7 | 103.5 | 155.1 | -160.3 | -8.6 | 0 | 0 | 0 | 107.8 | N27 S28 | D25-N27 PolarHBondContact O-N 3.35Å; D25-N27 PolarHBondContact OD1-N 2.97Å; D25-S28 PolarHBondContact O-N 3.42Å; D25-S28 VanDerWaalsContact O-N 3.12Å | ||
| 26 | S | 40.1 | Very low | 55.3 | Low | 121 Ų | 121 | 92.5 Ų | 92.5 | 85% | 0.846 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -0.9 | 178.2 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 27 | N | 36.6 | Very low | 56.7 | Low | 131 Ų | 131 | 94 Ų | 94 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 17.6 | 175.2 | -73.7 | -24.9 | 0 | 0 | 0 | 114.3 | D25 P29 | D25-N27 PolarHBondContact O-N 3.35Å; D25-N27 PolarHBondContact OD1-N 2.97Å; N27-P29 VanDerWaalsContact O-N 3.15Å |
| 28 | S | 34.3 | Very low | 58.6 | Low | 92 Ų | 92 | 91.4 Ų | 91.4 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 124.5 | 171.5 | 68.4 | 0 | 0 | 0 | 0 | 110.2 | D25 T30 | D25-S28 PolarHBondContact O-N 3.42Å; D25-S28 VanDerWaalsContact O-N 3.12Å; S28-T30 PolarHBondContact O-N 2.86Å; S28-T30 VanDerWaalsContact O-N 3.14Å |
| 29 | P | 51.4 | Low | 60.3 | Low | 120 Ų | 120 | 90.1 Ų | 90.1 | 78% | 0.779 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 121.3 | -173.7 | 22.5 | -31.2 | 0 | 0 | 0 | 108.8 | N27 | N27-P29 VanDerWaalsContact O-N 3.15Š|
| 30 | T | 60 | Low | 62 | Low | 90 Ų | 90 | 87.2 Ų | 87.2 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -46.6 | 128.7 | 174.8 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | S28 S32 | S28-T30 PolarHBondContact O-N 2.86Å; S28-T30 VanDerWaalsContact O-N 3.14Å; T30-S32 PolarHBondContact O-N 2.87Å |
| 31 | P | 72.2 | Confident | 63.6 | Low | 106 Ų | 106 | 89.2 Ų | 89.2 | 69% | 0.688 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 130.3 | -178.1 | 18.8 | -29.6 | 0 | 0 | 0 | 110.3 | R357 | P31-R357 PolarHBondContact O-NH2 3.46Š|
| 32 | S | 84.3 | Confident | 65.6 | Low | 45 Ų | 45 | 88.2 Ų | 88.2 | 32% | 0.315 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 134.9 | -176.6 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | T30 R39 E78 R365 | T30-S32 PolarHBondContact O-N 2.87Å; S32-R39 PolarHBondContact OG-NH1 3.28Å; S32-E78 WeakPolarHBondContact CA-OE1 3.34Å; S32-R365 PolarHBondContact O-NH2 3.36Å |
| 33 | C | 92.5 | Very high | 67.5 | Low | 3 Ų | 3 | 90.4 Ų | 90.4 | 2% | 0.02 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -75.4 | -46.5 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | I74 E78 C361 R365 | C33-I74 HydrophobicContact CB-CD1 4.32Å; C33-I74 HydrophobicContact CB-CG2 3.65Å; C33-E78 VanDerWaalsContact N-CD 3.31Å; C33-E78 PolarHBondContact N-OE1 3.23Å; C33-E78 PolarHBondContact N-OE2 3.22Å; C33-C361 WeakPolarHBondContact CA-SG 3.32Å; C33-C361 HydrophobicContact CB-CB 3.92Å; C33-C361 WeakPolarHBondContact CB-SG 3.43Å; C33-C361 WeakPolarHBondContact SG-CA 3.37Å; C33-C361 WeakPolarHBondContact SG-CB 3.48Å; C33-C361 PolarHBondContact SG-O 3.47Å; C33-C361 CovalentContact SG-SG 2.03Å; C33-C361 PolarHBondContact SG-SG 3.39Å; C33-R365 VanDerWaalsContact O-CZ 3.31Å; C33-R365 PolarHBondContact O-NE 3.05Å; C33-R365 PolarHBondContact O-NH2 3.32Å |
| 34 | L | 92.6 | Very high | 69.8 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 3% | 0.031 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -88.5 | 156.3 | -174.6 | -56.7 | -179.9 | 0 | 0 | 0 | 111.7 | E38 R39 I74 L75 E78 R79 L364 W371 | L34-E38 HydrophobicContact CB-CB 4.04Å; L34-R39 HydrophobicContact CB-CG 4.19Å; L34-I74 HydrophobicContact CG-CG2 4.32Å; L34-L75 HydrophobicContact CD1-CD2 4.36Å; L34-E78 WeakPolarHBondContact CB-OE2 3.41Å; L34-E78 HydrophobicContact CD1-CB 4.03Å; L34-E78 HydrophobicContact CG-CB 4.42Å; L34-E78 PolarHBondContact N-OE2 3.45Å; L34-R79 HydrophobicContact CD1-CB 3.98Å; L34-L364 HydrophobicContact CD2-CB 4.5Å; L34-W371 HydrophobicContact CD2-CH2 4.46Å; L34-W371 HydrophobicContact CD2-CZ2 4.21Å |
| 35 | S | 88.5 | Confident | 72 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | trans | -69.9 | 163.2 | 176.8 | 68.8 | 0 | 0 | 0 | 0 | 112 | S37 E38 R39 | S35-S37 VanDerWaalsContact C-N 3.31Å; S35-S37 PolarHBondContact O-N 2.89Å; S35-S37 PolarHBondContact OG-OG 3.11Å; S35-E38 WeakPolarHBondContact CB-OE2 3.03Å; S35-E38 PolarHBondContact N-OE2 3.17Å; S35-E38 PolarHBondContact O-N 3.45Å; S35-E38 VanDerWaalsContact OG-CG 3.29Å; S35-E38 WeakPolarHBondContact OG-CG 2.94Å; S35-E38 PolarHBondContact OG-OE2 3.02Å; S35-R39 WeakPolarHBondContact O-CG 3.31Å; S35-R39 PolarHBondContact O-N 3.22Å | ||
| 36 | M | 83.5 | Confident | 74.2 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 72% | 0.719 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -59.8 | -37.7 | -178.9 | -164.8 | 72.9 | 75.6 | 0 | 0 | 113.3 | E38 R39 | M36-E38 PolarHBondContact O-N 2.05Å; M36-R39 PolarHBondContact O-N 3.42Å; M36-R39 PolarHBondContact SD-NH2 3.01Å |
| 37 | S | 85.7 | Confident | 75.7 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -69.4 | -20.1 | 177.1 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | S35 | S35-S37 VanDerWaalsContact C-N 3.31Å; S35-S37 PolarHBondContact O-N 2.89Å; S35-S37 PolarHBondContact OG-OG 3.11Å |
| 38 | E | 88.7 | Confident | 77.4 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -90.2 | -8.5 | 179.8 | -69.9 | 167.9 | 139.9 | 0 | 0 | 113.3 | L34 S35 M36 R79 W371 | L34-E38 HydrophobicContact CB-CB 4.04Å; S35-E38 WeakPolarHBondContact CB-OE2 3.03Å; S35-E38 PolarHBondContact N-OE2 3.17Å; S35-E38 PolarHBondContact O-N 3.45Å; S35-E38 VanDerWaalsContact OG-CG 3.29Å; S35-E38 WeakPolarHBondContact OG-CG 2.94Å; S35-E38 PolarHBondContact OG-OE2 3.02Å; M36-E38 PolarHBondContact O-N 2.05Å; E38-R79 VanDerWaalsContact C-NH1 3.31Å; E38-R79 WeakPolarHBondContact O-CD 3.26Å; E38-R79 PolarHBondContact O-NH1 3.13Å; E38-W371 HydrophobicContact CG-CH2 4.32Å |
| 39 | R | 88.4 | Confident | 79 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -94 | 147.4 | -173.8 | -72.5 | -175.8 | -72.2 | 172.1 | -7.4 | 113.4 | S32 L34 S35 M36 K41 E78 W378 | S32-R39 PolarHBondContact OG-NH1 3.28Å; L34-R39 HydrophobicContact CB-CG 4.19Å; S35-R39 WeakPolarHBondContact O-CG 3.31Å; S35-R39 PolarHBondContact O-N 3.22Å; M36-R39 PolarHBondContact O-N 3.42Å; M36-R39 PolarHBondContact SD-NH2 3.01Å; R39-K41 PolarHBondContact O-N 3.28Å; R39-E78 CarbonylContact C-O 3.42Å; R39-E78 WeakPolarHBondContact CA-O 3.22Å; R39-E78 WeakPolarHBondContact CB-O 3.43Å; R39-E78 HydrophobicContact CG-CB 4.09Å; R39-W378 WeakPolarHBondContact O-CZ3 3.38Å |
| 40 | S | 85.4 | Confident | 79.4 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | trans | -58.7 | 135 | 166.1 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | W42 E78 R79 | S40-W42 VanDerWaalsContact C-N 3.26Å; S40-W42 PolarHBondContact OG-N 3.03Å; S40-W42 PolarHBondContact OG-O 3.37Å; S40-E78 PolarHBondContact N-O 3.5Å; S40-R79 WeakPolarHBondContact CB-O 3.43Å | ||
| 41 | K | 81.4 | Confident | 79.6 | Confident | 196 Ų | 196 | 62.8 Ų | 62.8 | 85% | 0.852 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -82 | -11.7 | 169 | -61.8 | -178.8 | -178.2 | 179.7 | 0 | 112 | R39 | R39-K41 PolarHBondContact O-N 3.28Š|
| 42 | W | 80.2 | Confident | 79.7 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -111 | 132.3 | -171.9 | -47.9 | -50.1 | 0 | 0 | 0 | 110.2 | S40 R44 G81 N379 K381 T422 E423 | S40-W42 VanDerWaalsContact C-N 3.26Å; S40-W42 PolarHBondContact OG-N 3.03Å; S40-W42 PolarHBondContact OG-O 3.37Å; W42-R44 VanDerWaalsContact CZ3-NH2 3.31Å; W42-G81 WeakPolarHBondContact O-CA 3.21Å; W42-N379 WeakPolarHBondContact CH2-O 3.28Å; W42-K381 HydrophobicContact CH2-CG 3.69Å; W42-K381 HydrophobicContact CZ2-CD 4.45Å; W42-K381 HydrophobicContact CZ2-CG 3.7Å; W42-T422 VanDerWaalsContact CE2-O 3.31Å; W42-T422 VanDerWaalsContact NE1-C 3.35Å; W42-T422 PolarHBondContact NE1-O 3Å; W42-E423 HydrophobicContact CB-CB 4.27Å; W42-E423 HydrophobicContact CD2-CB 3.8Å; W42-E423 HydrophobicContact CE3-CB 3.82Å; W42-E423 HydrophobicContact CG-CB 4.03Å; W42-E423 HydrophobicContact CZ3-CB 4.36Å |
| 43 | N | 75.3 | Confident | 79.5 | Confident | 131 Ų | 131 | 62.2 Ų | 62.2 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | trans | -84.4 | 114.6 | 169 | -73.2 | -19.2 | 0 | 0 | 0 | 108.3 | Q83 | N43-Q83 HydrophobicContact CB-CG 4.39Å; N43-Q83 PolarHBondContact OD1-NE2 3.24Å | ||
| 44 | R | 82.1 | Confident | 79.4 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -104 | 151.7 | 177.2 | -56 | -176.6 | -176.2 | -93.1 | 1.8 | 109.5 | W42 L80 G81 Y82 Q83 E423 | W42-R44 VanDerWaalsContact CZ3-NH2 3.31Å; R44-L80 WeakPolarHBondContact CD-O 3.3Å; R44-L80 PolarHBondContact NE-O 3Å; R44-G81 PolarHBondContact N-O 3.11Å; R44-Y82 HydrophobicContact CB-CD1 3.82Å; R44-Y82 HydrophobicContact CB-CD2 4.21Å; R44-Y82 HydrophobicContact CB-CE1 3.76Å; R44-Y82 HydrophobicContact CB-CE2 4.17Å; R44-Y82 HydrophobicContact CB-CG 4.04Å; R44-Y82 WeakPolarHBondContact O-CA 3.21Å; R44-Q83 PolarHBondContact O-N 2.79Å; R44-E423 IonicContact CZ-OE1 2.85Å; R44-E423 IonicContact CZ-OE2 2.72Å; R44-E423 IonicContact NH1-OE1 3.75Å; R44-E423 PolarHBondContact NH1-OE1 2.94Å; R44-E423 VanDerWaalsContact NH1-OE1 3.12Å; R44-E423 IonicContact NH1-OE2 3.55Å; R44-E423 PolarHBondContact NH1-OE2 3.31Å |
| 45 | S | 75.7 | Confident | 79.4 | Confident | 30 Ų | 30 | 69 Ų | 69 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | trans | -131.5 | 145.8 | 178.2 | 41 | 0 | 0 | 0 | 0 | 108.8 | H47 E52 | S45-H47 WeakPolarHBondContact CB-NE2 3.4Å; S45-H47 PolarHBondContact OG-CD2 3.22Å; S45-H47 VanDerWaalsContact OG-CD2 3.24Å; S45-H47 PolarHBondContact OG-NE2 3.34Å; S45-E52 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 46 | F | 79.9 | Confident | 79.7 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 2% | 0.022 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.3 | 174 | 167.5 | -130.5 | 0 | 0 | 0 | 108.5 | F48 L53 L112 H116 W310 T316 V317 | F46-F48 HydrophobicContact CE2-CB 4.4Å; F46-F48 HydrophobicContact CZ-CB 4.25Å; F46-L53 HydrophobicContact CD1-CB 3.6Å; F46-L53 HydrophobicContact CD1-CD1 4.5Å; F46-L53 HydrophobicContact CE1-CB 3.76Å; F46-L53 HydrophobicContact CE1-CD1 3.95Å; F46-L53 HydrophobicContact CG-CB 4.49Å; F46-L53 HydrophobicContact CZ-CD1 4.33Å; F46-L53 PolarHBondContact O-N 3.5Å; F46-L112 HydrophobicContact CE1-CD2 4.2Å; F46-L112 HydrophobicContact CZ-CD2 4.12Å; F46-H116 AromaticContact CE1-CE1 3.48Å; F46-H116 VanDerWaalsContact CE1-CE1 3.48Å; F46-H116 WeakPolarHBondContact CE1-CE1 3.37Å; F46-H116 AromaticContact CE1-ND1 3.65Å; F46-W310 HydrophobicContact CZ-CZ3 4.15Å; F46-T316 HydrophobicContact CD2-CG2 4.28Å; F46-T316 HydrophobicContact CE2-CG2 3.66Å; F46-V317 HydrophobicContact CD2-CG2 3.13Å; F46-V317 HydrophobicContact CE2-CG2 3.34Å; F46-V317 HydrophobicContact CG-CG2 4.17Å |
| 47 | H | 70.8 | Confident | 80.3 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 12% | 0.116 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.7 | 179.5 | -66.7 | -78.7 | 0 | 0 | 0 | 111.5 | S45 Q51 E52 T316 S768 | S45-H47 WeakPolarHBondContact CB-NE2 3.4Å; S45-H47 PolarHBondContact OG-CD2 3.22Å; S45-H47 VanDerWaalsContact OG-CD2 3.24Å; S45-H47 PolarHBondContact OG-NE2 3.34Å; H47-Q51 VanDerWaalsContact CA-O 3.28Å; H47-Q51 WeakPolarHBondContact CA-O 3.14Å; H47-E52 VanDerWaalsContact CE1-CB 3.43Å; H47-E52 WeakPolarHBondContact CE1-CB 3.18Å; H47-E52 WeakPolarHBondContact ND1-CA 3.21Å; H47-E52 PolarHBondContact ND1-N 3.28Å; H47-T316 WeakPolarHBondContact O-CG2 3.38Å; H47-S768 VanDerWaalsContact CB-OG 3.27Å; H47-S768 WeakPolarHBondContact CB-OG 3.4Å; H47-S768 PolarHBondContact CE1-OG 3.04Å; H47-S768 PolarHBondContact ND1-OG 3.2Å |
| 48 | F | 72.4 | Confident | 80.8 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 134.3 | 173.4 | -178.5 | -108.5 | 0 | 0 | 0 | 109.6 | F46 N50 Q51 L53 C109 Y110 L112 W310 K312 T316 | F46-F48 HydrophobicContact CE2-CB 4.4Å; F46-F48 HydrophobicContact CZ-CB 4.25Å; F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 2.72Å; F48-Q51 PolarHBondContact N-O 2.85Å; F48-Q51 PolarHBondContact O-N 2.84Å; F48-Q51 VanDerWaalsContact O-N 3.08Å; F48-L53 HydrophobicContact CB-CD1 3.58Å; F48-C109 VanDerWaalsContact CZ-O 3.28Å; F48-C109 WeakPolarHBondContact CZ-O 3.38Å; F48-Y110 WeakPolarHBondContact CE1-O 3.27Å; F48-L112 HydrophobicContact CB-CD2 4.42Å; F48-L112 HydrophobicContact CD1-CD1 3.95Å; F48-L112 HydrophobicContact CD1-CD2 3.9Å; F48-L112 HydrophobicContact CD1-CG 3.71Å; F48-L112 HydrophobicContact CE1-CG 4.15Å; F48-L112 HydrophobicContact CG-CD2 4.38Å; F48-W310 HydrophobicContact CD1-CH2 4.18Å; F48-W310 AromaticContact CD2-CH2 3.66Å; F48-W310 HydrophobicContact CD2-CH2 3.66Å; F48-W310 HydrophobicContact CD2-CZ3 4.46Å; F48-W310 HydrophobicContact CE1-CH2 4.05Å; F48-W310 HydrophobicContact CE1-CZ2 4.23Å; F48-W310 AromaticContact CE2-CH2 3.54Å; F48-W310 HydrophobicContact CE2-CH2 3.54Å; F48-W310 HydrophobicContact CE2-CZ2 4.07Å; F48-W310 AromaticContact CG-CH2 3.99Å; F48-W310 HydrophobicContact CG-CH2 3.99Å; F48-W310 AromaticContact CZ-CH2 3.74Å; F48-W310 HydrophobicContact CZ-CH2 3.74Å; F48-W310 AromaticContact CZ-CZ2 3.88Å; F48-W310 HydrophobicContact CZ-CZ2 3.88Å; F48-K312 HydrophobicContact CE2-CD 3.88Å; F48-K312 HydrophobicContact CZ-CD 4.11Å; F48-T316 HydrophobicContact CB-CG2 4.35Å; F48-T316 HydrophobicContact CD2-CG2 4.11Å |
| 49 | N | 68.1 | Low | 81 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 46.5 | -176.8 | -65.6 | -16.8 | 0 | 0 | 0 | 114.4 | Q51 Y110 | N49-Q51 PolarHBondContact O-N 2.7Å; N49-Y110 PolarHBondContact ND2-O 2.92Å |
| 50 | N | 60.4 | Low | 81 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 21.2 | -178.3 | -65.4 | -12.2 | 0 | 0 | 0 | 115.6 | F48 V772 | F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 2.72Å; N50-V772 WeakPolarHBondContact OD1-CG2 3.43Å |
| 51 | Q | 64.2 | Low | 80.9 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134 | 173.2 | -65.3 | -174.2 | -16 | 0 | 0 | 110 | H47 F48 N49 L53 | H47-Q51 VanDerWaalsContact CA-O 3.28Å; H47-Q51 WeakPolarHBondContact CA-O 3.14Å; F48-Q51 PolarHBondContact N-O 2.85Å; F48-Q51 PolarHBondContact O-N 2.84Å; F48-Q51 VanDerWaalsContact O-N 3.08Å; N49-Q51 PolarHBondContact O-N 2.7Å; Q51-L53 HydrophobicContact CB-CD2 4.31Å; Q51-L53 HydrophobicContact CB-CG 4.4Å |
| 52 | E | 73.1 | Confident | 81 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.4 | 164.8 | -167.6 | 172.7 | -167.8 | 0 | 0 | 109.6 | S45 H47 F84 | S45-E52 WeakPolarHBondContact CB-OE1 3.33Å; H47-E52 VanDerWaalsContact CE1-CB 3.43Å; H47-E52 WeakPolarHBondContact CE1-CB 3.18Å; H47-E52 WeakPolarHBondContact ND1-CA 3.21Å; H47-E52 PolarHBondContact ND1-N 3.28Å; E52-F84 VanDerWaalsContact OE1-CD2 3.29Å; E52-F84 WeakPolarHBondContact OE1-CD2 3.13Å; E52-F84 WeakPolarHBondContact OE1-CE2 3.33Å |
| 53 | L | 81.7 | Confident | 81.3 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.5 | -171.9 | -62 | 164.7 | 0 | 0 | 0 | 110 | F46 F48 Q51 L112 | F46-L53 HydrophobicContact CD1-CB 3.6Å; F46-L53 HydrophobicContact CD1-CD1 4.5Å; F46-L53 HydrophobicContact CE1-CB 3.76Å; F46-L53 HydrophobicContact CE1-CD1 3.95Å; F46-L53 HydrophobicContact CG-CB 4.49Å; F46-L53 HydrophobicContact CZ-CD1 4.33Å; F46-L53 PolarHBondContact O-N 3.5Å; F48-L53 HydrophobicContact CB-CD1 3.58Å; Q51-L53 HydrophobicContact CB-CD2 4.31Å; Q51-L53 HydrophobicContact CB-CG 4.4Å; L53-L112 HydrophobicContact CD1-CD1 3.3Å; L53-L112 HydrophobicContact CD1-CD2 3.64Å; L53-L112 HydrophobicContact CD1-CG 4.06Å; L53-L112 HydrophobicContact CD2-CD1 3.87Å; L53-L112 HydrophobicContact CG-CD1 4.22Å |
| 54 | R | 88.5 | Confident | 81.8 | Confident | 149 Ų | 149 | 42.4 Ų | 42.4 | 56% | 0.562 | 20% | 0.204 | S | C | * | . | trans | -82.5 | 133.7 | 170.8 | -53.9 | -167 | 167.5 | 159.6 | -4.6 | 109.1 | K56 F84 E86 H116 | R54-K56 PolarHBondContact O-N 3.39Å; R54-F84 WeakPolarHBondContact CA-O 3.19Å; R54-F84 HydrophobicContact CB-CB 4.49Å; R54-F84 HydrophobicContact CG-CB 4.13Å; R54-E86 HydrophobicContact CB-CB 4.14Å; R54-H116 PolarHBondContact O-CE1 3.48Å | ||
| 55 | L | 92.5 | Very high | 82.2 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 111.2 | 172.6 | -173.4 | 71.4 | 0 | 0 | 0 | 108.8 | L57 F72 F84 I85 E86 H116 I117 L313 I320 | L55-L57 HydrophobicContact CD2-CD1 4.26Å; L55-L57 HydrophobicContact CG-CD1 4.18Å; L55-F72 HydrophobicContact CD2-CE1 3.87Å; L55-F72 HydrophobicContact CD2-CZ 4.15Å; L55-F84 PolarHBondContact N-O 2.75Å; L55-I85 HydrophobicContact CB-CG1 4.4Å; L55-I85 WeakPolarHBondContact O-CA 3.49Å; L55-E86 PolarHBondContact O-N 3.48Å; L55-H116 HydrophobicContact CD1-CB 4.11Å; L55-I117 HydrophobicContact CD1-CD1 4Å; L55-I117 HydrophobicContact CD2-CD1 3.95Å; L55-I117 HydrophobicContact CG-CD1 4.16Å; L55-L313 HydrophobicContact CD1-CD1 3.97Å; L55-I320 HydrophobicContact CD1-CG2 4.32Å; L55-I320 HydrophobicContact CD2-CD1 4.02Å; L55-I320 HydrophobicContact CD2-CG1 4.33Å; L55-I320 HydrophobicContact CD2-CG2 3.82Å |
| 56 | K | 95.2 | Very high | 83 | Confident | 67 Ų | 67 | 41.4 Ų | 41.4 | 29% | 0.291 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.7 | -176.5 | -67.5 | -177.3 | 179.2 | -177.3 | 0 | 111.6 | R54 E86 V88 D114 H116 I117 | R54-K56 PolarHBondContact O-N 3.39Å; K56-E86 CarbonylContact C-O 3.59Å; K56-E86 WeakPolarHBondContact CA-O 3.34Å; K56-E86 HydrophobicContact CG-CB 4.36Å; K56-V88 HydrophobicContact CB-CG2 3.96Å; K56-V88 HydrophobicContact CD-CG2 4.16Å; K56-V88 HydrophobicContact CG-CG2 4.17Å; K56-D114 WeakPolarHBondContact CD-O 3.43Å; K56-H116 PolarHBondContact N-ND1 3.36Å; K56-H116 VanDerWaalsContact N-ND1 3.17Å; K56-H116 PolarHBondContact O-N 2.88Å; K56-I117 PolarHBondContact O-N 3.31Å |
| 57 | L | 96.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.9 | 173.5 | -73.6 | 81.6 | 0 | 0 | 0 | 110.2 | L55 N69 F72 I85 E86 F87 V88 I117 L119 | L55-L57 HydrophobicContact CD2-CD1 4.26Å; L55-L57 HydrophobicContact CG-CD1 4.18Å; L57-N69 HydrophobicContact CD2-CB 4.33Å; L57-F72 HydrophobicContact CD1-CD1 4.31Å; L57-F72 HydrophobicContact CD1-CE1 4.05Å; L57-F72 HydrophobicContact CD2-CB 4.43Å; L57-F72 HydrophobicContact CD2-CD1 3.44Å; L57-F72 VanDerWaalsContact CD2-CD1 3.44Å; L57-F72 HydrophobicContact CD2-CE1 3.82Å; L57-F72 HydrophobicContact CD2-CG 4.03Å; L57-F72 HydrophobicContact CG-CD1 4.44Å; L57-F72 HydrophobicContact CG-CE1 4.39Å; L57-I85 HydrophobicContact CD1-CG2 3.37Å; L57-E86 PolarHBondContact N-O 3.42Å; L57-F87 HydrophobicContact CB-CD1 4.03Å; L57-F87 HydrophobicContact CB-CE1 4.4Å; L57-F87 HydrophobicContact CD2-CE1 4.4Å; L57-F87 CarbonylContact O-C 3.6Å; L57-F87 WeakPolarHBondContact O-CA 3.49Å; L57-V88 PolarHBondContact O-N 3.39Å; L57-I117 WeakPolarHBondContact CA-O 3.46Å; L57-I117 HydrophobicContact CG-CB 4.31Å; L57-L119 HydrophobicContact CD2-CD1 4.06Å |
| 58 | E | 95.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 140.5 | 171.4 | -169.3 | 169.6 | 137.7 | 0 | 0 | 110.8 | H65 N69 Q90 R101 V115 I117 N118 | E58-H65 PolarHBondContact O-CE1 3.35Å; E58-H65 PolarHBondContact O-NE2 2.72Å; E58-H65 VanDerWaalsContact O-NE2 3.11Å; E58-N69 PolarHBondContact O-ND2 3.1Å; E58-Q90 HydrophobicContact CG-CB 4.39Å; E58-Q90 HydrophobicContact CG-CG 3.69Å; E58-R101 IonicContact OE1-CZ 3.6Å; E58-R101 IonicContact OE1-NE 3.64Å; E58-R101 IonicContact OE1-NH2 2.73Å; E58-R101 PolarHBondContact OE1-NH2 2.88Å; E58-R101 IonicContact OE2-CZ 3.94Å; E58-R101 IonicContact OE2-NE 2.89Å; E58-R101 PolarHBondContact OE2-NE 2.71Å; E58-R101 IonicContact OE2-NH2 3.57Å; E58-V115 HydrophobicContact CB-CB 4.39Å; E58-V115 HydrophobicContact CB-CG1 4.19Å; E58-V115 HydrophobicContact CB-CG2 4.25Å; E58-I117 PolarHBondContact N-O 3.05Å; E58-N118 HydrophobicContact CB-CB 4.1Å; E58-N118 VanDerWaalsContact CD-ND2 3.32Å; E58-N118 PolarHBondContact OE1-ND2 2.83Å |
| 59 | V | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 146.8 | 173 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | H65 W66 F87 V88 K89 Q90 | V59-H65 HydrophobicContact CG2-CB 4.36Å; V59-W66 HydrophobicContact CG1-CD2 4.47Å; V59-W66 HydrophobicContact CG1-CH2 3.75Å; V59-W66 HydrophobicContact CG1-CZ2 3.6Å; V59-W66 HydrophobicContact CG1-CZ3 4.25Å; V59-W66 HydrophobicContact CG2-CB 4.44Å; V59-W66 HydrophobicContact CG2-CD2 3.56Å; V59-W66 HydrophobicContact CG2-CE3 4.09Å; V59-W66 HydrophobicContact CG2-CG 3.73Å; V59-W66 HydrophobicContact CG2-CZ2 4.09Å; V59-F87 HydrophobicContact CG1-CB 4.14Å; V59-V88 PolarHBondContact N-O 3.48Å; V59-K89 HydrophobicContact CG1-CB 4.1Å; V59-K89 HydrophobicContact CG1-CG 4.42Å; V59-K89 CarbonylContact O-C 3.52Å; V59-K89 WeakPolarHBondContact O-CA 3.26Å; V59-Q90 PolarHBondContact O-N 3.29Å |
| 60 | T | 89.5 | Confident | 87.2 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | trans | -111.9 | -176.9 | -178.6 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | R62 H65 W66 D93 | T60-R62 PolarHBondContact O-N 2.92Å; T60-H65 PolarHBondContact N-ND1 3.17Å; T60-H65 PolarHBondContact OG1-ND1 2.76Å; T60-W66 PolarHBondContact O-NE1 2.84Å; T60-D93 HydrophobicContact CG2-CB 3.73Å | ||
| 61 | N | 82.9 | Confident | 88.9 | Confident | 84 Ų | 84 | 33.3 Ų | 33.3 | 45% | 0.449 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -70.5 | -13 | 172.9 | -73.6 | -29.4 | 0 | 0 | 0 | 114.4 | S63 K89 | N61-S63 PolarHBondContact O-N 3.4Å; N61-K89 WeakPolarHBondContact OD1-CE 3.34Å; N61-K89 PolarHBondContact OD1-NZ 2.8Å |
| 62 | R | 83.6 | Confident | 90.5 | Very high | 49 Ų | 49 | 27.4 Ų | 27.4 | 19% | 0.185 | 13% | 0.125 | C | C | . | . | trans | -62.8 | 126.6 | 176 | -66.8 | -171.2 | -71.6 | -110.8 | -9.6 | 112.4 | T60 S64 H65 W66 D93 E120 W122 | T60-R62 PolarHBondContact O-N 2.92Å; R62-S64 VanDerWaalsContact C-N 3.29Å; R62-S64 PolarHBondContact O-N 3.47Å; R62-H65 HydrophobicContact CB-CB 4.22Å; R62-H65 PolarHBondContact O-N 2.83Å; R62-H65 VanDerWaalsContact O-N 3.15Å; R62-W66 VanDerWaalsContact O-CD1 3.28Å; R62-W66 PolarHBondContact O-N 2.67Å; R62-D93 IonicContact CZ-OD2 3.87Å; R62-D93 IonicContact NH1-OD2 3.4Å; R62-D93 PolarHBondContact NH1-OD2 3.41Å; R62-D93 IonicContact NH2-OD2 2.68Å; R62-E120 IonicContact NE-OE1 3.68Å; R62-E120 PolarHBondContact NE-OE1 3.02Å; R62-E120 PolarHBondContact NH2-O 3.42Å; R62-W122 VanDerWaalsContact NH1-CD1 3.27Å | ||
| 63 | S | 85.5 | Confident | 91.6 | Very high | 25 Ų | 25 | 23.2 Ų | 23.2 | 18% | 0.175 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58 | -37.8 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | N61 H65 W66 I67 Y356 | N61-S63 PolarHBondContact O-N 3.4Å; S63-H65 VanDerWaalsContact C-N 3.33Å; S63-H65 PolarHBondContact O-N 3.45Å; S63-W66 PolarHBondContact O-N 2.73Å; S63-I67 WeakPolarHBondContact O-CG1 3.29Å; S63-I67 PolarHBondContact O-N 3.32Å; S63-I67 VanDerWaalsContact O-N 3.1Å; S63-Y356 WeakPolarHBondContact CB-OH 3.49Å |
| 64 | S | 86.6 | Confident | 92.3 | Very high | 9 Ų | 9 | 21.8 Ų | 21.8 | 6% | 0.063 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.5 | -47.4 | 174.3 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | R62 W66 I67 V68 E120 Y334 | R62-S64 VanDerWaalsContact C-N 3.29Å; R62-S64 PolarHBondContact O-N 3.47Å; S64-W66 VanDerWaalsContact C-N 3.3Å; S64-W66 PolarHBondContact O-N 2.77Å; S64-I67 PolarHBondContact O-N 3.37Å; S64-I67 VanDerWaalsContact O-N 3.1Å; S64-V68 WeakPolarHBondContact O-CB 3.27Å; S64-V68 VanDerWaalsContact O-CG2 3.3Å; S64-V68 WeakPolarHBondContact O-CG2 3.26Å; S64-V68 PolarHBondContact O-N 2.68Å; S64-E120 WeakPolarHBondContact CB-OE2 3.48Å; S64-E120 PolarHBondContact OG-OE1 3.2Å; S64-E120 PolarHBondContact OG-OE2 2.03Å; S64-Y334 WeakPolarHBondContact CB-OH 3.11Å; S64-Y334 PolarHBondContact OG-OH 3.28Å |
| 65 | H | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | -175.3 | -160.9 | 171.9 | 0 | 0 | 0 | 111.2 | E58 V59 T60 R62 S63 N69 N118 E120 | E58-H65 PolarHBondContact O-CE1 3.35Å; E58-H65 PolarHBondContact O-NE2 2.72Å; E58-H65 VanDerWaalsContact O-NE2 3.11Å; V59-H65 HydrophobicContact CG2-CB 4.36Å; T60-H65 PolarHBondContact N-ND1 3.17Å; T60-H65 PolarHBondContact OG1-ND1 2.76Å; R62-H65 HydrophobicContact CB-CB 4.22Å; R62-H65 PolarHBondContact O-N 2.83Å; R62-H65 VanDerWaalsContact O-N 3.15Å; S63-H65 VanDerWaalsContact C-N 3.33Å; S63-H65 PolarHBondContact O-N 3.45Å; H65-N69 WeakPolarHBondContact O-CB 3.48Å; H65-N69 PolarHBondContact O-N 2.77Å; H65-N118 PolarHBondContact CE1-OD1 2.97Å; H65-N118 PolarHBondContact NE2-OD1 2.79Å; H65-E120 WeakPolarHBondContact CA-OE2 3.49Å; H65-E120 HydrophobicContact CB-CB 4.4Å; H65-E120 PolarHBondContact N-OE2 3.14Å |
| 66 | W | 92.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 14.5 Ų | 14.5 | 7% | 0.072 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 172.1 | -75.4 | 93.6 | 0 | 0 | 0 | 111.8 | V59 T60 R62 S63 S64 V68 N69 Y70 F87 K89 R353 Y356 | V59-W66 HydrophobicContact CG1-CD2 4.47Å; V59-W66 HydrophobicContact CG1-CH2 3.75Å; V59-W66 HydrophobicContact CG1-CZ2 3.6Å; V59-W66 HydrophobicContact CG1-CZ3 4.25Å; V59-W66 HydrophobicContact CG2-CB 4.44Å; V59-W66 HydrophobicContact CG2-CD2 3.56Å; V59-W66 HydrophobicContact CG2-CE3 4.09Å; V59-W66 HydrophobicContact CG2-CG 3.73Å; V59-W66 HydrophobicContact CG2-CZ2 4.09Å; T60-W66 PolarHBondContact O-NE1 2.84Å; R62-W66 VanDerWaalsContact O-CD1 3.28Å; R62-W66 PolarHBondContact O-N 2.67Å; S63-W66 PolarHBondContact O-N 2.73Å; S64-W66 VanDerWaalsContact C-N 3.3Å; S64-W66 PolarHBondContact O-N 2.77Å; W66-V68 PolarHBondContact O-N 3.41Å; W66-N69 PolarHBondContact O-N 3.28Å; W66-Y70 HydrophobicContact CB-CE2 4.47Å; W66-Y70 AromaticContact CE3-CE2 3.9Å; W66-Y70 HydrophobicContact CE3-CE2 3.9Å; W66-Y70 WeakPolarHBondContact O-CD2 3.21Å; W66-Y70 PolarHBondContact O-N 3.01Å; W66-F87 HydrophobicContact CE3-CD2 4.13Å; W66-F87 HydrophobicContact CE3-CE2 4.5Å; W66-F87 AromaticContact CZ3-CD2 3.81Å; W66-F87 HydrophobicContact CZ3-CD2 3.81Å; W66-K89 HydrophobicContact CZ2-CD 4.32Å; W66-K89 HydrophobicContact CZ2-CG 4.38Å; W66-R353 HydrophobicContact CE3-CG 4.25Å; W66-R353 HydrophobicContact CH2-CG 4.34Å; W66-R353 HydrophobicContact CZ3-CG 3.95Å; W66-Y356 HydrophobicContact CB-CD2 3.57Å; W66-Y356 HydrophobicContact CB-CE2 4.13Å; W66-Y356 HydrophobicContact CB-CG 4.04Å; W66-Y356 HydrophobicContact CD2-CD2 4.46Å; W66-Y356 AromaticContact CG-CD2 3.86Å; W66-Y356 HydrophobicContact CG-CD2 3.86Å; W66-Y356 HydrophobicContact CG-CE2 4.1Å |
| 67 | I | 92.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | -177.7 | -65.8 | 164.3 | 0 | 0 | 0 | 110.9 | S63 S64 N69 Y70 I71 L337 A341 Y356 I359 A360 | S63-I67 WeakPolarHBondContact O-CG1 3.29Å; S63-I67 PolarHBondContact O-N 3.32Å; S63-I67 VanDerWaalsContact O-N 3.1Å; S64-I67 PolarHBondContact O-N 3.37Å; S64-I67 VanDerWaalsContact O-N 3.1Å; I67-N69 PolarHBondContact O-N 3.39Å; I67-Y70 PolarHBondContact O-N 2.96Å; I67-I71 HydrophobicContact CG2-CD1 4.24Å; I67-I71 WeakPolarHBondContact O-CG1 3.21Å; I67-I71 PolarHBondContact O-N 2.82Å; I67-L337 HydrophobicContact CG2-CD1 4.36Å; I67-L337 HydrophobicContact CG2-CD2 3.88Å; I67-L337 HydrophobicContact CG2-CG 4.49Å; I67-A341 HydrophobicContact CD1-CB 3.68Å; I67-Y356 HydrophobicContact CD1-CD1 4.01Å; I67-Y356 HydrophobicContact CG1-CD1 3.89Å; I67-Y356 HydrophobicContact CG1-CG 4.17Å; I67-I359 HydrophobicContact CD1-CD1 4.22Å; I67-I359 HydrophobicContact CD1-CG2 4.1Å; I67-I359 HydrophobicContact CG1-CG2 4.47Å; I67-I359 HydrophobicContact CG2-CG2 4.15Å; I67-A360 HydrophobicContact CG2-CB 4.22Å |
| 68 | V | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 176.3 | 169 | 0 | 0 | 0 | 0 | 110.9 | S64 W66 Y70 I71 F72 L119 L144 M327 F329 Y334 | S64-V68 WeakPolarHBondContact O-CB 3.27Å; S64-V68 VanDerWaalsContact O-CG2 3.3Å; S64-V68 WeakPolarHBondContact O-CG2 3.26Å; S64-V68 PolarHBondContact O-N 2.68Å; W66-V68 PolarHBondContact O-N 3.41Å; V68-Y70 VanDerWaalsContact C-N 3.33Å; V68-Y70 PolarHBondContact O-N 3.47Å; V68-I71 PolarHBondContact O-N 2.9Å; V68-F72 PolarHBondContact O-N 2.98Å; V68-L119 HydrophobicContact CG1-CB 3.82Å; V68-L119 HydrophobicContact CG1-CD1 4.08Å; V68-L144 HydrophobicContact CG1-CD1 4.13Å; V68-L144 HydrophobicContact CG1-CD2 3.84Å; V68-L144 HydrophobicContact CG2-CD2 3.95Å; V68-M327 HydrophobicContact CG1-CE 4Å; V68-M327 WeakPolarHBondContact O-CE 3.4Å; V68-F329 HydrophobicContact CG1-CE2 4.49Å; V68-F329 HydrophobicContact CG2-CE2 4.25Å; V68-Y334 HydrophobicContact CG2-CE2 4.28Å |
| 69 | N | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 176.5 | -79.4 | 1.9 | 0 | 0 | 0 | 112.4 | L57 E58 H65 W66 I67 F72 E73 F87 L119 | L57-N69 HydrophobicContact CD2-CB 4.33Å; E58-N69 PolarHBondContact O-ND2 3.1Å; H65-N69 WeakPolarHBondContact O-CB 3.48Å; H65-N69 PolarHBondContact O-N 2.77Å; W66-N69 PolarHBondContact O-N 3.28Å; I67-N69 PolarHBondContact O-N 3.39Å; N69-F72 PolarHBondContact O-N 3.47Å; N69-E73 VanDerWaalsContact O-CB 3.28Å; N69-E73 WeakPolarHBondContact O-CB 3.16Å; N69-E73 PolarHBondContact O-N 2.99Å; N69-F87 HydrophobicContact CB-CE1 4.01Å; N69-F87 HydrophobicContact CB-CE2 4.25Å; N69-F87 HydrophobicContact CB-CZ 3.83Å; N69-L119 WeakPolarHBondContact OD1-CD1 3.17Å |
| 70 | Y | 96.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 17.3 Ų | 17.3 | 9% | 0.086 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 173.6 | -80.9 | -57.4 | 0 | 0 | 0 | 112.6 | W66 I67 V68 F72 E73 I74 F87 R353 R357 | W66-Y70 HydrophobicContact CB-CE2 4.47Å; W66-Y70 AromaticContact CE3-CE2 3.9Å; W66-Y70 HydrophobicContact CE3-CE2 3.9Å; W66-Y70 WeakPolarHBondContact O-CD2 3.21Å; W66-Y70 PolarHBondContact O-N 3.01Å; I67-Y70 PolarHBondContact O-N 2.96Å; V68-Y70 VanDerWaalsContact C-N 3.33Å; V68-Y70 PolarHBondContact O-N 3.47Å; Y70-F72 VanDerWaalsContact C-N 3.3Å; Y70-F72 PolarHBondContact O-N 3.26Å; Y70-E73 WeakPolarHBondContact CD1-OE2 3.32Å; Y70-E73 WeakPolarHBondContact CE1-OE2 3.38Å; Y70-E73 PolarHBondContact O-N 2.94Å; Y70-I74 WeakPolarHBondContact O-CB 3.14Å; Y70-I74 WeakPolarHBondContact O-CD1 3.17Å; Y70-I74 WeakPolarHBondContact O-CG1 3.14Å; Y70-I74 PolarHBondContact O-N 2.99Å; Y70-F87 AromaticContact CD1-CE2 3.81Å; Y70-F87 HydrophobicContact CD1-CE2 3.81Å; Y70-F87 HydrophobicContact CD1-CZ 4.06Å; Y70-F87 HydrophobicContact CE1-CD2 4.5Å; Y70-F87 AromaticContact CE1-CE2 3.52Å; Y70-F87 HydrophobicContact CE1-CE2 3.52Å; Y70-F87 HydrophobicContact CE1-CZ 4.16Å; Y70-F87 HydrophobicContact CE2-CE2 4.27Å; Y70-F87 HydrophobicContact CG-CE2 4.27Å; Y70-F87 AromaticContact CZ-CE2 3.76Å; Y70-R353 WeakPolarHBondContact CE2-O 3.34Å; Y70-R353 WeakPolarHBondContact OH-CB 3.39Å; Y70-R357 HydrophobicContact CD1-CB 3.78Å; Y70-R357 HydrophobicContact CD1-CG 3.74Å; Y70-R357 HydrophobicContact CD2-CB 4.09Å; Y70-R357 HydrophobicContact CE1-CB 3.91Å; Y70-R357 HydrophobicContact CE1-CG 4.09Å; Y70-R357 HydrophobicContact CE2-CB 4.2Å; Y70-R357 HydrophobicContact CG-CB 3.91Å; Y70-R357 HydrophobicContact CG-CG 4.17Å |
| 71 | I | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 172.8 | -68.5 | 169.5 | 0 | 0 | 0 | 109.5 | I67 V68 L75 M327 F329 L337 A360 W363 L364 W374 | I67-I71 HydrophobicContact CG2-CD1 4.24Å; I67-I71 WeakPolarHBondContact O-CG1 3.21Å; I67-I71 PolarHBondContact O-N 2.82Å; V68-I71 PolarHBondContact O-N 2.9Å; I71-L75 HydrophobicContact CG2-CD1 4.27Å; I71-L75 WeakPolarHBondContact O-CG 3.11Å; I71-L75 PolarHBondContact O-N 3.16Å; I71-M327 HydrophobicContact CB-CE 3.85Å; I71-M327 HydrophobicContact CG2-CE 3.54Å; I71-F329 HydrophobicContact CD1-CE1 3.82Å; I71-F329 HydrophobicContact CD1-CZ 3.75Å; I71-F329 HydrophobicContact CG2-CZ 4.41Å; I71-L337 HydrophobicContact CD1-CD1 4.01Å; I71-L337 HydrophobicContact CD1-CD2 4.37Å; I71-A360 HydrophobicContact CG1-CB 3.65Å; I71-W363 HydrophobicContact CD1-CD2 4.09Å; I71-W363 HydrophobicContact CD1-CE3 3.66Å; I71-W363 HydrophobicContact CD1-CZ3 4.16Å; I71-W363 HydrophobicContact CG1-CE3 4.18Å; I71-W363 HydrophobicContact CG2-CE3 4.27Å; I71-W363 HydrophobicContact CG2-CZ3 4.01Å; I71-L364 HydrophobicContact CG2-CD2 3.9Å; I71-L364 HydrophobicContact CG2-CG 4.24Å; I71-W374 HydrophobicContact CG2-CZ3 4.3Å |
| 72 | F | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177 | 178.4 | -83.3 | 0 | 0 | 0 | 112.3 | L55 L57 V68 N69 Y70 I74 L75 A76 I117 L119 I320 L323 V324 M327 | L55-F72 HydrophobicContact CD2-CE1 3.87Å; L55-F72 HydrophobicContact CD2-CZ 4.15Å; L57-F72 HydrophobicContact CD1-CD1 4.31Å; L57-F72 HydrophobicContact CD1-CE1 4.05Å; L57-F72 HydrophobicContact CD2-CB 4.43Å; L57-F72 HydrophobicContact CD2-CD1 3.44Å; L57-F72 VanDerWaalsContact CD2-CD1 3.44Å; L57-F72 HydrophobicContact CD2-CE1 3.82Å; L57-F72 HydrophobicContact CD2-CG 4.03Å; L57-F72 HydrophobicContact CG-CD1 4.44Å; L57-F72 HydrophobicContact CG-CE1 4.39Å; V68-F72 PolarHBondContact O-N 2.98Å; N69-F72 PolarHBondContact O-N 3.47Å; Y70-F72 VanDerWaalsContact C-N 3.3Å; Y70-F72 PolarHBondContact O-N 3.26Å; F72-I74 PolarHBondContact O-N 3.12Å; F72-L75 PolarHBondContact O-N 2.88Å; F72-A76 HydrophobicContact CD1-CB 4.31Å; F72-A76 HydrophobicContact CE1-CB 4.05Å; F72-A76 VanDerWaalsContact O-CB 3.28Å; F72-A76 WeakPolarHBondContact O-CB 3.48Å; F72-A76 PolarHBondContact O-N 2.83Å; F72-I117 HydrophobicContact CE1-CD1 4.2Å; F72-I117 HydrophobicContact CE2-CD1 4.36Å; F72-I117 HydrophobicContact CZ-CD1 3.61Å; F72-L119 HydrophobicContact CB-CD1 3.43Å; F72-L119 VanDerWaalsContact CB-CD1 3.43Å; F72-L119 HydrophobicContact CD1-CD1 4.48Å; F72-L119 HydrophobicContact CD2-CD1 3.71Å; F72-L119 HydrophobicContact CD2-CD2 4.26Å; F72-L119 HydrophobicContact CG-CD1 3.63Å; F72-I320 HydrophobicContact CZ-CD1 4.3Å; F72-I320 HydrophobicContact CZ-CG2 4.03Å; F72-L323 HydrophobicContact CD2-CD2 3.71Å; F72-L323 HydrophobicContact CD2-CG 3.82Å; F72-L323 HydrophobicContact CE2-CB 4.27Å; F72-L323 HydrophobicContact CE2-CD2 3.66Å; F72-L323 HydrophobicContact CE2-CG 3.75Å; F72-L323 HydrophobicContact CG-CD2 4.31Å; F72-L323 HydrophobicContact CZ-CD2 4.24Å; F72-V324 HydrophobicContact CE2-CG2 3.55Å; F72-V324 HydrophobicContact CZ-CG2 4.05Å; F72-M327 HydrophobicContact CB-CE 4.37Å; F72-M327 HydrophobicContact CB-SD 4.18Å; F72-M327 HydrophobicContact CD2-SD 4.23Å |
| 73 | E | 96.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 15.1 Ų | 15.1 | 8% | 0.079 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | -178 | -174 | -156.2 | 172.8 | 0 | 0 | 111.3 | N69 Y70 L75 A76 R77 I85 F87 | N69-E73 VanDerWaalsContact O-CB 3.28Å; N69-E73 WeakPolarHBondContact O-CB 3.16Å; N69-E73 PolarHBondContact O-N 2.99Å; Y70-E73 WeakPolarHBondContact CD1-OE2 3.32Å; Y70-E73 WeakPolarHBondContact CE1-OE2 3.38Å; Y70-E73 PolarHBondContact O-N 2.94Å; E73-L75 PolarHBondContact O-N 3.41Å; E73-A76 PolarHBondContact O-N 2.88Å; E73-R77 WeakPolarHBondContact O-CB 3.32Å; E73-R77 PolarHBondContact O-N 2.98Å; E73-R77 IonicContact OE1-CZ 2.84Å; E73-R77 IonicContact OE1-NE 3.85Å; E73-R77 PolarHBondContact OE1-NE 2.85Å; E73-R77 IonicContact OE1-NH1 3.52Å; E73-R77 PolarHBondContact OE1-NH1 3.18Å; E73-R77 IonicContact OE1-NH2 2.95Å; E73-I85 HydrophobicContact CG-CB 4.2Å; E73-I85 HydrophobicContact CG-CD1 4.03Å; E73-I85 HydrophobicContact CG-CG2 4.14Å; E73-F87 HydrophobicContact CB-CE1 4.11Å; E73-F87 HydrophobicContact CB-CZ 3.85Å; E73-F87 HydrophobicContact CG-CE1 4.34Å; E73-F87 HydrophobicContact CG-CZ 4.2Å; E73-F87 WeakPolarHBondContact OE2-CZ 3.2Å |
| 74 | I | 95.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 177.7 | -68.4 | 164.7 | 0 | 0 | 0 | 110 | C33 L34 Y70 F72 E78 R357 A360 C361 L364 | C33-I74 HydrophobicContact CB-CD1 4.32Å; C33-I74 HydrophobicContact CB-CG2 3.65Å; L34-I74 HydrophobicContact CG-CG2 4.32Å; Y70-I74 WeakPolarHBondContact O-CB 3.14Å; Y70-I74 WeakPolarHBondContact O-CD1 3.17Å; Y70-I74 WeakPolarHBondContact O-CG1 3.14Å; Y70-I74 PolarHBondContact O-N 2.99Å; F72-I74 PolarHBondContact O-N 3.12Å; I74-E78 HydrophobicContact CG2-CG 4.39Å; I74-E78 WeakPolarHBondContact O-CA 3.01Å; I74-E78 WeakPolarHBondContact O-CB 3.4Å; I74-E78 PolarHBondContact O-N 3.05Å; I74-R357 HydrophobicContact CD1-CG 4.43Å; I74-A360 HydrophobicContact CD1-CB 4.34Å; I74-C361 HydrophobicContact CD1-CB 4.12Å; I74-L364 HydrophobicContact CB-CD1 3.72Å; I74-L364 HydrophobicContact CD1-CD1 3.97Å; I74-L364 HydrophobicContact CG1-CD1 4.47Å; I74-L364 HydrophobicContact CG2-CD1 3.46Å; I74-L364 VanDerWaalsContact CG2-CD1 3.46Å |
| 75 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -64.8 | -43.1 | 176.7 | -69.1 | 173.8 | 0 | 0 | 0 | 111.5 | L34 I71 F72 E73 R79 L80 L323 L364 W371 W374 T375 | L34-L75 HydrophobicContact CD1-CD2 4.36Å; I71-L75 HydrophobicContact CG2-CD1 4.27Å; I71-L75 WeakPolarHBondContact O-CG 3.11Å; I71-L75 PolarHBondContact O-N 3.16Å; F72-L75 PolarHBondContact O-N 2.88Å; E73-L75 PolarHBondContact O-N 3.41Å; L75-R79 HydrophobicContact CD2-CB 4.18Å; L75-R79 CarbonylContact O-C 3.56Å; L75-R79 WeakPolarHBondContact O-CA 3.49Å; L75-R79 WeakPolarHBondContact O-CB 3.36Å; L75-R79 PolarHBondContact O-N 2.87Å; L75-L80 PolarHBondContact O-N 3.5Å; L75-L323 HydrophobicContact CB-CD1 4.41Å; L75-L323 HydrophobicContact CB-CD2 3.96Å; L75-L323 HydrophobicContact CD1-CD1 3.95Å; L75-L364 HydrophobicContact CD1-CD2 4.06Å; L75-L364 HydrophobicContact CD2-CD2 3.93Å; L75-L364 HydrophobicContact CG-CD2 3.96Å; L75-W371 HydrophobicContact CD1-CB 3.91Å; L75-W371 HydrophobicContact CD2-CB 4.35Å; L75-W371 HydrophobicContact CD2-CD2 3.95Å; L75-W371 HydrophobicContact CD2-CE3 3.71Å; L75-W371 HydrophobicContact CD2-CG 4.24Å; L75-W371 HydrophobicContact CD2-CZ3 4.39Å; L75-W374 HydrophobicContact CD1-CE3 4Å; L75-W374 HydrophobicContact CD1-CZ3 4.36Å; L75-T375 HydrophobicContact CD2-CG2 4.46Å |
| 76 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -64.3 | -45.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F72 E73 L80 G81 Y82 I85 I320 L323 | F72-A76 HydrophobicContact CD1-CB 4.31Å; F72-A76 HydrophobicContact CE1-CB 4.05Å; F72-A76 VanDerWaalsContact O-CB 3.28Å; F72-A76 WeakPolarHBondContact O-CB 3.48Å; F72-A76 PolarHBondContact O-N 2.83Å; E73-A76 PolarHBondContact O-N 2.88Å; A76-L80 CarbonylContact O-C 3.47Å; A76-L80 WeakPolarHBondContact O-CB 3.47Å; A76-G81 PolarHBondContact O-N 2.85Å; A76-Y82 PolarHBondContact O-N 3.23Å; A76-I85 HydrophobicContact CB-CD1 3.38Å; A76-I320 HydrophobicContact CB-CD1 3.66Å; A76-L323 HydrophobicContact CB-CD2 4.35Å |
| 77 | R | 93.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 23.1 Ų | 23.1 | 30% | 0.298 | 10% | 0.101 | S | C | . | . | I | π-helix | trans | -72.2 | -57.3 | 177.8 | -80.3 | 178.9 | 171.7 | 177.4 | 0.4 | 112.7 | E73 G81 Y82 Q83 I85 | E73-R77 WeakPolarHBondContact O-CB 3.32Å; E73-R77 PolarHBondContact O-N 2.98Å; E73-R77 IonicContact OE1-CZ 2.84Å; E73-R77 IonicContact OE1-NE 3.85Å; E73-R77 PolarHBondContact OE1-NE 2.85Å; E73-R77 IonicContact OE1-NH1 3.52Å; E73-R77 PolarHBondContact OE1-NH1 3.18Å; E73-R77 IonicContact OE1-NH2 2.95Å; R77-G81 CarbonylContact O-C 3.57Å; R77-G81 WeakPolarHBondContact O-CA 3.37Å; R77-G81 PolarHBondContact O-N 3.15Å; R77-Y82 WeakPolarHBondContact CA-O 3.32Å; R77-Y82 WeakPolarHBondContact CG-O 3.37Å; R77-Q83 PolarHBondContact NE-O 3.07Å; R77-Q83 PolarHBondContact NH2-O 3.23Å; R77-I85 HydrophobicContact CG-CD1 3.92Å; R77-I85 HydrophobicContact CG-CG1 4.37Å; R77-I85 PolarHBondContact NH2-O 3.06Å |
| 78 | E | 93.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 24.5 Ų | 24.5 | 12% | 0.117 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -83.8 | -42.7 | -168.9 | -61.8 | -170.4 | -162.2 | 0 | 0 | 112.1 | S32 C33 L34 R39 S40 I74 | S32-E78 WeakPolarHBondContact CA-OE1 3.34Å; C33-E78 VanDerWaalsContact N-CD 3.31Å; C33-E78 PolarHBondContact N-OE1 3.23Å; C33-E78 PolarHBondContact N-OE2 3.22Å; L34-E78 WeakPolarHBondContact CB-OE2 3.41Å; L34-E78 HydrophobicContact CD1-CB 4.03Å; L34-E78 HydrophobicContact CG-CB 4.42Å; L34-E78 PolarHBondContact N-OE2 3.45Å; R39-E78 CarbonylContact C-O 3.42Å; R39-E78 WeakPolarHBondContact CA-O 3.22Å; R39-E78 WeakPolarHBondContact CB-O 3.43Å; R39-E78 HydrophobicContact CG-CB 4.09Å; S40-E78 PolarHBondContact N-O 3.5Å; I74-E78 HydrophobicContact CG2-CG 4.39Å; I74-E78 WeakPolarHBondContact O-CA 3.01Å; I74-E78 WeakPolarHBondContact O-CB 3.4Å; I74-E78 PolarHBondContact O-N 3.05Å |
| 79 | R | 94 | Very high | 93.5 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -86.6 | -41.8 | -176.5 | -177.8 | 64.6 | 163.4 | -171.3 | -6 | 112.7 | L34 E38 S40 L75 T375 W378 | L34-R79 HydrophobicContact CD1-CB 3.98Å; E38-R79 VanDerWaalsContact C-NH1 3.31Å; E38-R79 WeakPolarHBondContact O-CD 3.26Å; E38-R79 PolarHBondContact O-NH1 3.13Å; S40-R79 WeakPolarHBondContact CB-O 3.43Å; L75-R79 HydrophobicContact CD2-CB 4.18Å; L75-R79 CarbonylContact O-C 3.56Å; L75-R79 WeakPolarHBondContact O-CA 3.49Å; L75-R79 WeakPolarHBondContact O-CB 3.36Å; L75-R79 PolarHBondContact O-N 2.87Å; R79-T375 HydrophobicContact CG-CG2 3.89Å; R79-W378 HydrophobicContact CG-CD2 4.43Å; R79-W378 HydrophobicContact CG-CG 4.32Å; R79-W378 VanDerWaalsContact NE-CE2 3.34Å |
| 80 | L | 92.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -94.3 | -27.2 | -178.3 | -55.4 | -177.9 | 0 | 0 | 0 | 112.9 | R44 L75 A76 Y82 L319 I320 L323 T375 W378 | R44-L80 WeakPolarHBondContact CD-O 3.3Å; R44-L80 PolarHBondContact NE-O 3Å; L75-L80 PolarHBondContact O-N 3.5Å; A76-L80 CarbonylContact O-C 3.47Å; A76-L80 WeakPolarHBondContact O-CB 3.47Å; L80-Y82 HydrophobicContact CB-CD2 3.85Å; L80-Y82 HydrophobicContact CB-CE2 4.17Å; L80-L319 HydrophobicContact CD1-CB 4.26Å; L80-L319 HydrophobicContact CD2-CB 4.48Å; L80-I320 HydrophobicContact CD1-CD1 4.03Å; L80-L323 HydrophobicContact CD1-CB 4.17Å; L80-L323 HydrophobicContact CD1-CD2 3.88Å; L80-T375 HydrophobicContact CD2-CG2 4.09Å; L80-T375 HydrophobicContact CG-CG2 4.49Å; L80-W378 HydrophobicContact CD2-CB 3.48Å; L80-W378 VanDerWaalsContact CD2-CB 3.48Å |
| 81 | G | 89.1 | Confident | 92.2 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | 100.1 | 3.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | W42 R44 A76 R77 Q83 | W42-G81 WeakPolarHBondContact O-CA 3.21Å; R44-G81 PolarHBondContact N-O 3.11Å; A76-G81 PolarHBondContact O-N 2.85Å; R77-G81 CarbonylContact O-C 3.57Å; R77-G81 WeakPolarHBondContact O-CA 3.37Å; R77-G81 PolarHBondContact O-N 3.15Å; G81-Q83 PolarHBondContact O-N 2.95Å; G81-Q83 PolarHBondContact O-NE2 3.31Å | ||
| 82 | Y | 89.9 | Confident | 91.1 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 103.1 | -177.3 | -72.4 | -85.3 | 0 | 0 | 0 | 112 | R44 A76 R77 L80 V317 L319 I320 | R44-Y82 HydrophobicContact CB-CD1 3.82Å; R44-Y82 HydrophobicContact CB-CD2 4.21Å; R44-Y82 HydrophobicContact CB-CE1 3.76Å; R44-Y82 HydrophobicContact CB-CE2 4.17Å; R44-Y82 HydrophobicContact CB-CG 4.04Å; R44-Y82 WeakPolarHBondContact O-CA 3.21Å; A76-Y82 PolarHBondContact O-N 3.23Å; R77-Y82 WeakPolarHBondContact CA-O 3.32Å; R77-Y82 WeakPolarHBondContact CG-O 3.37Å; L80-Y82 HydrophobicContact CB-CD2 3.85Å; L80-Y82 HydrophobicContact CB-CE2 4.17Å; Y82-V317 HydrophobicContact CD1-CG1 4.24Å; Y82-V317 HydrophobicContact CE1-CG1 3.33Å; Y82-V317 HydrophobicContact CE2-CG1 4.13Å; Y82-V317 WeakPolarHBondContact OH-CG1 3.03Å; Y82-L319 HydrophobicContact CE2-CB 4.37Å; Y82-I320 HydrophobicContact CD1-CG1 4.44Å; Y82-I320 HydrophobicContact CD2-CD1 3.62Å; Y82-I320 HydrophobicContact CD2-CG1 3.67Å; Y82-I320 HydrophobicContact CE1-CG1 4.43Å; Y82-I320 HydrophobicContact CE2-CD1 4.07Å; Y82-I320 HydrophobicContact CE2-CG1 3.65Å; Y82-I320 HydrophobicContact CG-CD1 4.04Å; Y82-I320 HydrophobicContact CG-CG1 4.08Å |
| 83 | Q | 82.4 | Confident | 89.9 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | trans | -73.1 | -39.9 | -169.8 | -61.3 | -58.7 | -30.7 | 0 | 0 | 113.5 | N43 R44 R77 G81 I85 | N43-Q83 HydrophobicContact CB-CG 4.39Å; N43-Q83 PolarHBondContact OD1-NE2 3.24Å; R44-Q83 PolarHBondContact O-N 2.79Å; R77-Q83 PolarHBondContact NE-O 3.07Å; R77-Q83 PolarHBondContact NH2-O 3.23Å; G81-Q83 PolarHBondContact O-N 2.95Å; G81-Q83 PolarHBondContact O-NE2 3.31Å; Q83-I85 PolarHBondContact O-N 3.19Å | ||
| 84 | F | 87.9 | Confident | 89.1 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | trans | -98.7 | 95.7 | -168.7 | -57.5 | -65.3 | 0 | 0 | 0 | 112.6 | E52 R54 L55 | E52-F84 VanDerWaalsContact OE1-CD2 3.29Å; E52-F84 WeakPolarHBondContact OE1-CD2 3.13Å; E52-F84 WeakPolarHBondContact OE1-CE2 3.33Å; R54-F84 WeakPolarHBondContact CA-O 3.19Å; R54-F84 HydrophobicContact CB-CB 4.49Å; R54-F84 HydrophobicContact CG-CB 4.13Å; L55-F84 PolarHBondContact N-O 2.75Å | ||
| 85 | I | 93.1 | Very high | 88.5 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.3 | 178.2 | -52.8 | -176.7 | 0 | 0 | 0 | 108.6 | L55 L57 E73 A76 R77 Q83 F87 | L55-I85 HydrophobicContact CB-CG1 4.4Å; L55-I85 WeakPolarHBondContact O-CA 3.49Å; L57-I85 HydrophobicContact CD1-CG2 3.37Å; E73-I85 HydrophobicContact CG-CB 4.2Å; E73-I85 HydrophobicContact CG-CD1 4.03Å; E73-I85 HydrophobicContact CG-CG2 4.14Å; A76-I85 HydrophobicContact CB-CD1 3.38Å; R77-I85 HydrophobicContact CG-CD1 3.92Å; R77-I85 HydrophobicContact CG-CG1 4.37Å; R77-I85 PolarHBondContact NH2-O 3.06Å; Q83-I85 PolarHBondContact O-N 3.19Å; I85-F87 HydrophobicContact CG2-CE1 4.24Å |
| 86 | E | 94.5 | Very high | 87.8 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134 | -176.1 | -179.1 | -177.5 | 162.8 | 0 | 0 | 110 | R54 L55 K56 L57 | R54-E86 HydrophobicContact CB-CB 4.14Å; L55-E86 PolarHBondContact O-N 3.48Å; K56-E86 CarbonylContact C-O 3.59Å; K56-E86 WeakPolarHBondContact CA-O 3.34Å; K56-E86 HydrophobicContact CG-CB 4.36Å; L57-E86 PolarHBondContact N-O 3.42Å |
| 87 | F | 95.4 | Very high | 87.3 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 20% | 0.197 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.9 | 173.1 | -63.9 | -12.4 | 0 | 0 | 0 | 110.2 | L57 V59 W66 N69 Y70 E73 I85 | L57-F87 HydrophobicContact CB-CD1 4.03Å; L57-F87 HydrophobicContact CB-CE1 4.4Å; L57-F87 HydrophobicContact CD2-CE1 4.4Å; L57-F87 CarbonylContact O-C 3.6Å; L57-F87 WeakPolarHBondContact O-CA 3.49Å; V59-F87 HydrophobicContact CG1-CB 4.14Å; W66-F87 HydrophobicContact CE3-CD2 4.13Å; W66-F87 HydrophobicContact CE3-CE2 4.5Å; W66-F87 AromaticContact CZ3-CD2 3.81Å; W66-F87 HydrophobicContact CZ3-CD2 3.81Å; N69-F87 HydrophobicContact CB-CE1 4.01Å; N69-F87 HydrophobicContact CB-CE2 4.25Å; N69-F87 HydrophobicContact CB-CZ 3.83Å; Y70-F87 AromaticContact CD1-CE2 3.81Å; Y70-F87 HydrophobicContact CD1-CE2 3.81Å; Y70-F87 HydrophobicContact CD1-CZ 4.06Å; Y70-F87 HydrophobicContact CE1-CD2 4.5Å; Y70-F87 AromaticContact CE1-CE2 3.52Å; Y70-F87 HydrophobicContact CE1-CE2 3.52Å; Y70-F87 HydrophobicContact CE1-CZ 4.16Å; Y70-F87 HydrophobicContact CE2-CE2 4.27Å; Y70-F87 HydrophobicContact CG-CE2 4.27Å; Y70-F87 AromaticContact CZ-CE2 3.76Å; E73-F87 HydrophobicContact CB-CE1 4.11Å; E73-F87 HydrophobicContact CB-CZ 3.85Å; E73-F87 HydrophobicContact CG-CE1 4.34Å; E73-F87 HydrophobicContact CG-CZ 4.2Å; E73-F87 WeakPolarHBondContact OE2-CZ 3.2Å; I85-F87 HydrophobicContact CG2-CE1 4.24Å |
| 88 | V | 94.7 | Very high | 87.1 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 99.9 | 178.8 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | K56 L57 V59 V115 | K56-V88 HydrophobicContact CB-CG2 3.96Å; K56-V88 HydrophobicContact CD-CG2 4.16Å; K56-V88 HydrophobicContact CG-CG2 4.17Å; L57-V88 PolarHBondContact O-N 3.39Å; V59-V88 PolarHBondContact N-O 3.48Å; V88-V115 HydrophobicContact CB-CG1 3.71Å; V88-V115 HydrophobicContact CG1-CG1 3.96Å; V88-V115 HydrophobicContact CG2-CG1 3.92Å |
| 89 | K | 92 | Very high | 86.9 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.3 | 178.3 | -169.3 | -177.9 | 179.2 | -174.2 | 0 | 110.4 | V59 N61 W66 | V59-K89 HydrophobicContact CG1-CB 4.1Å; V59-K89 HydrophobicContact CG1-CG 4.42Å; V59-K89 CarbonylContact O-C 3.52Å; V59-K89 WeakPolarHBondContact O-CA 3.26Å; N61-K89 WeakPolarHBondContact OD1-CE 3.34Å; N61-K89 PolarHBondContact OD1-NZ 2.8Å; W66-K89 HydrophobicContact CZ2-CD 4.32Å; W66-K89 HydrophobicContact CZ2-CG 4.38Å |
| 90 | Q | 88.4 | Confident | 86.7 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | trans | -123.4 | 135.7 | 175.3 | -63.7 | -64.6 | -38.6 | 0 | 0 | 109.8 | E58 V59 | E58-Q90 HydrophobicContact CG-CB 4.39Å; E58-Q90 HydrophobicContact CG-CG 3.69Å; V59-Q90 PolarHBondContact O-N 3.29Å | ||
| 91 | D | 77.4 | Confident | 86.7 | Confident | 138 Ų | 138 | 60.3 Ų | 60.3 | 74% | 0.738 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -77.8 | -25.8 | -179.7 | -62.1 | -38 | 0 | 0 | 0 | 112.2 | ||
| 92 | T | 72.3 | Confident | 86.9 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | trans | -114.7 | 128.1 | -179.2 | 71.5 | 0 | 0 | 0 | 0 | 110.4 | H94 R101 | T92-H94 VanDerWaalsContact C-N 3.31Å; T92-R101 PolarHBondContact O-NH2 3.05Å | ||
| 93 | D | 71.7 | Confident | 86.9 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | trans | -95.5 | 17.3 | 175.8 | 72 | -24.5 | 0 | 0 | 0 | 113 | T60 R62 P95 | T60-D93 HydrophobicContact CG2-CB 3.73Å; R62-D93 IonicContact CZ-OD2 3.87Å; R62-D93 IonicContact NH1-OD2 3.4Å; R62-D93 PolarHBondContact NH1-OD2 3.41Å; R62-D93 IonicContact NH2-OD2 2.68Å; D93-P95 WeakPolarHBondContact O-CD 3.37Å | ||
| 94 | H | 80.4 | Confident | 86.9 | Confident | 126 Ų | 126 | 57.2 Ų | 57.2 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | trans | -62.8 | 124.1 | -174 | -142.9 | -4.4 | 0 | 0 | 0 | 110.8 | T92 R96 L97 A98 | T92-H94 VanDerWaalsContact C-N 3.31Å; H94-R96 VanDerWaalsContact C-N 3.32Å; H94-R96 PolarHBondContact O-N 3.25Å; H94-R96 VanDerWaalsContact O-N 3.13Å; H94-L97 HydrophobicContact CB-CD1 4.17Å; H94-L97 HydrophobicContact CB-CG 4.41Å; H94-L97 PolarHBondContact O-N 3.42Å; H94-A98 PolarHBondContact O-N 2.95Å; H94-A98 VanDerWaalsContact O-N 3.08Å | ||
| 95 | P | 83 | Confident | 86.5 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.6 | -39 | -168.3 | -34.4 | 38.9 | 0 | 0 | 0 | 116.6 | D93 A98 I99 L121 L123 W132 | D93-P95 WeakPolarHBondContact O-CD 3.37Å; P95-A98 PolarHBondContact O-N 3.44Å; P95-I99 PolarHBondContact O-N 3.15Å; P95-L121 HydrophobicContact CB-CD2 4.32Å; P95-L123 HydrophobicContact CB-CD2 3.54Å; P95-L123 HydrophobicContact CG-CD2 3.81Å; P95-W132 HydrophobicContact CB-CH2 3.54Å; P95-W132 HydrophobicContact CB-CZ3 3.36Å |
| 96 | R | 82.1 | Confident | 85.8 | Confident | 184 Ų | 184 | 59 Ų | 59 | 69% | 0.694 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.4 | -40.9 | 178.4 | -72.2 | -175.1 | 174.9 | 171.5 | -0.1 | 112.5 | H94 I99 S100 W132 | H94-R96 VanDerWaalsContact C-N 3.32Å; H94-R96 PolarHBondContact O-N 3.25Å; H94-R96 VanDerWaalsContact O-N 3.13Å; R96-I99 PolarHBondContact O-N 3.01Å; R96-S100 WeakPolarHBondContact O-CB 3.37Å; R96-S100 PolarHBondContact O-N 2.74Å; R96-W132 HydrophobicContact CG-CD2 4.24Å; R96-W132 HydrophobicContact CG-CE3 4.08Å; R96-W132 HydrophobicContact CG-CZ3 4.3Å |
| 97 | L | 86.7 | Confident | 84.8 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 41% | 0.414 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 178.6 | -64.9 | 177.1 | 0 | 0 | 0 | 110.5 | H94 I99 S100 R101 | H94-L97 HydrophobicContact CB-CD1 4.17Å; H94-L97 HydrophobicContact CB-CG 4.41Å; H94-L97 PolarHBondContact O-N 3.42Å; L97-I99 PolarHBondContact O-N 2.7Å; L97-S100 PolarHBondContact O-N 3.43Å; L97-S100 PolarHBondContact O-OG 2.75Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 3.01Å; L97-R101 VanDerWaalsContact O-N 3.14Å |
| 98 | A | 87.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | H94 P95 R101 L102 L121 | H94-A98 PolarHBondContact O-N 2.95Å; H94-A98 VanDerWaalsContact O-N 3.08Å; P95-A98 PolarHBondContact O-N 3.44Å; A98-R101 VanDerWaalsContact CA-NH2 3.33Å; A98-R101 PolarHBondContact O-N 2.7Å; A98-L102 PolarHBondContact O-N 3.2Å; A98-L121 HydrophobicContact CB-CD1 3.57Å; A98-L121 HydrophobicContact CB-CD2 3.97Å; A98-L121 HydrophobicContact CB-CG 4.4Å |
| 99 | I | 89.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 177.3 | -80.9 | 165.4 | 0 | 0 | 0 | 112.2 | P95 R96 L97 R101 L102 D103 L121 T129 W132 V133 L308 | P95-I99 PolarHBondContact O-N 3.15Å; R96-I99 PolarHBondContact O-N 3.01Å; L97-I99 PolarHBondContact O-N 2.7Å; I99-R101 PolarHBondContact O-N 2.66Å; I99-L102 PolarHBondContact O-N 3.47Å; I99-L102 VanDerWaalsContact O-N 3.15Å; I99-D103 PolarHBondContact O-N 3.46Å; I99-D103 VanDerWaalsContact O-N 3.11Å; I99-L121 HydrophobicContact CD1-CD2 4.3Å; I99-L121 HydrophobicContact CG1-CD2 4.26Å; I99-T129 HydrophobicContact CD1-CG2 4.05Å; I99-W132 HydrophobicContact CD1-CD2 4.37Å; I99-W132 HydrophobicContact CD1-CE3 3.28Å; I99-W132 HydrophobicContact CD1-CZ3 3.6Å; I99-W132 HydrophobicContact CG1-CE3 4.41Å; I99-W132 HydrophobicContact CG2-CB 4.46Å; I99-V133 HydrophobicContact CG2-CB 3.91Å; I99-V133 HydrophobicContact CG2-CG2 3.28Å; I99-L308 HydrophobicContact CD1-CD1 3.78Å; I99-L308 HydrophobicContact CG1-CD1 3.41Å; I99-L308 VanDerWaalsContact CG1-CD1 3.41Å |
| 100 | S | 89.1 | Confident | 81.6 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -27.7 | 177.2 | 76.8 | 0 | 0 | 0 | 0 | 113.7 | R96 L97 | R96-S100 WeakPolarHBondContact O-CB 3.37Å; R96-S100 PolarHBondContact O-N 2.74Å; L97-S100 PolarHBondContact O-N 3.43Å; L97-S100 PolarHBondContact O-OG 2.75Å |
| 101 | R | 92.8 | Very high | 81.2 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.7 | -28.1 | 176.8 | -71 | -177 | -73.3 | -99.9 | 7.6 | 113 | E58 T92 L97 A98 I99 P113 D114 V115 | E58-R101 IonicContact OE1-CZ 3.6Å; E58-R101 IonicContact OE1-NE 3.64Å; E58-R101 IonicContact OE1-NH2 2.73Å; E58-R101 PolarHBondContact OE1-NH2 2.88Å; E58-R101 IonicContact OE2-CZ 3.94Å; E58-R101 IonicContact OE2-NE 2.89Å; E58-R101 PolarHBondContact OE2-NE 2.71Å; E58-R101 IonicContact OE2-NH2 3.57Å; T92-R101 PolarHBondContact O-NH2 3.05Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 3.01Å; L97-R101 VanDerWaalsContact O-N 3.14Å; A98-R101 VanDerWaalsContact CA-NH2 3.33Å; A98-R101 PolarHBondContact O-N 2.7Å; I99-R101 PolarHBondContact O-N 2.66Å; R101-P113 WeakPolarHBondContact O-CB 3.44Å; R101-D114 HydrophobicContact CB-CB 4.43Å; R101-D114 PolarHBondContact O-N 3.45Å; R101-D114 VanDerWaalsContact O-N 3.08Å; R101-V115 HydrophobicContact CB-CG2 3.79Å; R101-V115 PolarHBondContact O-N 2.59Å |
| 102 | L | 92.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -82.2 | -21 | 174.4 | -74.7 | 164.2 | 0 | 0 | 0 | 113 | A98 I99 P113 V115 H116 N118 V138 L308 | A98-L102 PolarHBondContact O-N 3.2Å; I99-L102 PolarHBondContact O-N 3.47Å; I99-L102 VanDerWaalsContact O-N 3.15Å; L102-P113 WeakPolarHBondContact O-CB 3.5Å; L102-V115 HydrophobicContact CD2-CG2 3.86Å; L102-V115 HydrophobicContact CG-CG2 3.9Å; L102-H116 WeakPolarHBondContact CD2-O 3.41Å; L102-N118 HydrophobicContact CD1-CB 3.98Å; L102-V138 HydrophobicContact CB-CG1 4.29Å; L102-V138 HydrophobicContact CB-CG2 3.86Å; L102-V138 HydrophobicContact CD1-CG1 4.44Å; L102-L308 HydrophobicContact CD1-CB 3.43Å; L102-L308 VanDerWaalsContact CD1-CB 3.43Å; L102-L308 HydrophobicContact CD1-CD1 4.16Å; L102-L308 HydrophobicContact CD1-CG 4.46Å |
| 103 | D | 90.1 | Very high | 82.3 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -70.1 | 135.4 | -176 | -169.6 | 16.9 | 0 | 0 | 0 | 112.4 | I99 K105 V133 R137 V138 | I99-D103 PolarHBondContact O-N 3.46Å; I99-D103 VanDerWaalsContact O-N 3.11Å; D103-K105 PolarHBondContact O-N 3.13Å; D103-V133 HydrophobicContact CB-CG1 4.36Å; D103-V133 HydrophobicContact CB-CG2 4.35Å; D103-R137 VanDerWaalsContact CG-CZ 3.48Å; D103-R137 WeakPolarHBondContact OD1-CB 3.25Å; D103-R137 IonicContact OD1-CZ 2.82Å; D103-R137 IonicContact OD1-NE 2.85Å; D103-R137 PolarHBondContact OD1-NE 3.11Å; D103-R137 IonicContact OD1-NH2 3.73Å; D103-R137 PolarHBondContact OD1-NH2 3.19Å; D103-R137 IonicContact OD2-CZ 3.81Å; D103-R137 IonicContact OD2-NE 3.88Å; D103-R137 IonicContact OD2-NH1 3.82Å; D103-R137 IonicContact OD2-NH2 2.88Å; D103-R137 PolarHBondContact OD2-NH2 3.17Å; D103-V138 HydrophobicContact CB-CG2 4.25Å |
| 104 | C | 83.8 | Confident | 83.2 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | trans | -56.3 | 136 | 177 | -55 | 0 | 0 | 0 | 0 | 110.7 | D106 C109 R137 W310 | C104-D106 WeakPolarHBondContact CB-O 3.46Å; C104-D106 PolarHBondContact O-N 2.88Å; C104-C109 HydrophobicContact CB-CB 3.78Å; C104-C109 WeakPolarHBondContact CB-SG 3.4Å; C104-C109 WeakPolarHBondContact SG-CB 3.48Å; C104-C109 CovalentContact SG-SG 2.03Å; C104-C109 PolarHBondContact SG-SG 2.89Å; C104-R137 PolarHBondContact O-NH2 3.29Å; C104-W310 PolarHBondContact SG-NE1 3.29Å | ||
| 105 | K | 78.1 | Confident | 83.8 | Confident | 107 Ų | 107 | 54.5 Ų | 54.5 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -74.3 | -7.7 | 178.9 | -58 | -63.6 | -174.4 | -173.4 | 0 | 113.7 | D103 K111 D114 | D103-K105 PolarHBondContact O-N 3.13Å; K105-K111 HydrophobicContact CB-CB 4.02Å; K105-K111 HydrophobicContact CB-CD 4.36Å; K105-D114 WeakPolarHBondContact CE-OD1 3.22Å; K105-D114 WeakPolarHBondContact CE-OD2 3.15Å; K105-D114 IonicContact NZ-OD1 3.99Å; K105-D114 PolarHBondContact NZ-OD1 3.04Å; K105-D114 IonicContact NZ-OD2 3.14Å; K105-D114 PolarHBondContact NZ-OD2 3.4Å |
| 106 | D | 79.8 | Confident | 84.4 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -139.4 | 158.5 | 177.9 | 71.6 | -46.9 | 0 | 0 | 0 | 112.1 | C104 N108 C109 Y110 K111 | C104-D106 WeakPolarHBondContact CB-O 3.46Å; C104-D106 PolarHBondContact O-N 2.88Å; D106-N108 VanDerWaalsContact C-N 3.35Å; D106-N108 PolarHBondContact O-N 2.96Å; D106-C109 PolarHBondContact O-N 3.09Å; D106-C109 VanDerWaalsContact O-N 3.12Å; D106-C109 VanDerWaalsContact OD1-C 3.3Å; D106-C109 WeakPolarHBondContact OD1-CA 3.46Å; D106-C109 PolarHBondContact OD1-N 3.34Å; D106-Y110 VanDerWaalsContact CG-N 3.27Å; D106-Y110 PolarHBondContact OD1-N 3.43Å; D106-Y110 WeakPolarHBondContact OD2-CB 3.4Å; D106-Y110 PolarHBondContact OD2-N 2.98Å; D106-K111 PolarHBondContact OD1-N 3.25Å |
| 107 | S | 72.6 | Confident | 85.1 | Confident | 97 Ų | 97 | 44.7 Ų | 44.7 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.1 | -174.4 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | C109 | S107-C109 VanDerWaalsContact C-N 3.32Š|
| 108 | N | 70.7 | Confident | 85.5 | Confident | 99 Ų | 99 | 41 Ų | 41 | 53% | 0.529 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 3.2 | 178.7 | -67.6 | -28.5 | 0 | 0 | 0 | 112.9 | D106 Y110 K312 | D106-N108 VanDerWaalsContact C-N 3.35Å; D106-N108 PolarHBondContact O-N 2.96Å; N108-Y110 VanDerWaalsContact C-N 3.28Å; N108-Y110 HydrophobicContact CB-CD2 3.37Å; N108-Y110 HydrophobicContact CB-CE2 3.28Å; N108-Y110 HydrophobicContact CB-CG 4.37Å; N108-Y110 PolarHBondContact O-N 3.32Å; N108-K312 WeakPolarHBondContact O-CE 3.17Å; N108-K312 PolarHBondContact O-NZ 2.98Å |
| 109 | C | 72.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | trans | 51.1 | 40.8 | -174.9 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | F48 C104 D106 S107 K312 | F48-C109 VanDerWaalsContact CZ-O 3.28Å; F48-C109 WeakPolarHBondContact CZ-O 3.38Å; C104-C109 HydrophobicContact CB-CB 3.78Å; C104-C109 WeakPolarHBondContact CB-SG 3.4Å; C104-C109 WeakPolarHBondContact SG-CB 3.48Å; C104-C109 CovalentContact SG-SG 2.03Å; C104-C109 PolarHBondContact SG-SG 2.89Å; D106-C109 PolarHBondContact O-N 3.09Å; D106-C109 VanDerWaalsContact O-N 3.12Å; D106-C109 VanDerWaalsContact OD1-C 3.3Å; D106-C109 WeakPolarHBondContact OD1-CA 3.46Å; D106-C109 PolarHBondContact OD1-N 3.34Å; S107-C109 VanDerWaalsContact C-N 3.32Å; C109-K312 VanDerWaalsContact C-NZ 3.34Å; C109-K312 HydrophobicContact CB-CD 3.9Å; C109-K312 HydrophobicContact CB-CG 4.25Å; C109-K312 WeakPolarHBondContact O-CD 3.36Å; C109-K312 WeakPolarHBondContact O-CE 3.34Å; C109-K312 PolarHBondContact O-NZ 2.85Å | ||
| 110 | Y | 72.4 | Confident | 86 | Confident | 141 Ų | 141 | 40.8 Ų | 40.8 | 55% | 0.553 | 21% | 0.208 | S | C | * | . | trans | -84 | -15 | 170.3 | -67.1 | -64.5 | 0 | 0 | 0 | 112.6 | F48 N49 D106 N108 | F48-Y110 WeakPolarHBondContact CE1-O 3.27Å; N49-Y110 PolarHBondContact ND2-O 2.92Å; D106-Y110 VanDerWaalsContact CG-N 3.27Å; D106-Y110 PolarHBondContact OD1-N 3.43Å; D106-Y110 WeakPolarHBondContact OD2-CB 3.4Å; D106-Y110 PolarHBondContact OD2-N 2.98Å; N108-Y110 VanDerWaalsContact C-N 3.28Å; N108-Y110 HydrophobicContact CB-CD2 3.37Å; N108-Y110 HydrophobicContact CB-CE2 3.28Å; N108-Y110 HydrophobicContact CB-CG 4.37Å; N108-Y110 PolarHBondContact O-N 3.32Å | ||
| 111 | K | 78.1 | Confident | 86.1 | Confident | 135 Ų | 135 | 38.1 Ų | 38.1 | 59% | 0.587 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -101.1 | 133.4 | 172.1 | -69.5 | -175.6 | 178.5 | 178.9 | 0 | 110.3 | K105 D106 | K105-K111 HydrophobicContact CB-CB 4.02Å; K105-K111 HydrophobicContact CB-CD 4.36Å; D106-K111 PolarHBondContact OD1-N 3.25Å |
| 112 | L | 82.9 | Confident | 85.8 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 142.7 | 178.1 | -71.9 | 134.4 | 0 | 0 | 0 | 111.2 | F46 F48 L53 W310 | F46-L112 HydrophobicContact CE1-CD2 4.2Å; F46-L112 HydrophobicContact CZ-CD2 4.12Å; F48-L112 HydrophobicContact CB-CD2 4.42Å; F48-L112 HydrophobicContact CD1-CD1 3.95Å; F48-L112 HydrophobicContact CD1-CD2 3.9Å; F48-L112 HydrophobicContact CD1-CG 3.71Å; F48-L112 HydrophobicContact CE1-CG 4.15Å; F48-L112 HydrophobicContact CG-CD2 4.38Å; L53-L112 HydrophobicContact CD1-CD1 3.3Å; L53-L112 HydrophobicContact CD1-CD2 3.64Å; L53-L112 HydrophobicContact CD1-CG 4.06Å; L53-L112 HydrophobicContact CD2-CD1 3.87Å; L53-L112 HydrophobicContact CG-CD1 4.22Å; L112-W310 HydrophobicContact CD2-CH2 4.39Å |
| 113 | P | 91.2 | Very high | 85.4 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -72 | 171.6 | 169.9 | 27.3 | -27.8 | 0 | 0 | 0 | 111.9 | R101 L102 V115 W310 | R101-P113 WeakPolarHBondContact O-CB 3.44Å; L102-P113 WeakPolarHBondContact O-CB 3.5Å; P113-V115 VanDerWaalsContact C-N 3.33Å; P113-V115 WeakPolarHBondContact CB-O 3.38Å; P113-V115 WeakPolarHBondContact CG-O 3.46Å; P113-W310 HydrophobicContact CG-CB 3.96Å; P113-W310 HydrophobicContact CG-CD2 4.31Å; P113-W310 HydrophobicContact CG-CG 3.76Å |
| 114 | D | 90.3 | Very high | 84.8 | Confident | 76 Ų | 76 | 39.4 Ų | 39.4 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -70.4 | -35.2 | -176.9 | -59.3 | -32.3 | 0 | 0 | 0 | 111.2 | K56 R101 K105 | K56-D114 WeakPolarHBondContact CD-O 3.43Å; R101-D114 HydrophobicContact CB-CB 4.43Å; R101-D114 PolarHBondContact O-N 3.45Å; R101-D114 VanDerWaalsContact O-N 3.08Å; K105-D114 WeakPolarHBondContact CE-OD1 3.22Å; K105-D114 WeakPolarHBondContact CE-OD2 3.15Å; K105-D114 IonicContact NZ-OD1 3.99Å; K105-D114 PolarHBondContact NZ-OD1 3.04Å; K105-D114 IonicContact NZ-OD2 3.14Å; K105-D114 PolarHBondContact NZ-OD2 3.4Å |
| 115 | V | 93.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -130.7 | 153.1 | 171.1 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | E58 V88 R101 L102 P113 | E58-V115 HydrophobicContact CB-CB 4.39Å; E58-V115 HydrophobicContact CB-CG1 4.19Å; E58-V115 HydrophobicContact CB-CG2 4.25Å; V88-V115 HydrophobicContact CB-CG1 3.71Å; V88-V115 HydrophobicContact CG1-CG1 3.96Å; V88-V115 HydrophobicContact CG2-CG1 3.92Å; R101-V115 HydrophobicContact CB-CG2 3.79Å; R101-V115 PolarHBondContact O-N 2.59Å; L102-V115 HydrophobicContact CD2-CG2 3.86Å; L102-V115 HydrophobicContact CG-CG2 3.9Å; P113-V115 VanDerWaalsContact C-N 3.33Å; P113-V115 WeakPolarHBondContact CB-O 3.38Å; P113-V115 WeakPolarHBondContact CG-O 3.46Å | ||
| 116 | H | 95 | Very high | 84.1 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -101.4 | -27.6 | -177.5 | -52.1 | 148.6 | 0 | 0 | 0 | 112.8 | F46 R54 L55 K56 L102 S309 W310 | F46-H116 AromaticContact CE1-CE1 3.48Å; F46-H116 VanDerWaalsContact CE1-CE1 3.48Å; F46-H116 WeakPolarHBondContact CE1-CE1 3.37Å; F46-H116 AromaticContact CE1-ND1 3.65Å; R54-H116 PolarHBondContact O-CE1 3.48Å; L55-H116 HydrophobicContact CD1-CB 4.11Å; K56-H116 PolarHBondContact N-ND1 3.36Å; K56-H116 VanDerWaalsContact N-ND1 3.17Å; K56-H116 PolarHBondContact O-N 2.88Å; L102-H116 WeakPolarHBondContact CD2-O 3.41Å; H116-S309 WeakPolarHBondContact O-CA 3.47Å; H116-W310 PolarHBondContact O-N 3.35Å |
| 117 | I | 97.1 | Very high | 84 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.1 | -174.6 | -55.9 | 166.6 | 0 | 0 | 0 | 109.5 | L55 K56 L57 E58 F72 L119 L308 L313 I320 V324 | L55-I117 HydrophobicContact CD1-CD1 4Å; L55-I117 HydrophobicContact CD2-CD1 3.95Å; L55-I117 HydrophobicContact CG-CD1 4.16Å; K56-I117 PolarHBondContact O-N 3.31Å; L57-I117 WeakPolarHBondContact CA-O 3.46Å; L57-I117 HydrophobicContact CG-CB 4.31Å; E58-I117 PolarHBondContact N-O 3.05Å; F72-I117 HydrophobicContact CE1-CD1 4.2Å; F72-I117 HydrophobicContact CE2-CD1 4.36Å; F72-I117 HydrophobicContact CZ-CD1 3.61Å; I117-L119 HydrophobicContact CG2-CD2 3.6Å; I117-L119 HydrophobicContact CG2-CG 3.86Å; I117-L308 WeakPolarHBondContact CA-O 3.49Å; I117-L313 HydrophobicContact CD1-CD2 3.87Å; I117-L313 HydrophobicContact CG1-CD2 3.69Å; I117-I320 HydrophobicContact CD1-CG2 3.87Å; I117-V324 HydrophobicContact CD1-CG2 3.7Å; I117-V324 HydrophobicContact CG1-CG2 4.16Å; I117-V324 HydrophobicContact CG2-CG1 4.32Å; I117-V324 HydrophobicContact CG2-CG2 3.89Å |
| 118 | N | 95.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 114.2 | 163.7 | -174.9 | -27.4 | 0 | 0 | 0 | 107.8 | E58 H65 L102 E120 K307 L308 | E58-N118 HydrophobicContact CB-CB 4.1Å; E58-N118 VanDerWaalsContact CD-ND2 3.32Å; E58-N118 PolarHBondContact OE1-ND2 2.83Å; H65-N118 PolarHBondContact CE1-OD1 2.97Å; H65-N118 PolarHBondContact NE2-OD1 2.79Å; L102-N118 HydrophobicContact CD1-CB 3.98Å; N118-E120 PolarHBondContact OD1-N 2.87Å; N118-E120 VanDerWaalsContact OD1-N 3.14Å; N118-K307 CarbonylContact O-C 3.54Å; N118-K307 WeakPolarHBondContact O-CA 3.2Å; N118-L308 PolarHBondContact N-O 3.42Å; N118-L308 PolarHBondContact O-N 2.94Å |
| 119 | L | 95.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -20 | -174.4 | -65.9 | 177 | 0 | 0 | 0 | 113.1 | L57 V68 N69 F72 I117 K307 V324 M327 | L57-L119 HydrophobicContact CD2-CD1 4.06Å; V68-L119 HydrophobicContact CG1-CB 3.82Å; V68-L119 HydrophobicContact CG1-CD1 4.08Å; N69-L119 WeakPolarHBondContact OD1-CD1 3.17Å; F72-L119 HydrophobicContact CB-CD1 3.43Å; F72-L119 VanDerWaalsContact CB-CD1 3.43Å; F72-L119 HydrophobicContact CD1-CD1 4.48Å; F72-L119 HydrophobicContact CD2-CD1 3.71Å; F72-L119 HydrophobicContact CD2-CD2 4.26Å; F72-L119 HydrophobicContact CG-CD1 3.63Å; I117-L119 HydrophobicContact CG2-CD2 3.6Å; I117-L119 HydrophobicContact CG2-CG 3.86Å; L119-K307 WeakPolarHBondContact O-CG 3.38Å; L119-V324 HydrophobicContact CD2-CG1 4.04Å; L119-V324 HydrophobicContact CD2-CG2 4.29Å; L119-M327 HydrophobicContact CD1-SD 4.18Å |
| 120 | E | 92 | Very high | 85 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 74.4 | -172.9 | -163.9 | -168.3 | 133.8 | 0 | 0 | 111.7 | R62 S64 H65 N118 W122 L144 A305 Y334 | R62-E120 IonicContact NE-OE1 3.68Å; R62-E120 PolarHBondContact NE-OE1 3.02Å; R62-E120 PolarHBondContact NH2-O 3.42Å; S64-E120 WeakPolarHBondContact CB-OE2 3.48Å; S64-E120 PolarHBondContact OG-OE1 3.2Å; S64-E120 PolarHBondContact OG-OE2 2.03Å; H65-E120 WeakPolarHBondContact CA-OE2 3.49Å; H65-E120 HydrophobicContact CB-CB 4.4Å; H65-E120 PolarHBondContact N-OE2 3.14Å; N118-E120 PolarHBondContact OD1-N 2.87Å; N118-E120 VanDerWaalsContact OD1-N 3.14Å; E120-W122 PolarHBondContact OE1-NE1 3.03Å; E120-L144 HydrophobicContact CB-CD2 4.1Å; E120-L144 HydrophobicContact CG-CD2 4.04Å; E120-A305 HydrophobicContact CG-CB 4.03Å; E120-Y334 PolarHBondContact OE1-OH 3.45Å; E120-Y334 PolarHBondContact OE2-OH 3.01Å |
| 121 | L | 91.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.7 | 168.4 | -170.6 | 63.8 | 0 | 0 | 0 | 110.6 | P95 A98 I99 L123 A305 T306 L308 | P95-L121 HydrophobicContact CB-CD2 4.32Å; A98-L121 HydrophobicContact CB-CD1 3.57Å; A98-L121 HydrophobicContact CB-CD2 3.97Å; A98-L121 HydrophobicContact CB-CG 4.4Å; I99-L121 HydrophobicContact CD1-CD2 4.3Å; I99-L121 HydrophobicContact CG1-CD2 4.26Å; L121-L123 HydrophobicContact CD2-CD2 3.95Å; L121-L123 HydrophobicContact CG-CD2 4.05Å; L121-L123 HydrophobicContact CG-CG 4.43Å; L121-L123 PolarHBondContact O-N 3.15Å; L121-A305 CarbonylContact O-C 3.5Å; L121-A305 WeakPolarHBondContact O-CA 3.49Å; L121-T306 PolarHBondContact N-O 3.35Å; L121-T306 VanDerWaalsContact N-O 3.08Å; L121-T306 PolarHBondContact O-N 3.11Å; L121-L308 HydrophobicContact CD2-CD1 3.58Å |
| 122 | W | 85.7 | Confident | 85.3 | Confident | 25 Ų | 25 | 36 Ų | 36 | 10% | 0.095 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.2 | 179.2 | -71.6 | 82.2 | 0 | 0 | 0 | 110.8 | R62 E120 N148 Q303 A305 Y334 | R62-W122 VanDerWaalsContact NH1-CD1 3.27Å; E120-W122 PolarHBondContact OE1-NE1 3.03Å; W122-N148 HydrophobicContact CH2-CB 4.12Å; W122-N148 HydrophobicContact CZ3-CB 4.12Å; W122-Q303 HydrophobicContact CE3-CB 3.9Å; W122-A305 HydrophobicContact CD2-CB 4.04Å; W122-A305 HydrophobicContact CE3-CB 4.26Å; W122-A305 HydrophobicContact CH2-CB 4.12Å; W122-A305 HydrophobicContact CZ2-CB 3.89Å; W122-A305 HydrophobicContact CZ3-CB 4.29Å; W122-Y334 HydrophobicContact CH2-CE1 4.44Å; W122-Y334 HydrophobicContact CZ2-CE1 4.07Å |
| 123 | L | 85 | Confident | 85.4 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.9 | 179.3 | -58.6 | 179.9 | 0 | 0 | 0 | 109.9 | P95 L121 T127 T129 W132 Q303 Q304 T306 | P95-L123 HydrophobicContact CB-CD2 3.54Å; P95-L123 HydrophobicContact CG-CD2 3.81Å; L121-L123 HydrophobicContact CD2-CD2 3.95Å; L121-L123 HydrophobicContact CG-CD2 4.05Å; L121-L123 HydrophobicContact CG-CG 4.43Å; L121-L123 PolarHBondContact O-N 3.15Å; L123-T127 HydrophobicContact CB-CG2 4.39Å; L123-T127 HydrophobicContact CD1-CG2 4.33Å; L123-T127 HydrophobicContact CD2-CG2 4.33Å; L123-T129 HydrophobicContact CD1-CG2 3.48Å; L123-T129 VanDerWaalsContact CD1-CG2 3.48Å; L123-W132 HydrophobicContact CD2-CH2 4.14Å; L123-W132 HydrophobicContact CD2-CZ3 4.21Å; L123-Q303 CarbonylContact O-C 3.57Å; L123-Q303 WeakPolarHBondContact O-CA 3.44Å; L123-Q303 WeakPolarHBondContact O-CB 3.5Å; L123-Q304 PolarHBondContact N-O 3.45Å; L123-Q304 PolarHBondContact O-N 3.37Å; L123-T306 HydrophobicContact CD1-CG2 4.2Å |
| 124 | S | 77.4 | Confident | 85.1 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 146.3 | 170.2 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | G126 T127 | S124-G126 PolarHBondContact O-N 3.02Å; S124-T127 VanDerWaalsContact O-CB 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.37Å; S124-T127 PolarHBondContact O-N 2.74Å; S124-T127 PolarHBondContact O-OG1 3.27Å |
| 125 | L | 72.8 | Confident | 84.6 | Confident | 91 Ų | 91 | 39 Ų | 39 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131 | 178.1 | -73.8 | -179.2 | 0 | 0 | 0 | 111.8 | T147 S302 Q304 | L125-T147 HydrophobicContact CD1-CG2 4.43Å; L125-T147 HydrophobicContact CD2-CG2 3.58Å; L125-S302 VanDerWaalsContact CD1-CB 3.46Å; L125-S302 PolarHBondContact N-O 3.15Å; L125-Q304 HydrophobicContact CD2-CB 4.17Å |
| 126 | G | 74.2 | Confident | 84.1 | Confident | 74 Ų | 74 | 44.4 Ų | 44.4 | 76% | 0.763 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -1.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S124 I128 | S124-G126 PolarHBondContact O-N 3.02Å; G126-I128 PolarHBondContact O-N 3.11Å |
| 127 | T | 78.2 | Confident | 83.8 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | trans | -66.4 | 118.6 | 173.2 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | L123 S124 W132 | L123-T127 HydrophobicContact CB-CG2 4.39Å; L123-T127 HydrophobicContact CD1-CG2 4.33Å; L123-T127 HydrophobicContact CD2-CG2 4.33Å; S124-T127 VanDerWaalsContact O-CB 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.37Å; S124-T127 PolarHBondContact O-N 2.74Å; S124-T127 PolarHBondContact O-OG1 3.27Å; T127-W132 HydrophobicContact CG2-CH2 3.63Å; T127-W132 HydrophobicContact CG2-CZ2 3.57Å | ||
| 128 | I | 77.4 | Confident | 83.5 | Confident | 109 Ų | 109 | 47.6 Ų | 47.6 | 56% | 0.559 | 27% | 0.274 | S | S | * | . | trans | -98.3 | 107 | 177.3 | -52.9 | 176.2 | 0 | 0 | 0 | 108.5 | G126 S130 S131 | G126-I128 PolarHBondContact O-N 3.11Å; I128-S130 WeakPolarHBondContact CG2-OG 3.29Å; I128-S130 PolarHBondContact O-N 3.23Å; I128-S131 VanDerWaalsContact O-CB 3.29Å; I128-S131 WeakPolarHBondContact O-CB 2.97Å; I128-S131 PolarHBondContact O-N 3.44Å; I128-S131 PolarHBondContact O-OG 2.99Å | ||
| 129 | T | 79.5 | Confident | 83.3 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -62 | -29.8 | -177.9 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | I99 L123 S131 W132 V133 D140 L308 | I99-T129 HydrophobicContact CD1-CG2 4.05Å; L123-T129 HydrophobicContact CD1-CG2 3.48Å; L123-T129 VanDerWaalsContact CD1-CG2 3.48Å; T129-S131 PolarHBondContact O-N 3.28Å; T129-W132 PolarHBondContact O-N 3.45Å; T129-V133 PolarHBondContact O-N 3.25Å; T129-D140 WeakPolarHBondContact CG2-OD2 3.4Å; T129-D140 WeakPolarHBondContact OG1-CB 3.44Å; T129-D140 PolarHBondContact OG1-OD2 2.85Å; T129-L308 HydrophobicContact CG2-CD2 4.08Å |
| 130 | S | 80.6 | Confident | 83.2 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -63.3 | -20 | 175.2 | 70.5 | 0 | 0 | 0 | 0 | 114.2 | I128 W132 V133 H135 | I128-S130 WeakPolarHBondContact CG2-OG 3.29Å; I128-S130 PolarHBondContact O-N 3.23Å; S130-W132 PolarHBondContact O-N 2.84Å; S130-V133 WeakPolarHBondContact CA-O 3.15Å; S130-H135 WeakPolarHBondContact CB-CE1 3.01Å |
| 131 | S | 78.7 | Confident | 83.3 | Confident | 84 Ų | 84 | 51.9 Ų | 51.9 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -69.9 | -20.7 | 172.6 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | I128 T129 | I128-S131 VanDerWaalsContact O-CB 3.29Å; I128-S131 WeakPolarHBondContact O-CB 2.97Å; I128-S131 PolarHBondContact O-N 3.44Å; I128-S131 PolarHBondContact O-OG 2.99Å; T129-S131 PolarHBondContact O-N 3.28Å |
| 132 | W | 78.2 | Confident | 83.2 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -41.3 | 179.6 | -57.4 | -9.9 | 0 | 0 | 0 | 111.9 | P95 R96 I99 L123 T127 T129 S130 | P95-W132 HydrophobicContact CB-CH2 3.54Å; P95-W132 HydrophobicContact CB-CZ3 3.36Å; R96-W132 HydrophobicContact CG-CD2 4.24Å; R96-W132 HydrophobicContact CG-CE3 4.08Å; R96-W132 HydrophobicContact CG-CZ3 4.3Å; I99-W132 HydrophobicContact CD1-CD2 4.37Å; I99-W132 HydrophobicContact CD1-CE3 3.28Å; I99-W132 HydrophobicContact CD1-CZ3 3.6Å; I99-W132 HydrophobicContact CG1-CE3 4.41Å; I99-W132 HydrophobicContact CG2-CB 4.46Å; L123-W132 HydrophobicContact CD2-CH2 4.14Å; L123-W132 HydrophobicContact CD2-CZ3 4.21Å; T127-W132 HydrophobicContact CG2-CH2 3.63Å; T127-W132 HydrophobicContact CG2-CZ2 3.57Å; T129-W132 PolarHBondContact O-N 3.45Å; S130-W132 PolarHBondContact O-N 2.84Å |
| 133 | V | 84.2 | Confident | 83.4 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -142.8 | 132.5 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | I99 D103 T129 S130 R137 V138 | I99-V133 HydrophobicContact CG2-CB 3.91Å; I99-V133 HydrophobicContact CG2-CG2 3.28Å; D103-V133 HydrophobicContact CB-CG1 4.36Å; D103-V133 HydrophobicContact CB-CG2 4.35Å; T129-V133 PolarHBondContact O-N 3.25Å; S130-V133 WeakPolarHBondContact CA-O 3.15Å; V133-R137 HydrophobicContact CG1-CB 3.81Å; V133-V138 HydrophobicContact CB-CB 4.4Å; V133-V138 HydrophobicContact CB-CG2 4.39Å; V133-V138 HydrophobicContact CG1-CB 3.92Å; V133-V138 HydrophobicContact CG1-CG2 3.71Å |
| 134 | P | 83.8 | Confident | 83.7 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | trans | -66.1 | 151.1 | -178.5 | 24.4 | -32.9 | 0 | 0 | 0 | 113.5 | N136 R137 V138 | P134-N136 WeakPolarHBondContact CB-OD1 3.48Å; P134-N136 WeakPolarHBondContact CG-OD1 3.2Å; P134-N136 PolarHBondContact O-N 3.49Å; P134-N136 VanDerWaalsContact O-N 3.1Å; P134-R137 HydrophobicContact CG-CG 4.49Å; P134-R137 PolarHBondContact O-N 2.81Å; P134-V138 PolarHBondContact O-N 2.99Å | ||
| 135 | H | 81 | Confident | 84.1 | Confident | 111 Ų | 111 | 52.1 Ų | 52.1 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.8 | -174.3 | -69.7 | -31.2 | 0 | 0 | 0 | 115.6 | S130 R137 V138 | S130-H135 WeakPolarHBondContact CB-CE1 3.01Å; H135-R137 PolarHBondContact O-N 3.13Å; H135-V138 WeakPolarHBondContact CA-O 3.38Å |
| 136 | N | 82.6 | Confident | 84 | Confident | 113 Ų | 113 | 50.1 Ų | 50.1 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.3 | 175.2 | 65.7 | -16.9 | 0 | 0 | 0 | 113.2 | P134 A311 | P134-N136 WeakPolarHBondContact CB-OD1 3.48Å; P134-N136 WeakPolarHBondContact CG-OD1 3.2Å; P134-N136 PolarHBondContact O-N 3.49Å; P134-N136 VanDerWaalsContact O-N 3.1Å; N136-A311 WeakPolarHBondContact O-CB 3.29Å |
| 137 | R | 88.4 | Confident | 83.8 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -45.2 | 177.7 | -65.4 | 177.5 | 68.9 | 179.2 | -3.5 | 112.5 | D103 C104 V133 P134 H135 A311 | D103-R137 VanDerWaalsContact CG-CZ 3.48Å; D103-R137 WeakPolarHBondContact OD1-CB 3.25Å; D103-R137 IonicContact OD1-CZ 2.82Å; D103-R137 IonicContact OD1-NE 2.85Å; D103-R137 PolarHBondContact OD1-NE 3.11Å; D103-R137 IonicContact OD1-NH2 3.73Å; D103-R137 PolarHBondContact OD1-NH2 3.19Å; D103-R137 IonicContact OD2-CZ 3.81Å; D103-R137 IonicContact OD2-NE 3.88Å; D103-R137 IonicContact OD2-NH1 3.82Å; D103-R137 IonicContact OD2-NH2 2.88Å; D103-R137 PolarHBondContact OD2-NH2 3.17Å; C104-R137 PolarHBondContact O-NH2 3.29Å; V133-R137 HydrophobicContact CG1-CB 3.81Å; P134-R137 HydrophobicContact CG-CG 4.49Å; P134-R137 PolarHBondContact O-N 2.81Å; H135-R137 PolarHBondContact O-N 3.13Å; R137-A311 VanDerWaalsContact C-CB 3.43Å; R137-A311 VanDerWaalsContact O-CB 3.3Å; R137-A311 WeakPolarHBondContact O-CB 3.4Å; R137-A311 PolarHBondContact O-N 3.06Å |
| 138 | V | 91.2 | Very high | 83 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.5 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | L102 D103 V133 P134 H135 L308 S309 | L102-V138 HydrophobicContact CB-CG1 4.29Å; L102-V138 HydrophobicContact CB-CG2 3.86Å; L102-V138 HydrophobicContact CD1-CG1 4.44Å; D103-V138 HydrophobicContact CB-CG2 4.25Å; V133-V138 HydrophobicContact CB-CB 4.4Å; V133-V138 HydrophobicContact CB-CG2 4.39Å; V133-V138 HydrophobicContact CG1-CB 3.92Å; V133-V138 HydrophobicContact CG1-CG2 3.71Å; P134-V138 PolarHBondContact O-N 2.99Å; H135-V138 WeakPolarHBondContact CA-O 3.38Å; V138-L308 HydrophobicContact CG1-CB 4.35Å; V138-S309 CarbonylContact C-O 3.52Å; V138-S309 WeakPolarHBondContact CA-O 3.4Å |
| 139 | I | 91.8 | Very high | 81.7 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 14% | 0.138 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.5 | 178.2 | -65 | 170.6 | 0 | 0 | 0 | 108.8 | L308 S309 A311 K314 Y321 | I139-L308 WeakPolarHBondContact O-CA 3.36Å; I139-S309 PolarHBondContact N-O 3.37Å; I139-S309 PolarHBondContact O-N 2.69Å; I139-A311 HydrophobicContact CD1-CB 4.18Å; I139-A311 HydrophobicContact CG1-CB 4.04Å; I139-K314 HydrophobicContact CD1-CB 4.47Å; I139-Y321 HydrophobicContact CD1-CE2 3.86Å; I139-Y321 HydrophobicContact CG2-CE2 4.2Å |
| 140 | D | 92.3 | Very high | 79.7 | Confident | 53 Ų | 53 | 59 Ų | 59 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 111.8 | 164.9 | -165.4 | -36.8 | 0 | 0 | 0 | 108.9 | T129 G142 T306 L308 | T129-D140 WeakPolarHBondContact CG2-OD2 3.4Å; T129-D140 WeakPolarHBondContact OG1-CB 3.44Å; T129-D140 PolarHBondContact OG1-OD2 2.85Å; D140-G142 PolarHBondContact O-N 3.06Å; D140-G142 WeakPolarHBondContact OD1-CA 3.4Å; D140-G142 PolarHBondContact OD1-N 2.85Å; D140-T306 WeakPolarHBondContact OD1-CG2 3.44Å; D140-L308 HydrophobicContact CB-CD2 4.08Å |
| 141 | N | 94.2 | Very high | 77.4 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 13.1 | -180 | -70.2 | 104.5 | 0 | 0 | 0 | 112.2 | K307 S309 Y321 V324 D325 | N141-K307 HydrophobicContact CB-CB 3.95Å; N141-K307 PolarHBondContact N-O 3.46Å; N141-K307 WeakPolarHBondContact O-CE 3.28Å; N141-K307 PolarHBondContact O-NZ 3.25Å; N141-S309 WeakPolarHBondContact OD1-CB 3.49Å; N141-S309 PolarHBondContact OD1-OG 2.8Å; N141-Y321 WeakPolarHBondContact ND2-CE2 3.35Å; N141-V324 HydrophobicContact CB-CG1 3.9Å; N141-D325 PolarHBondContact ND2-OD1 3.24Å; N141-D325 VanDerWaalsContact ND2-OD1 3.11Å |
| 142 | G | 90.4 | Very high | 75.3 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.4 | -172.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D140 K307 | D140-G142 PolarHBondContact O-N 3.06Å; D140-G142 WeakPolarHBondContact OD1-CA 3.4Å; D140-G142 PolarHBondContact OD1-N 2.85Å; G142-K307 VanDerWaalsContact O-CE 3.23Å; G142-K307 WeakPolarHBondContact O-CE 3.35Å; G142-K307 PolarHBondContact O-N 3.21Å |
| 143 | P | 90.4 | Very high | 73.2 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 141.8 | -172.2 | 29.3 | -35.3 | 0 | 0 | 0 | 113.3 | Q304 A305 K307 | P143-Q304 VanDerWaalsContact CB-CD 3.47Å; P143-Q304 HydrophobicContact CB-CG 3.76Å; P143-A305 CarbonylContact C-O 3.58Å; P143-A305 WeakPolarHBondContact CA-O 3.35Å; P143-K307 WeakPolarHBondContact O-CE 3.4Å |
| 144 | L | 91.1 | Very high | 71 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -72.8 | -31.8 | 170.3 | -174.1 | 68.6 | 0 | 0 | 0 | 111.3 | V68 E120 A305 K307 M327 H328 F329 Y334 | V68-L144 HydrophobicContact CG1-CD1 4.13Å; V68-L144 HydrophobicContact CG1-CD2 3.84Å; V68-L144 HydrophobicContact CG2-CD2 3.95Å; E120-L144 HydrophobicContact CB-CD2 4.1Å; E120-L144 HydrophobicContact CG-CD2 4.04Å; L144-A305 HydrophobicContact CB-CB 4.07Å; L144-A305 HydrophobicContact CD2-CB 4.49Å; L144-A305 PolarHBondContact N-O 2.97Å; L144-K307 HydrophobicContact CB-CD 4.35Å; L144-K307 HydrophobicContact CB-CG 3.97Å; L144-K307 HydrophobicContact CD1-CD 3.85Å; L144-K307 HydrophobicContact CD1-CG 3.95Å; L144-M327 HydrophobicContact CD1-CG 4.24Å; L144-H328 CarbonylContact O-C 3.46Å; L144-H328 VanDerWaalsContact O-CA 3.26Å; L144-H328 WeakPolarHBondContact O-CA 3.42Å; L144-H328 PolarHBondContact O-ND1 3.01Å; L144-F329 HydrophobicContact CD1-CD2 3.93Å; L144-F329 HydrophobicContact CD1-CE2 3.81Å; L144-F329 HydrophobicContact CG-CD2 3.93Å; L144-F329 HydrophobicContact CG-CE2 4.21Å; L144-F329 PolarHBondContact O-N 2.84Å; L144-Y334 HydrophobicContact CD2-CE2 4.3Å |
| 145 | G | 84.7 | Confident | 68.6 | Low | 6 Ų | 6 | 67.9 Ų | 67.9 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -158.7 | 174.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F329 | G145-F329 WeakPolarHBondContact CA-O 3.45Š|
| 146 | P | 71.8 | Confident | 66.5 | Low | 49 Ų | 49 | 68.9 Ų | 68.9 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | trans | -61.3 | 160 | 171.8 | 20.6 | -26.3 | 0 | 0 | 0 | 112.3 | F329 Q331 | P146-F329 WeakPolarHBondContact CD-O 3.39Å; P146-Q331 HydrophobicContact CB-CB 4.48Å; P146-Q331 VanDerWaalsContact CG-CA 3.45Å; P146-Q331 HydrophobicContact CG-CB 3.51Å; P146-Q331 HydrophobicContact CG-CG 4.46Å | ||
| 147 | T | 69 | Low | 64.3 | Low | 67 Ų | 67 | 67.8 Ų | 67.8 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | trans | -69.6 | 130.6 | -176.5 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | L125 Q303 Q304 | L125-T147 HydrophobicContact CD1-CG2 4.43Å; L125-T147 HydrophobicContact CD2-CG2 3.58Å; T147-Q303 WeakPolarHBondContact CA-O 3.39Å; T147-Q304 HydrophobicContact CG2-CB 4.29Å; T147-Q304 HydrophobicContact CG2-CG 4.35Å | ||
| 148 | N | 61.1 | Low | 62 | Low | 44 Ų | 44 | 69.3 Ų | 69.3 | 24% | 0.235 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147.2 | -177.1 | -138.9 | -4.5 | 0 | 0 | 0 | 110.9 | W122 Q303 Q331 | W122-N148 HydrophobicContact CH2-CB 4.12Å; W122-N148 HydrophobicContact CZ3-CB 4.12Å; N148-Q303 PolarHBondContact N-O 3.05Å; N148-Q303 PolarHBondContact O-N 3.04Å; N148-Q331 PolarHBondContact ND2-NE2 3.46Å; N148-Q331 PolarHBondContact OD1-NE2 3.49Å; N148-Q331 VanDerWaalsContact OD1-NE2 3.08Å |
| 149 | R | 51.5 | Low | 59.6 | Low | 182 Ų | 182 | 73.5 Ų | 73.5 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.1 | 172 | -74.7 | -175.5 | -176.5 | -176.1 | 5.1 | 107.9 | A151 S302 | R149-A151 PolarHBondContact O-N 3.13Å; R149-S302 WeakPolarHBondContact CG-OG 3.47Å; R149-S302 PolarHBondContact NE-OG 3.37Å |
| 150 | W | 37.1 | Very low | 57.1 | Low | 133 Ų | 133 | 75.9 Ų | 75.9 | 50% | 0.504 | 39% | 0.394 | S | S | . | . | trans | -55.8 | 124.5 | -179.2 | -102.8 | 39.6 | 0 | 0 | 0 | 111.7 | F300 | W150-F300 WeakPolarHBondContact O-CG 3.08Š| ||
| 151 | A | 33.1 | Very low | 54.4 | Low | 91 Ų | 91 | 79 Ų | 79 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | trans | -114.3 | 131.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | R149 | R149-A151 PolarHBondContact O-N 3.13Š| ||
| 152 | I | 33.9 | Very low | 51.9 | Low | 95 Ų | 95 | 81.3 Ų | 81.3 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | trans | -43.2 | 143.4 | -168 | -64.7 | 157.6 | 0 | 0 | 0 | 112.9 | F158 | I152-F158 HydrophobicContact CG2-CB 4.03Å; I152-F158 HydrophobicContact CG2-CD2 3.99Å; I152-F158 HydrophobicContact CG2-CG 4.3Å | ||
| 153 | S | 33.2 | Very low | 49.5 | Very low | 51 Ų | 51 | 83.4 Ų | 83.4 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -33.2 | 158 | 167.3 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | R155 E157 | S153-R155 PolarHBondContact O-N 2.93Å; S153-E157 WeakPolarHBondContact CB-OE2 3.41Å; S153-E157 PolarHBondContact OG-OE2 3.36Å |
| 154 | S | 37.9 | Very low | 47.2 | Very low | 52 Ų | 52 | 83.5 Ų | 83.5 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | trans | -41.1 | 139 | -176.9 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | E156 E157 F158 | S154-E156 PolarHBondContact O-N 3.31Å; S154-E157 PolarHBondContact O-N 3.08Å; S154-F158 PolarHBondContact O-N 2.79Å | ||
| 155 | R | 35 | Very low | 44.6 | Very low | 194 Ų | 194 | 89.5 Ų | 89.5 | 73% | 0.732 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -43.7 | -32.6 | -178.1 | 174.5 | 175.6 | 166.1 | 149.8 | -3.1 | 113.1 | S153 M159 | S153-R155 PolarHBondContact O-N 2.93Å; R155-M159 HydrophobicContact CG-CG 4.26Å; R155-M159 VanDerWaalsContact O-CB 3.28Å; R155-M159 WeakPolarHBondContact O-CB 3.45Å; R155-M159 WeakPolarHBondContact O-CG 3.26Å; R155-M159 PolarHBondContact O-N 3.45Å |
| 156 | E | 36.9 | Very low | 42.4 | Very low | 132 Ų | 132 | 93.7 Ų | 93.7 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -40 | 176.9 | -73 | 143.6 | -174.5 | 0 | 0 | 113.8 | S154 M159 S160 | S154-E156 PolarHBondContact O-N 3.31Å; E156-M159 PolarHBondContact O-N 3.17Å; E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 3.21Å |
| 157 | E | 34.6 | Very low | 40.8 | Very low | 90 Ų | 90 | 98.9 Ų | 98.9 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.7 | -39 | -179.1 | -157.8 | 172 | -151.7 | 0 | 0 | 111.2 | S153 S154 S160 Q161 | S153-E157 WeakPolarHBondContact CB-OE2 3.41Å; S153-E157 PolarHBondContact OG-OE2 3.36Å; S154-E157 PolarHBondContact O-N 3.08Å; E157-S160 PolarHBondContact O-N 2.7Å; E157-Q161 PolarHBondContact O-N 2.85Å; E157-Q161 VanDerWaalsContact O-N 3.14Å |
| 158 | F | 40.2 | Very low | 39.2 | Very low | 98 Ų | 98 | 101 Ų | 101 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 170.8 | -178.9 | -102.7 | 0 | 0 | 0 | 111.7 | I152 S154 S160 Q161 V162 | I152-F158 HydrophobicContact CG2-CB 4.03Å; I152-F158 HydrophobicContact CG2-CD2 3.99Å; I152-F158 HydrophobicContact CG2-CG 4.3Å; S154-F158 PolarHBondContact O-N 2.79Å; F158-S160 VanDerWaalsContact C-N 3.31Å; F158-S160 PolarHBondContact O-N 3.44Å; F158-Q161 PolarHBondContact O-N 3.4Å; F158-V162 HydrophobicContact CD1-CG2 4.2Å; F158-V162 HydrophobicContact CE1-CG2 3.81Å; F158-V162 HydrophobicContact CE2-CG2 4.23Å; F158-V162 HydrophobicContact CZ-CG2 3.82Å; F158-V162 VanDerWaalsContact O-CG2 3.31Å; F158-V162 WeakPolarHBondContact O-CG2 3.48Å; F158-V162 PolarHBondContact O-N 2.99Å |
| 159 | M | 41 | Very low | 37.9 | Very low | 95 Ų | 95 | 106.8 Ų | 106.8 | 47% | 0.468 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.3 | -29.2 | 179.4 | -68.1 | -70.5 | -79.2 | 0 | 0 | 112.6 | R155 E156 S163 | R155-M159 HydrophobicContact CG-CG 4.26Å; R155-M159 VanDerWaalsContact O-CB 3.28Å; R155-M159 WeakPolarHBondContact O-CB 3.45Å; R155-M159 WeakPolarHBondContact O-CG 3.26Å; R155-M159 PolarHBondContact O-N 3.45Å; E156-M159 PolarHBondContact O-N 3.17Å; M159-S163 WeakPolarHBondContact O-CB 3.32Å; M159-S163 PolarHBondContact O-N 3.45Å; M159-S163 PolarHBondContact O-OG 3.32Å |
| 160 | S | 38.9 | Very low | 37 | Very low | 77 Ų | 77 | 103.1 Ų | 103.1 | 54% | 0.538 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -48.7 | 171.2 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | E156 E157 F158 V162 S163 A164 | E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 3.21Å; E157-S160 PolarHBondContact O-N 2.7Å; F158-S160 VanDerWaalsContact C-N 3.31Å; F158-S160 PolarHBondContact O-N 3.44Å; S160-V162 PolarHBondContact O-N 2.99Å; S160-S163 PolarHBondContact O-N 2.93Å; S160-A164 PolarHBondContact O-N 2.89Å |
| 161 | Q | 37 | Very low | 36.8 | Very low | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.3 | -39.8 | 177.3 | -71.6 | -176.2 | -1.7 | 0 | 0 | 112.5 | E157 F158 A164 L165 | E157-Q161 PolarHBondContact O-N 2.85Å; E157-Q161 VanDerWaalsContact O-N 3.14Å; F158-Q161 PolarHBondContact O-N 3.4Å; Q161-A164 PolarHBondContact O-N 2.67Å; Q161-L165 PolarHBondContact O-N 3.21Å; Q161-L165 VanDerWaalsContact O-N 3.12Å |
| 162 | V | 40.4 | Very low | 36.5 | Very low | 58 Ų | 58 | 105.8 Ų | 105.8 | 35% | 0.352 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.2 | -38.9 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111.3 | F158 S160 L165 T166 | F158-V162 HydrophobicContact CD1-CG2 4.2Å; F158-V162 HydrophobicContact CE1-CG2 3.81Å; F158-V162 HydrophobicContact CE2-CG2 4.23Å; F158-V162 HydrophobicContact CZ-CG2 3.82Å; F158-V162 VanDerWaalsContact O-CG2 3.31Å; F158-V162 WeakPolarHBondContact O-CG2 3.48Å; F158-V162 PolarHBondContact O-N 2.99Å; S160-V162 PolarHBondContact O-N 2.99Å; V162-L165 PolarHBondContact O-N 2.84Å; V162-T166 PolarHBondContact O-N 2.86Å; V162-T166 VanDerWaalsContact O-N 3.14Å; V162-T166 PolarHBondContact O-OG1 3.32Å |
| 163 | S | 41.4 | Very low | 36.2 | Very low | 64 Ų | 64 | 112.2 Ų | 112.2 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.7 | -43 | 177.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | M159 S160 L165 T166 E167 | M159-S163 WeakPolarHBondContact O-CB 3.32Å; M159-S163 PolarHBondContact O-N 3.45Å; M159-S163 PolarHBondContact O-OG 3.32Å; S160-S163 PolarHBondContact O-N 2.93Å; S163-L165 VanDerWaalsContact C-N 3.26Å; S163-L165 PolarHBondContact O-N 2.84Å; S163-T166 WeakPolarHBondContact CA-OG1 3.36Å; S163-T166 PolarHBondContact O-N 3.16Å; S163-T166 PolarHBondContact O-OG1 2.86Å; S163-E167 PolarHBondContact O-N 2.65Å; S163-E167 VanDerWaalsContact O-N 3.12Å |
| 164 | A | 40.5 | Very low | 36 | Very low | 56 Ų | 56 | 117.2 Ų | 117.2 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.6 | -35.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S160 Q161 | S160-A164 PolarHBondContact O-N 2.89Å; Q161-A164 PolarHBondContact O-N 2.67Å |
| 165 | L | 36.9 | Very low | 35.6 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 65% | 0.654 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.8 | -29.2 | 175 | -82.3 | 160.5 | 0 | 0 | 0 | 113.1 | Q161 V162 S163 T168 | Q161-L165 PolarHBondContact O-N 3.21Å; Q161-L165 VanDerWaalsContact O-N 3.12Å; V162-L165 PolarHBondContact O-N 2.84Å; S163-L165 VanDerWaalsContact C-N 3.26Å; S163-L165 PolarHBondContact O-N 2.84Å; L165-T168 PolarHBondContact O-OG1 3.45Å |
| 166 | T | 40.1 | Very low | 35.2 | Very low | 94 Ų | 94 | 125 Ų | 125 | 58% | 0.577 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.5 | -28.2 | 177.7 | 47.5 | 0 | 0 | 0 | 0 | 114.5 | V162 S163 T168 | V162-T166 PolarHBondContact O-N 2.86Å; V162-T166 VanDerWaalsContact O-N 3.14Å; V162-T166 PolarHBondContact O-OG1 3.32Å; S163-T166 WeakPolarHBondContact CA-OG1 3.36Å; S163-T166 PolarHBondContact O-N 3.16Å; S163-T166 PolarHBondContact O-OG1 2.86Å; T166-T168 VanDerWaalsContact C-N 3.31Å; T166-T168 PolarHBondContact O-N 3.46Å |
| 167 | E | 37.7 | Very low | 34.9 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.7 | -23.5 | 178.7 | -83.4 | -175.5 | 163.2 | 0 | 0 | 113.3 | S163 Q169 S170 | S163-E167 PolarHBondContact O-N 2.65Å; S163-E167 VanDerWaalsContact O-N 3.12Å; E167-Q169 VanDerWaalsContact C-N 3.31Å; E167-Q169 PolarHBondContact O-N 2.99Å; E167-S170 PolarHBondContact O-OG 2.98Å |
| 168 | T | 35.2 | Very low | 35.1 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -2.6 | -178.8 | 48 | 0 | 0 | 0 | 0 | 114.3 | L165 T166 | L165-T168 PolarHBondContact O-OG1 3.45Å; T166-T168 VanDerWaalsContact C-N 3.31Å; T166-T168 PolarHBondContact O-N 3.46Å |
| 169 | Q | 33.7 | Very low | 34.4 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 1.8 | -179.2 | -87.8 | -163.1 | -11.3 | 0 | 0 | 116.2 | E167 | E167-Q169 VanDerWaalsContact C-N 3.31Å; E167-Q169 PolarHBondContact O-N 2.99Å |
| 170 | S | 33.4 | Very low | 33.5 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -5.6 | -176.1 | 56.9 | 0 | 0 | 0 | 0 | 115.7 | E167 | E167-S170 PolarHBondContact O-OG 2.98Š|
| 171 | D | 31.7 | Very low | 32.8 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 21.4 | -172 | -138 | 11.9 | 0 | 0 | 0 | 115.7 | ||
| 172 | C | 26.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -107.9 | 33.4 | 179.7 | -78.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 173 | R | 28.7 | Very low | 31.4 | Very low | 230 Ų | 230 | 145.3 Ų | 145.3 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -129.9 | 94 | 168.7 | -86.2 | -175 | 175.1 | 178.2 | -2.7 | 110.4 | ||||
| 174 | D | 29 | Very low | 31.4 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | 156.1 | 110.3 | 138.6 | -83.4 | -21.4 | 0 | 0 | 0 | 109.2 | ||||
| 175 | K | 29.2 | Very low | 30.5 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | 175.5 | 91.6 | 146.2 | -95.8 | 155.7 | -170 | 179.5 | 0 | 111.5 | ||||
| 176 | H | 27.2 | Very low | 29.8 | Very low | 199 Ų | 199 | 150.1 Ų | 150.1 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -114.5 | 101.3 | 147.9 | -89.1 | -63.5 | 0 | 0 | 0 | 108.3 | ||||
| 177 | R | 28.9 | Very low | 29.1 | Very low | 242 Ų | 242 | 154.5 Ų | 154.5 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | 177.2 | 140.7 | 127.5 | -105.9 | -179.5 | 178.5 | 173.7 | 0.4 | 111.7 | |||||
| 178 | P | 39.5 | Very low | 28.4 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -96 | 150.7 | -176.5 | 37.6 | -30.9 | 0 | 0 | 0 | 111.4 | ||||
| 179 | T | 24.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 152.9 Ų | 152.9 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 177.1 | 125.5 | 135.4 | 25.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 180 | H | 23.3 | Very low | 27.4 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | 57.8 | 130.1 | 149.6 | -80.3 | -83.9 | 0 | 0 | 0 | 123.9 | ||||
| 181 | S | 23.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 155.2 Ų | 155.2 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | 102.3 | 114 | 141.7 | 71.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 182 | Q | 24.2 | Very low | 26.5 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 67.3 | 104.4 | 139.8 | -64.2 | 179 | -17.4 | 0 | 0 | 121.8 | ||||
| 183 | I | 24.2 | Very low | 26.4 | Very low | 155 Ų | 155 | 155.2 Ų | 155.2 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | 43.5 | 145.1 | 118.5 | -56.9 | 169.4 | 0 | 0 | 0 | 118.9 | |||||
| 184 | P | 40.7 | Very low | 26.1 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | cis | -138.5 | -165.4 | -35.8 | 38.8 | -16.5 | 0 | 0 | 0 | 113.5 | ||||
| 185 | L | 22.3 | Very low | 25.9 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 102.3 | 107.1 | 152.3 | -74.7 | 151.8 | 0 | 0 | 0 | 120.6 | ||||
| 186 | S | 22.7 | Very low | 25.7 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | 55.2 | 114.8 | 132 | 68.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 187 | Q | 25.6 | Very low | 25.6 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | 179.2 | 135.3 | 103.5 | -93.4 | 174.4 | 4.4 | 0 | 0 | 110.6 | |||||
| 188 | T | 22.8 | Very low | 25.4 | Very low | 141 Ų | 141 | 140 Ų | 140 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -64.9 | 120 | -175.5 | 42.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 189 | A | 24.3 | Very low | 24.7 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -108.6 | 120.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q191 | A189-Q191 PolarHBondContact O-N 3.3Š| ||
| 190 | V | 23.6 | Very low | 24.7 | Very low | 142 Ų | 142 | 142 Ų | 142 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -68.6 | 105.1 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 191 | Q | 22 | Very low | 24.9 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -79.9 | 113.2 | 168.6 | -88.8 | 176.5 | -44.4 | 0 | 0 | 109.2 | A189 E193 | A189-Q191 PolarHBondContact O-N 3.3Å; Q191-E193 PolarHBondContact O-N 3.45Å | ||
| 192 | S | 24.2 | Very low | 25.1 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -77.1 | 97.9 | 164.1 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | C194 | S192-C194 PolarHBondContact O-N 2.71Š| ||
| 193 | E | 23.8 | Very low | 25.5 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 110.5 | 166.1 | -80.4 | 175.5 | 148.8 | 0 | 0 | 109 | Q191 D195 | Q191-E193 PolarHBondContact O-N 3.45Å; E193-D195 PolarHBondContact O-N 3.07Å | ||
| 194 | C | 23 | Very low | 25.9 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -72.8 | 96.5 | 163.5 | -82.2 | 0 | 0 | 0 | 0 | 108.3 | S192 | S192-C194 PolarHBondContact O-N 2.71Š| ||
| 195 | D | 23.9 | Very low | 25.4 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | -72.5 | 137 | 177.3 | -114.4 | -27.4 | 0 | 0 | 0 | 112.2 | E193 D197 | E193-D195 PolarHBondContact O-N 3.07Å; D195-D197 PolarHBondContact O-N 3.4Å | ||
| 196 | L | 24.7 | Very low | 25.9 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -91.6 | 47.1 | -159.4 | -148 | 97.9 | 0 | 0 | 0 | 112.9 | ||||
| 197 | D | 24.6 | Very low | 26.5 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 12.7 | -165.3 | -100.1 | -10.1 | 0 | 0 | 0 | 117.1 | D195 | D195-D197 PolarHBondContact O-N 3.4Š|
| 198 | I | 26.4 | Very low | 26.9 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 1.4 | -177.7 | -64.6 | 177 | 0 | 0 | 0 | 113.8 | ||
| 199 | C | 25 | Very low | 27.5 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | trans | -99.3 | 8.6 | -176.6 | -94 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 200 | Y | 24.2 | Very low | 28.1 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | trans | -91.7 | 8 | -177 | -88.3 | -77.4 | 0 | 0 | 0 | 117.2 | S202 | Y200-S202 PolarHBondContact O-N 3.09Š| ||
| 201 | A | 27.7 | Very low | 28.7 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 53% | 0.529 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -69.8 | 2.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 202 | S | 28 | Very low | 29.3 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -87.6 | -19.9 | 178.5 | 76.9 | 0 | 0 | 0 | 0 | 114.9 | Y200 | Y200-S202 PolarHBondContact O-N 3.09Å |
| 203 | E | 32.8 | Very low | 30.2 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 62% | 0.617 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -76.9 | -33.5 | 176.8 | -75.8 | -171.6 | 155.1 | 0 | 0 | 112.1 | R205 N206 E207 | E203-R205 VanDerWaalsContact C-N 3.28Å; E203-R205 PolarHBondContact O-N 3.07Å; E203-N206 PolarHBondContact O-N 2.87Å; E203-E207 PolarHBondContact O-N 3.39Å; E203-E207 VanDerWaalsContact O-N 3.1Å |
| 204 | F | 32.9 | Very low | 30.7 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 62% | 0.618 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.6 | -32 | -179.8 | -155.9 | -96.9 | 0 | 0 | 0 | 112.7 | N206 F208 | F204-N206 PolarHBondContact O-N 3.43Å; F204-F208 HydrophobicContact CD1-CB 4.39Å; F204-F208 HydrophobicContact CE1-CB 4.42Å; F204-F208 AromaticContact CE1-CD2 3.82Å; F204-F208 HydrophobicContact CE1-CD2 3.82Å; F204-F208 HydrophobicContact CE1-CG 4.48Å; F204-F208 HydrophobicContact CZ-CD2 4.4Å; F204-F208 WeakPolarHBondContact O-CB 3.45Å; F204-F208 PolarHBondContact O-N 3.14Å |
| 205 | R | 29.5 | Very low | 31.2 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 63% | 0.634 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.3 | -37.1 | 177.5 | -173 | 174.7 | -178.3 | -110.7 | 0.4 | 112.7 | E203 I209 | E203-R205 VanDerWaalsContact C-N 3.28Å; E203-R205 PolarHBondContact O-N 3.07Å; R205-I209 WeakPolarHBondContact O-CG1 3.29Å; R205-I209 PolarHBondContact O-N 3.46Å |
| 206 | N | 32.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 59% | 0.594 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.3 | -34.3 | -179.3 | -71.2 | -23.5 | 0 | 0 | 0 | 111.3 | E203 F204 R210 | E203-N206 PolarHBondContact O-N 2.87Å; F204-N206 PolarHBondContact O-N 3.43Å; N206-R210 WeakPolarHBondContact O-CB 3.27Å; N206-R210 PolarHBondContact O-N 3.33Å; N206-R210 VanDerWaalsContact O-N 3.1Å |
| 207 | E | 35.6 | Very low | 31.8 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.5 | -37 | 177.4 | -143.3 | -174 | -160.9 | 0 | 0 | 112.4 | E203 I209 R210 Y211 | E203-E207 PolarHBondContact O-N 3.39Å; E203-E207 VanDerWaalsContact O-N 3.1Å; E207-I209 VanDerWaalsContact C-N 3.35Å; E207-I209 PolarHBondContact O-N 2.87Å; E207-R210 WeakPolarHBondContact O-CB 3.43Å; E207-R210 PolarHBondContact O-N 3.43Å; E207-R210 VanDerWaalsContact O-N 3.16Å; E207-Y211 WeakPolarHBondContact O-CB 3.46Å; E207-Y211 PolarHBondContact O-N 3.24Å |
| 208 | F | 34.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.9 | -38.3 | 175.8 | -168 | -91.2 | 0 | 0 | 0 | 112.3 | F204 F212 | F204-F208 HydrophobicContact CD1-CB 4.39Å; F204-F208 HydrophobicContact CE1-CB 4.42Å; F204-F208 AromaticContact CE1-CD2 3.82Å; F204-F208 HydrophobicContact CE1-CD2 3.82Å; F204-F208 HydrophobicContact CE1-CG 4.48Å; F204-F208 HydrophobicContact CZ-CD2 4.4Å; F204-F208 WeakPolarHBondContact O-CB 3.45Å; F204-F208 PolarHBondContact O-N 3.14Å; F208-F212 HydrophobicContact CD1-CD2 4.22Å; F208-F212 HydrophobicContact CD2-CD2 4.41Å; F208-F212 HydrophobicContact CD2-CE2 4.27Å; F208-F212 AromaticContact CE1-CD2 3.93Å; F208-F212 HydrophobicContact CE1-CD2 3.93Å; F208-F212 HydrophobicContact CE1-CE2 4.15Å; F208-F212 HydrophobicContact CE2-CD2 4.14Å; F208-F212 AromaticContact CE2-CE2 3.69Å; F208-F212 HydrophobicContact CE2-CE2 3.69Å; F208-F212 HydrophobicContact CG-CD2 4.45Å; F208-F212 AromaticContact CZ-CD2 3.89Å; F208-F212 HydrophobicContact CZ-CD2 3.89Å; F208-F212 AromaticContact CZ-CE2 3.62Å; F208-F212 HydrophobicContact CZ-CE2 3.62Å; F208-F212 WeakPolarHBondContact O-CD2 3.12Å; F208-F212 PolarHBondContact O-N 3.3Å |
| 209 | I | 34.4 | Very low | 32.2 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 44% | 0.436 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.7 | -41.7 | 173.1 | -65.5 | 172.8 | 0 | 0 | 0 | 110.2 | R205 E207 Y211 F212 T213 | R205-I209 WeakPolarHBondContact O-CG1 3.29Å; R205-I209 PolarHBondContact O-N 3.46Å; E207-I209 VanDerWaalsContact C-N 3.35Å; E207-I209 PolarHBondContact O-N 2.87Å; I209-Y211 VanDerWaalsContact C-N 3.34Å; I209-Y211 PolarHBondContact O-N 2.88Å; I209-F212 PolarHBondContact O-N 3.49Å; I209-T213 PolarHBondContact O-N 3.04Å; I209-T213 PolarHBondContact O-OG1 3.24Å |
| 210 | R | 36.7 | Very low | 32.3 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 57% | 0.574 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.1 | -41 | 176.9 | -124.3 | 179.5 | -174.6 | 168.4 | 0.2 | 112.5 | N206 E207 G214 E216 | N206-R210 WeakPolarHBondContact O-CB 3.27Å; N206-R210 PolarHBondContact O-N 3.33Å; N206-R210 VanDerWaalsContact O-N 3.1Å; E207-R210 WeakPolarHBondContact O-CB 3.43Å; E207-R210 PolarHBondContact O-N 3.43Å; E207-R210 VanDerWaalsContact O-N 3.16Å; R210-G214 PolarHBondContact O-N 3.35Å; R210-G214 VanDerWaalsContact O-N 3.12Å; R210-E216 IonicContact CZ-OE1 2.62Å; R210-E216 IonicContact NH2-OE1 3.61Å; R210-E216 PolarHBondContact NH2-OE1 3.16Å |
| 211 | Y | 37 | Very low | 32.4 | Very low | 193 Ų | 193 | 125.5 Ų | 125.5 | 76% | 0.757 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.8 | -36 | -178.2 | -167.8 | -94.4 | 0 | 0 | 0 | 112.2 | E207 I209 | E207-Y211 WeakPolarHBondContact O-CB 3.46Å; E207-Y211 PolarHBondContact O-N 3.24Å; I209-Y211 VanDerWaalsContact C-N 3.34Å; I209-Y211 PolarHBondContact O-N 2.88Å |
| 212 | F | 35.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -93.2 | -26.6 | -176.8 | -84.2 | -76.9 | 0 | 0 | 0 | 115.3 | F208 I209 | F208-F212 HydrophobicContact CD1-CD2 4.22Å; F208-F212 HydrophobicContact CD2-CD2 4.41Å; F208-F212 HydrophobicContact CD2-CE2 4.27Å; F208-F212 AromaticContact CE1-CD2 3.93Å; F208-F212 HydrophobicContact CE1-CD2 3.93Å; F208-F212 HydrophobicContact CE1-CE2 4.15Å; F208-F212 HydrophobicContact CE2-CD2 4.14Å; F208-F212 AromaticContact CE2-CE2 3.69Å; F208-F212 HydrophobicContact CE2-CE2 3.69Å; F208-F212 HydrophobicContact CG-CD2 4.45Å; F208-F212 AromaticContact CZ-CD2 3.89Å; F208-F212 HydrophobicContact CZ-CD2 3.89Å; F208-F212 AromaticContact CZ-CE2 3.62Å; F208-F212 HydrophobicContact CZ-CE2 3.62Å; F208-F212 WeakPolarHBondContact O-CD2 3.12Å; F208-F212 PolarHBondContact O-N 3.3Å; I209-F212 PolarHBondContact O-N 3.49Å |
| 213 | T | 42.6 | Very low | 32.2 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 49% | 0.491 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -100.5 | -11 | 177.8 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | I209 S215 | I209-T213 PolarHBondContact O-N 3.04Å; I209-T213 PolarHBondContact O-OG1 3.24Å; T213-S215 PolarHBondContact O-N 3.37Å; T213-S215 PolarHBondContact O-OG 3.49Å |
| 214 | G | 33.9 | Very low | 31.9 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | trans | 60.8 | 4.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R210 | R210-G214 PolarHBondContact O-N 3.35Å; R210-G214 VanDerWaalsContact O-N 3.12Å | ||
| 215 | S | 32.6 | Very low | 31.6 | Very low | 64 Ų | 64 | 136.1 Ų | 136.1 | 45% | 0.448 | 67% | 0.672 | S | S | . | * | trans | -131.9 | 123.5 | -174.5 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | T213 I217 | T213-S215 PolarHBondContact O-N 3.37Å; T213-S215 PolarHBondContact O-OG 3.49Å; S215-I217 PolarHBondContact O-N 3.37Å; S215-I217 VanDerWaalsContact O-N 3.11Å | ||
| 216 | E | 34.9 | Very low | 31.6 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | trans | -64.2 | 103.9 | 165.1 | -71.4 | -171.7 | 140.5 | 0 | 0 | 109.1 | R210 L218 | R210-E216 IonicContact CZ-OE1 2.62Å; R210-E216 IonicContact NH2-OE1 3.61Å; R210-E216 PolarHBondContact NH2-OE1 3.16Å; E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 3.19Å | ||
| 217 | I | 27.8 | Very low | 31.4 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 55% | 0.554 | 68% | 0.68 | S | S | * | * | trans | -75.4 | 90.7 | 175.6 | -59.2 | 175.2 | 0 | 0 | 0 | 107.8 | S215 S219 F222 | S215-I217 PolarHBondContact O-N 3.37Å; S215-I217 VanDerWaalsContact O-N 3.11Å; I217-S219 PolarHBondContact O-N 3.04Å; I217-F222 HydrophobicContact CD1-CZ 4.09Å; I217-F222 HydrophobicContact CG2-CE2 3.97Å; I217-F222 HydrophobicContact CG2-CZ 4.35Å | ||
| 218 | L | 30.3 | Very low | 31 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | trans | -60.1 | 115.3 | 154.8 | -91.1 | 156.3 | 0 | 0 | 0 | 107.1 | E216 K220 | E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 3.19Å; L218-K220 PolarHBondContact O-N 3.23Å | ||
| 219 | S | 28.2 | Very low | 30.6 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -63.2 | 92 | -177.4 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | I217 | I217-S219 PolarHBondContact O-N 3.04Š|
| 220 | K | 27.1 | Very low | 30.5 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 168 | 132.4 | 141.6 | -93.3 | 165.2 | -177.6 | -175.4 | 0 | 108 | L218 | L218-K220 PolarHBondContact O-N 3.23Š|
| 221 | E | 27.4 | Very low | 30.1 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | trans | 101.3 | 59.4 | 179.8 | -58.6 | 179.5 | 179.8 | 0 | 0 | 115.3 | A223 | E221-A223 PolarHBondContact O-N 3.28Š| ||
| 222 | F | 24 | Very low | 29.6 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | trans | -76.7 | 90.3 | 155.7 | -89.3 | -91.1 | 0 | 0 | 0 | 109.6 | I217 | I217-F222 HydrophobicContact CD1-CZ 4.09Å; I217-F222 HydrophobicContact CG2-CE2 3.97Å; I217-F222 HydrophobicContact CG2-CZ 4.35Å | ||
| 223 | A | 26.4 | Very low | 29.4 | Very low | 79 Ų | 79 | 130.5 Ų | 130.5 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | trans | -159.5 | 128.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E221 | E221-A223 PolarHBondContact O-N 3.28Š| ||
| 224 | H | 26.7 | Very low | 28.8 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | 82.9 | 86.8 | 169.9 | -61.3 | 69.8 | 0 | 0 | 0 | 118.4 | ||||
| 225 | F | 26 | Very low | 28.5 | Very low | 221 Ų | 221 | 133 Ų | 133 | 97% | 0.969 | 72% | 0.719 | S | S | * | * | trans | -145.1 | 101.8 | 138.6 | -84.1 | -72.5 | 0 | 0 | 0 | 110.5 | ||||
| 226 | P | 30.8 | Very low | 28.4 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | trans | -89.7 | 153.4 | 168.4 | 33.2 | -26.1 | 0 | 0 | 0 | 111.3 | ||||
| 227 | N | 28 | Very low | 28.2 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 93.2 | 82.6 | 168.5 | -50.8 | -25.9 | 0 | 0 | 0 | 117.5 | ||||
| 228 | L | 25.8 | Very low | 28.2 | Very low | 180 Ų | 180 | 134 Ų | 134 | 94% | 0.942 | 73% | 0.728 | S | S | * | * | trans | -129 | 119.7 | 149.1 | -100.4 | 120.3 | 0 | 0 | 0 | 109.3 | ||||
| 229 | H | 27.3 | Very low | 27.9 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -75.7 | 151.8 | -173.3 | -78.7 | -92.7 | 0 | 0 | 0 | 113.2 | S231 | H229-S231 PolarHBondContact O-N 3.39Š| ||
| 230 | S | 30.9 | Very low | 27.7 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -95.1 | 40.1 | -154.5 | 56.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 231 | S | 28.2 | Very low | 27.5 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | -120.8 | 71.3 | 179.1 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | H229 | H229-S231 PolarHBondContact O-N 3.39Š| ||
| 232 | S | 28 | Very low | 27.5 | Very low | 72 Ų | 72 | 135 Ų | 135 | 50% | 0.503 | 72% | 0.719 | S | S | . | * | trans | -145.4 | 133.2 | 162.5 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | V234 M235 | S232-V234 PolarHBondContact O-N 3.49Å; S232-M235 PolarHBondContact O-N 2.86Å | ||
| 233 | P | 29.6 | Very low | 27.6 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -64.1 | -9.8 | -174.2 | 20.2 | -27.4 | 0 | 0 | 0 | 114.4 | M235 S236 | P233-M235 PolarHBondContact O-N 3.07Å; P233-S236 WeakPolarHBondContact O-CB 3.33Å; P233-S236 PolarHBondContact O-N 2.91Å; P233-S236 PolarHBondContact O-OG 3.42Å |
| 234 | V | 30.8 | Very low | 27.6 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 62% | 0.618 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -62.8 | -28.3 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | S232 S236 | S232-V234 PolarHBondContact O-N 3.49Å; V234-S236 VanDerWaalsContact C-N 3.33Å; V234-S236 PolarHBondContact O-N 3.29Å |
| 235 | M | 28 | Very low | 27.5 | Very low | 102 Ų | 102 | 135 Ų | 135 | 50% | 0.502 | 73% | 0.731 | S | S | . | * | G | 310 helix | trans | -80.6 | -9.2 | 177.9 | -101.6 | -55.7 | -163.4 | 0 | 0 | 114.6 | S232 P233 I237 I238 N239 | S232-M235 PolarHBondContact O-N 2.86Å; P233-M235 PolarHBondContact O-N 3.07Å; M235-I237 PolarHBondContact O-N 3.35Å; M235-I238 PolarHBondContact O-N 2.98Å; M235-I238 HydrophobicContact SD-CB 3.73Å; M235-I238 HydrophobicContact SD-CD1 4.11Å; M235-I238 HydrophobicContact SD-CG1 4.32Å; M235-I238 HydrophobicContact SD-CG2 4.22Å; M235-N239 PolarHBondContact O-N 3.18Å |
| 236 | S | 29.8 | Very low | 27.4 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 57% | 0.573 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -66.1 | -21.4 | 174 | 68.3 | 0 | 0 | 0 | 0 | 113 | P233 V234 | P233-S236 WeakPolarHBondContact O-CB 3.33Å; P233-S236 PolarHBondContact O-N 2.91Å; P233-S236 PolarHBondContact O-OG 3.42Å; V234-S236 VanDerWaalsContact C-N 3.33Å; V234-S236 PolarHBondContact O-N 3.29Å |
| 237 | I | 30.5 | Very low | 27.1 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -83.5 | -18.2 | 179.8 | -66.2 | 177 | 0 | 0 | 0 | 112.4 | M235 | M235-I237 PolarHBondContact O-N 3.35Š|
| 238 | I | 27.8 | Very low | 26.9 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 57% | 0.574 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -18.9 | -178.5 | -61.5 | 179.2 | 0 | 0 | 0 | 112.5 | M235 W240 | M235-I238 PolarHBondContact O-N 2.98Å; M235-I238 HydrophobicContact SD-CB 3.73Å; M235-I238 HydrophobicContact SD-CD1 4.11Å; M235-I238 HydrophobicContact SD-CG1 4.32Å; M235-I238 HydrophobicContact SD-CG2 4.22Å; I238-W240 PolarHBondContact O-N 3.25Å; I238-W240 VanDerWaalsContact O-N 3.17Å |
| 239 | N | 24.6 | Very low | 27.1 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | trans | -83 | 19.1 | 179.2 | -84.7 | -16.2 | 0 | 0 | 0 | 115.5 | M235 Y241 | M235-N239 PolarHBondContact O-N 3.18Å; N239-Y241 PolarHBondContact O-N 3.38Å | ||
| 240 | W | 23.5 | Very low | 27 | Very low | 229 Ų | 229 | 128.2 Ų | 128.2 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | -85.7 | 39.3 | 168.6 | -112.7 | 76.2 | 0 | 0 | 0 | 113.7 | I238 | I238-W240 PolarHBondContact O-N 3.25Å; I238-W240 VanDerWaalsContact O-N 3.17Å | ||
| 241 | Y | 24.5 | Very low | 26.6 | Very low | 192 Ų | 192 | 128.4 Ų | 128.4 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -128.6 | 106.2 | 161.9 | -84.4 | -83 | 0 | 0 | 0 | 108.6 | N239 H243 | N239-Y241 PolarHBondContact O-N 3.38Å; Y241-H243 PolarHBondContact O-N 2.68Å |
| 242 | P | 26.7 | Very low | 26.5 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 110.5 | 178.4 | 16.8 | -13.6 | 0 | 0 | 0 | 108.8 | G244 | P242-G244 PolarHBondContact O-N 3.09Š| ||
| 243 | H | 24.9 | Very low | 26.2 | Very low | 182 Ų | 182 | 129.2 Ų | 129.2 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -70.6 | 121.6 | 170.5 | -84.4 | -86.7 | 0 | 0 | 0 | 109.6 | Y241 | Y241-H243 PolarHBondContact O-N 2.68Š| ||
| 244 | G | 27.3 | Very low | 25.9 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 86.3 | 75.1 | 156 | 0 | 0 | 0 | 0 | 0 | 115.8 | P242 | P242-G244 PolarHBondContact O-N 3.09Š| ||
| 245 | L | 24 | Very low | 25.5 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 93% | 0.927 | 75% | 0.754 | S | S | * | * | trans | -142.1 | 123.1 | 140 | -99.8 | 129.1 | 0 | 0 | 0 | 108 | ||||
| 246 | G | 24.8 | Very low | 25.3 | Very low | 55 Ų | 55 | 140.3 Ų | 140.3 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | trans | -56.6 | 137.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F248 | G246-F248 PolarHBondContact O-N 2.69Š| ||
| 247 | S | 24.9 | Very low | 25 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 28.5 | 79.8 | 138.5 | 59.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 248 | F | 23.3 | Very low | 24.7 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -131.4 | 135.2 | 148.6 | -79.3 | -79 | 0 | 0 | 0 | 109.1 | G246 | G246-F248 PolarHBondContact O-N 2.69Š| ||
| 249 | P | 30.7 | Very low | 24.5 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73 | 133.3 | -160 | 28.9 | -32.3 | 0 | 0 | 0 | 111.2 | ||
| 250 | L | 23.6 | Very low | 24.5 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 135.2 | 170.5 | -89.4 | 113.7 | 0 | 0 | 0 | 110.3 | S252 | L250-S252 PolarHBondContact O-N 3.48Š|
| 251 | P | 24.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 116.7 | 179.3 | 2.9 | 10.8 | 0 | 0 | 0 | 109.5 | G253 | P251-G253 PolarHBondContact O-N 3.22Å; P251-G253 VanDerWaalsContact O-N 3.11Å |
| 252 | S | 24.8 | Very low | 24.7 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -58.1 | 103.9 | 161.9 | 22.8 | 0 | 0 | 0 | 0 | 109.7 | L250 | L250-S252 PolarHBondContact O-N 3.48Š| ||
| 253 | G | 22.9 | Very low | 24.8 | Very low | 61 Ų | 61 | 144.7 Ų | 144.7 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | -178.3 | 82.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P251 | P251-G253 PolarHBondContact O-N 3.22Å; P251-G253 VanDerWaalsContact O-N 3.11Å | ||
| 254 | L | 22.1 | Very low | 25 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -174.5 | 79.3 | 134.3 | -97.5 | 148.6 | 0 | 0 | 0 | 108.7 | F256 | L254-F256 PolarHBondContact O-N 3.41Å; L254-F256 VanDerWaalsContact O-N 3.15Å | ||
| 255 | H | 22.3 | Very low | 25.5 | Very low | 178 Ų | 178 | 143 Ų | 143 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -56.5 | 108.5 | 161.2 | -104.3 | -99.8 | 0 | 0 | 0 | 108.8 | L257 | H255-L257 VanDerWaalsContact C-N 3.34Å; H255-L257 PolarHBondContact O-N 3.46Å | ||
| 256 | F | 24.1 | Very low | 26.1 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | trans | -64.4 | 94.9 | 164 | -93.5 | -94.6 | 0 | 0 | 0 | 109 | L254 G258 | L254-F256 PolarHBondContact O-N 3.41Å; L254-F256 VanDerWaalsContact O-N 3.15Å; F256-G258 PolarHBondContact O-N 3.25Å | ||
| 257 | L | 23.4 | Very low | 26.6 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -75.9 | 106.9 | 165.5 | -81 | 161.2 | 0 | 0 | 0 | 108.4 | H255 | H255-L257 VanDerWaalsContact C-N 3.34Å; H255-L257 PolarHBondContact O-N 3.46Å | ||
| 258 | G | 23.9 | Very low | 27.2 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -160.8 | 96 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F256 | F256-G258 PolarHBondContact O-N 3.25Š| ||
| 259 | K | 23.8 | Very low | 27.8 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | -13.6 | 116.8 | 177.8 | -74.2 | 174 | 174 | 176 | 0 | 116.8 | N261 | K259-N261 VanDerWaalsContact C-N 3.35Å; K259-N261 PolarHBondContact O-N 2.96Å | ||
| 260 | K | 24.3 | Very low | 28.2 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | trans | -58.6 | 87.7 | 161.2 | -72.9 | 180 | 175.4 | 178.2 | 0 | 110.6 | ||||
| 261 | N | 25.8 | Very low | 28.9 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | -87.4 | 106 | 156.8 | -84 | -4.3 | 0 | 0 | 0 | 107.7 | K259 L263 | K259-N261 VanDerWaalsContact C-N 3.35Å; K259-N261 PolarHBondContact O-N 2.96Å; N261-L263 PolarHBondContact O-N 3.47Å | ||
| 262 | H | 26.7 | Very low | 29.6 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.806 | 71% | 0.713 | S | S | * | * | trans | -55.3 | 94 | 176.3 | -81.5 | -92.5 | 0 | 0 | 0 | 111.1 | N264 | H262-N264 PolarHBondContact O-N 3.32Š| ||
| 263 | L | 28.1 | Very low | 30.3 | Very low | 151 Ų | 151 | 129 Ų | 129 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -79.7 | 111.3 | 161.8 | -97.1 | 142.9 | 0 | 0 | 0 | 107.9 | N261 S265 | N261-L263 PolarHBondContact O-N 3.47Å; L263-S265 PolarHBondContact O-N 3.4Å; L263-S265 VanDerWaalsContact O-N 3.07Å | ||
| 264 | N | 30.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 68% | 0.684 | 70% | 0.696 | S | S | * | * | trans | -57.5 | 108.5 | -176.8 | -114.7 | -17.5 | 0 | 0 | 0 | 110.7 | H262 T266 V267 | H262-N264 PolarHBondContact O-N 3.32Å; N264-T266 PolarHBondContact O-N 3.33Å; N264-V267 PolarHBondContact O-N 3.07Å | ||
| 265 | S | 36.4 | Very low | 31.6 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.2 | -20.5 | 178 | 175.3 | 0 | 0 | 0 | 0 | 114.5 | L263 V267 K269 | L263-S265 PolarHBondContact O-N 3.4Å; L263-S265 VanDerWaalsContact O-N 3.07Å; S265-V267 PolarHBondContact O-N 3.26Å; S265-K269 WeakPolarHBondContact O-CB 3.48Å; S265-K269 PolarHBondContact O-N 3.03Å; S265-K269 VanDerWaalsContact O-N 3.12Å |
| 266 | T | 36.3 | Very low | 32.2 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 52% | 0.521 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -64 | -35.6 | -179.6 | 29.1 | 0 | 0 | 0 | 0 | 114.3 | N264 K269 T270 | N264-T266 PolarHBondContact O-N 3.33Å; T266-K269 PolarHBondContact O-N 3.37Å; T266-T270 WeakPolarHBondContact O-CB 3.48Å; T266-T270 PolarHBondContact O-N 3.33Å; T266-T270 PolarHBondContact O-OG1 2.92Å |
| 267 | V | 37.3 | Very low | 32.7 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.9 | -44.7 | -176.9 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | N264 S265 K269 T270 A271 | N264-V267 PolarHBondContact O-N 3.07Å; S265-V267 PolarHBondContact O-N 3.26Å; V267-K269 VanDerWaalsContact C-N 3.35Å; V267-T270 PolarHBondContact O-N 3.19Å; V267-A271 PolarHBondContact O-N 2.92Å; V267-A271 VanDerWaalsContact O-N 3.1Å |
| 268 | I | 36 | Very low | 33.1 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 62% | 0.621 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.6 | -39.6 | 177.3 | -61.6 | 176.1 | 0 | 0 | 0 | 110.4 | A271 L272 | I268-A271 PolarHBondContact O-N 3.4Å; I268-L272 HydrophobicContact CG2-CD1 4.01Å; I268-L272 WeakPolarHBondContact O-CG 3.36Å; I268-L272 PolarHBondContact O-N 3.41Å; I268-L272 VanDerWaalsContact O-N 3.1Å |
| 269 | K | 36 | Very low | 33.6 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 59% | 0.591 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.2 | -38.6 | 178.6 | -151.7 | 176.3 | -174 | -174.8 | 0 | 112.4 | S265 T266 V267 L272 D273 | S265-K269 WeakPolarHBondContact O-CB 3.48Å; S265-K269 PolarHBondContact O-N 3.03Å; S265-K269 VanDerWaalsContact O-N 3.12Å; T266-K269 PolarHBondContact O-N 3.37Å; V267-K269 VanDerWaalsContact C-N 3.35Å; K269-L272 PolarHBondContact O-N 3.1Å; K269-D273 WeakPolarHBondContact O-CB 3.36Å; K269-D273 PolarHBondContact O-N 3.33Å |
| 270 | T | 40.3 | Very low | 33.9 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 47% | 0.466 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.4 | -35.5 | 178.3 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | T266 V267 K274 | T266-T270 WeakPolarHBondContact O-CB 3.48Å; T266-T270 PolarHBondContact O-N 3.33Å; T266-T270 PolarHBondContact O-OG1 2.92Å; V267-T270 PolarHBondContact O-N 3.19Å; T270-K274 PolarHBondContact O-N 2.76Å; T270-K274 VanDerWaalsContact O-N 3.12Å |
| 271 | A | 38.3 | Very low | 34.3 | Very low | 54 Ų | 54 | 127.2 Ų | 127.2 | 45% | 0.446 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.3 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V267 I268 I275 | V267-A271 PolarHBondContact O-N 2.92Å; V267-A271 VanDerWaalsContact O-N 3.1Å; I268-A271 PolarHBondContact O-N 3.4Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 2.96Å |
| 272 | L | 37.8 | Very low | 34.5 | Very low | 106 Ų | 106 | 131 Ų | 131 | 56% | 0.555 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.5 | -38.6 | 177.4 | -71.4 | 169.2 | 0 | 0 | 0 | 112.9 | I268 K269 K274 I275 Y276 | I268-L272 HydrophobicContact CG2-CD1 4.01Å; I268-L272 WeakPolarHBondContact O-CG 3.36Å; I268-L272 PolarHBondContact O-N 3.41Å; I268-L272 VanDerWaalsContact O-N 3.1Å; K269-L272 PolarHBondContact O-N 3.1Å; L272-K274 PolarHBondContact O-N 2.75Å; L272-I275 PolarHBondContact O-N 3.31Å; L272-Y276 PolarHBondContact O-N 2.95Å |
| 273 | D | 39.1 | Very low | 34.6 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.7 | -33.4 | 177.1 | -84.3 | -14.7 | 0 | 0 | 0 | 112.5 | K269 Y276 H277 | K269-D273 WeakPolarHBondContact O-CB 3.36Å; K269-D273 PolarHBondContact O-N 3.33Å; D273-Y276 PolarHBondContact O-N 3.45Å; D273-H277 PolarHBondContact O-N 3.1Å |
| 274 | K | 36.9 | Very low | 34.8 | Very low | 157 Ų | 157 | 124 Ų | 124 | 68% | 0.683 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68 | -37.5 | 174.1 | -82 | -175.7 | 176.8 | 179.7 | 0 | 112.6 | T270 L272 Y276 H277 | T270-K274 PolarHBondContact O-N 2.76Å; T270-K274 VanDerWaalsContact O-N 3.12Å; L272-K274 PolarHBondContact O-N 2.75Å; K274-Y276 VanDerWaalsContact C-N 3.32Å; K274-H277 PolarHBondContact O-N 2.88Å |
| 275 | I | 37.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 65% | 0.646 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.8 | -39.4 | 174.4 | -66.5 | 167 | 0 | 0 | 0 | 110.1 | A271 L272 | A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 2.96Å; L272-I275 PolarHBondContact O-N 3.31Å |
| 276 | Y | 34.4 | Very low | 34.2 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.1 | -36.2 | 179.7 | -143.8 | -95.4 | 0 | 0 | 0 | 112.8 | L272 D273 K274 S279 | L272-Y276 PolarHBondContact O-N 2.95Å; D273-Y276 PolarHBondContact O-N 3.45Å; K274-Y276 VanDerWaalsContact C-N 3.32Å; Y276-S279 PolarHBondContact O-N 3.4Å; Y276-S279 PolarHBondContact O-OG 2.86Å |
| 277 | H | 33.3 | Very low | 33.8 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -74.1 | -23.6 | -177.7 | -98.4 | -62.7 | 0 | 0 | 0 | 115.5 | D273 K274 S279 | D273-H277 PolarHBondContact O-N 3.1Å; K274-H277 PolarHBondContact O-N 2.88Å; H277-S279 VanDerWaalsContact C-N 3.26Å; H277-S279 PolarHBondContact O-N 3.4Å |
| 278 | C | 33.5 | Very low | 33.3 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -69.9 | -19.3 | 175.9 | -91.5 | 0 | 0 | 0 | 0 | 113.8 | R280 | C278-R280 PolarHBondContact O-N 2.7Š|
| 279 | S | 33.3 | Very low | 32.9 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -83 | -7.3 | -175 | 70 | 0 | 0 | 0 | 0 | 115.1 | Y276 H277 | Y276-S279 PolarHBondContact O-N 3.4Å; Y276-S279 PolarHBondContact O-OG 2.86Å; H277-S279 VanDerWaalsContact C-N 3.26Å; H277-S279 PolarHBondContact O-N 3.4Å |
| 280 | R | 30 | Very low | 32.4 | Very low | 207 Ų | 207 | 137.9 Ų | 137.9 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -99.4 | 6 | -169.9 | -109.9 | -173 | 178.6 | -172.9 | 0.2 | 116.7 | C278 | C278-R280 PolarHBondContact O-N 2.7Š|
| 281 | Q | 33.4 | Very low | 31.8 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -94.2 | 5.3 | -178.9 | -136.4 | 173.2 | -2.2 | 0 | 0 | 115.1 | ||
| 282 | Y | 30 | Very low | 31.4 | Very low | 225 Ų | 225 | 144.7 Ų | 144.7 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -127.3 | 82.5 | 172.6 | -75.1 | -85.6 | 0 | 0 | 0 | 110.2 | ||||
| 283 | S | 28.6 | Very low | 31 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -137.5 | 80.3 | 171.9 | 66.7 | 0 | 0 | 0 | 0 | 111 | T285 | S283-T285 PolarHBondContact O-N 3.33Š| ||
| 284 | G | 31.9 | Very low | 30.4 | Very low | 74 Ų | 74 | 154.4 Ų | 154.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 87 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 285 | T | 29.6 | Very low | 30 | Very low | 133 Ų | 133 | 151.7 Ų | 151.7 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | 33 | 90.1 | 151.5 | 44.4 | 0 | 0 | 0 | 0 | 118.4 | S283 | S283-T285 PolarHBondContact O-N 3.33Š| ||
| 286 | L | 25.6 | Very low | 29.5 | Very low | 178 Ų | 178 | 151.4 Ų | 151.4 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -136 | 105.5 | 146.2 | -135.7 | 92.2 | 0 | 0 | 0 | 109.4 | H288 | L286-H288 PolarHBondContact O-N 2.89Š| ||
| 287 | S | 26.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -76.5 | 111.6 | 173.1 | 48.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 288 | H | 26.3 | Very low | 29.2 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | 164 | 67.2 | 140.2 | -96.2 | -72.2 | 0 | 0 | 0 | 111.8 | L286 | L286-H288 PolarHBondContact O-N 2.89Š| ||
| 289 | I | 28.6 | Very low | 29 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -140.2 | 80.9 | 155.7 | -54.8 | -179.8 | 0 | 0 | 0 | 108.3 | ||||
| 290 | Q | 26.1 | Very low | 29.6 | Very low | 188 Ų | 188 | 153.9 Ų | 153.9 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -99 | 106.4 | 155.3 | -84.6 | -175.4 | -23.5 | 0 | 0 | 107 | ||||
| 291 | N | 27.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -166.7 | 113.2 | 136.1 | -99.7 | -25 | 0 | 0 | 0 | 110.4 | ||||
| 292 | S | 28.5 | Very low | 32.4 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -68 | 117.2 | 179 | 44.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 293 | K | 29.1 | Very low | 34.7 | Very low | 208 Ų | 208 | 133.8 Ų | 133.8 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -107.5 | 118.7 | 161.7 | -85.6 | -174.7 | 177.4 | 176.8 | 0 | 110.1 | ||||
| 294 | K | 27 | Very low | 37.3 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 85% | 0.852 | 71% | 0.708 | S | S | * | * | trans | -57.4 | 129.3 | 175.8 | -74.7 | 170.6 | 171.1 | 174.8 | 0 | 111.8 | ||||
| 295 | S | 28 | Very low | 40 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | 23.9 | 95.5 | 146.8 | 62.1 | 0 | 0 | 0 | 0 | 117.9 | F297 | S295-F297 PolarHBondContact O-N 3.09Š| ||
| 296 | S | 27.9 | Very low | 42.9 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 84% | 0.839 | 64% | 0.637 | S | S | * | * | trans | -71.1 | 110.2 | 163.2 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 297 | F | 29.9 | Very low | 46.2 | Very low | 194 Ų | 194 | 113.9 Ų | 113.9 | 85% | 0.851 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 131.5 | 160 | -87.3 | -93.4 | 0 | 0 | 0 | 108.7 | S295 Q299 | S295-F297 PolarHBondContact O-N 3.09Å; F297-Q299 PolarHBondContact O-N 2.89Å |
| 298 | C | 31.1 | Very low | 49.5 | Very low | 103 Ų | 103 | 108.8 Ų | 108.8 | 70% | 0.696 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.4 | 177.8 | -62 | 0 | 0 | 0 | 0 | 110.9 | F300 | C298-F300 HydrophobicContact CB-CE2 4.43Å; C298-F300 HydrophobicContact CB-CZ 4.39Å |
| 299 | Q | 30.2 | Very low | 52.7 | Low | 179 Ų | 179 | 100.2 Ų | 100.2 | 84% | 0.836 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 116.5 | 166.2 | -84.5 | -175.7 | -28.7 | 0 | 0 | 108.3 | F297 | F297-Q299 PolarHBondContact O-N 2.89Š|
| 300 | F | 44.6 | Very low | 55.8 | Low | 110 Ų | 110 | 91.9 Ų | 91.9 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 128.9 | 172.3 | -62 | -83.6 | 0 | 0 | 0 | 109.6 | W150 C298 | W150-F300 WeakPolarHBondContact O-CG 3.08Å; C298-F300 HydrophobicContact CB-CE2 4.43Å; C298-F300 HydrophobicContact CB-CZ 4.39Å |
| 301 | E | 55.3 | Low | 58.8 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 55% | 0.547 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 141 | 173.3 | -71.8 | -173.8 | 171.2 | 0 | 0 | 111 | ||
| 302 | S | 67.1 | Low | 61.6 | Low | 31 Ų | 31 | 78.5 Ų | 78.5 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.5 | 172 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | L125 R149 | L125-S302 VanDerWaalsContact CD1-CB 3.46Å; L125-S302 PolarHBondContact N-O 3.15Å; R149-S302 WeakPolarHBondContact CG-OG 3.47Å; R149-S302 PolarHBondContact NE-OG 3.37Å |
| 303 | Q | 77.9 | Confident | 64.4 | Low | 43 Ų | 43 | 73 Ų | 73 | 20% | 0.201 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 162.8 | 176.7 | -64.5 | -172.2 | -12.4 | 0 | 0 | 111.4 | W122 L123 T147 N148 | W122-Q303 HydrophobicContact CE3-CB 3.9Å; L123-Q303 CarbonylContact O-C 3.57Å; L123-Q303 WeakPolarHBondContact O-CA 3.44Å; L123-Q303 WeakPolarHBondContact O-CB 3.5Å; T147-Q303 WeakPolarHBondContact CA-O 3.39Å; N148-Q303 PolarHBondContact N-O 3.05Å; N148-Q303 PolarHBondContact O-N 3.04Å |
| 304 | Q | 83.4 | Confident | 67.1 | Low | 51 Ų | 51 | 68.8 Ų | 68.8 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132 | 178 | -172.5 | 165.3 | 48 | 0 | 0 | 110.2 | L123 L125 P143 T147 T306 | L123-Q304 PolarHBondContact N-O 3.45Å; L123-Q304 PolarHBondContact O-N 3.37Å; L125-Q304 HydrophobicContact CD2-CB 4.17Å; P143-Q304 VanDerWaalsContact CB-CD 3.47Å; P143-Q304 HydrophobicContact CB-CG 3.76Å; T147-Q304 HydrophobicContact CG2-CB 4.29Å; T147-Q304 HydrophobicContact CG2-CG 4.35Å; Q304-T306 PolarHBondContact O-N 3.44Å |
| 305 | A | 88.4 | Confident | 69.3 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | E120 L121 W122 P143 L144 | E120-A305 HydrophobicContact CG-CB 4.03Å; L121-A305 CarbonylContact O-C 3.5Å; L121-A305 WeakPolarHBondContact O-CA 3.49Å; W122-A305 HydrophobicContact CD2-CB 4.04Å; W122-A305 HydrophobicContact CE3-CB 4.26Å; W122-A305 HydrophobicContact CH2-CB 4.12Å; W122-A305 HydrophobicContact CZ2-CB 3.89Å; W122-A305 HydrophobicContact CZ3-CB 4.29Å; P143-A305 CarbonylContact C-O 3.58Å; P143-A305 WeakPolarHBondContact CA-O 3.35Å; L144-A305 HydrophobicContact CB-CB 4.07Å; L144-A305 HydrophobicContact CD2-CB 4.49Å; L144-A305 PolarHBondContact N-O 2.97Å |
| 306 | T | 90.7 | Very high | 71.7 | Confident | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.8 | -177.7 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | L121 L123 D140 Q304 L308 | L121-T306 PolarHBondContact N-O 3.35Å; L121-T306 VanDerWaalsContact N-O 3.08Å; L121-T306 PolarHBondContact O-N 3.11Å; L123-T306 HydrophobicContact CD1-CG2 4.2Å; D140-T306 WeakPolarHBondContact OD1-CG2 3.44Å; Q304-T306 PolarHBondContact O-N 3.44Å; T306-L308 HydrophobicContact CG2-CD2 3.95Å |
| 307 | K | 95.6 | Very high | 74.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.5 | 177.3 | -57.1 | 166.9 | -65.7 | 170.6 | 0 | 109.4 | N118 L119 N141 G142 P143 L144 V324 D325 M327 | N118-K307 CarbonylContact O-C 3.54Å; N118-K307 WeakPolarHBondContact O-CA 3.2Å; L119-K307 WeakPolarHBondContact O-CG 3.38Å; N141-K307 HydrophobicContact CB-CB 3.95Å; N141-K307 PolarHBondContact N-O 3.46Å; N141-K307 WeakPolarHBondContact O-CE 3.28Å; N141-K307 PolarHBondContact O-NZ 3.25Å; G142-K307 VanDerWaalsContact O-CE 3.23Å; G142-K307 WeakPolarHBondContact O-CE 3.35Å; G142-K307 PolarHBondContact O-N 3.21Å; P143-K307 WeakPolarHBondContact O-CE 3.4Å; L144-K307 HydrophobicContact CB-CD 4.35Å; L144-K307 HydrophobicContact CB-CG 3.97Å; L144-K307 HydrophobicContact CD1-CD 3.85Å; L144-K307 HydrophobicContact CD1-CG 3.95Å; K307-V324 HydrophobicContact CB-CG1 4.39Å; K307-V324 WeakPolarHBondContact CD-O 3.4Å; K307-V324 PolarHBondContact NZ-O 2.79Å; K307-D325 PolarHBondContact NZ-O 2.73Å; K307-M327 WeakPolarHBondContact CD-O 3.38Å; K307-M327 WeakPolarHBondContact CE-O 3.35Å; K307-M327 PolarHBondContact NZ-O 2.79Å |
| 308 | L | 94.9 | Very high | 76.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.2 | -179.9 | -56.7 | 179.8 | 0 | 0 | 0 | 111 | I99 L102 I117 N118 L121 T129 V138 I139 D140 T306 | I99-L308 HydrophobicContact CD1-CD1 3.78Å; I99-L308 HydrophobicContact CG1-CD1 3.41Å; I99-L308 VanDerWaalsContact CG1-CD1 3.41Å; L102-L308 HydrophobicContact CD1-CB 3.43Å; L102-L308 VanDerWaalsContact CD1-CB 3.43Å; L102-L308 HydrophobicContact CD1-CD1 4.16Å; L102-L308 HydrophobicContact CD1-CG 4.46Å; I117-L308 WeakPolarHBondContact CA-O 3.49Å; N118-L308 PolarHBondContact N-O 3.42Å; N118-L308 PolarHBondContact O-N 2.94Å; L121-L308 HydrophobicContact CD2-CD1 3.58Å; T129-L308 HydrophobicContact CG2-CD2 4.08Å; V138-L308 HydrophobicContact CG1-CB 4.35Å; I139-L308 WeakPolarHBondContact O-CA 3.36Å; D140-L308 HydrophobicContact CB-CD2 4.08Å; T306-L308 HydrophobicContact CG2-CD2 3.95Å |
| 309 | S | 95.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 156.7 | 175.8 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | H116 V138 I139 N141 | H116-S309 WeakPolarHBondContact O-CA 3.47Å; V138-S309 CarbonylContact C-O 3.52Å; V138-S309 WeakPolarHBondContact CA-O 3.4Å; I139-S309 PolarHBondContact N-O 3.37Å; I139-S309 PolarHBondContact O-N 2.69Å; N141-S309 WeakPolarHBondContact OD1-CB 3.49Å; N141-S309 PolarHBondContact OD1-OG 2.8Å |
| 310 | W | 93.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 134.7 | 170.4 | 170.1 | 57.2 | 0 | 0 | 0 | 111.6 | F46 F48 C104 L112 P113 H116 K312 L313 | F46-W310 HydrophobicContact CZ-CZ3 4.15Å; F48-W310 HydrophobicContact CD1-CH2 4.18Å; F48-W310 AromaticContact CD2-CH2 3.66Å; F48-W310 HydrophobicContact CD2-CH2 3.66Å; F48-W310 HydrophobicContact CD2-CZ3 4.46Å; F48-W310 HydrophobicContact CE1-CH2 4.05Å; F48-W310 HydrophobicContact CE1-CZ2 4.23Å; F48-W310 AromaticContact CE2-CH2 3.54Å; F48-W310 HydrophobicContact CE2-CH2 3.54Å; F48-W310 HydrophobicContact CE2-CZ2 4.07Å; F48-W310 AromaticContact CG-CH2 3.99Å; F48-W310 HydrophobicContact CG-CH2 3.99Å; F48-W310 AromaticContact CZ-CH2 3.74Å; F48-W310 HydrophobicContact CZ-CH2 3.74Å; F48-W310 AromaticContact CZ-CZ2 3.88Å; F48-W310 HydrophobicContact CZ-CZ2 3.88Å; C104-W310 PolarHBondContact SG-NE1 3.29Å; L112-W310 HydrophobicContact CD2-CH2 4.39Å; P113-W310 HydrophobicContact CG-CB 3.96Å; P113-W310 HydrophobicContact CG-CD2 4.31Å; P113-W310 HydrophobicContact CG-CG 3.76Å; H116-W310 PolarHBondContact O-N 3.35Å; W310-K312 HydrophobicContact CD2-CB 4.06Å; W310-K312 HydrophobicContact CE3-CB 4.09Å; W310-K312 HydrophobicContact CH2-CB 3.48Å; W310-K312 VanDerWaalsContact CH2-CB 3.48Å; W310-K312 HydrophobicContact CH2-CD 4.26Å; W310-K312 HydrophobicContact CH2-CG 4.45Å; W310-K312 HydrophobicContact CZ2-CB 3.43Å; W310-K312 VanDerWaalsContact CZ2-CB 3.43Å; W310-K312 HydrophobicContact CZ2-CD 3.88Å; W310-K312 HydrophobicContact CZ2-CG 4.07Å; W310-K312 HydrophobicContact CZ3-CB 3.8Å; W310-K312 PolarHBondContact O-N 3.44Å; W310-L313 HydrophobicContact CE3-CB 4.21Å; W310-L313 WeakPolarHBondContact O-CB 3.4Å; W310-L313 PolarHBondContact O-N 2.8Å |
| 311 | A | 88 | Confident | 85.1 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N136 R137 I139 L313 | N136-A311 WeakPolarHBondContact O-CB 3.29Å; R137-A311 VanDerWaalsContact C-CB 3.43Å; R137-A311 VanDerWaalsContact O-CB 3.3Å; R137-A311 WeakPolarHBondContact O-CB 3.4Å; R137-A311 PolarHBondContact O-N 3.06Å; I139-A311 HydrophobicContact CD1-CB 4.18Å; I139-A311 HydrophobicContact CG1-CB 4.04Å; A311-L313 PolarHBondContact O-N 2.85Å |
| 312 | K | 87.1 | Confident | 86.9 | Confident | 49 Ų | 49 | 30.8 Ų | 30.8 | 21% | 0.213 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5 | 176.7 | -73.8 | -172 | 176.4 | 171.5 | 0 | 113.3 | F48 N108 C109 W310 K314 S315 T316 | F48-K312 HydrophobicContact CE2-CD 3.88Å; F48-K312 HydrophobicContact CZ-CD 4.11Å; N108-K312 WeakPolarHBondContact O-CE 3.17Å; N108-K312 PolarHBondContact O-NZ 2.98Å; C109-K312 VanDerWaalsContact C-NZ 3.34Å; C109-K312 HydrophobicContact CB-CD 3.9Å; C109-K312 HydrophobicContact CB-CG 4.25Å; C109-K312 WeakPolarHBondContact O-CD 3.36Å; C109-K312 WeakPolarHBondContact O-CE 3.34Å; C109-K312 PolarHBondContact O-NZ 2.85Å; W310-K312 HydrophobicContact CD2-CB 4.06Å; W310-K312 HydrophobicContact CE3-CB 4.09Å; W310-K312 HydrophobicContact CH2-CB 3.48Å; W310-K312 VanDerWaalsContact CH2-CB 3.48Å; W310-K312 HydrophobicContact CH2-CD 4.26Å; W310-K312 HydrophobicContact CH2-CG 4.45Å; W310-K312 HydrophobicContact CZ2-CB 3.43Å; W310-K312 VanDerWaalsContact CZ2-CB 3.43Å; W310-K312 HydrophobicContact CZ2-CD 3.88Å; W310-K312 HydrophobicContact CZ2-CG 4.07Å; W310-K312 HydrophobicContact CZ3-CB 3.8Å; W310-K312 PolarHBondContact O-N 3.44Å; K312-K314 PolarHBondContact O-N 2.78Å; K312-S315 PolarHBondContact O-N 2.85Å; K312-S315 PolarHBondContact O-OG 3.21Å; K312-S315 VanDerWaalsContact O-OG 3.09Å; K312-T316 VanDerWaalsContact O-CB 3.28Å; K312-T316 WeakPolarHBondContact O-CB 3.31Å; K312-T316 PolarHBondContact O-N 3.07Å; K312-T316 PolarHBondContact O-OG1 3.34Å |
| 313 | L | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57 | -36.5 | 174 | -170.1 | 72.3 | 0 | 0 | 0 | 111 | L55 I117 W310 A311 S315 T316 V317 I320 V324 | L55-L313 HydrophobicContact CD1-CD1 3.97Å; I117-L313 HydrophobicContact CD1-CD2 3.87Å; I117-L313 HydrophobicContact CG1-CD2 3.69Å; W310-L313 HydrophobicContact CE3-CB 4.21Å; W310-L313 WeakPolarHBondContact O-CB 3.4Å; W310-L313 PolarHBondContact O-N 2.8Å; A311-L313 PolarHBondContact O-N 2.85Å; L313-S315 PolarHBondContact O-N 2.75Å; L313-T316 PolarHBondContact O-N 3.42Å; L313-V317 HydrophobicContact CD1-CB 4.35Å; L313-V317 HydrophobicContact CD1-CG2 3.97Å; L313-V317 CarbonylContact O-C 3.46Å; L313-V317 PolarHBondContact O-N 3.05Å; L313-I320 HydrophobicContact CD1-CG2 4.14Å; L313-I320 HydrophobicContact CD2-CG2 4.18Å; L313-I320 HydrophobicContact CG-CG2 4.37Å; L313-V324 HydrophobicContact CD2-CG2 4.49Å |
| 314 | K | 84.5 | Confident | 89.1 | Confident | 121 Ų | 121 | 27.3 Ų | 27.3 | 53% | 0.526 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.6 | -44 | 178.7 | -172.8 | 174.2 | -177.9 | 175.4 | 0 | 113.4 | I139 K312 Y321 | I139-K314 HydrophobicContact CD1-CB 4.47Å; K312-K314 PolarHBondContact O-N 2.78Å; K314-Y321 HydrophobicContact CB-CD1 4.22Å; K314-Y321 HydrophobicContact CB-CD2 3.66Å; K314-Y321 HydrophobicContact CB-CE1 4.45Å; K314-Y321 HydrophobicContact CB-CE2 3.86Å; K314-Y321 HydrophobicContact CB-CG 3.85Å; K314-Y321 HydrophobicContact CD-CD1 4.41Å; K314-Y321 HydrophobicContact CD-CE1 3.95Å; K314-Y321 HydrophobicContact CD-CE2 4.22Å; K314-Y321 HydrophobicContact CG-CD1 3.85Å; K314-Y321 HydrophobicContact CG-CD2 4.17Å; K314-Y321 HydrophobicContact CG-CE1 3.91Å; K314-Y321 HydrophobicContact CG-CE2 4.18Å; K314-Y321 HydrophobicContact CG-CG 4.01Å |
| 315 | S | 74.7 | Confident | 89.7 | Confident | 93 Ų | 93 | 28.2 Ų | 28.2 | 65% | 0.65 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -83.7 | -28.8 | 179.9 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | K312 L313 | K312-S315 PolarHBondContact O-N 2.85Å; K312-S315 PolarHBondContact O-OG 3.21Å; K312-S315 VanDerWaalsContact O-OG 3.09Å; L313-S315 PolarHBondContact O-N 2.75Å |
| 316 | T | 77.8 | Confident | 90 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 23% | 0.233 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -86.9 | -37.6 | -173.1 | -43.2 | 0 | 0 | 0 | 0 | 111.8 | F46 H47 F48 K312 L313 | F46-T316 HydrophobicContact CD2-CG2 4.28Å; F46-T316 HydrophobicContact CE2-CG2 3.66Å; H47-T316 WeakPolarHBondContact O-CG2 3.38Å; F48-T316 HydrophobicContact CB-CG2 4.35Å; F48-T316 HydrophobicContact CD2-CG2 4.11Å; K312-T316 VanDerWaalsContact O-CB 3.28Å; K312-T316 WeakPolarHBondContact O-CB 3.31Å; K312-T316 PolarHBondContact O-N 3.07Å; K312-T316 PolarHBondContact O-OG1 3.34Å; L313-T316 PolarHBondContact O-N 3.42Å |
| 317 | V | 82.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | trans | -140.9 | 68.4 | -174 | -145.3 | 0 | 0 | 0 | 0 | 111.3 | F46 Y82 L313 L319 I320 Y321 | F46-V317 HydrophobicContact CD2-CG2 3.13Å; F46-V317 HydrophobicContact CE2-CG2 3.34Å; F46-V317 HydrophobicContact CG-CG2 4.17Å; Y82-V317 HydrophobicContact CD1-CG1 4.24Å; Y82-V317 HydrophobicContact CE1-CG1 3.33Å; Y82-V317 HydrophobicContact CE2-CG1 4.13Å; Y82-V317 WeakPolarHBondContact OH-CG1 3.03Å; L313-V317 HydrophobicContact CD1-CB 4.35Å; L313-V317 HydrophobicContact CD1-CG2 3.97Å; L313-V317 CarbonylContact O-C 3.46Å; L313-V317 PolarHBondContact O-N 3.05Å; V317-L319 VanDerWaalsContact C-N 3.3Å; V317-L319 PolarHBondContact O-N 2.97Å; V317-L319 VanDerWaalsContact O-N 3.14Å; V317-I320 HydrophobicContact CB-CB 3.98Å; V317-I320 HydrophobicContact CB-CG1 4.3Å; V317-I320 HydrophobicContact CG1-CB 3.8Å; V317-I320 HydrophobicContact CG1-CG1 3.56Å; V317-I320 WeakPolarHBondContact O-CB 3.34Å; V317-I320 PolarHBondContact O-N 3.19Å; V317-Y321 PolarHBondContact O-N 3.1Å | ||
| 318 | P | 84.4 | Confident | 90.1 | Very high | 67 Ų | 67 | 35.7 Ų | 35.7 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.6 | -36.3 | -167.9 | -25.5 | 33.9 | 0 | 0 | 0 | 114.7 | Y321 Q322 | P318-Y321 PolarHBondContact O-N 3.3Å; P318-Q322 WeakPolarHBondContact O-CB 3.35Å; P318-Q322 VanDerWaalsContact O-CG 3.3Å; P318-Q322 WeakPolarHBondContact O-CG 3.46Å; P318-Q322 PolarHBondContact O-N 3.19Å |
| 319 | L | 89.5 | Confident | 89.9 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 178 | -69.6 | 176.3 | 0 | 0 | 0 | 112.3 | L80 Y82 V317 L323 | L80-L319 HydrophobicContact CD1-CB 4.26Å; L80-L319 HydrophobicContact CD2-CB 4.48Å; Y82-L319 HydrophobicContact CE2-CB 4.37Å; V317-L319 VanDerWaalsContact C-N 3.3Å; V317-L319 PolarHBondContact O-N 2.97Å; V317-L319 VanDerWaalsContact O-N 3.14Å; L319-L323 PolarHBondContact O-N 3.21Å |
| 320 | I | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -46 | 176.1 | -72.2 | -65.4 | 0 | 0 | 0 | 110.2 | L55 F72 A76 L80 Y82 I117 L313 V317 Q322 L323 V324 | L55-I320 HydrophobicContact CD1-CG2 4.32Å; L55-I320 HydrophobicContact CD2-CD1 4.02Å; L55-I320 HydrophobicContact CD2-CG1 4.33Å; L55-I320 HydrophobicContact CD2-CG2 3.82Å; F72-I320 HydrophobicContact CZ-CD1 4.3Å; F72-I320 HydrophobicContact CZ-CG2 4.03Å; A76-I320 HydrophobicContact CB-CD1 3.66Å; L80-I320 HydrophobicContact CD1-CD1 4.03Å; Y82-I320 HydrophobicContact CD1-CG1 4.44Å; Y82-I320 HydrophobicContact CD2-CD1 3.62Å; Y82-I320 HydrophobicContact CD2-CG1 3.67Å; Y82-I320 HydrophobicContact CE1-CG1 4.43Å; Y82-I320 HydrophobicContact CE2-CD1 4.07Å; Y82-I320 HydrophobicContact CE2-CG1 3.65Å; Y82-I320 HydrophobicContact CG-CD1 4.04Å; Y82-I320 HydrophobicContact CG-CG1 4.08Å; I117-I320 HydrophobicContact CD1-CG2 3.87Å; L313-I320 HydrophobicContact CD1-CG2 4.14Å; L313-I320 HydrophobicContact CD2-CG2 4.18Å; L313-I320 HydrophobicContact CG-CG2 4.37Å; V317-I320 HydrophobicContact CB-CB 3.98Å; V317-I320 HydrophobicContact CB-CG1 4.3Å; V317-I320 HydrophobicContact CG1-CB 3.8Å; V317-I320 HydrophobicContact CG1-CG1 3.56Å; V317-I320 WeakPolarHBondContact O-CB 3.34Å; V317-I320 PolarHBondContact O-N 3.19Å; I320-Q322 VanDerWaalsContact C-N 3.32Å; I320-Q322 PolarHBondContact O-N 3.36Å; I320-L323 WeakPolarHBondContact O-CB 3.43Å; I320-L323 PolarHBondContact O-N 3.22Å; I320-L323 VanDerWaalsContact O-N 3.11Å; I320-V324 WeakPolarHBondContact O-CG2 3.2Å; I320-V324 PolarHBondContact O-N 2.92Å |
| 321 | Y | 94.1 | Very high | 89 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 174.9 | 175 | -88.8 | 0 | 0 | 0 | 111.4 | I139 N141 K314 V317 P318 L323 V324 D325 | I139-Y321 HydrophobicContact CD1-CE2 3.86Å; I139-Y321 HydrophobicContact CG2-CE2 4.2Å; N141-Y321 WeakPolarHBondContact ND2-CE2 3.35Å; K314-Y321 HydrophobicContact CB-CD1 4.22Å; K314-Y321 HydrophobicContact CB-CD2 3.66Å; K314-Y321 HydrophobicContact CB-CE1 4.45Å; K314-Y321 HydrophobicContact CB-CE2 3.86Å; K314-Y321 HydrophobicContact CB-CG 3.85Å; K314-Y321 HydrophobicContact CD-CD1 4.41Å; K314-Y321 HydrophobicContact CD-CE1 3.95Å; K314-Y321 HydrophobicContact CD-CE2 4.22Å; K314-Y321 HydrophobicContact CG-CD1 3.85Å; K314-Y321 HydrophobicContact CG-CD2 4.17Å; K314-Y321 HydrophobicContact CG-CE1 3.91Å; K314-Y321 HydrophobicContact CG-CE2 4.18Å; K314-Y321 HydrophobicContact CG-CG 4.01Å; V317-Y321 PolarHBondContact O-N 3.1Å; P318-Y321 PolarHBondContact O-N 3.3Å; Y321-L323 VanDerWaalsContact C-N 3.28Å; Y321-L323 PolarHBondContact O-N 3.31Å; Y321-V324 PolarHBondContact O-N 2.94Å; Y321-D325 HydrophobicContact CE1-CB 4.2Å; Y321-D325 VanDerWaalsContact O-CB 3.29Å; Y321-D325 WeakPolarHBondContact O-CB 3.4Å; Y321-D325 PolarHBondContact O-N 3.45Å |
| 322 | Q | 92.7 | Very high | 88.8 | Confident | 63 Ų | 63 | 42.4 Ų | 42.4 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.5 | -36.1 | 176.4 | -76.8 | -177.7 | 29.3 | 0 | 0 | 112.9 | P318 I320 R326 K376 | P318-Q322 WeakPolarHBondContact O-CB 3.35Å; P318-Q322 VanDerWaalsContact O-CG 3.3Å; P318-Q322 WeakPolarHBondContact O-CG 3.46Å; P318-Q322 PolarHBondContact O-N 3.19Å; I320-Q322 VanDerWaalsContact C-N 3.32Å; I320-Q322 PolarHBondContact O-N 3.36Å; Q322-R326 VanDerWaalsContact O-CB 3.31Å; Q322-R326 WeakPolarHBondContact O-CB 2.99Å; Q322-R326 VanDerWaalsContact O-CG 3.28Å; Q322-R326 WeakPolarHBondContact O-CG 3.2Å; Q322-R326 PolarHBondContact O-N 3.31Å; Q322-K376 PolarHBondContact OE1-O 2.96Å |
| 323 | L | 96.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -48.3 | 174.9 | 177.6 | 59.1 | 0 | 0 | 0 | 111 | F72 L75 A76 L80 L319 I320 Y321 D325 R326 M327 W374 T375 | F72-L323 HydrophobicContact CD2-CD2 3.71Å; F72-L323 HydrophobicContact CD2-CG 3.82Å; F72-L323 HydrophobicContact CE2-CB 4.27Å; F72-L323 HydrophobicContact CE2-CD2 3.66Å; F72-L323 HydrophobicContact CE2-CG 3.75Å; F72-L323 HydrophobicContact CG-CD2 4.31Å; F72-L323 HydrophobicContact CZ-CD2 4.24Å; L75-L323 HydrophobicContact CB-CD1 4.41Å; L75-L323 HydrophobicContact CB-CD2 3.96Å; L75-L323 HydrophobicContact CD1-CD1 3.95Å; A76-L323 HydrophobicContact CB-CD2 4.35Å; L80-L323 HydrophobicContact CD1-CB 4.17Å; L80-L323 HydrophobicContact CD1-CD2 3.88Å; L319-L323 PolarHBondContact O-N 3.21Å; I320-L323 WeakPolarHBondContact O-CB 3.43Å; I320-L323 PolarHBondContact O-N 3.22Å; I320-L323 VanDerWaalsContact O-N 3.11Å; Y321-L323 VanDerWaalsContact C-N 3.28Å; Y321-L323 PolarHBondContact O-N 3.31Å; L323-D325 VanDerWaalsContact C-N 3.34Å; L323-D325 PolarHBondContact O-N 2.87Å; L323-R326 PolarHBondContact O-N 2.94Å; L323-M327 VanDerWaalsContact O-CB 3.25Å; L323-M327 WeakPolarHBondContact O-CB 3.4Å; L323-M327 PolarHBondContact O-N 2.95Å; L323-W374 HydrophobicContact CD1-CB 3.96Å; L323-T375 HydrophobicContact CD1-CG2 3.98Å |
| 324 | V | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.2 | -49.2 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | F72 I117 L119 N141 K307 L313 I320 Y321 R326 | F72-V324 HydrophobicContact CE2-CG2 3.55Å; F72-V324 HydrophobicContact CZ-CG2 4.05Å; I117-V324 HydrophobicContact CD1-CG2 3.7Å; I117-V324 HydrophobicContact CG1-CG2 4.16Å; I117-V324 HydrophobicContact CG2-CG1 4.32Å; I117-V324 HydrophobicContact CG2-CG2 3.89Å; L119-V324 HydrophobicContact CD2-CG1 4.04Å; L119-V324 HydrophobicContact CD2-CG2 4.29Å; N141-V324 HydrophobicContact CB-CG1 3.9Å; K307-V324 HydrophobicContact CB-CG1 4.39Å; K307-V324 WeakPolarHBondContact CD-O 3.4Å; K307-V324 PolarHBondContact NZ-O 2.79Å; L313-V324 HydrophobicContact CD2-CG2 4.49Å; I320-V324 WeakPolarHBondContact O-CG2 3.2Å; I320-V324 PolarHBondContact O-N 2.92Å; Y321-V324 PolarHBondContact O-N 2.94Å; V324-R326 VanDerWaalsContact C-N 3.35Å; V324-R326 PolarHBondContact O-N 3.19Å |
| 325 | D | 94.7 | Very high | 88.5 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61 | -42.2 | -175.9 | -159.7 | 65.7 | 0 | 0 | 0 | 112.1 | N141 K307 Y321 L323 | N141-D325 PolarHBondContact ND2-OD1 3.24Å; N141-D325 VanDerWaalsContact ND2-OD1 3.11Å; K307-D325 PolarHBondContact NZ-O 2.73Å; Y321-D325 HydrophobicContact CE1-CB 4.2Å; Y321-D325 VanDerWaalsContact O-CB 3.29Å; Y321-D325 WeakPolarHBondContact O-CB 3.4Å; Y321-D325 PolarHBondContact O-N 3.45Å; L323-D325 VanDerWaalsContact C-N 3.34Å; L323-D325 PolarHBondContact O-N 2.87Å |
| 326 | R | 94.9 | Very high | 88.9 | Confident | 88 Ų | 88 | 39 Ų | 39 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -90.3 | -20.7 | -174.2 | -66.3 | 175.7 | 180 | 152.4 | 3.1 | 115.2 | Q322 L323 V324 H328 W374 | Q322-R326 VanDerWaalsContact O-CB 3.31Å; Q322-R326 WeakPolarHBondContact O-CB 2.99Å; Q322-R326 VanDerWaalsContact O-CG 3.28Å; Q322-R326 WeakPolarHBondContact O-CG 3.2Å; Q322-R326 PolarHBondContact O-N 3.31Å; L323-R326 PolarHBondContact O-N 2.94Å; V324-R326 VanDerWaalsContact C-N 3.35Å; V324-R326 PolarHBondContact O-N 3.19Å; R326-H328 PolarHBondContact O-N 3.2Å; R326-W374 HydrophobicContact CB-CB 4.05Å; R326-W374 HydrophobicContact CB-CG 4.24Å; R326-W374 WeakPolarHBondContact CD-O 3.2Å; R326-W374 PolarHBondContact NH1-O 2.98Å; R326-W374 PolarHBondContact O-NE1 3.45Å; R326-W374 VanDerWaalsContact O-NE1 3.1Å |
| 327 | M | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -60.1 | 120.1 | -178.4 | -173.5 | 167.1 | -172.9 | 0 | 0 | 110.8 | V68 I71 F72 L119 L144 K307 L323 F329 W374 | V68-M327 HydrophobicContact CG1-CE 4Å; V68-M327 WeakPolarHBondContact O-CE 3.4Å; I71-M327 HydrophobicContact CB-CE 3.85Å; I71-M327 HydrophobicContact CG2-CE 3.54Å; F72-M327 HydrophobicContact CB-CE 4.37Å; F72-M327 HydrophobicContact CB-SD 4.18Å; F72-M327 HydrophobicContact CD2-SD 4.23Å; L119-M327 HydrophobicContact CD1-SD 4.18Å; L144-M327 HydrophobicContact CD1-CG 4.24Å; K307-M327 WeakPolarHBondContact CD-O 3.38Å; K307-M327 WeakPolarHBondContact CE-O 3.35Å; K307-M327 PolarHBondContact NZ-O 2.79Å; L323-M327 VanDerWaalsContact O-CB 3.25Å; L323-M327 WeakPolarHBondContact O-CB 3.4Å; L323-M327 PolarHBondContact O-N 2.95Å; M327-F329 HydrophobicContact CE-CE2 3.68Å; M327-F329 HydrophobicContact CE-CZ 3.54Å; M327-F329 HydrophobicContact CG-CE2 4.13Å; M327-W374 HydrophobicContact CB-CD2 4.33Å; M327-W374 HydrophobicContact CB-CE3 4.22Å; M327-W374 HydrophobicContact CB-CZ3 4.45Å; M327-W374 HydrophobicContact CE-CZ3 4.25Å; M327-W374 HydrophobicContact CG-CD2 4.45Å; M327-W374 HydrophobicContact CG-CE3 3.96Å; M327-W374 HydrophobicContact CG-CH2 3.97Å; M327-W374 HydrophobicContact CG-CZ2 4.46Å; M327-W374 HydrophobicContact CG-CZ3 3.72Å; M327-W374 HydrophobicContact SD-CZ3 4.49Å | ||
| 328 | H | 93.2 | Very high | 89.1 | Confident | 86 Ų | 86 | 39.5 Ų | 39.5 | 40% | 0.398 | 20% | 0.203 | S | C | . | . | trans | -158.1 | 127.3 | -177.5 | 175.9 | 23.3 | 0 | 0 | 0 | 112.1 | L144 R326 W374 | L144-H328 CarbonylContact O-C 3.46Å; L144-H328 VanDerWaalsContact O-CA 3.26Å; L144-H328 WeakPolarHBondContact O-CA 3.42Å; L144-H328 PolarHBondContact O-ND1 3.01Å; R326-H328 PolarHBondContact O-N 3.2Å; H328-W374 VanDerWaalsContact N-CZ2 3.34Å; H328-W374 WeakPolarHBondContact O-CZ2 3.01Å | ||
| 329 | F | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -101.3 | 142.2 | 177.8 | -58.5 | -90.1 | 0 | 0 | 0 | 112.3 | V68 I71 L144 G145 P146 M327 E333 Y334 L337 W363 W374 | V68-F329 HydrophobicContact CG1-CE2 4.49Å; V68-F329 HydrophobicContact CG2-CE2 4.25Å; I71-F329 HydrophobicContact CD1-CE1 3.82Å; I71-F329 HydrophobicContact CD1-CZ 3.75Å; I71-F329 HydrophobicContact CG2-CZ 4.41Å; L144-F329 HydrophobicContact CD1-CD2 3.93Å; L144-F329 HydrophobicContact CD1-CE2 3.81Å; L144-F329 HydrophobicContact CG-CD2 3.93Å; L144-F329 HydrophobicContact CG-CE2 4.21Å; L144-F329 PolarHBondContact O-N 2.84Å; G145-F329 WeakPolarHBondContact CA-O 3.45Å; P146-F329 WeakPolarHBondContact CD-O 3.39Å; M327-F329 HydrophobicContact CE-CE2 3.68Å; M327-F329 HydrophobicContact CE-CZ 3.54Å; M327-F329 HydrophobicContact CG-CE2 4.13Å; F329-E333 HydrophobicContact CB-CB 4.37Å; F329-E333 HydrophobicContact CD1-CB 4.45Å; F329-Y334 HydrophobicContact CB-CD2 4.45Å; F329-L337 HydrophobicContact CD1-CD1 4.08Å; F329-L337 HydrophobicContact CE1-CD1 3.86Å; F329-L337 HydrophobicContact CZ-CD1 4.44Å; F329-W363 AromaticContact CD1-CH2 3.95Å; F329-W363 HydrophobicContact CD1-CH2 3.95Å; F329-W363 AromaticContact CD1-CZ2 3.63Å; F329-W363 HydrophobicContact CD1-CZ2 3.63Å; F329-W363 HydrophobicContact CE1-CD2 4.39Å; F329-W363 AromaticContact CE1-CE2 3.97Å; F329-W363 HydrophobicContact CE1-CE3 4.32Å; F329-W363 AromaticContact CE1-CH2 3.47Å; F329-W363 HydrophobicContact CE1-CH2 3.47Å; F329-W363 VanDerWaalsContact CE1-CH2 3.47Å; F329-W363 AromaticContact CE1-CZ2 3.52Å; F329-W363 HydrophobicContact CE1-CZ2 3.52Å; F329-W363 AromaticContact CE1-CZ3 3.88Å; F329-W363 HydrophobicContact CE1-CZ3 3.88Å; F329-W363 HydrophobicContact CZ-CH2 4.44Å; F329-W374 HydrophobicContact CD1-CH2 4.45Å; F329-W374 AromaticContact CE1-CH2 3.99Å; F329-W374 HydrophobicContact CE1-CH2 3.99Å; F329-W374 HydrophobicContact CE2-CH2 4.42Å; F329-W374 AromaticContact CZ-CH2 3.98Å; F329-W374 HydrophobicContact CZ-CH2 3.98Å; F329-W374 HydrophobicContact CZ-CZ3 4.48Å | ||
| 330 | S | 87 | Confident | 88.7 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | trans | -69.5 | 164.7 | 164.6 | 78.8 | 0 | 0 | 0 | 0 | 111.1 | S332 E333 Y334 | S330-S332 VanDerWaalsContact C-N 3.31Å; S330-S332 PolarHBondContact O-N 3.48Å; S330-S332 PolarHBondContact OG-OG 3.44Å; S330-E333 PolarHBondContact N-OE2 3.28Å; S330-E333 PolarHBondContact O-N 3.04Å; S330-E333 WeakPolarHBondContact OG-CB 3.45Å; S330-E333 VanDerWaalsContact OG-CG 3.24Å; S330-E333 WeakPolarHBondContact OG-CG 3.35Å; S330-E333 PolarHBondContact OG-N 3.21Å; S330-E333 PolarHBondContact OG-OE2 3.18Å; S330-Y334 WeakPolarHBondContact O-CB 3.32Å; S330-Y334 PolarHBondContact O-N 3.32Å | ||
| 331 | Q | 81.4 | Confident | 88.1 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 177.5 | -177.8 | 70.1 | 17.8 | 0 | 0 | 110.8 | P146 N148 E333 Y334 E335 | P146-Q331 HydrophobicContact CB-CB 4.48Å; P146-Q331 VanDerWaalsContact CG-CA 3.45Å; P146-Q331 HydrophobicContact CG-CB 3.51Å; P146-Q331 HydrophobicContact CG-CG 4.46Å; N148-Q331 PolarHBondContact ND2-NE2 3.46Å; N148-Q331 PolarHBondContact OD1-NE2 3.49Å; N148-Q331 VanDerWaalsContact OD1-NE2 3.08Å; Q331-E333 PolarHBondContact O-N 2.88Å; Q331-Y334 PolarHBondContact O-N 3.16Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.5Å; Q331-E335 PolarHBondContact NE2-OE1 2.86Å; Q331-E335 WeakPolarHBondContact O-CB 3.37Å; Q331-E335 WeakPolarHBondContact O-CG 3.49Å; Q331-E335 PolarHBondContact O-N 2.93Å |
| 332 | S | 83.6 | Confident | 87.3 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 48% | 0.476 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63 | -42.9 | -179.8 | 59.6 | 0 | 0 | 0 | 0 | 112 | S330 Y334 E335 D336 | S330-S332 VanDerWaalsContact C-N 3.31Å; S330-S332 PolarHBondContact O-N 3.48Å; S330-S332 PolarHBondContact OG-OG 3.44Å; S332-Y334 PolarHBondContact O-N 3.36Å; S332-E335 PolarHBondContact O-N 3.26Å; S332-D336 WeakPolarHBondContact O-CB 3.23Å; S332-D336 PolarHBondContact O-N 2.85Å |
| 333 | E | 87.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 51 Ų | 51 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178.5 | -73.2 | 167.3 | 170 | 0 | 0 | 111.2 | F329 S330 Q331 D336 L337 R370 | F329-E333 HydrophobicContact CB-CB 4.37Å; F329-E333 HydrophobicContact CD1-CB 4.45Å; S330-E333 PolarHBondContact N-OE2 3.28Å; S330-E333 PolarHBondContact O-N 3.04Å; S330-E333 WeakPolarHBondContact OG-CB 3.45Å; S330-E333 VanDerWaalsContact OG-CG 3.24Å; S330-E333 WeakPolarHBondContact OG-CG 3.35Å; S330-E333 PolarHBondContact OG-N 3.21Å; S330-E333 PolarHBondContact OG-OE2 3.18Å; Q331-E333 PolarHBondContact O-N 2.88Å; E333-D336 PolarHBondContact O-N 2.99Å; E333-L337 WeakPolarHBondContact O-CG 3.46Å; E333-L337 PolarHBondContact O-N 2.76Å; E333-L337 VanDerWaalsContact O-N 3.16Å; E333-R370 IonicContact OE1-CZ 2.94Å; E333-R370 IonicContact OE1-NE 3.71Å; E333-R370 PolarHBondContact OE1-NE 2.87Å; E333-R370 IonicContact OE1-NH2 3.21Å; E333-R370 PolarHBondContact OE1-NH2 3.42Å; E333-R370 IonicContact OE2-CZ 2.72Å; E333-R370 IonicContact OE2-NE 2.73Å; E333-R370 PolarHBondContact OE2-NE 3.38Å; E333-R370 IonicContact OE2-NH2 3.75Å |
| 334 | Y | 85.1 | Confident | 85.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 179 | -166.9 | -98.1 | 0 | 0 | 0 | 112.1 | S64 V68 E120 W122 L144 F329 S330 Q331 S332 D336 L337 L338 | S64-Y334 WeakPolarHBondContact CB-OH 3.11Å; S64-Y334 PolarHBondContact OG-OH 3.28Å; V68-Y334 HydrophobicContact CG2-CE2 4.28Å; E120-Y334 PolarHBondContact OE1-OH 3.45Å; E120-Y334 PolarHBondContact OE2-OH 3.01Å; W122-Y334 HydrophobicContact CH2-CE1 4.44Å; W122-Y334 HydrophobicContact CZ2-CE1 4.07Å; L144-Y334 HydrophobicContact CD2-CE2 4.3Å; F329-Y334 HydrophobicContact CB-CD2 4.45Å; S330-Y334 WeakPolarHBondContact O-CB 3.32Å; S330-Y334 PolarHBondContact O-N 3.32Å; Q331-Y334 PolarHBondContact O-N 3.16Å; S332-Y334 PolarHBondContact O-N 3.36Å; Y334-D336 VanDerWaalsContact C-N 3.32Å; Y334-D336 PolarHBondContact O-N 3.19Å; Y334-L337 WeakPolarHBondContact O-CB 3.48Å; Y334-L337 PolarHBondContact O-N 3.15Å; Y334-L338 HydrophobicContact CD1-CD1 3.92Å; Y334-L338 HydrophobicContact CD1-CG 4.47Å; Y334-L338 HydrophobicContact CE1-CD1 3.72Å; Y334-L338 HydrophobicContact CE1-CG 4.27Å; Y334-L338 PolarHBondContact O-N 3.37Å; Y334-L338 VanDerWaalsContact O-N 3.14Å |
| 335 | E | 81.8 | Confident | 84.2 | Confident | 74 Ų | 74 | 57 Ų | 57 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 174.5 | -76.7 | 179 | -169.7 | 0 | 0 | 112.6 | Q331 S332 L338 K339 | Q331-E335 WeakPolarHBondContact CG-OE1 3.5Å; Q331-E335 PolarHBondContact NE2-OE1 2.86Å; Q331-E335 WeakPolarHBondContact O-CB 3.37Å; Q331-E335 WeakPolarHBondContact O-CG 3.49Å; Q331-E335 PolarHBondContact O-N 2.93Å; S332-E335 PolarHBondContact O-N 3.26Å; E335-L338 PolarHBondContact O-N 3.33Å; E335-K339 WeakPolarHBondContact O-CG 3.37Å; E335-K339 PolarHBondContact O-N 3.45Å |
| 336 | D | 83.4 | Confident | 82.7 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.5 | -32.5 | 179.5 | -70.4 | -16.8 | 0 | 0 | 0 | 112.3 | S332 E333 Y334 K339 S340 | S332-D336 WeakPolarHBondContact O-CB 3.23Å; S332-D336 PolarHBondContact O-N 2.85Å; E333-D336 PolarHBondContact O-N 2.99Å; Y334-D336 VanDerWaalsContact C-N 3.32Å; Y334-D336 PolarHBondContact O-N 3.19Å; D336-K339 IonicContact OD1-NZ 3.32Å; D336-K339 PolarHBondContact OD1-NZ 3.45Å; D336-S340 WeakPolarHBondContact O-CB 3.01Å; D336-S340 PolarHBondContact O-N 3.24Å; D336-S340 PolarHBondContact O-OG 3.35Å |
| 337 | L | 84.8 | Confident | 81.5 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 168.7 | -69.9 | 175.7 | 0 | 0 | 0 | 111.1 | I67 I71 F329 E333 Y334 S340 A341 I359 W363 | I67-L337 HydrophobicContact CG2-CD1 4.36Å; I67-L337 HydrophobicContact CG2-CD2 3.88Å; I67-L337 HydrophobicContact CG2-CG 4.49Å; I71-L337 HydrophobicContact CD1-CD1 4.01Å; I71-L337 HydrophobicContact CD1-CD2 4.37Å; F329-L337 HydrophobicContact CD1-CD1 4.08Å; F329-L337 HydrophobicContact CE1-CD1 3.86Å; F329-L337 HydrophobicContact CZ-CD1 4.44Å; E333-L337 WeakPolarHBondContact O-CG 3.46Å; E333-L337 PolarHBondContact O-N 2.76Å; E333-L337 VanDerWaalsContact O-N 3.16Å; Y334-L337 WeakPolarHBondContact O-CB 3.48Å; Y334-L337 PolarHBondContact O-N 3.15Å; L337-S340 WeakPolarHBondContact O-CB 3.34Å; L337-S340 PolarHBondContact O-N 3.06Å; L337-A341 PolarHBondContact O-N 2.87Å; L337-I359 HydrophobicContact CD2-CG2 4.22Å; L337-W363 HydrophobicContact CD2-CB 3.69Å; L337-W363 VanDerWaalsContact CD2-CD1 3.47Å; L337-W363 HydrophobicContact CD2-CD2 4.37Å; L337-W363 HydrophobicContact CD2-CG 3.56Å; L337-W363 HydrophobicContact CG-CG 4.41Å |
| 338 | L | 80.2 | Confident | 80.1 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 178.2 | -73.7 | 173.9 | 0 | 0 | 0 | 112.7 | Y334 E335 S340 A341 N342 | Y334-L338 HydrophobicContact CD1-CD1 3.92Å; Y334-L338 HydrophobicContact CD1-CG 4.47Å; Y334-L338 HydrophobicContact CE1-CD1 3.72Å; Y334-L338 HydrophobicContact CE1-CG 4.27Å; Y334-L338 PolarHBondContact O-N 3.37Å; Y334-L338 VanDerWaalsContact O-N 3.14Å; E335-L338 PolarHBondContact O-N 3.33Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 2.93Å; L338-A341 WeakPolarHBondContact O-CB 3.02Å; L338-A341 PolarHBondContact O-N 2.62Å; L338-A341 VanDerWaalsContact O-N 3.14Å; L338-N342 VanDerWaalsContact O-CG 3.3Å; L338-N342 PolarHBondContact O-N 3.28Å; L338-N342 PolarHBondContact O-ND2 3.31Å |
| 339 | K | 82.3 | Confident | 78.6 | Confident | 102 Ų | 102 | 62 Ų | 62 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 174.8 | -72.6 | 170.8 | -160.6 | 152.8 | 0 | 111 | E335 D336 A341 N342 H343 | E335-K339 WeakPolarHBondContact O-CG 3.37Å; E335-K339 PolarHBondContact O-N 3.45Å; D336-K339 IonicContact OD1-NZ 3.32Å; D336-K339 PolarHBondContact OD1-NZ 3.45Å; K339-A341 VanDerWaalsContact C-N 3.28Å; K339-A341 PolarHBondContact O-N 2.94Å; K339-N342 PolarHBondContact O-N 2.81Å; K339-H343 PolarHBondContact O-CD2 2.65Å; K339-H343 PolarHBondContact O-N 3.42Å |
| 340 | S | 82.2 | Confident | 77.1 | Confident | 50 Ų | 50 | 68 Ų | 68 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61 | -38.4 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | D336 L337 L338 | D336-S340 WeakPolarHBondContact O-CB 3.01Å; D336-S340 PolarHBondContact O-N 3.24Å; D336-S340 PolarHBondContact O-OG 3.35Å; L337-S340 WeakPolarHBondContact O-CB 3.34Å; L337-S340 PolarHBondContact O-N 3.06Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 2.93Å |
| 341 | A | 81.7 | Confident | 76.7 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 8% | 0.083 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I67 L337 L338 K339 H343 L344 Y356 I359 | I67-A341 HydrophobicContact CD1-CB 3.68Å; L337-A341 PolarHBondContact O-N 2.87Å; L338-A341 WeakPolarHBondContact O-CB 3.02Å; L338-A341 PolarHBondContact O-N 2.62Å; L338-A341 VanDerWaalsContact O-N 3.14Å; K339-A341 VanDerWaalsContact C-N 3.28Å; K339-A341 PolarHBondContact O-N 2.94Å; A341-H343 PolarHBondContact O-N 3.01Å; A341-L344 WeakPolarHBondContact O-CB 3.18Å; A341-L344 WeakPolarHBondContact O-CG 3.5Å; A341-L344 PolarHBondContact O-N 3.43Å; A341-L344 VanDerWaalsContact O-N 3.16Å; A341-Y356 HydrophobicContact CB-CE1 4.43Å; A341-I359 HydrophobicContact CB-CD1 4.38Å |
| 342 | N | 77 | Confident | 76.7 | Confident | 107 Ų | 107 | 71.1 Ų | 71.1 | 57% | 0.572 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.6 | -16.3 | 179.8 | -72.2 | -18.5 | 0 | 0 | 0 | 113.6 | L338 K339 | L338-N342 VanDerWaalsContact O-CG 3.3Å; L338-N342 PolarHBondContact O-N 3.28Å; L338-N342 PolarHBondContact O-ND2 3.31Å; K339-N342 PolarHBondContact O-N 2.81Å |
| 343 | H | 76.1 | Confident | 76.8 | Confident | 160 Ų | 160 | 74.5 Ų | 74.5 | 74% | 0.741 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -0.2 | 175.3 | -71.4 | -53.6 | 0 | 0 | 0 | 113.6 | K339 A341 | K339-H343 PolarHBondContact O-CD2 2.65Å; K339-H343 PolarHBondContact O-N 3.42Å; A341-H343 PolarHBondContact O-N 3.01Å |
| 344 | L | 75.2 | Confident | 76.7 | Confident | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | trans | -75.1 | 125.2 | 176.7 | -61.4 | 179.6 | 0 | 0 | 0 | 110 | A341 P346 Q355 Y356 I359 | A341-L344 WeakPolarHBondContact O-CB 3.18Å; A341-L344 WeakPolarHBondContact O-CG 3.5Å; A341-L344 PolarHBondContact O-N 3.43Å; A341-L344 VanDerWaalsContact O-N 3.16Å; L344-P346 VanDerWaalsContact O-CD 3.29Å; L344-P346 WeakPolarHBondContact O-CD 3.37Å; L344-Q355 HydrophobicContact CD1-CB 3.85Å; L344-Q355 HydrophobicContact CD2-CB 3.95Å; L344-Q355 HydrophobicContact CG-CB 4.48Å; L344-Y356 HydrophobicContact CD1-CD1 3.7Å; L344-Y356 HydrophobicContact CD1-CE1 3.57Å; L344-I359 HydrophobicContact CD1-CD1 3.7Å; L344-I359 HydrophobicContact CD2-CD1 3.97Å; L344-I359 HydrophobicContact CG-CD1 4Å | ||
| 345 | D | 68.8 | Low | 76.9 | Confident | 84 Ų | 84 | 76 Ų | 76 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | trans | -83.5 | 112.6 | 172.9 | -178.2 | 4.3 | 0 | 0 | 0 | 109.1 | N347 S348 | D345-N347 PolarHBondContact O-N 2.83Å; D345-N347 VanDerWaalsContact O-N 3.13Å; D345-N347 WeakPolarHBondContact OD1-CB 2.95Å; D345-N347 PolarHBondContact OD1-N 3.42Å; D345-N347 PolarHBondContact OD1-ND2 2.94Å; D345-S348 WeakPolarHBondContact O-CB 3.28Å; D345-S348 PolarHBondContact O-N 3.2Å; D345-S348 VanDerWaalsContact O-N 3.12Å; D345-S348 PolarHBondContact O-OG 3.29Å; D345-S348 VanDerWaalsContact O-OG 3.05Å | ||
| 346 | P | 65.2 | Low | 77.3 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.8 | 176.8 | 24.1 | -31.5 | 0 | 0 | 0 | 112.9 | L344 L352 | L344-P346 VanDerWaalsContact O-CD 3.29Å; L344-P346 WeakPolarHBondContact O-CD 3.37Å; P346-L352 HydrophobicContact CB-CD1 4.11Å |
| 347 | N | 68.7 | Low | 77.7 | Confident | 142 Ų | 142 | 71.7 Ų | 71.7 | 76% | 0.759 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.9 | 178.5 | -55.6 | -57 | 0 | 0 | 0 | 114 | D345 G349 | D345-N347 PolarHBondContact O-N 2.83Å; D345-N347 VanDerWaalsContact O-N 3.13Å; D345-N347 WeakPolarHBondContact OD1-CB 2.95Å; D345-N347 PolarHBondContact OD1-N 3.42Å; D345-N347 PolarHBondContact OD1-ND2 2.94Å; N347-G349 PolarHBondContact O-N 3.47Å |
| 348 | S | 66.3 | Low | 78 | Confident | 55 Ų | 55 | 75.8 Ų | 75.8 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -64 | -5.3 | -177.4 | 67 | 0 | 0 | 0 | 0 | 114.5 | D345 Q350 Q355 | D345-S348 WeakPolarHBondContact O-CB 3.28Å; D345-S348 PolarHBondContact O-N 3.2Å; D345-S348 VanDerWaalsContact O-N 3.12Å; D345-S348 PolarHBondContact O-OG 3.29Å; D345-S348 VanDerWaalsContact O-OG 3.05Å; S348-Q350 PolarHBondContact O-N 2.93Å; S348-Q355 PolarHBondContact OG-NE2 3.34Å |
| 349 | G | 59.8 | Low | 78.6 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 81% | 0.814 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 73.5 | -4.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N347 | N347-G349 PolarHBondContact O-N 3.47Š|
| 350 | Q | 61.6 | Low | 79.2 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 59% | 0.589 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -87.4 | 140.2 | 173.5 | -70.7 | -175.4 | -23.5 | 0 | 0 | 111.2 | S348 L352 Q355 | S348-Q350 PolarHBondContact O-N 2.93Å; Q350-L352 PolarHBondContact O-N 3.29Å; Q350-Q355 HydrophobicContact CB-CG 4.21Å; Q350-Q355 PolarHBondContact O-NE2 3.46Å |
| 351 | D | 78.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | trans | -55.6 | 121.7 | 173.7 | 177.4 | 14.5 | 0 | 0 | 0 | 110.3 | R353 S354 Q355 | D351-R353 PolarHBondContact O-N 2.8Å; D351-R353 VanDerWaalsContact O-N 3.1Å; D351-R353 PolarHBondContact OD1-N 3.21Å; D351-S354 WeakPolarHBondContact O-CB 3.21Å; D351-S354 PolarHBondContact O-N 3.45Å; D351-Q355 PolarHBondContact O-N 3.17Å | ||
| 352 | L | 82.1 | Confident | 80.4 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 33% | 0.33 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -52.3 | -35.5 | -179 | -131.9 | 90.5 | 0 | 0 | 0 | 111.7 | P346 Q350 Q355 Y356 | P346-L352 HydrophobicContact CB-CD1 4.11Å; Q350-L352 PolarHBondContact O-N 3.29Å; L352-Q355 WeakPolarHBondContact O-CB 3.45Å; L352-Q355 PolarHBondContact O-N 2.99Å; L352-Y356 HydrophobicContact CD2-CE2 3.82Å; L352-Y356 WeakPolarHBondContact CD2-OH 3.49Å; L352-Y356 HydrophobicContact CG-CE2 4.34Å; L352-Y356 WeakPolarHBondContact O-CD2 3.45Å; L352-Y356 PolarHBondContact O-N 2.72Å |
| 353 | R | 85.7 | Confident | 81.2 | Confident | 138 Ų | 138 | 69.8 Ų | 69.8 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.9 | -70.7 | -174.6 | -127.9 | -171.1 | 1.3 | 112.5 | W66 Y70 D351 Q355 Y356 R357 | W66-R353 HydrophobicContact CE3-CG 4.25Å; W66-R353 HydrophobicContact CH2-CG 4.34Å; W66-R353 HydrophobicContact CZ3-CG 3.95Å; Y70-R353 WeakPolarHBondContact CE2-O 3.34Å; Y70-R353 WeakPolarHBondContact OH-CB 3.39Å; D351-R353 PolarHBondContact O-N 2.8Å; D351-R353 VanDerWaalsContact O-N 3.1Å; D351-R353 PolarHBondContact OD1-N 3.21Å; R353-Q355 VanDerWaalsContact C-N 3.29Å; R353-Q355 PolarHBondContact O-N 3.01Å; R353-Y356 PolarHBondContact O-N 3.19Å; R353-R357 PolarHBondContact O-N 2.92Å |
| 354 | S | 85.1 | Confident | 82.1 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | D351 Y356 R357 D358 | D351-S354 WeakPolarHBondContact O-CB 3.21Å; D351-S354 PolarHBondContact O-N 3.45Å; S354-Y356 PolarHBondContact O-N 2.98Å; S354-R357 PolarHBondContact O-N 3.5Å; S354-D358 PolarHBondContact O-N 3.17Å |
| 355 | Q | 88 | Confident | 82.9 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.4 | -60.9 | 178.2 | 60 | 0 | 0 | 112 | L344 S348 Q350 D351 L352 R353 R357 D358 I359 | L344-Q355 HydrophobicContact CD1-CB 3.85Å; L344-Q355 HydrophobicContact CD2-CB 3.95Å; L344-Q355 HydrophobicContact CG-CB 4.48Å; S348-Q355 PolarHBondContact OG-NE2 3.34Å; Q350-Q355 HydrophobicContact CB-CG 4.21Å; Q350-Q355 PolarHBondContact O-NE2 3.46Å; D351-Q355 PolarHBondContact O-N 3.17Å; L352-Q355 WeakPolarHBondContact O-CB 3.45Å; L352-Q355 PolarHBondContact O-N 2.99Å; R353-Q355 VanDerWaalsContact C-N 3.29Å; R353-Q355 PolarHBondContact O-N 3.01Å; Q355-R357 PolarHBondContact O-N 2.68Å; Q355-D358 PolarHBondContact O-N 2.92Å; Q355-I359 WeakPolarHBondContact O-CG1 3.24Å; Q355-I359 PolarHBondContact O-N 3.32Å |
| 356 | Y | 91.2 | Very high | 84 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 11% | 0.106 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 174.1 | -65.1 | -36.8 | 0 | 0 | 0 | 112.9 | S63 W66 I67 A341 L344 L352 R353 S354 D358 I359 A360 | S63-Y356 WeakPolarHBondContact CB-OH 3.49Å; W66-Y356 HydrophobicContact CB-CD2 3.57Å; W66-Y356 HydrophobicContact CB-CE2 4.13Å; W66-Y356 HydrophobicContact CB-CG 4.04Å; W66-Y356 HydrophobicContact CD2-CD2 4.46Å; W66-Y356 AromaticContact CG-CD2 3.86Å; W66-Y356 HydrophobicContact CG-CD2 3.86Å; W66-Y356 HydrophobicContact CG-CE2 4.1Å; I67-Y356 HydrophobicContact CD1-CD1 4.01Å; I67-Y356 HydrophobicContact CG1-CD1 3.89Å; I67-Y356 HydrophobicContact CG1-CG 4.17Å; A341-Y356 HydrophobicContact CB-CE1 4.43Å; L344-Y356 HydrophobicContact CD1-CD1 3.7Å; L344-Y356 HydrophobicContact CD1-CE1 3.57Å; L352-Y356 HydrophobicContact CD2-CE2 3.82Å; L352-Y356 WeakPolarHBondContact CD2-OH 3.49Å; L352-Y356 HydrophobicContact CG-CE2 4.34Å; L352-Y356 WeakPolarHBondContact O-CD2 3.45Å; L352-Y356 PolarHBondContact O-N 2.72Å; R353-Y356 PolarHBondContact O-N 3.19Å; S354-Y356 PolarHBondContact O-N 2.98Å; Y356-D358 VanDerWaalsContact C-N 3.31Å; Y356-D358 PolarHBondContact O-N 3.38Å; Y356-I359 PolarHBondContact O-N 3.12Å; Y356-A360 WeakPolarHBondContact O-CB 3.22Å; Y356-A360 PolarHBondContact O-N 2.68Å |
| 357 | R | 92.2 | Very high | 85.2 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 175 | -171.6 | -179.2 | 174.6 | -77.1 | 1.4 | 111.7 | P31 Y70 I74 R353 S354 Q355 A360 C361 | P31-R357 PolarHBondContact O-NH2 3.46Å; Y70-R357 HydrophobicContact CD1-CB 3.78Å; Y70-R357 HydrophobicContact CD1-CG 3.74Å; Y70-R357 HydrophobicContact CD2-CB 4.09Å; Y70-R357 HydrophobicContact CE1-CB 3.91Å; Y70-R357 HydrophobicContact CE1-CG 4.09Å; Y70-R357 HydrophobicContact CE2-CB 4.2Å; Y70-R357 HydrophobicContact CG-CB 3.91Å; Y70-R357 HydrophobicContact CG-CG 4.17Å; I74-R357 HydrophobicContact CD1-CG 4.43Å; R353-R357 PolarHBondContact O-N 2.92Å; S354-R357 PolarHBondContact O-N 3.5Å; Q355-R357 PolarHBondContact O-N 2.68Å; R357-A360 PolarHBondContact O-N 2.9Å; R357-C361 WeakPolarHBondContact O-CB 3.42Å; R357-C361 PolarHBondContact O-N 3.45Å |
| 358 | D | 90.7 | Very high | 86.3 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 177.7 | -71.6 | -18.3 | 0 | 0 | 0 | 112.2 | S354 Q355 Y356 C361 K362 | S354-D358 PolarHBondContact O-N 3.17Å; Q355-D358 PolarHBondContact O-N 2.92Å; Y356-D358 VanDerWaalsContact C-N 3.31Å; Y356-D358 PolarHBondContact O-N 3.38Å; D358-C361 PolarHBondContact O-N 3.47Å; D358-K362 VanDerWaalsContact O-CB 3.32Å; D358-K362 WeakPolarHBondContact O-CB 3.29Å; D358-K362 PolarHBondContact O-N 3.09Å |
| 359 | I | 92.5 | Very high | 87.3 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 171.8 | -66.8 | 170.4 | 0 | 0 | 0 | 110.4 | I67 L337 A341 L344 Q355 Y356 C361 K362 W363 | I67-I359 HydrophobicContact CD1-CD1 4.22Å; I67-I359 HydrophobicContact CD1-CG2 4.1Å; I67-I359 HydrophobicContact CG1-CG2 4.47Å; I67-I359 HydrophobicContact CG2-CG2 4.15Å; L337-I359 HydrophobicContact CD2-CG2 4.22Å; A341-I359 HydrophobicContact CB-CD1 4.38Å; L344-I359 HydrophobicContact CD1-CD1 3.7Å; L344-I359 HydrophobicContact CD2-CD1 3.97Å; L344-I359 HydrophobicContact CG-CD1 4Å; Q355-I359 WeakPolarHBondContact O-CG1 3.24Å; Q355-I359 PolarHBondContact O-N 3.32Å; Y356-I359 PolarHBondContact O-N 3.12Å; I359-C361 VanDerWaalsContact C-N 3.31Å; I359-C361 PolarHBondContact O-N 3.32Å; I359-K362 PolarHBondContact O-N 3.07Å; I359-W363 PolarHBondContact O-N 3.09Å |
| 360 | A | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.6 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I67 I71 I74 Y356 R357 W363 L364 | I67-A360 HydrophobicContact CG2-CB 4.22Å; I71-A360 HydrophobicContact CG1-CB 3.65Å; I74-A360 HydrophobicContact CD1-CB 4.34Å; Y356-A360 WeakPolarHBondContact O-CB 3.22Å; Y356-A360 PolarHBondContact O-N 2.68Å; R357-A360 PolarHBondContact O-N 2.9Å; A360-W363 PolarHBondContact O-N 3.26Å; A360-L364 WeakPolarHBondContact O-CG 3.44Å; A360-L364 PolarHBondContact O-N 2.78Å |
| 361 | C | 95 | Very high | 90.2 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 178.8 | -180 | 0 | 0 | 0 | 0 | 112.8 | C33 I74 R357 D358 I359 W363 L364 R365 | C33-C361 WeakPolarHBondContact CA-SG 3.32Å; C33-C361 HydrophobicContact CB-CB 3.92Å; C33-C361 WeakPolarHBondContact CB-SG 3.43Å; C33-C361 WeakPolarHBondContact SG-CA 3.37Å; C33-C361 WeakPolarHBondContact SG-CB 3.48Å; C33-C361 PolarHBondContact SG-O 3.47Å; C33-C361 CovalentContact SG-SG 2.03Å; C33-C361 PolarHBondContact SG-SG 3.39Å; I74-C361 HydrophobicContact CD1-CB 4.12Å; R357-C361 WeakPolarHBondContact O-CB 3.42Å; R357-C361 PolarHBondContact O-N 3.45Å; D358-C361 PolarHBondContact O-N 3.47Å; I359-C361 VanDerWaalsContact C-N 3.31Å; I359-C361 PolarHBondContact O-N 3.32Å; C361-W363 VanDerWaalsContact C-N 3.3Å; C361-W363 PolarHBondContact O-N 3.44Å; C361-L364 PolarHBondContact O-N 2.76Å; C361-R365 WeakPolarHBondContact O-CG 3.38Å; C361-R365 PolarHBondContact O-N 3.08Å |
| 362 | K | 94.1 | Very high | 90.9 | Very high | 138 Ų | 138 | 60.4 Ų | 60.4 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.7 | -44.2 | 175.3 | -176.7 | -179.3 | 177.8 | -175.8 | 0 | 111 | D358 I359 R365 L366 | D358-K362 VanDerWaalsContact O-CB 3.32Å; D358-K362 WeakPolarHBondContact O-CB 3.29Å; D358-K362 PolarHBondContact O-N 3.09Å; I359-K362 PolarHBondContact O-N 3.07Å; K362-R365 PolarHBondContact O-N 3.35Å; K362-L366 HydrophobicContact CG-CD1 4.04Å; K362-L366 WeakPolarHBondContact O-CG 3.17Å; K362-L366 PolarHBondContact O-N 3.06Å; K362-L366 VanDerWaalsContact O-N 3.14Å |
| 363 | W | 93.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 177.3 | -176.7 | 89.9 | 0 | 0 | 0 | 112.1 | I71 F329 L337 I359 A360 C361 R365 L366 S367 R370 W374 | I71-W363 HydrophobicContact CD1-CD2 4.09Å; I71-W363 HydrophobicContact CD1-CE3 3.66Å; I71-W363 HydrophobicContact CD1-CZ3 4.16Å; I71-W363 HydrophobicContact CG1-CE3 4.18Å; I71-W363 HydrophobicContact CG2-CE3 4.27Å; I71-W363 HydrophobicContact CG2-CZ3 4.01Å; F329-W363 AromaticContact CD1-CH2 3.95Å; F329-W363 HydrophobicContact CD1-CH2 3.95Å; F329-W363 AromaticContact CD1-CZ2 3.63Å; F329-W363 HydrophobicContact CD1-CZ2 3.63Å; F329-W363 HydrophobicContact CE1-CD2 4.39Å; F329-W363 AromaticContact CE1-CE2 3.97Å; F329-W363 HydrophobicContact CE1-CE3 4.32Å; F329-W363 AromaticContact CE1-CH2 3.47Å; F329-W363 HydrophobicContact CE1-CH2 3.47Å; F329-W363 VanDerWaalsContact CE1-CH2 3.47Å; F329-W363 AromaticContact CE1-CZ2 3.52Å; F329-W363 HydrophobicContact CE1-CZ2 3.52Å; F329-W363 AromaticContact CE1-CZ3 3.88Å; F329-W363 HydrophobicContact CE1-CZ3 3.88Å; F329-W363 HydrophobicContact CZ-CH2 4.44Å; L337-W363 HydrophobicContact CD2-CB 3.69Å; L337-W363 VanDerWaalsContact CD2-CD1 3.47Å; L337-W363 HydrophobicContact CD2-CD2 4.37Å; L337-W363 HydrophobicContact CD2-CG 3.56Å; L337-W363 HydrophobicContact CG-CG 4.41Å; I359-W363 PolarHBondContact O-N 3.09Å; A360-W363 PolarHBondContact O-N 3.26Å; C361-W363 VanDerWaalsContact C-N 3.3Å; C361-W363 PolarHBondContact O-N 3.44Å; W363-R365 VanDerWaalsContact C-N 3.28Å; W363-R365 PolarHBondContact O-N 3.09Å; W363-L366 PolarHBondContact O-N 3.28Å; W363-S367 PolarHBondContact O-N 3.38Å; W363-R370 HydrophobicContact CH2-CB 4.34Å; W363-R370 HydrophobicContact CH2-CG 4.11Å; W363-R370 HydrophobicContact CZ2-CG 4.47Å; W363-W374 AromaticContact CH2-CH2 3.62Å; W363-W374 HydrophobicContact CH2-CH2 3.62Å; W363-W374 HydrophobicContact CH2-CZ2 4.45Å; W363-W374 HydrophobicContact CH2-CZ3 4.16Å; W363-W374 HydrophobicContact CZ3-CH2 4.12Å; W363-W374 HydrophobicContact CZ3-CZ3 4.21Å |
| 364 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.3 | -43.1 | 176.2 | -79.6 | 171 | 0 | 0 | 0 | 112 | L34 I71 I74 L75 A360 C361 L366 S367 W371 | L34-L364 HydrophobicContact CD2-CB 4.5Å; I71-L364 HydrophobicContact CG2-CD2 3.9Å; I71-L364 HydrophobicContact CG2-CG 4.24Å; I74-L364 HydrophobicContact CB-CD1 3.72Å; I74-L364 HydrophobicContact CD1-CD1 3.97Å; I74-L364 HydrophobicContact CG1-CD1 4.47Å; I74-L364 HydrophobicContact CG2-CD1 3.46Å; I74-L364 VanDerWaalsContact CG2-CD1 3.46Å; L75-L364 HydrophobicContact CD1-CD2 4.06Å; L75-L364 HydrophobicContact CD2-CD2 3.93Å; L75-L364 HydrophobicContact CG-CD2 3.96Å; A360-L364 WeakPolarHBondContact O-CG 3.44Å; A360-L364 PolarHBondContact O-N 2.78Å; C361-L364 PolarHBondContact O-N 2.76Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.84Å; L364-S367 PolarHBondContact O-N 3.1Å; L364-W371 HydrophobicContact CD2-CB 4.23Å; L364-W371 VanDerWaalsContact CD2-CD1 3.42Å; L364-W371 HydrophobicContact CD2-CD2 4.3Å; L364-W371 HydrophobicContact CD2-CG 3.73Å; L364-W371 PolarHBondContact O-NE1 2.89Å |
| 365 | R | 92.6 | Very high | 92.1 | Very high | 159 Ų | 159 | 51 Ų | 51 | 60% | 0.6 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67 | -31.8 | 177.7 | -71 | 178.2 | 177.8 | 168.5 | 1 | 113.5 | S32 C33 C361 K362 W363 | S32-R365 PolarHBondContact O-NH2 3.36Å; C33-R365 VanDerWaalsContact O-CZ 3.31Å; C33-R365 PolarHBondContact O-NE 3.05Å; C33-R365 PolarHBondContact O-NH2 3.32Å; C361-R365 WeakPolarHBondContact O-CG 3.38Å; C361-R365 PolarHBondContact O-N 3.08Å; K362-R365 PolarHBondContact O-N 3.35Å; W363-R365 VanDerWaalsContact C-N 3.28Å; W363-R365 PolarHBondContact O-N 3.09Å |
| 366 | L | 92.1 | Very high | 92.1 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 68% | 0.675 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -85.7 | -18.2 | -178.9 | -67.6 | 173.3 | 0 | 0 | 0 | 113.3 | K362 W363 L364 | K362-L366 HydrophobicContact CG-CD1 4.04Å; K362-L366 WeakPolarHBondContact O-CG 3.17Å; K362-L366 PolarHBondContact O-N 3.06Å; K362-L366 VanDerWaalsContact O-N 3.14Å; W363-L366 PolarHBondContact O-N 3.28Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.84Å |
| 367 | S | 91.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | trans | -125.5 | 48.1 | -173.2 | -64 | 0 | 0 | 0 | 0 | 114.9 | W363 L364 T369 R370 W371 | W363-S367 PolarHBondContact O-N 3.38Å; L364-S367 PolarHBondContact O-N 3.1Å; S367-T369 VanDerWaalsContact C-N 3.27Å; S367-T369 PolarHBondContact O-N 3.45Å; S367-R370 PolarHBondContact O-N 3.03Å; S367-R370 VanDerWaalsContact O-N 3.14Å; S367-W371 PolarHBondContact O-NE1 3.32Å | ||
| 368 | P | 90.5 | Very high | 91.5 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60 | -34.6 | -179.2 | 25.9 | -34.2 | 0 | 0 | 0 | 113.7 | R370 W371 V372 | P368-R370 PolarHBondContact O-N 3.29Å; P368-R370 VanDerWaalsContact O-N 3.13Å; P368-W371 HydrophobicContact CB-CZ2 3.97Å; P368-V372 VanDerWaalsContact O-CB 3.27Å; P368-V372 WeakPolarHBondContact O-CB 3.38Å; P368-V372 WeakPolarHBondContact O-CG2 3.49Å; P368-V372 PolarHBondContact O-N 2.86Å |
| 369 | T | 87.7 | Confident | 91.2 | Very high | 128 Ų | 128 | 56.9 Ų | 56.9 | 79% | 0.785 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.5 | -26.7 | 179.2 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | S367 | S367-T369 VanDerWaalsContact C-N 3.27Å; S367-T369 PolarHBondContact O-N 3.45Å |
| 370 | R | 90.2 | Very high | 90.8 | Very high | 96 Ų | 96 | 63.3 Ų | 63.3 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -81.4 | -62.4 | -179 | -170.2 | 69.2 | 67.5 | -161.9 | -0.2 | 111.5 | E333 W363 S367 P368 V372 S373 W374 | E333-R370 IonicContact OE1-CZ 2.94Å; E333-R370 IonicContact OE1-NE 3.71Å; E333-R370 PolarHBondContact OE1-NE 2.87Å; E333-R370 IonicContact OE1-NH2 3.21Å; E333-R370 PolarHBondContact OE1-NH2 3.42Å; E333-R370 IonicContact OE2-CZ 2.72Å; E333-R370 IonicContact OE2-NE 2.73Å; E333-R370 PolarHBondContact OE2-NE 3.38Å; E333-R370 IonicContact OE2-NH2 3.75Å; W363-R370 HydrophobicContact CH2-CB 4.34Å; W363-R370 HydrophobicContact CH2-CG 4.11Å; W363-R370 HydrophobicContact CZ2-CG 4.47Å; S367-R370 PolarHBondContact O-N 3.03Å; S367-R370 VanDerWaalsContact O-N 3.14Å; P368-R370 PolarHBondContact O-N 3.29Å; P368-R370 VanDerWaalsContact O-N 3.13Å; R370-V372 PolarHBondContact O-N 3.4Å; R370-S373 PolarHBondContact O-N 3.3Å; R370-S373 PolarHBondContact O-OG 3.48Å; R370-W374 HydrophobicContact CG-CH2 3.99Å; R370-W374 HydrophobicContact CG-CZ2 3.36Å |
| 371 | W | 93 | Very high | 90.4 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.8 | -19.2 | -170.5 | 60.6 | -104.1 | 0 | 0 | 0 | 114.6 | L34 E38 L75 L364 S367 P368 S373 W374 T375 | L34-W371 HydrophobicContact CD2-CH2 4.46Å; L34-W371 HydrophobicContact CD2-CZ2 4.21Å; E38-W371 HydrophobicContact CG-CH2 4.32Å; L75-W371 HydrophobicContact CD1-CB 3.91Å; L75-W371 HydrophobicContact CD2-CB 4.35Å; L75-W371 HydrophobicContact CD2-CD2 3.95Å; L75-W371 HydrophobicContact CD2-CE3 3.71Å; L75-W371 HydrophobicContact CD2-CG 4.24Å; L75-W371 HydrophobicContact CD2-CZ3 4.39Å; L364-W371 HydrophobicContact CD2-CB 4.23Å; L364-W371 VanDerWaalsContact CD2-CD1 3.42Å; L364-W371 HydrophobicContact CD2-CD2 4.3Å; L364-W371 HydrophobicContact CD2-CG 3.73Å; L364-W371 PolarHBondContact O-NE1 2.89Å; S367-W371 PolarHBondContact O-NE1 3.32Å; P368-W371 HydrophobicContact CB-CZ2 3.97Å; W371-S373 PolarHBondContact O-N 3.43Å; W371-W374 HydrophobicContact CB-CD2 4.11Å; W371-W374 HydrophobicContact CB-CE3 3.57Å; W371-W374 HydrophobicContact CB-CZ3 3.88Å; W371-W374 WeakPolarHBondContact O-CB 3.42Å; W371-W374 PolarHBondContact O-N 2.76Å; W371-W374 VanDerWaalsContact O-N 3.07Å; W371-T375 PolarHBondContact O-N 2.94Å; W371-T375 PolarHBondContact O-OG1 3.1Å |
| 372 | V | 91.8 | Very high | 89.9 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 172.6 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | P368 R370 W374 | P368-V372 VanDerWaalsContact O-CB 3.27Å; P368-V372 WeakPolarHBondContact O-CB 3.38Å; P368-V372 WeakPolarHBondContact O-CG2 3.49Å; P368-V372 PolarHBondContact O-N 2.86Å; R370-V372 PolarHBondContact O-N 3.4Å; V372-W374 VanDerWaalsContact C-N 3.32Å; V372-W374 PolarHBondContact O-N 2.7Å |
| 373 | S | 91.2 | Very high | 89.7 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.7 | -28.2 | 177 | 76.4 | 0 | 0 | 0 | 0 | 113.3 | R370 W371 K376 | R370-S373 PolarHBondContact O-N 3.3Å; R370-S373 PolarHBondContact O-OG 3.48Å; W371-S373 PolarHBondContact O-N 3.43Å; S373-K376 WeakPolarHBondContact O-CG 3.03Å |
| 374 | W | 95 | Very high | 89.6 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.5 | -35.7 | 179.9 | -53.4 | -19.6 | 0 | 0 | 0 | 111.8 | I71 L75 L323 R326 M327 H328 F329 W363 R370 W371 V372 | I71-W374 HydrophobicContact CG2-CZ3 4.3Å; L75-W374 HydrophobicContact CD1-CE3 4Å; L75-W374 HydrophobicContact CD1-CZ3 4.36Å; L323-W374 HydrophobicContact CD1-CB 3.96Å; R326-W374 HydrophobicContact CB-CB 4.05Å; R326-W374 HydrophobicContact CB-CG 4.24Å; R326-W374 WeakPolarHBondContact CD-O 3.2Å; R326-W374 PolarHBondContact NH1-O 2.98Å; R326-W374 PolarHBondContact O-NE1 3.45Å; R326-W374 VanDerWaalsContact O-NE1 3.1Å; M327-W374 HydrophobicContact CB-CD2 4.33Å; M327-W374 HydrophobicContact CB-CE3 4.22Å; M327-W374 HydrophobicContact CB-CZ3 4.45Å; M327-W374 HydrophobicContact CE-CZ3 4.25Å; M327-W374 HydrophobicContact CG-CD2 4.45Å; M327-W374 HydrophobicContact CG-CE3 3.96Å; M327-W374 HydrophobicContact CG-CH2 3.97Å; M327-W374 HydrophobicContact CG-CZ2 4.46Å; M327-W374 HydrophobicContact CG-CZ3 3.72Å; M327-W374 HydrophobicContact SD-CZ3 4.49Å; H328-W374 VanDerWaalsContact N-CZ2 3.34Å; H328-W374 WeakPolarHBondContact O-CZ2 3.01Å; F329-W374 HydrophobicContact CD1-CH2 4.45Å; F329-W374 AromaticContact CE1-CH2 3.99Å; F329-W374 HydrophobicContact CE1-CH2 3.99Å; F329-W374 HydrophobicContact CE2-CH2 4.42Å; F329-W374 AromaticContact CZ-CH2 3.98Å; F329-W374 HydrophobicContact CZ-CH2 3.98Å; F329-W374 HydrophobicContact CZ-CZ3 4.48Å; W363-W374 AromaticContact CH2-CH2 3.62Å; W363-W374 HydrophobicContact CH2-CH2 3.62Å; W363-W374 HydrophobicContact CH2-CZ2 4.45Å; W363-W374 HydrophobicContact CH2-CZ3 4.16Å; W363-W374 HydrophobicContact CZ3-CH2 4.12Å; W363-W374 HydrophobicContact CZ3-CZ3 4.21Å; R370-W374 HydrophobicContact CG-CH2 3.99Å; R370-W374 HydrophobicContact CG-CZ2 3.36Å; W371-W374 HydrophobicContact CB-CD2 4.11Å; W371-W374 HydrophobicContact CB-CE3 3.57Å; W371-W374 HydrophobicContact CB-CZ3 3.88Å; W371-W374 WeakPolarHBondContact O-CB 3.42Å; W371-W374 PolarHBondContact O-N 2.76Å; W371-W374 VanDerWaalsContact O-N 3.07Å; V372-W374 VanDerWaalsContact C-N 3.32Å; V372-W374 PolarHBondContact O-N 2.7Å |
| 375 | T | 93.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 21.2 | -174.5 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | L75 R79 L80 L323 W371 G377 W378 | L75-T375 HydrophobicContact CD2-CG2 4.46Å; R79-T375 HydrophobicContact CG-CG2 3.89Å; L80-T375 HydrophobicContact CD2-CG2 4.09Å; L80-T375 HydrophobicContact CG-CG2 4.49Å; L323-T375 HydrophobicContact CD1-CG2 3.98Å; W371-T375 PolarHBondContact O-N 2.94Å; W371-T375 PolarHBondContact O-OG1 3.1Å; T375-G377 PolarHBondContact O-N 3.29Å; T375-W378 WeakPolarHBondContact O-CB 3.46Å; T375-W378 PolarHBondContact O-N 3.18Å; T375-W378 VanDerWaalsContact O-N 3.17Å |
| 376 | K | 87.8 | Confident | 89.7 | Confident | 133 Ų | 133 | 59.1 Ų | 59.1 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 130.1 | 179.3 | -71.5 | 178.2 | -178.3 | -177.2 | 0 | 111.5 | Q322 S373 | Q322-K376 PolarHBondContact OE1-O 2.96Å; S373-K376 WeakPolarHBondContact O-CG 3.03Å |
| 377 | G | 83.8 | Confident | 89.8 | Confident | 23 Ų | 23 | 53 Ų | 53 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -0.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T375 N379 K380 | T375-G377 PolarHBondContact O-N 3.29Å; G377-N379 PolarHBondContact O-N 3.4Å; G377-N379 VanDerWaalsContact O-N 3.13Å; G377-K380 WeakPolarHBondContact O-CB 3.43Å; G377-K380 PolarHBondContact O-N 2.86Å |
| 378 | W | 86.4 | Confident | 90 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -33 | 179.6 | 69.7 | -81.8 | 0 | 0 | 0 | 114.8 | R39 R79 L80 T375 | R39-W378 WeakPolarHBondContact O-CZ3 3.38Å; R79-W378 HydrophobicContact CG-CD2 4.43Å; R79-W378 HydrophobicContact CG-CG 4.32Å; R79-W378 VanDerWaalsContact NE-CE2 3.34Å; L80-W378 HydrophobicContact CD2-CB 3.48Å; L80-W378 VanDerWaalsContact CD2-CB 3.48Å; T375-W378 WeakPolarHBondContact O-CB 3.46Å; T375-W378 PolarHBondContact O-N 3.18Å; T375-W378 VanDerWaalsContact O-N 3.17Å |
| 379 | N | 83.9 | Confident | 90.2 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 6 | -179.3 | 65.3 | -24.7 | 0 | 0 | 0 | 113.5 | W42 G377 | W42-N379 WeakPolarHBondContact CH2-O 3.28Å; G377-N379 PolarHBondContact O-N 3.4Å; G377-N379 VanDerWaalsContact O-N 3.13Å |
| 380 | K | 84.5 | Confident | 90.4 | Very high | 154 Ų | 154 | 43.5 Ų | 43.5 | 67% | 0.67 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -85.1 | 133.6 | 174.2 | -67.1 | -171.4 | 175.5 | -169.7 | 0 | 109.2 | G377 | G377-K380 WeakPolarHBondContact O-CB 3.43Å; G377-K380 PolarHBondContact O-N 2.86Å |
| 381 | K | 86.5 | Confident | 90.2 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 27% | 0.27 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -71.8 | 148.6 | 171.8 | -67.9 | -176.4 | 169.4 | -160.3 | 0 | 110.4 | W42 F419 S420 T422 E423 Y424 A425 | W42-K381 HydrophobicContact CH2-CG 3.69Å; W42-K381 HydrophobicContact CZ2-CD 4.45Å; W42-K381 HydrophobicContact CZ2-CG 3.7Å; K381-F419 PolarHBondContact NZ-O 2.8Å; K381-S420 PolarHBondContact NZ-O 3.14Å; K381-T422 WeakPolarHBondContact CE-O 3.33Å; K381-T422 PolarHBondContact NZ-O 3.46Å; K381-E423 CarbonylContact C-O 3.51Å; K381-E423 WeakPolarHBondContact CA-O 2.92Å; K381-E423 WeakPolarHBondContact CB-O 3.49Å; K381-Y424 WeakPolarHBondContact CD-O 3.17Å; K381-A425 HydrophobicContact CB-CB 3.95Å; K381-A425 HydrophobicContact CD-CB 4Å |
| 382 | L | 83.8 | Confident | 89.4 | Confident | 75 Ų | 75 | 41.8 Ų | 41.8 | 39% | 0.393 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 119.3 | 170.7 | -179.8 | 68.3 | 0 | 0 | 0 | 109 | L384 E423 Y424 A425 I770 | L382-L384 HydrophobicContact CD2-CD2 4.23Å; L382-L384 HydrophobicContact CG-CD2 4.4Å; L382-E423 PolarHBondContact N-O 2.76Å; L382-Y424 HydrophobicContact CB-CD1 4.02Å; L382-Y424 HydrophobicContact CB-CE1 4.47Å; L382-Y424 HydrophobicContact CD2-CD1 4.02Å; L382-Y424 HydrophobicContact CD2-CE1 3.87Å; L382-Y424 HydrophobicContact CG-CD1 4.43Å; L382-Y424 WeakPolarHBondContact O-CA 3.41Å; L382-A425 PolarHBondContact O-N 3.14Å; L382-I770 HydrophobicContact CD2-CG2 4.17Å |
| 383 | N | 89.6 | Confident | 88.3 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 124.4 | 177.8 | -69.7 | -8.9 | 0 | 0 | 0 | 110.6 | A425 T427 | N383-A425 CarbonylContact C-O 3.59Å; N383-A425 WeakPolarHBondContact CA-O 3.27Å; N383-T427 HydrophobicContact CB-CG2 3.65Å; N383-T427 VanDerWaalsContact CG-CG2 3.48Å |
| 384 | L | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.5 | 172.6 | -57.4 | 178.9 | 0 | 0 | 0 | 108.1 | L382 Y424 A425 L426 T427 K455 I457 L759 I770 | L382-L384 HydrophobicContact CD2-CD2 4.23Å; L382-L384 HydrophobicContact CG-CD2 4.4Å; L384-Y424 HydrophobicContact CD1-CD1 3.98Å; L384-Y424 HydrophobicContact CD1-CG 4.14Å; L384-Y424 HydrophobicContact CG-CD1 4.34Å; L384-A425 PolarHBondContact N-O 3.36Å; L384-L426 HydrophobicContact CB-CD2 3.94Å; L384-L426 CarbonylContact O-C 3.12Å; L384-L426 VanDerWaalsContact O-CA 3.31Å; L384-L426 WeakPolarHBondContact O-CA 3.32Å; L384-T427 PolarHBondContact O-N 3.3Å; L384-T427 PolarHBondContact O-OG1 3.06Å; L384-K455 HydrophobicContact CD2-CB 4.1Å; L384-K455 HydrophobicContact CD2-CD 4.21Å; L384-I457 HydrophobicContact CB-CG2 3.96Å; L384-I457 HydrophobicContact CD1-CG2 4.44Å; L384-L759 HydrophobicContact CD1-CD2 3.77Å; L384-I770 HydrophobicContact CD1-CD1 3.66Å; L384-I770 HydrophobicContact CD1-CG1 4.35Å; L384-I770 HydrophobicContact CD2-CD1 4.12Å; L384-I770 HydrophobicContact CD2-CG2 3.97Å |
| 385 | T | 93.4 | Very high | 84.8 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.9 | -166.6 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | T427 D429 K455 I456 I457 | T385-T427 CarbonylContact C-O 3.42Å; T385-T427 WeakPolarHBondContact CA-O 3.45Å; T385-T427 PolarHBondContact OG1-OG1 3.07Å; T385-D429 HydrophobicContact CG2-CB 3.64Å; T385-K455 PolarHBondContact N-O 2.96Å; T385-I456 CarbonylContact O-C 3.59Å; T385-I456 VanDerWaalsContact O-CA 3.28Å; T385-I456 WeakPolarHBondContact O-CA 3.45Å; T385-I457 VanDerWaalsContact O-CG1 3.27Å; T385-I457 WeakPolarHBondContact O-CG1 3.44Å; T385-I457 PolarHBondContact O-N 3.03Å |
| 386 | V | 95.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.5 | 160.9 | 178.9 | 0 | 0 | 0 | 0 | 106.5 | I409 L426 T427 L428 D429 I457 I460 L755 | V386-I409 HydrophobicContact CB-CD1 4.44Å; V386-I409 HydrophobicContact CG2-CD1 4.11Å; V386-L426 HydrophobicContact CG2-CD1 4.48Å; V386-T427 PolarHBondContact N-O 3.39Å; V386-L428 HydrophobicContact CB-CD1 4.32Å; V386-L428 HydrophobicContact CG1-CD1 4.2Å; V386-L428 WeakPolarHBondContact O-CA 3.44Å; V386-D429 PolarHBondContact O-N 3.39Å; V386-I457 HydrophobicContact CG2-CD1 3.63Å; V386-I457 HydrophobicContact CG2-CG1 3.83Å; V386-I460 HydrophobicContact CG1-CD1 3.76Å; V386-I460 HydrophobicContact CG1-CG1 3.81Å; V386-L755 HydrophobicContact CG1-CD1 4.09Å |
| 387 | A | 94.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 133.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L447 I456 G458 V459 I460 | A387-L447 HydrophobicContact CB-CD1 3.87Å; A387-L447 HydrophobicContact CB-CD2 4.07Å; A387-I456 HydrophobicContact CB-CG2 4.32Å; A387-G458 PolarHBondContact N-O 2.62Å; A387-V459 HydrophobicContact CB-CG1 4.35Å; A387-V459 HydrophobicContact CB-CG2 4.26Å; A387-V459 CarbonylContact O-C 3.54Å; A387-V459 WeakPolarHBondContact O-CA 3.29Å; A387-I460 PolarHBondContact O-N 2.85Å |
| 388 | G | 95.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 107 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F390 D429 R431 I460 | G388-F390 VanDerWaalsContact CA-CE2 3.45Å; G388-F390 WeakPolarHBondContact O-CD2 3.41Å; G388-D429 PolarHBondContact N-O 3.22Å; G388-R431 PolarHBondContact O-N 3.03Å; G388-I460 CarbonylContact C-O 3.3Å; G388-I460 WeakPolarHBondContact CA-O 3.35Å |
| 389 | L | 94.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.4 | 176 | -51.1 | -179.8 | 0 | 0 | 0 | 108.3 | R431 L433 Y444 L447 V459 I460 A461 A462 L463 V471 | L389-R431 HydrophobicContact CD2-CB 3.95Å; L389-R431 HydrophobicContact CD2-CG 3.85Å; L389-L433 HydrophobicContact CB-CD1 4Å; L389-L433 HydrophobicContact CD2-CD1 3.88Å; L389-L433 HydrophobicContact CG-CD1 4.45Å; L389-Y444 HydrophobicContact CD1-CD2 4.42Å; L389-L447 HydrophobicContact CD2-CD1 3.54Å; L389-V459 HydrophobicContact CD1-CG1 3.85Å; L389-V459 HydrophobicContact CG-CG1 3.89Å; L389-I460 PolarHBondContact N-O 2.87Å; L389-A461 HydrophobicContact CB-CB 4.46Å; L389-A461 HydrophobicContact CD1-CB 4.45Å; L389-A462 PolarHBondContact O-N 3.07Å; L389-L463 HydrophobicContact CB-CD1 3.9Å; L389-L463 HydrophobicContact CB-CG 4.26Å; L389-L463 HydrophobicContact CD1-CD1 4.32Å; L389-V471 HydrophobicContact CD1-CG1 4.14Å |
| 390 | F | 92.6 | Very high | 80.6 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.2 | -176.9 | -57.6 | -87.4 | 0 | 0 | 0 | 110.5 | G388 F392 L401 D402 A405 V430 R431 L433 A462 T748 | G388-F390 VanDerWaalsContact CA-CE2 3.45Å; G388-F390 WeakPolarHBondContact O-CD2 3.41Å; F390-F392 HydrophobicContact CB-CD2 4.04Å; F390-F392 HydrophobicContact CB-CE2 3.59Å; F390-F392 HydrophobicContact CB-CZ 4.31Å; F390-F392 HydrophobicContact CG-CE2 4.48Å; F390-F392 WeakPolarHBondContact O-CD2 3.33Å; F390-F392 PolarHBondContact O-N 3.1Å; F390-L401 HydrophobicContact CD1-CB 3.74Å; F390-L401 HydrophobicContact CE1-CB 3.86Å; F390-D402 HydrophobicContact CD2-CB 4.07Å; F390-D402 HydrophobicContact CE2-CB 4.12Å; F390-D402 HydrophobicContact CG-CB 4.33Å; F390-D402 HydrophobicContact CZ-CB 4.49Å; F390-A405 HydrophobicContact CZ-CB 3.81Å; F390-V430 HydrophobicContact CD2-CG1 3.89Å; F390-V430 HydrophobicContact CE2-CG1 4.27Å; F390-V430 HydrophobicContact CE2-CG2 4.45Å; F390-R431 PolarHBondContact N-O 3.45Å; F390-L433 PolarHBondContact O-N 3.42Å; F390-A462 HydrophobicContact CD1-CB 3.6Å; F390-A462 HydrophobicContact CE1-CB 4.03Å; F390-T748 HydrophobicContact CE1-CG2 4.17Å |
| 391 | A | 85.2 | Confident | 80.6 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 109 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | L433 A462 L463 | A391-L433 CarbonylContact C-O 3.52Å; A391-L433 WeakPolarHBondContact CA-O 3.19Å; A391-A462 PolarHBondContact N-O 3.07Å; A391-L463 HydrophobicContact CB-CD2 4.03Å |
| 392 | F | 76.1 | Confident | 80.8 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 25% | 0.25 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -19 | 174.7 | -73.3 | -95.9 | 0 | 0 | 0 | 112.8 | F390 D402 V430 N432 L433 | F390-F392 HydrophobicContact CB-CD2 4.04Å; F390-F392 HydrophobicContact CB-CE2 3.59Å; F390-F392 HydrophobicContact CB-CZ 4.31Å; F390-F392 HydrophobicContact CG-CE2 4.48Å; F390-F392 WeakPolarHBondContact O-CD2 3.33Å; F390-F392 PolarHBondContact O-N 3.1Å; F392-D402 HydrophobicContact CZ-CB 3.77Å; F392-D402 WeakPolarHBondContact CZ-OD2 3.41Å; F392-V430 HydrophobicContact CE2-CG1 4.07Å; F392-V430 HydrophobicContact CZ-CG1 4.06Å; F392-N432 VanDerWaalsContact CD2-CA 3.5Å; F392-N432 HydrophobicContact CD2-CB 3.81Å; F392-N432 HydrophobicContact CE2-CB 4.05Å; F392-N432 WeakPolarHBondContact CE2-OD1 3.38Å; F392-N432 HydrophobicContact CG-CB 4.4Å; F392-L433 PolarHBondContact N-O 3.47Å |
| 393 | Y | 68.2 | Low | 81 | Confident | 143 Ų | 143 | 49.2 Ų | 49.2 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149.1 | -174.3 | -48.3 | -75.6 | 0 | 0 | 0 | 110.2 | L433 T434 | Y393-L433 PolarHBondContact N-O 3.22Å; Y393-T434 VanDerWaalsContact O-CA 3.28Å; Y393-T434 WeakPolarHBondContact O-CA 3.22Å |
| 394 | G | 59.7 | Low | 80.8 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 61% | 0.608 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 115.4 | -163.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W396 | G394-W396 VanDerWaalsContact C-N 3.34Å; G394-W396 PolarHBondContact O-N 2.84Å |
| 395 | K | 54.2 | Low | 80.8 | Confident | 207 Ų | 207 | 45.9 Ų | 45.9 | 90% | 0.9 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -69.6 | -28.6 | -172.8 | -72.1 | -173.6 | 175.4 | -173.7 | 0 | 114.1 | ||
| 396 | W | 61.5 | Low | 80.8 | Confident | 69 Ų | 69 | 51 Ų | 51 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | trans | -131.8 | 112.9 | -177.8 | -168.1 | 85.3 | 0 | 0 | 0 | 108.5 | G394 V398 T486 Y744 | G394-W396 VanDerWaalsContact C-N 3.34Å; G394-W396 PolarHBondContact O-N 2.84Å; W396-V398 HydrophobicContact CD2-CG2 4.39Å; W396-V398 HydrophobicContact CE3-CG2 4.3Å; W396-V398 HydrophobicContact CH2-CB 4.46Å; W396-V398 HydrophobicContact CH2-CG2 3.28Å; W396-V398 HydrophobicContact CZ2-CG2 3.4Å; W396-V398 HydrophobicContact CZ3-CG2 3.78Å; W396-T486 HydrophobicContact CH2-CG2 3.54Å; W396-T486 HydrophobicContact CZ3-CG2 4Å; W396-Y744 HydrophobicContact CH2-CE2 4.39Å; W396-Y744 HydrophobicContact CZ2-CD2 4.46Å; W396-Y744 AromaticContact CZ2-CE2 3.85Å; W396-Y744 HydrophobicContact CZ2-CE2 3.85Å | ||
| 397 | V | 66.4 | Low | 80.3 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 39% | 0.394 | 29% | 0.287 | S | S | . | . | trans | -133.9 | 122 | -178 | 174.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 398 | V | 67.7 | Low | 80.1 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | trans | -104.5 | 108.3 | 168.9 | -174.3 | 0 | 0 | 0 | 0 | 107 | W396 L401 Y744 | W396-V398 HydrophobicContact CD2-CG2 4.39Å; W396-V398 HydrophobicContact CE3-CG2 4.3Å; W396-V398 HydrophobicContact CH2-CB 4.46Å; W396-V398 HydrophobicContact CH2-CG2 3.28Å; W396-V398 HydrophobicContact CZ2-CG2 3.4Å; W396-V398 HydrophobicContact CZ3-CG2 3.78Å; V398-L401 HydrophobicContact CB-CD1 3.72Å; V398-L401 HydrophobicContact CB-CG 4.02Å; V398-L401 HydrophobicContact CG1-CD1 3.76Å; V398-L401 HydrophobicContact CG1-CD2 3.84Å; V398-L401 HydrophobicContact CG1-CG 3.7Å; V398-Y744 HydrophobicContact CG1-CD2 4.25Å; V398-Y744 HydrophobicContact CG2-CD2 4.01Å; V398-Y744 HydrophobicContact CG2-CE2 4.43Å | ||
| 399 | S | 69.9 | Low | 80.1 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 150.8 | -175.8 | 50.2 | 0 | 0 | 0 | 0 | 112 | L401 | S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 2.84Å |
| 400 | N | 80.6 | Confident | 80 | Confident | 104 Ų | 104 | 61 Ų | 61 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 7.5 | 171.2 | -53.6 | -26.1 | 0 | 0 | 0 | 117.2 | D402 H403 V404 | N400-D402 WeakPolarHBondContact CA-OD1 3.49Å; N400-D402 PolarHBondContact O-N 3.48Å; N400-H403 PolarHBondContact O-N 2.96Å; N400-V404 WeakPolarHBondContact O-CG2 3.4Å; N400-V404 PolarHBondContact O-N 3.14Å |
| 401 | L | 85.8 | Confident | 79.9 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -31.2 | 176.9 | -65.2 | -170.9 | 0 | 0 | 0 | 112.9 | F390 V398 S399 V404 A405 A462 T486 A745 T748 | F390-L401 HydrophobicContact CD1-CB 3.74Å; F390-L401 HydrophobicContact CE1-CB 3.86Å; V398-L401 HydrophobicContact CB-CD1 3.72Å; V398-L401 HydrophobicContact CB-CG 4.02Å; V398-L401 HydrophobicContact CG1-CD1 3.76Å; V398-L401 HydrophobicContact CG1-CD2 3.84Å; V398-L401 HydrophobicContact CG1-CG 3.7Å; S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 2.84Å; L401-V404 PolarHBondContact O-N 3.13Å; L401-A405 PolarHBondContact O-N 2.89Å; L401-A462 HydrophobicContact CD1-CB 3.78Å; L401-T486 HydrophobicContact CD1-CG2 4.12Å; L401-A745 HydrophobicContact CD2-CB 4.48Å; L401-T748 HydrophobicContact CB-CG2 4.33Å; L401-T748 WeakPolarHBondContact O-CG2 3.29Å |
| 402 | D | 90.6 | Very high | 80.1 | Confident | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 172.2 | 64 | -36.6 | 0 | 0 | 0 | 111.9 | F390 F392 N400 V404 A405 E406 V430 | F390-D402 HydrophobicContact CD2-CB 4.07Å; F390-D402 HydrophobicContact CE2-CB 4.12Å; F390-D402 HydrophobicContact CG-CB 4.33Å; F390-D402 HydrophobicContact CZ-CB 4.49Å; F392-D402 HydrophobicContact CZ-CB 3.77Å; F392-D402 WeakPolarHBondContact CZ-OD2 3.41Å; N400-D402 WeakPolarHBondContact CA-OD1 3.49Å; N400-D402 PolarHBondContact O-N 3.48Å; D402-V404 VanDerWaalsContact C-N 3.33Å; D402-V404 PolarHBondContact O-N 3.12Å; D402-A405 PolarHBondContact O-N 2.97Å; D402-E406 PolarHBondContact O-N 3.28Å; D402-V430 HydrophobicContact CB-CG1 3.91Å; D402-V430 HydrophobicContact CB-CG2 4.4Å |
| 403 | H | 87 | Confident | 81 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 176.8 | -75.2 | 68 | 0 | 0 | 0 | 111.4 | N400 E406 Q407 | N400-H403 PolarHBondContact O-N 2.96Å; H403-E406 PolarHBondContact O-N 2.96Å; H403-Q407 VanDerWaalsContact O-CG 3.3Å; H403-Q407 WeakPolarHBondContact O-CG 3.36Å; H403-Q407 PolarHBondContact O-N 3.41Å |
| 404 | V | 85 | Confident | 82.1 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 175.8 | 175.5 | 0 | 0 | 0 | 0 | 111 | N400 L401 D402 E406 Q407 A408 A745 T748 Y749 | N400-V404 WeakPolarHBondContact O-CG2 3.4Å; N400-V404 PolarHBondContact O-N 3.14Å; L401-V404 PolarHBondContact O-N 3.13Å; D402-V404 VanDerWaalsContact C-N 3.33Å; D402-V404 PolarHBondContact O-N 3.12Å; V404-E406 VanDerWaalsContact C-N 3.32Å; V404-E406 PolarHBondContact O-N 2.92Å; V404-Q407 PolarHBondContact O-N 3.33Å; V404-A408 PolarHBondContact O-N 3.34Å; V404-A745 HydrophobicContact CG1-CB 4.26Å; V404-A745 VanDerWaalsContact CG1-O 3.24Å; V404-A745 WeakPolarHBondContact CG1-O 3.49Å; V404-A745 HydrophobicContact CG2-CB 3.89Å; V404-T748 HydrophobicContact CG1-CG2 4.46Å; V404-Y749 HydrophobicContact CG1-CD2 4.2Å |
| 405 | A | 92.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F390 L401 D402 A408 I409 L428 T748 V752 | F390-A405 HydrophobicContact CZ-CB 3.81Å; L401-A405 PolarHBondContact O-N 2.89Å; D402-A405 PolarHBondContact O-N 2.97Å; A405-A408 PolarHBondContact O-N 3.48Å; A405-I409 VanDerWaalsContact O-CG1 3.23Å; A405-I409 WeakPolarHBondContact O-CG1 3.3Å; A405-I409 PolarHBondContact O-N 2.8Å; A405-L428 HydrophobicContact CB-CD1 4.4Å; A405-L428 HydrophobicContact CB-CD2 3.66Å; A405-T748 HydrophobicContact CB-CG2 3.96Å; A405-V752 HydrophobicContact CB-CG2 4.13Å |
| 406 | E | 92.9 | Very high | 84.5 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.1 | -169.8 | 176.5 | -162.6 | 0 | 0 | 112.2 | D402 H403 V404 A408 I409 N410 L428 | D402-E406 PolarHBondContact O-N 3.28Å; H403-E406 PolarHBondContact O-N 2.96Å; V404-E406 VanDerWaalsContact C-N 3.32Å; V404-E406 PolarHBondContact O-N 2.92Å; E406-A408 VanDerWaalsContact C-N 3.34Å; E406-A408 PolarHBondContact O-N 2.85Å; E406-I409 PolarHBondContact O-N 2.65Å; E406-N410 WeakPolarHBondContact O-CB 3.49Å; E406-N410 PolarHBondContact O-N 3.01Å; E406-L428 HydrophobicContact CB-CD2 4.33Å |
| 407 | Q | 86.9 | Confident | 85.3 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 173.8 | -74.5 | 177.5 | 5.8 | 0 | 0 | 111.9 | H403 V404 N410 F411 | H403-Q407 VanDerWaalsContact O-CG 3.3Å; H403-Q407 WeakPolarHBondContact O-CG 3.36Å; H403-Q407 PolarHBondContact O-N 3.41Å; V404-Q407 PolarHBondContact O-N 3.33Å; Q407-N410 WeakPolarHBondContact O-CB 3.36Å; Q407-N410 PolarHBondContact O-N 3.44Å; Q407-F411 PolarHBondContact O-N 3.35Å |
| 408 | A | 88.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V404 A405 E406 N410 F411 V412 Y749 V752 | V404-A408 PolarHBondContact O-N 3.34Å; A405-A408 PolarHBondContact O-N 3.48Å; E406-A408 VanDerWaalsContact C-N 3.34Å; E406-A408 PolarHBondContact O-N 2.85Å; A408-N410 VanDerWaalsContact C-N 3.31Å; A408-N410 PolarHBondContact O-N 3.23Å; A408-F411 WeakPolarHBondContact O-CB 3.24Å; A408-F411 PolarHBondContact O-N 3.05Å; A408-V412 WeakPolarHBondContact O-CG2 3.23Å; A408-V412 PolarHBondContact O-N 3.13Å; A408-Y749 HydrophobicContact CB-CD1 4.08Å; A408-Y749 HydrophobicContact CB-CD2 3.59Å; A408-Y749 HydrophobicContact CB-CE1 4.11Å; A408-Y749 HydrophobicContact CB-CE2 3.66Å; A408-Y749 HydrophobicContact CB-CG 3.82Å; A408-V752 HydrophobicContact CB-CB 3.64Å; A408-V752 HydrophobicContact CB-CG1 3.81Å; A408-V752 HydrophobicContact CB-CG2 3.89Å |
| 409 | I | 95.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.1 | -69.5 | -76.8 | 0 | 0 | 0 | 110.6 | V386 A405 E406 F411 V412 N413 L426 L428 V752 | V386-I409 HydrophobicContact CB-CD1 4.44Å; V386-I409 HydrophobicContact CG2-CD1 4.11Å; A405-I409 VanDerWaalsContact O-CG1 3.23Å; A405-I409 WeakPolarHBondContact O-CG1 3.3Å; A405-I409 PolarHBondContact O-N 2.8Å; E406-I409 PolarHBondContact O-N 2.65Å; I409-F411 VanDerWaalsContact C-N 3.34Å; I409-F411 PolarHBondContact O-N 2.97Å; I409-V412 VanDerWaalsContact O-CG2 3.25Å; I409-V412 WeakPolarHBondContact O-CG2 3.27Å; I409-N413 WeakPolarHBondContact O-CB 3.39Å; I409-N413 VanDerWaalsContact O-CG 3.26Å; I409-N413 PolarHBondContact O-N 3.31Å; I409-N413 PolarHBondContact O-ND2 2.68Å; I409-L426 HydrophobicContact CD1-CB 3.63Å; I409-L426 HydrophobicContact CD1-CD1 4Å; I409-L426 HydrophobicContact CD1-CG 4.47Å; I409-L426 HydrophobicContact CG2-CB 4.19Å; I409-L426 WeakPolarHBondContact CG2-O 3.43Å; I409-L428 HydrophobicContact CG1-CB 4.33Å; I409-V752 HydrophobicContact CD1-CG1 3.59Å; I409-V752 HydrophobicContact CG1-CG1 3.81Å; I409-V752 HydrophobicContact CG1-CG2 4.32Å |
| 410 | N | 92 | Very high | 88.2 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 176.4 | -168.8 | 22.9 | 0 | 0 | 0 | 111.4 | E406 Q407 A408 N413 H414 | E406-N410 WeakPolarHBondContact O-CB 3.49Å; E406-N410 PolarHBondContact O-N 3.01Å; Q407-N410 WeakPolarHBondContact O-CB 3.36Å; Q407-N410 PolarHBondContact O-N 3.44Å; A408-N410 VanDerWaalsContact C-N 3.31Å; A408-N410 PolarHBondContact O-N 3.23Å; N410-N413 PolarHBondContact O-N 3.04Å; N410-H414 PolarHBondContact O-N 3.1Å; N410-H414 PolarHBondContact O-ND1 3.47Å; N410-H414 PolarHBondContact OD1-CE1 3.05Å; N410-H414 PolarHBondContact OD1-ND1 3.16Å |
| 411 | F | 90.8 | Very high | 88.2 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -54.4 | 175.5 | 167.7 | -99.1 | 0 | 0 | 0 | 112.2 | Q407 A408 I409 N413 H414 N415 Y418 Y749 I753 Y818 | Q407-F411 PolarHBondContact O-N 3.35Å; A408-F411 WeakPolarHBondContact O-CB 3.24Å; A408-F411 PolarHBondContact O-N 3.05Å; I409-F411 VanDerWaalsContact C-N 3.34Å; I409-F411 PolarHBondContact O-N 2.97Å; F411-N413 VanDerWaalsContact C-N 3.25Å; F411-N413 PolarHBondContact O-N 3.19Å; F411-H414 PolarHBondContact O-N 3.07Å; F411-H414 VanDerWaalsContact O-N 3.11Å; F411-N415 HydrophobicContact CE2-CB 4.49Å; F411-N415 WeakPolarHBondContact CE2-ND2 3.49Å; F411-N415 HydrophobicContact CZ-CB 4.44Å; F411-N415 WeakPolarHBondContact CZ-ND2 3.48Å; F411-N415 VanDerWaalsContact O-CB 3.24Å; F411-N415 WeakPolarHBondContact O-CB 3.04Å; F411-N415 PolarHBondContact O-N 2.82Å; F411-Y418 HydrophobicContact CE1-CD2 4.45Å; F411-Y418 AromaticContact CE1-CE2 3.93Å; F411-Y418 HydrophobicContact CE1-CE2 3.93Å; F411-Y418 HydrophobicContact CZ-CE2 4.48Å; F411-Y749 VanDerWaalsContact CB-OH 3.26Å; F411-Y749 WeakPolarHBondContact CB-OH 3.36Å; F411-Y749 VanDerWaalsContact CG-OH 3.23Å; F411-Y749 WeakPolarHBondContact CG-OH 3.07Å; F411-I753 HydrophobicContact CD1-CD1 3.75Å; F411-I753 HydrophobicContact CE1-CD1 3.91Å; F411-Y818 AromaticContact CE1-CD2 3.87Å; F411-Y818 HydrophobicContact CE1-CD2 3.87Å; F411-Y818 AromaticContact CE1-CE2 3.71Å; F411-Y818 HydrophobicContact CE1-CE2 3.71Å; F411-Y818 AromaticContact CZ-CD2 3.66Å; F411-Y818 HydrophobicContact CZ-CD2 3.66Å; F411-Y818 AromaticContact CZ-CE2 3.68Å; F411-Y818 HydrophobicContact CZ-CE2 3.68Å |
| 412 | V | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -29.5 | -177.9 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | A408 I409 Y418 F419 L426 V752 I753 A756 | A408-V412 WeakPolarHBondContact O-CG2 3.23Å; A408-V412 PolarHBondContact O-N 3.13Å; I409-V412 VanDerWaalsContact O-CG2 3.25Å; I409-V412 WeakPolarHBondContact O-CG2 3.27Å; V412-Y418 HydrophobicContact CB-CD2 4.49Å; V412-Y418 HydrophobicContact CB-CG 4.16Å; V412-Y418 HydrophobicContact CG1-CD1 4.35Å; V412-Y418 HydrophobicContact CG1-CD2 4.3Å; V412-Y418 HydrophobicContact CG1-CG 4.19Å; V412-Y418 VanDerWaalsContact O-CB 3.28Å; V412-Y418 WeakPolarHBondContact O-CB 2.86Å; V412-F419 HydrophobicContact CB-CD2 4.25Å; V412-F419 HydrophobicContact CG2-CD2 4.26Å; V412-F419 PolarHBondContact O-N 2.85Å; V412-L426 HydrophobicContact CG2-CD1 3.93Å; V412-V752 HydrophobicContact CG2-CG1 4.47Å; V412-I753 HydrophobicContact CG1-CD1 3.42Å; V412-I753 VanDerWaalsContact CG1-CD1 3.42Å; V412-A756 HydrophobicContact CB-CB 4.15Å; V412-A756 HydrophobicContact CG1-CB 3.84Å; V412-A756 HydrophobicContact CG2-CB 4.31Å |
| 413 | N | 94.6 | Very high | 87.9 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.8 | -29.6 | 175.1 | -78.8 | -26.4 | 0 | 0 | 0 | 114.1 | I409 N410 F411 S420 A425 L426 | I409-N413 WeakPolarHBondContact O-CB 3.39Å; I409-N413 VanDerWaalsContact O-CG 3.26Å; I409-N413 PolarHBondContact O-N 3.31Å; I409-N413 PolarHBondContact O-ND2 2.68Å; N410-N413 PolarHBondContact O-N 3.04Å; F411-N413 VanDerWaalsContact C-N 3.25Å; F411-N413 PolarHBondContact O-N 3.19Å; N413-S420 WeakPolarHBondContact O-CA 3.48Å; N413-S420 PolarHBondContact O-N 2.91Å; N413-A425 WeakPolarHBondContact OD1-CA 3.28Å; N413-L426 PolarHBondContact ND2-O 2.87Å; N413-L426 PolarHBondContact OD1-N 3.31Å |
| 414 | H | 89.9 | Confident | 88 | Confident | 138 Ų | 138 | 49 Ų | 49 | 64% | 0.639 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -100 | -7.8 | -178.7 | -69 | 92.9 | 0 | 0 | 0 | 113.8 | N410 F411 S420 | N410-H414 PolarHBondContact O-N 3.1Å; N410-H414 PolarHBondContact O-ND1 3.47Å; N410-H414 PolarHBondContact OD1-CE1 3.05Å; N410-H414 PolarHBondContact OD1-ND1 3.16Å; F411-H414 PolarHBondContact O-N 3.07Å; F411-H414 VanDerWaalsContact O-N 3.11Å; H414-S420 VanDerWaalsContact C-CB 3.43Å; H414-S420 WeakPolarHBondContact O-CB 3.49Å |
| 415 | N | 83.7 | Confident | 88.3 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | trans | -90.4 | 130 | -179.8 | -173.7 | -34.9 | 0 | 0 | 0 | 112.3 | F411 D417 Y418 F419 S420 | F411-N415 HydrophobicContact CE2-CB 4.49Å; F411-N415 WeakPolarHBondContact CE2-ND2 3.49Å; F411-N415 HydrophobicContact CZ-CB 4.44Å; F411-N415 WeakPolarHBondContact CZ-ND2 3.48Å; F411-N415 VanDerWaalsContact O-CB 3.24Å; F411-N415 WeakPolarHBondContact O-CB 3.04Å; F411-N415 PolarHBondContact O-N 2.82Å; N415-D417 VanDerWaalsContact C-N 3.28Å; N415-D417 PolarHBondContact O-N 2.97Å; N415-D417 WeakPolarHBondContact OD1-CB 3.2Å; N415-D417 PolarHBondContact OD1-N 3.2Å; N415-Y418 HydrophobicContact CB-CD2 3.88Å; N415-Y418 CarbonylContact O-C 3.57Å; N415-Y418 PolarHBondContact O-N 2.67Å; N415-Y418 VanDerWaalsContact O-N 3.16Å; N415-F419 PolarHBondContact O-N 2.96Å; N415-S420 VanDerWaalsContact C-CB 3.47Å; N415-S420 WeakPolarHBondContact O-CB 2.97Å; N415-S420 PolarHBondContact O-N 3.29Å; N415-S420 VanDerWaalsContact O-N 3.08Å; N415-S420 PolarHBondContact O-OG 3.26Å | ||
| 416 | P | 81.2 | Confident | 88.5 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 49% | 0.487 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.5 | -179.9 | 27.5 | -36.8 | 0 | 0 | 0 | 115.7 | Y418 S420 N421 | P416-Y418 PolarHBondContact O-N 3.34Å; P416-S420 WeakPolarHBondContact CA-OG 3.46Å; P416-N421 VanDerWaalsContact CB-ND2 3.32Å; P416-N421 WeakPolarHBondContact CB-ND2 3.23Å |
| 417 | D | 79.5 | Confident | 88.6 | Confident | 110 Ų | 110 | 44.9 Ų | 44.9 | 59% | 0.588 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.8 | 176.7 | -59 | -32.9 | 0 | 0 | 0 | 112 | N415 | N415-D417 VanDerWaalsContact C-N 3.28Å; N415-D417 PolarHBondContact O-N 2.97Å; N415-D417 WeakPolarHBondContact OD1-CB 3.2Å; N415-D417 PolarHBondContact OD1-N 3.2Å |
| 418 | Y | 87.4 | Confident | 89 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -109 | -179.9 | -60.7 | -82.4 | 0 | 0 | 0 | 110.5 | F411 V412 N415 P416 T422 A756 A757 I760 | F411-Y418 HydrophobicContact CE1-CD2 4.45Å; F411-Y418 AromaticContact CE1-CE2 3.93Å; F411-Y418 HydrophobicContact CE1-CE2 3.93Å; F411-Y418 HydrophobicContact CZ-CE2 4.48Å; V412-Y418 HydrophobicContact CB-CD2 4.49Å; V412-Y418 HydrophobicContact CB-CG 4.16Å; V412-Y418 HydrophobicContact CG1-CD1 4.35Å; V412-Y418 HydrophobicContact CG1-CD2 4.3Å; V412-Y418 HydrophobicContact CG1-CG 4.19Å; V412-Y418 VanDerWaalsContact O-CB 3.28Å; V412-Y418 WeakPolarHBondContact O-CB 2.86Å; N415-Y418 HydrophobicContact CB-CD2 3.88Å; N415-Y418 CarbonylContact O-C 3.57Å; N415-Y418 PolarHBondContact O-N 2.67Å; N415-Y418 VanDerWaalsContact O-N 3.16Å; P416-Y418 PolarHBondContact O-N 3.34Å; Y418-T422 VanDerWaalsContact O-CG2 3.25Å; Y418-T422 WeakPolarHBondContact O-CG2 3.38Å; Y418-A756 HydrophobicContact CD1-CB 4.16Å; Y418-A756 HydrophobicContact CE1-CB 4.47Å; Y418-A757 HydrophobicContact CE1-CB 3.89Å; Y418-I760 HydrophobicContact CD1-CG2 4.45Å; Y418-I760 WeakPolarHBondContact O-CD1 3.39Å |
| 419 | F | 90.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8.9 | -167.1 | -65.6 | -70.1 | 0 | 0 | 0 | 114.2 | K381 V412 N415 N421 T422 L426 A756 L759 I760 L763 | K381-F419 PolarHBondContact NZ-O 2.8Å; V412-F419 HydrophobicContact CB-CD2 4.25Å; V412-F419 HydrophobicContact CG2-CD2 4.26Å; V412-F419 PolarHBondContact O-N 2.85Å; N415-F419 PolarHBondContact O-N 2.96Å; F419-N421 VanDerWaalsContact C-N 3.28Å; F419-N421 PolarHBondContact O-N 3.36Å; F419-T422 WeakPolarHBondContact CA-OG1 3.05Å; F419-T422 PolarHBondContact O-N 3.42Å; F419-T422 PolarHBondContact O-OG1 3.38Å; F419-L426 HydrophobicContact CD2-CD1 4.14Å; F419-L426 HydrophobicContact CD2-CG 3.87Å; F419-L426 HydrophobicContact CE2-CD1 3.49Å; F419-L426 VanDerWaalsContact CE2-CD1 3.49Å; F419-L426 HydrophobicContact CE2-CD2 4.07Å; F419-L426 HydrophobicContact CE2-CG 3.47Å; F419-L426 VanDerWaalsContact CE2-CG 3.47Å; F419-L426 HydrophobicContact CZ-CD1 4.23Å; F419-L426 HydrophobicContact CZ-CD2 4.1Å; F419-L426 HydrophobicContact CZ-CG 4.01Å; F419-A756 HydrophobicContact CE2-CB 3.86Å; F419-L759 HydrophobicContact CE1-CD2 4.37Å; F419-L759 HydrophobicContact CZ-CB 4.42Å; F419-L759 HydrophobicContact CZ-CD2 3.94Å; F419-L759 HydrophobicContact CZ-CG 4.3Å; F419-I760 HydrophobicContact CD1-CD1 4.42Å; F419-I760 HydrophobicContact CE1-CD1 4.29Å; F419-L763 HydrophobicContact CE1-CD1 4.44Å |
| 420 | S | 85.6 | Confident | 89 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41.3 | -172.5 | 89.3 | 0 | 0 | 0 | 0 | 112.8 | K381 N413 H414 N415 P416 | K381-S420 PolarHBondContact NZ-O 3.14Å; N413-S420 WeakPolarHBondContact O-CA 3.48Å; N413-S420 PolarHBondContact O-N 2.91Å; H414-S420 VanDerWaalsContact C-CB 3.43Å; H414-S420 WeakPolarHBondContact O-CB 3.49Å; N415-S420 VanDerWaalsContact C-CB 3.47Å; N415-S420 WeakPolarHBondContact O-CB 2.97Å; N415-S420 PolarHBondContact O-N 3.29Å; N415-S420 VanDerWaalsContact O-N 3.08Å; N415-S420 PolarHBondContact O-OG 3.26Å; P416-S420 WeakPolarHBondContact CA-OG 3.46Å |
| 421 | N | 82.2 | Confident | 89 | Confident | 114 Ų | 114 | 42.7 Ų | 42.7 | 61% | 0.61 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 8.1 | -177.9 | -63.9 | -25.2 | 0 | 0 | 0 | 113.5 | P416 F419 | P416-N421 VanDerWaalsContact CB-ND2 3.32Å; P416-N421 WeakPolarHBondContact CB-ND2 3.23Å; F419-N421 VanDerWaalsContact C-N 3.28Å; F419-N421 PolarHBondContact O-N 3.36Å |
| 422 | T | 84.2 | Confident | 88.7 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -104.2 | 166.1 | -180 | 79.1 | 0 | 0 | 0 | 0 | 111.5 | W42 K381 Y418 F419 Y424 I760 | W42-T422 VanDerWaalsContact CE2-O 3.31Å; W42-T422 VanDerWaalsContact NE1-C 3.35Å; W42-T422 PolarHBondContact NE1-O 3Å; K381-T422 WeakPolarHBondContact CE-O 3.33Å; K381-T422 PolarHBondContact NZ-O 3.46Å; Y418-T422 VanDerWaalsContact O-CG2 3.25Å; Y418-T422 WeakPolarHBondContact O-CG2 3.38Å; F419-T422 WeakPolarHBondContact CA-OG1 3.05Å; F419-T422 PolarHBondContact O-N 3.42Å; F419-T422 PolarHBondContact O-OG1 3.38Å; T422-Y424 PolarHBondContact O-N 2.75Å; T422-Y424 PolarHBondContact OG1-N 3.47Å; T422-Y424 VanDerWaalsContact OG1-N 3.11Å; T422-Y424 PolarHBondContact OG1-O 2.91Å; T422-Y424 VanDerWaalsContact OG1-O 3.11Å; T422-I760 HydrophobicContact CG2-CD1 3.67Å |
| 423 | E | 84.4 | Confident | 88.6 | Confident | 33 Ų | 33 | 44.9 Ų | 44.9 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -76.4 | -3.3 | 170.2 | 61.1 | 158.8 | 101.8 | 0 | 0 | 113.8 | W42 R44 K381 L382 | W42-E423 HydrophobicContact CB-CB 4.27Å; W42-E423 HydrophobicContact CD2-CB 3.8Å; W42-E423 HydrophobicContact CE3-CB 3.82Å; W42-E423 HydrophobicContact CG-CB 4.03Å; W42-E423 HydrophobicContact CZ3-CB 4.36Å; R44-E423 IonicContact CZ-OE1 2.85Å; R44-E423 IonicContact CZ-OE2 2.72Å; R44-E423 IonicContact NH1-OE1 3.75Å; R44-E423 PolarHBondContact NH1-OE1 2.94Å; R44-E423 VanDerWaalsContact NH1-OE1 3.12Å; R44-E423 IonicContact NH1-OE2 3.55Å; R44-E423 PolarHBondContact NH1-OE2 3.31Å; K381-E423 CarbonylContact C-O 3.51Å; K381-E423 WeakPolarHBondContact CA-O 2.92Å; K381-E423 WeakPolarHBondContact CB-O 3.49Å; L382-E423 PolarHBondContact N-O 2.76Å |
| 424 | Y | 89.5 | Confident | 88.2 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 153 | -176.4 | -52.6 | -73.3 | 0 | 0 | 0 | 110.8 | K381 L382 L384 T422 L763 I770 | K381-Y424 WeakPolarHBondContact CD-O 3.17Å; L382-Y424 HydrophobicContact CB-CD1 4.02Å; L382-Y424 HydrophobicContact CB-CE1 4.47Å; L382-Y424 HydrophobicContact CD2-CD1 4.02Å; L382-Y424 HydrophobicContact CD2-CE1 3.87Å; L382-Y424 HydrophobicContact CG-CD1 4.43Å; L382-Y424 WeakPolarHBondContact O-CA 3.41Å; L384-Y424 HydrophobicContact CD1-CD1 3.98Å; L384-Y424 HydrophobicContact CD1-CG 4.14Å; L384-Y424 HydrophobicContact CG-CD1 4.34Å; T422-Y424 PolarHBondContact O-N 2.75Å; T422-Y424 PolarHBondContact OG1-N 3.47Å; T422-Y424 VanDerWaalsContact OG1-N 3.11Å; T422-Y424 PolarHBondContact OG1-O 2.91Å; T422-Y424 VanDerWaalsContact OG1-O 3.11Å; Y424-L763 HydrophobicContact CD2-CD1 3.7Å; Y424-L763 HydrophobicContact CE2-CD1 3.81Å; Y424-L763 HydrophobicContact CG-CD1 4.32Å; Y424-I770 HydrophobicContact CE1-CG1 4.11Å; Y424-I770 HydrophobicContact CE1-CG2 4.47Å |
| 425 | A | 92.4 | Very high | 87.8 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 142.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | K381 L382 N383 L384 N413 | K381-A425 HydrophobicContact CB-CB 3.95Å; K381-A425 HydrophobicContact CD-CB 4Å; L382-A425 PolarHBondContact O-N 3.14Å; N383-A425 CarbonylContact C-O 3.59Å; N383-A425 WeakPolarHBondContact CA-O 3.27Å; L384-A425 PolarHBondContact N-O 3.36Å; N413-A425 WeakPolarHBondContact OD1-CA 3.28Å |
| 426 | L | 95.5 | Very high | 87.8 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 145.6 | 169.3 | -65.3 | -173.1 | 0 | 0 | 0 | 110.6 | L384 V386 I409 V412 N413 F419 I457 A756 L759 | L384-L426 HydrophobicContact CB-CD2 3.94Å; L384-L426 CarbonylContact O-C 3.12Å; L384-L426 VanDerWaalsContact O-CA 3.31Å; L384-L426 WeakPolarHBondContact O-CA 3.32Å; V386-L426 HydrophobicContact CG2-CD1 4.48Å; I409-L426 HydrophobicContact CD1-CB 3.63Å; I409-L426 HydrophobicContact CD1-CD1 4Å; I409-L426 HydrophobicContact CD1-CG 4.47Å; I409-L426 HydrophobicContact CG2-CB 4.19Å; I409-L426 WeakPolarHBondContact CG2-O 3.43Å; V412-L426 HydrophobicContact CG2-CD1 3.93Å; N413-L426 PolarHBondContact ND2-O 2.87Å; N413-L426 PolarHBondContact OD1-N 3.31Å; F419-L426 HydrophobicContact CD2-CD1 4.14Å; F419-L426 HydrophobicContact CD2-CG 3.87Å; F419-L426 HydrophobicContact CE2-CD1 3.49Å; F419-L426 VanDerWaalsContact CE2-CD1 3.49Å; F419-L426 HydrophobicContact CE2-CD2 4.07Å; F419-L426 HydrophobicContact CE2-CG 3.47Å; F419-L426 VanDerWaalsContact CE2-CG 3.47Å; F419-L426 HydrophobicContact CZ-CD1 4.23Å; F419-L426 HydrophobicContact CZ-CD2 4.1Å; F419-L426 HydrophobicContact CZ-CG 4.01Å; L426-I457 HydrophobicContact CD1-CD1 4.49Å; L426-I457 HydrophobicContact CD2-CD1 3.53Å; L426-I457 HydrophobicContact CD2-CG1 4.37Å; L426-A756 HydrophobicContact CD1-CB 3.83Å; L426-L759 HydrophobicContact CD2-CD2 4.16Å |
| 427 | T | 95 | Very high | 88 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.6 | 172.3 | 55.9 | 0 | 0 | 0 | 0 | 109.1 | N383 L384 T385 V386 | N383-T427 HydrophobicContact CB-CG2 3.65Å; N383-T427 VanDerWaalsContact CG-CG2 3.48Å; L384-T427 PolarHBondContact O-N 3.3Å; L384-T427 PolarHBondContact O-OG1 3.06Å; T385-T427 CarbonylContact C-O 3.42Å; T385-T427 WeakPolarHBondContact CA-O 3.45Å; T385-T427 PolarHBondContact OG1-OG1 3.07Å; V386-T427 PolarHBondContact N-O 3.39Å |
| 428 | L | 94.9 | Very high | 88.3 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 18% | 0.183 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.7 | 176.2 | -170.3 | 64.2 | 0 | 0 | 0 | 110.2 | V386 A405 E406 I409 V430 | V386-L428 HydrophobicContact CB-CD1 4.32Å; V386-L428 HydrophobicContact CG1-CD1 4.2Å; V386-L428 WeakPolarHBondContact O-CA 3.44Å; A405-L428 HydrophobicContact CB-CD1 4.4Å; A405-L428 HydrophobicContact CB-CD2 3.66Å; E406-L428 HydrophobicContact CB-CD2 4.33Å; I409-L428 HydrophobicContact CG1-CB 4.33Å; L428-V430 HydrophobicContact CD2-CG2 3.55Å; L428-V430 HydrophobicContact CG-CG2 3.68Å |
| 429 | D | 93.3 | Very high | 88.2 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 93.7 | 170 | -168.6 | 8.3 | 0 | 0 | 0 | 108.3 | T385 V386 G388 L447 R454 | T385-D429 HydrophobicContact CG2-CB 3.64Å; V386-D429 PolarHBondContact O-N 3.39Å; G388-D429 PolarHBondContact N-O 3.22Å; D429-L447 WeakPolarHBondContact OD2-CD2 3.49Å; D429-R454 IonicContact OD1-NH1 3.9Å; D429-R454 PolarHBondContact OD1-NH1 2.77Å; D429-R454 IonicContact OD2-CZ 2.6Å; D429-R454 IonicContact OD2-NH1 3.58Å; D429-R454 PolarHBondContact OD2-NH1 2.81Å |
| 430 | V | 92.3 | Very high | 88.2 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 126.8 | -176 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | F390 F392 D402 L428 N432 | F390-V430 HydrophobicContact CD2-CG1 3.89Å; F390-V430 HydrophobicContact CE2-CG1 4.27Å; F390-V430 HydrophobicContact CE2-CG2 4.45Å; F392-V430 HydrophobicContact CE2-CG1 4.07Å; F392-V430 HydrophobicContact CZ-CG1 4.06Å; D402-V430 HydrophobicContact CB-CG1 3.91Å; D402-V430 HydrophobicContact CB-CG2 4.4Å; L428-V430 HydrophobicContact CD2-CG2 3.55Å; L428-V430 HydrophobicContact CG-CG2 3.68Å; V430-N432 WeakPolarHBondContact CG1-OD1 3.37Å |
| 431 | R | 90.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 44.5 Ų | 44.5 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.4 | 174.1 | -53.5 | -61.6 | -78.1 | -167.5 | -5.6 | 109.2 | G388 L389 F390 L433 D443 D446 L447 | G388-R431 PolarHBondContact O-N 3.03Å; L389-R431 HydrophobicContact CD2-CB 3.95Å; L389-R431 HydrophobicContact CD2-CG 3.85Å; F390-R431 PolarHBondContact N-O 3.45Å; R431-L433 HydrophobicContact CB-CD1 4.06Å; R431-L433 HydrophobicContact CB-CD2 4.4Å; R431-L433 HydrophobicContact CB-CG 4.04Å; R431-L433 PolarHBondContact O-N 2.94Å; R431-D443 VanDerWaalsContact CB-OD2 3.23Å; R431-D443 WeakPolarHBondContact CB-OD2 3.33Å; R431-D443 WeakPolarHBondContact CG-OD2 3.46Å; R431-D443 IonicContact CZ-OD1 3.42Å; R431-D443 IonicContact CZ-OD2 2.96Å; R431-D443 IonicContact NE-OD1 3.64Å; R431-D443 PolarHBondContact NE-OD1 2.84Å; R431-D443 IonicContact NE-OD2 3.51Å; R431-D443 PolarHBondContact NE-OD2 3.23Å; R431-D443 VanDerWaalsContact NH2-CG 3.3Å; R431-D443 IonicContact NH2-OD1 3.64Å; R431-D443 PolarHBondContact NH2-OD1 3.11Å; R431-D443 IonicContact NH2-OD2 2.8Å; R431-D446 IonicContact NH2-OD2 2.73Å; R431-L447 HydrophobicContact CG-CD1 3.83Å; R431-L447 HydrophobicContact CG-CD2 4.31Å; R431-L447 HydrophobicContact CG-CG 4.23Å |
| 432 | N | 85.5 | Confident | 89 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 98.2 | -175.6 | -63.3 | 2.7 | 0 | 0 | 0 | 109.8 | F392 V430 | F392-N432 VanDerWaalsContact CD2-CA 3.5Å; F392-N432 HydrophobicContact CD2-CB 3.81Å; F392-N432 HydrophobicContact CE2-CB 4.05Å; F392-N432 WeakPolarHBondContact CE2-OD1 3.38Å; F392-N432 HydrophobicContact CG-CB 4.4Å; V430-N432 WeakPolarHBondContact CG1-OD1 3.37Å |
| 433 | L | 88.8 | Confident | 89.3 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 172 | -166.8 | -59.7 | 175.9 | 0 | 0 | 0 | 113.3 | L389 F390 A391 F392 Y393 R431 V439 V440 D443 L463 | L389-L433 HydrophobicContact CB-CD1 4Å; L389-L433 HydrophobicContact CD2-CD1 3.88Å; L389-L433 HydrophobicContact CG-CD1 4.45Å; F390-L433 PolarHBondContact O-N 3.42Å; A391-L433 CarbonylContact C-O 3.52Å; A391-L433 WeakPolarHBondContact CA-O 3.19Å; F392-L433 PolarHBondContact N-O 3.47Å; Y393-L433 PolarHBondContact N-O 3.22Å; R431-L433 HydrophobicContact CB-CD1 4.06Å; R431-L433 HydrophobicContact CB-CD2 4.4Å; R431-L433 HydrophobicContact CB-CG 4.04Å; R431-L433 PolarHBondContact O-N 2.94Å; L433-V439 HydrophobicContact CD2-CG1 4.26Å; L433-V440 HydrophobicContact CB-CG2 4.5Å; L433-V440 HydrophobicContact CD1-CG2 4.32Å; L433-D443 HydrophobicContact CD1-CB 4.4Å; L433-D443 HydrophobicContact CD2-CB 3.63Å; L433-D443 VanDerWaalsContact CD2-CG 3.49Å; L433-L463 HydrophobicContact CB-CD2 4.43Å |
| 434 | T | 85 | Confident | 89.7 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 162.2 | 164.3 | 58.3 | 0 | 0 | 0 | 0 | 109.4 | Y393 S436 V440 | Y393-T434 VanDerWaalsContact O-CA 3.28Å; Y393-T434 WeakPolarHBondContact O-CA 3.22Å; T434-S436 PolarHBondContact O-N 2.54Å; T434-S436 WeakPolarHBondContact OG1-CB 3.43Å; T434-V440 WeakPolarHBondContact O-CG2 3.48Å |
| 435 | C | 82.7 | Confident | 89.8 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -74.9 | 51.2 | 165.4 | -74.8 | 0 | 0 | 0 | 0 | 112.2 | C464 S467 | C435-C464 HydrophobicContact CB-CB 3.67Å; C435-C464 WeakPolarHBondContact CB-SG 3.43Å; C435-C464 WeakPolarHBondContact SG-CB 3.5Å; C435-C464 PolarHBondContact SG-N 2.77Å; C435-C464 CovalentContact SG-SG 2.05Å; C435-C464 PolarHBondContact SG-SG 3.07Å; C435-S467 VanDerWaalsContact CA-OG 3.27Å; C435-S467 WeakPolarHBondContact CA-OG 3.39Å; C435-S467 WeakPolarHBondContact CB-OG 3.44Å; C435-S467 PolarHBondContact O-OG 3.34Å |
| 436 | S | 82.6 | Confident | 89.6 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 33% | 0.329 | 26% | 0.258 | S | S | . | . | trans | -112.6 | 120.7 | 173 | -160.1 | 0 | 0 | 0 | 0 | 109.1 | T434 D438 V439 V440 | T434-S436 PolarHBondContact O-N 2.54Å; T434-S436 WeakPolarHBondContact OG1-CB 3.43Å; S436-D438 VanDerWaalsContact C-N 3.26Å; S436-D438 WeakPolarHBondContact CB-OD1 3.44Å; S436-D438 PolarHBondContact O-N 3.38Å; S436-D438 PolarHBondContact OG-OD1 3.34Å; S436-V439 PolarHBondContact O-N 3.05Å; S436-V439 VanDerWaalsContact O-N 3.17Å; S436-V440 WeakPolarHBondContact O-CB 3.26Å; S436-V440 WeakPolarHBondContact O-CG2 3.23Å; S436-V440 PolarHBondContact O-N 3.36Å | ||
| 437 | Q | 85 | Confident | 89.2 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.4 | -42.3 | -175.6 | -79.9 | -178.3 | -18.7 | 0 | 0 | 113.2 | L441 D466 P470 | Q437-L441 WeakPolarHBondContact O-CB 3.48Å; Q437-L441 PolarHBondContact O-N 3.17Å; Q437-D466 VanDerWaalsContact CG-O 3.31Å; Q437-D466 WeakPolarHBondContact CG-O 3.41Å; Q437-D466 PolarHBondContact NE2-O 2.91Å; Q437-P470 HydrophobicContact CB-CG 4.49Å |
| 438 | D | 85.6 | Confident | 88.8 | Confident | 110 Ų | 110 | 47 Ų | 47 | 59% | 0.588 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -67.2 | -43.7 | -179.3 | 61.8 | -37 | 0 | 0 | 0 | 112.4 | S436 N442 | S436-D438 VanDerWaalsContact C-N 3.26Å; S436-D438 WeakPolarHBondContact CB-OD1 3.44Å; S436-D438 PolarHBondContact O-N 3.38Å; S436-D438 PolarHBondContact OG-OD1 3.34Å; D438-N442 VanDerWaalsContact O-CB 3.32Å; D438-N442 WeakPolarHBondContact O-CB 3.37Å; D438-N442 PolarHBondContact O-N 3.07Å |
| 439 | V | 87.2 | Confident | 88.2 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | L433 S436 L441 N442 D443 | L433-V439 HydrophobicContact CD2-CG1 4.26Å; S436-V439 PolarHBondContact O-N 3.05Å; S436-V439 VanDerWaalsContact O-N 3.17Å; V439-L441 PolarHBondContact O-N 2.96Å; V439-N442 PolarHBondContact O-N 3.4Å; V439-D443 WeakPolarHBondContact O-CB 3.42Å; V439-D443 PolarHBondContact O-N 2.93Å |
| 440 | V | 90.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 179.7 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L433 T434 S436 Y444 L463 V471 | L433-V440 HydrophobicContact CB-CG2 4.5Å; L433-V440 HydrophobicContact CD1-CG2 4.32Å; T434-V440 WeakPolarHBondContact O-CG2 3.48Å; S436-V440 WeakPolarHBondContact O-CB 3.26Å; S436-V440 WeakPolarHBondContact O-CG2 3.23Å; S436-V440 PolarHBondContact O-N 3.36Å; V440-Y444 WeakPolarHBondContact O-CB 3.41Å; V440-Y444 PolarHBondContact O-N 3.46Å; V440-L463 HydrophobicContact CB-CD1 4.34Å; V440-L463 HydrophobicContact CG1-CD1 3.44Å; V440-L463 VanDerWaalsContact CG1-CD1 3.44Å; V440-L463 HydrophobicContact CG2-CD1 3.87Å; V440-L463 HydrophobicContact CG2-CD2 4.28Å; V440-V471 HydrophobicContact CG1-CG2 3.52Å |
| 441 | L | 92.3 | Very high | 86 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.5 | -43.1 | -179.4 | -178.7 | 60.9 | 0 | 0 | 0 | 112.1 | Q437 V439 D443 Y444 F445 P470 V474 | Q437-L441 WeakPolarHBondContact O-CB 3.48Å; Q437-L441 PolarHBondContact O-N 3.17Å; V439-L441 PolarHBondContact O-N 2.96Å; L441-D443 VanDerWaalsContact C-N 3.32Å; L441-D443 PolarHBondContact O-N 3.09Å; L441-Y444 PolarHBondContact O-N 2.81Å; L441-F445 HydrophobicContact CD1-CD2 4.27Å; L441-F445 HydrophobicContact CD1-CE2 3.71Å; L441-F445 HydrophobicContact CD1-CZ 4.04Å; L441-F445 HydrophobicContact CD2-CE2 4.05Å; L441-F445 HydrophobicContact CG-CD2 4.07Å; L441-F445 HydrophobicContact CG-CE2 3.59Å; L441-F445 HydrophobicContact CG-CZ 4.38Å; L441-F445 VanDerWaalsContact O-CD2 3.24Å; L441-F445 WeakPolarHBondContact O-CD2 3.39Å; L441-F445 PolarHBondContact O-N 3.12Å; L441-P470 HydrophobicContact CB-CG 4.36Å; L441-P470 HydrophobicContact CD1-CB 4.07Å; L441-P470 HydrophobicContact CD2-CB 4.02Å; L441-P470 HydrophobicContact CG-CB 4.41Å; L441-V474 HydrophobicContact CD1-CG2 4.11Å |
| 442 | N | 90.7 | Very high | 84.7 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 178.1 | -170.9 | 65.6 | 0 | 0 | 0 | 111.3 | D438 V439 Y444 F445 D446 | D438-N442 VanDerWaalsContact O-CB 3.32Å; D438-N442 WeakPolarHBondContact O-CB 3.37Å; D438-N442 PolarHBondContact O-N 3.07Å; V439-N442 PolarHBondContact O-N 3.4Å; N442-Y444 VanDerWaalsContact C-N 3.32Å; N442-Y444 PolarHBondContact O-N 2.86Å; N442-F445 WeakPolarHBondContact O-CB 3.29Å; N442-F445 PolarHBondContact O-N 3.06Å; N442-F445 VanDerWaalsContact O-N 3.12Å; N442-D446 PolarHBondContact O-N 3.47Å; N442-D446 VanDerWaalsContact O-N 3.09Å |
| 443 | D | 90.8 | Very high | 83.7 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 178.8 | -167.3 | 83.4 | 0 | 0 | 0 | 112.8 | R431 L433 V439 L441 F445 D446 L447 | R431-D443 VanDerWaalsContact CB-OD2 3.23Å; R431-D443 WeakPolarHBondContact CB-OD2 3.33Å; R431-D443 WeakPolarHBondContact CG-OD2 3.46Å; R431-D443 IonicContact CZ-OD1 3.42Å; R431-D443 IonicContact CZ-OD2 2.96Å; R431-D443 IonicContact NE-OD1 3.64Å; R431-D443 PolarHBondContact NE-OD1 2.84Å; R431-D443 IonicContact NE-OD2 3.51Å; R431-D443 PolarHBondContact NE-OD2 3.23Å; R431-D443 VanDerWaalsContact NH2-CG 3.3Å; R431-D443 IonicContact NH2-OD1 3.64Å; R431-D443 PolarHBondContact NH2-OD1 3.11Å; R431-D443 IonicContact NH2-OD2 2.8Å; L433-D443 HydrophobicContact CD1-CB 4.4Å; L433-D443 HydrophobicContact CD2-CB 3.63Å; L433-D443 VanDerWaalsContact CD2-CG 3.49Å; V439-D443 WeakPolarHBondContact O-CB 3.42Å; V439-D443 PolarHBondContact O-N 2.93Å; L441-D443 VanDerWaalsContact C-N 3.32Å; L441-D443 PolarHBondContact O-N 3.09Å; D443-F445 VanDerWaalsContact C-N 3.34Å; D443-F445 PolarHBondContact O-N 2.9Å; D443-D446 WeakPolarHBondContact O-CB 3.45Å; D443-D446 PolarHBondContact O-N 2.93Å; D443-L447 PolarHBondContact O-N 2.94Å |
| 444 | Y | 93.6 | Very high | 83 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 172 | -175.1 | -120.9 | 0 | 0 | 0 | 112.5 | L389 V440 L441 N442 D446 L447 L448 V459 V471 V474 Q480 | L389-Y444 HydrophobicContact CD1-CD2 4.42Å; V440-Y444 WeakPolarHBondContact O-CB 3.41Å; V440-Y444 PolarHBondContact O-N 3.46Å; L441-Y444 PolarHBondContact O-N 2.81Å; N442-Y444 VanDerWaalsContact C-N 3.32Å; N442-Y444 PolarHBondContact O-N 2.86Å; Y444-D446 VanDerWaalsContact C-N 3.35Å; Y444-L447 HydrophobicContact CD2-CD1 4.36Å; Y444-L447 WeakPolarHBondContact O-CB 3.3Å; Y444-L447 PolarHBondContact O-N 3.08Å; Y444-L448 HydrophobicContact CD1-CD1 4.1Å; Y444-L448 HydrophobicContact CE1-CD1 3.75Å; Y444-L448 HydrophobicContact CE1-CG 4.28Å; Y444-L448 HydrophobicContact CE2-CD2 4.39Å; Y444-L448 HydrophobicContact CE2-CG 4.36Å; Y444-L448 WeakPolarHBondContact O-CG 3.35Å; Y444-L448 PolarHBondContact O-N 3.23Å; Y444-V459 HydrophobicContact CE2-CG2 3.93Å; Y444-V471 HydrophobicContact CD1-CB 4.25Å; Y444-V471 HydrophobicContact CD1-CG1 3.8Å; Y444-V471 HydrophobicContact CD1-CG2 4.1Å; Y444-V471 HydrophobicContact CD2-CG1 3.99Å; Y444-V471 HydrophobicContact CE1-CG1 3.89Å; Y444-V471 HydrophobicContact CE2-CG1 4.13Å; Y444-V471 HydrophobicContact CG-CB 4.47Å; Y444-V471 HydrophobicContact CG-CG1 3.84Å; Y444-V471 HydrophobicContact CG-CG2 4.05Å; Y444-V474 HydrophobicContact CD1-CB 4.39Å; Y444-V474 HydrophobicContact CD1-CG1 4.25Å; Y444-V474 HydrophobicContact CE1-CB 3.94Å; Y444-V474 HydrophobicContact CE1-CG1 3.73Å; Y444-Q480 PolarHBondContact OH-OE1 3.43Å |
| 445 | F | 90.9 | Very high | 82.9 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 171.4 | -74.7 | -56 | 0 | 0 | 0 | 112.4 | L441 N442 D443 L447 L448 T449 V474 | L441-F445 HydrophobicContact CD1-CD2 4.27Å; L441-F445 HydrophobicContact CD1-CE2 3.71Å; L441-F445 HydrophobicContact CD1-CZ 4.04Å; L441-F445 HydrophobicContact CD2-CE2 4.05Å; L441-F445 HydrophobicContact CG-CD2 4.07Å; L441-F445 HydrophobicContact CG-CE2 3.59Å; L441-F445 HydrophobicContact CG-CZ 4.38Å; L441-F445 VanDerWaalsContact O-CD2 3.24Å; L441-F445 WeakPolarHBondContact O-CD2 3.39Å; L441-F445 PolarHBondContact O-N 3.12Å; N442-F445 WeakPolarHBondContact O-CB 3.29Å; N442-F445 PolarHBondContact O-N 3.06Å; N442-F445 VanDerWaalsContact O-N 3.12Å; D443-F445 VanDerWaalsContact C-N 3.34Å; D443-F445 PolarHBondContact O-N 2.9Å; F445-L447 VanDerWaalsContact C-N 3.32Å; F445-L447 PolarHBondContact O-N 3.38Å; F445-L448 HydrophobicContact CD1-CD1 4.36Å; F445-L448 PolarHBondContact O-N 2.96Å; F445-T449 WeakPolarHBondContact O-CG2 3.42Å; F445-T449 PolarHBondContact O-N 3.13Å; F445-T449 PolarHBondContact O-OG1 2.89Å; F445-V474 HydrophobicContact CE1-CG1 4.23Å; F445-V474 HydrophobicContact CE1-CG2 4.46Å; F445-V474 HydrophobicContact CZ-CG2 4.26Å |
| 446 | D | 88.4 | Confident | 83.2 | Confident | 73 Ų | 73 | 62.7 Ų | 62.7 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.1 | -70.5 | -20.3 | 0 | 0 | 0 | 111.8 | R431 N442 D443 Y444 T449 A450 | R431-D446 IonicContact NH2-OD2 2.73Å; N442-D446 PolarHBondContact O-N 3.47Å; N442-D446 VanDerWaalsContact O-N 3.09Å; D443-D446 WeakPolarHBondContact O-CB 3.45Å; D443-D446 PolarHBondContact O-N 2.93Å; Y444-D446 VanDerWaalsContact C-N 3.35Å; D446-T449 WeakPolarHBondContact CA-OG1 3.45Å; D446-T449 PolarHBondContact O-N 3.49Å; D446-T449 PolarHBondContact O-OG1 3.23Å; D446-A450 WeakPolarHBondContact O-CB 3.47Å; D446-A450 PolarHBondContact O-N 3.15Å |
| 447 | L | 88 | Confident | 83.6 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 172.1 | -80.5 | 167 | 0 | 0 | 0 | 112 | A387 L389 D429 R431 D443 Y444 F445 T449 A450 S451 I456 | A387-L447 HydrophobicContact CB-CD1 3.87Å; A387-L447 HydrophobicContact CB-CD2 4.07Å; L389-L447 HydrophobicContact CD2-CD1 3.54Å; D429-L447 WeakPolarHBondContact OD2-CD2 3.49Å; R431-L447 HydrophobicContact CG-CD1 3.83Å; R431-L447 HydrophobicContact CG-CD2 4.31Å; R431-L447 HydrophobicContact CG-CG 4.23Å; D443-L447 PolarHBondContact O-N 2.94Å; Y444-L447 HydrophobicContact CD2-CD1 4.36Å; Y444-L447 WeakPolarHBondContact O-CB 3.3Å; Y444-L447 PolarHBondContact O-N 3.08Å; F445-L447 VanDerWaalsContact C-N 3.32Å; F445-L447 PolarHBondContact O-N 3.38Å; L447-T449 VanDerWaalsContact C-N 3.29Å; L447-T449 PolarHBondContact O-N 3.01Å; L447-A450 PolarHBondContact O-N 3.37Å; L447-S451 PolarHBondContact O-N 3.2Å; L447-S451 VanDerWaalsContact O-N 3.09Å; L447-I456 HydrophobicContact CB-CD1 4.27Å; L447-I456 WeakPolarHBondContact O-CD1 3.45Å |
| 448 | L | 85.3 | Confident | 84 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -28.9 | 179.6 | -69.6 | 177.9 | 0 | 0 | 0 | 113 | Y444 F445 S451 V474 R478 | Y444-L448 HydrophobicContact CD1-CD1 4.1Å; Y444-L448 HydrophobicContact CE1-CD1 3.75Å; Y444-L448 HydrophobicContact CE1-CG 4.28Å; Y444-L448 HydrophobicContact CE2-CD2 4.39Å; Y444-L448 HydrophobicContact CE2-CG 4.36Å; Y444-L448 WeakPolarHBondContact O-CG 3.35Å; Y444-L448 PolarHBondContact O-N 3.23Å; F445-L448 HydrophobicContact CD1-CD1 4.36Å; F445-L448 PolarHBondContact O-N 2.96Å; L448-S451 PolarHBondContact O-OG 2.81Å; L448-V474 HydrophobicContact CD1-CG1 3.84Å; L448-R478 HydrophobicContact CD1-CG 4.41Å |
| 449 | T | 82.2 | Confident | 84.6 | Confident | 82 Ų | 82 | 51.4 Ų | 51.4 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -79 | -35.8 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | F445 D446 L447 S451 | F445-T449 WeakPolarHBondContact O-CG2 3.42Å; F445-T449 PolarHBondContact O-N 3.13Å; F445-T449 PolarHBondContact O-OG1 2.89Å; D446-T449 WeakPolarHBondContact CA-OG1 3.45Å; D446-T449 PolarHBondContact O-N 3.49Å; D446-T449 PolarHBondContact O-OG1 3.23Å; L447-T449 VanDerWaalsContact C-N 3.29Å; L447-T449 PolarHBondContact O-N 3.01Å; T449-S451 PolarHBondContact O-N 3.48Å |
| 450 | A | 74.1 | Confident | 85 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 31% | 0.314 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.9 | -18 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D446 L447 K452 N453 R454 | D446-A450 WeakPolarHBondContact O-CB 3.47Å; D446-A450 PolarHBondContact O-N 3.15Å; L447-A450 PolarHBondContact O-N 3.37Å; A450-K452 PolarHBondContact O-N 2.94Å; A450-K452 VanDerWaalsContact O-N 3.09Å; A450-N453 PolarHBondContact O-N 3.12Å; A450-R454 PolarHBondContact O-N 2.85Å |
| 451 | S | 65.1 | Low | 85.2 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.3 | -176 | 79.8 | 0 | 0 | 0 | 0 | 114.4 | L447 L448 T449 N453 R454 | L447-S451 PolarHBondContact O-N 3.2Å; L447-S451 VanDerWaalsContact O-N 3.09Å; L448-S451 PolarHBondContact O-OG 2.81Å; T449-S451 PolarHBondContact O-N 3.48Å; S451-N453 PolarHBondContact O-N 2.91Å; S451-N453 VanDerWaalsContact O-N 3.11Å; S451-R454 CarbonylContact C-O 3.39Å; S451-R454 WeakPolarHBondContact CA-O 3.16Å; S451-R454 CarbonylContact O-C 3.57Å; S451-R454 PolarHBondContact O-N 3.01Å |
| 452 | K | 63.8 | Low | 85.3 | Confident | 144 Ų | 144 | 46.6 Ų | 46.6 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.4 | 174.9 | -74.4 | -175.7 | 178.8 | 176.2 | 0 | 112.8 | A450 | A450-K452 PolarHBondContact O-N 2.94Å; A450-K452 VanDerWaalsContact O-N 3.09Å |
| 453 | N | 65.9 | Low | 85.2 | Confident | 157 Ų | 157 | 41.9 Ų | 41.9 | 84% | 0.84 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -21.4 | 177.5 | -67.4 | -20.3 | 0 | 0 | 0 | 112.7 | A450 S451 | A450-N453 PolarHBondContact O-N 3.12Å; S451-N453 PolarHBondContact O-N 2.91Å; S451-N453 VanDerWaalsContact O-N 3.11Å |
| 454 | R | 73.3 | Confident | 84.8 | Confident | 114 Ų | 114 | 42 Ų | 42 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -118 | 113.4 | -176.6 | -62 | -177.4 | -177.2 | -166.9 | -1.7 | 109.8 | D429 A450 S451 I456 | D429-R454 IonicContact OD1-NH1 3.9Å; D429-R454 PolarHBondContact OD1-NH1 2.77Å; D429-R454 IonicContact OD2-CZ 2.6Å; D429-R454 IonicContact OD2-NH1 3.58Å; D429-R454 PolarHBondContact OD2-NH1 2.81Å; A450-R454 PolarHBondContact O-N 2.85Å; S451-R454 CarbonylContact C-O 3.39Å; S451-R454 WeakPolarHBondContact CA-O 3.16Å; S451-R454 CarbonylContact O-C 3.57Å; S451-R454 PolarHBondContact O-N 3.01Å; R454-I456 PolarHBondContact O-N 3.2Å |
| 455 | K | 82.3 | Confident | 84.3 | Confident | 92 Ų | 92 | 43.5 Ų | 43.5 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | trans | -72.7 | 92 | 178 | -69 | -166.1 | 176.8 | -167.1 | 0 | 110.3 | L384 T385 I457 I770 | L384-K455 HydrophobicContact CD2-CB 4.1Å; L384-K455 HydrophobicContact CD2-CD 4.21Å; T385-K455 PolarHBondContact N-O 2.96Å; K455-I457 PolarHBondContact O-N 2.99Å; K455-I770 HydrophobicContact CD-CG2 3.69Å; K455-I770 VanDerWaalsContact NZ-CG2 3.32Å; K455-I770 PolarHBondContact NZ-O 2.74Å | ||
| 456 | I | 89.7 | Confident | 83.7 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 112.4 | 178.1 | -54.8 | 176.6 | 0 | 0 | 0 | 109.2 | T385 A387 L447 R454 | T385-I456 CarbonylContact O-C 3.59Å; T385-I456 VanDerWaalsContact O-CA 3.28Å; T385-I456 WeakPolarHBondContact O-CA 3.45Å; A387-I456 HydrophobicContact CB-CG2 4.32Å; L447-I456 HydrophobicContact CB-CD1 4.27Å; L447-I456 WeakPolarHBondContact O-CD1 3.45Å; R454-I456 PolarHBondContact O-N 3.2Å |
| 457 | I | 91.4 | Very high | 83.5 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -23.7 | 179.9 | 57.2 | 143.2 | 0 | 0 | 0 | 113 | L384 T385 V386 L426 K455 L759 F773 Y782 | L384-I457 HydrophobicContact CB-CG2 3.96Å; L384-I457 HydrophobicContact CD1-CG2 4.44Å; T385-I457 VanDerWaalsContact O-CG1 3.27Å; T385-I457 WeakPolarHBondContact O-CG1 3.44Å; T385-I457 PolarHBondContact O-N 3.03Å; V386-I457 HydrophobicContact CG2-CD1 3.63Å; V386-I457 HydrophobicContact CG2-CG1 3.83Å; L426-I457 HydrophobicContact CD1-CD1 4.49Å; L426-I457 HydrophobicContact CD2-CD1 3.53Å; L426-I457 HydrophobicContact CD2-CG1 4.37Å; K455-I457 PolarHBondContact O-N 2.99Å; I457-L759 HydrophobicContact CB-CD2 4.4Å; I457-L759 HydrophobicContact CD1-CD2 3.73Å; I457-L759 HydrophobicContact CG2-CD2 4.02Å; I457-F773 HydrophobicContact CB-CE1 4.28Å; I457-F773 HydrophobicContact CB-CZ 4.1Å; I457-F773 HydrophobicContact CG2-CE1 4.47Å; I457-F773 HydrophobicContact CG2-CZ 4.29Å; I457-F773 WeakPolarHBondContact O-CE1 3.4Å; I457-Y782 VanDerWaalsContact O-CE1 3.27Å; I457-Y782 WeakPolarHBondContact O-CE1 3.4Å |
| 458 | G | 93.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 170 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | A387 I481 | A387-G458 PolarHBondContact N-O 2.62Å; G458-I481 WeakPolarHBondContact CA-O 3.48Å |
| 459 | V | 96.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.8 | -178.3 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | A387 L389 Y444 A461 Q480 I481 V482 V483 | A387-V459 HydrophobicContact CB-CG1 4.35Å; A387-V459 HydrophobicContact CB-CG2 4.26Å; A387-V459 CarbonylContact O-C 3.54Å; A387-V459 WeakPolarHBondContact O-CA 3.29Å; L389-V459 HydrophobicContact CD1-CG1 3.85Å; L389-V459 HydrophobicContact CG-CG1 3.89Å; Y444-V459 HydrophobicContact CE2-CG2 3.93Å; V459-A461 HydrophobicContact CG1-CB 4.48Å; V459-Q480 HydrophobicContact CG2-CG 4.25Å; V459-I481 PolarHBondContact N-O 3.33Å; V459-V482 HydrophobicContact CB-CG2 4.14Å; V459-V482 HydrophobicContact CG2-CG2 4.44Å; V459-V482 CarbonylContact O-C 3.52Å; V459-V482 WeakPolarHBondContact O-CA 3.39Å; V459-V483 PolarHBondContact O-N 2.88Å |
| 460 | I | 97 | Very high | 84 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.7 | 166.1 | -61.2 | 175.5 | 0 | 0 | 0 | 106.8 | V386 A387 G388 L389 V483 P485 V752 L755 | V386-I460 HydrophobicContact CG1-CD1 3.76Å; V386-I460 HydrophobicContact CG1-CG1 3.81Å; A387-I460 PolarHBondContact O-N 2.85Å; G388-I460 CarbonylContact C-O 3.3Å; G388-I460 WeakPolarHBondContact CA-O 3.35Å; L389-I460 PolarHBondContact N-O 2.87Å; I460-V483 WeakPolarHBondContact CA-O 3.43Å; I460-P485 HydrophobicContact CG2-CG 4.19Å; I460-V752 HydrophobicContact CD1-CB 4.28Å; I460-V752 HydrophobicContact CD1-CG2 3.29Å; I460-L755 HydrophobicContact CG1-CD1 4.07Å |
| 461 | A | 95 | Very high | 84.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 92.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L389 V459 L463 I468 V482 V483 S484 P485 | L389-A461 HydrophobicContact CB-CB 4.46Å; L389-A461 HydrophobicContact CD1-CB 4.45Å; V459-A461 HydrophobicContact CG1-CB 4.48Å; A461-L463 PolarHBondContact O-N 3.03Å; A461-I468 HydrophobicContact CB-CD1 3.32Å; A461-I468 HydrophobicContact CB-CG1 3.93Å; A461-V482 HydrophobicContact CB-CG1 3.84Å; A461-V483 PolarHBondContact N-O 2.95Å; A461-S484 WeakPolarHBondContact O-CA 3.27Å; A461-S484 WeakPolarHBondContact O-CB 3.34Å; A461-S484 PolarHBondContact O-OG 2.89Å; A461-P485 WeakPolarHBondContact O-CD 3.03Å |
| 462 | A | 92.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 73.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L389 F390 A391 L401 P485 T486 | L389-A462 PolarHBondContact O-N 3.07Å; F390-A462 HydrophobicContact CD1-CB 3.6Å; F390-A462 HydrophobicContact CE1-CB 4.03Å; A391-A462 PolarHBondContact N-O 3.07Å; L401-A462 HydrophobicContact CD1-CB 3.78Å; A462-P485 HydrophobicContact CB-CG 3.91Å; A462-T486 WeakPolarHBondContact CA-OG1 3.44Å; A462-T486 HydrophobicContact CB-CG2 3.88Å |
| 463 | L | 89.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -131.4 | 173.9 | -174.4 | -63 | 174.7 | 0 | 0 | 0 | 110.5 | L389 A391 L433 V440 A461 I468 T486 | L389-L463 HydrophobicContact CB-CD1 3.9Å; L389-L463 HydrophobicContact CB-CG 4.26Å; L389-L463 HydrophobicContact CD1-CD1 4.32Å; A391-L463 HydrophobicContact CB-CD2 4.03Å; L433-L463 HydrophobicContact CB-CD2 4.43Å; V440-L463 HydrophobicContact CB-CD1 4.34Å; V440-L463 HydrophobicContact CG1-CD1 3.44Å; V440-L463 VanDerWaalsContact CG1-CD1 3.44Å; V440-L463 HydrophobicContact CG2-CD1 3.87Å; V440-L463 HydrophobicContact CG2-CD2 4.28Å; A461-L463 PolarHBondContact O-N 3.03Å; L463-I468 HydrophobicContact CB-CB 4.46Å; L463-T486 PolarHBondContact N-OG1 2.8Å; L463-T486 VanDerWaalsContact N-OG1 3.11Å; L463-T486 PolarHBondContact O-OG1 3.19Å |
| 464 | C | 83.4 | Confident | 88.5 | Confident | 24 Ų | 24 | 25.9 Ų | 25.9 | 16% | 0.162 | 13% | 0.127 | C | C | . | . | trans | -69.2 | 149.7 | 170.9 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | C435 D466 S467 I468 | C435-C464 HydrophobicContact CB-CB 3.67Å; C435-C464 WeakPolarHBondContact CB-SG 3.43Å; C435-C464 WeakPolarHBondContact SG-CB 3.5Å; C435-C464 PolarHBondContact SG-N 2.77Å; C435-C464 CovalentContact SG-SG 2.05Å; C435-C464 PolarHBondContact SG-SG 3.07Å; C464-D466 VanDerWaalsContact C-N 3.3Å; C464-D466 WeakPolarHBondContact CB-OD1 3.4Å; C464-D466 PolarHBondContact O-N 3.42Å; C464-S467 PolarHBondContact O-N 2.97Å; C464-S467 VanDerWaalsContact O-N 3.14Å; C464-I468 PolarHBondContact O-N 3.11Å | ||
| 465 | S | 81.8 | Confident | 89.3 | Confident | 33 Ų | 33 | 20.5 Ų | 20.5 | 23% | 0.231 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.9 | -36.1 | -174.8 | -69.2 | 0 | 0 | 0 | 0 | 113.9 | I468 S489 | S465-I468 WeakPolarHBondContact O-CG2 3.23Å; S465-S489 VanDerWaalsContact CB-OG 3.23Å; S465-S489 WeakPolarHBondContact CB-OG 3.12Å; S465-S489 WeakPolarHBondContact OG-CB 3.37Å; S465-S489 PolarHBondContact OG-OG 3.28Å |
| 466 | D | 77.9 | Confident | 89.6 | Confident | 66 Ų | 66 | 17.3 Ų | 17.3 | 35% | 0.353 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -71.9 | -42.7 | 176 | 60.9 | -21.4 | 0 | 0 | 0 | 111.3 | Q437 C464 I468 E469 | Q437-D466 VanDerWaalsContact CG-O 3.31Å; Q437-D466 WeakPolarHBondContact CG-O 3.41Å; Q437-D466 PolarHBondContact NE2-O 2.91Å; C464-D466 VanDerWaalsContact C-N 3.3Å; C464-D466 WeakPolarHBondContact CB-OD1 3.4Å; C464-D466 PolarHBondContact O-N 3.42Å; D466-I468 VanDerWaalsContact C-N 3.32Å; D466-I468 PolarHBondContact O-N 3.4Å; D466-E469 PolarHBondContact O-N 2.72Å |
| 467 | S | 84.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.4 | -32.5 | -173.3 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | C435 C464 | C435-S467 VanDerWaalsContact CA-OG 3.27Å; C435-S467 WeakPolarHBondContact CA-OG 3.39Å; C435-S467 WeakPolarHBondContact CB-OG 3.44Å; C435-S467 PolarHBondContact O-OG 3.34Å; C464-S467 PolarHBondContact O-N 2.97Å; C464-S467 VanDerWaalsContact O-N 3.14Å |
| 468 | I | 89.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -84.4 | -21.6 | -178 | -158.8 | -171.8 | 0 | 0 | 0 | 113.3 | A461 L463 C464 S465 D466 V471 V472 V482 V487 F492 F501 | A461-I468 HydrophobicContact CB-CD1 3.32Å; A461-I468 HydrophobicContact CB-CG1 3.93Å; L463-I468 HydrophobicContact CB-CB 4.46Å; C464-I468 PolarHBondContact O-N 3.11Å; S465-I468 WeakPolarHBondContact O-CG2 3.23Å; D466-I468 VanDerWaalsContact C-N 3.32Å; D466-I468 PolarHBondContact O-N 3.4Å; I468-V471 HydrophobicContact CG1-CB 4.43Å; I468-V471 WeakPolarHBondContact O-CA 3.5Å; I468-V471 WeakPolarHBondContact O-CB 3.33Å; I468-V471 PolarHBondContact O-N 2.8Å; I468-V472 HydrophobicContact CD1-CG2 4.09Å; I468-V472 HydrophobicContact CG1-CG2 3.99Å; I468-V472 HydrophobicContact CG2-CG2 4.47Å; I468-V472 PolarHBondContact O-N 3.27Å; I468-V482 HydrophobicContact CD1-CG1 4.07Å; I468-V487 HydrophobicContact CD1-CG2 4.28Å; I468-V487 HydrophobicContact CG2-CG2 3.94Å; I468-F492 HydrophobicContact CG2-CE2 3.97Å; I468-F492 HydrophobicContact CG2-CZ 3.67Å; I468-F501 HydrophobicContact CD1-CE2 3.88Å |
| 469 | E | 87.5 | Confident | 89 | Confident | 36 Ų | 36 | 34.4 Ų | 34.4 | 17% | 0.168 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -48.1 | -52 | -175.4 | -175.3 | -177.8 | -140.4 | 0 | 0 | 113.9 | D466 V471 V472 E473 R491 F492 | D466-E469 PolarHBondContact O-N 2.72Å; E469-V471 VanDerWaalsContact C-N 3.28Å; E469-V471 PolarHBondContact O-N 3.08Å; E469-V472 PolarHBondContact O-N 3.34Å; E469-E473 PolarHBondContact O-N 3.35Å; E469-E473 VanDerWaalsContact O-N 3.08Å; E469-R491 VanDerWaalsContact CD-CZ 3.48Å; E469-R491 VanDerWaalsContact CD-NE 3.31Å; E469-R491 IonicContact OE1-CZ 3.6Å; E469-R491 VanDerWaalsContact OE1-CZ 3.23Å; E469-R491 IonicContact OE1-NE 2.93Å; E469-R491 PolarHBondContact OE1-NE 3.22Å; E469-R491 IonicContact OE1-NH2 3.15Å; E469-R491 PolarHBondContact OE1-NH2 3.41Å; E469-R491 IonicContact OE2-CZ 3.1Å; E469-R491 VanDerWaalsContact OE2-CZ 3.25Å; E469-R491 IonicContact OE2-NE 2.74Å; E469-R491 IonicContact OE2-NH2 3.66Å; E469-R491 PolarHBondContact OE2-NH2 2.95Å; E469-F492 HydrophobicContact CB-CE1 4.27Å; E469-F492 HydrophobicContact CB-CZ 4.04Å; E469-F492 HydrophobicContact CG-CE1 4.33Å; E469-F492 HydrophobicContact CG-CZ 4.5Å |
| 470 | P | 89 | Confident | 88.8 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 15% | 0.149 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.8 | -29.8 | 179 | 27 | -36.2 | 0 | 0 | 0 | 113.1 | Q437 L441 V474 | Q437-P470 HydrophobicContact CB-CG 4.49Å; L441-P470 HydrophobicContact CB-CG 4.36Å; L441-P470 HydrophobicContact CD1-CB 4.07Å; L441-P470 HydrophobicContact CD2-CB 4.02Å; L441-P470 HydrophobicContact CG-CB 4.41Å; P470-V474 WeakPolarHBondContact O-CG2 3.47Å; P470-V474 PolarHBondContact O-N 3.1Å; P470-V474 VanDerWaalsContact O-N 3.14Å |
| 471 | V | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L389 V440 Y444 I468 E469 E473 V474 A475 | L389-V471 HydrophobicContact CD1-CG1 4.14Å; V440-V471 HydrophobicContact CG1-CG2 3.52Å; Y444-V471 HydrophobicContact CD1-CB 4.25Å; Y444-V471 HydrophobicContact CD1-CG1 3.8Å; Y444-V471 HydrophobicContact CD1-CG2 4.1Å; Y444-V471 HydrophobicContact CD2-CG1 3.99Å; Y444-V471 HydrophobicContact CE1-CG1 3.89Å; Y444-V471 HydrophobicContact CE2-CG1 4.13Å; Y444-V471 HydrophobicContact CG-CB 4.47Å; Y444-V471 HydrophobicContact CG-CG1 3.84Å; Y444-V471 HydrophobicContact CG-CG2 4.05Å; I468-V471 HydrophobicContact CG1-CB 4.43Å; I468-V471 WeakPolarHBondContact O-CA 3.5Å; I468-V471 WeakPolarHBondContact O-CB 3.33Å; I468-V471 PolarHBondContact O-N 2.8Å; E469-V471 VanDerWaalsContact C-N 3.28Å; E469-V471 PolarHBondContact O-N 3.08Å; V471-E473 VanDerWaalsContact C-N 3.33Å; V471-E473 PolarHBondContact O-N 2.72Å; V471-V474 PolarHBondContact O-N 3.18Å; V471-A475 WeakPolarHBondContact O-CB 3.47Å; V471-A475 PolarHBondContact O-N 3.28Å |
| 472 | V | 92.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | I468 E469 A475 N476 F492 Y498 F501 | I468-V472 HydrophobicContact CD1-CG2 4.09Å; I468-V472 HydrophobicContact CG1-CG2 3.99Å; I468-V472 HydrophobicContact CG2-CG2 4.47Å; I468-V472 PolarHBondContact O-N 3.27Å; E469-V472 PolarHBondContact O-N 3.34Å; V472-A475 PolarHBondContact O-N 3.1Å; V472-N476 PolarHBondContact O-N 3.16Å; V472-N476 PolarHBondContact O-ND2 3.31Å; V472-F492 HydrophobicContact CB-CE1 4.12Å; V472-F492 HydrophobicContact CG1-CD1 4.21Å; V472-F492 HydrophobicContact CG1-CE1 4.29Å; V472-F492 HydrophobicContact CG2-CD1 4.47Å; V472-F492 HydrophobicContact CG2-CE1 4.04Å; V472-Y498 HydrophobicContact CG1-CD1 3.6Å; V472-Y498 HydrophobicContact CG1-CE1 4.34Å; V472-Y498 HydrophobicContact CG1-CG 4.11Å; V472-F501 HydrophobicContact CB-CD2 4.47Å; V472-F501 HydrophobicContact CG1-CB 3.77Å; V472-F501 HydrophobicContact CG1-CD2 4.12Å; V472-F501 HydrophobicContact CG1-CG 4.07Å; V472-F501 HydrophobicContact CG2-CD2 3.47Å; V472-F501 VanDerWaalsContact CG2-CD2 3.47Å; V472-F501 HydrophobicContact CG2-CE2 3.81Å; V472-F501 HydrophobicContact CG2-CG 4.21Å |
| 473 | E | 89 | Confident | 89 | Confident | 104 Ų | 104 | 35.6 Ų | 35.6 | 49% | 0.486 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 176.5 | -71.1 | -173.2 | 165.3 | 0 | 0 | 112.2 | E469 V471 N476 M477 Y498 | E469-E473 PolarHBondContact O-N 3.35Å; E469-E473 VanDerWaalsContact O-N 3.08Å; V471-E473 VanDerWaalsContact C-N 3.33Å; V471-E473 PolarHBondContact O-N 2.72Å; E473-N476 PolarHBondContact O-N 2.87Å; E473-M477 PolarHBondContact O-N 2.96Å; E473-Y498 HydrophobicContact CG-CE1 4.25Å |
| 474 | V | 90.5 | Very high | 89.3 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 16% | 0.158 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.6 | 176 | 0 | 0 | 0 | 0 | 111.4 | L441 Y444 F445 L448 P470 V471 N476 M477 R478 | L441-V474 HydrophobicContact CD1-CG2 4.11Å; Y444-V474 HydrophobicContact CD1-CB 4.39Å; Y444-V474 HydrophobicContact CD1-CG1 4.25Å; Y444-V474 HydrophobicContact CE1-CB 3.94Å; Y444-V474 HydrophobicContact CE1-CG1 3.73Å; F445-V474 HydrophobicContact CE1-CG1 4.23Å; F445-V474 HydrophobicContact CE1-CG2 4.46Å; F445-V474 HydrophobicContact CZ-CG2 4.26Å; L448-V474 HydrophobicContact CD1-CG1 3.84Å; P470-V474 WeakPolarHBondContact O-CG2 3.47Å; P470-V474 PolarHBondContact O-N 3.1Å; P470-V474 VanDerWaalsContact O-N 3.14Å; V471-V474 PolarHBondContact O-N 3.18Å; V474-N476 VanDerWaalsContact C-N 3.32Å; V474-N476 PolarHBondContact O-N 3.08Å; V474-M477 WeakPolarHBondContact O-CB 3.31Å; V474-M477 PolarHBondContact O-N 2.93Å; V474-M477 VanDerWaalsContact O-N 3.16Å; V474-R478 HydrophobicContact CG1-CG 4.48Å; V474-R478 PolarHBondContact O-N 3.21Å |
| 475 | A | 91.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V471 V472 M477 R478 R479 Q480 V482 | V471-A475 WeakPolarHBondContact O-CB 3.47Å; V471-A475 PolarHBondContact O-N 3.28Å; V472-A475 PolarHBondContact O-N 3.1Å; A475-M477 PolarHBondContact O-N 3.34Å; A475-R478 CarbonylContact O-C 3.34Å; A475-R478 PolarHBondContact O-N 2.58Å; A475-R479 WeakPolarHBondContact O-CA 3.17Å; A475-R479 PolarHBondContact O-N 3.47Å; A475-Q480 PolarHBondContact O-N 3.48Å; A475-V482 HydrophobicContact CB-CG2 3.45Å; A475-V482 VanDerWaalsContact CB-CG2 3.45Å |
| 476 | N | 88.1 | Confident | 89.9 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 174 | -73 | -44.5 | 0 | 0 | 0 | 112.6 | V472 E473 V474 R478 R479 Q497 Y498 P499 Y500 | V472-N476 PolarHBondContact O-N 3.16Å; V472-N476 PolarHBondContact O-ND2 3.31Å; E473-N476 PolarHBondContact O-N 2.87Å; V474-N476 VanDerWaalsContact C-N 3.32Å; V474-N476 PolarHBondContact O-N 3.08Å; N476-R478 VanDerWaalsContact C-N 3.28Å; N476-R478 PolarHBondContact O-N 3.19Å; N476-R479 PolarHBondContact O-N 3Å; N476-Q497 PolarHBondContact ND2-O 3Å; N476-Y498 WeakPolarHBondContact ND2-CA 3.25Å; N476-Y498 WeakPolarHBondContact ND2-CD1 3.48Å; N476-P499 WeakPolarHBondContact OD1-CD 3.44Å; N476-Y500 WeakPolarHBondContact OD1-CB 3.39Å; N476-Y500 PolarHBondContact OD1-N 3.38Å |
| 477 | M | 86.9 | Confident | 90.4 | Very high | 164 Ų | 164 | 30.1 Ų | 30.1 | 81% | 0.808 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -63.9 | -36.4 | 175.6 | -64.3 | 178.7 | 69.9 | 0 | 0 | 111.9 | E473 V474 A475 | E473-M477 PolarHBondContact O-N 2.96Å; V474-M477 WeakPolarHBondContact O-CB 3.31Å; V474-M477 PolarHBondContact O-N 2.93Å; V474-M477 VanDerWaalsContact O-N 3.16Å; A475-M477 PolarHBondContact O-N 3.34Å |
| 478 | R | 87 | Confident | 90.1 | Very high | 140 Ų | 140 | 30.8 Ų | 30.8 | 53% | 0.528 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -86 | -5.1 | 178.7 | -70.4 | -74.4 | -177.9 | 145.7 | 2 | 113.9 | L448 V474 A475 N476 Q480 | L448-R478 HydrophobicContact CD1-CG 4.41Å; V474-R478 HydrophobicContact CG1-CG 4.48Å; V474-R478 PolarHBondContact O-N 3.21Å; A475-R478 CarbonylContact O-C 3.34Å; A475-R478 PolarHBondContact O-N 2.58Å; N476-R478 VanDerWaalsContact C-N 3.28Å; N476-R478 PolarHBondContact O-N 3.19Å; R478-Q480 HydrophobicContact CB-CB 4.43Å; R478-Q480 PolarHBondContact O-N 2.95Å |
| 479 | R | 89.4 | Confident | 89.5 | Confident | 76 Ų | 76 | 32.1 Ų | 32.1 | 29% | 0.287 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 37.7 | -175.4 | -57.8 | 179.3 | 172 | -107 | -7.2 | 112.8 | A475 N476 Y500 M776 A779 E780 | A475-R479 WeakPolarHBondContact O-CA 3.17Å; A475-R479 PolarHBondContact O-N 3.47Å; N476-R479 PolarHBondContact O-N 3Å; R479-Y500 HydrophobicContact CB-CD1 4.42Å; R479-Y500 HydrophobicContact CB-CE1 3.72Å; R479-Y500 HydrophobicContact CB-CE2 3.92Å; R479-Y500 VanDerWaalsContact CB-CZ 3.43Å; R479-Y500 WeakPolarHBondContact CB-OH 3.03Å; R479-Y500 HydrophobicContact CG-CE1 4.41Å; R479-Y500 HydrophobicContact CG-CE2 3.79Å; R479-Y500 WeakPolarHBondContact CG-OH 3.28Å; R479-Y500 PolarHBondContact NH1-OH 2.92Å; R479-Y500 WeakPolarHBondContact O-CE1 3.1Å; R479-M776 PolarHBondContact NH1-SD 3.38Å; R479-M776 PolarHBondContact NH2-SD 3.38Å; R479-A779 HydrophobicContact CB-CB 3.83Å; R479-E780 IonicContact CZ-OE1 3.56Å; R479-E780 IonicContact NH1-OE1 2.71Å; R479-E780 PolarHBondContact NH1-OE1 3.17Å |
| 480 | Q | 90.9 | Very high | 88.8 | Confident | 24 Ų | 24 | 32.2 Ų | 32.2 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | trans | -103.7 | 130.7 | -178.3 | -173.8 | 171.1 | 64.2 | 0 | 0 | 110 | Y444 V459 A475 R478 V482 Y500 | Y444-Q480 PolarHBondContact OH-OE1 3.43Å; V459-Q480 HydrophobicContact CG2-CG 4.25Å; A475-Q480 PolarHBondContact O-N 3.48Å; R478-Q480 HydrophobicContact CB-CB 4.43Å; R478-Q480 PolarHBondContact O-N 2.95Å; Q480-V482 PolarHBondContact O-N 3.4Å; Q480-Y500 WeakPolarHBondContact O-CB 3.39Å | ||
| 481 | I | 95.6 | Very high | 88.1 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | trans | -72.7 | 129.2 | -179.6 | -62.4 | -173.6 | 0 | 0 | 0 | 110.1 | G458 V459 V483 Y500 F502 L755 Y782 R783 V786 | G458-I481 WeakPolarHBondContact CA-O 3.48Å; V459-I481 PolarHBondContact N-O 3.33Å; I481-V483 HydrophobicContact CG2-CG2 3.88Å; I481-Y500 WeakPolarHBondContact CA-O 3.3Å; I481-Y500 HydrophobicContact CG1-CD1 4.22Å; I481-F502 HydrophobicContact CG2-CD2 3.98Å; I481-F502 HydrophobicContact CG2-CE2 4.41Å; I481-L755 HydrophobicContact CB-CD2 4.4Å; I481-L755 HydrophobicContact CG2-CD2 3.85Å; I481-Y782 HydrophobicContact CB-CE1 4.47Å; I481-Y782 HydrophobicContact CD1-CD1 3.35Å; I481-Y782 HydrophobicContact CD1-CE1 3.51Å; I481-Y782 HydrophobicContact CD1-CG 4.1Å; I481-Y782 HydrophobicContact CG1-CD1 4.06Å; I481-Y782 HydrophobicContact CG1-CE1 4.17Å; I481-R783 HydrophobicContact CD1-CB 4.41Å; I481-V786 HydrophobicContact CD1-CB 3.97Å; I481-V786 HydrophobicContact CD1-CG1 4.44Å; I481-V786 HydrophobicContact CD1-CG2 3.51Å | ||
| 482 | V | 96.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.8 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | V459 A461 I468 A475 Q480 Y500 F501 F502 | V459-V482 HydrophobicContact CB-CG2 4.14Å; V459-V482 HydrophobicContact CG2-CG2 4.44Å; V459-V482 CarbonylContact O-C 3.52Å; V459-V482 WeakPolarHBondContact O-CA 3.39Å; A461-V482 HydrophobicContact CB-CG1 3.84Å; I468-V482 HydrophobicContact CD1-CG1 4.07Å; A475-V482 HydrophobicContact CB-CG2 3.45Å; A475-V482 VanDerWaalsContact CB-CG2 3.45Å; Q480-V482 PolarHBondContact O-N 3.4Å; V482-Y500 PolarHBondContact N-O 3.17Å; V482-F501 HydrophobicContact CB-CD2 4.25Å; V482-F501 HydrophobicContact CG1-CD2 4.1Å; V482-F501 HydrophobicContact CG1-CE2 4.32Å; V482-F501 WeakPolarHBondContact O-CA 2.96Å; V482-F502 PolarHBondContact O-N 2.05Å |
| 483 | V | 96.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.6 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | V459 I460 A461 I481 F502 T504 S751 L755 | V459-V483 PolarHBondContact O-N 2.88Å; I460-V483 WeakPolarHBondContact CA-O 3.43Å; A461-V483 PolarHBondContact N-O 2.95Å; I481-V483 HydrophobicContact CG2-CG2 3.88Å; V483-F502 CarbonylContact C-O 3.54Å; V483-F502 VanDerWaalsContact CA-O 3.29Å; V483-F502 WeakPolarHBondContact CA-O 3.49Å; V483-F502 HydrophobicContact CG1-CB 4.45Å; V483-F502 HydrophobicContact CG2-CB 4.28Å; V483-T504 HydrophobicContact CG1-CG2 3.84Å; V483-S751 WeakPolarHBondContact CG1-OG 3.42Å; V483-L755 HydrophobicContact CG2-CD1 4.34Å; V483-L755 HydrophobicContact CG2-CD2 3.89Å; V483-L755 HydrophobicContact CG2-CG 4.05Å |
| 484 | S | 95.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.7 | 176 | -174 | 0 | 0 | 0 | 0 | 111.8 | A461 T486 V487 F502 R503 T504 | A461-S484 WeakPolarHBondContact O-CA 3.27Å; A461-S484 WeakPolarHBondContact O-CB 3.34Å; A461-S484 PolarHBondContact O-OG 2.89Å; S484-T486 VanDerWaalsContact C-N 3.34Å; S484-T486 PolarHBondContact OG-N 2.77Å; S484-V487 WeakPolarHBondContact OG-CB 3.46Å; S484-V487 WeakPolarHBondContact OG-CG2 3.37Å; S484-V487 PolarHBondContact OG-N 3.01Å; S484-F502 PolarHBondContact N-O 2.8Å; S484-R503 WeakPolarHBondContact O-CA 3.27Å; S484-R503 WeakPolarHBondContact O-CB 3.41Å; S484-T504 PolarHBondContact O-N 2.82Å |
| 485 | P | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -84.9 | -3.9 | 171.4 | 31.4 | -30.3 | 0 | 0 | 0 | 113.6 | I460 A461 A462 T504 V505 Y744 H747 T748 | I460-P485 HydrophobicContact CG2-CG 4.19Å; A461-P485 WeakPolarHBondContact O-CD 3.03Å; A462-P485 HydrophobicContact CB-CG 3.91Å; P485-T504 WeakPolarHBondContact CA-OG1 3.44Å; P485-V505 WeakPolarHBondContact O-CB 3.28Å; P485-Y744 VanDerWaalsContact O-CD1 3.24Å; P485-Y744 WeakPolarHBondContact O-CD1 3.48Å; P485-H747 HydrophobicContact CB-CB 3.64Å; P485-T748 WeakPolarHBondContact CB-OG1 3.5Å; P485-T748 WeakPolarHBondContact CG-OG1 2.92Å |
| 486 | T | 86.6 | Confident | 83.5 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -126.5 | -9.7 | -169 | 58.3 | 0 | 0 | 0 | 0 | 114.9 | W396 L401 A462 L463 S484 E488 Y744 | W396-T486 HydrophobicContact CH2-CG2 3.54Å; W396-T486 HydrophobicContact CZ3-CG2 4Å; L401-T486 HydrophobicContact CD1-CG2 4.12Å; A462-T486 WeakPolarHBondContact CA-OG1 3.44Å; A462-T486 HydrophobicContact CB-CG2 3.88Å; L463-T486 PolarHBondContact N-OG1 2.8Å; L463-T486 VanDerWaalsContact N-OG1 3.11Å; L463-T486 PolarHBondContact O-OG1 3.19Å; S484-T486 VanDerWaalsContact C-N 3.34Å; S484-T486 PolarHBondContact OG-N 2.77Å; T486-E488 PolarHBondContact O-N 3.19Å; T486-Y744 HydrophobicContact CG2-CD1 3.96Å; T486-Y744 HydrophobicContact CG2-CE1 4.4Å; T486-Y744 HydrophobicContact CG2-CG 4.32Å |
| 487 | V | 87.7 | Confident | 83 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -93.5 | 92.5 | -173.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | I468 S484 F492 F501 R503 | I468-V487 HydrophobicContact CD1-CG2 4.28Å; I468-V487 HydrophobicContact CG2-CG2 3.94Å; S484-V487 WeakPolarHBondContact OG-CB 3.46Å; S484-V487 WeakPolarHBondContact OG-CG2 3.37Å; S484-V487 PolarHBondContact OG-N 3.01Å; V487-F492 HydrophobicContact CG1-CD2 3.49Å; V487-F492 VanDerWaalsContact CG1-CD2 3.49Å; V487-F492 HydrophobicContact CG1-CE2 3.49Å; V487-F492 VanDerWaalsContact CG1-CE2 3.49Å; V487-F501 HydrophobicContact CB-CZ 4.1Å; V487-F501 HydrophobicContact CG1-CE1 4.48Å; V487-F501 HydrophobicContact CG1-CZ 3.9Å; V487-R503 VanDerWaalsContact O-CD 3.28Å; V487-R503 WeakPolarHBondContact O-CD 3.34Å; V487-R503 PolarHBondContact O-NH1 3.03Å; V487-R503 VanDerWaalsContact O-NH1 3.08Å | ||
| 488 | E | 79.8 | Confident | 83 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | trans | -84.8 | -21 | 179.7 | -71.2 | 167.5 | -148.5 | 0 | 0 | 113.6 | T486 R503 V505 S507 M508 I650 Y744 | T486-E488 PolarHBondContact O-N 3.19Å; E488-R503 PolarHBondContact O-NH1 3.28Å; E488-V505 HydrophobicContact CG-CB 4.33Å; E488-V505 HydrophobicContact CG-CG1 3.93Å; E488-V505 HydrophobicContact CG-CG2 3.46Å; E488-V505 VanDerWaalsContact CG-CG2 3.46Å; E488-S507 PolarHBondContact O-OG 2.77Å; E488-S507 VanDerWaalsContact O-OG 3.07Å; E488-M508 HydrophobicContact CB-CG 4.15Å; E488-M508 PolarHBondContact O-N 2.96Å; E488-I650 VanDerWaalsContact CD-CD1 3.48Å; E488-I650 WeakPolarHBondContact OE1-CD1 3.43Å; E488-I650 WeakPolarHBondContact OE2-CD1 3.31Å; E488-Y744 WeakPolarHBondContact OE1-CE1 3.4Å; E488-Y744 PolarHBondContact OE1-OH 2.99Å | ||
| 489 | S | 75.7 | Confident | 83.2 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | trans | -58.2 | 147.5 | -172.4 | 66 | 0 | 0 | 0 | 0 | 113.3 | S465 R491 R503 | S465-S489 VanDerWaalsContact CB-OG 3.23Å; S465-S489 WeakPolarHBondContact CB-OG 3.12Å; S465-S489 WeakPolarHBondContact OG-CB 3.37Å; S465-S489 PolarHBondContact OG-OG 3.28Å; S489-R491 PolarHBondContact O-N 3.28Å; S489-R503 PolarHBondContact O-NH1 3.22Å | ||
| 490 | V | 74.4 | Confident | 83.4 | Confident | 37 Ų | 37 | 30.2 Ų | 30.2 | 22% | 0.224 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -73.8 | -3.5 | 179 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | F492 A493 T509 H535 F536 | V490-F492 PolarHBondContact O-N 2.88Å; V490-F492 VanDerWaalsContact O-N 3.1Å; V490-A493 WeakPolarHBondContact O-CB 3.05Å; V490-A493 PolarHBondContact O-N 3.23Å; V490-T509 VanDerWaalsContact CG1-CA 3.5Å; V490-T509 HydrophobicContact CG1-CG2 4.31Å; V490-H535 WeakPolarHBondContact CG2-O 3.32Å; V490-F536 HydrophobicContact CG1-CB 3.7Å; V490-F536 HydrophobicContact CG2-CB 4.39Å |
| 491 | R | 73.4 | Confident | 83.6 | Confident | 80 Ų | 80 | 29.3 Ų | 29.3 | 30% | 0.302 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -57.2 | -30.4 | -174.8 | -164.2 | 171.1 | -173.8 | 156.8 | -1.6 | 113.5 | E469 S489 D534 | E469-R491 VanDerWaalsContact CD-CZ 3.48Å; E469-R491 VanDerWaalsContact CD-NE 3.31Å; E469-R491 IonicContact OE1-CZ 3.6Å; E469-R491 VanDerWaalsContact OE1-CZ 3.23Å; E469-R491 IonicContact OE1-NE 2.93Å; E469-R491 PolarHBondContact OE1-NE 3.22Å; E469-R491 IonicContact OE1-NH2 3.15Å; E469-R491 PolarHBondContact OE1-NH2 3.41Å; E469-R491 IonicContact OE2-CZ 3.1Å; E469-R491 VanDerWaalsContact OE2-CZ 3.25Å; E469-R491 IonicContact OE2-NE 2.74Å; E469-R491 IonicContact OE2-NH2 3.66Å; E469-R491 PolarHBondContact OE2-NH2 2.95Å; S489-R491 PolarHBondContact O-N 3.28Å; R491-D534 IonicContact CZ-OD1 3.55Å; R491-D534 IonicContact CZ-OD2 3.03Å; R491-D534 IonicContact NE-OD1 3.98Å; R491-D534 IonicContact NH1-OD1 2.71Å; R491-D534 PolarHBondContact NH1-OD1 2.82Å; R491-D534 IonicContact NH1-OD2 3.54Å; R491-D534 PolarHBondContact NH1-OD2 2.85Å |
| 492 | F | 80.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -99.7 | 11.4 | -178.7 | -54.9 | -77.2 | 0 | 0 | 0 | 114 | I468 E469 V472 V487 V490 K494 Y498 F501 | I468-F492 HydrophobicContact CG2-CE2 3.97Å; I468-F492 HydrophobicContact CG2-CZ 3.67Å; E469-F492 HydrophobicContact CB-CE1 4.27Å; E469-F492 HydrophobicContact CB-CZ 4.04Å; E469-F492 HydrophobicContact CG-CE1 4.33Å; E469-F492 HydrophobicContact CG-CZ 4.5Å; V472-F492 HydrophobicContact CB-CE1 4.12Å; V472-F492 HydrophobicContact CG1-CD1 4.21Å; V472-F492 HydrophobicContact CG1-CE1 4.29Å; V472-F492 HydrophobicContact CG2-CD1 4.47Å; V472-F492 HydrophobicContact CG2-CE1 4.04Å; V487-F492 HydrophobicContact CG1-CD2 3.49Å; V487-F492 VanDerWaalsContact CG1-CD2 3.49Å; V487-F492 HydrophobicContact CG1-CE2 3.49Å; V487-F492 VanDerWaalsContact CG1-CE2 3.49Å; V490-F492 PolarHBondContact O-N 2.88Å; V490-F492 VanDerWaalsContact O-N 3.1Å; F492-K494 PolarHBondContact O-N 3.06Å; F492-Y498 HydrophobicContact CB-CD2 4.31Å; F492-Y498 HydrophobicContact CD1-CD1 4.48Å; F492-Y498 HydrophobicContact CD1-CD2 4.14Å; F492-Y498 HydrophobicContact CD1-CE2 4.18Å; F492-Y498 HydrophobicContact CD1-CG 4.3Å; F492-F501 HydrophobicContact CB-CD1 3.56Å; F492-F501 HydrophobicContact CB-CE1 3.47Å; F492-F501 VanDerWaalsContact CB-CE1 3.47Å; F492-F501 HydrophobicContact CB-CZ 4.43Å; F492-F501 HydrophobicContact CD1-CD1 4.4Å; F492-F501 HydrophobicContact CD1-CE1 4.41Å; F492-F501 AromaticContact CD2-CE1 3.92Å; F492-F501 HydrophobicContact CD2-CE1 3.92Å; F492-F501 HydrophobicContact CD2-CZ 4.11Å; F492-F501 AromaticContact CG-CD1 3.97Å; F492-F501 HydrophobicContact CG-CD1 3.97Å; F492-F501 AromaticContact CG-CE1 3.67Å; F492-F501 HydrophobicContact CG-CE1 3.67Å; F492-F501 HydrophobicContact CG-CZ 4.18Å |
| 493 | A | 68.1 | Low | 83.3 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | trans | -69.3 | 1.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V490 T509 L836 A881 | V490-A493 WeakPolarHBondContact O-CB 3.05Å; V490-A493 PolarHBondContact O-N 3.23Å; A493-T509 HydrophobicContact CB-CG2 4.4Å; A493-L836 HydrophobicContact CB-CD1 4.27Å; A493-L836 VanDerWaalsContact O-CD1 3.28Å; A493-L836 WeakPolarHBondContact O-CD1 3.29Å; A493-L836 WeakPolarHBondContact O-CD2 3.35Å; A493-A881 HydrophobicContact CB-CB 3.81Å | ||
| 494 | K | 71.4 | Confident | 83 | Confident | 80 Ų | 80 | 29.2 Ų | 29.2 | 35% | 0.348 | 13% | 0.133 | S | C | . | . | trans | -102.7 | 93.9 | 179.4 | -70.2 | 174.4 | 178.1 | 176.6 | 0 | 110.7 | F492 Y496 Q497 Y498 | F492-K494 PolarHBondContact O-N 3.06Å; K494-Y496 VanDerWaalsContact C-N 3.28Å; K494-Y496 HydrophobicContact CB-CD1 4.29Å; K494-Y496 HydrophobicContact CB-CE1 3.88Å; K494-Y496 HydrophobicContact CD-CE1 4.24Å; K494-Y496 HydrophobicContact CG-CE1 4.01Å; K494-Y496 PolarHBondContact O-N 3.42Å; K494-Q497 HydrophobicContact CB-CB 4.14Å; K494-Q497 HydrophobicContact CB-CG 3.92Å; K494-Q497 HydrophobicContact CD-CG 4.45Å; K494-Q497 WeakPolarHBondContact O-CB 3.39Å; K494-Q497 PolarHBondContact O-N 3.36Å; K494-Y498 PolarHBondContact O-N 3.43Å | ||
| 495 | R | 66.5 | Low | 82.5 | Confident | 53 Ų | 53 | 29.2 Ų | 29.2 | 20% | 0.2 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.2 | -179.2 | 174.5 | 171.2 | 171.3 | -172 | 6.5 | 113.7 | Q497 Y498 P499 E784 N835 L836 | R495-Q497 PolarHBondContact O-N 3.45Å; R495-Y498 CarbonylContact O-C 3.5Å; R495-Y498 PolarHBondContact O-N 3Å; R495-Y498 VanDerWaalsContact O-N 3.16Å; R495-P499 WeakPolarHBondContact O-CA 3.24Å; R495-P499 VanDerWaalsContact O-CD 3.28Å; R495-P499 WeakPolarHBondContact O-CD 3.41Å; R495-E784 IonicContact NH2-OE1 3.42Å; R495-N835 WeakPolarHBondContact CD-O 3.33Å; R495-N835 PolarHBondContact NH1-O 3.1Å; R495-L836 HydrophobicContact CB-CD2 4.13Å |
| 496 | Y | 71.1 | Confident | 82 | Confident | 147 Ų | 147 | 29.3 Ų | 29.3 | 58% | 0.576 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.5 | 179.6 | 68 | -92.3 | 0 | 0 | 0 | 112.7 | K494 | K494-Y496 VanDerWaalsContact C-N 3.28Å; K494-Y496 HydrophobicContact CB-CD1 4.29Å; K494-Y496 HydrophobicContact CB-CE1 3.88Å; K494-Y496 HydrophobicContact CD-CE1 4.24Å; K494-Y496 HydrophobicContact CG-CE1 4.01Å; K494-Y496 PolarHBondContact O-N 3.42Å |
| 497 | Q | 78.2 | Confident | 81.8 | Confident | 79 Ų | 79 | 29 Ų | 29 | 37% | 0.369 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -36.7 | 173.6 | -58.3 | -174.1 | -15.8 | 0 | 0 | 111.3 | N476 K494 R495 P499 | N476-Q497 PolarHBondContact ND2-O 3Å; K494-Q497 HydrophobicContact CB-CB 4.14Å; K494-Q497 HydrophobicContact CB-CG 3.92Å; K494-Q497 HydrophobicContact CD-CG 4.45Å; K494-Q497 WeakPolarHBondContact O-CB 3.39Å; K494-Q497 PolarHBondContact O-N 3.36Å; R495-Q497 PolarHBondContact O-N 3.45Å; Q497-P499 VanDerWaalsContact C-CD 3.43Å; Q497-P499 WeakPolarHBondContact O-CD 3.48Å |
| 498 | Y | 87.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | trans | -125.2 | 56.7 | -173.5 | -46.8 | -68.7 | 0 | 0 | 0 | 114.9 | V472 E473 N476 F492 K494 R495 Y500 F501 | V472-Y498 HydrophobicContact CG1-CD1 3.6Å; V472-Y498 HydrophobicContact CG1-CE1 4.34Å; V472-Y498 HydrophobicContact CG1-CG 4.11Å; E473-Y498 HydrophobicContact CG-CE1 4.25Å; N476-Y498 WeakPolarHBondContact ND2-CA 3.25Å; N476-Y498 WeakPolarHBondContact ND2-CD1 3.48Å; F492-Y498 HydrophobicContact CB-CD2 4.31Å; F492-Y498 HydrophobicContact CD1-CD1 4.48Å; F492-Y498 HydrophobicContact CD1-CD2 4.14Å; F492-Y498 HydrophobicContact CD1-CE2 4.18Å; F492-Y498 HydrophobicContact CD1-CG 4.3Å; K494-Y498 PolarHBondContact O-N 3.43Å; R495-Y498 CarbonylContact O-C 3.5Å; R495-Y498 PolarHBondContact O-N 3Å; R495-Y498 VanDerWaalsContact O-N 3.16Å; Y498-Y500 PolarHBondContact O-N 3.47Å; Y498-Y500 VanDerWaalsContact O-N 3.15Å; Y498-F501 PolarHBondContact O-N 2.95Å; Y498-F501 VanDerWaalsContact O-N 3.16Å | ||
| 499 | P | 89.7 | Confident | 81.1 | Confident | 36 Ų | 36 | 29.4 Ų | 29.4 | 23% | 0.234 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.9 | -171.8 | 25.3 | -33.8 | 0 | 0 | 0 | 114.2 | N476 R495 Q497 R783 N837 | N476-P499 WeakPolarHBondContact OD1-CD 3.44Å; R495-P499 WeakPolarHBondContact O-CA 3.24Å; R495-P499 VanDerWaalsContact O-CD 3.28Å; R495-P499 WeakPolarHBondContact O-CD 3.41Å; Q497-P499 VanDerWaalsContact C-CD 3.43Å; Q497-P499 WeakPolarHBondContact O-CD 3.48Å; P499-R783 WeakPolarHBondContact O-CD 3.19Å; P499-N837 PolarHBondContact O-ND2 3.03Å |
| 500 | Y | 94.1 | Very high | 81 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 4% | 0.043 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 4.6 | 179.9 | -65.2 | -88.5 | 0 | 0 | 0 | 113.8 | N476 R479 Q480 I481 V482 Y498 A779 R783 | N476-Y500 WeakPolarHBondContact OD1-CB 3.39Å; N476-Y500 PolarHBondContact OD1-N 3.38Å; R479-Y500 HydrophobicContact CB-CD1 4.42Å; R479-Y500 HydrophobicContact CB-CE1 3.72Å; R479-Y500 HydrophobicContact CB-CE2 3.92Å; R479-Y500 VanDerWaalsContact CB-CZ 3.43Å; R479-Y500 WeakPolarHBondContact CB-OH 3.03Å; R479-Y500 HydrophobicContact CG-CE1 4.41Å; R479-Y500 HydrophobicContact CG-CE2 3.79Å; R479-Y500 WeakPolarHBondContact CG-OH 3.28Å; R479-Y500 PolarHBondContact NH1-OH 2.92Å; R479-Y500 WeakPolarHBondContact O-CE1 3.1Å; Q480-Y500 WeakPolarHBondContact O-CB 3.39Å; I481-Y500 WeakPolarHBondContact CA-O 3.3Å; I481-Y500 HydrophobicContact CG1-CD1 4.22Å; V482-Y500 PolarHBondContact N-O 3.17Å; Y498-Y500 PolarHBondContact O-N 3.47Å; Y498-Y500 VanDerWaalsContact O-N 3.15Å; Y500-A779 HydrophobicContact CE1-CB 4.46Å; Y500-R783 HydrophobicContact CD1-CB 4.38Å; Y500-R783 HydrophobicContact CD1-CG 4.37Å; Y500-R783 HydrophobicContact CE1-CB 4.11Å; Y500-R783 HydrophobicContact CE1-CG 4.41Å |
| 501 | F | 95.4 | Very high | 81.3 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.1 | 173.2 | -176.2 | -109.7 | 0 | 0 | 0 | 110.4 | I468 V472 V482 V487 F492 Y498 N837 | I468-F501 HydrophobicContact CD1-CE2 3.88Å; V472-F501 HydrophobicContact CB-CD2 4.47Å; V472-F501 HydrophobicContact CG1-CB 3.77Å; V472-F501 HydrophobicContact CG1-CD2 4.12Å; V472-F501 HydrophobicContact CG1-CG 4.07Å; V472-F501 HydrophobicContact CG2-CD2 3.47Å; V472-F501 VanDerWaalsContact CG2-CD2 3.47Å; V472-F501 HydrophobicContact CG2-CE2 3.81Å; V472-F501 HydrophobicContact CG2-CG 4.21Å; V482-F501 HydrophobicContact CB-CD2 4.25Å; V482-F501 HydrophobicContact CG1-CD2 4.1Å; V482-F501 HydrophobicContact CG1-CE2 4.32Å; V482-F501 WeakPolarHBondContact O-CA 2.96Å; V487-F501 HydrophobicContact CB-CZ 4.1Å; V487-F501 HydrophobicContact CG1-CE1 4.48Å; V487-F501 HydrophobicContact CG1-CZ 3.9Å; F492-F501 HydrophobicContact CB-CD1 3.56Å; F492-F501 HydrophobicContact CB-CE1 3.47Å; F492-F501 VanDerWaalsContact CB-CE1 3.47Å; F492-F501 HydrophobicContact CB-CZ 4.43Å; F492-F501 HydrophobicContact CD1-CD1 4.4Å; F492-F501 HydrophobicContact CD1-CE1 4.41Å; F492-F501 AromaticContact CD2-CE1 3.92Å; F492-F501 HydrophobicContact CD2-CE1 3.92Å; F492-F501 HydrophobicContact CD2-CZ 4.11Å; F492-F501 AromaticContact CG-CD1 3.97Å; F492-F501 HydrophobicContact CG-CD1 3.97Å; F492-F501 AromaticContact CG-CE1 3.67Å; F492-F501 HydrophobicContact CG-CE1 3.67Å; F492-F501 HydrophobicContact CG-CZ 4.18Å; Y498-F501 PolarHBondContact O-N 2.95Å; Y498-F501 VanDerWaalsContact O-N 3.16Å; F501-N837 WeakPolarHBondContact O-CB 3.46Å; F501-N837 PolarHBondContact O-ND2 3.09Å |
| 502 | F | 95.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156.7 | 174.9 | -70.1 | -99.5 | 0 | 0 | 0 | 109 | I481 V482 V483 S484 R783 V786 F787 F833 N837 | I481-F502 HydrophobicContact CG2-CD2 3.98Å; I481-F502 HydrophobicContact CG2-CE2 4.41Å; V482-F502 PolarHBondContact O-N 2.05Å; V483-F502 CarbonylContact C-O 3.54Å; V483-F502 VanDerWaalsContact CA-O 3.29Å; V483-F502 WeakPolarHBondContact CA-O 3.49Å; V483-F502 HydrophobicContact CG1-CB 4.45Å; V483-F502 HydrophobicContact CG2-CB 4.28Å; S484-F502 PolarHBondContact N-O 2.8Å; F502-R783 HydrophobicContact CE2-CG 4.06Å; F502-R783 HydrophobicContact CZ-CG 4.02Å; F502-V786 HydrophobicContact CD1-CG1 3.71Å; F502-V786 HydrophobicContact CD2-CG1 3.94Å; F502-V786 HydrophobicContact CE1-CB 4.48Å; F502-V786 HydrophobicContact CE1-CG1 3.7Å; F502-V786 HydrophobicContact CE2-CG1 3.92Å; F502-V786 HydrophobicContact CG-CG1 3.85Å; F502-V786 HydrophobicContact CZ-CB 4.28Å; F502-V786 HydrophobicContact CZ-CG1 3.8Å; F502-F787 HydrophobicContact CE1-CB 3.99Å; F502-F787 HydrophobicContact CZ-CB 4.22Å; F502-F833 HydrophobicContact CB-CE1 4.23Å; F502-F833 AromaticContact CD1-CD1 3.96Å; F502-F833 HydrophobicContact CD1-CD1 3.96Å; F502-F833 HydrophobicContact CD1-CD2 4.24Å; F502-F833 HydrophobicContact CD1-CE1 4.06Å; F502-F833 HydrophobicContact CD1-CE2 4.34Å; F502-F833 HydrophobicContact CD1-CG 4.05Å; F502-F833 HydrophobicContact CD1-CZ 4.25Å; F502-F833 HydrophobicContact CE1-CG 4.47Å; F502-N837 WeakPolarHBondContact CA-O 3.38Å; F502-N837 HydrophobicContact CD1-CB 3.5Å; F502-N837 HydrophobicContact CD2-CB 4.46Å; F502-N837 HydrophobicContact CE1-CB 3.64Å; F502-N837 VanDerWaalsContact CE1-CG 3.43Å; F502-N837 WeakPolarHBondContact CE1-OD1 3.47Å; F502-N837 HydrophobicContact CG-CB 3.93Å; F502-N837 HydrophobicContact CZ-CB 4.2Å |
| 503 | R | 91.3 | Very high | 81.6 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 130 | 174.2 | 52 | 178.8 | 154.3 | -170 | -2.9 | 112.7 | S484 V487 E488 S489 V505 S507 F833 N837 E838 R839 | S484-R503 WeakPolarHBondContact O-CA 3.27Å; S484-R503 WeakPolarHBondContact O-CB 3.41Å; V487-R503 VanDerWaalsContact O-CD 3.28Å; V487-R503 WeakPolarHBondContact O-CD 3.34Å; V487-R503 PolarHBondContact O-NH1 3.03Å; V487-R503 VanDerWaalsContact O-NH1 3.08Å; E488-R503 PolarHBondContact O-NH1 3.28Å; S489-R503 PolarHBondContact O-NH1 3.22Å; R503-V505 HydrophobicContact CB-CG1 4.39Å; R503-V505 WeakPolarHBondContact CG-O 3.46Å; R503-S507 PolarHBondContact NH1-OG 3.13Å; R503-S507 PolarHBondContact NH2-OG 3.35Å; R503-F833 WeakPolarHBondContact O-CE1 3.47Å; R503-N837 PolarHBondContact N-O 2.68Å; R503-E838 HydrophobicContact CG-CB 4.24Å; R503-E838 IonicContact CZ-OE1 3.22Å; R503-E838 IonicContact NE-OE1 2.67Å; R503-E838 VanDerWaalsContact NH2-CD 3.31Å; R503-E838 IonicContact NH2-OE1 2.82Å; R503-E838 PolarHBondContact NH2-OE1 3.33Å; R503-R839 PolarHBondContact O-N 2.91Å |
| 504 | T | 90.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -11 | 176.3 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | V483 S484 P485 H747 E750 S751 L831 F833 R839 | V483-T504 HydrophobicContact CG1-CG2 3.84Å; S484-T504 PolarHBondContact O-N 2.82Å; P485-T504 WeakPolarHBondContact CA-OG1 3.44Å; T504-H747 PolarHBondContact O-ND1 3.05Å; T504-H747 VanDerWaalsContact O-ND1 3.16Å; T504-H747 PolarHBondContact OG1-O 3.43Å; T504-E750 HydrophobicContact CG2-CB 4.1Å; T504-S751 PolarHBondContact OG1-OG 3.36Å; T504-L831 HydrophobicContact CG2-CD1 4.35Å; T504-L831 HydrophobicContact CG2-CD2 4.37Å; T504-F833 HydrophobicContact CG2-CZ 4.44Å; T504-R839 WeakPolarHBondContact O-CD 3.28Å; T504-R839 PolarHBondContact O-NH1 3.14Å |
| 505 | V | 84.7 | Confident | 83 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 135.6 | 160.8 | 67.7 | 0 | 0 | 0 | 0 | 109.2 | P485 E488 R503 Y744 | P485-V505 WeakPolarHBondContact O-CB 3.28Å; E488-V505 HydrophobicContact CG-CB 4.33Å; E488-V505 HydrophobicContact CG-CG1 3.93Å; E488-V505 HydrophobicContact CG-CG2 3.46Å; E488-V505 VanDerWaalsContact CG-CG2 3.46Å; R503-V505 HydrophobicContact CB-CG1 4.39Å; R503-V505 WeakPolarHBondContact CG-O 3.46Å; V505-Y744 HydrophobicContact CG2-CE1 4.39Å |
| 506 | P | 80.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 149.6 | 173.4 | -22.1 | 34.6 | 0 | 0 | 0 | 111.8 | L649 R839 A841 | P506-L649 HydrophobicContact CG-CD1 4.19Å; P506-R839 HydrophobicContact CG-CB 4.31Å; P506-R839 HydrophobicContact CG-CG 4.08Å; P506-A841 HydrophobicContact CB-CB 4.1Å; P506-A841 HydrophobicContact CG-CB 4.2Å |
| 507 | S | 82.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 147.5 | 173 | -164 | 0 | 0 | 0 | 0 | 112.1 | E488 R503 T509 W844 | E488-S507 PolarHBondContact O-OG 2.77Å; E488-S507 VanDerWaalsContact O-OG 3.07Å; R503-S507 PolarHBondContact NH1-OG 3.13Å; R503-S507 PolarHBondContact NH2-OG 3.35Å; S507-T509 VanDerWaalsContact CB-OG1 3.28Å; S507-T509 WeakPolarHBondContact CB-OG1 3.48Å; S507-T509 PolarHBondContact O-N 3.24Å; S507-T509 VanDerWaalsContact O-N 3.16Å; S507-T509 PolarHBondContact OG-N 3.2Å; S507-T509 PolarHBondContact OG-OG1 3.45Å; S507-W844 VanDerWaalsContact O-CH2 3.28Å; S507-W844 WeakPolarHBondContact O-CH2 3.41Å |
| 508 | M | 78.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 10.6 Ų | 10.6 | 2% | 0.015 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -71.8 | 4.8 | 170.8 | -67.3 | -66 | -77.2 | 0 | 0 | 114.2 | E488 H510 V511 F536 P613 W614 W844 | E488-M508 HydrophobicContact CB-CG 4.15Å; E488-M508 PolarHBondContact O-N 2.96Å; M508-H510 PolarHBondContact O-N 2.88Å; M508-H510 VanDerWaalsContact O-N 3.14Å; M508-V511 HydrophobicContact CB-CG2 4.48Å; M508-V511 HydrophobicContact CE-CB 4.29Å; M508-V511 HydrophobicContact CE-CG1 4.45Å; M508-V511 HydrophobicContact CE-CG2 3.54Å; M508-V511 WeakPolarHBondContact O-CB 3.47Å; M508-V511 PolarHBondContact O-N 2.93Å; M508-V511 HydrophobicContact SD-CG2 3.81Å; M508-F536 HydrophobicContact CB-CB 3.86Å; M508-F536 HydrophobicContact CB-CD1 4.33Å; M508-F536 HydrophobicContact CB-CG 4Å; M508-F536 HydrophobicContact CE-CD1 4.32Å; M508-F536 HydrophobicContact CE-CE1 4.09Å; M508-F536 HydrophobicContact CE-CZ 4.21Å; M508-P613 HydrophobicContact CE-CG 3.44Å; M508-P613 VanDerWaalsContact CE-CG 3.44Å; M508-P613 HydrophobicContact SD-CG 4.1Å; M508-W614 HydrophobicContact CE-CZ3 4.48Å; M508-W844 HydrophobicContact SD-CZ3 4.25Å |
| 509 | T | 74 | Confident | 84.6 | Confident | 20 Ų | 20 | 9.5 Ų | 9.5 | 12% | 0.123 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -54.9 | -34.1 | -178.1 | -37.2 | 0 | 0 | 0 | 0 | 113.5 | V490 A493 S507 | V490-T509 VanDerWaalsContact CG1-CA 3.5Å; V490-T509 HydrophobicContact CG1-CG2 4.31Å; A493-T509 HydrophobicContact CB-CG2 4.4Å; S507-T509 VanDerWaalsContact CB-OG1 3.28Å; S507-T509 WeakPolarHBondContact CB-OG1 3.48Å; S507-T509 PolarHBondContact O-N 3.24Å; S507-T509 VanDerWaalsContact O-N 3.16Å; S507-T509 PolarHBondContact OG-N 3.2Å; S507-T509 PolarHBondContact OG-OG1 3.45Å |
| 510 | H | 74.7 | Confident | 84.3 | Confident | 13 Ų | 13 | 11 Ų | 11 | 6% | 0.06 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | -79 | -15.6 | -178.4 | -56.3 | 133.2 | 0 | 0 | 0 | 114.2 | M508 S512 L513 I514 W844 M879 F893 | M508-H510 PolarHBondContact O-N 2.88Å; M508-H510 VanDerWaalsContact O-N 3.14Å; H510-S512 VanDerWaalsContact C-N 3.35Å; H510-S512 PolarHBondContact O-N 3.1Å; H510-L513 PolarHBondContact O-N 3.2Å; H510-I514 WeakPolarHBondContact O-CG1 3.37Å; H510-I514 PolarHBondContact O-N 2.91Å; H510-I514 VanDerWaalsContact O-N 3.13Å; H510-W844 HydrophobicContact CB-CH2 4.25Å; H510-W844 HydrophobicContact CB-CZ2 3.7Å; H510-W844 AromaticContact ND1-CE2 3.88Å; H510-W844 AromaticContact ND1-CZ2 3.49Å; H510-W844 WeakPolarHBondContact ND1-CZ2 3.22Å; H510-W844 AromaticContact ND1-NE1 3.86Å; H510-M879 WeakPolarHBondContact NE2-CE 3.46Å; H510-F893 HydrophobicContact CB-CZ 3.99Å; H510-F893 AromaticContact CD2-CE2 3.64Å; H510-F893 AromaticContact CD2-CZ 3.8Å; H510-F893 AromaticContact CG-CZ 3.96Å |
| 511 | V | 80.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | -175.2 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | M508 L513 I514 L515 F536 V645 W844 | M508-V511 HydrophobicContact CB-CG2 4.48Å; M508-V511 HydrophobicContact CE-CB 4.29Å; M508-V511 HydrophobicContact CE-CG1 4.45Å; M508-V511 HydrophobicContact CE-CG2 3.54Å; M508-V511 WeakPolarHBondContact O-CB 3.47Å; M508-V511 PolarHBondContact O-N 2.93Å; M508-V511 HydrophobicContact SD-CG2 3.81Å; V511-L513 VanDerWaalsContact C-N 3.26Å; V511-L513 PolarHBondContact O-N 3.26Å; V511-I514 PolarHBondContact O-N 2.9Å; V511-L515 HydrophobicContact CG1-CD1 3.78Å; V511-L515 HydrophobicContact CG1-CG 4.18Å; V511-L515 WeakPolarHBondContact O-CB 3.42Å; V511-L515 WeakPolarHBondContact O-CG 3.47Å; V511-L515 PolarHBondContact O-N 2.96Å; V511-F536 HydrophobicContact CB-CD2 4.15Å; V511-F536 HydrophobicContact CB-CE2 4.04Å; V511-F536 HydrophobicContact CG1-CD2 4.19Å; V511-F536 HydrophobicContact CG1-CE2 3.58Å; V511-F536 HydrophobicContact CG1-CZ 4.3Å; V511-V645 HydrophobicContact CG1-CB 4.02Å; V511-V645 HydrophobicContact CG1-CG1 3.93Å; V511-V645 HydrophobicContact CG2-CG1 4.2Å; V511-W844 HydrophobicContact CG2-CE3 3.87Å; V511-W844 HydrophobicContact CG2-CH2 3.97Å; V511-W844 HydrophobicContact CG2-CZ3 3.23Å |
| 512 | S | 81.3 | Confident | 83.2 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.2 | -42.4 | 175.9 | -66.2 | 0 | 0 | 0 | 0 | 112 | H510 L515 I516 F536 F542 | H510-S512 VanDerWaalsContact C-N 3.35Å; H510-S512 PolarHBondContact O-N 3.1Å; S512-L515 PolarHBondContact O-N 2.86Å; S512-I516 WeakPolarHBondContact O-CB 3.28Å; S512-I516 WeakPolarHBondContact O-CD1 3.41Å; S512-I516 WeakPolarHBondContact O-CG1 3.49Å; S512-I516 PolarHBondContact O-N 2.79Å; S512-F536 PolarHBondContact OG-O 3.44Å; S512-F542 WeakPolarHBondContact O-CZ 3.44Å |
| 513 | L | 78.5 | Confident | 82.6 | Confident | 11 Ų | 11 | 17.1 Ų | 17.1 | 6% | 0.058 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.4 | -39.2 | -179.7 | -59.7 | 165.6 | 0 | 0 | 0 | 112.4 | H510 V511 L515 I516 R517 I541 L884 F893 | H510-L513 PolarHBondContact O-N 3.2Å; V511-L513 VanDerWaalsContact C-N 3.26Å; V511-L513 PolarHBondContact O-N 3.26Å; L513-L515 VanDerWaalsContact C-N 3.33Å; L513-I516 PolarHBondContact O-N 2.83Å; L513-R517 PolarHBondContact O-N 2.79Å; L513-I541 HydrophobicContact CD2-CG2 4.5Å; L513-L884 HydrophobicContact CD1-CD2 3.27Å; L513-L884 HydrophobicContact CD2-CD2 3.65Å; L513-L884 HydrophobicContact CG-CD2 3.99Å; L513-F893 HydrophobicContact CB-CD1 3.65Å; L513-F893 HydrophobicContact CB-CE1 3.51Å; L513-F893 HydrophobicContact CB-CZ 4.48Å; L513-F893 HydrophobicContact CD1-CB 4.32Å; L513-F893 HydrophobicContact CD1-CD1 3.31Å; L513-F893 HydrophobicContact CD1-CD2 3.99Å; L513-F893 HydrophobicContact CD1-CE1 3.45Å; L513-F893 VanDerWaalsContact CD1-CE1 3.45Å; L513-F893 HydrophobicContact CD1-CE2 4.1Å; L513-F893 HydrophobicContact CD1-CG 3.6Å; L513-F893 HydrophobicContact CD1-CZ 3.85Å; L513-F893 HydrophobicContact CG-CD1 4.01Å; L513-F893 HydrophobicContact CG-CE1 4.12Å |
| 514 | I | 82 | Confident | 82.5 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.9 | -67 | 164.1 | 0 | 0 | 0 | 109.8 | H510 V511 R517 L518 V645 W844 W860 M897 | H510-I514 WeakPolarHBondContact O-CG1 3.37Å; H510-I514 PolarHBondContact O-N 2.91Å; H510-I514 VanDerWaalsContact O-N 3.13Å; V511-I514 PolarHBondContact O-N 2.9Å; I514-R517 PolarHBondContact O-N 2.85Å; I514-L518 HydrophobicContact CG2-CD1 4.27Å; I514-L518 WeakPolarHBondContact O-CG 3.41Å; I514-L518 PolarHBondContact O-N 3.35Å; I514-V645 HydrophobicContact CB-CG1 4.39Å; I514-V645 HydrophobicContact CD1-CG1 4.32Å; I514-V645 HydrophobicContact CG2-CG1 3.96Å; I514-W844 HydrophobicContact CD1-CB 3.45Å; I514-W844 VanDerWaalsContact CD1-CB 3.45Å; I514-W844 HydrophobicContact CD1-CD2 3.58Å; I514-W844 HydrophobicContact CD1-CE3 3.83Å; I514-W844 HydrophobicContact CD1-CG 3.42Å; I514-W844 VanDerWaalsContact CD1-CG 3.42Å; I514-W860 HydrophobicContact CG2-CD2 4.03Å; I514-W860 HydrophobicContact CG2-CE3 3.67Å; I514-W860 HydrophobicContact CG2-CH2 3.57Å; I514-W860 HydrophobicContact CG2-CZ2 3.89Å; I514-W860 HydrophobicContact CG2-CZ3 3.44Å; I514-W860 VanDerWaalsContact CG2-CZ3 3.44Å; I514-M897 HydrophobicContact CD1-CE 4.29Å; I514-M897 HydrophobicContact CG1-CE 4.33Å |
| 515 | L | 86.1 | Confident | 82.2 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 177.7 | -71.6 | 172 | 0 | 0 | 0 | 112.4 | V511 S512 L513 R517 L518 F519 F542 M581 F610 V645 | V511-L515 HydrophobicContact CG1-CD1 3.78Å; V511-L515 HydrophobicContact CG1-CG 4.18Å; V511-L515 WeakPolarHBondContact O-CB 3.42Å; V511-L515 WeakPolarHBondContact O-CG 3.47Å; V511-L515 PolarHBondContact O-N 2.96Å; S512-L515 PolarHBondContact O-N 2.86Å; L513-L515 VanDerWaalsContact C-N 3.33Å; L515-R517 VanDerWaalsContact C-N 3.25Å; L515-R517 PolarHBondContact O-N 3.31Å; L515-L518 HydrophobicContact CD2-CD1 4.38Å; L515-L518 PolarHBondContact O-N 2.74Å; L515-F519 HydrophobicContact CB-CZ 4.39Å; L515-F519 HydrophobicContact CD2-CE1 4.09Å; L515-F519 HydrophobicContact CD2-CZ 4.12Å; L515-F519 WeakPolarHBondContact O-CB 3.44Å; L515-F519 WeakPolarHBondContact O-CD1 3.37Å; L515-F519 WeakPolarHBondContact O-CG 3.44Å; L515-F519 PolarHBondContact O-N 2.9Å; L515-F542 HydrophobicContact CB-CE1 4.12Å; L515-F542 HydrophobicContact CB-CZ 3.84Å; L515-F542 HydrophobicContact CD1-CZ 4.42Å; L515-M581 HydrophobicContact CD1-CE 3.29Å; L515-M581 HydrophobicContact CD1-SD 4.15Å; L515-F610 HydrophobicContact CD2-CD1 3.65Å; L515-F610 HydrophobicContact CD2-CE1 3.78Å; L515-F610 HydrophobicContact CD2-CG 4.34Å; L515-V645 HydrophobicContact CD2-CG2 3.78Å; L515-V645 HydrophobicContact CG-CG2 4.38Å |
| 516 | I | 84.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.7 | -44.3 | 174.6 | -73.8 | 163.8 | 0 | 0 | 0 | 110.7 | S512 L513 S520 I541 F542 N545 I547 | S512-I516 WeakPolarHBondContact O-CB 3.28Å; S512-I516 WeakPolarHBondContact O-CD1 3.41Å; S512-I516 WeakPolarHBondContact O-CG1 3.49Å; S512-I516 PolarHBondContact O-N 2.79Å; L513-I516 PolarHBondContact O-N 2.83Å; I516-S520 VanDerWaalsContact O-CB 3.31Å; I516-S520 WeakPolarHBondContact O-CB 3.38Å; I516-S520 PolarHBondContact O-N 3.33Å; I516-S520 PolarHBondContact O-OG 3.28Å; I516-I541 HydrophobicContact CD1-CB 4.4Å; I516-I541 HydrophobicContact CD1-CG2 3.56Å; I516-F542 HydrophobicContact CD1-CD1 4.47Å; I516-F542 HydrophobicContact CD1-CD2 4Å; I516-F542 HydrophobicContact CD1-CE2 4.09Å; I516-F542 HydrophobicContact CD1-CG 4.2Å; I516-F542 HydrophobicContact CD1-CZ 4.37Å; I516-F542 HydrophobicContact CG1-CD1 3.67Å; I516-F542 HydrophobicContact CG1-CD2 4.05Å; I516-F542 HydrophobicContact CG1-CE1 3.62Å; I516-F542 HydrophobicContact CG1-CE2 4Å; I516-F542 HydrophobicContact CG1-CG 3.9Å; I516-F542 HydrophobicContact CG1-CZ 3.79Å; I516-N545 HydrophobicContact CG2-CB 3.61Å; I516-I547 HydrophobicContact CB-CD1 4.28Å; I516-I547 HydrophobicContact CG1-CD1 4.17Å; I516-I547 HydrophobicContact CG2-CD1 4.2Å |
| 517 | R | 81.2 | Confident | 82.7 | Confident | 73 Ų | 73 | 27.6 Ų | 27.6 | 28% | 0.275 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 178.6 | -174.5 | 175.2 | 177 | 172.4 | -1.2 | 112.2 | L513 I514 L515 S520 S521 A894 M897 | L513-R517 PolarHBondContact O-N 2.79Å; I514-R517 PolarHBondContact O-N 2.85Å; L515-R517 VanDerWaalsContact C-N 3.25Å; L515-R517 PolarHBondContact O-N 3.31Å; R517-S520 PolarHBondContact O-N 2.87Å; R517-S521 WeakPolarHBondContact O-CB 3.4Å; R517-S521 PolarHBondContact O-N 2.9Å; R517-S521 PolarHBondContact O-OG 2.82Å; R517-A894 PolarHBondContact NH1-O 2.88Å; R517-M897 PolarHBondContact NH1-O 3.08Å |
| 518 | L | 84.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 175.6 | -79.1 | 175.3 | 0 | 0 | 0 | 111.3 | I514 L515 S520 S521 W522 V645 L846 W860 I902 | I514-L518 HydrophobicContact CG2-CD1 4.27Å; I514-L518 WeakPolarHBondContact O-CG 3.41Å; I514-L518 PolarHBondContact O-N 3.35Å; L515-L518 HydrophobicContact CD2-CD1 4.38Å; L515-L518 PolarHBondContact O-N 2.74Å; L518-S520 VanDerWaalsContact C-N 3.31Å; L518-S520 PolarHBondContact O-N 3.21Å; L518-S521 PolarHBondContact O-N 2.82Å; L518-S521 VanDerWaalsContact O-N 3.1Å; L518-S521 PolarHBondContact O-OG 2.82Å; L518-W522 HydrophobicContact CB-CE3 4.1Å; L518-W522 HydrophobicContact CB-CH2 4.11Å; L518-W522 HydrophobicContact CB-CZ3 3.8Å; L518-W522 HydrophobicContact CD1-CH2 4.05Å; L518-W522 HydrophobicContact CD1-CZ3 4.3Å; L518-W522 HydrophobicContact CD2-CH2 3.75Å; L518-W522 HydrophobicContact CD2-CZ2 3.69Å; L518-W522 HydrophobicContact CD2-CZ3 4.3Å; L518-W522 HydrophobicContact CG-CH2 4.2Å; L518-W522 HydrophobicContact CG-CZ3 4.38Å; L518-W522 PolarHBondContact O-N 3.34Å; L518-V645 HydrophobicContact CD1-CG2 4.4Å; L518-L846 HydrophobicContact CD1-CD1 4.11Å; L518-L846 HydrophobicContact CD1-CD2 3.93Å; L518-L846 HydrophobicContact CD2-CD2 4.23Å; L518-W860 HydrophobicContact CD1-CH2 3.71Å; L518-W860 HydrophobicContact CD1-CZ2 4.26Å; L518-W860 HydrophobicContact CD2-CH2 3.62Å; L518-W860 HydrophobicContact CD2-CZ2 3.52Å; L518-W860 HydrophobicContact CG-CH2 3.74Å; L518-W860 HydrophobicContact CG-CZ2 3.77Å; L518-I902 HydrophobicContact CD2-CD1 4.19Å |
| 519 | F | 88.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | -178.1 | -65.7 | 0.4 | 0 | 0 | 0 | 110.7 | L515 S521 W522 G523 W524 V527 F542 I547 I579 M581 F610 | L515-F519 HydrophobicContact CB-CZ 4.39Å; L515-F519 HydrophobicContact CD2-CE1 4.09Å; L515-F519 HydrophobicContact CD2-CZ 4.12Å; L515-F519 WeakPolarHBondContact O-CB 3.44Å; L515-F519 WeakPolarHBondContact O-CD1 3.37Å; L515-F519 WeakPolarHBondContact O-CG 3.44Å; L515-F519 PolarHBondContact O-N 2.9Å; F519-S521 PolarHBondContact O-N 3.14Å; F519-W522 HydrophobicContact CD1-CE3 4.31Å; F519-W522 HydrophobicContact CD1-CZ3 4.34Å; F519-W522 CarbonylContact O-C 3.56Å; F519-W522 PolarHBondContact O-N 3.22Å; F519-G523 PolarHBondContact O-N 3.04Å; F519-W524 HydrophobicContact CB-CB 4.19Å; F519-W524 AromaticContact CD1-CE3 3.55Å; F519-W524 HydrophobicContact CD1-CE3 3.55Å; F519-W524 AromaticContact CD1-CZ3 3.91Å; F519-W524 HydrophobicContact CD1-CZ3 3.91Å; F519-W524 AromaticContact CE1-CE3 3.97Å; F519-W524 HydrophobicContact CE1-CE3 3.97Å; F519-W524 AromaticContact CE1-CZ3 3.97Å; F519-W524 HydrophobicContact CE1-CZ3 3.97Å; F519-W524 HydrophobicContact CG-CE3 4.11Å; F519-W524 PolarHBondContact O-N 2.91Å; F519-V527 HydrophobicContact CE2-CB 4.32Å; F519-V527 HydrophobicContact CE2-CG2 4.01Å; F519-F542 HydrophobicContact CD2-CE1 4.08Å; F519-F542 AromaticContact CE2-CE1 3.96Å; F519-F542 HydrophobicContact CE2-CE1 3.96Å; F519-I547 HydrophobicContact CB-CD1 3.8Å; F519-I547 HydrophobicContact CD2-CD1 4.16Å; F519-I547 HydrophobicContact CD2-CG2 4.42Å; F519-I547 HydrophobicContact CG-CD1 4.49Å; F519-I579 HydrophobicContact CZ-CG2 4.28Å; F519-M581 HydrophobicContact CE2-SD 4.13Å; F519-M581 HydrophobicContact CZ-CG 4.49Å; F519-M581 HydrophobicContact CZ-SD 4.16Å; F519-F610 HydrophobicContact CE1-CD2 4.19Å; F519-F610 HydrophobicContact CE1-CE1 4.34Å; F519-F610 AromaticContact CE1-CE2 3.62Å; F519-F610 HydrophobicContact CE1-CE2 3.62Å; F519-F610 AromaticContact CE1-CZ 3.74Å; F519-F610 HydrophobicContact CE1-CZ 3.74Å; F519-F610 HydrophobicContact CZ-CD2 4.14Å; F519-F610 HydrophobicContact CZ-CE2 4.02Å; F519-F610 HydrophobicContact CZ-CZ 4.46Å |
| 520 | S | 82.1 | Confident | 84.5 | Confident | 68 Ų | 68 | 26.6 Ų | 26.6 | 48% | 0.476 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 173.7 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | I516 R517 L518 W522 G523 | I516-S520 VanDerWaalsContact O-CB 3.31Å; I516-S520 WeakPolarHBondContact O-CB 3.38Å; I516-S520 PolarHBondContact O-N 3.33Å; I516-S520 PolarHBondContact O-OG 3.28Å; R517-S520 PolarHBondContact O-N 2.87Å; L518-S520 VanDerWaalsContact C-N 3.31Å; L518-S520 PolarHBondContact O-N 3.21Å; S520-W522 VanDerWaalsContact C-N 3.33Å; S520-W522 PolarHBondContact O-N 2.93Å; S520-G523 PolarHBondContact O-N 2.8Å |
| 521 | S | 80.7 | Confident | 85 | Confident | 66 Ų | 66 | 27 Ų | 27 | 46% | 0.462 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.9 | -31.6 | 179.2 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | R517 L518 F519 G523 | R517-S521 WeakPolarHBondContact O-CB 3.4Å; R517-S521 PolarHBondContact O-N 2.9Å; R517-S521 PolarHBondContact O-OG 2.82Å; L518-S521 PolarHBondContact O-N 2.82Å; L518-S521 VanDerWaalsContact O-N 3.1Å; L518-S521 PolarHBondContact O-OG 2.82Å; F519-S521 PolarHBondContact O-N 3.14Å; S521-G523 VanDerWaalsContact C-N 3.34Å |
| 522 | W | 85.7 | Confident | 84.8 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.5 | 175.8 | -60.5 | -32.8 | 0 | 0 | 0 | 113.3 | L518 F519 S520 W524 F610 L846 V905 W907 P913 | L518-W522 HydrophobicContact CB-CE3 4.1Å; L518-W522 HydrophobicContact CB-CH2 4.11Å; L518-W522 HydrophobicContact CB-CZ3 3.8Å; L518-W522 HydrophobicContact CD1-CH2 4.05Å; L518-W522 HydrophobicContact CD1-CZ3 4.3Å; L518-W522 HydrophobicContact CD2-CH2 3.75Å; L518-W522 HydrophobicContact CD2-CZ2 3.69Å; L518-W522 HydrophobicContact CD2-CZ3 4.3Å; L518-W522 HydrophobicContact CG-CH2 4.2Å; L518-W522 HydrophobicContact CG-CZ3 4.38Å; L518-W522 PolarHBondContact O-N 3.34Å; F519-W522 HydrophobicContact CD1-CE3 4.31Å; F519-W522 HydrophobicContact CD1-CZ3 4.34Å; F519-W522 CarbonylContact O-C 3.56Å; F519-W522 PolarHBondContact O-N 3.22Å; S520-W522 VanDerWaalsContact C-N 3.33Å; S520-W522 PolarHBondContact O-N 2.93Å; W522-W524 VanDerWaalsContact C-N 3.3Å; W522-W524 HydrophobicContact CB-CD2 4.14Å; W522-W524 HydrophobicContact CB-CG 4.4Å; W522-W524 HydrophobicContact CB-CZ2 4.4Å; W522-W524 HydrophobicContact CD2-CH2 4.25Å; W522-W524 HydrophobicContact CD2-CZ3 4.36Å; W522-W524 HydrophobicContact CE3-CD2 4.31Å; W522-W524 AromaticContact CE3-CE3 3.71Å; W522-W524 HydrophobicContact CE3-CE3 3.71Å; W522-W524 AromaticContact CE3-CH2 3.46Å; W522-W524 HydrophobicContact CE3-CH2 3.46Å; W522-W524 VanDerWaalsContact CE3-CH2 3.46Å; W522-W524 HydrophobicContact CE3-CZ2 4.1Å; W522-W524 AromaticContact CE3-CZ3 3.25Å; W522-W524 HydrophobicContact CE3-CZ3 3.25Å; W522-W524 HydrophobicContact CZ3-CE3 4.33Å; W522-W524 AromaticContact CZ3-CH2 3.79Å; W522-W524 HydrophobicContact CZ3-CH2 3.79Å; W522-W524 AromaticContact CZ3-CZ3 3.53Å; W522-W524 HydrophobicContact CZ3-CZ3 3.53Å; W522-W524 PolarHBondContact O-N 2.99Å; W522-F610 HydrophobicContact CH2-CZ 4.36Å; W522-F610 AromaticContact CZ3-CZ 3.86Å; W522-F610 HydrophobicContact CZ3-CZ 3.86Å; W522-L846 HydrophobicContact CH2-CD2 3.84Å; W522-L846 HydrophobicContact CZ2-CD2 4.18Å; W522-V905 HydrophobicContact CZ2-CG2 4.33Å; W522-W907 HydrophobicContact CD2-CH2 4.07Å; W522-W907 HydrophobicContact CD2-CZ2 4.08Å; W522-W907 AromaticContact CE2-CH2 3.96Å; W522-W907 AromaticContact CE2-CZ2 3.65Å; W522-W907 HydrophobicContact CE3-CH2 4.29Å; W522-W907 HydrophobicContact CG-CZ2 4.39Å; W522-W907 HydrophobicContact CH2-CH2 4.22Å; W522-W907 HydrophobicContact CZ2-CH2 4.03Å; W522-W907 AromaticContact CZ2-CZ2 3.89Å; W522-W907 HydrophobicContact CZ2-CZ2 3.89Å; W522-W907 HydrophobicContact CZ3-CH2 4.37Å; W522-W907 AromaticContact NE1-CZ2 3.79Å; W522-P913 HydrophobicContact CB-CB 3.93Å; W522-P913 HydrophobicContact CB-CG 4.08Å; W522-P913 HydrophobicContact CG-CB 4.12Å; W522-P913 HydrophobicContact CG-CG 4.33Å |
| 523 | G | 83.6 | Confident | 84.1 | Confident | 51 Ų | 51 | 34 Ų | 34 | 53% | 0.526 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F519 S520 S521 | F519-G523 PolarHBondContact O-N 3.04Å; S520-G523 PolarHBondContact O-N 2.8Å; S521-G523 VanDerWaalsContact C-N 3.34Å |
| 524 | W | 88.7 | Confident | 83 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | trans | -77 | 130 | 179.5 | -59 | -19.6 | 0 | 0 | 0 | 111.5 | F519 W522 I579 V608 F610 W907 P913 P914 D916 | F519-W524 HydrophobicContact CB-CB 4.19Å; F519-W524 AromaticContact CD1-CE3 3.55Å; F519-W524 HydrophobicContact CD1-CE3 3.55Å; F519-W524 AromaticContact CD1-CZ3 3.91Å; F519-W524 HydrophobicContact CD1-CZ3 3.91Å; F519-W524 AromaticContact CE1-CE3 3.97Å; F519-W524 HydrophobicContact CE1-CE3 3.97Å; F519-W524 AromaticContact CE1-CZ3 3.97Å; F519-W524 HydrophobicContact CE1-CZ3 3.97Å; F519-W524 HydrophobicContact CG-CE3 4.11Å; F519-W524 PolarHBondContact O-N 2.91Å; W522-W524 VanDerWaalsContact C-N 3.3Å; W522-W524 HydrophobicContact CB-CD2 4.14Å; W522-W524 HydrophobicContact CB-CG 4.4Å; W522-W524 HydrophobicContact CB-CZ2 4.4Å; W522-W524 HydrophobicContact CD2-CH2 4.25Å; W522-W524 HydrophobicContact CD2-CZ3 4.36Å; W522-W524 HydrophobicContact CE3-CD2 4.31Å; W522-W524 AromaticContact CE3-CE3 3.71Å; W522-W524 HydrophobicContact CE3-CE3 3.71Å; W522-W524 AromaticContact CE3-CH2 3.46Å; W522-W524 HydrophobicContact CE3-CH2 3.46Å; W522-W524 VanDerWaalsContact CE3-CH2 3.46Å; W522-W524 HydrophobicContact CE3-CZ2 4.1Å; W522-W524 AromaticContact CE3-CZ3 3.25Å; W522-W524 HydrophobicContact CE3-CZ3 3.25Å; W522-W524 HydrophobicContact CZ3-CE3 4.33Å; W522-W524 AromaticContact CZ3-CH2 3.79Å; W522-W524 HydrophobicContact CZ3-CH2 3.79Å; W522-W524 AromaticContact CZ3-CZ3 3.53Å; W522-W524 HydrophobicContact CZ3-CZ3 3.53Å; W522-W524 PolarHBondContact O-N 2.99Å; W524-I579 HydrophobicContact CD2-CD1 3.64Å; W524-I579 HydrophobicContact CD2-CG1 3.72Å; W524-I579 HydrophobicContact CE3-CB 4.44Å; W524-I579 HydrophobicContact CE3-CD1 3.82Å; W524-I579 HydrophobicContact CE3-CG1 3.83Å; W524-I579 HydrophobicContact CE3-CG2 3.76Å; W524-I579 HydrophobicContact CG-CD1 4.3Å; W524-I579 HydrophobicContact CG-CG1 4.04Å; W524-I579 HydrophobicContact CH2-CD1 3.84Å; W524-I579 HydrophobicContact CZ2-CD1 3.63Å; W524-I579 HydrophobicContact CZ3-CD1 3.91Å; W524-I579 HydrophobicContact CZ3-CG1 4.33Å; W524-I579 HydrophobicContact CZ3-CG2 3.88Å; W524-V608 HydrophobicContact CH2-CB 4.15Å; W524-V608 HydrophobicContact CH2-CG1 4.01Å; W524-V608 HydrophobicContact CH2-CG2 3.89Å; W524-V608 HydrophobicContact CZ2-CG2 4.13Å; W524-V608 HydrophobicContact CZ3-CG1 4.44Å; W524-F610 AromaticContact CZ3-CE2 3.97Å; W524-F610 HydrophobicContact CZ3-CE2 3.97Å; W524-F610 HydrophobicContact CZ3-CZ 4.25Å; W524-W907 AromaticContact CH2-CH2 3.82Å; W524-W907 HydrophobicContact CH2-CH2 3.82Å; W524-W907 HydrophobicContact CH2-CZ3 4.07Å; W524-W907 AromaticContact CZ2-CH2 3.97Å; W524-W907 HydrophobicContact CZ2-CH2 3.97Å; W524-W907 HydrophobicContact CZ2-CZ3 4.11Å; W524-P913 HydrophobicContact CZ2-CB 3.96Å; W524-P914 HydrophobicContact CZ2-CG 4.3Å; W524-P914 PolarHBondContact NE1-O 3.48Å; W524-D916 HydrophobicContact CB-CB 4.11Å; W524-D916 HydrophobicContact CG-CB 4.09Å | ||
| 525 | R | 84.4 | Confident | 82.2 | Confident | 153 Ų | 153 | 39.5 Ų | 39.5 | 58% | 0.577 | 20% | 0.204 | S | C | * | . | trans | -121.3 | -5.8 | 177.1 | -61.4 | -172.4 | -179.3 | -149.1 | 0.2 | 112.8 | I547 D548 D916 | R525-I547 CarbonylContact O-C 3.57Å; R525-I547 WeakPolarHBondContact O-CA 3.22Å; R525-D548 PolarHBondContact O-N 3.04Å; R525-D916 WeakPolarHBondContact CA-OD2 3.49Å; R525-D916 PolarHBondContact N-OD2 2.99Å | ||
| 526 | R | 87.1 | Confident | 81.3 | Confident | 61 Ų | 61 | 40.3 Ų | 40.3 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.3 | -177.7 | -65.4 | 174.9 | 62.5 | 146.8 | -8.4 | 110.8 | D548 I550 R575 D916 | R526-D548 WeakPolarHBondContact CA-O 3.43Å; R526-I550 HydrophobicContact CB-CD1 4.29Å; R526-I550 HydrophobicContact CB-CG2 4.12Å; R526-I550 HydrophobicContact CG-CG2 4.12Å; R526-R575 PolarHBondContact NH2-O 2.91Å; R526-D916 PolarHBondContact N-OD2 2.81Å |
| 527 | V | 89.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.9 | 177.7 | 68.2 | 0 | 0 | 0 | 0 | 112 | F519 I547 D548 L549 I550 I579 M581 | F519-V527 HydrophobicContact CE2-CB 4.32Å; F519-V527 HydrophobicContact CE2-CG2 4.01Å; V527-I547 HydrophobicContact CB-CG2 4.45Å; V527-I547 HydrophobicContact CG1-CG2 3.8Å; V527-D548 PolarHBondContact N-O 3.23Å; V527-D548 VanDerWaalsContact N-O 3.08Å; V527-L549 HydrophobicContact CG1-CD1 3.54Å; V527-L549 HydrophobicContact CG1-CG 4.41Å; V527-L549 WeakPolarHBondContact O-CA 3.21Å; V527-I550 WeakPolarHBondContact O-CG1 3.32Å; V527-I550 PolarHBondContact O-N 2.81Å; V527-I550 VanDerWaalsContact O-N 3.13Å; V527-I579 HydrophobicContact CG2-CB 4.41Å; V527-I579 HydrophobicContact CG2-CG2 4.09Å; V527-M581 HydrophobicContact CG2-CG 3.96Å; V527-M581 HydrophobicContact CG2-SD 4.23Å |
| 528 | A | 90.5 | Very high | 80.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I550 M572 I579 F580 M581 | A528-I550 HydrophobicContact CB-CG1 4.32Å; A528-M572 HydrophobicContact CB-CE 3.48Å; A528-M572 VanDerWaalsContact CB-CE 3.48Å; A528-I579 PolarHBondContact N-O 3.31Å; A528-F580 HydrophobicContact CB-CD1 3.59Å; A528-F580 HydrophobicContact CB-CE1 3.57Å; A528-F580 HydrophobicContact CB-CG 4.34Å; A528-F580 HydrophobicContact CB-CZ 4.29Å; A528-F580 CarbonylContact O-C 3.59Å; A528-F580 VanDerWaalsContact O-CA 3.29Å; A528-F580 WeakPolarHBondContact O-CA 3.32Å; A528-M581 PolarHBondContact O-N 3.31Å |
| 529 | V | 90.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.9 | -176.2 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | R531 F537 L549 A551 F553 M581 | V529-R531 HydrophobicContact CG1-CB 4.13Å; V529-R531 HydrophobicContact CG1-CG 4.05Å; V529-F537 HydrophobicContact CG2-CD1 4.4Å; V529-F537 HydrophobicContact CG2-CE1 3.97Å; V529-F537 HydrophobicContact CG2-CE2 4.26Å; V529-F537 HydrophobicContact CG2-CZ 3.93Å; V529-L549 HydrophobicContact CB-CD2 4.27Å; V529-L549 HydrophobicContact CG2-CD1 3.88Å; V529-L549 HydrophobicContact CG2-CD2 3.91Å; V529-L549 HydrophobicContact CG2-CG 4.06Å; V529-A551 PolarHBondContact N-O 2.64Å; V529-F553 PolarHBondContact O-N 2.94Å; V529-M581 HydrophobicContact CG1-CB 4.29Å; V529-M581 HydrophobicContact CG2-CB 4.24Å; V529-M581 HydrophobicContact CG2-SD 4.49Å |
| 530 | F | 90.2 | Very high | 78.9 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.2 | 168.5 | -78.8 | -85 | 0 | 0 | 0 | 108.5 | F553 V565 A568 L569 F580 M581 V582 E583 Y584 I592 | F530-F553 HydrophobicContact CD1-CB 3.65Å; F530-F553 HydrophobicContact CD1-CD2 4.13Å; F530-F553 HydrophobicContact CD1-CG 4.09Å; F530-F553 HydrophobicContact CD2-CD2 4.46Å; F530-F553 HydrophobicContact CE1-CB 3.85Å; F530-F553 AromaticContact CE1-CD2 3.72Å; F530-F553 HydrophobicContact CE1-CD2 3.72Å; F530-F553 HydrophobicContact CE1-CE2 4.4Å; F530-F553 AromaticContact CE1-CG 3.78Å; F530-F553 HydrophobicContact CE1-CG 3.78Å; F530-F553 HydrophobicContact CE2-CD2 4.08Å; F530-F553 HydrophobicContact CE2-CE2 4.47Å; F530-F553 HydrophobicContact CG-CB 4.3Å; F530-F553 HydrophobicContact CG-CD2 4.48Å; F530-F553 AromaticContact CZ-CD2 3.7Å; F530-F553 HydrophobicContact CZ-CD2 3.7Å; F530-F553 HydrophobicContact CZ-CE2 4.03Å; F530-F553 HydrophobicContact CZ-CG 4.23Å; F530-V565 HydrophobicContact CE1-CG1 4.36Å; F530-A568 HydrophobicContact CE1-CB 4.2Å; F530-A568 HydrophobicContact CZ-CB 4.25Å; F530-L569 HydrophobicContact CE2-CD2 3.59Å; F530-L569 HydrophobicContact CE2-CG 4.5Å; F530-L569 HydrophobicContact CZ-CD2 3.62Å; F530-L569 HydrophobicContact CZ-CG 4.08Å; F530-F580 HydrophobicContact CD2-CD1 4.43Å; F530-F580 HydrophobicContact CE2-CD1 4.05Å; F530-F580 HydrophobicContact CE2-CE1 4.31Å; F530-M581 PolarHBondContact N-O 3.28Å; F530-V582 HydrophobicContact CB-CG2 4.49Å; F530-V582 CarbonylContact O-C 3.53Å; F530-V582 WeakPolarHBondContact O-CA 3.42Å; F530-E583 PolarHBondContact O-N 3.18Å; F530-Y584 HydrophobicContact CB-CD2 4.26Å; F530-Y584 HydrophobicContact CB-CE2 3.92Å; F530-I592 HydrophobicContact CB-CD1 3.83Å; F530-I592 HydrophobicContact CD1-CD1 4.16Å; F530-I592 HydrophobicContact CD1-CG1 4.48Å; F530-I592 HydrophobicContact CD2-CG2 4.32Å; F530-I592 HydrophobicContact CG-CD1 4.06Å; F530-I592 HydrophobicContact CG-CG2 4.49Å |
| 531 | R | 86.7 | Confident | 78.5 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161.9 | -172.7 | 60.4 | 175 | -173.8 | 84.5 | -10.9 | 113.4 | V529 H535 D552 F553 V554 M555 E583 Y584 | V529-R531 HydrophobicContact CG1-CB 4.13Å; V529-R531 HydrophobicContact CG1-CG 4.05Å; R531-H535 HydrophobicContact CB-CB 4.43Å; R531-H535 VanDerWaalsContact CD-CE1 3.4Å; R531-H535 WeakPolarHBondContact CD-CE1 3.33Å; R531-H535 VanDerWaalsContact CD-ND1 3.32Å; R531-H535 WeakPolarHBondContact CD-ND1 3.04Å; R531-H535 PolarHBondContact NE-CE1 3.16Å; R531-H535 VanDerWaalsContact NE-CE1 3.35Å; R531-H535 PolarHBondContact NH1-CD2 3.24Å; R531-H535 PolarHBondContact NH1-NE2 3.16Å; R531-D552 IonicContact CZ-OD1 2.63Å; R531-D552 VanDerWaalsContact CZ-OD1 3.29Å; R531-D552 IonicContact CZ-OD2 3.11Å; R531-D552 IonicContact NE-OD1 3.14Å; R531-D552 PolarHBondContact NE-OD1 2.92Å; R531-D552 IonicContact NE-OD2 3.23Å; R531-D552 IonicContact NH2-OD1 3.45Å; R531-D552 PolarHBondContact NH2-OD1 3.44Å; R531-D552 IonicContact NH2-OD2 3.33Å; R531-D552 PolarHBondContact NH2-OD2 3.31Å; R531-F553 PolarHBondContact N-O 3.38Å; R531-F553 VanDerWaalsContact O-O 3.08Å; R531-V554 HydrophobicContact CG-CG2 4.35Å; R531-V554 VanDerWaalsContact NH2-CG2 3.28Å; R531-V554 WeakPolarHBondContact O-CA 3.34Å; R531-M555 PolarHBondContact O-N 2.94Å; R531-M555 VanDerWaalsContact O-N 3.16Å; R531-E583 HydrophobicContact CB-CB 3.83Å; R531-E583 WeakPolarHBondContact CB-OE2 3.43Å; R531-Y584 VanDerWaalsContact C-CZ 3.42Å; R531-Y584 VanDerWaalsContact N-CE2 3.34Å; R531-Y584 PolarHBondContact O-OH 3.23Å |
| 532 | E | 76.5 | Confident | 78.4 | Confident | 53 Ų | 53 | 40.4 Ų | 40.4 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | trans | -85.1 | 176.4 | 167.1 | -162.4 | 155.5 | -143.4 | 0 | 0 | 111.4 | D534 H535 K556 E557 Y584 | E532-D534 PolarHBondContact O-N 3.48Å; E532-H535 PolarHBondContact O-CD2 3.14Å; E532-K556 WeakPolarHBondContact OE1-CA 3.38Å; E532-E557 PolarHBondContact OE1-N 3.37Å; E532-Y584 HydrophobicContact CB-CE1 4.12Å | ||
| 533 | D | 65 | Low | 78.2 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -62.7 | -27.6 | 179 | -65.6 | -32.3 | 0 | 0 | 0 | 112.6 | V554 | D533-V554 WeakPolarHBondContact OD1-CG1 3.19Š|
| 534 | D | 56.4 | Low | 77.7 | Confident | 88 Ų | 88 | 43.5 Ų | 43.5 | 47% | 0.471 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -109.2 | 104.8 | -178.8 | -94.8 | -49.4 | 0 | 0 | 0 | 110.6 | R491 E532 | R491-D534 IonicContact CZ-OD1 3.55Å; R491-D534 IonicContact CZ-OD2 3.03Å; R491-D534 IonicContact NE-OD1 3.98Å; R491-D534 IonicContact NH1-OD1 2.71Å; R491-D534 PolarHBondContact NH1-OD1 2.82Å; R491-D534 IonicContact NH1-OD2 3.54Å; R491-D534 PolarHBondContact NH1-OD2 2.85Å; E532-D534 PolarHBondContact O-N 3.48Å |
| 535 | H | 64.5 | Low | 77.1 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | trans | -149.6 | 165.3 | -171.1 | 64.8 | 105.4 | 0 | 0 | 0 | 112.8 | V490 R531 E532 F537 E583 | V490-H535 WeakPolarHBondContact CG2-O 3.32Å; R531-H535 HydrophobicContact CB-CB 4.43Å; R531-H535 VanDerWaalsContact CD-CE1 3.4Å; R531-H535 WeakPolarHBondContact CD-CE1 3.33Å; R531-H535 VanDerWaalsContact CD-ND1 3.32Å; R531-H535 WeakPolarHBondContact CD-ND1 3.04Å; R531-H535 PolarHBondContact NE-CE1 3.16Å; R531-H535 VanDerWaalsContact NE-CE1 3.35Å; R531-H535 PolarHBondContact NH1-CD2 3.24Å; R531-H535 PolarHBondContact NH1-NE2 3.16Å; E532-H535 PolarHBondContact O-CD2 3.14Å; H535-F537 PolarHBondContact CE1-O 2.92Å; H535-F537 PolarHBondContact ND1-O 3.3Å; H535-E583 VanDerWaalsContact CB-OE2 3.23Å; H535-E583 WeakPolarHBondContact CB-OE2 3.35Å; H535-E583 IonicContact CG-OE2 3.05Å; H535-E583 IonicContact ND1-OE2 3.72Å; H535-E583 PolarHBondContact ND1-OE2 3.15Å | ||
| 536 | F | 66.5 | Low | 76.8 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -93.3 | -22.3 | -177.6 | 63.3 | -96.4 | 0 | 0 | 0 | 113.3 | V490 M508 V511 S512 E583 N612 W614 | V490-F536 HydrophobicContact CG1-CB 3.7Å; V490-F536 HydrophobicContact CG2-CB 4.39Å; M508-F536 HydrophobicContact CB-CB 3.86Å; M508-F536 HydrophobicContact CB-CD1 4.33Å; M508-F536 HydrophobicContact CB-CG 4Å; M508-F536 HydrophobicContact CE-CD1 4.32Å; M508-F536 HydrophobicContact CE-CE1 4.09Å; M508-F536 HydrophobicContact CE-CZ 4.21Å; V511-F536 HydrophobicContact CB-CD2 4.15Å; V511-F536 HydrophobicContact CB-CE2 4.04Å; V511-F536 HydrophobicContact CG1-CD2 4.19Å; V511-F536 HydrophobicContact CG1-CE2 3.58Å; V511-F536 HydrophobicContact CG1-CZ 4.3Å; S512-F536 PolarHBondContact OG-O 3.44Å; F536-E583 VanDerWaalsContact CD1-OE1 3.3Å; F536-E583 WeakPolarHBondContact CD1-OE1 3.39Å; F536-E583 WeakPolarHBondContact CD2-OE1 3.11Å; F536-E583 HydrophobicContact CE1-CG 3.99Å; F536-E583 VanDerWaalsContact CE1-OE1 3.23Å; F536-E583 WeakPolarHBondContact CE1-OE1 3.38Å; F536-E583 WeakPolarHBondContact CE2-OE1 3.39Å; F536-E583 WeakPolarHBondContact CG-OE1 3.44Å; F536-E583 HydrophobicContact CZ-CG 4.05Å; F536-E583 VanDerWaalsContact CZ-OE1 3.27Å; F536-E583 WeakPolarHBondContact CZ-OE1 3.4Å; F536-E583 PolarHBondContact N-OE1 3.42Å; F536-N612 WeakPolarHBondContact CE1-OD1 3.35Å; F536-W614 HydrophobicContact CE1-CH2 4.26Å; F536-W614 HydrophobicContact CE1-CZ3 4.41Å |
| 537 | F | 70.6 | Confident | 76.6 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | trans | -63.6 | 132.8 | 172.9 | -174.2 | -93.6 | 0 | 0 | 0 | 111.4 | V529 H535 P539 F542 L549 M581 E583 | V529-F537 HydrophobicContact CG2-CD1 4.4Å; V529-F537 HydrophobicContact CG2-CE1 3.97Å; V529-F537 HydrophobicContact CG2-CE2 4.26Å; V529-F537 HydrophobicContact CG2-CZ 3.93Å; H535-F537 PolarHBondContact CE1-O 2.92Å; H535-F537 PolarHBondContact ND1-O 3.3Å; F537-P539 HydrophobicContact CD1-CG 3.96Å; F537-P539 HydrophobicContact CE1-CB 4.12Å; F537-P539 HydrophobicContact CE1-CG 3.91Å; F537-F542 AromaticContact CD2-CD2 3.84Å; F537-F542 HydrophobicContact CD2-CD2 3.84Å; F537-F542 HydrophobicContact CD2-CE1 4.36Å; F537-F542 AromaticContact CD2-CE2 3.33Å; F537-F542 HydrophobicContact CD2-CE2 3.33Å; F537-F542 AromaticContact CD2-CZ 3.63Å; F537-F542 HydrophobicContact CD2-CZ 3.63Å; F537-F542 HydrophobicContact CE1-CD2 4.11Å; F537-F542 HydrophobicContact CE1-CG 4.41Å; F537-F542 AromaticContact CE2-CD1 3.65Å; F537-F542 HydrophobicContact CE2-CD1 3.65Å; F537-F542 AromaticContact CE2-CD2 3.23Å; F537-F542 HydrophobicContact CE2-CD2 3.23Å; F537-F542 AromaticContact CE2-CE1 3.49Å; F537-F542 HydrophobicContact CE2-CE1 3.49Å; F537-F542 VanDerWaalsContact CE2-CE1 3.49Å; F537-F542 AromaticContact CE2-CE2 3.04Å; F537-F542 HydrophobicContact CE2-CE2 3.04Å; F537-F542 AromaticContact CE2-CG 3.54Å; F537-F542 HydrophobicContact CE2-CG 3.54Å; F537-F542 AromaticContact CE2-CZ 3.17Å; F537-F542 HydrophobicContact CE2-CZ 3.17Å; F537-F542 HydrophobicContact CG-CE2 4.23Å; F537-F542 HydrophobicContact CZ-CB 3.94Å; F537-F542 AromaticContact CZ-CD1 3.82Å; F537-F542 HydrophobicContact CZ-CD1 3.82Å; F537-F542 AromaticContact CZ-CD2 3.32Å; F537-F542 HydrophobicContact CZ-CD2 3.32Å; F537-F542 HydrophobicContact CZ-CE1 4.15Å; F537-F542 AromaticContact CZ-CE2 3.69Å; F537-F542 HydrophobicContact CZ-CE2 3.69Å; F537-F542 AromaticContact CZ-CG 3.4Å; F537-F542 HydrophobicContact CZ-CG 3.4Å; F537-F542 HydrophobicContact CZ-CZ 4.09Å; F537-L549 HydrophobicContact CE1-CD1 3.43Å; F537-L549 VanDerWaalsContact CE1-CD1 3.43Å; F537-L549 HydrophobicContact CE1-CD2 3.95Å; F537-L549 HydrophobicContact CE1-CG 4.34Å; F537-L549 HydrophobicContact CE2-CD1 4.45Å; F537-L549 HydrophobicContact CZ-CD1 3.24Å; F537-L549 HydrophobicContact CZ-CG 4.49Å; F537-M581 HydrophobicContact CD2-CE 3.6Å; F537-M581 HydrophobicContact CD2-SD 3.79Å; F537-M581 HydrophobicContact CE2-CE 4.02Å; F537-M581 HydrophobicContact CE2-SD 3.55Å; F537-M581 VanDerWaalsContact CE2-SD 3.55Å; F537-E583 WeakPolarHBondContact CB-OE1 3.41Å; F537-E583 WeakPolarHBondContact CB-OE2 3.44Å; F537-E583 PolarHBondContact N-OE1 3.23Å | ||
| 538 | D | 71.9 | Confident | 76.3 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | trans | -113.5 | 106.9 | 170.7 | -173.3 | -16.6 | 0 | 0 | 0 | 108.8 | L540 I541 F542 | D538-L540 PolarHBondContact O-N 3.27Å; D538-L540 VanDerWaalsContact O-N 3.11Å; D538-L540 WeakPolarHBondContact OD1-CB 3.47Å; D538-L540 PolarHBondContact OD1-N 3.47Å; D538-I541 HydrophobicContact CB-CB 4.28Å; D538-I541 HydrophobicContact CB-CD1 3.8Å; D538-I541 HydrophobicContact CB-CG1 3.83Å; D538-I541 PolarHBondContact O-N 3.32Å; D538-F542 WeakPolarHBondContact O-CD2 3.48Å; D538-F542 PolarHBondContact O-N 3.45Å | ||
| 539 | P | 73.4 | Confident | 76 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 16% | 0.156 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.2 | -32.7 | -179.7 | -25.1 | 33.2 | 0 | 0 | 0 | 113.3 | F537 F542 Q543 L549 | F537-P539 HydrophobicContact CD1-CG 3.96Å; F537-P539 HydrophobicContact CE1-CB 4.12Å; F537-P539 HydrophobicContact CE1-CG 3.91Å; P539-F542 PolarHBondContact O-N 3.2Å; P539-Q543 WeakPolarHBondContact O-CB 3.18Å; P539-Q543 VanDerWaalsContact O-CG 3.26Å; P539-Q543 WeakPolarHBondContact O-CG 3.48Å; P539-Q543 PolarHBondContact O-N 3.15Å; P539-L549 HydrophobicContact CB-CD2 4.24Å; P539-L549 HydrophobicContact CG-CD2 4.42Å |
| 540 | L | 72.1 | Confident | 75.6 | Confident | 118 Ų | 118 | 43.2 Ų | 43.2 | 62% | 0.618 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67.1 | -38 | -179 | -68.8 | 163 | 0 | 0 | 0 | 111.5 | D538 S544 | D538-L540 PolarHBondContact O-N 3.27Å; D538-L540 VanDerWaalsContact O-N 3.11Å; D538-L540 WeakPolarHBondContact OD1-CB 3.47Å; D538-L540 PolarHBondContact OD1-N 3.47Å; L540-S544 WeakPolarHBondContact O-CB 3.34Å; L540-S544 PolarHBondContact O-N 3.28Å; L540-S544 PolarHBondContact O-OG 2.87Å |
| 541 | I | 73.5 | Confident | 75.3 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.087 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.2 | -37 | -179.7 | -56.7 | -179.4 | 0 | 0 | 0 | 110.4 | L513 I516 D538 S544 N545 T885 | L513-I541 HydrophobicContact CD2-CG2 4.5Å; I516-I541 HydrophobicContact CD1-CB 4.4Å; I516-I541 HydrophobicContact CD1-CG2 3.56Å; D538-I541 HydrophobicContact CB-CB 4.28Å; D538-I541 HydrophobicContact CB-CD1 3.8Å; D538-I541 HydrophobicContact CB-CG1 3.83Å; D538-I541 PolarHBondContact O-N 3.32Å; I541-S544 WeakPolarHBondContact CA-OG 3.09Å; I541-S544 PolarHBondContact O-OG 2.95Å; I541-N545 PolarHBondContact O-N 3.19Å; I541-N545 PolarHBondContact O-ND2 3.03Å; I541-T885 HydrophobicContact CD1-CG2 4.34Å; I541-T885 HydrophobicContact CG1-CG2 4.15Å |
| 542 | F | 80.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 174.8 | -80.6 | -104.1 | 0 | 0 | 0 | 111.4 | S512 L515 I516 F519 F537 D538 P539 S544 N545 G546 I547 | S512-F542 WeakPolarHBondContact O-CZ 3.44Å; L515-F542 HydrophobicContact CB-CE1 4.12Å; L515-F542 HydrophobicContact CB-CZ 3.84Å; L515-F542 HydrophobicContact CD1-CZ 4.42Å; I516-F542 HydrophobicContact CD1-CD1 4.47Å; I516-F542 HydrophobicContact CD1-CD2 4Å; I516-F542 HydrophobicContact CD1-CE2 4.09Å; I516-F542 HydrophobicContact CD1-CG 4.2Å; I516-F542 HydrophobicContact CD1-CZ 4.37Å; I516-F542 HydrophobicContact CG1-CD1 3.67Å; I516-F542 HydrophobicContact CG1-CD2 4.05Å; I516-F542 HydrophobicContact CG1-CE1 3.62Å; I516-F542 HydrophobicContact CG1-CE2 4Å; I516-F542 HydrophobicContact CG1-CG 3.9Å; I516-F542 HydrophobicContact CG1-CZ 3.79Å; F519-F542 HydrophobicContact CD2-CE1 4.08Å; F519-F542 AromaticContact CE2-CE1 3.96Å; F519-F542 HydrophobicContact CE2-CE1 3.96Å; F537-F542 AromaticContact CD2-CD2 3.84Å; F537-F542 HydrophobicContact CD2-CD2 3.84Å; F537-F542 HydrophobicContact CD2-CE1 4.36Å; F537-F542 AromaticContact CD2-CE2 3.33Å; F537-F542 HydrophobicContact CD2-CE2 3.33Å; F537-F542 AromaticContact CD2-CZ 3.63Å; F537-F542 HydrophobicContact CD2-CZ 3.63Å; F537-F542 HydrophobicContact CE1-CD2 4.11Å; F537-F542 HydrophobicContact CE1-CG 4.41Å; F537-F542 AromaticContact CE2-CD1 3.65Å; F537-F542 HydrophobicContact CE2-CD1 3.65Å; F537-F542 AromaticContact CE2-CD2 3.23Å; F537-F542 HydrophobicContact CE2-CD2 3.23Å; F537-F542 AromaticContact CE2-CE1 3.49Å; F537-F542 HydrophobicContact CE2-CE1 3.49Å; F537-F542 VanDerWaalsContact CE2-CE1 3.49Å; F537-F542 AromaticContact CE2-CE2 3.04Å; F537-F542 HydrophobicContact CE2-CE2 3.04Å; F537-F542 AromaticContact CE2-CG 3.54Å; F537-F542 HydrophobicContact CE2-CG 3.54Å; F537-F542 AromaticContact CE2-CZ 3.17Å; F537-F542 HydrophobicContact CE2-CZ 3.17Å; F537-F542 HydrophobicContact CG-CE2 4.23Å; F537-F542 HydrophobicContact CZ-CB 3.94Å; F537-F542 AromaticContact CZ-CD1 3.82Å; F537-F542 HydrophobicContact CZ-CD1 3.82Å; F537-F542 AromaticContact CZ-CD2 3.32Å; F537-F542 HydrophobicContact CZ-CD2 3.32Å; F537-F542 HydrophobicContact CZ-CE1 4.15Å; F537-F542 AromaticContact CZ-CE2 3.69Å; F537-F542 HydrophobicContact CZ-CE2 3.69Å; F537-F542 AromaticContact CZ-CG 3.4Å; F537-F542 HydrophobicContact CZ-CG 3.4Å; F537-F542 HydrophobicContact CZ-CZ 4.09Å; D538-F542 WeakPolarHBondContact O-CD2 3.48Å; D538-F542 PolarHBondContact O-N 3.45Å; P539-F542 PolarHBondContact O-N 3.2Å; F542-S544 VanDerWaalsContact C-N 3.34Å; F542-S544 PolarHBondContact O-N 3.2Å; F542-N545 CarbonylContact O-C 3.51Å; F542-N545 PolarHBondContact O-N 3.47Å; F542-N545 VanDerWaalsContact O-N 3.1Å; F542-G546 PolarHBondContact O-N 3.32Å; F542-I547 CarbonylContact C-O 3.43Å; F542-I547 VanDerWaalsContact C-O 3.3Å; F542-I547 HydrophobicContact CB-CB 4.35Å; F542-I547 HydrophobicContact CD1-CB 4.33Å; F542-I547 HydrophobicContact CD1-CD1 4.04Å; F542-I547 HydrophobicContact CD1-CG2 4.11Å; F542-I547 PolarHBondContact O-N 3.3Å |
| 543 | Q | 80.3 | Confident | 75.7 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 177.6 | -72.7 | 173.4 | -12.9 | 0 | 0 | 112.4 | P539 N545 G546 I547 | P539-Q543 WeakPolarHBondContact O-CB 3.18Å; P539-Q543 VanDerWaalsContact O-CG 3.26Å; P539-Q543 WeakPolarHBondContact O-CG 3.48Å; P539-Q543 PolarHBondContact O-N 3.15Å; Q543-N545 PolarHBondContact O-N 3.02Å; Q543-G546 PolarHBondContact O-N 2.88Å; Q543-G546 VanDerWaalsContact O-N 3.17Å; Q543-I547 WeakPolarHBondContact CA-O 3.16Å; Q543-I547 PolarHBondContact N-O 3.04Å |
| 544 | S | 74.1 | Confident | 76.7 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.4 | -25.2 | 177.6 | 67.5 | 0 | 0 | 0 | 0 | 113 | L540 I541 F542 L887 | L540-S544 WeakPolarHBondContact O-CB 3.34Å; L540-S544 PolarHBondContact O-N 3.28Å; L540-S544 PolarHBondContact O-OG 2.87Å; I541-S544 WeakPolarHBondContact CA-OG 3.09Å; I541-S544 PolarHBondContact O-OG 2.95Å; F542-S544 VanDerWaalsContact C-N 3.34Å; F542-S544 PolarHBondContact O-N 3.2Å; S544-L887 VanDerWaalsContact O-CD1 3.28Å; S544-L887 WeakPolarHBondContact O-CD1 3.36Å |
| 545 | N | 74.7 | Confident | 77.9 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 18.1 | 177.7 | -69.7 | -94.3 | 0 | 0 | 0 | 112.7 | I516 I541 F542 Q543 S890 | I516-N545 HydrophobicContact CG2-CB 3.61Å; I541-N545 PolarHBondContact O-N 3.19Å; I541-N545 PolarHBondContact O-ND2 3.03Å; F542-N545 CarbonylContact O-C 3.51Å; F542-N545 PolarHBondContact O-N 3.47Å; F542-N545 VanDerWaalsContact O-N 3.1Å; Q543-N545 PolarHBondContact O-N 3.02Å; N545-S890 PolarHBondContact OD1-OG 3.16Å |
| 546 | G | 78.7 | Confident | 78.6 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 18 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F542 Q543 | F542-G546 PolarHBondContact O-N 3.32Å; Q543-G546 PolarHBondContact O-N 2.88Å; Q543-G546 VanDerWaalsContact O-N 3.17Å |
| 547 | I | 83.3 | Confident | 79 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | trans | -106.3 | 109.6 | 174.2 | -58.5 | 163.9 | 0 | 0 | 0 | 108.7 | I516 F519 R525 V527 F542 Q543 | I516-I547 HydrophobicContact CB-CD1 4.28Å; I516-I547 HydrophobicContact CG1-CD1 4.17Å; I516-I547 HydrophobicContact CG2-CD1 4.2Å; F519-I547 HydrophobicContact CB-CD1 3.8Å; F519-I547 HydrophobicContact CD2-CD1 4.16Å; F519-I547 HydrophobicContact CD2-CG2 4.42Å; F519-I547 HydrophobicContact CG-CD1 4.49Å; R525-I547 CarbonylContact O-C 3.57Å; R525-I547 WeakPolarHBondContact O-CA 3.22Å; V527-I547 HydrophobicContact CB-CG2 4.45Å; V527-I547 HydrophobicContact CG1-CG2 3.8Å; F542-I547 CarbonylContact C-O 3.43Å; F542-I547 VanDerWaalsContact C-O 3.3Å; F542-I547 HydrophobicContact CB-CB 4.35Å; F542-I547 HydrophobicContact CD1-CB 4.33Å; F542-I547 HydrophobicContact CD1-CD1 4.04Å; F542-I547 HydrophobicContact CD1-CG2 4.11Å; F542-I547 PolarHBondContact O-N 3.3Å; Q543-I547 WeakPolarHBondContact CA-O 3.16Å; Q543-I547 PolarHBondContact N-O 3.04Å | ||
| 548 | D | 82.5 | Confident | 79.3 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 121.9 | 179.8 | -72.3 | -26.5 | 0 | 0 | 0 | 111.5 | R525 R526 V527 I550 | R525-D548 PolarHBondContact O-N 3.04Å; R526-D548 WeakPolarHBondContact CA-O 3.43Å; V527-D548 PolarHBondContact N-O 3.23Å; V527-D548 VanDerWaalsContact N-O 3.08Å; D548-I550 PolarHBondContact O-N 3.19Å; D548-I550 VanDerWaalsContact O-N 3.17Å |
| 549 | L | 83.9 | Confident | 79.8 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 96.8 | 167.2 | -126.1 | 83.2 | 0 | 0 | 0 | 110 | V527 V529 F537 P539 A551 D552 | V527-L549 HydrophobicContact CG1-CD1 3.54Å; V527-L549 HydrophobicContact CG1-CG 4.41Å; V527-L549 WeakPolarHBondContact O-CA 3.21Å; V529-L549 HydrophobicContact CB-CD2 4.27Å; V529-L549 HydrophobicContact CG2-CD1 3.88Å; V529-L549 HydrophobicContact CG2-CD2 3.91Å; V529-L549 HydrophobicContact CG2-CG 4.06Å; F537-L549 HydrophobicContact CE1-CD1 3.43Å; F537-L549 VanDerWaalsContact CE1-CD1 3.43Å; F537-L549 HydrophobicContact CE1-CD2 3.95Å; F537-L549 HydrophobicContact CE1-CG 4.34Å; F537-L549 HydrophobicContact CE2-CD1 4.45Å; F537-L549 HydrophobicContact CZ-CD1 3.24Å; F537-L549 HydrophobicContact CZ-CG 4.49Å; P539-L549 HydrophobicContact CB-CD2 4.24Å; P539-L549 HydrophobicContact CG-CD2 4.42Å; L549-A551 VanDerWaalsContact C-N 3.28Å; L549-A551 PolarHBondContact O-N 2.85Å; L549-D552 HydrophobicContact CD2-CB 3.65Å |
| 550 | I | 82.6 | Confident | 80.3 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -23.9 | -178.5 | 52.8 | 175 | 0 | 0 | 0 | 112.8 | R526 V527 A528 D548 M572 S577 | R526-I550 HydrophobicContact CB-CD1 4.29Å; R526-I550 HydrophobicContact CB-CG2 4.12Å; R526-I550 HydrophobicContact CG-CG2 4.12Å; V527-I550 WeakPolarHBondContact O-CG1 3.32Å; V527-I550 PolarHBondContact O-N 2.81Å; V527-I550 VanDerWaalsContact O-N 3.13Å; A528-I550 HydrophobicContact CB-CG1 4.32Å; D548-I550 PolarHBondContact O-N 3.19Å; D548-I550 VanDerWaalsContact O-N 3.17Å; I550-M572 HydrophobicContact CD1-CE 3.92Å; I550-M572 HydrophobicContact CG1-CE 3.82Å; I550-S577 VanDerWaalsContact CD1-CB 3.43Å; I550-S577 WeakPolarHBondContact CD1-OG 3.39Å |
| 551 | A | 84.1 | Confident | 81.1 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 145 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V529 L549 F553 M572 | V529-A551 PolarHBondContact N-O 2.64Å; L549-A551 VanDerWaalsContact C-N 3.28Å; L549-A551 PolarHBondContact O-N 2.85Å; A551-F553 HydrophobicContact CB-CD2 3.94Å; A551-F553 HydrophobicContact CB-CE2 3.34Å; A551-F553 HydrophobicContact CB-CZ 3.8Å; A551-M572 HydrophobicContact CB-CE 3.36Å; A551-M572 HydrophobicContact CB-SD 3.38Å; A551-M572 WeakPolarHBondContact CB-SD 3.41Å |
| 552 | D | 85.8 | Confident | 82.1 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 89.7 | 177.5 | -166.9 | 6 | 0 | 0 | 0 | 109.1 | R531 L549 V554 | R531-D552 IonicContact CZ-OD1 2.63Å; R531-D552 VanDerWaalsContact CZ-OD1 3.29Å; R531-D552 IonicContact CZ-OD2 3.11Å; R531-D552 IonicContact NE-OD1 3.14Å; R531-D552 PolarHBondContact NE-OD1 2.92Å; R531-D552 IonicContact NE-OD2 3.23Å; R531-D552 IonicContact NH2-OD1 3.45Å; R531-D552 PolarHBondContact NH2-OD1 3.44Å; R531-D552 IonicContact NH2-OD2 3.33Å; R531-D552 PolarHBondContact NH2-OD2 3.31Å; L549-D552 HydrophobicContact CD2-CB 3.65Å; D552-V554 PolarHBondContact O-N 3.32Å |
| 553 | F | 86.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 92.7 | -177.6 | -65.8 | -77.2 | 0 | 0 | 0 | 110.1 | V529 F530 R531 A551 A568 M572 | V529-F553 PolarHBondContact O-N 2.94Å; F530-F553 HydrophobicContact CD1-CB 3.65Å; F530-F553 HydrophobicContact CD1-CD2 4.13Å; F530-F553 HydrophobicContact CD1-CG 4.09Å; F530-F553 HydrophobicContact CD2-CD2 4.46Å; F530-F553 HydrophobicContact CE1-CB 3.85Å; F530-F553 AromaticContact CE1-CD2 3.72Å; F530-F553 HydrophobicContact CE1-CD2 3.72Å; F530-F553 HydrophobicContact CE1-CE2 4.4Å; F530-F553 AromaticContact CE1-CG 3.78Å; F530-F553 HydrophobicContact CE1-CG 3.78Å; F530-F553 HydrophobicContact CE2-CD2 4.08Å; F530-F553 HydrophobicContact CE2-CE2 4.47Å; F530-F553 HydrophobicContact CG-CB 4.3Å; F530-F553 HydrophobicContact CG-CD2 4.48Å; F530-F553 AromaticContact CZ-CD2 3.7Å; F530-F553 HydrophobicContact CZ-CD2 3.7Å; F530-F553 HydrophobicContact CZ-CE2 4.03Å; F530-F553 HydrophobicContact CZ-CG 4.23Å; R531-F553 PolarHBondContact N-O 3.38Å; R531-F553 VanDerWaalsContact O-O 3.08Å; A551-F553 HydrophobicContact CB-CD2 3.94Å; A551-F553 HydrophobicContact CB-CE2 3.34Å; A551-F553 HydrophobicContact CB-CZ 3.8Å; F553-A568 HydrophobicContact CD1-CB 4.04Å; F553-A568 HydrophobicContact CE1-CB 3.62Å; F553-A568 HydrophobicContact CE2-CB 4.45Å; F553-A568 HydrophobicContact CZ-CB 3.85Å; F553-M572 HydrophobicContact CE2-CE 4.46Å; F553-M572 HydrophobicContact CE2-CG 3.59Å; F553-M572 HydrophobicContact CE2-SD 3.74Å; F553-M572 HydrophobicContact CZ-CG 3.78Å; F553-M572 HydrophobicContact CZ-SD 3.81Å |
| 554 | V | 84.5 | Confident | 83.1 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 107.1 | 176 | -162.8 | 0 | 0 | 0 | 0 | 110 | R531 D533 D552 | R531-V554 HydrophobicContact CG-CG2 4.35Å; R531-V554 VanDerWaalsContact NH2-CG2 3.28Å; R531-V554 WeakPolarHBondContact O-CA 3.34Å; D533-V554 WeakPolarHBondContact OD1-CG1 3.19Å; D552-V554 PolarHBondContact O-N 3.32Å |
| 555 | M | 82.1 | Confident | 83.9 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 27% | 0.271 | 28% | 0.281 | S | S | . | . | trans | -140.7 | 146.3 | 177.4 | -66 | -176 | 65.6 | 0 | 0 | 110.8 | R531 Q559 Y584 | R531-M555 PolarHBondContact O-N 2.94Å; R531-M555 VanDerWaalsContact O-N 3.16Å; M555-Q559 HydrophobicContact CE-CB 3.82Å; M555-Q559 WeakPolarHBondContact CE-O 2.96Å; M555-Y584 PolarHBondContact N-OH 3.32Å; M555-Y584 VanDerWaalsContact O-CE1 3.28Å; M555-Y584 WeakPolarHBondContact O-CE1 3.49Å; M555-Y584 PolarHBondContact O-OH 2.95Å | ||
| 556 | K | 78.9 | Confident | 84.7 | Confident | 104 Ų | 104 | 51.8 Ų | 51.8 | 45% | 0.452 | 28% | 0.281 | S | S | . | . | trans | -69.2 | 144 | 169.8 | -66.9 | -171.8 | 176.5 | -169.1 | 0 | 110.2 | E532 N558 Q559 L560 | E532-K556 WeakPolarHBondContact OE1-CA 3.38Å; K556-N558 WeakPolarHBondContact CB-OD1 3.28Å; K556-N558 PolarHBondContact O-N 3.39Å; K556-Q559 WeakPolarHBondContact O-CB 3.44Å; K556-Q559 PolarHBondContact O-N 3.42Å; K556-L560 PolarHBondContact O-N 3.01Å | ||
| 557 | E | 76.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -58 | -30.6 | -175.6 | -167.1 | 176.9 | -159.2 | 0 | 0 | 112.6 | E532 Q559 L560 Y584 G588 | E532-E557 PolarHBondContact OE1-N 3.37Å; E557-Q559 VanDerWaalsContact C-N 3.28Å; E557-Q559 PolarHBondContact O-N 2.83Å; E557-L560 WeakPolarHBondContact O-CB 3.37Å; E557-L560 PolarHBondContact O-N 3.14Å; E557-Y584 HydrophobicContact CB-CD1 4.46Å; E557-G588 PolarHBondContact OE1-N 3.27Å |
| 558 | N | 76.9 | Confident | 85.5 | Confident | 133 Ų | 133 | 56.6 Ų | 56.6 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -72 | -16.9 | 176.6 | 68.7 | -19.3 | 0 | 0 | 0 | 114.8 | K556 | K556-N558 WeakPolarHBondContact CB-OD1 3.28Å; K556-N558 PolarHBondContact O-N 3.39Å |
| 559 | Q | 81.8 | Confident | 86 | Confident | 114 Ų | 114 | 52.7 Ų | 52.7 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -93.3 | -9.3 | 173.5 | -63.2 | -172.4 | -28.6 | 0 | 0 | 111.8 | M555 K556 E557 T561 | M555-Q559 HydrophobicContact CE-CB 3.82Å; M555-Q559 WeakPolarHBondContact CE-O 2.96Å; K556-Q559 WeakPolarHBondContact O-CB 3.44Å; K556-Q559 PolarHBondContact O-N 3.42Å; E557-Q559 VanDerWaalsContact C-N 3.28Å; E557-Q559 PolarHBondContact O-N 2.83Å; Q559-T561 PolarHBondContact O-N 3.34Å; Q559-T561 VanDerWaalsContact O-N 3.15Å |
| 560 | L | 84.5 | Confident | 86.2 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | trans | -82.3 | 94.5 | -176.1 | -158.9 | 119.8 | 0 | 0 | 0 | 110.1 | K556 E557 V565 Y584 G588 I591 I592 | K556-L560 PolarHBondContact O-N 3.01Å; E557-L560 WeakPolarHBondContact O-CB 3.37Å; E557-L560 PolarHBondContact O-N 3.14Å; L560-V565 HydrophobicContact CD1-CG2 4.12Å; L560-V565 HydrophobicContact CD2-CG2 3.89Å; L560-V565 HydrophobicContact CG-CG2 3.65Å; L560-Y584 HydrophobicContact CD1-CD2 4.31Å; L560-Y584 HydrophobicContact CD1-CE1 4.05Å; L560-Y584 HydrophobicContact CD1-CE2 3.61Å; L560-Y584 VanDerWaalsContact CD1-CZ 3.46Å; L560-Y584 WeakPolarHBondContact CD1-OH 3.31Å; L560-G588 WeakPolarHBondContact CD2-O 3.39Å; L560-I591 HydrophobicContact CD2-CB 4.06Å; L560-I591 HydrophobicContact CD2-CD1 4.42Å; L560-I591 HydrophobicContact CD2-CG2 4.09Å; L560-I592 HydrophobicContact CD1-CD1 4.22Å; L560-I592 HydrophobicContact CD2-CD1 4.21Å; L560-I592 HydrophobicContact CD2-CG1 4.04Å | ||
| 561 | T | 88.8 | Confident | 86.2 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 41% | 0.405 | 30% | 0.304 | S | S | . | . | trans | -104 | 154.9 | 175.2 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | Q559 V563 T564 V565 | Q559-T561 PolarHBondContact O-N 3.34Å; Q559-T561 VanDerWaalsContact O-N 3.15Å; T561-V563 PolarHBondContact O-N 3.46Å; T561-T564 WeakPolarHBondContact CA-OG1 3.32Å; T561-T564 PolarHBondContact N-OG1 2.84Å; T561-T564 PolarHBondContact O-N 3.46Å; T561-T564 PolarHBondContact O-OG1 3.29Å; T561-T564 WeakPolarHBondContact OG1-CG2 3.3Å; T561-T564 PolarHBondContact OG1-N 2.84Å; T561-T564 PolarHBondContact OG1-OG1 3.26Å; T561-V565 WeakPolarHBondContact O-CG2 3.49Å; T561-V565 PolarHBondContact O-N 3.22Å | ||
| 562 | Y | 92.9 | Very high | 86.1 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50.4 | -44 | 174.6 | 179.4 | -92.6 | 0 | 0 | 0 | 112 | V565 L566 A595 H598 E629 | Y562-V565 PolarHBondContact O-N 3.36Å; Y562-L566 HydrophobicContact CE1-CD1 4.46Å; Y562-L566 HydrophobicContact CE1-CD2 4.16Å; Y562-L566 VanDerWaalsContact O-CB 3.26Å; Y562-L566 WeakPolarHBondContact O-CB 3.26Å; Y562-L566 PolarHBondContact O-N 2.87Å; Y562-A595 HydrophobicContact CD2-CB 4.03Å; Y562-A595 HydrophobicContact CE2-CB 3.73Å; Y562-H598 AromaticContact CZ-ND1 3.74Å; Y562-H598 WeakPolarHBondContact OH-CB 3.47Å; Y562-H598 PolarHBondContact OH-ND1 2.77Å; Y562-E629 HydrophobicContact CD1-CG 3.89Å; Y562-E629 HydrophobicContact CD2-CB 3.84Å; Y562-E629 HydrophobicContact CD2-CG 3.85Å; Y562-E629 HydrophobicContact CE1-CG 4.24Å; Y562-E629 HydrophobicContact CE2-CB 3.81Å; Y562-E629 HydrophobicContact CE2-CG 4.19Å; Y562-E629 HydrophobicContact CG-CB 4.22Å; Y562-E629 HydrophobicContact CG-CG 3.7Å |
| 563 | V | 91 | Very high | 85.8 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | -179.1 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | T561 V565 L566 Q567 | T561-V563 PolarHBondContact O-N 3.46Å; V563-V565 VanDerWaalsContact C-N 3.32Å; V563-V565 PolarHBondContact O-N 3.32Å; V563-L566 PolarHBondContact O-N 3.34Å; V563-Q567 WeakPolarHBondContact O-CG 3.49Å; V563-Q567 PolarHBondContact O-N 3.47Å |
| 564 | T | 90.5 | Very high | 85.2 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 179.5 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | T561 Q567 A568 | T561-T564 WeakPolarHBondContact CA-OG1 3.32Å; T561-T564 PolarHBondContact N-OG1 2.84Å; T561-T564 PolarHBondContact O-N 3.46Å; T561-T564 PolarHBondContact O-OG1 3.29Å; T561-T564 WeakPolarHBondContact OG1-CG2 3.3Å; T561-T564 PolarHBondContact OG1-N 2.84Å; T561-T564 PolarHBondContact OG1-OG1 3.26Å; T564-Q567 PolarHBondContact O-N 3.38Å; T564-A568 PolarHBondContact O-N 3.35Å; T564-A568 VanDerWaalsContact O-N 3.11Å |
| 565 | V | 91.8 | Very high | 84.5 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 177.5 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | F530 L560 T561 Y562 V563 Q567 A568 L569 I591 I592 A595 | F530-V565 HydrophobicContact CE1-CG1 4.36Å; L560-V565 HydrophobicContact CD1-CG2 4.12Å; L560-V565 HydrophobicContact CD2-CG2 3.89Å; L560-V565 HydrophobicContact CG-CG2 3.65Å; T561-V565 WeakPolarHBondContact O-CG2 3.49Å; T561-V565 PolarHBondContact O-N 3.22Å; Y562-V565 PolarHBondContact O-N 3.36Å; V563-V565 VanDerWaalsContact C-N 3.32Å; V563-V565 PolarHBondContact O-N 3.32Å; V565-Q567 VanDerWaalsContact C-N 3.28Å; V565-Q567 PolarHBondContact O-N 3.11Å; V565-A568 WeakPolarHBondContact O-CB 3.47Å; V565-A568 PolarHBondContact O-N 3.17Å; V565-A568 VanDerWaalsContact O-N 3.15Å; V565-L569 HydrophobicContact CG1-CD1 3.77Å; V565-L569 HydrophobicContact CG1-CG 4.04Å; V565-L569 WeakPolarHBondContact O-CB 3.34Å; V565-L569 WeakPolarHBondContact O-CG 2.95Å; V565-L569 PolarHBondContact O-N 3.45Å; V565-I591 HydrophobicContact CG2-CG2 4.27Å; V565-I592 HydrophobicContact CG1-CB 4.28Å; V565-I592 HydrophobicContact CG1-CG1 3.91Å; V565-I592 HydrophobicContact CG1-CG2 4.39Å; V565-I592 HydrophobicContact CG2-CG1 4.09Å; V565-A595 HydrophobicContact CB-CB 4.45Å; V565-A595 HydrophobicContact CG1-CB 4.03Å |
| 566 | L | 92.2 | Very high | 84.2 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -40.5 | 177.1 | -169.1 | 77.7 | 0 | 0 | 0 | 111.9 | Y562 V563 K570 A595 L599 | Y562-L566 HydrophobicContact CE1-CD1 4.46Å; Y562-L566 HydrophobicContact CE1-CD2 4.16Å; Y562-L566 VanDerWaalsContact O-CB 3.26Å; Y562-L566 WeakPolarHBondContact O-CB 3.26Å; Y562-L566 PolarHBondContact O-N 2.87Å; V563-L566 PolarHBondContact O-N 3.34Å; L566-K570 VanDerWaalsContact O-CG 3.31Å; L566-K570 WeakPolarHBondContact O-CG 3.34Å; L566-K570 PolarHBondContact O-N 3.45Å; L566-A595 HydrophobicContact CD1-CB 4.27Å; L566-L599 HydrophobicContact CD1-CD1 3.74Å; L566-L599 HydrophobicContact CD1-CD2 3.83Å; L566-L599 HydrophobicContact CD1-CG 3.61Å; L566-L599 HydrophobicContact CG-CD1 4.47Å |
| 567 | Q | 89.9 | Confident | 84.3 | Confident | 126 Ų | 126 | 61.7 Ų | 61.7 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | 175.9 | -73.5 | 176.7 | -7.2 | 0 | 0 | 112.2 | V563 T564 V565 K570 L571 | V563-Q567 WeakPolarHBondContact O-CG 3.49Å; V563-Q567 PolarHBondContact O-N 3.47Å; T564-Q567 PolarHBondContact O-N 3.38Å; V565-Q567 VanDerWaalsContact C-N 3.28Å; V565-Q567 PolarHBondContact O-N 3.11Å; Q567-K570 PolarHBondContact O-N 3.33Å; Q567-L571 PolarHBondContact O-N 3.49Å |
| 568 | A | 89.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 13% | 0.132 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F530 F553 T564 V565 K570 L571 M572 | F530-A568 HydrophobicContact CE1-CB 4.2Å; F530-A568 HydrophobicContact CZ-CB 4.25Å; F553-A568 HydrophobicContact CD1-CB 4.04Å; F553-A568 HydrophobicContact CE1-CB 3.62Å; F553-A568 HydrophobicContact CE2-CB 4.45Å; F553-A568 HydrophobicContact CZ-CB 3.85Å; T564-A568 PolarHBondContact O-N 3.35Å; T564-A568 VanDerWaalsContact O-N 3.11Å; V565-A568 WeakPolarHBondContact O-CB 3.47Å; V565-A568 PolarHBondContact O-N 3.17Å; V565-A568 VanDerWaalsContact O-N 3.15Å; A568-K570 PolarHBondContact O-N 2.79Å; A568-L571 PolarHBondContact O-N 3.42Å; A568-M572 WeakPolarHBondContact O-CG 3.37Å; A568-M572 PolarHBondContact O-N 2.81Å |
| 569 | L | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | -179.6 | -70.1 | 176.4 | 0 | 0 | 0 | 113.4 | F530 V565 L571 M572 N573 F580 A595 A596 L599 M601 W609 | F530-L569 HydrophobicContact CE2-CD2 3.59Å; F530-L569 HydrophobicContact CE2-CG 4.5Å; F530-L569 HydrophobicContact CZ-CD2 3.62Å; F530-L569 HydrophobicContact CZ-CG 4.08Å; V565-L569 HydrophobicContact CG1-CD1 3.77Å; V565-L569 HydrophobicContact CG1-CG 4.04Å; V565-L569 WeakPolarHBondContact O-CB 3.34Å; V565-L569 WeakPolarHBondContact O-CG 2.95Å; V565-L569 PolarHBondContact O-N 3.45Å; L569-L571 PolarHBondContact O-N 3.13Å; L569-M572 PolarHBondContact O-N 3.11Å; L569-N573 WeakPolarHBondContact O-CB 3.36Å; L569-N573 PolarHBondContact O-N 2.64Å; L569-F580 HydrophobicContact CD2-CE1 4.06Å; L569-A595 HydrophobicContact CD1-CB 3.91Å; L569-A596 HydrophobicContact CD1-CB 3.98Å; L569-L599 HydrophobicContact CB-CD1 3.43Å; L569-L599 VanDerWaalsContact CB-CD1 3.43Å; L569-L599 HydrophobicContact CD1-CD1 4.29Å; L569-M601 HydrophobicContact CB-SD 3.93Å; L569-M601 HydrophobicContact CD2-CE 4.1Å; L569-M601 HydrophobicContact CD2-SD 4.26Å; L569-M601 HydrophobicContact CG-SD 4.49Å; L569-W609 HydrophobicContact CD2-CH2 3.8Å |
| 570 | K | 87.9 | Confident | 86.1 | Confident | 106 Ų | 106 | 51 Ų | 51 | 46% | 0.461 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 172.4 | -78.1 | 176.8 | 179.1 | -175.2 | 0 | 111.7 | L566 Q567 A568 M572 N573 D574 L599 | L566-K570 VanDerWaalsContact O-CG 3.31Å; L566-K570 WeakPolarHBondContact O-CG 3.34Å; L566-K570 PolarHBondContact O-N 3.45Å; Q567-K570 PolarHBondContact O-N 3.33Å; A568-K570 PolarHBondContact O-N 2.79Å; K570-M572 PolarHBondContact O-N 3.49Å; K570-N573 PolarHBondContact O-N 2.98Å; K570-D574 VanDerWaalsContact O-CG 3.29Å; K570-D574 PolarHBondContact O-N 3.34Å; K570-L599 HydrophobicContact CD-CD2 4.49Å; K570-L599 HydrophobicContact CG-CD1 4.11Å; K570-L599 HydrophobicContact CG-CD2 3.87Å |
| 571 | L | 83.1 | Confident | 86.4 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -30.3 | 178.1 | -166.2 | 141 | 0 | 0 | 0 | 112.1 | Q567 A568 L569 R575 | Q567-L571 PolarHBondContact O-N 3.49Å; A568-L571 PolarHBondContact O-N 3.42Å; L569-L571 PolarHBondContact O-N 3.13Å; L571-R575 WeakPolarHBondContact O-CG 2.78Å; L571-R575 PolarHBondContact O-N 3.47Å |
| 572 | M | 82.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.8 | -37.5 | 175.6 | -67.5 | -50 | -73 | 0 | 0 | 113.7 | A528 I550 A551 F553 A568 L569 K570 D574 R575 T576 S577 F580 | A528-M572 HydrophobicContact CB-CE 3.48Å; A528-M572 VanDerWaalsContact CB-CE 3.48Å; I550-M572 HydrophobicContact CD1-CE 3.92Å; I550-M572 HydrophobicContact CG1-CE 3.82Å; A551-M572 HydrophobicContact CB-CE 3.36Å; A551-M572 HydrophobicContact CB-SD 3.38Å; A551-M572 WeakPolarHBondContact CB-SD 3.41Å; F553-M572 HydrophobicContact CE2-CE 4.46Å; F553-M572 HydrophobicContact CE2-CG 3.59Å; F553-M572 HydrophobicContact CE2-SD 3.74Å; F553-M572 HydrophobicContact CZ-CG 3.78Å; F553-M572 HydrophobicContact CZ-SD 3.81Å; A568-M572 WeakPolarHBondContact O-CG 3.37Å; A568-M572 PolarHBondContact O-N 2.81Å; L569-M572 PolarHBondContact O-N 3.11Å; K570-M572 PolarHBondContact O-N 3.49Å; M572-D574 VanDerWaalsContact C-N 3.32Å; M572-R575 CarbonylContact O-C 3.33Å; M572-R575 WeakPolarHBondContact O-CA 3.47Å; M572-R575 PolarHBondContact O-N 3.41Å; M572-R575 VanDerWaalsContact O-N 3.11Å; M572-T576 PolarHBondContact O-N 3.25Å; M572-S577 WeakPolarHBondContact CE-OG 3.34Å; M572-S577 WeakPolarHBondContact O-CB 3.33Å; M572-S577 PolarHBondContact O-N 3.29Å; M572-S577 VanDerWaalsContact O-N 3.16Å; M572-S577 PolarHBondContact O-OG 3.12Å; M572-F580 HydrophobicContact CB-CE1 4.25Å; M572-F580 HydrophobicContact CB-CZ 4.23Å; M572-F580 HydrophobicContact CG-CE1 4.5Å |
| 573 | N | 79.3 | Confident | 86.2 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.2 | -171.1 | 20.4 | 0 | 0 | 0 | 110.7 | L569 K570 R575 T576 M601 Y607 | L569-N573 WeakPolarHBondContact O-CB 3.36Å; L569-N573 PolarHBondContact O-N 2.64Å; K570-N573 PolarHBondContact O-N 2.98Å; N573-R575 PolarHBondContact O-N 3.01Å; N573-R575 VanDerWaalsContact O-N 3.17Å; N573-T576 PolarHBondContact O-N 2.88Å; N573-M601 HydrophobicContact CB-SD 4.47Å; N573-Y607 PolarHBondContact OD1-OH 2.73Å |
| 574 | D | 73.3 | Confident | 85.9 | Confident | 135 Ų | 135 | 42.7 Ų | 42.7 | 72% | 0.722 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.2 | 173.9 | -66.2 | -16.2 | 0 | 0 | 0 | 112.7 | K570 M572 | K570-D574 VanDerWaalsContact O-CG 3.29Å; K570-D574 PolarHBondContact O-N 3.34Å; M572-D574 VanDerWaalsContact C-N 3.32Å |
| 575 | R | 70.4 | Confident | 85.2 | Confident | 137 Ų | 137 | 45.2 Ų | 45.2 | 52% | 0.517 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 16.2 | 175.6 | -70.3 | -177.7 | 176.9 | -153 | -0.8 | 114 | R526 L571 M572 N573 S577 | R526-R575 PolarHBondContact NH2-O 2.91Å; L571-R575 WeakPolarHBondContact O-CG 2.78Å; L571-R575 PolarHBondContact O-N 3.47Å; M572-R575 CarbonylContact O-C 3.33Å; M572-R575 WeakPolarHBondContact O-CA 3.47Å; M572-R575 PolarHBondContact O-N 3.41Å; M572-R575 VanDerWaalsContact O-N 3.11Å; N573-R575 PolarHBondContact O-N 3.01Å; N573-R575 VanDerWaalsContact O-N 3.17Å; R575-S577 PolarHBondContact O-N 3.1Å; R575-S577 VanDerWaalsContact O-N 3.12Å |
| 576 | T | 75.9 | Confident | 84.8 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 37% | 0.368 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 25.1 | 179.3 | 60.9 | 0 | 0 | 0 | 0 | 114.9 | M572 N573 R578 G917 | M572-T576 PolarHBondContact O-N 3.25Å; N573-T576 PolarHBondContact O-N 2.88Å; T576-R578 PolarHBondContact O-N 2.89Å; T576-G917 WeakPolarHBondContact O-CA 3.46Å; T576-G917 PolarHBondContact OG1-O 3.26Å |
| 577 | S | 80 | Confident | 84.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -70.7 | 129.2 | -177.5 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | I550 M572 R575 F580 Y607 | I550-S577 VanDerWaalsContact CD1-CB 3.43Å; I550-S577 WeakPolarHBondContact CD1-OG 3.39Å; M572-S577 WeakPolarHBondContact CE-OG 3.34Å; M572-S577 WeakPolarHBondContact O-CB 3.33Å; M572-S577 PolarHBondContact O-N 3.29Å; M572-S577 VanDerWaalsContact O-N 3.16Å; M572-S577 PolarHBondContact O-OG 3.12Å; R575-S577 PolarHBondContact O-N 3.1Å; R575-S577 VanDerWaalsContact O-N 3.12Å; S577-F580 WeakPolarHBondContact O-CE2 3.35Å; S577-Y607 VanDerWaalsContact O-CE1 3.27Å; S577-Y607 WeakPolarHBondContact O-CE1 3.34Å | ||
| 578 | R | 88.6 | Confident | 84.4 | Confident | 63 Ų | 63 | 44 Ų | 44 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | trans | -117.1 | -27.8 | -178.1 | -60.5 | -61.4 | -178.7 | -122.8 | 4.2 | 115.5 | T576 Y607 V608 D915 | T576-R578 PolarHBondContact O-N 2.89Å; R578-Y607 VanDerWaalsContact NH1-CZ 3.31Å; R578-Y607 PolarHBondContact NH1-OH 3.03Å; R578-Y607 WeakPolarHBondContact O-CA 3.39Å; R578-V608 PolarHBondContact O-N 3.49Å; R578-D915 WeakPolarHBondContact CB-O 3.3Å; R578-D915 WeakPolarHBondContact CG-O 3.05Å | ||
| 579 | I | 92.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.8 | -176 | -45.5 | -55.5 | 0 | 0 | 0 | 110.4 | F519 W524 V527 A528 V608 F610 D916 | F519-I579 HydrophobicContact CZ-CG2 4.28Å; W524-I579 HydrophobicContact CD2-CD1 3.64Å; W524-I579 HydrophobicContact CD2-CG1 3.72Å; W524-I579 HydrophobicContact CE3-CB 4.44Å; W524-I579 HydrophobicContact CE3-CD1 3.82Å; W524-I579 HydrophobicContact CE3-CG1 3.83Å; W524-I579 HydrophobicContact CE3-CG2 3.76Å; W524-I579 HydrophobicContact CG-CD1 4.3Å; W524-I579 HydrophobicContact CG-CG1 4.04Å; W524-I579 HydrophobicContact CH2-CD1 3.84Å; W524-I579 HydrophobicContact CZ2-CD1 3.63Å; W524-I579 HydrophobicContact CZ3-CD1 3.91Å; W524-I579 HydrophobicContact CZ3-CG1 4.33Å; W524-I579 HydrophobicContact CZ3-CG2 3.88Å; V527-I579 HydrophobicContact CG2-CB 4.41Å; V527-I579 HydrophobicContact CG2-CG2 4.09Å; A528-I579 PolarHBondContact N-O 3.31Å; I579-V608 HydrophobicContact CD1-CB 3.97Å; I579-V608 HydrophobicContact CD1-CG2 3.97Å; I579-F610 HydrophobicContact CG2-CE2 4.36Å; I579-D916 HydrophobicContact CG1-CB 4.11Å |
| 580 | F | 93 | Very high | 84.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.7 | -173.8 | -68.3 | -95.1 | 0 | 0 | 0 | 112.5 | A528 F530 L569 M572 S577 M601 Y607 V608 W609 F610 | A528-F580 HydrophobicContact CB-CD1 3.59Å; A528-F580 HydrophobicContact CB-CE1 3.57Å; A528-F580 HydrophobicContact CB-CG 4.34Å; A528-F580 HydrophobicContact CB-CZ 4.29Å; A528-F580 CarbonylContact O-C 3.59Å; A528-F580 VanDerWaalsContact O-CA 3.29Å; A528-F580 WeakPolarHBondContact O-CA 3.32Å; F530-F580 HydrophobicContact CD2-CD1 4.43Å; F530-F580 HydrophobicContact CE2-CD1 4.05Å; F530-F580 HydrophobicContact CE2-CE1 4.31Å; L569-F580 HydrophobicContact CD2-CE1 4.06Å; M572-F580 HydrophobicContact CB-CE1 4.25Å; M572-F580 HydrophobicContact CB-CZ 4.23Å; M572-F580 HydrophobicContact CG-CE1 4.5Å; S577-F580 WeakPolarHBondContact O-CE2 3.35Å; F580-M601 HydrophobicContact CE1-CE 4.13Å; F580-M601 HydrophobicContact CE2-CE 3.7Å; F580-M601 HydrophobicContact CZ-CE 3.36Å; F580-Y607 HydrophobicContact CD2-CD1 4.38Å; F580-Y607 AromaticContact CE2-CD1 3.8Å; F580-Y607 HydrophobicContact CE2-CD1 3.8Å; F580-Y607 HydrophobicContact CE2-CE1 4.22Å; F580-V608 PolarHBondContact N-O 2.93Å; F580-W609 HydrophobicContact CB-CD2 3.82Å; F580-W609 HydrophobicContact CB-CE3 3.42Å; F580-W609 VanDerWaalsContact CB-CE3 3.42Å; F580-W609 HydrophobicContact CB-CH2 3.96Å; F580-W609 HydrophobicContact CB-CZ2 4.31Å; F580-W609 HydrophobicContact CB-CZ3 3.5Å; F580-W609 AromaticContact CD1-CH2 3.77Å; F580-W609 HydrophobicContact CD1-CH2 3.77Å; F580-W609 HydrophobicContact CD1-CZ2 4.4Å; F580-W609 AromaticContact CD1-CZ3 3.94Å; F580-W609 HydrophobicContact CD1-CZ3 3.94Å; F580-W609 HydrophobicContact CD2-CH2 4.16Å; F580-W609 AromaticContact CD2-CZ2 3.99Å; F580-W609 HydrophobicContact CD2-CZ2 3.99Å; F580-W609 HydrophobicContact CE1-CH2 4.33Å; F580-W609 HydrophobicContact CE2-CZ2 4.48Å; F580-W609 HydrophobicContact CG-CD2 4.36Å; F580-W609 HydrophobicContact CG-CE3 4.09Å; F580-W609 AromaticContact CG-CH2 3.68Å; F580-W609 HydrophobicContact CG-CH2 3.68Å; F580-W609 AromaticContact CG-CZ2 3.96Å; F580-W609 HydrophobicContact CG-CZ2 3.96Å; F580-W609 AromaticContact CG-CZ3 3.75Å; F580-W609 HydrophobicContact CG-CZ3 3.75Å; F580-W609 WeakPolarHBondContact O-CA 3.35Å; F580-F610 PolarHBondContact O-N 3Å |
| 581 | M | 91 | Very high | 84.8 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138 | 170.6 | -60.7 | -176.7 | 57.1 | 0 | 0 | 110.4 | L515 F519 V527 A528 V529 F530 F537 F610 | L515-M581 HydrophobicContact CD1-CE 3.29Å; L515-M581 HydrophobicContact CD1-SD 4.15Å; F519-M581 HydrophobicContact CE2-SD 4.13Å; F519-M581 HydrophobicContact CZ-CG 4.49Å; F519-M581 HydrophobicContact CZ-SD 4.16Å; V527-M581 HydrophobicContact CG2-CG 3.96Å; V527-M581 HydrophobicContact CG2-SD 4.23Å; A528-M581 PolarHBondContact O-N 3.31Å; V529-M581 HydrophobicContact CG1-CB 4.29Å; V529-M581 HydrophobicContact CG2-CB 4.24Å; V529-M581 HydrophobicContact CG2-SD 4.49Å; F530-M581 PolarHBondContact N-O 3.28Å; F537-M581 HydrophobicContact CD2-CE 3.6Å; F537-M581 HydrophobicContact CD2-SD 3.79Å; F537-M581 HydrophobicContact CE2-CE 4.02Å; F537-M581 HydrophobicContact CE2-SD 3.55Å; F537-M581 VanDerWaalsContact CE2-SD 3.55Å; M581-F610 HydrophobicContact CG-CB 4.09Å |
| 582 | V | 91 | Very high | 85.3 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 106.2 | -178.4 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | F530 Y584 T589 I592 W609 F610 L611 | F530-V582 HydrophobicContact CB-CG2 4.49Å; F530-V582 CarbonylContact O-C 3.53Å; F530-V582 WeakPolarHBondContact O-CA 3.42Å; V582-Y584 HydrophobicContact CG1-CD2 4.16Å; V582-T589 HydrophobicContact CG1-CG2 4.02Å; V582-I592 HydrophobicContact CG1-CD1 3.64Å; V582-I592 HydrophobicContact CG2-CG2 4.01Å; V582-W609 HydrophobicContact CG2-CE3 3.75Å; V582-W609 HydrophobicContact CG2-CZ3 3.93Å; V582-F610 PolarHBondContact N-O 3.43Å; V582-L611 HydrophobicContact CB-CD2 3.94Å; V582-L611 HydrophobicContact CG2-CD2 4.23Å |
| 583 | E | 85.8 | Confident | 85.9 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 58.1 | 178.2 | -64 | -178.1 | 125.6 | 0 | 0 | 110.8 | F530 R531 H535 F536 F537 N612 | F530-E583 PolarHBondContact O-N 3.18Å; R531-E583 HydrophobicContact CB-CB 3.83Å; R531-E583 WeakPolarHBondContact CB-OE2 3.43Å; H535-E583 VanDerWaalsContact CB-OE2 3.23Å; H535-E583 WeakPolarHBondContact CB-OE2 3.35Å; H535-E583 IonicContact CG-OE2 3.05Å; H535-E583 IonicContact ND1-OE2 3.72Å; H535-E583 PolarHBondContact ND1-OE2 3.15Å; F536-E583 VanDerWaalsContact CD1-OE1 3.3Å; F536-E583 WeakPolarHBondContact CD1-OE1 3.39Å; F536-E583 WeakPolarHBondContact CD2-OE1 3.11Å; F536-E583 HydrophobicContact CE1-CG 3.99Å; F536-E583 VanDerWaalsContact CE1-OE1 3.23Å; F536-E583 WeakPolarHBondContact CE1-OE1 3.38Å; F536-E583 WeakPolarHBondContact CE2-OE1 3.39Å; F536-E583 WeakPolarHBondContact CG-OE1 3.44Å; F536-E583 HydrophobicContact CZ-CG 4.05Å; F536-E583 VanDerWaalsContact CZ-OE1 3.27Å; F536-E583 WeakPolarHBondContact CZ-OE1 3.4Å; F536-E583 PolarHBondContact N-OE1 3.42Å; F537-E583 WeakPolarHBondContact CB-OE1 3.41Å; F537-E583 WeakPolarHBondContact CB-OE2 3.44Å; F537-E583 PolarHBondContact N-OE1 3.23Å; E583-N612 VanDerWaalsContact CA-ND2 3.34Å; E583-N612 WeakPolarHBondContact CA-ND2 3.28Å |
| 584 | Y | 83.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | trans | -120.5 | 163.7 | 174.1 | -78.8 | -75.3 | 0 | 0 | 0 | 112.2 | F530 R531 E532 M555 E557 L560 V582 T589 I592 N612 | F530-Y584 HydrophobicContact CB-CD2 4.26Å; F530-Y584 HydrophobicContact CB-CE2 3.92Å; R531-Y584 VanDerWaalsContact C-CZ 3.42Å; R531-Y584 VanDerWaalsContact N-CE2 3.34Å; R531-Y584 PolarHBondContact O-OH 3.23Å; E532-Y584 HydrophobicContact CB-CE1 4.12Å; M555-Y584 PolarHBondContact N-OH 3.32Å; M555-Y584 VanDerWaalsContact O-CE1 3.28Å; M555-Y584 WeakPolarHBondContact O-CE1 3.49Å; M555-Y584 PolarHBondContact O-OH 2.95Å; E557-Y584 HydrophobicContact CB-CD1 4.46Å; L560-Y584 HydrophobicContact CD1-CD2 4.31Å; L560-Y584 HydrophobicContact CD1-CE1 4.05Å; L560-Y584 HydrophobicContact CD1-CE2 3.61Å; L560-Y584 VanDerWaalsContact CD1-CZ 3.46Å; L560-Y584 WeakPolarHBondContact CD1-OH 3.31Å; V582-Y584 HydrophobicContact CG1-CD2 4.16Å; Y584-T589 PolarHBondContact O-OG1 2.84Å; Y584-T589 VanDerWaalsContact O-OG1 3.05Å; Y584-I592 HydrophobicContact CD2-CD1 3.48Å; Y584-I592 VanDerWaalsContact CD2-CD1 3.48Å; Y584-I592 HydrophobicContact CE2-CD1 3.84Å; Y584-I592 HydrophobicContact CG-CD1 4.41Å; Y584-N612 PolarHBondContact N-ND2 3.48Å; Y584-N612 VanDerWaalsContact N-ND2 3.19Å; Y584-N612 PolarHBondContact O-ND2 2.73Å | ||
| 585 | F | 76.9 | Confident | 87.6 | Confident | 101 Ų | 101 | 25.8 Ų | 25.8 | 44% | 0.443 | 12% | 0.118 | S | C | . | . | trans | -64 | 172.3 | 164.6 | -69.6 | -71.4 | 0 | 0 | 0 | 111.2 | K587 G588 T589 | F585-K587 VanDerWaalsContact C-N 3.3Å; F585-K587 PolarHBondContact O-N 3.37Å; F585-G588 PolarHBondContact O-N 3.18Å; F585-T589 WeakPolarHBondContact O-CB 3.26Å; F585-T589 PolarHBondContact O-N 3.2Å; F585-T589 PolarHBondContact O-OG1 3.21Å | ||
| 586 | A | 82.9 | Confident | 88.7 | Confident | 23 Ų | 23 | 19.3 Ų | 19.3 | 19% | 0.19 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -46.3 | -51.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T589 A590 L615 W619 V625 | A586-T589 PolarHBondContact O-N 3.26Å; A586-A590 WeakPolarHBondContact O-CB 3.43Å; A586-A590 PolarHBondContact O-N 2.82Å; A586-L615 HydrophobicContact CB-CD2 4.09Å; A586-W619 HydrophobicContact CB-CD2 4.42Å; A586-W619 HydrophobicContact CB-CE3 3.6Å; A586-W619 HydrophobicContact CB-CZ3 4.17Å; A586-W619 WeakPolarHBondContact O-CZ3 3.19Å; A586-V625 HydrophobicContact CB-CG1 3.86Å; A586-V625 HydrophobicContact CB-CG2 3.91Å |
| 587 | K | 85.3 | Confident | 89.5 | Confident | 114 Ų | 114 | 19.1 Ų | 19.1 | 50% | 0.496 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -64.1 | -50.8 | -175.9 | -174.4 | 174.5 | -176.1 | 165.7 | 0 | 113 | F585 T589 A590 I591 | F585-K587 VanDerWaalsContact C-N 3.3Å; F585-K587 PolarHBondContact O-N 3.37Å; K587-T589 VanDerWaalsContact C-N 3.32Å; K587-T589 PolarHBondContact O-N 3.2Å; K587-A590 WeakPolarHBondContact O-CB 3.49Å; K587-A590 PolarHBondContact O-N 3.31Å; K587-I591 HydrophobicContact CG-CD1 4.3Å; K587-I591 WeakPolarHBondContact O-CG1 3.32Å; K587-I591 PolarHBondContact O-N 3.03Å; K587-I591 VanDerWaalsContact O-N 3.16Å |
| 588 | G | 89.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E557 L560 F585 A590 I591 I592 | E557-G588 PolarHBondContact OE1-N 3.27Å; L560-G588 WeakPolarHBondContact CD2-O 3.39Å; F585-G588 PolarHBondContact O-N 3.18Å; G588-A590 VanDerWaalsContact C-N 3.34Å; G588-A590 PolarHBondContact O-N 3.38Å; G588-I591 PolarHBondContact O-N 3.32Å; G588-I592 WeakPolarHBondContact O-CD1 3.43Å; G588-I592 WeakPolarHBondContact O-CG1 3.17Å; G588-I592 PolarHBondContact O-N 3.38Å; G588-I592 VanDerWaalsContact O-N 3.14Å |
| 589 | T | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | V582 Y584 F585 A586 K587 I591 I592 L593 L611 L615 W619 | V582-T589 HydrophobicContact CG1-CG2 4.02Å; Y584-T589 PolarHBondContact O-OG1 2.84Å; Y584-T589 VanDerWaalsContact O-OG1 3.05Å; F585-T589 WeakPolarHBondContact O-CB 3.26Å; F585-T589 PolarHBondContact O-N 3.2Å; F585-T589 PolarHBondContact O-OG1 3.21Å; A586-T589 PolarHBondContact O-N 3.26Å; K587-T589 VanDerWaalsContact C-N 3.32Å; K587-T589 PolarHBondContact O-N 3.2Å; T589-I591 PolarHBondContact O-N 2.87Å; T589-I592 PolarHBondContact O-N 3.37Å; T589-L593 HydrophobicContact CG2-CD1 3.9Å; T589-L593 HydrophobicContact CG2-CG 4.29Å; T589-L593 WeakPolarHBondContact O-CB 3.44Å; T589-L593 WeakPolarHBondContact O-CG 3.48Å; T589-L593 PolarHBondContact O-N 2.99Å; T589-L611 HydrophobicContact CG2-CD1 4.29Å; T589-L611 HydrophobicContact CG2-CD2 3.78Å; T589-L615 HydrophobicContact CG2-CD1 4.05Å; T589-W619 HydrophobicContact CG2-CH2 3.57Å; T589-W619 HydrophobicContact CG2-CZ2 3.68Å |
| 590 | A | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | A586 K587 G588 I592 L593 C594 W619 V625 P627 M635 | A586-A590 WeakPolarHBondContact O-CB 3.43Å; A586-A590 PolarHBondContact O-N 2.82Å; K587-A590 WeakPolarHBondContact O-CB 3.49Å; K587-A590 PolarHBondContact O-N 3.31Å; G588-A590 VanDerWaalsContact C-N 3.34Å; G588-A590 PolarHBondContact O-N 3.38Å; A590-I592 VanDerWaalsContact C-N 3.3Å; A590-I592 PolarHBondContact O-N 3.02Å; A590-L593 PolarHBondContact O-N 3.06Å; A590-C594 WeakPolarHBondContact O-CB 3.36Å; A590-C594 PolarHBondContact O-N 3.29Å; A590-W619 HydrophobicContact CB-CH2 4.07Å; A590-W619 HydrophobicContact CB-CZ3 3.73Å; A590-V625 HydrophobicContact CB-CG1 4.03Å; A590-V625 WeakPolarHBondContact CB-O 3.47Å; A590-P627 HydrophobicContact CB-CG 4.09Å; A590-M635 HydrophobicContact CB-CE 4.07Å |
| 591 | I | 92.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 23.1 Ų | 23.1 | 10% | 0.103 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 179.9 | -66.7 | 167.6 | 0 | 0 | 0 | 110.5 | L560 V565 K587 G588 T589 A595 P627 | L560-I591 HydrophobicContact CD2-CB 4.06Å; L560-I591 HydrophobicContact CD2-CD1 4.42Å; L560-I591 HydrophobicContact CD2-CG2 4.09Å; V565-I591 HydrophobicContact CG2-CG2 4.27Å; K587-I591 HydrophobicContact CG-CD1 4.3Å; K587-I591 WeakPolarHBondContact O-CG1 3.32Å; K587-I591 PolarHBondContact O-N 3.03Å; K587-I591 VanDerWaalsContact O-N 3.16Å; G588-I591 PolarHBondContact O-N 3.32Å; T589-I591 PolarHBondContact O-N 2.87Å; I591-A595 WeakPolarHBondContact O-CB 3.46Å; I591-A595 PolarHBondContact O-N 2.79Å; I591-P627 HydrophobicContact CG1-CB 4.32Å |
| 592 | I | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66 | -50.4 | 179.5 | -65.8 | 160.3 | 0 | 0 | 0 | 111.4 | F530 L560 V565 V582 Y584 G588 T589 A590 C594 A595 A596 W609 | F530-I592 HydrophobicContact CB-CD1 3.83Å; F530-I592 HydrophobicContact CD1-CD1 4.16Å; F530-I592 HydrophobicContact CD1-CG1 4.48Å; F530-I592 HydrophobicContact CD2-CG2 4.32Å; F530-I592 HydrophobicContact CG-CD1 4.06Å; F530-I592 HydrophobicContact CG-CG2 4.49Å; L560-I592 HydrophobicContact CD1-CD1 4.22Å; L560-I592 HydrophobicContact CD2-CD1 4.21Å; L560-I592 HydrophobicContact CD2-CG1 4.04Å; V565-I592 HydrophobicContact CG1-CB 4.28Å; V565-I592 HydrophobicContact CG1-CG1 3.91Å; V565-I592 HydrophobicContact CG1-CG2 4.39Å; V565-I592 HydrophobicContact CG2-CG1 4.09Å; V582-I592 HydrophobicContact CG1-CD1 3.64Å; V582-I592 HydrophobicContact CG2-CG2 4.01Å; Y584-I592 HydrophobicContact CD2-CD1 3.48Å; Y584-I592 VanDerWaalsContact CD2-CD1 3.48Å; Y584-I592 HydrophobicContact CE2-CD1 3.84Å; Y584-I592 HydrophobicContact CG-CD1 4.41Å; G588-I592 WeakPolarHBondContact O-CD1 3.43Å; G588-I592 WeakPolarHBondContact O-CG1 3.17Å; G588-I592 PolarHBondContact O-N 3.38Å; G588-I592 VanDerWaalsContact O-N 3.14Å; T589-I592 PolarHBondContact O-N 3.37Å; A590-I592 VanDerWaalsContact C-N 3.3Å; A590-I592 PolarHBondContact O-N 3.02Å; I592-C594 VanDerWaalsContact C-N 3.33Å; I592-C594 PolarHBondContact O-N 3.19Å; I592-A595 PolarHBondContact O-N 3.04Å; I592-A596 WeakPolarHBondContact O-CB 3.21Å; I592-A596 PolarHBondContact O-N 3.33Å; I592-W609 HydrophobicContact CG2-CH2 4.28Å; I592-W609 HydrophobicContact CG2-CZ3 3.72Å |
| 593 | L | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.7 | -68.8 | 179.2 | 0 | 0 | 0 | 111.3 | T589 A590 A595 A596 Y597 W609 L611 W619 M635 I638 T639 T642 | T589-L593 HydrophobicContact CG2-CD1 3.9Å; T589-L593 HydrophobicContact CG2-CG 4.29Å; T589-L593 WeakPolarHBondContact O-CB 3.44Å; T589-L593 WeakPolarHBondContact O-CG 3.48Å; T589-L593 PolarHBondContact O-N 2.99Å; A590-L593 PolarHBondContact O-N 3.06Å; L593-A595 PolarHBondContact O-N 3.08Å; L593-A596 PolarHBondContact O-N 3.04Å; L593-Y597 WeakPolarHBondContact O-CB 3.39Å; L593-Y597 PolarHBondContact O-N 3.29Å; L593-W609 HydrophobicContact CD2-CB 4.35Å; L593-W609 HydrophobicContact CD2-CD2 4.06Å; L593-W609 HydrophobicContact CD2-CE3 4.05Å; L593-W609 HydrophobicContact CD2-CG 4.19Å; L593-L611 HydrophobicContact CD1-CD1 3.94Å; L593-L611 HydrophobicContact CD1-CD2 4.19Å; L593-L611 HydrophobicContact CD2-CD2 4.28Å; L593-W619 HydrophobicContact CD1-CH2 4.26Å; L593-W619 HydrophobicContact CD1-CZ2 4.07Å; L593-M635 HydrophobicContact CB-CE 4.47Å; L593-I638 HydrophobicContact CB-CD1 3.96Å; L593-I638 HydrophobicContact CB-CG1 4.49Å; L593-I638 HydrophobicContact CB-CG2 3.93Å; L593-I638 HydrophobicContact CD2-CD1 3.9Å; L593-I638 HydrophobicContact CD2-CG1 4.25Å; L593-I638 WeakPolarHBondContact O-CD1 3.46Å; L593-T639 HydrophobicContact CD1-CG2 4.01Å; L593-T642 HydrophobicContact CD1-CG2 4.45Å; L593-T642 HydrophobicContact CD2-CG2 4.38Å |
| 594 | C | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 175.9 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | A590 I592 A596 Y597 H598 P627 C630 M635 | A590-C594 WeakPolarHBondContact O-CB 3.36Å; A590-C594 PolarHBondContact O-N 3.29Å; I592-C594 VanDerWaalsContact C-N 3.33Å; I592-C594 PolarHBondContact O-N 3.19Å; C594-A596 VanDerWaalsContact C-N 3.33Å; C594-A596 PolarHBondContact O-N 3.49Å; C594-Y597 PolarHBondContact O-N 2.93Å; C594-H598 PolarHBondContact O-N 2.75Å; C594-H598 VanDerWaalsContact O-N 3.14Å; C594-P627 HydrophobicContact CB-CB 4.24Å; C594-P627 HydrophobicContact CB-CG 3.65Å; C594-C630 WeakPolarHBondContact CA-SG 3.41Å; C594-C630 HydrophobicContact CB-CB 3.9Å; C594-C630 WeakPolarHBondContact CB-SG 3.42Å; C594-C630 WeakPolarHBondContact SG-CB 3.23Å; C594-C630 PolarHBondContact SG-N 2.97Å; C594-C630 VanDerWaalsContact SG-N 3.45Å; C594-C630 CovalentContact SG-SG 2.03Å; C594-C630 PolarHBondContact SG-SG 2.97Å; C594-M635 HydrophobicContact CB-SD 4.01Å |
| 595 | A | 95 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y562 V565 L566 L569 I591 I592 L593 L599 | Y562-A595 HydrophobicContact CD2-CB 4.03Å; Y562-A595 HydrophobicContact CE2-CB 3.73Å; V565-A595 HydrophobicContact CB-CB 4.45Å; V565-A595 HydrophobicContact CG1-CB 4.03Å; L566-A595 HydrophobicContact CD1-CB 4.27Å; L569-A595 HydrophobicContact CD1-CB 3.91Å; I591-A595 WeakPolarHBondContact O-CB 3.46Å; I591-A595 PolarHBondContact O-N 2.79Å; I592-A595 PolarHBondContact O-N 3.04Å; L593-A595 PolarHBondContact O-N 3.08Å; A595-L599 WeakPolarHBondContact O-CG 3.24Å; A595-L599 PolarHBondContact O-N 2.86Å |
| 596 | A | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L569 I592 L593 C594 H598 L599 G600 M601 W609 I638 | L569-A596 HydrophobicContact CD1-CB 3.98Å; I592-A596 WeakPolarHBondContact O-CB 3.21Å; I592-A596 PolarHBondContact O-N 3.33Å; L593-A596 PolarHBondContact O-N 3.04Å; C594-A596 VanDerWaalsContact C-N 3.33Å; C594-A596 PolarHBondContact O-N 3.49Å; A596-H598 VanDerWaalsContact C-N 3.34Å; A596-H598 PolarHBondContact O-N 3.46Å; A596-L599 CarbonylContact O-C 3.59Å; A596-L599 PolarHBondContact O-N 3.23Å; A596-L599 VanDerWaalsContact O-N 3.07Å; A596-G600 PolarHBondContact O-N 2.83Å; A596-M601 HydrophobicContact CB-CB 4.15Å; A596-M601 WeakPolarHBondContact O-CB 3.25Å; A596-M601 PolarHBondContact O-N 3.08Å; A596-W609 HydrophobicContact CB-CH2 3.64Å; A596-W609 HydrophobicContact CB-CZ2 3.29Å; A596-I638 HydrophobicContact CB-CD1 4.04Å |
| 597 | Y | 92.8 | Very high | 90.4 | Very high | 56 Ų | 56 | 26.3 Ų | 26.3 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -46 | 177.8 | -172.2 | -100.5 | 0 | 0 | 0 | 111.4 | L593 C594 L599 G600 H602 E634 N637 I638 | L593-Y597 WeakPolarHBondContact O-CB 3.39Å; L593-Y597 PolarHBondContact O-N 3.29Å; C594-Y597 PolarHBondContact O-N 2.93Å; Y597-L599 PolarHBondContact O-N 2.84Å; Y597-G600 PolarHBondContact O-N 2.87Å; Y597-H602 HydrophobicContact CD2-CB 4.34Å; Y597-E634 HydrophobicContact CD1-CB 3.85Å; Y597-E634 HydrophobicContact CD1-CG 3.97Å; Y597-E634 HydrophobicContact CE1-CB 3.78Å; Y597-E634 HydrophobicContact CE1-CG 3.51Å; Y597-N637 HydrophobicContact CE2-CB 4.12Å; Y597-N637 WeakPolarHBondContact CE2-ND2 3.46Å; Y597-N637 PolarHBondContact OH-ND2 3.24Å; Y597-N637 VanDerWaalsContact OH-ND2 3.09Å; Y597-I638 HydrophobicContact CD2-CB 3.95Å; Y597-I638 HydrophobicContact CG-CB 4.44Å |
| 598 | H | 94.1 | Very high | 90.7 | Very high | 76 Ų | 76 | 20.9 Ų | 20.9 | 35% | 0.352 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.5 | -20.6 | 177.1 | -72.5 | -173.2 | 0 | 0 | 0 | 114.5 | Y562 C594 A596 G600 E629 C630 E634 | Y562-H598 AromaticContact CZ-ND1 3.74Å; Y562-H598 WeakPolarHBondContact OH-CB 3.47Å; Y562-H598 PolarHBondContact OH-ND1 2.77Å; C594-H598 PolarHBondContact O-N 2.75Å; C594-H598 VanDerWaalsContact O-N 3.14Å; A596-H598 VanDerWaalsContact C-N 3.34Å; A596-H598 PolarHBondContact O-N 3.46Å; H598-G600 VanDerWaalsContact C-N 3.33Å; H598-E629 PolarHBondContact CE1-O 3.37Å; H598-C630 PolarHBondContact NE2-SG 3.27Å; H598-C630 VanDerWaalsContact NE2-SG 3.45Å; H598-E634 IonicContact NE2-OE1 2.98Å; H598-E634 IonicContact NE2-OE2 3.4Å |
| 599 | L | 92.5 | Very high | 90.8 | Very high | 44 Ų | 44 | 21.1 Ų | 21.1 | 23% | 0.23 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.4 | 172.8 | -70.1 | 174.8 | 0 | 0 | 0 | 113 | L566 L569 K570 A595 A596 Y597 M601 | L566-L599 HydrophobicContact CD1-CD1 3.74Å; L566-L599 HydrophobicContact CD1-CD2 3.83Å; L566-L599 HydrophobicContact CD1-CG 3.61Å; L566-L599 HydrophobicContact CG-CD1 4.47Å; L569-L599 HydrophobicContact CB-CD1 3.43Å; L569-L599 VanDerWaalsContact CB-CD1 3.43Å; L569-L599 HydrophobicContact CD1-CD1 4.29Å; K570-L599 HydrophobicContact CD-CD2 4.49Å; K570-L599 HydrophobicContact CG-CD1 4.11Å; K570-L599 HydrophobicContact CG-CD2 3.87Å; A595-L599 WeakPolarHBondContact O-CG 3.24Å; A595-L599 PolarHBondContact O-N 2.86Å; A596-L599 CarbonylContact O-C 3.59Å; A596-L599 PolarHBondContact O-N 3.23Å; A596-L599 VanDerWaalsContact O-N 3.07Å; Y597-L599 PolarHBondContact O-N 2.84Å; L599-M601 HydrophobicContact CB-CG 3.87Å; L599-M601 HydrophobicContact CB-SD 3.97Å; L599-M601 HydrophobicContact CD1-SD 4Å; L599-M601 PolarHBondContact O-N 3Å |
| 600 | G | 90.8 | Very high | 90.8 | Very high | 28 Ų | 28 | 21.5 Ų | 21.5 | 29% | 0.289 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 19.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A596 Y597 H598 H602 A605 | A596-G600 PolarHBondContact O-N 2.83Å; Y597-G600 PolarHBondContact O-N 2.87Å; H598-G600 VanDerWaalsContact C-N 3.33Å; G600-H602 PolarHBondContact O-N 2.82Å; G600-H602 VanDerWaalsContact O-N 3.13Å; G600-A605 WeakPolarHBondContact O-CB 3.49Å |
| 601 | M | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -88.3 | 50.8 | -179.2 | -58.5 | 175.3 | 71.7 | 0 | 0 | 111.3 | L569 N573 F580 A596 L599 Y607 W609 | L569-M601 HydrophobicContact CB-SD 3.93Å; L569-M601 HydrophobicContact CD2-CE 4.1Å; L569-M601 HydrophobicContact CD2-SD 4.26Å; L569-M601 HydrophobicContact CG-SD 4.49Å; N573-M601 HydrophobicContact CB-SD 4.47Å; F580-M601 HydrophobicContact CE1-CE 4.13Å; F580-M601 HydrophobicContact CE2-CE 3.7Å; F580-M601 HydrophobicContact CZ-CE 3.36Å; A596-M601 HydrophobicContact CB-CB 4.15Å; A596-M601 WeakPolarHBondContact O-CB 3.25Å; A596-M601 PolarHBondContact O-N 3.08Å; L599-M601 HydrophobicContact CB-CG 3.87Å; L599-M601 HydrophobicContact CB-SD 3.97Å; L599-M601 HydrophobicContact CD1-SD 4Å; L599-M601 PolarHBondContact O-N 3Å; M601-Y607 HydrophobicContact CB-CD1 3.95Å; M601-Y607 HydrophobicContact CB-CD2 4.19Å; M601-Y607 HydrophobicContact CB-CE1 4.01Å; M601-Y607 HydrophobicContact CB-CE2 4.24Å; M601-Y607 HydrophobicContact CB-CG 4.02Å; M601-Y607 HydrophobicContact CE-CD1 4.01Å; M601-Y607 HydrophobicContact CE-CE1 3.6Å; M601-Y607 HydrophobicContact CG-CD1 4.33Å; M601-Y607 HydrophobicContact CG-CE1 3.87Å; M601-Y607 HydrophobicContact CG-CE2 4.29Å; M601-W609 HydrophobicContact CB-CZ2 4.24Å; M601-W609 HydrophobicContact CE-CZ2 4.49Å; M601-W609 PolarHBondContact O-NE1 3.14Å | ||
| 602 | H | 86.4 | Confident | 90.3 | Very high | 55 Ų | 55 | 21 Ų | 21 | 26% | 0.255 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -106.8 | 172.2 | 179.6 | 55.6 | 71.9 | 0 | 0 | 0 | 111.5 | Y597 G600 D604 A605 Y607 | Y597-H602 HydrophobicContact CD2-CB 4.34Å; G600-H602 PolarHBondContact O-N 2.82Å; G600-H602 VanDerWaalsContact O-N 3.13Å; H602-D604 PolarHBondContact O-N 3.33Å; H602-A605 WeakPolarHBondContact O-CB 3.26Å; H602-A605 PolarHBondContact O-N 3.39Å; H602-Y607 PolarHBondContact O-N 2.91Å |
| 603 | F | 85.7 | Confident | 89.5 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -57.6 | -44.1 | -171.5 | -172.4 | -100.3 | 0 | 0 | 0 | 114.9 | A605 G606 Y607 V608 W641 F643 W907 | F603-A605 PolarHBondContact O-N 2.83Å; F603-A605 VanDerWaalsContact O-N 3.09Å; F603-G606 PolarHBondContact O-N 3.48Å; F603-Y607 VanDerWaalsContact CA-O 3.27Å; F603-Y607 WeakPolarHBondContact CA-O 3.44Å; F603-V608 HydrophobicContact CE2-CG2 4.43Å; F603-W641 HydrophobicContact CB-CB 3.31Å; F603-W641 HydrophobicContact CB-CD2 4.14Å; F603-W641 HydrophobicContact CB-CE3 4.48Å; F603-W641 HydrophobicContact CB-CG 3.64Å; F603-W641 HydrophobicContact CD1-CB 4.25Å; F603-W641 AromaticContact CD1-CD2 3.66Å; F603-W641 HydrophobicContact CD1-CD2 3.66Å; F603-W641 AromaticContact CD1-CE3 3.27Å; F603-W641 HydrophobicContact CD1-CE3 3.27Å; F603-W641 HydrophobicContact CD1-CG 4.09Å; F603-W641 AromaticContact CD1-CZ3 3.79Å; F603-W641 HydrophobicContact CD1-CZ3 3.79Å; F603-W641 HydrophobicContact CD2-CB 4.17Å; F603-W641 HydrophobicContact CE1-CD2 4.27Å; F603-W641 AromaticContact CE1-CE3 3.41Å; F603-W641 HydrophobicContact CE1-CE3 3.41Å; F603-W641 VanDerWaalsContact CE1-CE3 3.41Å; F603-W641 AromaticContact CE1-CZ3 3.59Å; F603-W641 HydrophobicContact CE1-CZ3 3.59Å; F603-W641 HydrophobicContact CG-CB 3.68Å; F603-W641 HydrophobicContact CG-CD2 4.05Å; F603-W641 AromaticContact CG-CE3 3.89Å; F603-W641 HydrophobicContact CG-CE3 3.89Å; F603-W641 AromaticContact CG-CG 3.99Å; F603-W641 HydrophobicContact CG-CG 3.99Å; F603-W641 HydrophobicContact CZ-CE3 4.14Å; F603-W641 HydrophobicContact CZ-CZ3 4.47Å; F603-F643 HydrophobicContact CD2-CE2 4.45Å; F603-F643 AromaticContact CE2-CE2 3.86Å; F603-F643 HydrophobicContact CE2-CE2 3.86Å; F603-F643 HydrophobicContact CE2-CZ 4.3Å; F603-W907 WeakPolarHBondContact CE1-O 3.14Å; F603-W907 HydrophobicContact CE2-CE3 4.19Å; F603-W907 HydrophobicContact CE2-CZ3 4.48Å; F603-W907 HydrophobicContact CZ-CE3 4.07Å |
| 604 | D | 81.4 | Confident | 88.3 | Confident | 82 Ų | 82 | 25.3 Ų | 25.3 | 44% | 0.439 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -62.5 | -18.4 | 177.1 | -61 | -37 | 0 | 0 | 0 | 113.9 | H602 G606 | H602-D604 PolarHBondContact O-N 3.33Å; D604-G606 VanDerWaalsContact C-N 3.32Å |
| 605 | A | 84.3 | Confident | 87.3 | Confident | 48 Ų | 48 | 25.9 Ų | 25.9 | 40% | 0.397 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -92.7 | 10.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G600 H602 F603 Y607 | G600-A605 WeakPolarHBondContact O-CB 3.49Å; H602-A605 WeakPolarHBondContact O-CB 3.26Å; H602-A605 PolarHBondContact O-N 3.39Å; F603-A605 PolarHBondContact O-N 2.83Å; F603-A605 VanDerWaalsContact O-N 3.09Å; A605-Y607 HydrophobicContact CB-CD2 3.81Å; A605-Y607 HydrophobicContact CB-CE2 3.91Å; A605-Y607 WeakPolarHBondContact O-CD2 3.35Å; A605-Y607 WeakPolarHBondContact O-CE2 3.45Å |
| 606 | G | 86.3 | Confident | 86 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 20.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F603 D604 | F603-G606 PolarHBondContact O-N 3.48Å; D604-G606 VanDerWaalsContact C-N 3.32Å |
| 607 | Y | 90.3 | Very high | 84.8 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | trans | -103.8 | 136.5 | 179.6 | -65.4 | -95.3 | 0 | 0 | 0 | 112.4 | N573 S577 R578 F580 M601 H602 F603 A605 | N573-Y607 PolarHBondContact OD1-OH 2.73Å; S577-Y607 VanDerWaalsContact O-CE1 3.27Å; S577-Y607 WeakPolarHBondContact O-CE1 3.34Å; R578-Y607 VanDerWaalsContact NH1-CZ 3.31Å; R578-Y607 PolarHBondContact NH1-OH 3.03Å; R578-Y607 WeakPolarHBondContact O-CA 3.39Å; F580-Y607 HydrophobicContact CD2-CD1 4.38Å; F580-Y607 AromaticContact CE2-CD1 3.8Å; F580-Y607 HydrophobicContact CE2-CD1 3.8Å; F580-Y607 HydrophobicContact CE2-CE1 4.22Å; M601-Y607 HydrophobicContact CB-CD1 3.95Å; M601-Y607 HydrophobicContact CB-CD2 4.19Å; M601-Y607 HydrophobicContact CB-CE1 4.01Å; M601-Y607 HydrophobicContact CB-CE2 4.24Å; M601-Y607 HydrophobicContact CB-CG 4.02Å; M601-Y607 HydrophobicContact CE-CD1 4.01Å; M601-Y607 HydrophobicContact CE-CE1 3.6Å; M601-Y607 HydrophobicContact CG-CD1 4.33Å; M601-Y607 HydrophobicContact CG-CE1 3.87Å; M601-Y607 HydrophobicContact CG-CE2 4.29Å; H602-Y607 PolarHBondContact O-N 2.91Å; F603-Y607 VanDerWaalsContact CA-O 3.27Å; F603-Y607 WeakPolarHBondContact CA-O 3.44Å; A605-Y607 HydrophobicContact CB-CD2 3.81Å; A605-Y607 HydrophobicContact CB-CE2 3.91Å; A605-Y607 WeakPolarHBondContact O-CD2 3.35Å; A605-Y607 WeakPolarHBondContact O-CE2 3.45Å | ||
| 608 | V | 91.2 | Very high | 84 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.5 | -179.7 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | W524 R578 I579 F580 F603 F610 F643 W907 P914 | W524-V608 HydrophobicContact CH2-CB 4.15Å; W524-V608 HydrophobicContact CH2-CG1 4.01Å; W524-V608 HydrophobicContact CH2-CG2 3.89Å; W524-V608 HydrophobicContact CZ2-CG2 4.13Å; W524-V608 HydrophobicContact CZ3-CG1 4.44Å; R578-V608 PolarHBondContact O-N 3.49Å; I579-V608 HydrophobicContact CD1-CB 3.97Å; I579-V608 HydrophobicContact CD1-CG2 3.97Å; F580-V608 PolarHBondContact N-O 2.93Å; F603-V608 HydrophobicContact CE2-CG2 4.43Å; V608-F610 HydrophobicContact CG1-CD2 4.25Å; V608-F610 HydrophobicContact CG1-CE2 3.59Å; V608-F610 HydrophobicContact CG1-CZ 4.2Å; V608-F643 HydrophobicContact CG1-CD2 3.63Å; V608-F643 HydrophobicContact CG1-CE2 3.81Å; V608-F643 HydrophobicContact CG1-CG 4.5Å; V608-W907 HydrophobicContact CG2-CZ3 4.32Å; V608-P914 HydrophobicContact CG2-CG 3.66Å |
| 609 | W | 93 | Very high | 83.2 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117.7 | -175.5 | -65.9 | 88.5 | 0 | 0 | 0 | 111.2 | L569 F580 V582 I592 L593 A596 M601 T642 F643 | L569-W609 HydrophobicContact CD2-CH2 3.8Å; F580-W609 HydrophobicContact CB-CD2 3.82Å; F580-W609 HydrophobicContact CB-CE3 3.42Å; F580-W609 VanDerWaalsContact CB-CE3 3.42Å; F580-W609 HydrophobicContact CB-CH2 3.96Å; F580-W609 HydrophobicContact CB-CZ2 4.31Å; F580-W609 HydrophobicContact CB-CZ3 3.5Å; F580-W609 AromaticContact CD1-CH2 3.77Å; F580-W609 HydrophobicContact CD1-CH2 3.77Å; F580-W609 HydrophobicContact CD1-CZ2 4.4Å; F580-W609 AromaticContact CD1-CZ3 3.94Å; F580-W609 HydrophobicContact CD1-CZ3 3.94Å; F580-W609 HydrophobicContact CD2-CH2 4.16Å; F580-W609 AromaticContact CD2-CZ2 3.99Å; F580-W609 HydrophobicContact CD2-CZ2 3.99Å; F580-W609 HydrophobicContact CE1-CH2 4.33Å; F580-W609 HydrophobicContact CE2-CZ2 4.48Å; F580-W609 HydrophobicContact CG-CD2 4.36Å; F580-W609 HydrophobicContact CG-CE3 4.09Å; F580-W609 AromaticContact CG-CH2 3.68Å; F580-W609 HydrophobicContact CG-CH2 3.68Å; F580-W609 AromaticContact CG-CZ2 3.96Å; F580-W609 HydrophobicContact CG-CZ2 3.96Å; F580-W609 AromaticContact CG-CZ3 3.75Å; F580-W609 HydrophobicContact CG-CZ3 3.75Å; F580-W609 WeakPolarHBondContact O-CA 3.35Å; V582-W609 HydrophobicContact CG2-CE3 3.75Å; V582-W609 HydrophobicContact CG2-CZ3 3.93Å; I592-W609 HydrophobicContact CG2-CH2 4.28Å; I592-W609 HydrophobicContact CG2-CZ3 3.72Å; L593-W609 HydrophobicContact CD2-CB 4.35Å; L593-W609 HydrophobicContact CD2-CD2 4.06Å; L593-W609 HydrophobicContact CD2-CE3 4.05Å; L593-W609 HydrophobicContact CD2-CG 4.19Å; A596-W609 HydrophobicContact CB-CH2 3.64Å; A596-W609 HydrophobicContact CB-CZ2 3.29Å; M601-W609 HydrophobicContact CB-CZ2 4.24Å; M601-W609 HydrophobicContact CE-CZ2 4.49Å; M601-W609 PolarHBondContact O-NE1 3.14Å; W609-T642 HydrophobicContact CB-CG2 4.1Å; W609-T642 WeakPolarHBondContact O-CA 3.4Å; W609-F643 PolarHBondContact O-N 2.85Å |
| 610 | F | 92 | Very high | 82.7 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.8 | 172.7 | -71.5 | -94.9 | 0 | 0 | 0 | 110.7 | L515 F519 W522 W524 I579 F580 M581 V582 V608 F643 L846 | L515-F610 HydrophobicContact CD2-CD1 3.65Å; L515-F610 HydrophobicContact CD2-CE1 3.78Å; L515-F610 HydrophobicContact CD2-CG 4.34Å; F519-F610 HydrophobicContact CE1-CD2 4.19Å; F519-F610 HydrophobicContact CE1-CE1 4.34Å; F519-F610 AromaticContact CE1-CE2 3.62Å; F519-F610 HydrophobicContact CE1-CE2 3.62Å; F519-F610 AromaticContact CE1-CZ 3.74Å; F519-F610 HydrophobicContact CE1-CZ 3.74Å; F519-F610 HydrophobicContact CZ-CD2 4.14Å; F519-F610 HydrophobicContact CZ-CE2 4.02Å; F519-F610 HydrophobicContact CZ-CZ 4.46Å; W522-F610 HydrophobicContact CH2-CZ 4.36Å; W522-F610 AromaticContact CZ3-CZ 3.86Å; W522-F610 HydrophobicContact CZ3-CZ 3.86Å; W524-F610 AromaticContact CZ3-CE2 3.97Å; W524-F610 HydrophobicContact CZ3-CE2 3.97Å; W524-F610 HydrophobicContact CZ3-CZ 4.25Å; I579-F610 HydrophobicContact CG2-CE2 4.36Å; F580-F610 PolarHBondContact O-N 3Å; M581-F610 HydrophobicContact CG-CB 4.09Å; V582-F610 PolarHBondContact N-O 3.43Å; V608-F610 HydrophobicContact CG1-CD2 4.25Å; V608-F610 HydrophobicContact CG1-CE2 3.59Å; V608-F610 HydrophobicContact CG1-CZ 4.2Å; F610-F643 CarbonylContact C-O 3.58Å; F610-F643 WeakPolarHBondContact CA-O 3.43Å; F610-F643 HydrophobicContact CD1-CB 3.67Å; F610-F643 HydrophobicContact CE1-CB 3.53Å; F610-F643 HydrophobicContact CE1-CG 4.22Å; F610-F643 HydrophobicContact CG-CB 4.23Å; F610-F643 HydrophobicContact CZ-CB 3.96Å; F610-F643 HydrophobicContact CZ-CG 4.24Å; F610-L846 HydrophobicContact CE1-CD1 3.97Å |
| 611 | L | 90 | Very high | 82.2 | Confident | 10 Ų | 10 | 28.5 Ų | 28.5 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 161.7 | -179.2 | -51.6 | -174.1 | 0 | 0 | 0 | 111.8 | V582 T589 L593 L615 W619 T642 F643 | V582-L611 HydrophobicContact CB-CD2 3.94Å; V582-L611 HydrophobicContact CG2-CD2 4.23Å; T589-L611 HydrophobicContact CG2-CD1 4.29Å; T589-L611 HydrophobicContact CG2-CD2 3.78Å; L593-L611 HydrophobicContact CD1-CD1 3.94Å; L593-L611 HydrophobicContact CD1-CD2 4.19Å; L593-L611 HydrophobicContact CD2-CD2 4.28Å; L611-L615 HydrophobicContact CB-CD1 4.05Å; L611-L615 HydrophobicContact CD1-CD1 4.36Å; L611-W619 HydrophobicContact CD1-CZ2 4.35Å; L611-T642 HydrophobicContact CD1-CG2 3.68Å; L611-T642 WeakPolarHBondContact CD1-OG1 3.19Å; L611-T642 HydrophobicContact CG-CG2 4.04Å; L611-F643 PolarHBondContact N-O 2.84Å |
| 612 | N | 83.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | trans | -64.8 | 142.7 | 175.6 | -73.2 | -34.5 | 0 | 0 | 0 | 113.6 | F536 E583 Y584 W614 L615 | F536-N612 WeakPolarHBondContact CE1-OD1 3.35Å; E583-N612 VanDerWaalsContact CA-ND2 3.34Å; E583-N612 WeakPolarHBondContact CA-ND2 3.28Å; Y584-N612 PolarHBondContact N-ND2 3.48Å; Y584-N612 VanDerWaalsContact N-ND2 3.19Å; Y584-N612 PolarHBondContact O-ND2 2.73Å; N612-W614 HydrophobicContact CB-CD2 3.73Å; N612-W614 HydrophobicContact CB-CE3 4Å; N612-W614 HydrophobicContact CB-CG 4.45Å; N612-W614 HydrophobicContact CB-CH2 3.69Å; N612-W614 HydrophobicContact CB-CZ2 3.43Å; N612-W614 VanDerWaalsContact CB-CZ2 3.43Å; N612-W614 HydrophobicContact CB-CZ3 3.95Å; N612-W614 WeakPolarHBondContact ND2-CH2 3.36Å; N612-W614 WeakPolarHBondContact ND2-CZ2 3.35Å; N612-W614 PolarHBondContact O-N 2.92Å; N612-W614 VanDerWaalsContact OD1-CH2 3.28Å; N612-W614 WeakPolarHBondContact OD1-CH2 3.38Å; N612-L615 HydrophobicContact CB-CD1 4.35Å; N612-L615 HydrophobicContact CB-CG 4.36Å; N612-L615 WeakPolarHBondContact O-CB 3.49Å; N612-L615 WeakPolarHBondContact O-CG 3.42Å; N612-L615 PolarHBondContact O-N 3.39Å | ||
| 613 | P | 75.6 | Confident | 80.9 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -18.8 | -174.7 | 30.9 | -37.5 | 0 | 0 | 0 | 116.5 | M508 L615 T644 V645 I650 | M508-P613 HydrophobicContact CE-CG 3.44Å; M508-P613 VanDerWaalsContact CE-CG 3.44Å; M508-P613 HydrophobicContact SD-CG 4.1Å; P613-L615 PolarHBondContact O-N 2.98Å; P613-T644 HydrophobicContact CB-CG2 3.65Å; P613-V645 WeakPolarHBondContact CB-O 3.43Å; P613-V645 WeakPolarHBondContact CG-O 3.06Å; P613-I650 HydrophobicContact CB-CG2 4.07Å; P613-I650 HydrophobicContact CG-CG2 4.4Å |
| 614 | W | 69.2 | Low | 80.6 | Confident | 81 Ų | 81 | 39.6 Ų | 39.6 | 31% | 0.307 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -2.9 | 176.4 | 54.8 | 82 | 0 | 0 | 0 | 113.6 | M508 F536 N612 I650 | M508-W614 HydrophobicContact CE-CZ3 4.48Å; F536-W614 HydrophobicContact CE1-CH2 4.26Å; F536-W614 HydrophobicContact CE1-CZ3 4.41Å; N612-W614 HydrophobicContact CB-CD2 3.73Å; N612-W614 HydrophobicContact CB-CE3 4Å; N612-W614 HydrophobicContact CB-CG 4.45Å; N612-W614 HydrophobicContact CB-CH2 3.69Å; N612-W614 HydrophobicContact CB-CZ2 3.43Å; N612-W614 VanDerWaalsContact CB-CZ2 3.43Å; N612-W614 HydrophobicContact CB-CZ3 3.95Å; N612-W614 WeakPolarHBondContact ND2-CH2 3.36Å; N612-W614 WeakPolarHBondContact ND2-CZ2 3.35Å; N612-W614 PolarHBondContact O-N 2.92Å; N612-W614 VanDerWaalsContact OD1-CH2 3.28Å; N612-W614 WeakPolarHBondContact OD1-CH2 3.38Å; W614-I650 HydrophobicContact CB-CD1 4.19Å |
| 615 | L | 74.5 | Confident | 80.7 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | trans | -77.3 | 119.4 | 173.9 | -63.6 | 177.2 | 0 | 0 | 0 | 109.1 | A586 T589 L611 N612 P613 W619 | A586-L615 HydrophobicContact CB-CD2 4.09Å; T589-L615 HydrophobicContact CG2-CD1 4.05Å; L611-L615 HydrophobicContact CB-CD1 4.05Å; L611-L615 HydrophobicContact CD1-CD1 4.36Å; N612-L615 HydrophobicContact CB-CD1 4.35Å; N612-L615 HydrophobicContact CB-CG 4.36Å; N612-L615 WeakPolarHBondContact O-CB 3.49Å; N612-L615 WeakPolarHBondContact O-CG 3.42Å; N612-L615 PolarHBondContact O-N 3.39Å; P613-L615 PolarHBondContact O-N 2.98Å; L615-W619 HydrophobicContact CB-CD2 4.38Å; L615-W619 HydrophobicContact CB-CG 3.95Å; L615-W619 HydrophobicContact CD1-CD2 4.42Å; L615-W619 HydrophobicContact CD1-CZ2 4.09Å; L615-W619 HydrophobicContact CD2-CB 4.5Å; L615-W619 HydrophobicContact CD2-CD2 3.9Å; L615-W619 HydrophobicContact CD2-CE3 4.32Å; L615-W619 HydrophobicContact CD2-CG 4.02Å; L615-W619 HydrophobicContact CG-CD2 4.46Å; L615-W619 HydrophobicContact CG-CG 4.46Å | ||
| 616 | S | 68 | Low | 80.8 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 23% | 0.231 | 20% | 0.2 | C | C | . | . | trans | -64.6 | -177.4 | 179.8 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | N618 W619 E652 | S616-N618 VanDerWaalsContact C-N 3.29Å; S616-N618 PolarHBondContact O-N 3.01Å; S616-W619 PolarHBondContact OG-N 3.02Å; S616-E652 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 617 | S | 68.9 | Low | 80.8 | Confident | 40 Ų | 40 | 36 Ų | 36 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.9 | 174.8 | 43.4 | 0 | 0 | 0 | 0 | 114.3 | W620 E652 | S617-W620 WeakPolarHBondContact O-CH2 3.15Å; S617-W620 WeakPolarHBondContact O-CZ3 3.4Å; S617-E652 WeakPolarHBondContact CB-OE2 3.15Å; S617-E652 PolarHBondContact N-OE1 2.89Å; S617-E652 PolarHBondContact OG-OE1 2.98Å; S617-E652 VanDerWaalsContact OG-OE1 3.07Å; S617-E652 PolarHBondContact OG-OE2 2.75Å |
| 618 | N | 74.5 | Confident | 80.8 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134 | 28.4 | -174 | -67.9 | -51.9 | 0 | 0 | 0 | 113.1 | S616 W620 Q621 Y737 | S616-N618 VanDerWaalsContact C-N 3.29Å; S616-N618 PolarHBondContact O-N 3.01Å; N618-W620 PolarHBondContact O-N 3.23Å; N618-W620 VanDerWaalsContact O-N 3.09Å; N618-Q621 HydrophobicContact CB-CG 4.34Å; N618-Q621 WeakPolarHBondContact O-CB 3.17Å; N618-Q621 PolarHBondContact O-N 2.83Å; N618-Q621 VanDerWaalsContact O-N 3.08Å; N618-Y737 PolarHBondContact O-OH 3.03Å |
| 619 | W | 78.4 | Confident | 80.8 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -56.8 | -28.3 | -173.9 | 61.6 | -88.6 | 0 | 0 | 0 | 114.1 | A586 T589 A590 L593 L611 L615 S616 Q621 V625 M635 T639 | A586-W619 HydrophobicContact CB-CD2 4.42Å; A586-W619 HydrophobicContact CB-CE3 3.6Å; A586-W619 HydrophobicContact CB-CZ3 4.17Å; A586-W619 WeakPolarHBondContact O-CZ3 3.19Å; T589-W619 HydrophobicContact CG2-CH2 3.57Å; T589-W619 HydrophobicContact CG2-CZ2 3.68Å; A590-W619 HydrophobicContact CB-CH2 4.07Å; A590-W619 HydrophobicContact CB-CZ3 3.73Å; L593-W619 HydrophobicContact CD1-CH2 4.26Å; L593-W619 HydrophobicContact CD1-CZ2 4.07Å; L611-W619 HydrophobicContact CD1-CZ2 4.35Å; L615-W619 HydrophobicContact CB-CD2 4.38Å; L615-W619 HydrophobicContact CB-CG 3.95Å; L615-W619 HydrophobicContact CD1-CD2 4.42Å; L615-W619 HydrophobicContact CD1-CZ2 4.09Å; L615-W619 HydrophobicContact CD2-CB 4.5Å; L615-W619 HydrophobicContact CD2-CD2 3.9Å; L615-W619 HydrophobicContact CD2-CE3 4.32Å; L615-W619 HydrophobicContact CD2-CG 4.02Å; L615-W619 HydrophobicContact CG-CD2 4.46Å; L615-W619 HydrophobicContact CG-CG 4.46Å; S616-W619 PolarHBondContact OG-N 3.02Å; W619-Q621 VanDerWaalsContact C-N 3.32Å; W619-Q621 PolarHBondContact O-N 3.25Å; W619-V625 HydrophobicContact CE3-CG1 3.78Å; W619-V625 HydrophobicContact CZ3-CG1 3.78Å; W619-M635 HydrophobicContact CH2-CE 4.44Å; W619-T639 HydrophobicContact CZ2-CG2 4.29Å |
| 620 | W | 80.8 | Confident | 80.7 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -79.3 | -8.9 | -178.6 | 60.5 | 87.9 | 0 | 0 | 0 | 114.5 | S617 N618 A622 H626 M635 T639 | S617-W620 WeakPolarHBondContact O-CH2 3.15Å; S617-W620 WeakPolarHBondContact O-CZ3 3.4Å; N618-W620 PolarHBondContact O-N 3.23Å; N618-W620 VanDerWaalsContact O-N 3.09Å; W620-A622 VanDerWaalsContact C-N 3.27Å; W620-H626 PolarHBondContact O-ND1 2.77Å; W620-M635 HydrophobicContact CB-CE 3.85Å; W620-M635 HydrophobicContact CG-CB 4.34Å; W620-M635 HydrophobicContact CG-CE 4.3Å; W620-T639 HydrophobicContact CD2-CG2 3.82Å; W620-T639 HydrophobicContact CE3-CG2 3.56Å; W620-T639 HydrophobicContact CG-CG2 4.47Å; W620-T639 HydrophobicContact CH2-CG2 4.1Å; W620-T639 WeakPolarHBondContact CH2-OG1 2.98Å; W620-T639 HydrophobicContact CZ2-CG2 4.35Å; W620-T639 WeakPolarHBondContact CZ2-OG1 3.34Å; W620-T639 HydrophobicContact CZ3-CG2 3.71Å |
| 621 | Q | 81.5 | Confident | 80.7 | Confident | 99 Ų | 99 | 54.4 Ų | 54.4 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -80.1 | -11.3 | 175.7 | -64.1 | -177.6 | -4.4 | 0 | 0 | 112.4 | N618 W619 | N618-Q621 HydrophobicContact CB-CG 4.34Å; N618-Q621 WeakPolarHBondContact O-CB 3.17Å; N618-Q621 PolarHBondContact O-N 2.83Å; N618-Q621 VanDerWaalsContact O-N 3.08Å; W619-Q621 VanDerWaalsContact C-N 3.32Å; W619-Q621 PolarHBondContact O-N 3.25Å |
| 622 | A | 76.8 | Confident | 80.6 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -62.2 | 130.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | W620 D624 V625 H626 | W620-A622 VanDerWaalsContact C-N 3.27Å; A622-D624 PolarHBondContact O-N 3.03Å; A622-D624 VanDerWaalsContact O-N 3.09Å; A622-V625 HydrophobicContact CB-CB 4.05Å; A622-V625 HydrophobicContact CB-CG2 3.78Å; A622-V625 WeakPolarHBondContact O-CB 3.17Å; A622-V625 PolarHBondContact O-N 2.86Å; A622-H626 PolarHBondContact O-N 2.91Å |
| 623 | P | 73.6 | Confident | 80.7 | Confident | 121 Ų | 121 | 67 Ų | 67 | 79% | 0.786 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.9 | -172.3 | -27.2 | 32.7 | 0 | 0 | 0 | 114.7 | V625 | P623-V625 VanDerWaalsContact C-N 3.35Š|
| 624 | D | 78.4 | Confident | 81.5 | Confident | 143 Ų | 143 | 69 Ų | 69 | 77% | 0.765 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -8.1 | -177.5 | -63.3 | -33 | 0 | 0 | 0 | 114.1 | A622 | A622-D624 PolarHBondContact O-N 3.03Å; A622-D624 VanDerWaalsContact O-N 3.09Å |
| 625 | V | 83.6 | Confident | 82.4 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -36.4 | -177.6 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | A586 A590 W619 A622 P623 P627 | A586-V625 HydrophobicContact CB-CG1 3.86Å; A586-V625 HydrophobicContact CB-CG2 3.91Å; A590-V625 HydrophobicContact CB-CG1 4.03Å; A590-V625 WeakPolarHBondContact CB-O 3.47Å; W619-V625 HydrophobicContact CE3-CG1 3.78Å; W619-V625 HydrophobicContact CZ3-CG1 3.78Å; A622-V625 HydrophobicContact CB-CB 4.05Å; A622-V625 HydrophobicContact CB-CG2 3.78Å; A622-V625 WeakPolarHBondContact O-CB 3.17Å; A622-V625 PolarHBondContact O-N 2.86Å; P623-V625 VanDerWaalsContact C-N 3.35Å; V625-P627 WeakPolarHBondContact O-CD 3.24Å |
| 626 | H | 86.2 | Confident | 82.9 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 17% | 0.167 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -61.2 | 117.1 | -174.8 | -162.5 | 73.5 | 0 | 0 | 0 | 111.3 | W620 A622 C630 T631 H632 | W620-H626 PolarHBondContact O-ND1 2.77Å; A622-H626 PolarHBondContact O-N 2.91Å; H626-C630 PolarHBondContact NE2-O 2.62Å; H626-T631 PolarHBondContact CE1-O 2.83Å; H626-H632 AromaticContact CD2-CE1 3.76Å; H626-H632 AromaticContact CD2-ND1 3.89Å; H626-H632 AromaticContact CE1-CE1 3.9Å; H626-H632 AromaticContact CE1-CG 3.88Å; H626-H632 AromaticContact CE1-ND1 3.53Å; H626-H632 AromaticContact NE2-CE1 3.63Å; H626-H632 AromaticContact NE2-ND1 3.28Å; H626-H632 PolarHBondContact NE2-ND1 3.33Å |
| 627 | P | 87.4 | Confident | 83.7 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 5% | 0.045 | 35% | 0.348 | C | S | . | . | trans | -68.1 | 139 | 179.7 | 25.6 | -28.3 | 0 | 0 | 0 | 109.3 | A590 I591 C594 V625 E629 C630 M635 | A590-P627 HydrophobicContact CB-CG 4.09Å; I591-P627 HydrophobicContact CG1-CB 4.32Å; C594-P627 HydrophobicContact CB-CB 4.24Å; C594-P627 HydrophobicContact CB-CG 3.65Å; V625-P627 WeakPolarHBondContact O-CD 3.24Å; P627-E629 PolarHBondContact O-N 3.37Å; P627-C630 HydrophobicContact CG-CB 4.34Å; P627-C630 PolarHBondContact O-N 2.79Å; P627-M635 HydrophobicContact CG-CG 4.42Å; P627-M635 HydrophobicContact CG-SD 3.92Å | ||
| 628 | R | 88.7 | Confident | 84.5 | Confident | 240 Ų | 240 | 67.5 Ų | 67.5 | 91% | 0.906 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.6 | -175.4 | -67.4 | -178.5 | 178 | -178.2 | -1.2 | 112.6 | ||
| 629 | E | 92.8 | Very high | 84.9 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.4 | -175.9 | -63.8 | 80.1 | -177 | 0 | 0 | 112.5 | Y562 H598 P627 | Y562-E629 HydrophobicContact CD1-CG 3.89Å; Y562-E629 HydrophobicContact CD2-CB 3.84Å; Y562-E629 HydrophobicContact CD2-CG 3.85Å; Y562-E629 HydrophobicContact CE1-CG 4.24Å; Y562-E629 HydrophobicContact CE2-CB 3.81Å; Y562-E629 HydrophobicContact CE2-CG 4.19Å; Y562-E629 HydrophobicContact CG-CB 4.22Å; Y562-E629 HydrophobicContact CG-CG 3.7Å; H598-E629 PolarHBondContact CE1-O 3.37Å; P627-E629 PolarHBondContact O-N 3.37Å |
| 630 | C | 91 | Very high | 84.8 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 5% | 0.054 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -109.5 | 157 | 179.1 | -76.6 | 0 | 0 | 0 | 0 | 112.5 | C594 H598 H626 P627 E634 M635 | C594-C630 WeakPolarHBondContact CA-SG 3.41Å; C594-C630 HydrophobicContact CB-CB 3.9Å; C594-C630 WeakPolarHBondContact CB-SG 3.42Å; C594-C630 WeakPolarHBondContact SG-CB 3.23Å; C594-C630 PolarHBondContact SG-N 2.97Å; C594-C630 VanDerWaalsContact SG-N 3.45Å; C594-C630 CovalentContact SG-SG 2.03Å; C594-C630 PolarHBondContact SG-SG 2.97Å; H598-C630 PolarHBondContact NE2-SG 3.27Å; H598-C630 VanDerWaalsContact NE2-SG 3.45Å; H626-C630 PolarHBondContact NE2-O 2.62Å; P627-C630 HydrophobicContact CG-CB 4.34Å; P627-C630 PolarHBondContact O-N 2.79Å; C630-E634 WeakPolarHBondContact CA-OE2 3.45Å; C630-E634 HydrophobicContact CB-CB 4.31Å; C630-M635 HydrophobicContact CB-CG 4.03Å; C630-M635 HydrophobicContact CB-SD 4.32Å |
| 631 | T | 91.7 | Very high | 84.6 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 44% | 0.436 | 33% | 0.325 | S | S | . | . | trans | -87.3 | 165.3 | 168.9 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | H626 E633 E634 M635 | H626-T631 PolarHBondContact CE1-O 2.83Å; T631-E633 VanDerWaalsContact C-N 3.26Å; T631-E633 PolarHBondContact O-N 3.44Å; T631-E634 PolarHBondContact N-OE2 2.99Å; T631-E634 PolarHBondContact O-N 2.94Å; T631-E634 WeakPolarHBondContact OG1-CG 3.34Å; T631-E634 PolarHBondContact OG1-N 2.83Å; T631-E634 PolarHBondContact OG1-OE2 3.17Å; T631-M635 PolarHBondContact O-N 2.83Å | ||
| 632 | H | 86.3 | Confident | 84.9 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 175.9 | -73 | 57.4 | 0 | 0 | 0 | 112.3 | H626 H636 | H626-H632 AromaticContact CD2-CE1 3.76Å; H626-H632 AromaticContact CD2-ND1 3.89Å; H626-H632 AromaticContact CE1-CE1 3.9Å; H626-H632 AromaticContact CE1-CG 3.88Å; H626-H632 AromaticContact CE1-ND1 3.53Å; H626-H632 AromaticContact NE2-CE1 3.63Å; H626-H632 AromaticContact NE2-ND1 3.28Å; H626-H632 PolarHBondContact NE2-ND1 3.33Å; H632-H636 VanDerWaalsContact O-CB 3.24Å; H632-H636 WeakPolarHBondContact O-CB 3.23Å; H632-H636 PolarHBondContact O-N 2.63Å |
| 633 | E | 87.9 | Confident | 85.4 | Confident | 162 Ų | 162 | 59.8 Ų | 59.8 | 76% | 0.757 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68.7 | -42.2 | 177.9 | -169 | 172.4 | -173.2 | 0 | 0 | 111.3 | T631 H636 N637 | T631-E633 VanDerWaalsContact C-N 3.26Å; T631-E633 PolarHBondContact O-N 3.44Å; E633-H636 PolarHBondContact O-N 2.83Å; E633-N637 WeakPolarHBondContact O-CB 3.4Å; E633-N637 PolarHBondContact O-N 3.11Å |
| 634 | E | 90.5 | Very high | 86.1 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 23% | 0.229 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.8 | -68.2 | 170.5 | 144.4 | 0 | 0 | 112 | Y597 H598 C630 T631 H636 N637 I638 | Y597-E634 HydrophobicContact CD1-CB 3.85Å; Y597-E634 HydrophobicContact CD1-CG 3.97Å; Y597-E634 HydrophobicContact CE1-CB 3.78Å; Y597-E634 HydrophobicContact CE1-CG 3.51Å; H598-E634 IonicContact NE2-OE1 2.98Å; H598-E634 IonicContact NE2-OE2 3.4Å; C630-E634 WeakPolarHBondContact CA-OE2 3.45Å; C630-E634 HydrophobicContact CB-CB 4.31Å; T631-E634 PolarHBondContact N-OE2 2.99Å; T631-E634 PolarHBondContact O-N 2.94Å; T631-E634 WeakPolarHBondContact OG1-CG 3.34Å; T631-E634 PolarHBondContact OG1-N 2.83Å; T631-E634 PolarHBondContact OG1-OE2 3.17Å; E634-H636 VanDerWaalsContact C-N 3.35Å; E634-H636 PolarHBondContact O-N 3.16Å; E634-N637 PolarHBondContact O-N 3.04Å; E634-I638 PolarHBondContact O-N 2.85Å |
| 635 | M | 89.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -43 | 175.7 | -78.5 | -57.1 | -55.1 | 0 | 0 | 111.7 | A590 L593 C594 W619 W620 P627 C630 T631 N637 I638 T639 | A590-M635 HydrophobicContact CB-CE 4.07Å; L593-M635 HydrophobicContact CB-CE 4.47Å; C594-M635 HydrophobicContact CB-SD 4.01Å; W619-M635 HydrophobicContact CH2-CE 4.44Å; W620-M635 HydrophobicContact CB-CE 3.85Å; W620-M635 HydrophobicContact CG-CB 4.34Å; W620-M635 HydrophobicContact CG-CE 4.3Å; P627-M635 HydrophobicContact CG-CG 4.42Å; P627-M635 HydrophobicContact CG-SD 3.92Å; C630-M635 HydrophobicContact CB-CG 4.03Å; C630-M635 HydrophobicContact CB-SD 4.32Å; T631-M635 PolarHBondContact O-N 2.83Å; M635-N637 VanDerWaalsContact C-N 3.33Å; M635-N637 PolarHBondContact O-N 3.33Å; M635-I638 WeakPolarHBondContact O-CG2 3.44Å; M635-T639 HydrophobicContact CE-CG2 4.21Å; M635-T639 WeakPolarHBondContact O-CB 3.32Å; M635-T639 WeakPolarHBondContact O-CG2 3.33Å; M635-T639 PolarHBondContact O-N 3.45Å; M635-T639 VanDerWaalsContact O-N 3.1Å; M635-T639 PolarHBondContact O-OG1 3.14Å |
| 636 | H | 85.2 | Confident | 86.2 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 35% | 0.352 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -40.7 | 175.5 | -179.9 | -81.3 | 0 | 0 | 0 | 111.9 | H632 E633 E634 T639 S640 | H632-H636 VanDerWaalsContact O-CB 3.24Å; H632-H636 WeakPolarHBondContact O-CB 3.23Å; H632-H636 PolarHBondContact O-N 2.63Å; E633-H636 PolarHBondContact O-N 2.83Å; E634-H636 VanDerWaalsContact C-N 3.35Å; E634-H636 PolarHBondContact O-N 3.16Å; H636-T639 PolarHBondContact O-OG1 3.19Å; H636-S640 WeakPolarHBondContact O-CB 3.33Å; H636-S640 PolarHBondContact O-N 3.38Å |
| 637 | N | 84.5 | Confident | 85.8 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.9 | -49 | -179.3 | -164 | 17.7 | 0 | 0 | 0 | 111.6 | Y597 E633 E634 M635 S640 | Y597-N637 HydrophobicContact CE2-CB 4.12Å; Y597-N637 WeakPolarHBondContact CE2-ND2 3.46Å; Y597-N637 PolarHBondContact OH-ND2 3.24Å; Y597-N637 VanDerWaalsContact OH-ND2 3.09Å; E633-N637 WeakPolarHBondContact O-CB 3.4Å; E633-N637 PolarHBondContact O-N 3.11Å; E634-N637 PolarHBondContact O-N 3.04Å; M635-N637 VanDerWaalsContact C-N 3.33Å; M635-N637 PolarHBondContact O-N 3.33Å; N637-S640 PolarHBondContact O-N 3.38Å; N637-S640 PolarHBondContact O-OG 3.48Å |
| 638 | I | 85.5 | Confident | 84.9 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.9 | -39.1 | -179.4 | -167.6 | 169.6 | 0 | 0 | 0 | 112.9 | L593 A596 Y597 E634 M635 S640 W641 T642 | L593-I638 HydrophobicContact CB-CD1 3.96Å; L593-I638 HydrophobicContact CB-CG1 4.49Å; L593-I638 HydrophobicContact CB-CG2 3.93Å; L593-I638 HydrophobicContact CD2-CD1 3.9Å; L593-I638 HydrophobicContact CD2-CG1 4.25Å; L593-I638 WeakPolarHBondContact O-CD1 3.46Å; A596-I638 HydrophobicContact CB-CD1 4.04Å; Y597-I638 HydrophobicContact CD2-CB 3.95Å; Y597-I638 HydrophobicContact CG-CB 4.44Å; E634-I638 PolarHBondContact O-N 2.85Å; M635-I638 WeakPolarHBondContact O-CG2 3.44Å; I638-S640 PolarHBondContact O-N 2.63Å; I638-W641 PolarHBondContact O-N 3.35Å; I638-T642 WeakPolarHBondContact O-CG2 3.44Å |
| 639 | T | 83.6 | Confident | 83.7 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -26.3 | -179.2 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | L593 W619 W620 M635 H636 W641 T642 | L593-T639 HydrophobicContact CD1-CG2 4.01Å; W619-T639 HydrophobicContact CZ2-CG2 4.29Å; W620-T639 HydrophobicContact CD2-CG2 3.82Å; W620-T639 HydrophobicContact CE3-CG2 3.56Å; W620-T639 HydrophobicContact CG-CG2 4.47Å; W620-T639 HydrophobicContact CH2-CG2 4.1Å; W620-T639 WeakPolarHBondContact CH2-OG1 2.98Å; W620-T639 HydrophobicContact CZ2-CG2 4.35Å; W620-T639 WeakPolarHBondContact CZ2-OG1 3.34Å; W620-T639 HydrophobicContact CZ3-CG2 3.71Å; M635-T639 HydrophobicContact CE-CG2 4.21Å; M635-T639 WeakPolarHBondContact O-CB 3.32Å; M635-T639 WeakPolarHBondContact O-CG2 3.33Å; M635-T639 PolarHBondContact O-N 3.45Å; M635-T639 VanDerWaalsContact O-N 3.1Å; M635-T639 PolarHBondContact O-OG1 3.14Å; H636-T639 PolarHBondContact O-OG1 3.19Å; T639-W641 PolarHBondContact O-N 3.47Å; T639-W641 VanDerWaalsContact O-N 3.07Å; T639-T642 PolarHBondContact O-N 3.31Å; T639-T642 PolarHBondContact O-OG1 2.84Å |
| 640 | S | 75.5 | Confident | 82.3 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -9.7 | -178.7 | 74.2 | 0 | 0 | 0 | 0 | 115.7 | H636 N637 I638 H849 | H636-S640 WeakPolarHBondContact O-CB 3.33Å; H636-S640 PolarHBondContact O-N 3.38Å; N637-S640 PolarHBondContact O-N 3.38Å; N637-S640 PolarHBondContact O-OG 3.48Å; I638-S640 PolarHBondContact O-N 2.63Å; S640-H849 CarbonylContact C-O 3.52Å; S640-H849 WeakPolarHBondContact CA-O 3.37Å; S640-H849 CarbonylContact O-C 3.57Å |
| 641 | W | 75.8 | Confident | 80.9 | Confident | 45 Ų | 45 | 33.6 Ų | 33.6 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 17.9 | -179.7 | -61.7 | 100.7 | 0 | 0 | 0 | 113.4 | F603 I638 T639 Q850 | F603-W641 HydrophobicContact CB-CB 3.31Å; F603-W641 HydrophobicContact CB-CD2 4.14Å; F603-W641 HydrophobicContact CB-CE3 4.48Å; F603-W641 HydrophobicContact CB-CG 3.64Å; F603-W641 HydrophobicContact CD1-CB 4.25Å; F603-W641 AromaticContact CD1-CD2 3.66Å; F603-W641 HydrophobicContact CD1-CD2 3.66Å; F603-W641 AromaticContact CD1-CE3 3.27Å; F603-W641 HydrophobicContact CD1-CE3 3.27Å; F603-W641 HydrophobicContact CD1-CG 4.09Å; F603-W641 AromaticContact CD1-CZ3 3.79Å; F603-W641 HydrophobicContact CD1-CZ3 3.79Å; F603-W641 HydrophobicContact CD2-CB 4.17Å; F603-W641 HydrophobicContact CE1-CD2 4.27Å; F603-W641 AromaticContact CE1-CE3 3.41Å; F603-W641 HydrophobicContact CE1-CE3 3.41Å; F603-W641 VanDerWaalsContact CE1-CE3 3.41Å; F603-W641 AromaticContact CE1-CZ3 3.59Å; F603-W641 HydrophobicContact CE1-CZ3 3.59Å; F603-W641 HydrophobicContact CG-CB 3.68Å; F603-W641 HydrophobicContact CG-CD2 4.05Å; F603-W641 AromaticContact CG-CE3 3.89Å; F603-W641 HydrophobicContact CG-CE3 3.89Å; F603-W641 AromaticContact CG-CG 3.99Å; F603-W641 HydrophobicContact CG-CG 3.99Å; F603-W641 HydrophobicContact CZ-CE3 4.14Å; F603-W641 HydrophobicContact CZ-CZ3 4.47Å; I638-W641 PolarHBondContact O-N 3.35Å; T639-W641 PolarHBondContact O-N 3.47Å; T639-W641 VanDerWaalsContact O-N 3.07Å; W641-Q850 VanDerWaalsContact CH2-NE2 3.26Å; W641-Q850 HydrophobicContact CZ3-CG 4.44Å |
| 642 | T | 87.9 | Confident | 79 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | trans | -87.8 | 153.2 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | L593 W609 L611 I638 T639 H849 | L593-T642 HydrophobicContact CD1-CG2 4.45Å; L593-T642 HydrophobicContact CD2-CG2 4.38Å; W609-T642 HydrophobicContact CB-CG2 4.1Å; W609-T642 WeakPolarHBondContact O-CA 3.4Å; L611-T642 HydrophobicContact CD1-CG2 3.68Å; L611-T642 WeakPolarHBondContact CD1-OG1 3.19Å; L611-T642 HydrophobicContact CG-CG2 4.04Å; I638-T642 WeakPolarHBondContact O-CG2 3.44Å; T639-T642 PolarHBondContact O-N 3.31Å; T639-T642 PolarHBondContact O-OG1 2.84Å; T642-H849 PolarHBondContact O-CD2 3.3Å; T642-H849 PolarHBondContact O-N 3.38Å; T642-H849 VanDerWaalsContact O-N 3.17Å | ||
| 643 | F | 88.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 151.3 | 176.9 | -70.5 | -98.5 | 0 | 0 | 0 | 110.4 | F603 V608 W609 F610 L611 L846 K847 Q848 I857 V905 W907 | F603-F643 HydrophobicContact CD2-CE2 4.45Å; F603-F643 AromaticContact CE2-CE2 3.86Å; F603-F643 HydrophobicContact CE2-CE2 3.86Å; F603-F643 HydrophobicContact CE2-CZ 4.3Å; V608-F643 HydrophobicContact CG1-CD2 3.63Å; V608-F643 HydrophobicContact CG1-CE2 3.81Å; V608-F643 HydrophobicContact CG1-CG 4.5Å; W609-F643 PolarHBondContact O-N 2.85Å; F610-F643 CarbonylContact C-O 3.58Å; F610-F643 WeakPolarHBondContact CA-O 3.43Å; F610-F643 HydrophobicContact CD1-CB 3.67Å; F610-F643 HydrophobicContact CE1-CB 3.53Å; F610-F643 HydrophobicContact CE1-CG 4.22Å; F610-F643 HydrophobicContact CG-CB 4.23Å; F610-F643 HydrophobicContact CZ-CB 3.96Å; F610-F643 HydrophobicContact CZ-CG 4.24Å; L611-F643 PolarHBondContact N-O 2.84Å; F643-L846 HydrophobicContact CB-CD1 4.28Å; F643-L846 HydrophobicContact CD1-CD1 4.1Å; F643-L846 HydrophobicContact CD1-CD2 4.3Å; F643-L846 HydrophobicContact CD1-CG 4.27Å; F643-K847 CarbonylContact C-O 3.53Å; F643-K847 WeakPolarHBondContact CA-O 3.31Å; F643-Q848 HydrophobicContact CD1-CB 4.36Å; F643-Q848 HydrophobicContact CE1-CB 4.13Å; F643-Q848 HydrophobicContact CE1-CG 4.06Å; F643-Q848 HydrophobicContact CZ-CG 4.07Å; F643-I857 HydrophobicContact CD1-CD1 3.98Å; F643-I857 HydrophobicContact CE1-CD1 3.58Å; F643-V905 HydrophobicContact CE1-CG1 3.89Å; F643-V905 HydrophobicContact CZ-CG1 4.11Å; F643-W907 HydrophobicContact CZ-CZ3 4.24Å |
| 644 | T | 87 | Confident | 74.8 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 132.7 | 179.7 | -63.4 | 0 | 0 | 0 | 0 | 109.3 | P613 L846 K847 H849 | P613-T644 HydrophobicContact CB-CG2 3.65Å; T644-L846 CarbonylContact O-C 3.6Å; T644-L846 WeakPolarHBondContact O-CA 3.43Å; T644-K847 PolarHBondContact N-O 3.09Å; T644-K847 PolarHBondContact O-N 3.29Å; T644-H849 PolarHBondContact OG1-NE2 2.88Å |
| 645 | V | 85.7 | Confident | 72.1 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.2 | 172.6 | 179 | 0 | 0 | 0 | 0 | 108.8 | V511 I514 L515 L518 P613 L845 L846 | V511-V645 HydrophobicContact CG1-CB 4.02Å; V511-V645 HydrophobicContact CG1-CG1 3.93Å; V511-V645 HydrophobicContact CG2-CG1 4.2Å; I514-V645 HydrophobicContact CB-CG1 4.39Å; I514-V645 HydrophobicContact CD1-CG1 4.32Å; I514-V645 HydrophobicContact CG2-CG1 3.96Å; L515-V645 HydrophobicContact CD2-CG2 3.78Å; L515-V645 HydrophobicContact CG-CG2 4.38Å; L518-V645 HydrophobicContact CD1-CG2 4.4Å; P613-V645 WeakPolarHBondContact CB-O 3.43Å; P613-V645 WeakPolarHBondContact CG-O 3.06Å; V645-L845 WeakPolarHBondContact CA-O 3.47Å; V645-L846 HydrophobicContact CG2-CD1 3.47Å; V645-L846 VanDerWaalsContact CG2-CD1 3.47Å |
| 646 | G | 79.2 | Confident | 69.4 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 171.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M651 L845 | G646-M651 VanDerWaalsContact C-SD 3.52Å; G646-M651 VanDerWaalsContact CA-SD 3.56Å; G646-M651 VanDerWaalsContact O-SD 3.42Å; G646-L845 PolarHBondContact N-O 2.92Å; G646-L845 VanDerWaalsContact N-O 3.07Å; G646-L845 PolarHBondContact O-N 2.98Å |
| 647 | H | 77 | Confident | 66.7 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 165 | 173.6 | 63.1 | 82.3 | 0 | 0 | 0 | 111.4 | L649 I650 M651 A841 F843 W844 | H647-L649 WeakPolarHBondContact ND1-CB 3.49Å; H647-L649 PolarHBondContact ND1-N 3.5Å; H647-L649 VanDerWaalsContact ND1-N 3.19Å; H647-L649 PolarHBondContact O-N 2.95Å; H647-I650 PolarHBondContact CE1-N 2.95Å; H647-I650 WeakPolarHBondContact O-CG2 3.35Å; H647-I650 PolarHBondContact O-N 3.01Å; H647-M651 PolarHBondContact O-N 3.39Å; H647-A841 HydrophobicContact CB-CB 3.77Å; H647-F843 WeakPolarHBondContact CA-O 3.11Å; H647-W844 HydrophobicContact CB-CD2 4.22Å; H647-W844 HydrophobicContact CB-CE3 4.09Å; H647-W844 HydrophobicContact CB-CH2 4.24Å; H647-W844 HydrophobicContact CB-CZ2 4.36Å; H647-W844 HydrophobicContact CB-CZ3 4.08Å |
| 648 | Q | 69.1 | Low | 64.3 | Low | 45 Ų | 45 | 47.3 Ų | 47.3 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.6 | -174.6 | 79.5 | -74.8 | 13.4 | 0 | 0 | 116.1 | D842 F843 L845 | Q648-D842 PolarHBondContact NE2-OD2 3.2Å; Q648-F843 HydrophobicContact CB-CB 4.22Å; Q648-F843 HydrophobicContact CG-CD2 4.39Å; Q648-F843 PolarHBondContact N-O 3Å; Q648-F843 PolarHBondContact OE1-O 3.37Å; Q648-L845 HydrophobicContact CB-CD1 4.4Å |
| 649 | L | 63.7 | Low | 61.6 | Low | 33 Ų | 33 | 51.8 Ų | 51.8 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -8.9 | -175.5 | -52.1 | 168 | 0 | 0 | 0 | 113.2 | P506 H647 D743 | P506-L649 HydrophobicContact CG-CD1 4.19Å; H647-L649 WeakPolarHBondContact ND1-CB 3.49Å; H647-L649 PolarHBondContact ND1-N 3.5Å; H647-L649 VanDerWaalsContact ND1-N 3.19Å; H647-L649 PolarHBondContact O-N 2.95Å; L649-D743 VanDerWaalsContact O-CB 3.25Å; L649-D743 WeakPolarHBondContact O-CB 3.39Å |
| 650 | I | 63.6 | Low | 58.9 | Low | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -22.3 | 176 | -162.3 | 168 | 0 | 0 | 0 | 111.8 | E488 P613 W614 H647 E652 | E488-I650 VanDerWaalsContact CD-CD1 3.48Å; E488-I650 WeakPolarHBondContact OE1-CD1 3.43Å; E488-I650 WeakPolarHBondContact OE2-CD1 3.31Å; P613-I650 HydrophobicContact CB-CG2 4.07Å; P613-I650 HydrophobicContact CG-CG2 4.4Å; W614-I650 HydrophobicContact CB-CD1 4.19Å; H647-I650 PolarHBondContact CE1-N 2.95Å; H647-I650 WeakPolarHBondContact O-CG2 3.35Å; H647-I650 PolarHBondContact O-N 3.01Å; I650-E652 PolarHBondContact O-N 3.48Å |
| 651 | M | 61.8 | Low | 56.7 | Low | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.059 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -79.8 | 123.2 | 177.5 | -67.2 | 179.9 | 62.6 | 0 | 0 | 108.1 | G646 H647 L845 K847 | G646-M651 VanDerWaalsContact C-SD 3.52Å; G646-M651 VanDerWaalsContact CA-SD 3.56Å; G646-M651 VanDerWaalsContact O-SD 3.42Å; H647-M651 PolarHBondContact O-N 3.39Å; M651-L845 HydrophobicContact CB-CD1 4.44Å; M651-L845 HydrophobicContact CE-CB 3.65Å; M651-L845 HydrophobicContact CE-CD1 4.27Å; M651-L845 HydrophobicContact SD-CB 3.47Å; M651-L845 WeakPolarHBondContact SD-CB 3.41Å; M651-L845 HydrophobicContact SD-CD1 4.03Å; M651-L845 HydrophobicContact SD-CG 4.34Å; M651-K847 HydrophobicContact CE-CB 3.24Å; M651-K847 HydrophobicContact CE-CD 3.75Å; M651-K847 HydrophobicContact CE-CG 4.09Å |
| 652 | E | 52.2 | Low | 54.7 | Low | 67 Ų | 67 | 59.9 Ų | 59.9 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | trans | -35 | 137.8 | 179.1 | -76 | 174.3 | 162.2 | 0 | 0 | 111.1 | S616 S617 I650 L654 K847 | S616-E652 WeakPolarHBondContact CB-OE1 3.47Å; S617-E652 WeakPolarHBondContact CB-OE2 3.15Å; S617-E652 PolarHBondContact N-OE1 2.89Å; S617-E652 PolarHBondContact OG-OE1 2.98Å; S617-E652 VanDerWaalsContact OG-OE1 3.07Å; S617-E652 PolarHBondContact OG-OE2 2.75Å; I650-E652 PolarHBondContact O-N 3.48Å; E652-L654 PolarHBondContact O-N 2.82Å; E652-K847 IonicContact OE2-NZ 2.68Å | ||
| 653 | P | 45.4 | Very low | 51.8 | Low | 109 Ų | 109 | 66.2 Ų | 66.2 | 71% | 0.708 | 35% | 0.351 | S | S | * | . | trans | -52.9 | 101.8 | -175.1 | -21.7 | 29.4 | 0 | 0 | 0 | 109.8 | A655 | P653-A655 VanDerWaalsContact C-N 3.28Å; P653-A655 PolarHBondContact O-N 3.02Å | ||
| 654 | L | 40.2 | Very low | 49 | Very low | 58 Ų | 58 | 70.9 Ų | 70.9 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | trans | -59.6 | 103.2 | 167.5 | -73 | 162.1 | 0 | 0 | 0 | 104 | E652 H656 L845 T854 P856 | E652-L654 PolarHBondContact O-N 2.82Å; L654-H656 PolarHBondContact O-N 3.28Å; L654-L845 HydrophobicContact CD1-CD1 4.02Å; L654-T854 WeakPolarHBondContact CD2-O 3.35Å; L654-P856 HydrophobicContact CD1-CB 4.16Å; L654-P856 VanDerWaalsContact CD1-CD 3.44Å; L654-P856 HydrophobicContact CD1-CG 3.49Å; L654-P856 VanDerWaalsContact CD1-CG 3.49Å; L654-P856 VanDerWaalsContact CD2-CD 3.45Å; L654-P856 HydrophobicContact CD2-CG 4.45Å | ||
| 655 | A | 33.5 | Very low | 46.2 | Very low | 67 Ų | 67 | 75.9 Ų | 75.9 | 55% | 0.554 | 41% | 0.41 | S | S | * | . | trans | -41 | 114.1 | -178 | 0 | 0 | 0 | 0 | 0 | 107.5 | P653 K657 F658 | P653-A655 VanDerWaalsContact C-N 3.28Å; P653-A655 PolarHBondContact O-N 3.02Å; A655-K657 PolarHBondContact O-N 2.88Å; A655-F658 PolarHBondContact O-N 3.35Å | ||
| 656 | H | 31.9 | Very low | 43.8 | Very low | 167 Ų | 167 | 78.1 Ų | 78.1 | 77% | 0.773 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 2.6 | -171.1 | -76.8 | -76.6 | 0 | 0 | 0 | 114.5 | L654 F658 | L654-H656 PolarHBondContact O-N 3.28Å; H656-F658 VanDerWaalsContact C-N 3.31Å; H656-F658 PolarHBondContact O-N 2.76Å |
| 657 | K | 29.5 | Very low | 41.4 | Very low | 188 Ų | 188 | 84.7 Ų | 84.7 | 82% | 0.817 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.7 | 169.9 | -93.4 | -176.9 | 171.3 | 178.4 | 0 | 115.3 | A655 | A655-K657 PolarHBondContact O-N 2.88Š|
| 658 | F | 32.7 | Very low | 39 | Very low | 159 Ų | 159 | 91.9 Ų | 91.9 | 70% | 0.697 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -110.6 | -1.4 | -172.2 | -68.9 | -75.5 | 0 | 0 | 0 | 115.9 | A655 H656 P660 | A655-F658 PolarHBondContact O-N 3.35Å; H656-F658 VanDerWaalsContact C-N 3.31Å; H656-F658 PolarHBondContact O-N 2.76Å; F658-P660 WeakPolarHBondContact O-CD 3.28Å |
| 659 | M | 28.8 | Very low | 36.9 | Very low | 100 Ų | 100 | 95.7 Ų | 95.7 | 49% | 0.493 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -71 | 118.1 | 162.9 | -79.9 | -149.7 | 170.1 | 0 | 0 | 107.6 | S661 | M659-S661 PolarHBondContact O-N 2.99Š|
| 660 | P | 27.4 | Very low | 35.1 | Very low | 63 Ų | 63 | 97.6 Ų | 97.6 | 41% | 0.409 | 54% | 0.543 | S | S | . | . | trans | -56.2 | 139 | -173.6 | 20 | -29.8 | 0 | 0 | 0 | 109.8 | F658 S662 F663 | F658-P660 WeakPolarHBondContact O-CD 3.28Å; P660-S662 PolarHBondContact O-N 3.47Å; P660-F663 PolarHBondContact O-N 2.9Å | ||
| 661 | S | 30.8 | Very low | 33.2 | Very low | 101 Ų | 101 | 106 Ų | 106 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -58.2 | -2.9 | -180 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | M659 F663 S664 | M659-S661 PolarHBondContact O-N 2.99Å; S661-F663 PolarHBondContact O-N 3.22Å; S661-F663 VanDerWaalsContact O-N 3.14Å; S661-S664 WeakPolarHBondContact O-CB 3.38Å; S661-S664 PolarHBondContact O-N 3.11Å; S661-S664 PolarHBondContact O-OG 3.22Å |
| 662 | S | 32.1 | Very low | 31.4 | Very low | 57 Ų | 57 | 112.9 Ų | 112.9 | 40% | 0.399 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -63.5 | -7.5 | 171.8 | 52.9 | 0 | 0 | 0 | 0 | 114 | P660 S664 D665 | P660-S662 PolarHBondContact O-N 3.47Å; S662-S664 VanDerWaalsContact C-N 3.27Å; S662-D665 WeakPolarHBondContact O-CB 3.13Å; S662-D665 PolarHBondContact O-N 3.43Å |
| 663 | F | 28.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 114.6 Ų | 114.6 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -78.9 | -6.2 | 163.1 | -82.7 | -81.6 | 0 | 0 | 0 | 114.4 | P660 S661 | P660-F663 PolarHBondContact O-N 2.9Å; S661-F663 PolarHBondContact O-N 3.22Å; S661-F663 VanDerWaalsContact O-N 3.14Å |
| 664 | S | 30.5 | Very low | 29.3 | Very low | 97 Ų | 97 | 113.9 Ų | 113.9 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -95 | 8.7 | 166.2 | 81.4 | 0 | 0 | 0 | 0 | 113.2 | S661 S662 G666 | S661-S664 WeakPolarHBondContact O-CB 3.38Å; S661-S664 PolarHBondContact O-N 3.11Å; S661-S664 PolarHBondContact O-OG 3.22Å; S662-S664 VanDerWaalsContact C-N 3.27Å; S664-G666 PolarHBondContact O-N 3.28Å |
| 665 | D | 28.1 | Very low | 28.6 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | trans | -63.4 | 92 | 170.3 | -82.5 | -30.1 | 0 | 0 | 0 | 109.2 | S662 N667 | S662-D665 WeakPolarHBondContact O-CB 3.13Å; S662-D665 PolarHBondContact O-N 3.43Å; D665-N667 PolarHBondContact O-N 2.64Å | ||
| 666 | G | 33.5 | Very low | 28.2 | Very low | 52 Ų | 52 | 120.8 Ų | 120.8 | 54% | 0.536 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | 22 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S664 | S664-G666 PolarHBondContact O-N 3.28Š|
| 667 | N | 29.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -8.4 | 176.5 | -72.5 | -17.8 | 0 | 0 | 0 | 113.4 | D665 F669 | D665-N667 PolarHBondContact O-N 2.64Å; N667-F669 VanDerWaalsContact C-N 3.26Å; N667-F669 PolarHBondContact O-N 3.44Å |
| 668 | L | 26.4 | Very low | 27.6 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -79.5 | -6.9 | 170.5 | -141.5 | 83.9 | 0 | 0 | 0 | 113.5 | ||
| 669 | F | 25.3 | Very low | 27 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 55% | 0.553 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -116.7 | 4.4 | 179.9 | -62.5 | -58.5 | 0 | 0 | 0 | 114.8 | N667 F671 I825 | N667-F669 VanDerWaalsContact C-N 3.26Å; N667-F669 PolarHBondContact O-N 3.44Å; F669-F671 PolarHBondContact O-N 2.83Å; F669-I825 HydrophobicContact CD1-CD1 4.05Å; F669-I825 HydrophobicContact CD1-CG1 4.5Å; F669-I825 HydrophobicContact CD1-CG2 3.98Å; F669-I825 HydrophobicContact CE1-CB 4.37Å; F669-I825 HydrophobicContact CE1-CD1 4.34Å; F669-I825 HydrophobicContact CE1-CG1 4.37Å; F669-I825 HydrophobicContact CE1-CG2 3.17Å; F669-I825 HydrophobicContact CZ-CG2 3.54Å |
| 670 | A | 24.9 | Very low | 26.8 | Very low | 73 Ų | 73 | 119.1 Ų | 119.1 | 60% | 0.603 | 68% | 0.678 | S | S | * | * | trans | -80 | 76 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | D672 | A670-D672 PolarHBondContact O-N 3.11Š| ||
| 671 | F | 24.7 | Very low | 26.7 | Very low | 195 Ų | 195 | 123 Ų | 123 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | trans | -59.2 | 111 | 164.2 | -106 | -90.3 | 0 | 0 | 0 | 107.9 | F669 S673 | F669-F671 PolarHBondContact O-N 2.83Å; F671-S673 PolarHBondContact O-N 3.12Å | ||
| 672 | D | 24.3 | Very low | 26.4 | Very low | 156 Ų | 156 | 123.4 Ų | 123.4 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -55.7 | 94.1 | -179 | -163.2 | 8.4 | 0 | 0 | 0 | 110 | A670 S674 | A670-D672 PolarHBondContact O-N 3.11Å; D672-S674 VanDerWaalsContact C-N 3.34Å; D672-S674 PolarHBondContact O-N 3.32Å; D672-S674 VanDerWaalsContact O-N 3.1Å | ||
| 673 | S | 27.2 | Very low | 26.1 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -81.8 | 88.3 | 173.3 | 49 | 0 | 0 | 0 | 0 | 108.8 | F671 | F671-S673 PolarHBondContact O-N 3.12Š| ||
| 674 | S | 25.5 | Very low | 26 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | 56 | 114.9 | 149.8 | 61.5 | 0 | 0 | 0 | 0 | 118.5 | D672 | D672-S674 VanDerWaalsContact C-N 3.34Å; D672-S674 PolarHBondContact O-N 3.32Å; D672-S674 VanDerWaalsContact O-N 3.1Å | ||
| 675 | S | 25.3 | Very low | 25.8 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | 63.2 | 110.2 | 134.1 | 67.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 676 | H | 25.4 | Very low | 25.6 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 47.7 | 112.6 | 135.3 | -73.4 | -61.9 | 0 | 0 | 0 | 119.9 | ||||
| 677 | K | 23.6 | Very low | 25.3 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | 84.6 | 122.2 | 131.5 | -82.3 | -176.1 | 176.7 | 176.7 | 0 | 119.6 | ||||
| 678 | L | 24.6 | Very low | 25 | Very low | 144 Ų | 144 | 162.6 Ų | 162.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 82 | 106 | 146.4 | -86.5 | 107.6 | 0 | 0 | 0 | 120 | ||||
| 679 | Q | 21.8 | Very low | 25 | Very low | 187 Ų | 187 | 160.6 Ų | 160.6 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | 32 | 116.4 | 128 | -72.3 | -179.3 | -21.6 | 0 | 0 | 118.7 | |||||
| 680 | G | 24.5 | Very low | 25.2 | Very low | 66 Ų | 66 | 161.8 Ų | 161.8 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 160.9 | 92.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 681 | T | 25 | Very low | 25.3 | Very low | 144 Ų | 144 | 166.8 Ų | 166.8 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | 60.7 | 109.2 | 145.9 | 57.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 682 | S | 23 | Very low | 25.3 | Very low | 110 Ų | 110 | 169 Ų | 169 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -13.9 | 141.4 | 142.3 | -172.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 683 | R | 25.8 | Very low | 25.4 | Very low | 227 Ų | 227 | 166.2 Ų | 166.2 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | 98.9 | 85.1 | 162 | -57.3 | -179.4 | 176.8 | 177.1 | -0.6 | 117.9 | ||||
| 684 | R | 27.4 | Very low | 25.4 | Very low | 237 Ų | 237 | 170 Ų | 170 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | 175.4 | 85.6 | 130.1 | -107.2 | 177.3 | 173.6 | 163.5 | -0.9 | 112.6 | ||||
| 685 | F | 25.1 | Very low | 25.4 | Very low | 227 Ų | 227 | 173.1 Ų | 173.1 | 100% | 0.996 | 84% | 0.838 | S | S | * | * | trans | -144.7 | 73.5 | 152.2 | -93.1 | -77.8 | 0 | 0 | 0 | 108.9 | ||||
| 686 | R | 24.1 | Very low | 25.4 | Very low | 244 Ų | 244 | 176 Ų | 176 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -135.4 | 85.2 | 168.8 | -153.7 | -176.6 | -163.3 | -175.9 | 5.9 | 106.8 | ||||
| 687 | R | 26.8 | Very low | 25.4 | Very low | 231 Ų | 231 | 179.2 Ų | 179.2 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | trans | 166.1 | 89.1 | 160.4 | -97.2 | 173.2 | -166.3 | 169.9 | 4.4 | 108.6 | ||||
| 688 | Y | 24.6 | Very low | 25.5 | Very low | 248 Ų | 248 | 175.8 Ų | 175.8 | 97% | 0.973 | 84% | 0.839 | S | S | * | * | trans | -175.9 | 70 | 148.3 | -92.7 | -68.8 | 0 | 0 | 0 | 106.6 | ||||
| 689 | S | 26.6 | Very low | 25.4 | Very low | 108 Ų | 108 | 179.4 Ų | 179.4 | 76% | 0.755 | 84% | 0.843 | S | S | * | * | trans | -132.6 | 6.9 | 177.2 | 79.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 690 | N | 27.9 | Very low | 25.5 | Very low | 151 Ų | 151 | 179.5 Ų | 179.5 | 81% | 0.807 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -128.8 | 41.8 | -167.7 | -79 | 7.1 | 0 | 0 | 0 | 115.9 | ||
| 691 | Q | 28.1 | Very low | 25.4 | Very low | 179 Ų | 179 | 185.4 Ų | 185.4 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -146.1 | 21.8 | 171.7 | -130.8 | 172.3 | 0.7 | 0 | 0 | 119.4 | ||
| 692 | Y | 24 | Very low | 25.4 | Very low | 240 Ų | 240 | 187.4 Ų | 187.4 | 94% | 0.941 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -140.9 | 37.7 | 170.3 | -89.9 | -81.1 | 0 | 0 | 0 | 113.7 | ||
| 693 | A | 26.4 | Very low | 25.4 | Very low | 98 Ų | 98 | 189.3 Ų | 189.3 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | trans | -108 | 24.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 694 | Q | 27.3 | Very low | 25.3 | Very low | 185 Ų | 185 | 184.3 Ų | 184.3 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -134.7 | 81.9 | 173.9 | -71 | -174.1 | -11.2 | 0 | 0 | 110.2 | ||
| 695 | D | 25.9 | Very low | 25.3 | Very low | 158 Ų | 158 | 180.2 Ų | 180.2 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -176.3 | 2.4 | 141.2 | -102.8 | -14.1 | 0 | 0 | 0 | 116.2 | R697 | D695-R697 VanDerWaalsContact C-N 3.28Å; D695-R697 PolarHBondContact O-N 3.37Å |
| 696 | L | 26.3 | Very low | 25.2 | Very low | 159 Ų | 159 | 179.7 Ų | 179.7 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -81.6 | 71.7 | 169.8 | -87.8 | 142 | 0 | 0 | 0 | 111.6 | I698 | L696-I698 HydrophobicContact CB-CG1 4.33Å; L696-I698 HydrophobicContact CD2-CD1 4.41Å; L696-I698 HydrophobicContact CD2-CG1 4.02Å; L696-I698 PolarHBondContact O-N 2.93Å | ||
| 697 | R | 24.3 | Very low | 25.2 | Very low | 240 Ų | 240 | 176.2 Ų | 176.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -71.3 | 77 | 158.1 | -77.7 | -174.4 | -177.3 | 175.3 | 2 | 108.7 | D695 R699 | D695-R697 VanDerWaalsContact C-N 3.28Å; D695-R697 PolarHBondContact O-N 3.37Å; R697-R699 PolarHBondContact O-N 3.49Å | ||
| 698 | I | 25.3 | Very low | 25.1 | Very low | 108 Ų | 108 | 167.7 Ų | 167.7 | 55% | 0.554 | 81% | 0.81 | S | S | * | * | trans | -61 | 106.1 | 169.2 | -62.3 | 171.2 | 0 | 0 | 0 | 107.3 | L696 K700 | L696-I698 HydrophobicContact CB-CG1 4.33Å; L696-I698 HydrophobicContact CD2-CD1 4.41Å; L696-I698 HydrophobicContact CD2-CG1 4.02Å; L696-I698 PolarHBondContact O-N 2.93Å; I698-K700 PolarHBondContact O-N 3.15Å | ||
| 699 | R | 23.4 | Very low | 24.9 | Very low | 220 Ų | 220 | 164.8 Ų | 164.8 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 99.2 | 167.1 | -77.5 | -176 | 178.4 | -178.2 | -0.4 | 107.5 | R697 F701 | R697-R699 PolarHBondContact O-N 3.49Å; R699-F701 PolarHBondContact O-N 2.65Å | ||
| 700 | K | 24.1 | Very low | 24.8 | Very low | 189 Ų | 189 | 169 Ų | 169 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -58.4 | 102.5 | 165.8 | -70 | -176.5 | 175.7 | -173 | 0 | 108.3 | I698 K702 | I698-K700 PolarHBondContact O-N 3.15Å; K700-K702 PolarHBondContact O-N 3.26Å | ||
| 701 | F | 22.7 | Very low | 24.6 | Very low | 190 Ų | 190 | 167.3 Ų | 167.3 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | trans | -77.8 | 99.3 | 163.2 | -98.8 | -89.5 | 0 | 0 | 0 | 107.1 | R699 H703 | R699-F701 PolarHBondContact O-N 2.65Å; F701-H703 PolarHBondContact O-N 3.19Å | ||
| 702 | K | 23.5 | Very low | 24.5 | Very low | 187 Ų | 187 | 165.8 Ų | 165.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -66.3 | 118.5 | 165.4 | -77.6 | -175.6 | 171.4 | -171.6 | 0 | 107.4 | K700 P704 | K700-K702 PolarHBondContact O-N 3.26Å; K702-P704 WeakPolarHBondContact O-CD 3.46Å | ||
| 703 | H | 23.9 | Very low | 24.4 | Very low | 150 Ų | 150 | 160.8 Ų | 160.8 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | trans | -57.8 | 121 | 165.6 | -107.5 | -86.5 | 0 | 0 | 0 | 108.5 | F701 L705 | F701-H703 PolarHBondContact O-N 3.19Å; H703-L705 VanDerWaalsContact C-N 3.34Å; H703-L705 PolarHBondContact O-N 3.37Å; H703-L705 VanDerWaalsContact O-N 3.1Å | ||
| 704 | P | 24.4 | Very low | 24.4 | Very low | 122 Ų | 122 | 167.3 Ų | 167.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -81.2 | 87.7 | 171.4 | 30.9 | -26.7 | 0 | 0 | 0 | 108 | K702 Y706 | K702-P704 WeakPolarHBondContact O-CD 3.46Å; P704-Y706 PolarHBondContact O-N 3.35Å | ||
| 705 | L | 25.7 | Very low | 24.4 | Very low | 151 Ų | 151 | 164.5 Ų | 164.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -76.3 | 111.2 | 164.3 | -80.8 | 163.2 | 0 | 0 | 0 | 108.5 | H703 | H703-L705 VanDerWaalsContact C-N 3.34Å; H703-L705 PolarHBondContact O-N 3.37Å; H703-L705 VanDerWaalsContact O-N 3.1Å | ||
| 706 | Y | 24.7 | Very low | 24.5 | Very low | 215 Ų | 215 | 163.9 Ų | 163.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 33.8 | 97.8 | 149.9 | -95.3 | -101.6 | 0 | 0 | 0 | 118.8 | P704 | P704-Y706 PolarHBondContact O-N 3.35Š| ||
| 707 | N | 23 | Very low | 24.5 | Very low | 171 Ų | 171 | 161.2 Ų | 161.2 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | trans | -101.6 | 79.7 | 153.2 | -88.9 | -9.7 | 0 | 0 | 0 | 108.5 | ||||
| 708 | G | 25.5 | Very low | 25.5 | Very low | 53 Ų | 53 | 155.4 Ų | 155.4 | 55% | 0.546 | 77% | 0.773 | S | S | . | * | trans | -91.6 | 91.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F710 | G708-F710 PolarHBondContact O-N 2.96Å; G708-F710 VanDerWaalsContact O-N 3.09Å | ||
| 709 | H | 20.6 | Very low | 25.8 | Very low | 186 Ų | 186 | 156 Ų | 156 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -68.7 | 95.3 | 163 | -90 | -2.4 | 0 | 0 | 0 | 109 | ||||
| 710 | F | 24.4 | Very low | 26 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -91.9 | 98 | 161.3 | -92.4 | -85.2 | 0 | 0 | 0 | 108.6 | G708 N712 | G708-F710 PolarHBondContact O-N 2.96Å; G708-F710 VanDerWaalsContact O-N 3.09Å; F710-N712 PolarHBondContact O-N 3.48Å | ||
| 711 | T | 22.7 | Very low | 26.1 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 112.4 | 166.7 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 712 | N | 25.5 | Very low | 26.5 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -132.4 | 99 | 157.8 | -92 | -22.1 | 0 | 0 | 0 | 108.1 | F710 Y714 | F710-N712 PolarHBondContact O-N 3.48Å; N712-Y714 PolarHBondContact O-N 2.6Å | ||
| 713 | N | 23.9 | Very low | 26.5 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -54 | 116.7 | 165.5 | -68.1 | -15.5 | 0 | 0 | 0 | 109.3 | ||||
| 714 | Y | 26.2 | Very low | 26.6 | Very low | 234 Ų | 234 | 148.4 Ų | 148.4 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | trans | -139.8 | 89.3 | 146.1 | -99.5 | -80.4 | 0 | 0 | 0 | 106.6 | N712 | N712-Y714 PolarHBondContact O-N 2.6Š| ||
| 715 | D | 25.7 | Very low | 26.6 | Very low | 126 Ų | 126 | 154.6 Ų | 154.6 | 67% | 0.674 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 152.6 | 174.1 | -82.3 | -41.1 | 0 | 0 | 0 | 111.7 | ||||
| 716 | D | 28.2 | Very low | 26.5 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 76.2 | 131 | 150.4 | -63.8 | -26.1 | 0 | 0 | 0 | 119.1 | ||||
| 717 | S | 27.4 | Very low | 26.6 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | 178.5 | 172.2 | 0.8 | 46.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 718 | P | 45.1 | Very low | 26.7 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -102.4 | 166.1 | -142.5 | 39.8 | -36.6 | 0 | 0 | 0 | 115.9 | ||||
| 719 | S | 30.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -124.4 | 121 | 157.3 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 720 | D | 26.9 | Very low | 26.7 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -56.8 | 144.6 | 178.7 | -68.3 | -51.7 | 0 | 0 | 0 | 114.8 | ||||
| 721 | S | 28.3 | Very low | 26.7 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | 147.2 | 144.4 | 114.2 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 722 | E | 30.6 | Very low | 26.8 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | 95 | 81.9 | 164 | -57.5 | -163.6 | 154.7 | 0 | 0 | 120 | ||||
| 723 | L | 23.8 | Very low | 26.8 | Very low | 155 Ų | 155 | 151.4 Ų | 151.4 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -23.2 | 143.3 | 144.8 | -143.4 | 78.8 | 0 | 0 | 0 | 117.5 | ||||
| 724 | Q | 24.9 | Very low | 26.8 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 84 | 78.7 | 156.1 | -52.6 | -164.5 | -22.1 | 0 | 0 | 119.3 | ||||
| 725 | R | 25.2 | Very low | 26.8 | Very low | 252 Ų | 252 | 147.3 Ų | 147.3 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | -145.5 | 124.9 | 127.5 | -109 | 172.3 | -159.2 | 168 | 6.1 | 110.9 | |||||
| 726 | S | 23.4 | Very low | 26.8 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -66.2 | 135 | -171.6 | 50 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 727 | V | 27.4 | Very low | 26.7 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 58.4 | 122.2 | 138 | -170.1 | 0 | 0 | 0 | 0 | 116.5 | ||
| 728 | F | 24.2 | Very low | 26.8 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 86.7 | 60.6 | -171.9 | -56.6 | -75.6 | 0 | 0 | 0 | 115.7 | ||||
| 729 | N | 23 | Very low | 26.6 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -141.3 | 72.5 | 146.7 | -104.6 | -12.6 | 0 | 0 | 0 | 107.9 | K731 | N729-K731 PolarHBondContact O-N 2.82Š| ||
| 730 | T | 23.5 | Very low | 27.2 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -64.5 | 93.6 | 152.9 | 42.1 | 0 | 0 | 0 | 0 | 105.5 | S732 | T730-S732 PolarHBondContact O-N 2.78Å; T730-S732 VanDerWaalsContact O-N 3.13Å | ||
| 731 | K | 24 | Very low | 28.2 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -48.5 | 122.6 | 165.1 | -78.4 | -177.2 | 174.4 | -179.1 | 0 | 106.3 | N729 E733 | N729-K731 PolarHBondContact O-N 2.82Å; K731-E733 PolarHBondContact O-N 2.74Å | ||
| 732 | S | 24.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | -61.9 | 83.3 | 168.7 | 59.1 | 0 | 0 | 0 | 0 | 107.4 | T730 D734 | T730-S732 PolarHBondContact O-N 2.78Å; T730-S732 VanDerWaalsContact O-N 3.13Å; S732-D734 VanDerWaalsContact C-N 3.35Å; S732-D734 PolarHBondContact O-N 3.44Å; S732-D734 VanDerWaalsContact O-N 3.14Å | ||
| 733 | E | 25.3 | Very low | 30.9 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -66.4 | 104.9 | 157.8 | -76.9 | -178.5 | 168.3 | 0 | 0 | 105.5 | K731 V735 | K731-E733 PolarHBondContact O-N 2.74Å; E733-V735 PolarHBondContact O-N 2.91Å | ||
| 734 | D | 24.8 | Very low | 33.4 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 82% | 0.824 | 66% | 0.655 | S | S | * | * | trans | 30.4 | 70.3 | 153.6 | -57.8 | -32.3 | 0 | 0 | 0 | 114.4 | S732 E736 | S732-D734 VanDerWaalsContact C-N 3.35Å; S732-D734 PolarHBondContact O-N 3.44Å; S732-D734 VanDerWaalsContact O-N 3.14Å; D734-E736 PolarHBondContact O-N 3.41Å | ||
| 735 | V | 25.4 | Very low | 35.8 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | trans | -69.8 | 84.5 | 158 | -179 | 0 | 0 | 0 | 0 | 105.9 | E733 Y737 | E733-V735 PolarHBondContact O-N 2.91Å; V735-Y737 PolarHBondContact O-N 3.29Å | ||
| 736 | E | 26.1 | Very low | 38.2 | Very low | 174 Ų | 174 | 111.5 Ų | 111.5 | 81% | 0.813 | 60% | 0.596 | S | S | * | * | trans | -52.5 | 122.6 | 176.2 | -154.4 | 174.3 | -164.4 | 0 | 0 | 108.7 | D734 V738 | D734-E736 PolarHBondContact O-N 3.41Å; E736-V738 PolarHBondContact O-N 2.87Å | ||
| 737 | Y | 26.8 | Very low | 41.1 | Very low | 116 Ų | 116 | 106.6 Ų | 106.6 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | trans | -24.2 | 101.2 | 178.6 | -126.4 | -105.8 | 0 | 0 | 0 | 113.1 | N618 V735 H739 | N618-Y737 PolarHBondContact O-OH 3.03Å; V735-Y737 PolarHBondContact O-N 3.29Å; Y737-H739 AromaticContact CD1-CD2 3.9Å; Y737-H739 PolarHBondContact O-N 3.48Å | ||
| 738 | V | 29.1 | Very low | 44 | Very low | 126 Ų | 126 | 101 Ų | 101 | 76% | 0.764 | 53% | 0.527 | S | S | * | . | trans | -72.9 | 83.3 | 171 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | E736 | E736-V738 PolarHBondContact O-N 2.87Š| ||
| 739 | H | 40.2 | Very low | 47 | Very low | 108 Ų | 108 | 94.4 Ų | 94.4 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | trans | -58 | 151.5 | -176.1 | -110.5 | -84.1 | 0 | 0 | 0 | 112 | Y737 S741 H742 | Y737-H739 AromaticContact CD1-CD2 3.9Å; Y737-H739 PolarHBondContact O-N 3.48Å; H739-S741 WeakPolarHBondContact CB-OG 3.12Å; H739-S741 PolarHBondContact O-N 3.13Å; H739-S741 PolarHBondContact O-OG 3.01Å; H739-H742 PolarHBondContact O-N 3.04Å | ||
| 740 | S | 44.2 | Very low | 50.1 | Low | 64 Ų | 64 | 87 Ų | 87 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -3 | 160.5 | 51.6 | 0 | 0 | 0 | 0 | 115.4 | H742 Y744 | S740-H742 PolarHBondContact O-N 3.27Å; S740-Y744 WeakPolarHBondContact O-CD2 3.4Å |
| 741 | S | 47.5 | Very low | 53.5 | Low | 37 Ų | 37 | 80.5 Ų | 80.5 | 26% | 0.259 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -25.9 | 174.7 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | H739 D743 A745 | H739-S741 WeakPolarHBondContact CB-OG 3.12Å; H739-S741 PolarHBondContact O-N 3.13Å; H739-S741 PolarHBondContact O-OG 3.01Å; S741-D743 PolarHBondContact O-N 3.21Å; S741-A745 PolarHBondContact O-N 3.4Å |
| 742 | H | 52.5 | Low | 56.8 | Low | 129 Ų | 129 | 71.7 Ų | 71.7 | 60% | 0.597 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.3 | -37.8 | -178.4 | -154.9 | 76.7 | 0 | 0 | 0 | 112.5 | H739 S740 A745 | H739-H742 PolarHBondContact O-N 3.04Å; S740-H742 PolarHBondContact O-N 3.27Å; H742-A745 WeakPolarHBondContact O-CB 3.34Å; H742-A745 PolarHBondContact O-N 3.13Å |
| 743 | D | 62.7 | Low | 59.9 | Low | 31 Ų | 31 | 66.5 Ų | 66.5 | 17% | 0.166 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.2 | -43.7 | -176.5 | -61.5 | -33.3 | 0 | 0 | 0 | 111.7 | L649 S741 A745 I746 H747 | L649-D743 VanDerWaalsContact O-CB 3.25Å; L649-D743 WeakPolarHBondContact O-CB 3.39Å; S741-D743 PolarHBondContact O-N 3.21Å; D743-A745 PolarHBondContact O-N 2.98Å; D743-I746 WeakPolarHBondContact O-CB 3.49Å; D743-I746 PolarHBondContact O-N 3.1Å; D743-I746 VanDerWaalsContact O-N 3.11Å; D743-H747 PolarHBondContact O-CD2 3.2Å; D743-H747 PolarHBondContact O-N 3.37Å |
| 744 | Y | 76.3 | Confident | 63.1 | Low | 18 Ų | 18 | 58.6 Ų | 58.6 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -26.2 | 175.1 | -65.8 | -58 | 0 | 0 | 0 | 113.1 | W396 V398 P485 T486 E488 V505 S740 H747 T748 | W396-Y744 HydrophobicContact CH2-CE2 4.39Å; W396-Y744 HydrophobicContact CZ2-CD2 4.46Å; W396-Y744 AromaticContact CZ2-CE2 3.85Å; W396-Y744 HydrophobicContact CZ2-CE2 3.85Å; V398-Y744 HydrophobicContact CG1-CD2 4.25Å; V398-Y744 HydrophobicContact CG2-CD2 4.01Å; V398-Y744 HydrophobicContact CG2-CE2 4.43Å; P485-Y744 VanDerWaalsContact O-CD1 3.24Å; P485-Y744 WeakPolarHBondContact O-CD1 3.48Å; T486-Y744 HydrophobicContact CG2-CD1 3.96Å; T486-Y744 HydrophobicContact CG2-CE1 4.4Å; T486-Y744 HydrophobicContact CG2-CG 4.32Å; E488-Y744 WeakPolarHBondContact OE1-CE1 3.4Å; E488-Y744 PolarHBondContact OE1-OH 2.99Å; V505-Y744 HydrophobicContact CG2-CE1 4.39Å; S740-Y744 WeakPolarHBondContact O-CD2 3.4Å; Y744-H747 PolarHBondContact O-N 3.05Å; Y744-T748 VanDerWaalsContact O-CB 3.29Å; Y744-T748 WeakPolarHBondContact O-CB 3.41Å; Y744-T748 PolarHBondContact O-N 3.09Å; Y744-T748 PolarHBondContact O-OG1 3.28Å |
| 745 | A | 74.7 | Confident | 66.5 | Low | 23 Ų | 23 | 51.3 Ų | 51.3 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | L401 V404 S741 H742 D743 H747 T748 Y749 | L401-A745 HydrophobicContact CD2-CB 4.48Å; V404-A745 HydrophobicContact CG1-CB 4.26Å; V404-A745 VanDerWaalsContact CG1-O 3.24Å; V404-A745 WeakPolarHBondContact CG1-O 3.49Å; V404-A745 HydrophobicContact CG2-CB 3.89Å; S741-A745 PolarHBondContact O-N 3.4Å; H742-A745 WeakPolarHBondContact O-CB 3.34Å; H742-A745 PolarHBondContact O-N 3.13Å; D743-A745 PolarHBondContact O-N 2.98Å; A745-H747 PolarHBondContact O-N 3.01Å; A745-T748 PolarHBondContact O-N 3.21Å; A745-Y749 WeakPolarHBondContact O-CB 3.47Å; A745-Y749 PolarHBondContact O-N 3.46Å |
| 746 | I | 76.2 | Confident | 69.7 | Low | 64 Ų | 64 | 45.2 Ų | 45.2 | 33% | 0.328 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.4 | -61.9 | 171.7 | 0 | 0 | 0 | 110.2 | D743 T748 Y749 E750 | D743-I746 WeakPolarHBondContact O-CB 3.49Å; D743-I746 PolarHBondContact O-N 3.1Å; D743-I746 VanDerWaalsContact O-N 3.11Å; I746-T748 VanDerWaalsContact C-N 3.3Å; I746-T748 PolarHBondContact O-N 2.92Å; I746-Y749 WeakPolarHBondContact O-CB 3.5Å; I746-Y749 PolarHBondContact O-N 2.99Å; I746-E750 HydrophobicContact CG2-CG 4.43Å; I746-E750 WeakPolarHBondContact O-CB 3.34Å; I746-E750 WeakPolarHBondContact O-CG 3.1Å; I746-E750 PolarHBondContact O-N 3.48Å |
| 747 | H | 84.8 | Confident | 72.8 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 179 | -61 | -31.1 | 0 | 0 | 0 | 113.1 | P485 T504 D743 Y744 A745 E750 S751 R839 | P485-H747 HydrophobicContact CB-CB 3.64Å; T504-H747 PolarHBondContact O-ND1 3.05Å; T504-H747 VanDerWaalsContact O-ND1 3.16Å; T504-H747 PolarHBondContact OG1-O 3.43Å; D743-H747 PolarHBondContact O-CD2 3.2Å; D743-H747 PolarHBondContact O-N 3.37Å; Y744-H747 PolarHBondContact O-N 3.05Å; A745-H747 PolarHBondContact O-N 3.01Å; H747-E750 WeakPolarHBondContact CA-OE2 3.41Å; H747-E750 IonicContact ND1-OE2 3.18Å; H747-E750 PolarHBondContact ND1-OE2 2.8Å; H747-S751 PolarHBondContact O-N 3.47Å; H747-S751 PolarHBondContact O-OG 3.04Å; H747-R839 PolarHBondContact CE1-NH1 3Å; H747-R839 PolarHBondContact ND1-NH1 3.01Å |
| 748 | T | 88.2 | Confident | 76 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.6 | -42.8 | 177.3 | -59.7 | 0 | 0 | 0 | 0 | 111 | F390 L401 V404 A405 P485 Y744 A745 I746 S751 V752 | F390-T748 HydrophobicContact CE1-CG2 4.17Å; L401-T748 HydrophobicContact CB-CG2 4.33Å; L401-T748 WeakPolarHBondContact O-CG2 3.29Å; V404-T748 HydrophobicContact CG1-CG2 4.46Å; A405-T748 HydrophobicContact CB-CG2 3.96Å; P485-T748 WeakPolarHBondContact CB-OG1 3.5Å; P485-T748 WeakPolarHBondContact CG-OG1 2.92Å; Y744-T748 VanDerWaalsContact O-CB 3.29Å; Y744-T748 WeakPolarHBondContact O-CB 3.41Å; Y744-T748 PolarHBondContact O-N 3.09Å; Y744-T748 PolarHBondContact O-OG1 3.28Å; A745-T748 PolarHBondContact O-N 3.21Å; I746-T748 VanDerWaalsContact C-N 3.3Å; I746-T748 PolarHBondContact O-N 2.92Å; T748-S751 WeakPolarHBondContact O-CB 3.45Å; T748-S751 PolarHBondContact O-N 3.33Å; T748-V752 PolarHBondContact O-N 3.17Å |
| 749 | Y | 87.4 | Confident | 79.1 | Confident | 50 Ų | 50 | 26 Ų | 26 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -50.2 | 174.8 | -163.2 | -76.7 | 0 | 0 | 0 | 110.8 | V404 A408 F411 A745 I746 S751 V752 I753 Y818 | V404-Y749 HydrophobicContact CG1-CD2 4.2Å; A408-Y749 HydrophobicContact CB-CD1 4.08Å; A408-Y749 HydrophobicContact CB-CD2 3.59Å; A408-Y749 HydrophobicContact CB-CE1 4.11Å; A408-Y749 HydrophobicContact CB-CE2 3.66Å; A408-Y749 HydrophobicContact CB-CG 3.82Å; F411-Y749 VanDerWaalsContact CB-OH 3.26Å; F411-Y749 WeakPolarHBondContact CB-OH 3.36Å; F411-Y749 VanDerWaalsContact CG-OH 3.23Å; F411-Y749 WeakPolarHBondContact CG-OH 3.07Å; A745-Y749 WeakPolarHBondContact O-CB 3.47Å; A745-Y749 PolarHBondContact O-N 3.46Å; I746-Y749 WeakPolarHBondContact O-CB 3.5Å; I746-Y749 PolarHBondContact O-N 2.99Å; Y749-S751 VanDerWaalsContact C-N 3.26Å; Y749-S751 PolarHBondContact O-N 2.94Å; Y749-V752 PolarHBondContact O-N 2.98Å; Y749-I753 HydrophobicContact CD1-CD1 4.32Å; Y749-I753 HydrophobicContact CD1-CG1 3.82Å; Y749-I753 HydrophobicContact CE1-CD1 3.81Å; Y749-I753 HydrophobicContact CE1-CG1 3.77Å; Y749-I753 WeakPolarHBondContact O-CG1 3.13Å; Y749-I753 PolarHBondContact O-N 3.32Å; Y749-Y818 VanDerWaalsContact CE1-OH 3.23Å; Y749-Y818 WeakPolarHBondContact CE1-OH 3.48Å |
| 750 | E | 87.2 | Confident | 81.4 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.2 | -37.9 | 175.9 | -76.7 | 171.6 | 142.9 | 0 | 0 | 112.3 | T504 I746 H747 V752 I753 V754 Y793 L831 R839 | T504-E750 HydrophobicContact CG2-CB 4.1Å; I746-E750 HydrophobicContact CG2-CG 4.43Å; I746-E750 WeakPolarHBondContact O-CB 3.34Å; I746-E750 WeakPolarHBondContact O-CG 3.1Å; I746-E750 PolarHBondContact O-N 3.48Å; H747-E750 WeakPolarHBondContact CA-OE2 3.41Å; H747-E750 IonicContact ND1-OE2 3.18Å; H747-E750 PolarHBondContact ND1-OE2 2.8Å; E750-V752 VanDerWaalsContact C-N 3.3Å; E750-V752 PolarHBondContact O-N 3.47Å; E750-I753 PolarHBondContact O-N 3.02Å; E750-I753 VanDerWaalsContact O-N 3.11Å; E750-V754 WeakPolarHBondContact O-CG2 3.49Å; E750-V754 PolarHBondContact O-N 3.47Å; E750-Y793 VanDerWaalsContact CD-OH 3.29Å; E750-Y793 VanDerWaalsContact CG-OH 3.24Å; E750-Y793 WeakPolarHBondContact CG-OH 3.33Å; E750-Y793 PolarHBondContact OE1-OH 2.74Å; E750-L831 HydrophobicContact CB-CD2 3.94Å; E750-L831 HydrophobicContact CG-CD2 4.17Å; E750-R839 VanDerWaalsContact CD-NH1 3.28Å; E750-R839 IonicContact OE1-CZ 3.44Å; E750-R839 IonicContact OE1-NH1 2.97Å; E750-R839 PolarHBondContact OE1-NH1 2.99Å; E750-R839 VanDerWaalsContact OE1-NH1 3.11Å; E750-R839 IonicContact OE1-NH2 3.84Å; E750-R839 PolarHBondContact OE1-NH2 3.47Å; E750-R839 IonicContact OE2-CZ 2.68Å; E750-R839 IonicContact OE2-NH1 3.28Å; E750-R839 PolarHBondContact OE2-NH1 3.31Å; E750-R839 IonicContact OE2-NH2 2.68Å |
| 751 | S | 94.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 179.4 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | V483 T504 H747 T748 Y749 L755 | V483-S751 WeakPolarHBondContact CG1-OG 3.42Å; T504-S751 PolarHBondContact OG1-OG 3.36Å; H747-S751 PolarHBondContact O-N 3.47Å; H747-S751 PolarHBondContact O-OG 3.04Å; T748-S751 WeakPolarHBondContact O-CB 3.45Å; T748-S751 PolarHBondContact O-N 3.33Å; Y749-S751 VanDerWaalsContact C-N 3.26Å; Y749-S751 PolarHBondContact O-N 2.94Å; S751-L755 WeakPolarHBondContact O-CG 3.38Å; S751-L755 PolarHBondContact O-N 3.27Å |
| 752 | V | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.1 | -44.3 | 175 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | A405 A408 I409 V412 I460 T748 Y749 E750 V754 L755 A756 | A405-V752 HydrophobicContact CB-CG2 4.13Å; A408-V752 HydrophobicContact CB-CB 3.64Å; A408-V752 HydrophobicContact CB-CG1 3.81Å; A408-V752 HydrophobicContact CB-CG2 3.89Å; I409-V752 HydrophobicContact CD1-CG1 3.59Å; I409-V752 HydrophobicContact CG1-CG1 3.81Å; I409-V752 HydrophobicContact CG1-CG2 4.32Å; V412-V752 HydrophobicContact CG2-CG1 4.47Å; I460-V752 HydrophobicContact CD1-CB 4.28Å; I460-V752 HydrophobicContact CD1-CG2 3.29Å; T748-V752 PolarHBondContact O-N 3.17Å; Y749-V752 PolarHBondContact O-N 2.98Å; E750-V752 VanDerWaalsContact C-N 3.3Å; E750-V752 PolarHBondContact O-N 3.47Å; V752-V754 PolarHBondContact O-N 2.89Å; V752-L755 PolarHBondContact O-N 2.97Å; V752-A756 VanDerWaalsContact O-CB 3.31Å; V752-A756 WeakPolarHBondContact O-CB 3.47Å; V752-A756 PolarHBondContact O-N 3.38Å |
| 753 | I | 90.4 | Very high | 87 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | -178.3 | -60.9 | -52.9 | 0 | 0 | 0 | 111.2 | F411 V412 Y749 E750 L755 A756 A757 F791 Y818 | F411-I753 HydrophobicContact CD1-CD1 3.75Å; F411-I753 HydrophobicContact CE1-CD1 3.91Å; V412-I753 HydrophobicContact CG1-CD1 3.42Å; V412-I753 VanDerWaalsContact CG1-CD1 3.42Å; Y749-I753 HydrophobicContact CD1-CD1 4.32Å; Y749-I753 HydrophobicContact CD1-CG1 3.82Å; Y749-I753 HydrophobicContact CE1-CD1 3.81Å; Y749-I753 HydrophobicContact CE1-CG1 3.77Å; Y749-I753 WeakPolarHBondContact O-CG1 3.13Å; Y749-I753 PolarHBondContact O-N 3.32Å; E750-I753 PolarHBondContact O-N 3.02Å; E750-I753 VanDerWaalsContact O-N 3.11Å; I753-L755 PolarHBondContact O-N 3.49Å; I753-A756 PolarHBondContact O-N 3.23Å; I753-A757 VanDerWaalsContact O-CB 3.27Å; I753-A757 WeakPolarHBondContact O-CB 3.47Å; I753-A757 PolarHBondContact O-N 2.87Å; I753-F791 HydrophobicContact CG2-CD2 4.12Å; I753-F791 HydrophobicContact CG2-CE2 4.05Å; I753-Y818 HydrophobicContact CG1-CE1 4.29Å; I753-Y818 HydrophobicContact CG2-CD1 4.09Å; I753-Y818 HydrophobicContact CG2-CE1 3.99Å |
| 754 | V | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.2 | -50.3 | 177.5 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | E750 V752 A756 A757 A758 V786 T789 L831 F833 | E750-V754 WeakPolarHBondContact O-CG2 3.49Å; E750-V754 PolarHBondContact O-N 3.47Å; V752-V754 PolarHBondContact O-N 2.89Å; V754-A756 PolarHBondContact O-N 3.47Å; V754-A757 PolarHBondContact O-N 3.08Å; V754-A758 WeakPolarHBondContact O-CB 3.48Å; V754-A758 PolarHBondContact O-N 3.14Å; V754-V786 HydrophobicContact CG1-CB 4.44Å; V754-V786 HydrophobicContact CG1-CG1 3.69Å; V754-V786 HydrophobicContact CG1-CG2 4.42Å; V754-T789 HydrophobicContact CB-CG2 4.39Å; V754-T789 HydrophobicContact CG1-CG2 4.25Å; V754-T789 HydrophobicContact CG2-CG2 4.02Å; V754-L831 HydrophobicContact CG2-CD2 3.38Å; V754-F833 HydrophobicContact CG1-CE2 3.92Å; V754-F833 HydrophobicContact CG1-CZ 4.18Å; V754-F833 HydrophobicContact CG2-CE2 4.17Å; V754-F833 HydrophobicContact CG2-CZ 4.2Å |
| 755 | L | 95.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 179.1 | -69.1 | 175.6 | 0 | 0 | 0 | 112 | V386 I460 I481 V483 S751 V752 I753 L759 Y782 V786 | V386-L755 HydrophobicContact CG1-CD1 4.09Å; I460-L755 HydrophobicContact CG1-CD1 4.07Å; I481-L755 HydrophobicContact CB-CD2 4.4Å; I481-L755 HydrophobicContact CG2-CD2 3.85Å; V483-L755 HydrophobicContact CG2-CD1 4.34Å; V483-L755 HydrophobicContact CG2-CD2 3.89Å; V483-L755 HydrophobicContact CG2-CG 4.05Å; S751-L755 WeakPolarHBondContact O-CG 3.38Å; S751-L755 PolarHBondContact O-N 3.27Å; V752-L755 PolarHBondContact O-N 2.97Å; I753-L755 PolarHBondContact O-N 3.49Å; L755-L759 WeakPolarHBondContact O-CB 3.32Å; L755-L759 PolarHBondContact O-N 3.45Å; L755-Y782 WeakPolarHBondContact CA-OH 3.43Å; L755-Y782 HydrophobicContact CD2-CE1 4.41Å; L755-Y782 WeakPolarHBondContact CD2-OH 3.5Å; L755-Y782 PolarHBondContact O-OH 3.43Å; L755-V786 HydrophobicContact CD2-CG2 4.5Å |
| 756 | A | 93.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V412 Y418 F419 L426 V752 I753 V754 L759 I760 | V412-A756 HydrophobicContact CB-CB 4.15Å; V412-A756 HydrophobicContact CG1-CB 3.84Å; V412-A756 HydrophobicContact CG2-CB 4.31Å; Y418-A756 HydrophobicContact CD1-CB 4.16Å; Y418-A756 HydrophobicContact CE1-CB 4.47Å; F419-A756 HydrophobicContact CE2-CB 3.86Å; L426-A756 HydrophobicContact CD1-CB 3.83Å; V752-A756 VanDerWaalsContact O-CB 3.31Å; V752-A756 WeakPolarHBondContact O-CB 3.47Å; V752-A756 PolarHBondContact O-N 3.38Å; I753-A756 PolarHBondContact O-N 3.23Å; V754-A756 PolarHBondContact O-N 3.47Å; A756-L759 PolarHBondContact O-N 3.44Å; A756-I760 PolarHBondContact O-N 3.46Å |
| 757 | A | 90.2 | Very high | 87.6 | Confident | 11 Ų | 11 | 25 Ų | 25 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.6 | -43.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y418 I753 V754 L759 I760 H761 F791 | Y418-A757 HydrophobicContact CE1-CB 3.89Å; I753-A757 VanDerWaalsContact O-CB 3.27Å; I753-A757 WeakPolarHBondContact O-CB 3.47Å; I753-A757 PolarHBondContact O-N 2.87Å; V754-A757 PolarHBondContact O-N 3.08Å; A757-L759 PolarHBondContact O-N 2.99Å; A757-I760 VanDerWaalsContact O-CG2 3.26Å; A757-I760 WeakPolarHBondContact O-CG2 3.27Å; A757-I760 PolarHBondContact O-N 3.45Å; A757-H761 WeakPolarHBondContact O-CB 3.48Å; A757-H761 PolarHBondContact O-N 3.22Å; A757-H761 VanDerWaalsContact O-N 3.15Å; A757-F791 HydrophobicContact CB-CE1 4.14Å; A757-F791 HydrophobicContact CB-CE2 3.64Å; A757-F791 HydrophobicContact CB-CZ 3.14Å |
| 758 | A | 93.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V754 L762 Y782 L785 V786 | V754-A758 WeakPolarHBondContact O-CB 3.48Å; V754-A758 PolarHBondContact O-N 3.14Å; A758-L762 WeakPolarHBondContact O-CB 3.43Å; A758-L762 PolarHBondContact O-N 2.91Å; A758-Y782 HydrophobicContact CB-CD2 4.14Å; A758-Y782 HydrophobicContact CB-CE2 3.68Å; A758-L785 HydrophobicContact CB-CB 3.88Å; A758-V786 HydrophobicContact CB-CB 4.33Å; A758-V786 HydrophobicContact CB-CG2 3.44Å; A758-V786 VanDerWaalsContact CB-CG2 3.44Å |
| 759 | L | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.7 | -46.8 | -178.6 | -178 | 62.1 | 0 | 0 | 0 | 111.1 | L384 F419 L426 I457 L755 A756 A757 H761 L762 L763 I770 F773 Y782 | L384-L759 HydrophobicContact CD1-CD2 3.77Å; F419-L759 HydrophobicContact CE1-CD2 4.37Å; F419-L759 HydrophobicContact CZ-CB 4.42Å; F419-L759 HydrophobicContact CZ-CD2 3.94Å; F419-L759 HydrophobicContact CZ-CG 4.3Å; L426-L759 HydrophobicContact CD2-CD2 4.16Å; I457-L759 HydrophobicContact CB-CD2 4.4Å; I457-L759 HydrophobicContact CD1-CD2 3.73Å; I457-L759 HydrophobicContact CG2-CD2 4.02Å; L755-L759 WeakPolarHBondContact O-CB 3.32Å; L755-L759 PolarHBondContact O-N 3.45Å; A756-L759 PolarHBondContact O-N 3.44Å; A757-L759 PolarHBondContact O-N 2.99Å; L759-H761 PolarHBondContact O-N 3.33Å; L759-L762 HydrophobicContact CD1-CD2 4.25Å; L759-L762 WeakPolarHBondContact O-CB 3.41Å; L759-L762 PolarHBondContact O-N 2.66Å; L759-L762 VanDerWaalsContact O-N 3.13Å; L759-L763 HydrophobicContact CD1-CD1 4.24Å; L759-L763 HydrophobicContact CD1-CD2 4.35Å; L759-L763 HydrophobicContact CD1-CG 4.11Å; L759-L763 HydrophobicContact CG-CD1 3.99Å; L759-L763 HydrophobicContact CG-CG 4.26Å; L759-L763 VanDerWaalsContact O-CG 3.23Å; L759-L763 WeakPolarHBondContact O-CG 3.47Å; L759-L763 PolarHBondContact O-N 3.42Å; L759-I770 HydrophobicContact CD1-CD1 4.01Å; L759-F773 HydrophobicContact CD1-CE2 3.9Å; L759-Y782 HydrophobicContact CB-CE2 3.89Å; L759-Y782 HydrophobicContact CD1-CE2 4.38Å |
| 760 | I | 89.8 | Confident | 85.9 | Confident | 13 Ų | 13 | 23.1 Ų | 23.1 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 179.5 | -165.6 | 64.5 | 0 | 0 | 0 | 111.1 | Y418 F419 T422 A756 A757 L763 H764 | Y418-I760 HydrophobicContact CD1-CG2 4.45Å; Y418-I760 WeakPolarHBondContact O-CD1 3.39Å; F419-I760 HydrophobicContact CD1-CD1 4.42Å; F419-I760 HydrophobicContact CE1-CD1 4.29Å; T422-I760 HydrophobicContact CG2-CD1 3.67Å; A756-I760 PolarHBondContact O-N 3.46Å; A757-I760 VanDerWaalsContact O-CG2 3.26Å; A757-I760 WeakPolarHBondContact O-CG2 3.27Å; A757-I760 PolarHBondContact O-N 3.45Å; I760-L763 PolarHBondContact O-N 3.38Å; I760-H764 VanDerWaalsContact O-CG 3.29Å; I760-H764 PolarHBondContact O-N 3.29Å |
| 761 | H | 85.9 | Confident | 85.1 | Confident | 59 Ų | 59 | 26 Ų | 26 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.5 | -170.1 | -95.2 | 0 | 0 | 0 | 112.1 | A757 L759 L763 H764 Q765 L785 | A757-H761 WeakPolarHBondContact O-CB 3.48Å; A757-H761 PolarHBondContact O-N 3.22Å; A757-H761 VanDerWaalsContact O-N 3.15Å; L759-H761 PolarHBondContact O-N 3.33Å; H761-L763 VanDerWaalsContact C-N 3.28Å; H761-L763 PolarHBondContact O-N 3.39Å; H761-H764 PolarHBondContact O-N 2.93Å; H761-Q765 VanDerWaalsContact CE1-CD 3.41Å; H761-Q765 PolarHBondContact CE1-NE2 3.46Å; H761-Q765 WeakPolarHBondContact O-CG 3.49Å; H761-Q765 PolarHBondContact O-N 3.45Å; H761-L785 HydrophobicContact CB-CD1 4.39Å; H761-L785 WeakPolarHBondContact ND1-CD2 3.36Å |
| 762 | L | 89.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 173.7 | -176.9 | 67 | 0 | 0 | 0 | 111.6 | A758 L759 Q765 N766 A769 F773 V778 A781 Y782 L785 | A758-L762 WeakPolarHBondContact O-CB 3.43Å; A758-L762 PolarHBondContact O-N 2.91Å; L759-L762 HydrophobicContact CD1-CD2 4.25Å; L759-L762 WeakPolarHBondContact O-CB 3.41Å; L759-L762 PolarHBondContact O-N 2.66Å; L759-L762 VanDerWaalsContact O-N 3.13Å; L762-Q765 PolarHBondContact O-N 3.03Å; L762-N766 CarbonylContact O-C 3.56Å; L762-N766 WeakPolarHBondContact O-CA 3.44Å; L762-N766 PolarHBondContact O-N 2.71Å; L762-A769 HydrophobicContact CD1-CB 4.25Å; L762-A769 HydrophobicContact CD2-CB 3.79Å; L762-A769 HydrophobicContact CG-CB 3.68Å; L762-F773 HydrophobicContact CD2-CD2 4.31Å; L762-F773 HydrophobicContact CD2-CE2 3.88Å; L762-V778 HydrophobicContact CD2-CG1 4Å; L762-A781 HydrophobicContact CD1-CB 4.11Å; L762-Y782 HydrophobicContact CD2-CD2 3.93Å; L762-Y782 HydrophobicContact CD2-CG 4.2Å; L762-L785 HydrophobicContact CB-CD1 3.68Å; L762-L785 HydrophobicContact CD1-CD1 4.07Å; L762-L785 HydrophobicContact CG-CD1 4.47Å |
| 763 | L | 85.7 | Confident | 83.4 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.1 | -32.9 | -179.5 | -62 | 179.8 | 0 | 0 | 0 | 113.2 | F419 Y424 L759 I760 H761 N766 P767 A769 I770 | F419-L763 HydrophobicContact CE1-CD1 4.44Å; Y424-L763 HydrophobicContact CD2-CD1 3.7Å; Y424-L763 HydrophobicContact CE2-CD1 3.81Å; Y424-L763 HydrophobicContact CG-CD1 4.32Å; L759-L763 HydrophobicContact CD1-CD1 4.24Å; L759-L763 HydrophobicContact CD1-CD2 4.35Å; L759-L763 HydrophobicContact CD1-CG 4.11Å; L759-L763 HydrophobicContact CG-CD1 3.99Å; L759-L763 HydrophobicContact CG-CG 4.26Å; L759-L763 VanDerWaalsContact O-CG 3.23Å; L759-L763 WeakPolarHBondContact O-CG 3.47Å; L759-L763 PolarHBondContact O-N 3.42Å; I760-L763 PolarHBondContact O-N 3.38Å; H761-L763 VanDerWaalsContact C-N 3.28Å; H761-L763 PolarHBondContact O-N 3.39Å; L763-N766 CarbonylContact O-C 3.53Å; L763-P767 VanDerWaalsContact O-CA 3.24Å; L763-P767 WeakPolarHBondContact O-CA 3.33Å; L763-P767 WeakPolarHBondContact O-CD 3.43Å; L763-P767 WeakPolarHBondContact O-CG 3.26Å; L763-P767 VanDerWaalsContact O-N 3.09Å; L763-A769 HydrophobicContact CD2-CB 4.28Å; L763-I770 HydrophobicContact CD1-CD1 4.36Å; L763-I770 HydrophobicContact CD1-CG1 4.32Å; L763-I770 HydrophobicContact CD2-CD1 3.69Å; L763-I770 HydrophobicContact CD2-CG1 3.34Å; L763-I770 HydrophobicContact CG-CG1 4.45Å |
| 764 | H | 79.5 | Confident | 82.7 | Confident | 136 Ų | 136 | 36.8 Ų | 36.8 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -67.5 | -41.5 | 172.4 | -72.7 | 172.5 | 0 | 0 | 0 | 111.8 | I760 H761 | I760-H764 VanDerWaalsContact O-CG 3.29Å; I760-H764 PolarHBondContact O-N 3.29Å; H761-H764 PolarHBondContact O-N 2.93Å |
| 765 | Q | 78.1 | Confident | 82 | Confident | 131 Ų | 131 | 38.5 Ų | 38.5 | 61% | 0.612 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -75.5 | -37.1 | 178 | -69 | -170.2 | -16.3 | 0 | 0 | 112.9 | H761 L762 | H761-Q765 VanDerWaalsContact CE1-CD 3.41Å; H761-Q765 PolarHBondContact CE1-NE2 3.46Å; H761-Q765 WeakPolarHBondContact O-CG 3.49Å; H761-Q765 PolarHBondContact O-N 3.45Å; L762-Q765 PolarHBondContact O-N 3.03Å |
| 766 | N | 75.3 | Confident | 81.4 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | trans | -142.1 | 86.8 | -177.6 | -177.4 | 3.7 | 0 | 0 | 0 | 110.2 | L762 L763 S768 A769 | L762-N766 CarbonylContact O-C 3.56Å; L762-N766 WeakPolarHBondContact O-CA 3.44Å; L762-N766 PolarHBondContact O-N 2.71Å; L763-N766 CarbonylContact O-C 3.53Å; N766-S768 PolarHBondContact O-N 3.24Å; N766-S768 VanDerWaalsContact OD1-CB 3.26Å; N766-S768 WeakPolarHBondContact OD1-CB 3.36Å; N766-S768 PolarHBondContact OD1-N 2.75Å; N766-S768 VanDerWaalsContact OD1-N 3.16Å; N766-A769 HydrophobicContact CB-CB 4.38Å; N766-A769 WeakPolarHBondContact O-CB 3.29Å; N766-A769 PolarHBondContact O-N 3.16Å | ||
| 767 | P | 70 | Confident | 80.7 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.8 | 178.1 | -23.5 | 32 | 0 | 0 | 0 | 113.5 | L763 A769 | L763-P767 VanDerWaalsContact O-CA 3.24Å; L763-P767 WeakPolarHBondContact O-CA 3.33Å; L763-P767 WeakPolarHBondContact O-CD 3.43Å; L763-P767 WeakPolarHBondContact O-CG 3.26Å; L763-P767 VanDerWaalsContact O-N 3.09Å; P767-A769 VanDerWaalsContact C-N 3.31Å; P767-A769 PolarHBondContact O-N 3.31Å |
| 768 | S | 65.3 | Low | 80.5 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.1 | 176.9 | -43.2 | 0 | 0 | 0 | 0 | 114.1 | H47 N766 I770 S771 | H47-S768 VanDerWaalsContact CB-OG 3.27Å; H47-S768 WeakPolarHBondContact CB-OG 3.4Å; H47-S768 PolarHBondContact CE1-OG 3.04Å; H47-S768 PolarHBondContact ND1-OG 3.2Å; N766-S768 PolarHBondContact O-N 3.24Å; N766-S768 VanDerWaalsContact OD1-CB 3.26Å; N766-S768 WeakPolarHBondContact OD1-CB 3.36Å; N766-S768 PolarHBondContact OD1-N 2.75Å; N766-S768 VanDerWaalsContact OD1-N 3.16Å; S768-I770 PolarHBondContact O-N 3.44Å; S768-I770 VanDerWaalsContact O-N 3.09Å; S768-S771 WeakPolarHBondContact O-CB 3.37Å; S768-S771 PolarHBondContact O-N 2.73Å; S768-S771 PolarHBondContact O-OG 3.28Å |
| 769 | A | 79.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -54.8 | -35.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L762 L763 N766 P767 S771 V772 F773 V778 | L762-A769 HydrophobicContact CD1-CB 4.25Å; L762-A769 HydrophobicContact CD2-CB 3.79Å; L762-A769 HydrophobicContact CG-CB 3.68Å; L763-A769 HydrophobicContact CD2-CB 4.28Å; N766-A769 HydrophobicContact CB-CB 4.38Å; N766-A769 WeakPolarHBondContact O-CB 3.29Å; N766-A769 PolarHBondContact O-N 3.16Å; P767-A769 VanDerWaalsContact C-N 3.31Å; P767-A769 PolarHBondContact O-N 3.31Å; A769-S771 VanDerWaalsContact C-N 3.27Å; A769-S771 PolarHBondContact O-N 3.47Å; A769-V772 CarbonylContact O-C 3.56Å; A769-V772 PolarHBondContact O-N 2.82Å; A769-F773 VanDerWaalsContact O-CA 3.23Å; A769-F773 WeakPolarHBondContact O-CA 3.24Å; A769-F773 PolarHBondContact O-N 3.13Å; A769-V778 HydrophobicContact CB-CG1 3.8Å |
| 770 | I | 80.9 | Confident | 80.1 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -64.1 | -27.2 | 177.7 | -63.7 | -54.9 | 0 | 0 | 0 | 113.6 | L382 L384 Y424 K455 L759 L763 S768 V772 F773 | L382-I770 HydrophobicContact CD2-CG2 4.17Å; L384-I770 HydrophobicContact CD1-CD1 3.66Å; L384-I770 HydrophobicContact CD1-CG1 4.35Å; L384-I770 HydrophobicContact CD2-CD1 4.12Å; L384-I770 HydrophobicContact CD2-CG2 3.97Å; Y424-I770 HydrophobicContact CE1-CG1 4.11Å; Y424-I770 HydrophobicContact CE1-CG2 4.47Å; K455-I770 HydrophobicContact CD-CG2 3.69Å; K455-I770 VanDerWaalsContact NZ-CG2 3.32Å; K455-I770 PolarHBondContact NZ-O 2.74Å; L759-I770 HydrophobicContact CD1-CD1 4.01Å; L763-I770 HydrophobicContact CD1-CD1 4.36Å; L763-I770 HydrophobicContact CD1-CG1 4.32Å; L763-I770 HydrophobicContact CD2-CD1 3.69Å; L763-I770 HydrophobicContact CD2-CG1 3.34Å; L763-I770 HydrophobicContact CG-CG1 4.45Å; S768-I770 PolarHBondContact O-N 3.44Å; S768-I770 VanDerWaalsContact O-N 3.09Å; I770-V772 VanDerWaalsContact C-N 3.31Å; I770-F773 HydrophobicContact CD1-CD2 4.49Å |
| 771 | S | 69.3 | Low | 80.1 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -76.3 | -22.7 | 179.7 | 69.5 | 0 | 0 | 0 | 0 | 112.8 | S768 A769 | S768-S771 WeakPolarHBondContact O-CB 3.37Å; S768-S771 PolarHBondContact O-N 2.73Å; S768-S771 PolarHBondContact O-OG 3.28Å; A769-S771 VanDerWaalsContact C-N 3.27Å; A769-S771 PolarHBondContact O-N 3.47Å |
| 772 | V | 73.2 | Confident | 80.6 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -135.5 | 34.1 | -174 | -71.4 | 0 | 0 | 0 | 0 | 111.1 | N50 A769 I770 E774 S775 V778 | N50-V772 WeakPolarHBondContact OD1-CG2 3.43Å; A769-V772 CarbonylContact O-C 3.56Å; A769-V772 PolarHBondContact O-N 2.82Å; I770-V772 VanDerWaalsContact C-N 3.31Å; V772-E774 PolarHBondContact O-N 3.15Å; V772-S775 WeakPolarHBondContact O-CB 3.4Å; V772-S775 PolarHBondContact O-N 2.93Å; V772-S775 PolarHBondContact O-OG 3.25Å; V772-V778 HydrophobicContact CG2-CG2 3.88Å |
| 773 | F | 79.5 | Confident | 80.8 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.8 | -172 | -165.3 | -99.9 | 0 | 0 | 0 | 112.4 | I457 L759 L762 A769 I770 S775 V778 Y782 | I457-F773 HydrophobicContact CB-CE1 4.28Å; I457-F773 HydrophobicContact CB-CZ 4.1Å; I457-F773 HydrophobicContact CG2-CE1 4.47Å; I457-F773 HydrophobicContact CG2-CZ 4.29Å; I457-F773 WeakPolarHBondContact O-CE1 3.4Å; L759-F773 HydrophobicContact CD1-CE2 3.9Å; L762-F773 HydrophobicContact CD2-CD2 4.31Å; L762-F773 HydrophobicContact CD2-CE2 3.88Å; A769-F773 VanDerWaalsContact O-CA 3.23Å; A769-F773 WeakPolarHBondContact O-CA 3.24Å; A769-F773 PolarHBondContact O-N 3.13Å; I770-F773 HydrophobicContact CD1-CD2 4.49Å; F773-S775 PolarHBondContact O-N 3.02Å; F773-V778 HydrophobicContact CD2-CG1 4.15Å; F773-Y782 HydrophobicContact CE1-CD1 4.24Å; F773-Y782 HydrophobicContact CE1-CE1 4.4Å; F773-Y782 HydrophobicContact CE2-CD1 4.1Å; F773-Y782 HydrophobicContact CE2-CD2 4.48Å; F773-Y782 HydrophobicContact CE2-CE1 4.43Å; F773-Y782 HydrophobicContact CE2-CG 4.12Å; F773-Y782 AromaticContact CZ-CD1 3.42Å; F773-Y782 HydrophobicContact CZ-CD1 3.42Å; F773-Y782 VanDerWaalsContact CZ-CD1 3.42Å; F773-Y782 HydrophobicContact CZ-CD2 4.48Å; F773-Y782 AromaticContact CZ-CE1 3.57Å; F773-Y782 HydrophobicContact CZ-CE1 3.57Å; F773-Y782 AromaticContact CZ-CG 3.92Å; F773-Y782 HydrophobicContact CZ-CG 3.92Å |
| 774 | E | 75.2 | Confident | 81.1 | Confident | 156 Ų | 156 | 52.6 Ų | 52.6 | 73% | 0.729 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.8 | 176.1 | -59.1 | -177.7 | 170.9 | 0 | 0 | 113.7 | V772 | V772-E774 PolarHBondContact O-N 3.15Š|
| 775 | S | 78.7 | Confident | 81.7 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -70.6 | 140.5 | 176.5 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | V772 F773 S777 V778 A779 | V772-S775 WeakPolarHBondContact O-CB 3.4Å; V772-S775 PolarHBondContact O-N 2.93Å; V772-S775 PolarHBondContact O-OG 3.25Å; F773-S775 PolarHBondContact O-N 3.02Å; S775-S777 VanDerWaalsContact C-N 3.28Å; S775-S777 PolarHBondContact O-N 2.81Å; S775-V778 PolarHBondContact O-N 2.85Å; S775-V778 WeakPolarHBondContact OG-CG2 3.46Å; S775-A779 PolarHBondContact O-N 3.1Å |
| 776 | M | 81.8 | Confident | 82.4 | Confident | 100 Ų | 100 | 40.7 Ų | 40.7 | 49% | 0.493 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.6 | -40.8 | -173.3 | 139.7 | 129.5 | 36.8 | 0 | 0 | 113.7 | R479 V778 A779 E780 | R479-M776 PolarHBondContact NH1-SD 3.38Å; R479-M776 PolarHBondContact NH2-SD 3.38Å; M776-V778 VanDerWaalsContact C-N 3.33Å; M776-V778 PolarHBondContact O-N 2.92Å; M776-A779 PolarHBondContact O-N 3.13Å; M776-E780 WeakPolarHBondContact O-CB 3.48Å; M776-E780 VanDerWaalsContact O-CG 3.29Å; M776-E780 WeakPolarHBondContact O-CG 3.38Å; M776-E780 PolarHBondContact O-N 2.82Å |
| 777 | S | 79.8 | Confident | 83.1 | Confident | 69 Ų | 69 | 40.7 Ų | 40.7 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.1 | -35.8 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | S775 A781 | S775-S777 VanDerWaalsContact C-N 3.28Å; S775-S777 PolarHBondContact O-N 2.81Å; S777-A781 WeakPolarHBondContact O-CB 3.31Å; S777-A781 PolarHBondContact O-N 3.12Å; S777-A781 VanDerWaalsContact O-N 3.12Å |
| 778 | V | 86 | Confident | 83.7 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -78.6 | -41.2 | 179.7 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | L762 A769 V772 F773 S775 M776 E780 A781 Y782 | L762-V778 HydrophobicContact CD2-CG1 4Å; A769-V778 HydrophobicContact CB-CG1 3.8Å; V772-V778 HydrophobicContact CG2-CG2 3.88Å; F773-V778 HydrophobicContact CD2-CG1 4.15Å; S775-V778 PolarHBondContact O-N 2.85Å; S775-V778 WeakPolarHBondContact OG-CG2 3.46Å; M776-V778 VanDerWaalsContact C-N 3.33Å; M776-V778 PolarHBondContact O-N 2.92Å; V778-E780 VanDerWaalsContact C-N 3.32Å; V778-E780 PolarHBondContact O-N 2.71Å; V778-A781 PolarHBondContact O-N 2.73Å; V778-Y782 WeakPolarHBondContact O-CB 3.21Å; V778-Y782 PolarHBondContact O-N 3.45Å |
| 779 | A | 89.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R479 Y500 S775 M776 R783 | R479-A779 HydrophobicContact CB-CB 3.83Å; Y500-A779 HydrophobicContact CE1-CB 4.46Å; S775-A779 PolarHBondContact O-N 3.1Å; M776-A779 PolarHBondContact O-N 3.13Å; A779-R783 WeakPolarHBondContact O-CB 3.42Å; A779-R783 PolarHBondContact O-N 3.46Å |
| 780 | E | 90.6 | Very high | 83.7 | Confident | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 174.3 | -75.6 | 172.1 | -178.2 | 0 | 0 | 112.3 | R479 M776 V778 Y782 R783 E784 | R479-E780 IonicContact CZ-OE1 3.56Å; R479-E780 IonicContact NH1-OE1 2.71Å; R479-E780 PolarHBondContact NH1-OE1 3.17Å; M776-E780 WeakPolarHBondContact O-CB 3.48Å; M776-E780 VanDerWaalsContact O-CG 3.29Å; M776-E780 WeakPolarHBondContact O-CG 3.38Å; M776-E780 PolarHBondContact O-N 2.82Å; V778-E780 VanDerWaalsContact C-N 3.32Å; V778-E780 PolarHBondContact O-N 2.71Å; E780-Y782 VanDerWaalsContact C-N 3.34Å; E780-Y782 PolarHBondContact O-N 3.13Å; E780-R783 PolarHBondContact O-N 3.23Å; E780-E784 WeakPolarHBondContact O-CG 3.36Å; E780-E784 PolarHBondContact O-N 3.09Å |
| 781 | A | 89.8 | Confident | 83.2 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L762 S777 V778 E784 L785 | L762-A781 HydrophobicContact CD1-CB 4.11Å; S777-A781 WeakPolarHBondContact O-CB 3.31Å; S777-A781 PolarHBondContact O-N 3.12Å; S777-A781 VanDerWaalsContact O-N 3.12Å; V778-A781 PolarHBondContact O-N 2.73Å; A781-E784 PolarHBondContact O-N 2.96Å; A781-L785 VanDerWaalsContact O-CG 3.3Å; A781-L785 WeakPolarHBondContact O-CG 3.41Å; A781-L785 PolarHBondContact O-N 2.92Å |
| 782 | Y | 95.1 | Very high | 82.6 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.9 | -173.2 | -128.5 | 0 | 0 | 0 | 111.8 | I457 I481 L755 A758 L759 L762 F773 V778 E780 E784 L785 V786 | I457-Y782 VanDerWaalsContact O-CE1 3.27Å; I457-Y782 WeakPolarHBondContact O-CE1 3.4Å; I481-Y782 HydrophobicContact CB-CE1 4.47Å; I481-Y782 HydrophobicContact CD1-CD1 3.35Å; I481-Y782 HydrophobicContact CD1-CE1 3.51Å; I481-Y782 HydrophobicContact CD1-CG 4.1Å; I481-Y782 HydrophobicContact CG1-CD1 4.06Å; I481-Y782 HydrophobicContact CG1-CE1 4.17Å; L755-Y782 WeakPolarHBondContact CA-OH 3.43Å; L755-Y782 HydrophobicContact CD2-CE1 4.41Å; L755-Y782 WeakPolarHBondContact CD2-OH 3.5Å; L755-Y782 PolarHBondContact O-OH 3.43Å; A758-Y782 HydrophobicContact CB-CD2 4.14Å; A758-Y782 HydrophobicContact CB-CE2 3.68Å; L759-Y782 HydrophobicContact CB-CE2 3.89Å; L759-Y782 HydrophobicContact CD1-CE2 4.38Å; L762-Y782 HydrophobicContact CD2-CD2 3.93Å; L762-Y782 HydrophobicContact CD2-CG 4.2Å; F773-Y782 HydrophobicContact CE1-CD1 4.24Å; F773-Y782 HydrophobicContact CE1-CE1 4.4Å; F773-Y782 HydrophobicContact CE2-CD1 4.1Å; F773-Y782 HydrophobicContact CE2-CD2 4.48Å; F773-Y782 HydrophobicContact CE2-CE1 4.43Å; F773-Y782 HydrophobicContact CE2-CG 4.12Å; F773-Y782 AromaticContact CZ-CD1 3.42Å; F773-Y782 HydrophobicContact CZ-CD1 3.42Å; F773-Y782 VanDerWaalsContact CZ-CD1 3.42Å; F773-Y782 HydrophobicContact CZ-CD2 4.48Å; F773-Y782 AromaticContact CZ-CE1 3.57Å; F773-Y782 HydrophobicContact CZ-CE1 3.57Å; F773-Y782 AromaticContact CZ-CG 3.92Å; F773-Y782 HydrophobicContact CZ-CG 3.92Å; V778-Y782 WeakPolarHBondContact O-CB 3.21Å; V778-Y782 PolarHBondContact O-N 3.45Å; E780-Y782 VanDerWaalsContact C-N 3.34Å; E780-Y782 PolarHBondContact O-N 3.13Å; Y782-E784 PolarHBondContact O-N 3.48Å; Y782-L785 PolarHBondContact O-N 3.44Å; Y782-V786 HydrophobicContact CE2-CG2 4.24Å; Y782-V786 WeakPolarHBondContact O-CG2 3.34Å; Y782-V786 PolarHBondContact O-N 3.33Å |
| 783 | R | 94.1 | Very high | 81.5 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 13% | 0.125 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 174 | -176.4 | -169.6 | 61.1 | 70.2 | -2.1 | 112 | I481 P499 Y500 F502 A779 E780 L785 V786 F787 | I481-R783 HydrophobicContact CD1-CB 4.41Å; P499-R783 WeakPolarHBondContact O-CD 3.19Å; Y500-R783 HydrophobicContact CD1-CB 4.38Å; Y500-R783 HydrophobicContact CD1-CG 4.37Å; Y500-R783 HydrophobicContact CE1-CB 4.11Å; Y500-R783 HydrophobicContact CE1-CG 4.41Å; F502-R783 HydrophobicContact CE2-CG 4.06Å; F502-R783 HydrophobicContact CZ-CG 4.02Å; A779-R783 WeakPolarHBondContact O-CB 3.42Å; A779-R783 PolarHBondContact O-N 3.46Å; E780-R783 PolarHBondContact O-N 3.23Å; R783-L785 VanDerWaalsContact C-N 3.33Å; R783-V786 PolarHBondContact O-N 2.96Å; R783-F787 PolarHBondContact O-N 3.33Å |
| 784 | E | 91.7 | Very high | 79.5 | Confident | 62 Ų | 62 | 45.3 Ų | 45.3 | 29% | 0.29 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -40.4 | 177.2 | -72.6 | -60 | 148.2 | 0 | 0 | 111.6 | R495 E780 A781 Y782 V786 F787 E788 | R495-E784 IonicContact NH2-OE1 3.42Å; E780-E784 WeakPolarHBondContact O-CG 3.36Å; E780-E784 PolarHBondContact O-N 3.09Å; A781-E784 PolarHBondContact O-N 2.96Å; Y782-E784 PolarHBondContact O-N 3.48Å; E784-V786 PolarHBondContact O-N 3.17Å; E784-F787 WeakPolarHBondContact O-CB 3.45Å; E784-F787 PolarHBondContact O-N 2.97Å; E784-E788 WeakPolarHBondContact O-CB 3.37Å; E784-E788 WeakPolarHBondContact O-CG 3.39Å; E784-E788 PolarHBondContact O-N 2.97Å |
| 785 | L | 91.6 | Very high | 77.5 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 176 | -68.9 | 175.7 | 0 | 0 | 0 | 112.9 | A758 H761 L762 A781 Y782 R783 E788 T789 | A758-L785 HydrophobicContact CB-CB 3.88Å; H761-L785 HydrophobicContact CB-CD1 4.39Å; H761-L785 WeakPolarHBondContact ND1-CD2 3.36Å; L762-L785 HydrophobicContact CB-CD1 3.68Å; L762-L785 HydrophobicContact CD1-CD1 4.07Å; L762-L785 HydrophobicContact CG-CD1 4.47Å; A781-L785 VanDerWaalsContact O-CG 3.3Å; A781-L785 WeakPolarHBondContact O-CG 3.41Å; A781-L785 PolarHBondContact O-N 2.92Å; Y782-L785 PolarHBondContact O-N 3.44Å; R783-L785 VanDerWaalsContact C-N 3.33Å; L785-E788 PolarHBondContact O-N 3.33Å; L785-T789 PolarHBondContact O-N 2.92Å; L785-T789 PolarHBondContact O-OG1 3.01Å |
| 786 | V | 93.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 172.2 | 168.4 | 0 | 0 | 0 | 0 | 111 | I481 F502 V754 L755 A758 Y782 R783 E784 T789 F833 | I481-V786 HydrophobicContact CD1-CB 3.97Å; I481-V786 HydrophobicContact CD1-CG1 4.44Å; I481-V786 HydrophobicContact CD1-CG2 3.51Å; F502-V786 HydrophobicContact CD1-CG1 3.71Å; F502-V786 HydrophobicContact CD2-CG1 3.94Å; F502-V786 HydrophobicContact CE1-CB 4.48Å; F502-V786 HydrophobicContact CE1-CG1 3.7Å; F502-V786 HydrophobicContact CE2-CG1 3.92Å; F502-V786 HydrophobicContact CG-CG1 3.85Å; F502-V786 HydrophobicContact CZ-CB 4.28Å; F502-V786 HydrophobicContact CZ-CG1 3.8Å; V754-V786 HydrophobicContact CG1-CB 4.44Å; V754-V786 HydrophobicContact CG1-CG1 3.69Å; V754-V786 HydrophobicContact CG1-CG2 4.42Å; L755-V786 HydrophobicContact CD2-CG2 4.5Å; A758-V786 HydrophobicContact CB-CB 4.33Å; A758-V786 HydrophobicContact CB-CG2 3.44Å; A758-V786 VanDerWaalsContact CB-CG2 3.44Å; Y782-V786 HydrophobicContact CE2-CG2 4.24Å; Y782-V786 WeakPolarHBondContact O-CG2 3.34Å; Y782-V786 PolarHBondContact O-N 3.33Å; R783-V786 PolarHBondContact O-N 2.96Å; E784-V786 PolarHBondContact O-N 3.17Å; V786-T789 WeakPolarHBondContact CA-OG1 3.4Å; V786-T789 WeakPolarHBondContact O-CB 3.48Å; V786-T789 PolarHBondContact O-N 3.24Å; V786-T789 PolarHBondContact O-OG1 3.5Å; V786-F833 VanDerWaalsContact O-CD2 3.31Å; V786-F833 WeakPolarHBondContact O-CD2 3.24Å; V786-F833 WeakPolarHBondContact O-CE2 3.25Å |
| 787 | F | 89.7 | Confident | 72.5 | Confident | 45 Ų | 45 | 46 Ų | 46 | 20% | 0.197 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.5 | 168.8 | -102.6 | 0 | 0 | 0 | 112.9 | F502 R783 E784 T789 F833 N834 | F502-F787 HydrophobicContact CE1-CB 3.99Å; F502-F787 HydrophobicContact CZ-CB 4.22Å; R783-F787 PolarHBondContact O-N 3.33Å; E784-F787 WeakPolarHBondContact O-CB 3.45Å; E784-F787 PolarHBondContact O-N 2.97Å; F787-T789 PolarHBondContact O-N 3.34Å; F787-T789 VanDerWaalsContact O-N 3.13Å; F787-F833 HydrophobicContact CD2-CB 4.2Å; F787-N834 VanDerWaalsContact CE2-O 3.31Å; F787-N834 WeakPolarHBondContact CE2-O 3.49Å |
| 788 | E | 83.7 | Confident | 69.8 | Low | 106 Ų | 106 | 51.5 Ų | 51.5 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 0.9 | 178.5 | -72 | -175.3 | 167 | 0 | 0 | 114 | E784 L785 D790 | E784-E788 WeakPolarHBondContact O-CB 3.37Å; E784-E788 WeakPolarHBondContact O-CG 3.39Å; E784-E788 PolarHBondContact O-N 2.97Å; L785-E788 PolarHBondContact O-N 3.33Å; E788-D790 PolarHBondContact O-N 3.34Å |
| 789 | T | 77.3 | Confident | 66.9 | Low | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | trans | -70.7 | 113 | -177.2 | -60 | 0 | 0 | 0 | 0 | 110.6 | V754 L785 V786 F787 F791 | V754-T789 HydrophobicContact CB-CG2 4.39Å; V754-T789 HydrophobicContact CG1-CG2 4.25Å; V754-T789 HydrophobicContact CG2-CG2 4.02Å; L785-T789 PolarHBondContact O-N 2.92Å; L785-T789 PolarHBondContact O-OG1 3.01Å; V786-T789 WeakPolarHBondContact CA-OG1 3.4Å; V786-T789 WeakPolarHBondContact O-CB 3.48Å; V786-T789 PolarHBondContact O-N 3.24Å; V786-T789 PolarHBondContact O-OG1 3.5Å; F787-T789 PolarHBondContact O-N 3.34Å; F787-T789 VanDerWaalsContact O-N 3.13Å; T789-F791 HydrophobicContact CG2-CD2 3.5Å; T789-F791 VanDerWaalsContact CG2-CD2 3.5Å; T789-F791 HydrophobicContact CG2-CE1 4.38Å; T789-F791 HydrophobicContact CG2-CE2 2.88Å; T789-F791 HydrophobicContact CG2-CG 4.43Å; T789-F791 HydrophobicContact CG2-CZ 3.34Å | ||
| 790 | D | 67.7 | Low | 63.7 | Low | 40 Ų | 40 | 66 Ų | 66 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | trans | -126.4 | 106.8 | 175.5 | 179.4 | 16.3 | 0 | 0 | 0 | 108.7 | E788 L831 R832 | E788-D790 PolarHBondContact O-N 3.34Å; D790-L831 WeakPolarHBondContact CA-O 3.49Å; D790-R832 HydrophobicContact CB-CG 4.17Å; D790-R832 VanDerWaalsContact OD1-CG 3.24Å; D790-R832 WeakPolarHBondContact OD1-CG 3.48Å; D790-R832 IonicContact OD1-CZ 3.36Å; D790-R832 IonicContact OD1-NE 3.86Å; D790-R832 PolarHBondContact OD1-NE 3.22Å; D790-R832 IonicContact OD1-NH2 2.81Å; D790-R832 IonicContact OD2-CZ 3.93Å; D790-R832 IonicContact OD2-NE 2.62Å; D790-R832 PolarHBondContact OD2-NE 2.99Å; D790-R832 VanDerWaalsContact OD2-NE 3.15Å; D790-R832 IonicContact OD2-NH1 3.52Å; D790-R832 IonicContact OD2-NH2 2.77Å; D790-R832 PolarHBondContact OD2-NH2 2.93Å | ||
| 791 | F | 69.5 | Low | 60.5 | Low | 13 Ų | 13 | 69.9 Ų | 69.9 | 6% | 0.057 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.1 | 176 | -58.3 | -55.6 | 0 | 0 | 0 | 111.5 | I753 A757 T789 Y818 Y820 Q830 L831 | I753-F791 HydrophobicContact CG2-CD2 4.12Å; I753-F791 HydrophobicContact CG2-CE2 4.05Å; A757-F791 HydrophobicContact CB-CE1 4.14Å; A757-F791 HydrophobicContact CB-CE2 3.64Å; A757-F791 HydrophobicContact CB-CZ 3.14Å; T789-F791 HydrophobicContact CG2-CD2 3.5Å; T789-F791 VanDerWaalsContact CG2-CD2 3.5Å; T789-F791 HydrophobicContact CG2-CE1 4.38Å; T789-F791 HydrophobicContact CG2-CE2 2.88Å; T789-F791 HydrophobicContact CG2-CG 4.43Å; T789-F791 HydrophobicContact CG2-CZ 3.34Å; F791-Y818 HydrophobicContact CB-CD1 4.48Å; F791-Y820 HydrophobicContact CD1-CD2 4.47Å; F791-Y820 AromaticContact CE1-CD2 3.79Å; F791-Y820 HydrophobicContact CE1-CD2 3.79Å; F791-Q830 WeakPolarHBondContact O-CA 3.47Å; F791-L831 PolarHBondContact N-O 2.75Å; F791-L831 PolarHBondContact O-N 3.34Å |
| 792 | R | 57.9 | Low | 57.4 | Low | 36 Ų | 36 | 73.2 Ų | 73.2 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.2 | -175.4 | -51.5 | -172 | -175.5 | 172.1 | 5.1 | 110.1 | E824 Q830 | R792-E824 PolarHBondContact NH1-O 3.29Å; R792-Q830 HydrophobicContact CB-CG 4.44Å; R792-Q830 HydrophobicContact CG-CG 3.95Å |
| 793 | Y | 49.8 | Very low | 54.4 | Low | 28 Ų | 28 | 80.5 Ų | 80.5 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 116.7 | 172 | -63.7 | -75.7 | 0 | 0 | 0 | 109.9 | E750 I795 F816 S827 S829 | E750-Y793 VanDerWaalsContact CD-OH 3.29Å; E750-Y793 VanDerWaalsContact CG-OH 3.24Å; E750-Y793 WeakPolarHBondContact CG-OH 3.33Å; E750-Y793 PolarHBondContact OE1-OH 2.74Å; Y793-I795 PolarHBondContact O-N 3.42Å; Y793-F816 AromaticContact CD1-CD1 3.49Å; Y793-F816 HydrophobicContact CD1-CD1 3.49Å; Y793-F816 VanDerWaalsContact CD1-CD1 3.49Å; Y793-F816 AromaticContact CD1-CE1 3.89Å; Y793-F816 HydrophobicContact CD1-CE1 3.89Å; Y793-F816 AromaticContact CE1-CD1 3.68Å; Y793-F816 HydrophobicContact CE1-CD1 3.68Å; Y793-F816 AromaticContact CE1-CE1 3.93Å; Y793-F816 HydrophobicContact CE1-CE1 3.93Å; Y793-F816 HydrophobicContact CE1-CG 4.5Å; Y793-S827 PolarHBondContact O-OG 3.11Å; Y793-S829 VanDerWaalsContact CD2-O 3.31Å; Y793-S829 WeakPolarHBondContact CD2-O 3.34Å; Y793-S829 WeakPolarHBondContact CD2-OG 3.23Å; Y793-S829 PolarHBondContact N-O 3.23Å |
| 794 | T | 37.4 | Very low | 51.4 | Low | 74 Ų | 74 | 82.5 Ų | 82.5 | 45% | 0.454 | 42% | 0.423 | S | S | . | . | trans | -84.1 | 102 | 165.2 | 51.3 | 0 | 0 | 0 | 0 | 108.8 | S796 | T794-S796 PolarHBondContact O-N 3.19Š| ||
| 795 | I | 32.7 | Very low | 48.4 | Very low | 133 Ų | 133 | 88 Ų | 88 | 68% | 0.682 | 45% | 0.446 | S | S | * | . | trans | -70 | 98.3 | 168.1 | -57.2 | 172.3 | 0 | 0 | 0 | 106.6 | Y793 S797 | Y793-I795 PolarHBondContact O-N 3.42Å; I795-S797 PolarHBondContact O-N 2.72Å | ||
| 796 | S | 28.1 | Very low | 45.7 | Very low | 89 Ų | 89 | 92.1 Ų | 92.1 | 62% | 0.622 | 48% | 0.483 | S | S | * | . | trans | -70.3 | 85.1 | 170.3 | 156.9 | 0 | 0 | 0 | 0 | 108.3 | T794 R798 | T794-S796 PolarHBondContact O-N 3.19Å; S796-R798 PolarHBondContact O-N 2.91Å | ||
| 797 | S | 26.7 | Very low | 42.5 | Very low | 85 Ų | 85 | 98.7 Ų | 98.7 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | trans | -70.3 | 68 | 172.4 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | I795 F799 | I795-S797 PolarHBondContact O-N 2.72Å; S797-F799 PolarHBondContact O-N 3.29Å | ||
| 798 | R | 24.1 | Very low | 39.4 | Very low | 185 Ų | 185 | 102.2 Ų | 102.2 | 70% | 0.698 | 55% | 0.545 | S | S | * | . | trans | -81 | 74 | 162.1 | -117.3 | -171.5 | -82.1 | -165 | -4.6 | 107.4 | S796 I800 | S796-R798 PolarHBondContact O-N 2.91Å; R798-I800 VanDerWaalsContact C-N 3.25Å; R798-I800 PolarHBondContact O-N 3.12Å | ||
| 799 | F | 24 | Very low | 36.5 | Very low | 176 Ų | 176 | 103.2 Ų | 103.2 | 77% | 0.772 | 56% | 0.558 | S | S | * | * | trans | -61.2 | 91.4 | 162.5 | -82.1 | -88.7 | 0 | 0 | 0 | 107.4 | S797 M801 | S797-F799 PolarHBondContact O-N 3.29Å; F799-M801 VanDerWaalsContact C-N 3.32Å; F799-M801 PolarHBondContact O-N 2.86Å | ||
| 800 | I | 23.5 | Very low | 34 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 70% | 0.697 | 59% | 0.592 | S | S | * | * | trans | -83 | 92.8 | 162.2 | -58.8 | 179 | 0 | 0 | 0 | 104.7 | R798 D802 | R798-I800 VanDerWaalsContact C-N 3.25Å; R798-I800 PolarHBondContact O-N 3.12Å; I800-D802 HydrophobicContact CG2-CB 4.15Å; I800-D802 PolarHBondContact O-N 3.31Å | ||
| 801 | M | 23.1 | Very low | 31.8 | Very low | 159 Ų | 159 | 112 Ų | 112 | 78% | 0.783 | 61% | 0.61 | S | S | * | * | trans | -65.6 | 87.8 | 160.1 | -69 | -84.3 | -105 | 0 | 0 | 106.1 | F799 | F799-M801 VanDerWaalsContact C-N 3.32Å; F799-M801 PolarHBondContact O-N 2.86Å | ||
| 802 | D | 24.7 | Very low | 29.7 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 60% | 0.599 | 64% | 0.638 | S | S | * | * | trans | -102.3 | 104.7 | 160.4 | -161.7 | -24.5 | 0 | 0 | 0 | 105.6 | I800 S804 | I800-D802 HydrophobicContact CG2-CB 4.15Å; I800-D802 PolarHBondContact O-N 3.31Å; D802-S804 VanDerWaalsContact CG-OG 3.31Å; D802-S804 PolarHBondContact O-N 3.24Å; D802-S804 PolarHBondContact OD1-OG 2.82Å | ||
| 803 | D | 33 | Very low | 28 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 84% | 0.84 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 13.5 | -174.4 | -73.7 | -31.2 | 0 | 0 | 0 | 113.8 | ||
| 804 | S | 30.7 | Very low | 27 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 52% | 0.517 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | -1.7 | -170.7 | 53.4 | 0 | 0 | 0 | 0 | 115.5 | D802 | D802-S804 VanDerWaalsContact CG-OG 3.31Å; D802-S804 PolarHBondContact O-N 3.24Å; D802-S804 PolarHBondContact OD1-OG 2.82Å |
| 805 | F | 27.1 | Very low | 26.4 | Very low | 178 Ų | 178 | 123 Ų | 123 | 78% | 0.781 | 69% | 0.686 | S | S | * | * | trans | -125.8 | 111 | 174.3 | -76 | -84.7 | 0 | 0 | 0 | 112.9 | N807 | F805-N807 PolarHBondContact O-N 2.85Š| ||
| 806 | A | 35.6 | Very low | 26.2 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -68.6 | 8.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 807 | N | 27 | Very low | 26.2 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -138.5 | 100.9 | 173.1 | -81.2 | -27.9 | 0 | 0 | 0 | 108.6 | F805 V809 | F805-N807 PolarHBondContact O-N 2.85Å; N807-V809 PolarHBondContact O-N 3.14Å |
| 808 | P | 23.9 | Very low | 26.4 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | trans | -72.2 | 94 | 176.6 | 28.7 | -30.4 | 0 | 0 | 0 | 108.5 | I810 | P808-I810 PolarHBondContact O-N 3.39Š| ||
| 809 | V | 23.3 | Very low | 26.7 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | trans | -69.4 | 110.8 | 165.1 | 179.1 | 0 | 0 | 0 | 0 | 106.4 | N807 S811 | N807-V809 PolarHBondContact O-N 3.14Å; V809-S811 PolarHBondContact O-N 3.45Å | ||
| 810 | I | 23.6 | Very low | 27.1 | Very low | 145 Ų | 145 | 112.2 Ų | 112.2 | 74% | 0.744 | 62% | 0.621 | S | S | * | * | trans | -68.5 | 83 | 172.7 | -58.4 | 173.1 | 0 | 0 | 0 | 107.1 | P808 L812 | P808-I810 PolarHBondContact O-N 3.39Å; I810-L812 HydrophobicContact CG2-CD1 3.54Å; I810-L812 PolarHBondContact O-N 2.87Å | ||
| 811 | S | 22.9 | Very low | 27.6 | Very low | 86 Ų | 86 | 113 Ų | 113 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | trans | -81.2 | 96.9 | 163 | -167.3 | 0 | 0 | 0 | 0 | 106.1 | V809 D813 | V809-S811 PolarHBondContact O-N 3.45Å; S811-D813 PolarHBondContact O-N 3.11Å | ||
| 812 | L | 24.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | trans | -65.6 | 72 | 165.4 | -116.9 | 91.5 | 0 | 0 | 0 | 107.7 | I810 T814 | I810-L812 HydrophobicContact CG2-CD1 3.54Å; I810-L812 PolarHBondContact O-N 2.87Å; L812-T814 HydrophobicContact CB-CG2 4.25Å; L812-T814 HydrophobicContact CD2-CG2 3.63Å; L812-T814 HydrophobicContact CG-CG2 3.95Å; L812-T814 PolarHBondContact O-N 3.42Å; L812-T814 PolarHBondContact O-OG1 2.85Å | ||
| 813 | D | 23.1 | Very low | 28.7 | Very low | 143 Ų | 143 | 114.3 Ų | 114.3 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | trans | -69.9 | 65.1 | 166.5 | -105.4 | -0.2 | 0 | 0 | 0 | 107.2 | S811 G815 | S811-D813 PolarHBondContact O-N 3.11Å; D813-G815 VanDerWaalsContact C-N 3.27Å; D813-G815 PolarHBondContact O-N 2.79Å | ||
| 814 | T | 27.4 | Very low | 28.6 | Very low | 59 Ų | 59 | 113.4 Ų | 113.4 | 36% | 0.362 | 61% | 0.608 | S | S | . | * | trans | -74.9 | 83.4 | 177.7 | 41.5 | 0 | 0 | 0 | 0 | 108 | L812 F816 | L812-T814 HydrophobicContact CB-CG2 4.25Å; L812-T814 HydrophobicContact CD2-CG2 3.63Å; L812-T814 HydrophobicContact CG-CG2 3.95Å; L812-T814 PolarHBondContact O-N 3.42Å; L812-T814 PolarHBondContact O-OG1 2.85Å; T814-F816 HydrophobicContact CG2-CE1 4.25Å; T814-F816 HydrophobicContact CG2-CZ 4.17Å; T814-F816 WeakPolarHBondContact O-CD2 3.26Å; T814-F816 PolarHBondContact O-N 2.82Å; T814-F816 VanDerWaalsContact OG1-CE2 3.22Å; T814-F816 WeakPolarHBondContact OG1-CE2 3.45Å; T814-F816 VanDerWaalsContact OG1-CZ 3.26Å; T814-F816 WeakPolarHBondContact OG1-CZ 3.42Å | ||
| 815 | G | 25.2 | Very low | 28.7 | Very low | 56 Ų | 56 | 115.4 Ų | 115.4 | 58% | 0.577 | 61% | 0.612 | S | S | * | * | trans | -64.5 | 86.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D813 H817 | D813-G815 VanDerWaalsContact C-N 3.27Å; D813-G815 PolarHBondContact O-N 2.79Å; G815-H817 PolarHBondContact O-N 3.35Å | ||
| 816 | F | 29.7 | Very low | 28.9 | Very low | 98 Ų | 98 | 112.6 Ų | 112.6 | 43% | 0.43 | 60% | 0.6 | S | S | . | * | trans | -64.9 | 100 | 177.6 | -63.3 | -72.1 | 0 | 0 | 0 | 109.8 | Y793 T814 Y818 | Y793-F816 AromaticContact CD1-CD1 3.49Å; Y793-F816 HydrophobicContact CD1-CD1 3.49Å; Y793-F816 VanDerWaalsContact CD1-CD1 3.49Å; Y793-F816 AromaticContact CD1-CE1 3.89Å; Y793-F816 HydrophobicContact CD1-CE1 3.89Å; Y793-F816 AromaticContact CE1-CD1 3.68Å; Y793-F816 HydrophobicContact CE1-CD1 3.68Å; Y793-F816 AromaticContact CE1-CE1 3.93Å; Y793-F816 HydrophobicContact CE1-CE1 3.93Å; Y793-F816 HydrophobicContact CE1-CG 4.5Å; T814-F816 HydrophobicContact CG2-CE1 4.25Å; T814-F816 HydrophobicContact CG2-CZ 4.17Å; T814-F816 WeakPolarHBondContact O-CD2 3.26Å; T814-F816 PolarHBondContact O-N 2.82Å; T814-F816 VanDerWaalsContact OG1-CE2 3.22Å; T814-F816 WeakPolarHBondContact OG1-CE2 3.45Å; T814-F816 VanDerWaalsContact OG1-CZ 3.26Å; T814-F816 WeakPolarHBondContact OG1-CZ 3.42Å; F816-Y818 HydrophobicContact CB-CE2 4.05Å | ||
| 817 | H | 27.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 109.6 Ų | 109.6 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | trans | -92.2 | 117.6 | 170.2 | -91 | -76.9 | 0 | 0 | 0 | 109.6 | G815 | G815-H817 PolarHBondContact O-N 3.35Š| ||
| 818 | Y | 31.4 | Very low | 29.3 | Very low | 25 Ų | 25 | 106.6 Ų | 106.6 | 10% | 0.098 | 57% | 0.567 | C | S | . | * | B | Isolated β-bridge | trans | -87.4 | 117.8 | 177.9 | -62.7 | -90.4 | 0 | 0 | 0 | 109 | F411 Y749 I753 F791 F816 | F411-Y818 AromaticContact CE1-CD2 3.87Å; F411-Y818 HydrophobicContact CE1-CD2 3.87Å; F411-Y818 AromaticContact CE1-CE2 3.71Å; F411-Y818 HydrophobicContact CE1-CE2 3.71Å; F411-Y818 AromaticContact CZ-CD2 3.66Å; F411-Y818 HydrophobicContact CZ-CD2 3.66Å; F411-Y818 AromaticContact CZ-CE2 3.68Å; F411-Y818 HydrophobicContact CZ-CE2 3.68Å; Y749-Y818 VanDerWaalsContact CE1-OH 3.23Å; Y749-Y818 WeakPolarHBondContact CE1-OH 3.48Å; I753-Y818 HydrophobicContact CG1-CE1 4.29Å; I753-Y818 HydrophobicContact CG2-CD1 4.09Å; I753-Y818 HydrophobicContact CG2-CE1 3.99Å; F791-Y818 HydrophobicContact CB-CD1 4.48Å; F816-Y818 HydrophobicContact CB-CE2 4.05Å |
| 819 | V | 30.6 | Very low | 30.4 | Very low | 63 Ų | 63 | 102.4 Ų | 102.4 | 38% | 0.382 | 54% | 0.54 | S | S | . | . | trans | -121.3 | 105.9 | 176.6 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | R821 | V819-R821 HydrophobicContact CG1-CB 3.62Å; V819-R821 PolarHBondContact O-N 3.19Å; V819-R821 VanDerWaalsContact O-N 3.12Å | ||
| 820 | Y | 32 | Very low | 32.3 | Very low | 121 Ų | 121 | 96.9 Ų | 96.9 | 48% | 0.475 | 51% | 0.506 | S | S | . | . | trans | -76.1 | 89.6 | 164.7 | -171.7 | -94.2 | 0 | 0 | 0 | 107.8 | F791 | F791-Y820 HydrophobicContact CD1-CD2 4.47Å; F791-Y820 AromaticContact CE1-CD2 3.79Å; F791-Y820 HydrophobicContact CE1-CD2 3.79Å | ||
| 821 | R | 34 | Very low | 34.9 | Very low | 152 Ų | 152 | 90.2 Ų | 90.2 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | trans | -142.2 | 115 | 174.5 | -155.2 | -176.5 | -73.3 | -178.5 | -3.1 | 108.8 | V819 D823 E824 | V819-R821 HydrophobicContact CG1-CB 3.62Å; V819-R821 PolarHBondContact O-N 3.19Å; V819-R821 VanDerWaalsContact O-N 3.12Å; R821-D823 PolarHBondContact O-N 3.43Å; R821-E824 IonicContact NH1-OE2 3.21Å | ||
| 822 | K | 36.5 | Very low | 37.6 | Very low | 165 Ų | 165 | 90 Ų | 90 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -60.8 | -28 | -179.7 | -93.1 | -177.9 | 172.5 | 177.3 | 0 | 112.8 | ||
| 823 | D | 33.6 | Very low | 40.5 | Very low | 133 Ų | 133 | 84.9 Ų | 84.9 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -115 | 83.3 | -166.9 | -51.5 | -36.3 | 0 | 0 | 0 | 110.8 | R821 | R821-D823 PolarHBondContact O-N 3.43Š|
| 824 | E | 30.8 | Very low | 43 | Very low | 138 Ų | 138 | 78.6 Ų | 78.6 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -176.9 | 172.8 | 157.8 | -106 | 161.1 | -164.7 | 0 | 0 | 110.7 | R792 R821 | R792-E824 PolarHBondContact NH1-O 3.29Å; R821-E824 IonicContact NH1-OE2 3.21Å |
| 825 | I | 33 | Very low | 45.3 | Very low | 117 Ų | 117 | 77.7 Ų | 77.7 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | trans | -62.9 | 144.6 | -162.8 | -68.6 | 163 | 0 | 0 | 0 | 114.4 | F669 | F669-I825 HydrophobicContact CD1-CD1 4.05Å; F669-I825 HydrophobicContact CD1-CG1 4.5Å; F669-I825 HydrophobicContact CD1-CG2 3.98Å; F669-I825 HydrophobicContact CE1-CB 4.37Å; F669-I825 HydrophobicContact CE1-CD1 4.34Å; F669-I825 HydrophobicContact CE1-CG1 4.37Å; F669-I825 HydrophobicContact CE1-CG2 3.17Å; F669-I825 HydrophobicContact CZ-CG2 3.54Å | ||
| 826 | K | 31.3 | Very low | 47.7 | Very low | 118 Ų | 118 | 75.4 Ų | 75.4 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | trans | -80.2 | 110.5 | -171.3 | -58.9 | 178.7 | -172.2 | 179 | 0 | 112 | ||||
| 827 | S | 34.3 | Very low | 50.5 | Low | 41 Ų | 41 | 70.8 Ų | 70.8 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | trans | -90 | 162 | 166.7 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | Y793 S829 Q830 | Y793-S827 PolarHBondContact O-OG 3.11Å; S827-S829 PolarHBondContact O-N 3.25Å; S827-Q830 WeakPolarHBondContact O-CG 3.14Å; S827-Q830 PolarHBondContact O-NE2 2.91Å | ||
| 828 | A | 37.3 | Very low | 53.2 | Low | 74 Ų | 74 | 64.4 Ų | 64.4 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -81.6 | 15.6 | -160.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 829 | S | 47.6 | Very low | 55.8 | Low | 30 Ų | 30 | 63.5 Ų | 63.5 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | trans | -146 | 112.8 | 164.1 | 54.1 | 0 | 0 | 0 | 0 | 109 | Y793 S827 | Y793-S829 VanDerWaalsContact CD2-O 3.31Å; Y793-S829 WeakPolarHBondContact CD2-O 3.34Å; Y793-S829 WeakPolarHBondContact CD2-OG 3.23Å; Y793-S829 PolarHBondContact N-O 3.23Å; S827-S829 PolarHBondContact O-N 3.25Å | ||
| 830 | Q | 63.5 | Low | 57.9 | Low | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.5 | -179.7 | -57.4 | -175 | 8.8 | 0 | 0 | 107.8 | F791 R792 S827 R832 | F791-Q830 WeakPolarHBondContact O-CA 3.47Å; R792-Q830 HydrophobicContact CB-CG 4.44Å; R792-Q830 HydrophobicContact CG-CG 3.95Å; S827-Q830 WeakPolarHBondContact O-CG 3.14Å; S827-Q830 PolarHBondContact O-NE2 2.91Å; Q830-R832 HydrophobicContact CB-CG 4.33Å; Q830-R832 PolarHBondContact O-N 3.28Å |
| 831 | L | 77 | Confident | 59.9 | Low | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 110.4 | 167.8 | 179.4 | 66 | 0 | 0 | 0 | 107.3 | T504 E750 V754 D790 F791 R839 | T504-L831 HydrophobicContact CG2-CD1 4.35Å; T504-L831 HydrophobicContact CG2-CD2 4.37Å; E750-L831 HydrophobicContact CB-CD2 3.94Å; E750-L831 HydrophobicContact CG-CD2 4.17Å; V754-L831 HydrophobicContact CG2-CD2 3.38Å; D790-L831 WeakPolarHBondContact CA-O 3.49Å; F791-L831 PolarHBondContact N-O 2.75Å; F791-L831 PolarHBondContact O-N 3.34Å; L831-R839 HydrophobicContact CD1-CB 4.25Å; L831-R839 HydrophobicContact CD1-CG 3.91Å |
| 832 | R | 79.3 | Confident | 61.4 | Low | 82 Ų | 82 | 51 Ų | 51 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | trans | -136.1 | 144.1 | 173.6 | -67.3 | -176 | -174.3 | -156.6 | -3.6 | 109.9 | D790 Q830 R839 V840 | D790-R832 HydrophobicContact CB-CG 4.17Å; D790-R832 VanDerWaalsContact OD1-CG 3.24Å; D790-R832 WeakPolarHBondContact OD1-CG 3.48Å; D790-R832 IonicContact OD1-CZ 3.36Å; D790-R832 IonicContact OD1-NE 3.86Å; D790-R832 PolarHBondContact OD1-NE 3.22Å; D790-R832 IonicContact OD1-NH2 2.81Å; D790-R832 IonicContact OD2-CZ 3.93Å; D790-R832 IonicContact OD2-NE 2.62Å; D790-R832 PolarHBondContact OD2-NE 2.99Å; D790-R832 VanDerWaalsContact OD2-NE 3.15Å; D790-R832 IonicContact OD2-NH1 3.52Å; D790-R832 IonicContact OD2-NH2 2.77Å; D790-R832 PolarHBondContact OD2-NH2 2.93Å; Q830-R832 HydrophobicContact CB-CG 4.33Å; Q830-R832 PolarHBondContact O-N 3.28Å; R832-R839 WeakPolarHBondContact O-CA 3.31Å; R832-V840 PolarHBondContact O-N 2.83Å | ||
| 833 | F | 85 | Confident | 63 | Low | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -93 | 134 | 172.2 | -61.9 | -71.4 | 0 | 0 | 0 | 110.9 | F502 R503 T504 V754 V786 F787 N837 E838 | F502-F833 HydrophobicContact CB-CE1 4.23Å; F502-F833 AromaticContact CD1-CD1 3.96Å; F502-F833 HydrophobicContact CD1-CD1 3.96Å; F502-F833 HydrophobicContact CD1-CD2 4.24Å; F502-F833 HydrophobicContact CD1-CE1 4.06Å; F502-F833 HydrophobicContact CD1-CE2 4.34Å; F502-F833 HydrophobicContact CD1-CG 4.05Å; F502-F833 HydrophobicContact CD1-CZ 4.25Å; F502-F833 HydrophobicContact CE1-CG 4.47Å; R503-F833 WeakPolarHBondContact O-CE1 3.47Å; T504-F833 HydrophobicContact CG2-CZ 4.44Å; V754-F833 HydrophobicContact CG1-CE2 3.92Å; V754-F833 HydrophobicContact CG1-CZ 4.18Å; V754-F833 HydrophobicContact CG2-CE2 4.17Å; V754-F833 HydrophobicContact CG2-CZ 4.2Å; V786-F833 VanDerWaalsContact O-CD2 3.31Å; V786-F833 WeakPolarHBondContact O-CD2 3.24Å; V786-F833 WeakPolarHBondContact O-CE2 3.25Å; F787-F833 HydrophobicContact CD2-CB 4.2Å; F833-N837 WeakPolarHBondContact CD1-O 3.35Å; F833-E838 CarbonylContact C-O 3.46Å; F833-E838 VanDerWaalsContact CA-O 3.31Å; F833-E838 WeakPolarHBondContact CA-O 3.43Å |
| 834 | N | 77.2 | Confident | 65.2 | Low | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | trans | -76.4 | 177.7 | 165.8 | 69.4 | 7.2 | 0 | 0 | 0 | 110.1 | F787 L836 N837 E838 V840 M879 | F787-N834 VanDerWaalsContact CE2-O 3.31Å; F787-N834 WeakPolarHBondContact CE2-O 3.49Å; N834-L836 PolarHBondContact O-N 2.91Å; N834-L836 WeakPolarHBondContact OD1-CA 3.29Å; N834-L836 WeakPolarHBondContact OD1-CB 3.43Å; N834-L836 PolarHBondContact OD1-N 3.2Å; N834-N837 PolarHBondContact O-N 3.26Å; N834-N837 PolarHBondContact OD1-N 2.9Å; N834-E838 PolarHBondContact N-O 2.74Å; N834-E838 PolarHBondContact ND2-OE2 3.03Å; N834-E838 WeakPolarHBondContact OD1-CB 3.49Å; N834-E838 PolarHBondContact OD1-N 3.43Å; N834-E838 PolarHBondContact OD1-O 2.89Å; N834-V840 HydrophobicContact CB-CG2 3.9Å; N834-M879 HydrophobicContact CB-SD 4.16Å | ||
| 835 | N | 74.5 | Confident | 67.4 | Low | 40 Ų | 40 | 32.7 Ų | 32.7 | 21% | 0.214 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.2 | 177.2 | -98.3 | 18.1 | 0 | 0 | 0 | 115.5 | R495 S876 | R495-N835 WeakPolarHBondContact CD-O 3.33Å; R495-N835 PolarHBondContact NH1-O 3.1Å; N835-S876 WeakPolarHBondContact CB-O 3.45Å; N835-S876 VanDerWaalsContact ND2-CA 3.34Å; N835-S876 WeakPolarHBondContact ND2-CA 3.4Å; N835-S876 WeakPolarHBondContact ND2-CB 3.36Å; N835-S876 PolarHBondContact ND2-O 3.37Å; N835-S876 PolarHBondContact ND2-OG 3.09Å; N835-S876 WeakPolarHBondContact OD1-CB 3.38Å |
| 836 | L | 75.5 | Confident | 69.8 | Low | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 8.4 | 175.6 | -65.4 | -174.4 | 0 | 0 | 0 | 113 | A493 R495 N834 E838 M879 D880 | A493-L836 HydrophobicContact CB-CD1 4.27Å; A493-L836 VanDerWaalsContact O-CD1 3.28Å; A493-L836 WeakPolarHBondContact O-CD1 3.29Å; A493-L836 WeakPolarHBondContact O-CD2 3.35Å; R495-L836 HydrophobicContact CB-CD2 4.13Å; N834-L836 PolarHBondContact O-N 2.91Å; N834-L836 WeakPolarHBondContact OD1-CA 3.29Å; N834-L836 WeakPolarHBondContact OD1-CB 3.43Å; N834-L836 PolarHBondContact OD1-N 3.2Å; L836-E838 HydrophobicContact CB-CG 3.63Å; L836-E838 PolarHBondContact O-N 3.39Å; L836-M879 WeakPolarHBondContact CD1-O 3.43Å; L836-D880 VanDerWaalsContact CD2-OD1 3.3Å; L836-D880 WeakPolarHBondContact CD2-OD1 3.45Å |
| 837 | N | 88.5 | Confident | 72.1 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 64 | 25.1 | -173.4 | -58 | -18.5 | 0 | 0 | 0 | 113.8 | P499 F501 F502 R503 F833 N834 | P499-N837 PolarHBondContact O-ND2 3.03Å; F501-N837 WeakPolarHBondContact O-CB 3.46Å; F501-N837 PolarHBondContact O-ND2 3.09Å; F502-N837 WeakPolarHBondContact CA-O 3.38Å; F502-N837 HydrophobicContact CD1-CB 3.5Å; F502-N837 HydrophobicContact CD2-CB 4.46Å; F502-N837 HydrophobicContact CE1-CB 3.64Å; F502-N837 VanDerWaalsContact CE1-CG 3.43Å; F502-N837 WeakPolarHBondContact CE1-OD1 3.47Å; F502-N837 HydrophobicContact CG-CB 3.93Å; F502-N837 HydrophobicContact CZ-CB 4.2Å; R503-N837 PolarHBondContact N-O 2.68Å; F833-N837 WeakPolarHBondContact CD1-O 3.35Å; N834-N837 PolarHBondContact O-N 3.26Å; N834-N837 PolarHBondContact OD1-N 2.9Å |
| 838 | E | 85.3 | Confident | 74.3 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 144.7 | -178.4 | -41.2 | 174 | 155.1 | 0 | 0 | 110.3 | R503 F833 N834 L836 V840 | R503-E838 HydrophobicContact CG-CB 4.24Å; R503-E838 IonicContact CZ-OE1 3.22Å; R503-E838 IonicContact NE-OE1 2.67Å; R503-E838 VanDerWaalsContact NH2-CD 3.31Å; R503-E838 IonicContact NH2-OE1 2.82Å; R503-E838 PolarHBondContact NH2-OE1 3.33Å; F833-E838 CarbonylContact C-O 3.46Å; F833-E838 VanDerWaalsContact CA-O 3.31Å; F833-E838 WeakPolarHBondContact CA-O 3.43Å; N834-E838 PolarHBondContact N-O 2.74Å; N834-E838 PolarHBondContact ND2-OE2 3.03Å; N834-E838 WeakPolarHBondContact OD1-CB 3.49Å; N834-E838 PolarHBondContact OD1-N 3.43Å; N834-E838 PolarHBondContact OD1-O 2.89Å; L836-E838 HydrophobicContact CB-CG 3.63Å; L836-E838 PolarHBondContact O-N 3.39Å; E838-V840 PolarHBondContact O-N 2.91Å |
| 839 | R | 85.2 | Confident | 76 | Confident | 6 Ų | 6 | 17.8 Ų | 17.8 | 2% | 0.023 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 129 | 171.5 | 176.8 | 174.3 | -173.2 | 154.8 | 15.2 | 111 | R503 T504 P506 H747 E750 L831 R832 A841 | R503-R839 PolarHBondContact O-N 2.91Å; T504-R839 WeakPolarHBondContact O-CD 3.28Å; T504-R839 PolarHBondContact O-NH1 3.14Å; P506-R839 HydrophobicContact CG-CB 4.31Å; P506-R839 HydrophobicContact CG-CG 4.08Å; H747-R839 PolarHBondContact CE1-NH1 3Å; H747-R839 PolarHBondContact ND1-NH1 3.01Å; E750-R839 VanDerWaalsContact CD-NH1 3.28Å; E750-R839 IonicContact OE1-CZ 3.44Å; E750-R839 IonicContact OE1-NH1 2.97Å; E750-R839 PolarHBondContact OE1-NH1 2.99Å; E750-R839 VanDerWaalsContact OE1-NH1 3.11Å; E750-R839 IonicContact OE1-NH2 3.84Å; E750-R839 PolarHBondContact OE1-NH2 3.47Å; E750-R839 IonicContact OE2-CZ 2.68Å; E750-R839 IonicContact OE2-NH1 3.28Å; E750-R839 PolarHBondContact OE2-NH1 3.31Å; E750-R839 IonicContact OE2-NH2 2.68Å; L831-R839 HydrophobicContact CD1-CB 4.25Å; L831-R839 HydrophobicContact CD1-CG 3.91Å; R832-R839 WeakPolarHBondContact O-CA 3.31Å; R839-A841 PolarHBondContact O-N 2.93Å |
| 840 | V | 74.9 | Confident | 76.7 | Confident | 36 Ų | 36 | 19.2 Ų | 19.2 | 22% | 0.218 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 121.8 | 168.6 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | R832 N834 E838 L862 | R832-V840 PolarHBondContact O-N 2.83Å; N834-V840 HydrophobicContact CB-CG2 3.9Å; E838-V840 PolarHBondContact O-N 2.91Å; V840-L862 HydrophobicContact CG1-CD1 4.13Å |
| 841 | A | 72.9 | Confident | 76.4 | Confident | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -82 | 127.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P506 H647 R839 F843 W844 | P506-A841 HydrophobicContact CB-CB 4.1Å; P506-A841 HydrophobicContact CG-CB 4.2Å; H647-A841 HydrophobicContact CB-CB 3.77Å; R839-A841 PolarHBondContact O-N 2.93Å; A841-F843 VanDerWaalsContact C-N 3.29Å; A841-F843 PolarHBondContact O-N 3.43Å; A841-W844 HydrophobicContact CB-CZ2 4.12Å |
| 842 | D | 66.7 | Low | 75.1 | Confident | 36 Ų | 36 | 30.1 Ų | 30.1 | 19% | 0.193 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -64.6 | -34.2 | 175.8 | -57 | -64 | 0 | 0 | 0 | 112.9 | Q648 S861 | Q648-D842 PolarHBondContact NE2-OD2 3.2Å; D842-S861 PolarHBondContact O-OG 3.47Å |
| 843 | F | 69.6 | Low | 73.6 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 17% | 0.167 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 139.5 | -173.9 | -56.2 | -72 | 0 | 0 | 0 | 112.9 | H647 Q648 A841 L859 W860 S861 | H647-F843 WeakPolarHBondContact CA-O 3.11Å; Q648-F843 HydrophobicContact CB-CB 4.22Å; Q648-F843 HydrophobicContact CG-CD2 4.39Å; Q648-F843 PolarHBondContact N-O 3Å; Q648-F843 PolarHBondContact OE1-O 3.37Å; A841-F843 VanDerWaalsContact C-N 3.29Å; A841-F843 PolarHBondContact O-N 3.43Å; F843-L859 HydrophobicContact CB-CD1 3.62Å; F843-L859 HydrophobicContact CD1-CD1 3.73Å; F843-L859 HydrophobicContact CD1-CD2 4.16Å; F843-L859 HydrophobicContact CD1-CG 4.1Å; F843-L859 HydrophobicContact CE1-CD2 4.49Å; F843-L859 HydrophobicContact CG-CD1 3.86Å; F843-W860 CarbonylContact C-O 3.55Å; F843-W860 VanDerWaalsContact CA-O 3.27Å; F843-W860 WeakPolarHBondContact CA-O 3.46Å; F843-S861 WeakPolarHBondContact CE1-OG 3.33Å |
| 844 | W | 79.3 | Confident | 72.2 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.7 | 167.6 | -65.8 | 81.5 | 0 | 0 | 0 | 109.3 | S507 M508 H510 V511 I514 H647 A841 L859 W860 M897 | S507-W844 VanDerWaalsContact O-CH2 3.28Å; S507-W844 WeakPolarHBondContact O-CH2 3.41Å; M508-W844 HydrophobicContact SD-CZ3 4.25Å; H510-W844 HydrophobicContact CB-CH2 4.25Å; H510-W844 HydrophobicContact CB-CZ2 3.7Å; H510-W844 AromaticContact ND1-CE2 3.88Å; H510-W844 AromaticContact ND1-CZ2 3.49Å; H510-W844 WeakPolarHBondContact ND1-CZ2 3.22Å; H510-W844 AromaticContact ND1-NE1 3.86Å; V511-W844 HydrophobicContact CG2-CE3 3.87Å; V511-W844 HydrophobicContact CG2-CH2 3.97Å; V511-W844 HydrophobicContact CG2-CZ3 3.23Å; I514-W844 HydrophobicContact CD1-CB 3.45Å; I514-W844 VanDerWaalsContact CD1-CB 3.45Å; I514-W844 HydrophobicContact CD1-CD2 3.58Å; I514-W844 HydrophobicContact CD1-CE3 3.83Å; I514-W844 HydrophobicContact CD1-CG 3.42Å; I514-W844 VanDerWaalsContact CD1-CG 3.42Å; H647-W844 HydrophobicContact CB-CD2 4.22Å; H647-W844 HydrophobicContact CB-CE3 4.09Å; H647-W844 HydrophobicContact CB-CH2 4.24Å; H647-W844 HydrophobicContact CB-CZ2 4.36Å; H647-W844 HydrophobicContact CB-CZ3 4.08Å; A841-W844 HydrophobicContact CB-CZ2 4.12Å; W844-L859 WeakPolarHBondContact O-CA 3.4Å; W844-W860 HydrophobicContact CB-CB 4.37Å; W844-W860 HydrophobicContact CB-CE3 4.32Å; W844-W860 PolarHBondContact N-O 3.31Å; W844-W860 PolarHBondContact O-N 3.31Å; W844-M897 HydrophobicContact CG-CE 4.39Å |
| 845 | L | 77.6 | Confident | 71.3 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.8 | -172 | -63.1 | 166.5 | 0 | 0 | 0 | 109.2 | V645 G646 Q648 M651 L654 P856 V858 L859 | V645-L845 WeakPolarHBondContact CA-O 3.47Å; G646-L845 PolarHBondContact N-O 2.92Å; G646-L845 VanDerWaalsContact N-O 3.07Å; G646-L845 PolarHBondContact O-N 2.98Å; Q648-L845 HydrophobicContact CB-CD1 4.4Å; M651-L845 HydrophobicContact CB-CD1 4.44Å; M651-L845 HydrophobicContact CE-CB 3.65Å; M651-L845 HydrophobicContact CE-CD1 4.27Å; M651-L845 HydrophobicContact SD-CB 3.47Å; M651-L845 WeakPolarHBondContact SD-CB 3.41Å; M651-L845 HydrophobicContact SD-CD1 4.03Å; M651-L845 HydrophobicContact SD-CG 4.34Å; L654-L845 HydrophobicContact CD1-CD1 4.02Å; L845-P856 HydrophobicContact CB-CB 4.31Å; L845-P856 HydrophobicContact CD2-CB 3.71Å; L845-P856 HydrophobicContact CD2-CG 4.2Å; L845-P856 HydrophobicContact CG-CB 4.48Å; L845-V858 CarbonylContact C-O 3.47Å; L845-V858 VanDerWaalsContact CA-O 3.29Å; L845-V858 WeakPolarHBondContact CA-O 3.32Å; L845-L859 HydrophobicContact CD2-CB 4.32Å; L845-L859 HydrophobicContact CD2-CD1 3.29Å; L845-L859 HydrophobicContact CD2-CG 4.41Å; L845-L859 HydrophobicContact CG-CD1 4.25Å |
| 846 | L | 83.5 | Confident | 70.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.9 | 161.7 | -179.9 | 68.6 | 0 | 0 | 0 | 108.1 | L518 W522 F610 F643 T644 V645 P856 I857 V858 W860 | L518-L846 HydrophobicContact CD1-CD1 4.11Å; L518-L846 HydrophobicContact CD1-CD2 3.93Å; L518-L846 HydrophobicContact CD2-CD2 4.23Å; W522-L846 HydrophobicContact CH2-CD2 3.84Å; W522-L846 HydrophobicContact CZ2-CD2 4.18Å; F610-L846 HydrophobicContact CE1-CD1 3.97Å; F643-L846 HydrophobicContact CB-CD1 4.28Å; F643-L846 HydrophobicContact CD1-CD1 4.1Å; F643-L846 HydrophobicContact CD1-CD2 4.3Å; F643-L846 HydrophobicContact CD1-CG 4.27Å; T644-L846 CarbonylContact O-C 3.6Å; T644-L846 WeakPolarHBondContact O-CA 3.43Å; V645-L846 HydrophobicContact CG2-CD1 3.47Å; V645-L846 VanDerWaalsContact CG2-CD1 3.47Å; L846-P856 CarbonylContact O-C 3.57Å; L846-P856 VanDerWaalsContact O-CA 3.29Å; L846-P856 WeakPolarHBondContact O-CA 3.08Å; L846-I857 HydrophobicContact CB-CG1 4.17Å; L846-I857 HydrophobicContact CD2-CD1 3.48Å; L846-I857 VanDerWaalsContact CD2-CD1 3.48Å; L846-I857 HydrophobicContact CD2-CG1 3.89Å; L846-I857 HydrophobicContact CG-CD1 3.77Å; L846-I857 HydrophobicContact CG-CG1 3.84Å; L846-I857 VanDerWaalsContact O-CG1 3.24Å; L846-I857 WeakPolarHBondContact O-CG1 3.45Å; L846-I857 PolarHBondContact O-N 3.33Å; L846-V858 HydrophobicContact CB-CB 3.85Å; L846-V858 HydrophobicContact CB-CG2 4.15Å; L846-V858 HydrophobicContact CD2-CB 4.4Å; L846-V858 HydrophobicContact CD2-CG2 3.81Å; L846-V858 PolarHBondContact N-O 2.9Å; L846-V858 PolarHBondContact O-N 2.9Å; L846-W860 HydrophobicContact CB-CH2 3.93Å; L846-W860 HydrophobicContact CB-CZ3 3.78Å |
| 847 | K | 79.2 | Confident | 70.4 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.3 | 178.5 | 171.8 | -178.9 | -176.2 | -176.3 | 0 | 110 | F643 T644 M651 E652 H849 T854 | F643-K847 CarbonylContact C-O 3.53Å; F643-K847 WeakPolarHBondContact CA-O 3.31Å; T644-K847 PolarHBondContact N-O 3.09Å; T644-K847 PolarHBondContact O-N 3.29Å; M651-K847 HydrophobicContact CE-CB 3.24Å; M651-K847 HydrophobicContact CE-CD 3.75Å; M651-K847 HydrophobicContact CE-CG 4.09Å; E652-K847 IonicContact OE2-NZ 2.68Å; K847-H849 VanDerWaalsContact CE-CE1 3.43Å; K847-H849 WeakPolarHBondContact CE-CE1 3.44Å; K847-T854 HydrophobicContact CD-CG2 3.85Å; K847-T854 HydrophobicContact CG-CG2 3.62Å |
| 848 | Q | 80.6 | Confident | 69.5 | Low | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.9 | 169 | -173.6 | 179.4 | 23.6 | 0 | 0 | 108.4 | F643 Q850 I857 N906 | F643-Q848 HydrophobicContact CD1-CB 4.36Å; F643-Q848 HydrophobicContact CE1-CB 4.13Å; F643-Q848 HydrophobicContact CE1-CG 4.06Å; F643-Q848 HydrophobicContact CZ-CG 4.07Å; Q848-Q850 PolarHBondContact O-N 2.98Å; Q848-Q850 VanDerWaalsContact O-N 3.17Å; Q848-I857 HydrophobicContact CB-CD1 4.06Å; Q848-I857 HydrophobicContact CB-CG1 4.47Å; Q848-I857 HydrophobicContact CB-CG2 4.33Å; Q848-N906 PolarHBondContact NE2-O 3.34Å |
| 849 | H | 73.9 | Confident | 68.4 | Low | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | trans | -87.3 | 56.5 | -170.1 | -70.9 | -104.1 | 0 | 0 | 0 | 114.7 | S640 T642 T644 K847 | S640-H849 CarbonylContact C-O 3.52Å; S640-H849 WeakPolarHBondContact CA-O 3.37Å; S640-H849 CarbonylContact O-C 3.57Å; T642-H849 PolarHBondContact O-CD2 3.3Å; T642-H849 PolarHBondContact O-N 3.38Å; T642-H849 VanDerWaalsContact O-N 3.17Å; T644-H849 PolarHBondContact OG1-NE2 2.88Å; K847-H849 VanDerWaalsContact CE-CE1 3.43Å; K847-H849 WeakPolarHBondContact CE-CE1 3.44Å | ||
| 850 | Q | 62.2 | Low | 67.5 | Low | 59 Ų | 59 | 36.8 Ų | 36.8 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | trans | -71.6 | 154.2 | -178.2 | -83.1 | -158.8 | -27 | 0 | 0 | 116.2 | W641 Q848 N852 N906 | W641-Q850 VanDerWaalsContact CH2-NE2 3.26Å; W641-Q850 HydrophobicContact CZ3-CG 4.44Å; Q848-Q850 PolarHBondContact O-N 2.98Å; Q848-Q850 VanDerWaalsContact O-N 3.17Å; Q850-N852 PolarHBondContact O-N 3.4Å; Q850-N906 PolarHBondContact NE2-ND2 3.06Å; Q850-N906 PolarHBondContact OE1-ND2 3.04Å | ||
| 851 | I | 57.1 | Low | 67 | Low | 92 Ų | 92 | 35.8 Ų | 35.8 | 47% | 0.472 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -18.4 | -170.3 | -65 | 177.2 | 0 | 0 | 0 | 116.3 | ||
| 852 | N | 48.4 | Very low | 66.5 | Low | 154 Ų | 154 | 37.6 Ų | 37.6 | 82% | 0.824 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | -6.5 | -179.4 | -82.3 | -42.6 | 0 | 0 | 0 | 116.4 | Q850 | Q850-N852 PolarHBondContact O-N 3.4Š|
| 853 | I | 49 | Very low | 65.8 | Low | 110 Ų | 110 | 38.8 Ų | 38.8 | 56% | 0.564 | 21% | 0.207 | S | C | * | . | trans | -152.8 | 100 | -179.8 | -28.2 | 172.3 | 0 | 0 | 0 | 107.8 | V855 | I853-V855 HydrophobicContact CB-CG2 3.97Å; I853-V855 HydrophobicContact CG2-CG2 3.36Å; I853-V855 PolarHBondContact O-N 3.37Å | ||
| 854 | T | 54.7 | Low | 64.9 | Low | 50 Ų | 50 | 42.4 Ų | 42.4 | 31% | 0.307 | 22% | 0.224 | S | C | . | . | trans | -83.4 | 101.4 | 173.6 | -36.1 | 0 | 0 | 0 | 0 | 109.3 | L654 K847 | L654-T854 WeakPolarHBondContact CD2-O 3.35Å; K847-T854 HydrophobicContact CD-CG2 3.85Å; K847-T854 HydrophobicContact CG-CG2 3.62Å | ||
| 855 | V | 58.7 | Low | 63 | Low | 63 Ų | 63 | 50.7 Ų | 50.7 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138 | -175.5 | -167.9 | 0 | 0 | 0 | 0 | 108.8 | I853 I857 | I853-V855 HydrophobicContact CB-CG2 3.97Å; I853-V855 HydrophobicContact CG2-CG2 3.36Å; I853-V855 PolarHBondContact O-N 3.37Å; V855-I857 PolarHBondContact O-N 2.84Å |
| 856 | P | 62.8 | Low | 61.3 | Low | 36 Ų | 36 | 57.2 Ų | 57.2 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 128.1 | 168.5 | 30.8 | -37.4 | 0 | 0 | 0 | 108.2 | L654 L845 L846 | L654-P856 HydrophobicContact CD1-CB 4.16Å; L654-P856 VanDerWaalsContact CD1-CD 3.44Å; L654-P856 HydrophobicContact CD1-CG 3.49Å; L654-P856 VanDerWaalsContact CD1-CG 3.49Å; L654-P856 VanDerWaalsContact CD2-CD 3.45Å; L654-P856 HydrophobicContact CD2-CG 4.45Å; L845-P856 HydrophobicContact CB-CB 4.31Å; L845-P856 HydrophobicContact CD2-CB 3.71Å; L845-P856 HydrophobicContact CD2-CG 4.2Å; L845-P856 HydrophobicContact CG-CB 4.48Å; L846-P856 CarbonylContact O-C 3.57Å; L846-P856 VanDerWaalsContact O-CA 3.29Å; L846-P856 WeakPolarHBondContact O-CA 3.08Å |
| 857 | I | 69.2 | Low | 59.3 | Low | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -24.6 | 178.1 | 47.1 | 167.4 | 0 | 0 | 0 | 111.3 | F643 L846 Q848 V855 V905 | F643-I857 HydrophobicContact CD1-CD1 3.98Å; F643-I857 HydrophobicContact CE1-CD1 3.58Å; L846-I857 HydrophobicContact CB-CG1 4.17Å; L846-I857 HydrophobicContact CD2-CD1 3.48Å; L846-I857 VanDerWaalsContact CD2-CD1 3.48Å; L846-I857 HydrophobicContact CD2-CG1 3.89Å; L846-I857 HydrophobicContact CG-CD1 3.77Å; L846-I857 HydrophobicContact CG-CG1 3.84Å; L846-I857 VanDerWaalsContact O-CG1 3.24Å; L846-I857 WeakPolarHBondContact O-CG1 3.45Å; L846-I857 PolarHBondContact O-N 3.33Å; Q848-I857 HydrophobicContact CB-CD1 4.06Å; Q848-I857 HydrophobicContact CB-CG1 4.47Å; Q848-I857 HydrophobicContact CB-CG2 4.33Å; V855-I857 PolarHBondContact O-N 2.84Å; I857-V905 HydrophobicContact CB-CG2 4.4Å; I857-V905 HydrophobicContact CD1-CB 4.18Å; I857-V905 HydrophobicContact CD1-CG1 3.75Å; I857-V905 HydrophobicContact CD1-CG2 3.72Å; I857-V905 HydrophobicContact CG1-CG2 4.49Å |
| 858 | V | 68.5 | Low | 57.4 | Low | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.6 | 179.5 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | L845 L846 W860 E899 W901 I902 | L845-V858 CarbonylContact C-O 3.47Å; L845-V858 VanDerWaalsContact CA-O 3.29Å; L845-V858 WeakPolarHBondContact CA-O 3.32Å; L846-V858 HydrophobicContact CB-CB 3.85Å; L846-V858 HydrophobicContact CB-CG2 4.15Å; L846-V858 HydrophobicContact CD2-CB 4.4Å; L846-V858 HydrophobicContact CD2-CG2 3.81Å; L846-V858 PolarHBondContact N-O 2.9Å; L846-V858 PolarHBondContact O-N 2.9Å; V858-W860 HydrophobicContact CB-CE3 4.48Å; V858-W860 HydrophobicContact CB-CH2 3.57Å; V858-W860 HydrophobicContact CB-CZ2 4.03Å; V858-W860 HydrophobicContact CB-CZ3 3.84Å; V858-W860 HydrophobicContact CG1-CD2 3.87Å; V858-W860 VanDerWaalsContact CG1-CE2 3.48Å; V858-W860 HydrophobicContact CG1-CE3 3.96Å; V858-W860 HydrophobicContact CG1-CH2 3.27Å; V858-W860 HydrophobicContact CG1-CZ2 3.2Å; V858-W860 HydrophobicContact CG1-CZ3 3.67Å; V858-W860 HydrophobicContact CG2-CH2 4.26Å; V858-E899 HydrophobicContact CG1-CG 4.33Å; V858-W901 VanDerWaalsContact CA-O 3.23Å; V858-W901 WeakPolarHBondContact CA-O 3.39Å; V858-W901 WeakPolarHBondContact CB-O 3.43Å; V858-W901 VanDerWaalsContact CG1-O 3.26Å; V858-W901 WeakPolarHBondContact CG1-O 3.3Å; V858-I902 HydrophobicContact CB-CG1 4.33Å; V858-I902 HydrophobicContact CG1-CD1 4.42Å; V858-I902 HydrophobicContact CG1-CG1 3.65Å; V858-I902 HydrophobicContact CG2-CB 4.48Å; V858-I902 HydrophobicContact CG2-CG1 3.7Å |
| 859 | L | 62.7 | Low | 55.5 | Low | 17 Ų | 17 | 71.2 Ų | 71.2 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120 | 176.1 | 178.3 | 78.1 | 0 | 0 | 0 | 109 | F843 W844 L845 R900 | F843-L859 HydrophobicContact CB-CD1 3.62Å; F843-L859 HydrophobicContact CD1-CD1 3.73Å; F843-L859 HydrophobicContact CD1-CD2 4.16Å; F843-L859 HydrophobicContact CD1-CG 4.1Å; F843-L859 HydrophobicContact CE1-CD2 4.49Å; F843-L859 HydrophobicContact CG-CD1 3.86Å; W844-L859 WeakPolarHBondContact O-CA 3.4Å; L845-L859 HydrophobicContact CD2-CB 4.32Å; L845-L859 HydrophobicContact CD2-CD1 3.29Å; L845-L859 HydrophobicContact CD2-CG 4.41Å; L845-L859 HydrophobicContact CG-CD1 4.25Å; L859-R900 PolarHBondContact O-N 3.36Å; L859-R900 VanDerWaalsContact O-N 3.15Å |
| 860 | W | 65.4 | Low | 54.1 | Low | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.008 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140.5 | 168.5 | -63.6 | -84.5 | 0 | 0 | 0 | 110.9 | I514 L518 F843 W844 L846 V858 M897 | I514-W860 HydrophobicContact CG2-CD2 4.03Å; I514-W860 HydrophobicContact CG2-CE3 3.67Å; I514-W860 HydrophobicContact CG2-CH2 3.57Å; I514-W860 HydrophobicContact CG2-CZ2 3.89Å; I514-W860 HydrophobicContact CG2-CZ3 3.44Å; I514-W860 VanDerWaalsContact CG2-CZ3 3.44Å; L518-W860 HydrophobicContact CD1-CH2 3.71Å; L518-W860 HydrophobicContact CD1-CZ2 4.26Å; L518-W860 HydrophobicContact CD2-CH2 3.62Å; L518-W860 HydrophobicContact CD2-CZ2 3.52Å; L518-W860 HydrophobicContact CG-CH2 3.74Å; L518-W860 HydrophobicContact CG-CZ2 3.77Å; F843-W860 CarbonylContact C-O 3.55Å; F843-W860 VanDerWaalsContact CA-O 3.27Å; F843-W860 WeakPolarHBondContact CA-O 3.46Å; W844-W860 HydrophobicContact CB-CB 4.37Å; W844-W860 HydrophobicContact CB-CE3 4.32Å; W844-W860 PolarHBondContact N-O 3.31Å; W844-W860 PolarHBondContact O-N 3.31Å; L846-W860 HydrophobicContact CB-CH2 3.93Å; L846-W860 HydrophobicContact CB-CZ3 3.78Å; V858-W860 HydrophobicContact CB-CE3 4.48Å; V858-W860 HydrophobicContact CB-CH2 3.57Å; V858-W860 HydrophobicContact CB-CZ2 4.03Å; V858-W860 HydrophobicContact CB-CZ3 3.84Å; V858-W860 HydrophobicContact CG1-CD2 3.87Å; V858-W860 VanDerWaalsContact CG1-CE2 3.48Å; V858-W860 HydrophobicContact CG1-CE3 3.96Å; V858-W860 HydrophobicContact CG1-CH2 3.27Å; V858-W860 HydrophobicContact CG1-CZ2 3.2Å; V858-W860 HydrophobicContact CG1-CZ3 3.67Å; V858-W860 HydrophobicContact CG2-CH2 4.26Å; W860-M897 HydrophobicContact CB-CE 3.53Å; W860-M897 HydrophobicContact CG-CE 4.31Å |
| 861 | S | 65.3 | Low | 53.2 | Low | 16 Ų | 16 | 83.4 Ų | 83.4 | 11% | 0.112 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 154.2 | 170.5 | -163.1 | 0 | 0 | 0 | 0 | 109.3 | D842 F843 D863 G898 | D842-S861 PolarHBondContact O-OG 3.47Å; F843-S861 WeakPolarHBondContact CE1-OG 3.33Å; S861-D863 PolarHBondContact O-N 2.87Å; S861-G898 PolarHBondContact N-O 2.69Å; S861-G898 PolarHBondContact O-N 2.95Å |
| 862 | L | 61.7 | Low | 52.5 | Low | 41 Ų | 41 | 81.7 Ų | 81.7 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 118.5 | 171.9 | -85 | 147.9 | 0 | 0 | 0 | 109.3 | V840 Q864 L875 L896 M897 | V840-L862 HydrophobicContact CG1-CD1 4.13Å; L862-Q864 PolarHBondContact O-N 3.1Å; L862-Q864 VanDerWaalsContact O-N 3.08Å; L862-L875 HydrophobicContact CD2-CD2 4.49Å; L862-L896 HydrophobicContact CD2-CB 4.44Å; L862-M897 HydrophobicContact CD2-SD 4.26Å; L862-M897 HydrophobicContact CG-SD 3.88Å |
| 863 | D | 53 | Low | 52.2 | Low | 61 Ų | 61 | 80.4 Ų | 80.4 | 33% | 0.326 | 43% | 0.431 | S | S | . | . | trans | -70 | 105.6 | 178 | -82.7 | -23.7 | 0 | 0 | 0 | 110 | S861 E865 L896 G898 | S861-D863 PolarHBondContact O-N 2.87Å; D863-E865 PolarHBondContact O-N 3.38Å; D863-L896 PolarHBondContact N-O 2.88Å; D863-G898 WeakPolarHBondContact OD2-CA 3.32Å | ||
| 864 | Q | 50.1 | Low | 51.8 | Low | 113 Ų | 113 | 79.2 Ų | 79.2 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -69.8 | -18.3 | -177.6 | -70.7 | -170.7 | -1.1 | 0 | 0 | 113.5 | L862 F866 V867 | L862-Q864 PolarHBondContact O-N 3.1Å; L862-Q864 VanDerWaalsContact O-N 3.08Å; Q864-F866 PolarHBondContact O-N 2.83Å; Q864-V867 PolarHBondContact O-N 3.24Å |
| 865 | E | 40.2 | Very low | 51.1 | Low | 178 Ų | 178 | 79.7 Ų | 79.7 | 83% | 0.832 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -64.9 | -23.1 | -176.4 | -73.8 | -172.1 | 166.1 | 0 | 0 | 113.4 | D863 V867 S868 | D863-E865 PolarHBondContact O-N 3.38Å; E865-V867 VanDerWaalsContact C-N 3.35Å; E865-V867 PolarHBondContact O-N 3.23Å; E865-S868 PolarHBondContact O-OG 3.39Å |
| 866 | F | 40.6 | Very low | 50.3 | Low | 146 Ų | 146 | 78.5 Ų | 78.5 | 64% | 0.64 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -82.3 | -4.7 | 179.4 | -84.5 | -81 | 0 | 0 | 0 | 115 | Q864 L896 | Q864-F866 PolarHBondContact O-N 2.83Å; F866-L896 HydrophobicContact CB-CD2 4.1Å |
| 867 | V | 42 | Very low | 49.4 | Very low | 90 Ų | 90 | 78.1 Ų | 78.1 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -93.6 | -2.2 | -171.9 | -173.5 | 0 | 0 | 0 | 0 | 113.3 | Q864 E865 | Q864-V867 PolarHBondContact O-N 3.24Å; E865-V867 VanDerWaalsContact C-N 3.35Å; E865-V867 PolarHBondContact O-N 3.23Å |
| 868 | S | 39.6 | Very low | 48.2 | Very low | 94 Ų | 94 | 78.1 Ų | 78.1 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | trans | -91 | -6 | -175.3 | 51.5 | 0 | 0 | 0 | 0 | 116.4 | E865 D870 | E865-S868 PolarHBondContact O-OG 3.39Å; S868-D870 PolarHBondContact O-N 3.16Å | ||
| 869 | D | 41.5 | Very low | 47.1 | Very low | 131 Ų | 131 | 78.8 Ų | 78.8 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | trans | -85.9 | 105.6 | 176.5 | -101 | -14 | 0 | 0 | 0 | 111.2 | N871 S872 | D869-N871 PolarHBondContact O-N 3.07Å; D869-S872 PolarHBondContact O-N 3.49Å; D869-S872 PolarHBondContact O-OG 2.97Å | ||
| 870 | D | 44 | Very low | 46.6 | Very low | 166 Ų | 166 | 80.5 Ų | 80.5 | 89% | 0.888 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -4 | -175.6 | -89.4 | -26.4 | 0 | 0 | 0 | 116.2 | S868 | S868-D870 PolarHBondContact O-N 3.16Š|
| 871 | N | 43.1 | Very low | 45.7 | Very low | 166 Ų | 166 | 81.5 Ų | 81.5 | 89% | 0.888 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 2.8 | -179.7 | -72.4 | -41 | 0 | 0 | 0 | 114.8 | D869 | D869-N871 PolarHBondContact O-N 3.07Š|
| 872 | S | 42.8 | Very low | 45 | Very low | 55 Ų | 55 | 82.8 Ų | 82.8 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -86.6 | 131.1 | 174.2 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | D869 | D869-S872 PolarHBondContact O-N 3.49Å; D869-S872 PolarHBondContact O-OG 2.97Å |
| 873 | M | 40.8 | Very low | 44.5 | Very low | 127 Ų | 127 | 84.7 Ų | 84.7 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -46.1 | 128.4 | 175.9 | -155 | -177.6 | 170.8 | 0 | 0 | 109.5 | L875 | M873-L875 PolarHBondContact O-N 2.83Š|
| 874 | P | 40.8 | Very low | 44.4 | Very low | 85 Ų | 85 | 82.1 Ų | 82.1 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 135.8 | -169.1 | 21.2 | -32.1 | 0 | 0 | 0 | 109.9 | S876 S877 | P874-S876 WeakPolarHBondContact CB-OG 3.24Å; P874-S876 PolarHBondContact O-N 3.33Å; P874-S877 WeakPolarHBondContact O-CB 3.32Å; P874-S877 PolarHBondContact O-N 3.46Å; P874-S877 PolarHBondContact O-OG 3.45Å |
| 875 | L | 40.4 | Very low | 44.6 | Very low | 60 Ų | 60 | 79.7 Ų | 79.7 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -40.7 | -32.2 | 174.9 | 178.1 | 66.2 | 0 | 0 | 0 | 112.7 | L862 M873 S877 L878 L896 | L862-L875 HydrophobicContact CD2-CD2 4.49Å; M873-L875 PolarHBondContact O-N 2.83Å; L875-S877 VanDerWaalsContact C-N 3.25Å; L875-S877 PolarHBondContact O-N 2.98Å; L875-L878 WeakPolarHBondContact O-CB 3.39Å; L875-L878 PolarHBondContact O-N 2.9Å; L875-L896 HydrophobicContact CD1-CD1 3.28Å; L875-L896 HydrophobicContact CD1-CD2 4.29Å; L875-L896 HydrophobicContact CD1-CG 4.32Å |
| 876 | S | 41.4 | Very low | 45.5 | Very low | 38 Ų | 38 | 75.4 Ų | 75.4 | 27% | 0.266 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -52.8 | -32.8 | 175.1 | 93.2 | 0 | 0 | 0 | 0 | 114.2 | N835 P874 | N835-S876 WeakPolarHBondContact CB-O 3.45Å; N835-S876 VanDerWaalsContact ND2-CA 3.34Å; N835-S876 WeakPolarHBondContact ND2-CA 3.4Å; N835-S876 WeakPolarHBondContact ND2-CB 3.36Å; N835-S876 PolarHBondContact ND2-O 3.37Å; N835-S876 PolarHBondContact ND2-OG 3.09Å; N835-S876 WeakPolarHBondContact OD1-CB 3.38Å; P874-S876 WeakPolarHBondContact CB-OG 3.24Å; P874-S876 PolarHBondContact O-N 3.33Å |
| 877 | S | 44.1 | Very low | 46 | Very low | 28 Ų | 28 | 72.4 Ų | 72.4 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -74.9 | -25.8 | 174.4 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | P874 L875 | P874-S877 WeakPolarHBondContact O-CB 3.32Å; P874-S877 PolarHBondContact O-N 3.46Å; P874-S877 PolarHBondContact O-OG 3.45Å; L875-S877 VanDerWaalsContact C-N 3.25Å; L875-S877 PolarHBondContact O-N 2.98Å |
| 878 | L | 43.9 | Very low | 46.8 | Very low | 26 Ų | 26 | 71.3 Ų | 71.3 | 14% | 0.136 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -22.7 | -175.2 | -147.6 | 89.8 | 0 | 0 | 0 | 112.9 | L875 D880 R892 F893 L896 | L875-L878 WeakPolarHBondContact O-CB 3.39Å; L875-L878 PolarHBondContact O-N 2.9Å; L878-D880 VanDerWaalsContact C-N 3.3Å; L878-D880 PolarHBondContact O-N 2.81Å; L878-R892 HydrophobicContact CD1-CB 3.98Å; L878-R892 HydrophobicContact CD1-CG 3.82Å; L878-R892 HydrophobicContact CD2-CB 3.84Å; L878-R892 HydrophobicContact CD2-CG 3.78Å; L878-R892 HydrophobicContact CG-CG 4.47Å; L878-F893 HydrophobicContact CD2-CB 4.11Å; L878-L896 HydrophobicContact CD2-CD1 3.85Å |
| 879 | M | 45.8 | Very low | 47.7 | Very low | 15 Ų | 15 | 67.3 Ų | 67.3 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -2.2 | -174.8 | -52.7 | -139.2 | 90.5 | 0 | 0 | 113.2 | H510 N834 L836 A881 F893 | H510-M879 WeakPolarHBondContact NE2-CE 3.46Å; N834-M879 HydrophobicContact CB-SD 4.16Å; L836-M879 WeakPolarHBondContact CD1-O 3.43Å; M879-A881 PolarHBondContact O-N 3.11Å; M879-A881 VanDerWaalsContact O-N 3.12Å; M879-F893 HydrophobicContact CE-CD2 4.15Å; M879-F893 HydrophobicContact CE-CE2 3.83Å |
| 880 | D | 51.8 | Low | 48.6 | Very low | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | trans | -66.3 | 114.4 | 176.9 | -116.5 | -35.8 | 0 | 0 | 0 | 109.1 | L836 L878 A882 D883 L884 | L836-D880 VanDerWaalsContact CD2-OD1 3.3Å; L836-D880 WeakPolarHBondContact CD2-OD1 3.45Å; L878-D880 VanDerWaalsContact C-N 3.3Å; L878-D880 PolarHBondContact O-N 2.81Å; D880-A882 PolarHBondContact O-N 2.94Å; D880-D883 PolarHBondContact O-N 2.67Å; D880-L884 PolarHBondContact O-N 3.22Å; D880-L884 VanDerWaalsContact O-N 3.14Å | ||
| 881 | A | 47.2 | Very low | 49.5 | Very low | 23 Ų | 23 | 58.7 Ų | 58.7 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A493 M879 | A493-A881 HydrophobicContact CB-CB 3.81Å; M879-A881 PolarHBondContact O-N 3.11Å; M879-A881 VanDerWaalsContact O-N 3.12Å |
| 882 | A | 49.4 | Very low | 50.4 | Low | 42 Ų | 42 | 55.8 Ų | 55.8 | 35% | 0.347 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -42.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D880 L884 T885 | D880-A882 PolarHBondContact O-N 2.94Å; A882-L884 VanDerWaalsContact C-N 3.35Å; A882-T885 PolarHBondContact O-OG1 3.48Å |
| 883 | D | 52.4 | Low | 51.3 | Low | 82 Ų | 82 | 53.6 Ų | 53.6 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -76.7 | -24.8 | 179.6 | -85.4 | -18.8 | 0 | 0 | 0 | 112.3 | D880 T885 N886 A889 | D880-D883 PolarHBondContact O-N 2.67Å; D883-T885 PolarHBondContact O-N 3.48Å; D883-T885 VanDerWaalsContact O-N 3.15Å; D883-N886 VanDerWaalsContact O-CB 3.22Å; D883-N886 WeakPolarHBondContact O-CB 3.46Å; D883-N886 PolarHBondContact O-N 3.09Å; D883-N886 PolarHBondContact O-ND2 2.64Å; D883-A889 WeakPolarHBondContact O-CB 3.49Å |
| 884 | L | 51.4 | Low | 52.3 | Low | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -59.2 | -20.4 | 174.5 | -95.5 | 150 | 0 | 0 | 0 | 114.5 | L513 D880 A882 N886 | L513-L884 HydrophobicContact CD1-CD2 3.27Å; L513-L884 HydrophobicContact CD2-CD2 3.65Å; L513-L884 HydrophobicContact CG-CD2 3.99Å; D880-L884 PolarHBondContact O-N 3.22Å; D880-L884 VanDerWaalsContact O-N 3.14Å; A882-L884 VanDerWaalsContact C-N 3.35Å; L884-N886 PolarHBondContact O-N 3.02Å |
| 885 | T | 53.4 | Low | 53.3 | Low | 61 Ų | 61 | 51.6 Ų | 51.6 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -69.1 | -15.6 | 170.6 | 63.1 | 0 | 0 | 0 | 0 | 113 | I541 A882 D883 | I541-T885 HydrophobicContact CD1-CG2 4.34Å; I541-T885 HydrophobicContact CG1-CG2 4.15Å; A882-T885 PolarHBondContact O-OG1 3.48Å; D883-T885 PolarHBondContact O-N 3.48Å; D883-T885 VanDerWaalsContact O-N 3.15Å |
| 886 | N | 58.2 | Low | 54.2 | Low | 88 Ų | 88 | 49.8 Ų | 49.8 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -83.1 | 128.9 | 174.3 | -63.8 | -44.5 | 0 | 0 | 0 | 110.3 | D883 L884 A888 A889 S890 | D883-N886 VanDerWaalsContact O-CB 3.22Å; D883-N886 WeakPolarHBondContact O-CB 3.46Å; D883-N886 PolarHBondContact O-N 3.09Å; D883-N886 PolarHBondContact O-ND2 2.64Å; L884-N886 PolarHBondContact O-N 3.02Å; N886-A888 PolarHBondContact O-N 3.13Å; N886-A889 WeakPolarHBondContact O-CB 3.26Å; N886-A889 PolarHBondContact O-N 2.98Å; N886-S890 PolarHBondContact O-N 3.21Å |
| 887 | L | 53 | Low | 55.1 | Low | 83 Ų | 83 | 48.3 Ų | 48.3 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -46.5 | -40.3 | 177.2 | -166.2 | 80.1 | 0 | 0 | 0 | 112.6 | S544 A889 S890 E891 | S544-L887 VanDerWaalsContact O-CD1 3.28Å; S544-L887 WeakPolarHBondContact O-CD1 3.36Å; L887-A889 PolarHBondContact O-N 3.45Å; L887-S890 WeakPolarHBondContact O-CB 3.22Å; L887-S890 PolarHBondContact O-N 3.22Å; L887-E891 WeakPolarHBondContact O-CB 3.29Å; L887-E891 WeakPolarHBondContact O-CG 3.37Å; L887-E891 PolarHBondContact O-N 3.2Å |
| 888 | A | 57.6 | Low | 55.9 | Low | 67 Ų | 67 | 47.3 Ų | 47.3 | 55% | 0.554 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.7 | -35.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N886 R892 | N886-A888 PolarHBondContact O-N 3.13Å; A888-R892 VanDerWaalsContact O-CB 3.27Å; A888-R892 WeakPolarHBondContact O-CB 3.36Å; A888-R892 PolarHBondContact O-N 3.03Å |
| 889 | A | 59.5 | Low | 56.7 | Low | 10 Ų | 10 | 49.6 Ų | 49.6 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.7 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D883 N886 L887 R892 F893 | D883-A889 WeakPolarHBondContact O-CB 3.49Å; N886-A889 WeakPolarHBondContact O-CB 3.26Å; N886-A889 PolarHBondContact O-N 2.98Å; L887-A889 PolarHBondContact O-N 3.45Å; A889-R892 PolarHBondContact O-N 2.98Å; A889-F893 WeakPolarHBondContact O-CB 3.29Å; A889-F893 PolarHBondContact O-N 2.75Å |
| 890 | S | 59.5 | Low | 57.4 | Low | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -51.5 | 171.3 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | N545 N886 L887 R892 F893 A894 | N545-S890 PolarHBondContact OD1-OG 3.16Å; N886-S890 PolarHBondContact O-N 3.21Å; L887-S890 WeakPolarHBondContact O-CB 3.22Å; L887-S890 PolarHBondContact O-N 3.22Å; S890-R892 VanDerWaalsContact C-N 3.33Å; S890-R892 PolarHBondContact O-N 3.32Å; S890-F893 PolarHBondContact O-N 3.4Å; S890-A894 WeakPolarHBondContact O-CB 3.41Å; S890-A894 PolarHBondContact O-N 3.12Å |
| 891 | E | 63.4 | Low | 57.6 | Low | 108 Ų | 108 | 58.4 Ų | 58.4 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 177.8 | -78.7 | -178.1 | 172 | 0 | 0 | 112 | L887 A894 Q895 | L887-E891 WeakPolarHBondContact O-CB 3.29Å; L887-E891 WeakPolarHBondContact O-CG 3.37Å; L887-E891 PolarHBondContact O-N 3.2Å; E891-A894 WeakPolarHBondContact O-CB 3.43Å; E891-A894 PolarHBondContact O-N 3.17Å; E891-Q895 WeakPolarHBondContact O-CG 3.47Å; E891-Q895 PolarHBondContact O-N 2.82Å |
| 892 | R | 61.7 | Low | 58.1 | Low | 105 Ų | 105 | 58.5 Ų | 58.5 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.3 | -35.6 | -179.6 | -171.8 | 161.8 | 177.7 | 172.6 | 3.1 | 112.6 | L878 A888 A889 S890 A894 Q895 L896 | L878-R892 HydrophobicContact CD1-CB 3.98Å; L878-R892 HydrophobicContact CD1-CG 3.82Å; L878-R892 HydrophobicContact CD2-CB 3.84Å; L878-R892 HydrophobicContact CD2-CG 3.78Å; L878-R892 HydrophobicContact CG-CG 4.47Å; A888-R892 VanDerWaalsContact O-CB 3.27Å; A888-R892 WeakPolarHBondContact O-CB 3.36Å; A888-R892 PolarHBondContact O-N 3.03Å; A889-R892 PolarHBondContact O-N 2.98Å; S890-R892 VanDerWaalsContact C-N 3.33Å; S890-R892 PolarHBondContact O-N 3.32Å; R892-A894 VanDerWaalsContact C-N 3.33Å; R892-Q895 PolarHBondContact O-N 2.89Å; R892-L896 HydrophobicContact CG-CD1 4.44Å; R892-L896 WeakPolarHBondContact O-CD1 3.34Å; R892-L896 WeakPolarHBondContact O-CG 3.2Å; R892-L896 PolarHBondContact O-N 3.26Å; R892-L896 VanDerWaalsContact O-N 3.12Å |
| 893 | F | 61.5 | Low | 58.4 | Low | 10 Ų | 10 | 63.8 Ų | 63.8 | 4% | 0.044 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 170.3 | 175.8 | -90.4 | 0 | 0 | 0 | 110.4 | H510 L513 L878 M879 A889 S890 Q895 L896 M897 | H510-F893 HydrophobicContact CB-CZ 3.99Å; H510-F893 AromaticContact CD2-CE2 3.64Å; H510-F893 AromaticContact CD2-CZ 3.8Å; H510-F893 AromaticContact CG-CZ 3.96Å; L513-F893 HydrophobicContact CB-CD1 3.65Å; L513-F893 HydrophobicContact CB-CE1 3.51Å; L513-F893 HydrophobicContact CB-CZ 4.48Å; L513-F893 HydrophobicContact CD1-CB 4.32Å; L513-F893 HydrophobicContact CD1-CD1 3.31Å; L513-F893 HydrophobicContact CD1-CD2 3.99Å; L513-F893 HydrophobicContact CD1-CE1 3.45Å; L513-F893 VanDerWaalsContact CD1-CE1 3.45Å; L513-F893 HydrophobicContact CD1-CE2 4.1Å; L513-F893 HydrophobicContact CD1-CG 3.6Å; L513-F893 HydrophobicContact CD1-CZ 3.85Å; L513-F893 HydrophobicContact CG-CD1 4.01Å; L513-F893 HydrophobicContact CG-CE1 4.12Å; L878-F893 HydrophobicContact CD2-CB 4.11Å; M879-F893 HydrophobicContact CE-CD2 4.15Å; M879-F893 HydrophobicContact CE-CE2 3.83Å; A889-F893 WeakPolarHBondContact O-CB 3.29Å; A889-F893 PolarHBondContact O-N 2.75Å; S890-F893 PolarHBondContact O-N 3.4Å; F893-Q895 VanDerWaalsContact C-N 3.29Å; F893-Q895 PolarHBondContact O-N 3.41Å; F893-L896 PolarHBondContact O-N 3.38Å; F893-L896 VanDerWaalsContact O-N 3.13Å; F893-M897 HydrophobicContact CD1-CG 4.09Å; F893-M897 HydrophobicContact CE1-CG 3.56Å; F893-M897 HydrophobicContact CE1-SD 4.5Å; F893-M897 HydrophobicContact CE2-CG 4.14Å; F893-M897 HydrophobicContact CE2-SD 4.48Å; F893-M897 HydrophobicContact CZ-CE 4.23Å; F893-M897 HydrophobicContact CZ-CG 3.59Å; F893-M897 HydrophobicContact CZ-SD 3.99Å; F893-M897 PolarHBondContact O-N 3.28Å |
| 894 | A | 62.4 | Low | 58.8 | Low | 30 Ų | 30 | 66.1 Ų | 66.1 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R517 S890 E891 R892 L896 | R517-A894 PolarHBondContact NH1-O 2.88Å; S890-A894 WeakPolarHBondContact O-CB 3.41Å; S890-A894 PolarHBondContact O-N 3.12Å; E891-A894 WeakPolarHBondContact O-CB 3.43Å; E891-A894 PolarHBondContact O-N 3.17Å; R892-A894 VanDerWaalsContact C-N 3.33Å; A894-L896 VanDerWaalsContact C-N 3.34Å; A894-L896 PolarHBondContact O-N 3.05Å |
| 895 | Q | 61.9 | Low | 60 | Low | 140 Ų | 140 | 66.5 Ų | 66.5 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65 | -33.9 | 174.1 | -74.4 | 171.5 | 1.4 | 0 | 0 | 113.5 | E891 R892 F893 | E891-Q895 WeakPolarHBondContact O-CG 3.47Å; E891-Q895 PolarHBondContact O-N 2.82Å; R892-Q895 PolarHBondContact O-N 2.89Å; F893-Q895 VanDerWaalsContact C-N 3.29Å; F893-Q895 PolarHBondContact O-N 3.41Å |
| 896 | L | 59.3 | Low | 61 | Low | 22 Ų | 22 | 66.7 Ų | 66.7 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -81.1 | -24 | -178.5 | -73.3 | 159.6 | 0 | 0 | 0 | 113.7 | L862 D863 F866 L875 L878 R892 F893 A894 G898 | L862-L896 HydrophobicContact CD2-CB 4.44Å; D863-L896 PolarHBondContact N-O 2.88Å; F866-L896 HydrophobicContact CB-CD2 4.1Å; L875-L896 HydrophobicContact CD1-CD1 3.28Å; L875-L896 HydrophobicContact CD1-CD2 4.29Å; L875-L896 HydrophobicContact CD1-CG 4.32Å; L878-L896 HydrophobicContact CD2-CD1 3.85Å; R892-L896 HydrophobicContact CG-CD1 4.44Å; R892-L896 WeakPolarHBondContact O-CD1 3.34Å; R892-L896 WeakPolarHBondContact O-CG 3.2Å; R892-L896 PolarHBondContact O-N 3.26Å; R892-L896 VanDerWaalsContact O-N 3.12Å; F893-L896 PolarHBondContact O-N 3.38Å; F893-L896 VanDerWaalsContact O-N 3.13Å; A894-L896 VanDerWaalsContact C-N 3.34Å; A894-L896 PolarHBondContact O-N 3.05Å; L896-G898 PolarHBondContact O-N 3.21Å |
| 897 | M | 59.9 | Low | 62.1 | Low | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 107.1 | 175.6 | -72 | -70.7 | -82.5 | 0 | 0 | 109 | I514 R517 W844 W860 L862 F893 E899 | I514-M897 HydrophobicContact CD1-CE 4.29Å; I514-M897 HydrophobicContact CG1-CE 4.33Å; R517-M897 PolarHBondContact NH1-O 3.08Å; W844-M897 HydrophobicContact CG-CE 4.39Å; W860-M897 HydrophobicContact CB-CE 3.53Å; W860-M897 HydrophobicContact CG-CE 4.31Å; L862-M897 HydrophobicContact CD2-SD 4.26Å; L862-M897 HydrophobicContact CG-SD 3.88Å; F893-M897 HydrophobicContact CD1-CG 4.09Å; F893-M897 HydrophobicContact CE1-CG 3.56Å; F893-M897 HydrophobicContact CE1-SD 4.5Å; F893-M897 HydrophobicContact CE2-CG 4.14Å; F893-M897 HydrophobicContact CE2-SD 4.48Å; F893-M897 HydrophobicContact CZ-CE 4.23Å; F893-M897 HydrophobicContact CZ-CG 3.59Å; F893-M897 HydrophobicContact CZ-SD 3.99Å; F893-M897 PolarHBondContact O-N 3.28Å; M897-E899 PolarHBondContact O-N 2.97Å |
| 898 | G | 60.4 | Low | 63.2 | Low | 7 Ų | 7 | 61.3 Ų | 61.3 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 119.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | S861 D863 L896 | S861-G898 PolarHBondContact N-O 2.69Å; S861-G898 PolarHBondContact O-N 2.95Å; D863-G898 WeakPolarHBondContact OD2-CA 3.32Å; L896-G898 PolarHBondContact O-N 3.21Å |
| 899 | E | 62 | Low | 64 | Low | 74 Ų | 74 | 65.2 Ų | 65.2 | 35% | 0.346 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 121.8 | 170 | -176.3 | -160.1 | 130.6 | 0 | 0 | 108.3 | V858 M897 I902 | V858-E899 HydrophobicContact CG1-CG 4.33Å; M897-E899 PolarHBondContact O-N 2.97Å; E899-I902 HydrophobicContact CG-CD1 3.91Å; E899-I902 HydrophobicContact CG-CG1 3.78Å; E899-I902 WeakPolarHBondContact OE1-CB 3.36Å; E899-I902 WeakPolarHBondContact OE1-CD1 3.39Å; E899-I902 WeakPolarHBondContact OE1-CG1 3.35Å; E899-I902 WeakPolarHBondContact OE2-CD1 3.34Å |
| 900 | R | 59.1 | Low | 64.3 | Low | 107 Ų | 107 | 67.1 Ų | 67.1 | 40% | 0.404 | 33% | 0.333 | S | S | . | . | trans | -94.1 | -30.1 | -178.1 | -69.3 | -174.1 | 172 | 178.7 | -3 | 113.3 | L859 | L859-R900 PolarHBondContact O-N 3.36Å; L859-R900 VanDerWaalsContact O-N 3.15Å | ||
| 901 | W | 55.6 | Low | 64.8 | Low | 145 Ų | 145 | 75.6 Ų | 75.6 | 55% | 0.549 | 38% | 0.378 | S | S | . | . | trans | -155.7 | 109.2 | -173.3 | -47.7 | 78 | 0 | 0 | 0 | 110.2 | V858 | V858-W901 VanDerWaalsContact CA-O 3.23Å; V858-W901 WeakPolarHBondContact CA-O 3.39Å; V858-W901 WeakPolarHBondContact CB-O 3.43Å; V858-W901 VanDerWaalsContact CG1-O 3.26Å; V858-W901 WeakPolarHBondContact CG1-O 3.3Å | ||
| 902 | I | 59.3 | Low | 65.6 | Low | 26 Ų | 26 | 71.5 Ų | 71.5 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | trans | -110.6 | -22.4 | 164 | -86.1 | -178.5 | 0 | 0 | 0 | 113.4 | L518 V858 E899 D904 V905 | L518-I902 HydrophobicContact CD2-CD1 4.19Å; V858-I902 HydrophobicContact CB-CG1 4.33Å; V858-I902 HydrophobicContact CG1-CD1 4.42Å; V858-I902 HydrophobicContact CG1-CG1 3.65Å; V858-I902 HydrophobicContact CG2-CB 4.48Å; V858-I902 HydrophobicContact CG2-CG1 3.7Å; E899-I902 HydrophobicContact CG-CD1 3.91Å; E899-I902 HydrophobicContact CG-CG1 3.78Å; E899-I902 WeakPolarHBondContact OE1-CB 3.36Å; E899-I902 WeakPolarHBondContact OE1-CD1 3.39Å; E899-I902 WeakPolarHBondContact OE1-CG1 3.35Å; E899-I902 WeakPolarHBondContact OE2-CD1 3.34Å; I902-D904 PolarHBondContact O-N 2.88Å; I902-V905 WeakPolarHBondContact O-CG2 3.49Å | ||
| 903 | N | 54.2 | Low | 66.7 | Low | 152 Ų | 152 | 69 Ų | 69 | 81% | 0.813 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -5.8 | -154.2 | -65.5 | -14 | 0 | 0 | 0 | 116.9 | ||
| 904 | D | 61.9 | Low | 67.8 | Low | 132 Ų | 132 | 69.1 Ų | 69.1 | 71% | 0.706 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 24.3 | -171.7 | -60.5 | -35.7 | 0 | 0 | 0 | 114.1 | I902 N906 | I902-D904 PolarHBondContact O-N 2.88Å; D904-N906 PolarHBondContact O-N 3.37Å |
| 905 | V | 75.7 | Confident | 68.7 | Low | 15 Ų | 15 | 72.1 Ų | 72.1 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | trans | -62.5 | 121.1 | 172.6 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | W522 F643 I857 I902 W907 | W522-V905 HydrophobicContact CZ2-CG2 4.33Å; F643-V905 HydrophobicContact CE1-CG1 3.89Å; F643-V905 HydrophobicContact CZ-CG1 4.11Å; I857-V905 HydrophobicContact CB-CG2 4.4Å; I857-V905 HydrophobicContact CD1-CB 4.18Å; I857-V905 HydrophobicContact CD1-CG1 3.75Å; I857-V905 HydrophobicContact CD1-CG2 3.72Å; I857-V905 HydrophobicContact CG1-CG2 4.49Å; I902-V905 WeakPolarHBondContact O-CG2 3.49Å; V905-W907 HydrophobicContact CB-CZ2 4.08Å; V905-W907 HydrophobicContact CG1-CD2 4.04Å; V905-W907 HydrophobicContact CG1-CH2 4.08Å; V905-W907 HydrophobicContact CG1-CZ2 3.55Å; V905-W907 VanDerWaalsContact O-CD1 3.23Å; V905-W907 PolarHBondContact O-N 3.21Å | ||
| 906 | N | 75.9 | Confident | 69.7 | Low | 65 Ų | 65 | 65.5 Ų | 65.5 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | trans | -80.6 | 105.2 | -179.5 | -173.4 | -12.5 | 0 | 0 | 0 | 110.5 | Q848 Q850 D904 G908 | Q848-N906 PolarHBondContact NE2-O 3.34Å; Q850-N906 PolarHBondContact NE2-ND2 3.06Å; Q850-N906 PolarHBondContact OE1-ND2 3.04Å; D904-N906 PolarHBondContact O-N 3.37Å; N906-G908 VanDerWaalsContact C-N 3.29Å; N906-G908 PolarHBondContact O-N 2.85Å; N906-G908 PolarHBondContact OD1-N 3.37Å | ||
| 907 | W | 80.5 | Confident | 70.6 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 10% | 0.102 | 34% | 0.344 | C | S | . | . | trans | -87.2 | 10.5 | 179.8 | -62.3 | 107.4 | 0 | 0 | 0 | 114.7 | W522 W524 F603 V608 F643 V905 N909 N910 G912 P913 | W522-W907 HydrophobicContact CD2-CH2 4.07Å; W522-W907 HydrophobicContact CD2-CZ2 4.08Å; W522-W907 AromaticContact CE2-CH2 3.96Å; W522-W907 AromaticContact CE2-CZ2 3.65Å; W522-W907 HydrophobicContact CE3-CH2 4.29Å; W522-W907 HydrophobicContact CG-CZ2 4.39Å; W522-W907 HydrophobicContact CH2-CH2 4.22Å; W522-W907 HydrophobicContact CZ2-CH2 4.03Å; W522-W907 AromaticContact CZ2-CZ2 3.89Å; W522-W907 HydrophobicContact CZ2-CZ2 3.89Å; W522-W907 HydrophobicContact CZ3-CH2 4.37Å; W522-W907 AromaticContact NE1-CZ2 3.79Å; W524-W907 AromaticContact CH2-CH2 3.82Å; W524-W907 HydrophobicContact CH2-CH2 3.82Å; W524-W907 HydrophobicContact CH2-CZ3 4.07Å; W524-W907 AromaticContact CZ2-CH2 3.97Å; W524-W907 HydrophobicContact CZ2-CH2 3.97Å; W524-W907 HydrophobicContact CZ2-CZ3 4.11Å; F603-W907 WeakPolarHBondContact CE1-O 3.14Å; F603-W907 HydrophobicContact CE2-CE3 4.19Å; F603-W907 HydrophobicContact CE2-CZ3 4.48Å; F603-W907 HydrophobicContact CZ-CE3 4.07Å; V608-W907 HydrophobicContact CG2-CZ3 4.32Å; F643-W907 HydrophobicContact CZ-CZ3 4.24Å; V905-W907 HydrophobicContact CB-CZ2 4.08Å; V905-W907 HydrophobicContact CG1-CD2 4.04Å; V905-W907 HydrophobicContact CG1-CH2 4.08Å; V905-W907 HydrophobicContact CG1-CZ2 3.55Å; V905-W907 VanDerWaalsContact O-CD1 3.23Å; V905-W907 PolarHBondContact O-N 3.21Å; W907-N909 PolarHBondContact O-N 3.43Å; W907-N910 HydrophobicContact CB-CB 4.24Å; W907-N910 WeakPolarHBondContact O-CB 3.34Å; W907-N910 PolarHBondContact O-N 3.37Å; W907-N910 PolarHBondContact O-ND2 3.45Å; W907-G912 WeakPolarHBondContact CB-O 3.44Å; W907-P913 HydrophobicContact CD2-CB 4.42Å; W907-P913 HydrophobicContact CH2-CB 3.98Å; W907-P913 HydrophobicContact CZ2-CB 3.8Å; W907-P913 HydrophobicContact CZ3-CB 4.36Å | ||
| 908 | G | 76.8 | Confident | 71.1 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -126.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N906 N910 | N906-G908 VanDerWaalsContact C-N 3.29Å; N906-G908 PolarHBondContact O-N 2.85Å; N906-G908 PolarHBondContact OD1-N 3.37Å; G908-N910 VanDerWaalsContact C-N 3.26Å; G908-N910 PolarHBondContact O-N 3.47Å |
| 909 | N | 73.1 | Confident | 70.8 | Confident | 148 Ų | 148 | 74.2 Ų | 74.2 | 79% | 0.791 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 0.1 | 178.3 | -67.7 | -30.6 | 0 | 0 | 0 | 113.9 | W907 | W907-N909 PolarHBondContact O-N 3.43Š|
| 910 | N | 66.5 | Low | 70.2 | Confident | 51 Ų | 51 | 78.2 Ų | 78.2 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -88.8 | 133.7 | 178.6 | -59 | -45.9 | 0 | 0 | 0 | 110 | W907 G908 G912 | W907-N910 HydrophobicContact CB-CB 4.24Å; W907-N910 WeakPolarHBondContact O-CB 3.34Å; W907-N910 PolarHBondContact O-N 3.37Å; W907-N910 PolarHBondContact O-ND2 3.45Å; G908-N910 VanDerWaalsContact C-N 3.26Å; G908-N910 PolarHBondContact O-N 3.47Å; N910-G912 VanDerWaalsContact CB-O 3.32Å; N910-G912 WeakPolarHBondContact CB-O 3.37Å; N910-G912 PolarHBondContact O-N 2.88Å |
| 911 | D | 70.3 | Confident | 69.7 | Low | 186 Ų | 186 | 78.1 Ų | 78.1 | 100% | 0.995 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -73.7 | 44.6 | 174.7 | -73.7 | -37.5 | 0 | 0 | 0 | 112.1 | ||
| 912 | G | 80.1 | Confident | 69.5 | Low | 21 Ų | 21 | 79 Ų | 79 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | S | Bend | trans | 129.6 | -173 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W907 N910 | W907-G912 WeakPolarHBondContact CB-O 3.44Å; N910-G912 VanDerWaalsContact CB-O 3.32Å; N910-G912 WeakPolarHBondContact CB-O 3.37Å; N910-G912 PolarHBondContact O-N 2.88Å |
| 913 | P | 83.8 | Confident | 69.2 | Low | 53 Ų | 53 | 84.9 Ų | 84.9 | 34% | 0.344 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -59.2 | 134.1 | 176.5 | 24.3 | -32.1 | 0 | 0 | 0 | 110.4 | W522 W524 W907 | W522-P913 HydrophobicContact CB-CB 3.93Å; W522-P913 HydrophobicContact CB-CG 4.08Å; W522-P913 HydrophobicContact CG-CB 4.12Å; W522-P913 HydrophobicContact CG-CG 4.33Å; W524-P913 HydrophobicContact CZ2-CB 3.96Å; W907-P913 HydrophobicContact CD2-CB 4.42Å; W907-P913 HydrophobicContact CH2-CB 3.98Å; W907-P913 HydrophobicContact CZ2-CB 3.8Å; W907-P913 HydrophobicContact CZ3-CB 4.36Å |
| 914 | P | 84.7 | Confident | 69.5 | Low | 13 Ų | 13 | 78.9 Ų | 78.9 | 8% | 0.084 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 155.4 | 177 | 25.5 | -34.5 | 0 | 0 | 0 | 111.5 | W524 V608 | W524-P914 HydrophobicContact CZ2-CG 4.3Å; W524-P914 PolarHBondContact NE1-O 3.48Å; V608-P914 HydrophobicContact CG2-CG 3.66Å |
| 915 | D | 82.7 | Confident | 69.8 | Low | 92 Ų | 92 | 78.5 Ų | 78.5 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 145.4 | 171.6 | 177.6 | 43.2 | 0 | 0 | 0 | 111.1 | R578 G917 | R578-D915 WeakPolarHBondContact CB-O 3.3Å; R578-D915 WeakPolarHBondContact CG-O 3.05Å; D915-G917 PolarHBondContact O-N 2.91Å; D915-G917 VanDerWaalsContact OD2-CA 3.32Å; D915-G917 WeakPolarHBondContact OD2-CA 3.48Å; D915-G917 PolarHBondContact OD2-N 3.28Å; D915-G917 VanDerWaalsContact OD2-N 3.1Å |
| 916 | D | 82.1 | Confident | 69.7 | Low | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.011 | 45% | 0.448 | C | S | . | . | trans | -83 | -3.8 | 179.4 | 75.5 | -14 | 0 | 0 | 0 | 113.2 | W524 R525 R526 I579 S918 | W524-D916 HydrophobicContact CB-CB 4.11Å; W524-D916 HydrophobicContact CG-CB 4.09Å; R525-D916 WeakPolarHBondContact CA-OD2 3.49Å; R525-D916 PolarHBondContact N-OD2 2.99Å; R526-D916 PolarHBondContact N-OD2 2.81Å; I579-D916 HydrophobicContact CG1-CB 4.11Å; D916-S918 WeakPolarHBondContact OD1-CB 3.41Å; D916-S918 PolarHBondContact OD1-N 2.96Å; D916-S918 PolarHBondContact OD1-OG 3.46Å | ||
| 917 | G | 77.3 | Confident | 69.2 | Low | 9 Ų | 9 | 79.7 Ų | 79.7 | 9% | 0.093 | 44% | 0.44 | C | S | . | . | trans | 87.1 | 19 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T576 D915 | T576-G917 WeakPolarHBondContact O-CA 3.46Å; T576-G917 PolarHBondContact OG1-O 3.26Å; D915-G917 PolarHBondContact O-N 2.91Å; D915-G917 VanDerWaalsContact OD2-CA 3.32Å; D915-G917 WeakPolarHBondContact OD2-CA 3.48Å; D915-G917 PolarHBondContact OD2-N 3.28Å; D915-G917 VanDerWaalsContact OD2-N 3.1Å | ||
| 918 | S | 70.4 | Confident | 68.9 | Low | 34 Ų | 34 | 84.7 Ų | 84.7 | 24% | 0.238 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 126.7 | 173.6 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | D916 H920 | D916-S918 WeakPolarHBondContact OD1-CB 3.41Å; D916-S918 PolarHBondContact OD1-N 2.96Å; D916-S918 PolarHBondContact OD1-OG 3.46Å; S918-H920 PolarHBondContact O-N 2.99Å |
| 919 | E | 55.7 | Low | 68.7 | Low | 175 Ų | 175 | 83.7 Ų | 83.7 | 82% | 0.818 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 130.7 | 174.4 | -93.6 | 175.1 | 167.1 | 0 | 0 | 111.1 | ||
| 920 | H | 49.6 | Very low | 68.4 | Low | 159 Ų | 159 | 77.2 Ų | 77.2 | 74% | 0.736 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 154.6 | 173.5 | -66.2 | -26.4 | 0 | 0 | 0 | 112 | S918 D922 | S918-H920 PolarHBondContact O-N 2.99Å; H920-D922 VanDerWaalsContact C-N 3.29Å; H920-D922 PolarHBondContact O-N 3.16Å |
| 921 | D | 48.5 | Very low | 68.3 | Low | 104 Ų | 104 | 84.9 Ų | 84.9 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -58.2 | -3.1 | -149.8 | -136.8 | 12.1 | 0 | 0 | 0 | 119.7 | D923 | D921-D923 PolarHBondContact O-N 3.43Š|
| 922 | D | 50.1 | Low | 68.6 | Low | 163 Ų | 163 | 81.4 Ų | 81.4 | 87% | 0.872 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -86.6 | -3.2 | -162 | -77.9 | -27.8 | 0 | 0 | 0 | 117.2 | H920 | H920-D922 VanDerWaalsContact C-N 3.29Å; H920-D922 PolarHBondContact O-N 3.16Å |
| 923 | D | 53.5 | Low | 68.3 | Low | 151 Ų | 151 | 86.6 Ų | 86.6 | 81% | 0.807 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -112.5 | 26.9 | -178.8 | -89.1 | -28 | 0 | 0 | 0 | 115.2 | D921 V925 | D921-D923 PolarHBondContact O-N 3.43Å; D923-V925 PolarHBondContact O-N 2.81Å |
| 924 | C | 60.8 | Low | 67.2 | Low | 25 Ų | 25 | 87.5 Ų | 87.5 | 17% | 0.169 | 46% | 0.458 | C | S | . | . | trans | -81.8 | 113.5 | -169.9 | -157.1 | 0 | 0 | 0 | 0 | 116.6 | F926 G927 C937 | C924-F926 VanDerWaalsContact C-N 3.27Å; C924-F926 PolarHBondContact O-N 3.01Å; C924-G927 PolarHBondContact O-N 3.33Å; C924-C937 WeakPolarHBondContact CA-SG 3.2Å; C924-C937 HydrophobicContact CB-CB 3.77Å; C924-C937 WeakPolarHBondContact CB-SG 3.4Å; C924-C937 WeakPolarHBondContact SG-CA 3.3Å; C924-C937 WeakPolarHBondContact SG-CB 3.27Å; C924-C937 CovalentContact SG-SG 2.05Å; C924-C937 PolarHBondContact SG-SG 2.69Å | ||
| 925 | V | 68.2 | Low | 66.6 | Low | 125 Ų | 125 | 88.6 Ų | 88.6 | 76% | 0.758 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.5 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 113.5 | D923 | D923-V925 PolarHBondContact O-N 2.81Š|
| 926 | F | 74.1 | Confident | 65.7 | Low | 86 Ų | 86 | 87.8 Ų | 87.8 | 38% | 0.377 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 45.9 | 174.2 | -60.9 | -70.5 | 0 | 0 | 0 | 111.3 | C924 F928 V929 S930 S940 T941 | C924-F926 VanDerWaalsContact C-N 3.27Å; C924-F926 PolarHBondContact O-N 3.01Å; F926-F928 PolarHBondContact O-N 2.95Å; F926-V929 HydrophobicContact CB-CG2 4.34Å; F926-V929 PolarHBondContact O-N 2.86Å; F926-S930 PolarHBondContact O-N 2.75Å; F926-S940 VanDerWaalsContact CB-OG 3.29Å; F926-S940 WeakPolarHBondContact CB-OG 3.48Å; F926-S940 PolarHBondContact O-OG 2.87Å; F926-T941 HydrophobicContact CD2-CG2 3.68Å; F926-T941 HydrophobicContact CE2-CG2 4.13Å |
| 927 | G | 64.2 | Low | 64.7 | Low | 18 Ų | 18 | 89.6 Ų | 89.6 | 19% | 0.186 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -53 | -23.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C924 R931 | C924-G927 PolarHBondContact O-N 3.33Å; G927-R931 WeakPolarHBondContact O-CB 3.2Å; G927-R931 PolarHBondContact O-N 2.87Å |
| 928 | F | 75.6 | Confident | 64.3 | Low | 132 Ų | 132 | 93.1 Ų | 93.1 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.2 | -39.1 | 175.3 | 112 | -91.8 | 0 | 0 | 0 | 113.4 | F926 R931 I932 | F926-F928 PolarHBondContact O-N 2.95Å; F928-R931 PolarHBondContact O-N 3.47Å; F928-I932 HydrophobicContact CD2-CD1 3.45Å; F928-I932 VanDerWaalsContact CD2-CD1 3.45Å; F928-I932 HydrophobicContact CD2-CG1 4.32Å; F928-I932 HydrophobicContact CE2-CD1 3.44Å; F928-I932 VanDerWaalsContact CE2-CD1 3.44Å; F928-I932 WeakPolarHBondContact O-CG1 3.34Å; F928-I932 PolarHBondContact O-N 2.95Å |
| 929 | V | 72.2 | Confident | 64.4 | Low | 11 Ų | 11 | 92.2 Ų | 92.2 | 7% | 0.067 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | F926 R931 I932 F933 S940 I943 | F926-V929 HydrophobicContact CB-CG2 4.34Å; F926-V929 PolarHBondContact O-N 2.86Å; V929-R931 VanDerWaalsContact C-N 3.33Å; V929-R931 PolarHBondContact O-N 3.5Å; V929-I932 PolarHBondContact O-N 2.93Å; V929-F933 HydrophobicContact CG1-CD2 3.78Å; V929-F933 HydrophobicContact CG1-CE2 4.25Å; V929-F933 WeakPolarHBondContact O-CD2 3.34Å; V929-F933 PolarHBondContact O-N 3.11Å; V929-S940 WeakPolarHBondContact CB-OG 3.49Å; V929-I943 HydrophobicContact CG1-CB 4.31Å; V929-I943 HydrophobicContact CG1-CG2 4.13Å |
| 930 | S | 66.7 | Low | 65.3 | Low | 12 Ų | 12 | 83.9 Ų | 83.9 | 8% | 0.084 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -55.1 | -47.7 | 171.1 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | F926 I932 G934 V935 S940 | F926-S930 PolarHBondContact O-N 2.75Å; S930-I932 PolarHBondContact O-N 2.81Å; S930-G934 WeakPolarHBondContact O-CA 3.27Å; S930-G934 PolarHBondContact O-N 2.91Å; S930-V935 WeakPolarHBondContact CA-O 3.39Å; S930-V935 WeakPolarHBondContact CB-O 3.42Å; S930-V935 PolarHBondContact O-N 2.82Å; S930-V935 PolarHBondContact OG-O 3.47Å; S930-S940 PolarHBondContact N-OG 3.48Å |
| 931 | R | 65 | Low | 66.6 | Low | 212 Ų | 212 | 78.7 Ų | 78.7 | 80% | 0.8 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.5 | -38.4 | 179 | -115.6 | 178.2 | -85.6 | 160.3 | -9.6 | 114.8 | G927 F928 V929 | G927-R931 WeakPolarHBondContact O-CB 3.2Å; G927-R931 PolarHBondContact O-N 2.87Å; F928-R931 PolarHBondContact O-N 3.47Å; V929-R931 VanDerWaalsContact C-N 3.33Å; V929-R931 PolarHBondContact O-N 3.5Å |
| 932 | I | 74.6 | Confident | 68 | Low | 112 Ų | 112 | 77 Ų | 77 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -74.4 | -40.9 | -178.3 | -72.4 | 175.3 | 0 | 0 | 0 | 111.4 | F928 V929 S930 | F928-I932 HydrophobicContact CD2-CD1 3.45Å; F928-I932 VanDerWaalsContact CD2-CD1 3.45Å; F928-I932 HydrophobicContact CD2-CG1 4.32Å; F928-I932 HydrophobicContact CE2-CD1 3.44Å; F928-I932 VanDerWaalsContact CE2-CD1 3.44Å; F928-I932 WeakPolarHBondContact O-CG1 3.34Å; F928-I932 PolarHBondContact O-N 2.95Å; V929-I932 PolarHBondContact O-N 2.93Å; S930-I932 PolarHBondContact O-N 2.81Å |
| 933 | F | 74.1 | Confident | 69.4 | Low | 130 Ų | 130 | 71.9 Ų | 71.9 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -98.9 | -5.7 | -174.6 | -67.6 | -77.6 | 0 | 0 | 0 | 113.5 | V929 V935 | V929-F933 HydrophobicContact CG1-CD2 3.78Å; V929-F933 HydrophobicContact CG1-CE2 4.25Å; V929-F933 WeakPolarHBondContact O-CD2 3.34Å; V929-F933 PolarHBondContact O-N 3.11Å; F933-V935 HydrophobicContact CB-CG1 4.04Å; F933-V935 HydrophobicContact CB-CG2 4.03Å; F933-V935 PolarHBondContact O-N 2.91Å |
| 934 | G | 61.5 | Low | 70.7 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 74% | 0.742 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 31.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S930 | S930-G934 WeakPolarHBondContact O-CA 3.27Å; S930-G934 PolarHBondContact O-N 2.91Å |
| 935 | V | 72.3 | Confident | 71.7 | Confident | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | trans | -104 | 148.1 | -176.5 | -66 | 0 | 0 | 0 | 0 | 111.5 | S930 F933 I943 | S930-V935 WeakPolarHBondContact CA-O 3.39Å; S930-V935 WeakPolarHBondContact CB-O 3.42Å; S930-V935 PolarHBondContact O-N 2.82Å; S930-V935 PolarHBondContact OG-O 3.47Å; F933-V935 HydrophobicContact CB-CG1 4.04Å; F933-V935 HydrophobicContact CB-CG2 4.03Å; F933-V935 PolarHBondContact O-N 2.91Å; V935-I943 HydrophobicContact CB-CD1 4.45Å; V935-I943 HydrophobicContact CG1-CD1 3.97Å; V935-I943 HydrophobicContact CG2-CD1 3.98Å | ||
| 936 | N | 63.2 | Low | 72.5 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | trans | -61.5 | 166 | 174.2 | 60.4 | 1.6 | 0 | 0 | 0 | 111.9 | T938 G939 S940 | N936-T938 VanDerWaalsContact C-N 3.3Å; N936-T938 PolarHBondContact ND2-OG1 3.09Å; N936-T938 PolarHBondContact O-N 3.09Å; N936-T938 PolarHBondContact OD1-OG1 3.4Å; N936-G939 CarbonylContact O-C 3.59Å; N936-G939 WeakPolarHBondContact O-CA 3.47Å; N936-G939 PolarHBondContact O-N 3.17Å; N936-G939 WeakPolarHBondContact OD1-CA 3.48Å; N936-G939 PolarHBondContact OD1-N 3.36Å; N936-S940 PolarHBondContact O-N 3.28Å | ||
| 937 | C | 60.7 | Low | 72.9 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | -171.2 | -166.8 | 0 | 0 | 0 | 0 | 114.4 | C924 S940 T941 | C924-C937 WeakPolarHBondContact CA-SG 3.2Å; C924-C937 HydrophobicContact CB-CB 3.77Å; C924-C937 WeakPolarHBondContact CB-SG 3.4Å; C924-C937 WeakPolarHBondContact SG-CA 3.3Å; C924-C937 WeakPolarHBondContact SG-CB 3.27Å; C924-C937 CovalentContact SG-SG 2.05Å; C924-C937 PolarHBondContact SG-SG 2.69Å; C937-S940 PolarHBondContact O-N 3.36Å; C937-T941 PolarHBondContact O-N 3.34Å; C937-T941 PolarHBondContact O-OG1 2.91Å |
| 938 | T | 68.6 | Low | 74 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 168.9 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | N936 S940 T941 V942 | N936-T938 VanDerWaalsContact C-N 3.3Å; N936-T938 PolarHBondContact ND2-OG1 3.09Å; N936-T938 PolarHBondContact O-N 3.09Å; N936-T938 PolarHBondContact OD1-OG1 3.4Å; T938-S940 VanDerWaalsContact C-N 3.31Å; T938-S940 PolarHBondContact O-N 2.92Å; T938-T941 WeakPolarHBondContact CA-OG1 3.27Å; T938-T941 PolarHBondContact O-N 2.84Å; T938-T941 PolarHBondContact O-OG1 2.84Å; T938-V942 WeakPolarHBondContact O-CB 3.31Å; T938-V942 WeakPolarHBondContact O-CG2 3.34Å; T938-V942 PolarHBondContact O-N 2.82Å |
| 939 | G | 72.8 | Confident | 74.5 | Confident | 15 Ų | 15 | 67.6 Ų | 67.6 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N936 V942 I943 | N936-G939 CarbonylContact O-C 3.59Å; N936-G939 WeakPolarHBondContact O-CA 3.47Å; N936-G939 PolarHBondContact O-N 3.17Å; N936-G939 WeakPolarHBondContact OD1-CA 3.48Å; N936-G939 PolarHBondContact OD1-N 3.36Å; G939-V942 PolarHBondContact O-N 3.32Å; G939-I943 WeakPolarHBondContact O-CB 3.18Å; G939-I943 WeakPolarHBondContact O-CG1 3.23Å; G939-I943 PolarHBondContact O-N 2.84Å |
| 940 | S | 75.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 112.7 | F926 V929 S930 N936 C937 T938 I943 A944 | F926-S940 VanDerWaalsContact CB-OG 3.29Å; F926-S940 WeakPolarHBondContact CB-OG 3.48Å; F926-S940 PolarHBondContact O-OG 2.87Å; V929-S940 WeakPolarHBondContact CB-OG 3.49Å; S930-S940 PolarHBondContact N-OG 3.48Å; N936-S940 PolarHBondContact O-N 3.28Å; C937-S940 PolarHBondContact O-N 3.36Å; T938-S940 VanDerWaalsContact C-N 3.31Å; T938-S940 PolarHBondContact O-N 2.92Å; S940-I943 PolarHBondContact O-N 3.21Å; S940-A944 WeakPolarHBondContact O-CB 3.21Å; S940-A944 PolarHBondContact O-N 3.29Å |
| 941 | T | 75.7 | Confident | 76.1 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 30% | 0.301 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 175.4 | 40.9 | 0 | 0 | 0 | 0 | 111.8 | F926 C937 T938 A944 T945 | F926-T941 HydrophobicContact CD2-CG2 3.68Å; F926-T941 HydrophobicContact CE2-CG2 4.13Å; C937-T941 PolarHBondContact O-N 3.34Å; C937-T941 PolarHBondContact O-OG1 2.91Å; T938-T941 WeakPolarHBondContact CA-OG1 3.27Å; T938-T941 PolarHBondContact O-N 2.84Å; T938-T941 PolarHBondContact O-OG1 2.84Å; T941-A944 PolarHBondContact O-N 3Å; T941-T945 WeakPolarHBondContact O-CB 3.35Å; T941-T945 VanDerWaalsContact O-CG2 3.32Å; T941-T945 WeakPolarHBondContact O-CG2 3.33Å; T941-T945 PolarHBondContact O-N 3.29Å; T941-T945 PolarHBondContact O-OG1 3.32Å |
| 942 | V | 78.1 | Confident | 77.3 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 42% | 0.424 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111.1 | T938 G939 A944 T945 I946 | T938-V942 WeakPolarHBondContact O-CB 3.31Å; T938-V942 WeakPolarHBondContact O-CG2 3.34Å; T938-V942 PolarHBondContact O-N 2.82Å; G939-V942 PolarHBondContact O-N 3.32Å; V942-A944 PolarHBondContact O-N 3.46Å; V942-T945 WeakPolarHBondContact CA-OG1 3.39Å; V942-T945 PolarHBondContact O-N 3.46Å; V942-T945 PolarHBondContact O-OG1 3.04Å; V942-I946 HydrophobicContact CG1-CD1 3.34Å; V942-I946 HydrophobicContact CG1-CG1 3.95Å; V942-I946 WeakPolarHBondContact O-CB 3.33Å; V942-I946 WeakPolarHBondContact O-CG1 3.39Å; V942-I946 PolarHBondContact O-N 3.08Å |
| 943 | I | 80 | Confident | 77.8 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 177.7 | -72.3 | 171.7 | 0 | 0 | 0 | 111.1 | V929 V935 G939 S940 S947 | V929-I943 HydrophobicContact CG1-CB 4.31Å; V929-I943 HydrophobicContact CG1-CG2 4.13Å; V935-I943 HydrophobicContact CB-CD1 4.45Å; V935-I943 HydrophobicContact CG1-CD1 3.97Å; V935-I943 HydrophobicContact CG2-CD1 3.98Å; G939-I943 WeakPolarHBondContact O-CB 3.18Å; G939-I943 WeakPolarHBondContact O-CG1 3.23Å; G939-I943 PolarHBondContact O-N 2.84Å; S940-I943 PolarHBondContact O-N 3.21Å; I943-S947 VanDerWaalsContact O-CB 3.28Å; I943-S947 WeakPolarHBondContact O-CB 3.42Å; I943-S947 PolarHBondContact O-N 2.91Å; I943-S947 PolarHBondContact O-OG 3.26Å |
| 944 | A | 81.4 | Confident | 78.4 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S940 T941 V942 S947 I948 | S940-A944 WeakPolarHBondContact O-CB 3.21Å; S940-A944 PolarHBondContact O-N 3.29Å; T941-A944 PolarHBondContact O-N 3Å; V942-A944 PolarHBondContact O-N 3.46Å; A944-S947 PolarHBondContact O-N 3.23Å; A944-I948 WeakPolarHBondContact O-CG1 3.28Å; A944-I948 PolarHBondContact O-N 3.02Å |
| 945 | T | 81.8 | Confident | 79.7 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 45% | 0.454 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 178.3 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | T941 V942 S947 I948 V949 | T941-T945 WeakPolarHBondContact O-CB 3.35Å; T941-T945 VanDerWaalsContact O-CG2 3.32Å; T941-T945 WeakPolarHBondContact O-CG2 3.33Å; T941-T945 PolarHBondContact O-N 3.29Å; T941-T945 PolarHBondContact O-OG1 3.32Å; V942-T945 WeakPolarHBondContact CA-OG1 3.39Å; V942-T945 PolarHBondContact O-N 3.46Å; V942-T945 PolarHBondContact O-OG1 3.04Å; T945-S947 VanDerWaalsContact C-N 3.32Å; T945-S947 PolarHBondContact O-N 2.93Å; T945-I948 PolarHBondContact O-N 3.07Å; T945-V949 WeakPolarHBondContact O-CB 3.31Å; T945-V949 VanDerWaalsContact O-CG2 3.27Å; T945-V949 WeakPolarHBondContact O-CG2 3.05Å; T945-V949 PolarHBondContact O-N 3.24Å |
| 946 | I | 84.1 | Confident | 80.4 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 44% | 0.441 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 172.8 | -72.5 | 176.4 | 0 | 0 | 0 | 109.9 | V942 I948 V949 V950 | V942-I946 HydrophobicContact CG1-CD1 3.34Å; V942-I946 HydrophobicContact CG1-CG1 3.95Å; V942-I946 WeakPolarHBondContact O-CB 3.33Å; V942-I946 WeakPolarHBondContact O-CG1 3.39Å; V942-I946 PolarHBondContact O-N 3.08Å; I946-I948 VanDerWaalsContact C-N 3.29Å; I946-I948 PolarHBondContact O-N 3.18Å; I946-V949 CarbonylContact O-C 3.59Å; I946-V949 PolarHBondContact O-N 3.11Å; I946-V950 HydrophobicContact CG2-CG2 3.63Å; I946-V950 WeakPolarHBondContact O-CA 3.31Å; I946-V950 WeakPolarHBondContact O-CB 3.23Å; I946-V950 WeakPolarHBondContact O-CG2 3.45Å; I946-V950 PolarHBondContact O-N 3.07Å |
| 947 | S | 82.8 | Confident | 81.5 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 49% | 0.49 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 179.7 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | I943 A944 T945 F951 | I943-S947 VanDerWaalsContact O-CB 3.28Å; I943-S947 WeakPolarHBondContact O-CB 3.42Å; I943-S947 PolarHBondContact O-N 2.91Å; I943-S947 PolarHBondContact O-OG 3.26Å; A944-S947 PolarHBondContact O-N 3.23Å; T945-S947 VanDerWaalsContact C-N 3.32Å; T945-S947 PolarHBondContact O-N 2.93Å; S947-F951 WeakPolarHBondContact O-CB 3.42Å; S947-F951 PolarHBondContact O-N 3.07Å |
| 948 | I | 86.6 | Confident | 82.7 | Confident | 113 Ų | 113 | 72.5 Ų | 72.5 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68 | -45.8 | 175.1 | -65 | 167.1 | 0 | 0 | 0 | 110.9 | A944 T945 I946 F951 V952 | A944-I948 WeakPolarHBondContact O-CG1 3.28Å; A944-I948 PolarHBondContact O-N 3.02Å; T945-I948 PolarHBondContact O-N 3.07Å; I946-I948 VanDerWaalsContact C-N 3.29Å; I946-I948 PolarHBondContact O-N 3.18Å; I948-F951 PolarHBondContact O-N 3.09Å; I948-V952 WeakPolarHBondContact O-CG2 3.47Å; I948-V952 PolarHBondContact O-N 3.1Å |
| 949 | V | 86.4 | Confident | 83.8 | Confident | 84 Ų | 84 | 73.9 Ų | 73.9 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | T945 I946 V952 T953 | T945-V949 WeakPolarHBondContact O-CB 3.31Å; T945-V949 VanDerWaalsContact O-CG2 3.27Å; T945-V949 WeakPolarHBondContact O-CG2 3.05Å; T945-V949 PolarHBondContact O-N 3.24Å; I946-V949 CarbonylContact O-C 3.59Å; I946-V949 PolarHBondContact O-N 3.11Å; V949-V952 PolarHBondContact O-N 3.42Å; V949-T953 HydrophobicContact CG1-CG2 3.86Å; V949-T953 VanDerWaalsContact O-CB 3.26Å; V949-T953 WeakPolarHBondContact O-CB 3.48Å; V949-T953 WeakPolarHBondContact O-CG2 3.37Å; V949-T953 PolarHBondContact O-N 3.36Å; V949-T953 PolarHBondContact O-OG1 3.31Å |
| 950 | V | 85.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 78 Ų | 78 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 109.4 | I946 V952 T953 V954 | I946-V950 HydrophobicContact CG2-CG2 3.63Å; I946-V950 WeakPolarHBondContact O-CA 3.31Å; I946-V950 WeakPolarHBondContact O-CB 3.23Å; I946-V950 WeakPolarHBondContact O-CG2 3.45Å; I946-V950 PolarHBondContact O-N 3.07Å; V950-V952 VanDerWaalsContact C-N 3.34Å; V950-V952 PolarHBondContact O-N 3.37Å; V950-T953 VanDerWaalsContact CA-OG1 3.27Å; V950-T953 WeakPolarHBondContact CA-OG1 3.21Å; V950-T953 PolarHBondContact O-N 3.09Å; V950-T953 PolarHBondContact O-OG1 3.01Å; V950-V954 HydrophobicContact CG1-CG2 3.92Å; V950-V954 WeakPolarHBondContact O-CB 3.44Å; V950-V954 WeakPolarHBondContact O-CG2 3.35Å; V950-V954 PolarHBondContact O-N 3.4Å |
| 951 | F | 87.5 | Confident | 84.6 | Confident | 156 Ų | 156 | 80.3 Ų | 80.3 | 68% | 0.684 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.4 | -45.8 | 176.3 | -174.1 | -98.1 | 0 | 0 | 0 | 111.9 | S947 I948 L955 | S947-F951 WeakPolarHBondContact O-CB 3.42Å; S947-F951 PolarHBondContact O-N 3.07Å; I948-F951 PolarHBondContact O-N 3.09Å; F951-L955 WeakPolarHBondContact O-CB 3.23Å; F951-L955 PolarHBondContact O-N 3.42Å; F951-L955 VanDerWaalsContact O-N 3.14Å |
| 952 | V | 91 | Very high | 85 | Confident | 77 Ų | 77 | 81.1 Ų | 81.1 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | I948 V949 V950 L955 C956 | I948-V952 WeakPolarHBondContact O-CG2 3.47Å; I948-V952 PolarHBondContact O-N 3.1Å; V949-V952 PolarHBondContact O-N 3.42Å; V950-V952 VanDerWaalsContact C-N 3.34Å; V950-V952 PolarHBondContact O-N 3.37Å; V952-L955 WeakPolarHBondContact O-CB 3.46Å; V952-L955 PolarHBondContact O-N 3.22Å; V952-C956 WeakPolarHBondContact O-CB 3.26Å; V952-C956 PolarHBondContact O-N 3.36Å; V952-C956 PolarHBondContact O-SG 3.2Å |
| 953 | T | 84.2 | Confident | 85.3 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.1 | -35.5 | -179.2 | 54.5 | 0 | 0 | 0 | 0 | 112 | V949 V950 L955 C956 F957 | V949-T953 HydrophobicContact CG1-CG2 3.86Å; V949-T953 VanDerWaalsContact O-CB 3.26Å; V949-T953 WeakPolarHBondContact O-CB 3.48Å; V949-T953 WeakPolarHBondContact O-CG2 3.37Å; V949-T953 PolarHBondContact O-N 3.36Å; V949-T953 PolarHBondContact O-OG1 3.31Å; V950-T953 VanDerWaalsContact CA-OG1 3.27Å; V950-T953 WeakPolarHBondContact CA-OG1 3.21Å; V950-T953 PolarHBondContact O-N 3.09Å; V950-T953 PolarHBondContact O-OG1 3.01Å; T953-L955 VanDerWaalsContact C-N 3.32Å; T953-C956 CarbonylContact O-C 3.53Å; T953-C956 PolarHBondContact O-N 3.11Å; T953-F957 WeakPolarHBondContact O-CA 3.2Å; T953-F957 WeakPolarHBondContact O-CB 3.4Å; T953-F957 PolarHBondContact O-N 3.01Å |
| 954 | V | 86.2 | Confident | 85.3 | Confident | 71 Ų | 71 | 87 Ų | 87 | 43% | 0.43 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 170.9 | 169 | 0 | 0 | 0 | 0 | 109.6 | V950 F957 I958 | V950-V954 HydrophobicContact CG1-CG2 3.92Å; V950-V954 WeakPolarHBondContact O-CB 3.44Å; V950-V954 WeakPolarHBondContact O-CG2 3.35Å; V950-V954 PolarHBondContact O-N 3.4Å; V954-F957 PolarHBondContact O-N 3.11Å; V954-I958 HydrophobicContact CG1-CD1 3.79Å; V954-I958 HydrophobicContact CG1-CG1 4.37Å; V954-I958 WeakPolarHBondContact O-CB 3.38Å; V954-I958 WeakPolarHBondContact O-CG1 3.37Å; V954-I958 PolarHBondContact O-N 3.1Å |
| 955 | L | 89.5 | Confident | 85.2 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 173.1 | -163.6 | 81.1 | 0 | 0 | 0 | 111.2 | F951 V952 T953 F957 I958 L959 | F951-L955 WeakPolarHBondContact O-CB 3.23Å; F951-L955 PolarHBondContact O-N 3.42Å; F951-L955 VanDerWaalsContact O-N 3.14Å; V952-L955 WeakPolarHBondContact O-CB 3.46Å; V952-L955 PolarHBondContact O-N 3.22Å; T953-L955 VanDerWaalsContact C-N 3.32Å; L955-F957 PolarHBondContact O-N 3.03Å; L955-I958 PolarHBondContact O-N 2.91Å; L955-L959 VanDerWaalsContact O-CG 3.29Å; L955-L959 WeakPolarHBondContact O-CG 3.45Å; L955-L959 PolarHBondContact O-N 3.14Å |
| 956 | C | 88 | Confident | 85.1 | Confident | 72 Ų | 72 | 99.2 Ų | 99.2 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.7 | -72.1 | 0 | 0 | 0 | 0 | 113.2 | V952 T953 L959 F960 | V952-C956 WeakPolarHBondContact O-CB 3.26Å; V952-C956 PolarHBondContact O-N 3.36Å; V952-C956 PolarHBondContact O-SG 3.2Å; T953-C956 CarbonylContact O-C 3.53Å; T953-C956 PolarHBondContact O-N 3.11Å; C956-L959 CarbonylContact O-C 3.54Å; C956-L959 PolarHBondContact O-N 3.36Å; C956-F960 VanDerWaalsContact O-CB 3.29Å; C956-F960 WeakPolarHBondContact O-CB 3.46Å; C956-F960 PolarHBondContact O-N 3.26Å |
| 957 | F | 85.9 | Confident | 84.8 | Confident | 88 Ų | 88 | 100.1 Ų | 100.1 | 39% | 0.386 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.3 | -36.6 | -179.5 | -176.9 | -114 | 0 | 0 | 0 | 111.2 | T953 V954 L955 L959 F960 I961 | T953-F957 WeakPolarHBondContact O-CA 3.2Å; T953-F957 WeakPolarHBondContact O-CB 3.4Å; T953-F957 PolarHBondContact O-N 3.01Å; V954-F957 PolarHBondContact O-N 3.11Å; L955-F957 PolarHBondContact O-N 3.03Å; F957-L959 VanDerWaalsContact C-N 3.33Å; F957-F960 CarbonylContact O-C 3.45Å; F957-F960 PolarHBondContact O-N 3.29Å; F957-I961 HydrophobicContact CD1-CD1 3.46Å; F957-I961 VanDerWaalsContact CD1-CD1 3.46Å; F957-I961 HydrophobicContact CD1-CG1 4.18Å; F957-I961 HydrophobicContact CD2-CD1 4.5Å; F957-I961 HydrophobicContact CD2-CG1 4.39Å; F957-I961 HydrophobicContact CE1-CD1 3.13Å; F957-I961 HydrophobicContact CE1-CG1 3.95Å; F957-I961 HydrophobicContact CE2-CD1 4.22Å; F957-I961 HydrophobicContact CE2-CG1 4.14Å; F957-I961 HydrophobicContact CG-CD1 4.16Å; F957-I961 HydrophobicContact CG-CG1 4.42Å; F957-I961 HydrophobicContact CZ-CD1 3.56Å; F957-I961 HydrophobicContact CZ-CG1 3.91Å; F957-I961 WeakPolarHBondContact O-CB 3.11Å; F957-I961 VanDerWaalsContact O-CG1 3.26Å; F957-I961 WeakPolarHBondContact O-CG1 2.98Å; F957-I961 PolarHBondContact O-N 3.12Å |
| 958 | I | 86.1 | Confident | 84.5 | Confident | 96 Ų | 96 | 100.3 Ų | 100.3 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 169 | -70.1 | 167.5 | 0 | 0 | 0 | 109.2 | V954 L955 F960 I961 V962 | V954-I958 HydrophobicContact CG1-CD1 3.79Å; V954-I958 HydrophobicContact CG1-CG1 4.37Å; V954-I958 WeakPolarHBondContact O-CB 3.38Å; V954-I958 WeakPolarHBondContact O-CG1 3.37Å; V954-I958 PolarHBondContact O-N 3.1Å; L955-I958 PolarHBondContact O-N 2.91Å; I958-F960 PolarHBondContact O-N 2.93Å; I958-I961 PolarHBondContact O-N 3.41Å; I958-V962 WeakPolarHBondContact O-CB 3.44Å; I958-V962 VanDerWaalsContact O-CG2 3.28Å; I958-V962 WeakPolarHBondContact O-CG2 3.35Å; I958-V962 PolarHBondContact O-N 3.07Å |
| 959 | L | 90 | Very high | 83.9 | Confident | 112 Ų | 112 | 101.9 Ų | 101.9 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 175 | -69 | 171.7 | 0 | 0 | 0 | 112.1 | L955 C956 F957 V962 Y963 | L955-L959 VanDerWaalsContact O-CG 3.29Å; L955-L959 WeakPolarHBondContact O-CG 3.45Å; L955-L959 PolarHBondContact O-N 3.14Å; C956-L959 CarbonylContact O-C 3.54Å; C956-L959 PolarHBondContact O-N 3.36Å; F957-L959 VanDerWaalsContact C-N 3.33Å; L959-V962 PolarHBondContact O-N 3.35Å; L959-Y963 WeakPolarHBondContact O-CB 3.38Å; L959-Y963 PolarHBondContact O-N 2.92Å |
| 960 | F | 84.2 | Confident | 83.3 | Confident | 102 Ų | 102 | 104.7 Ų | 104.7 | 45% | 0.447 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 176.6 | 179.6 | -97.8 | 0 | 0 | 0 | 112.1 | C956 F957 I958 V962 Y963 Y964 | C956-F960 VanDerWaalsContact O-CB 3.29Å; C956-F960 WeakPolarHBondContact O-CB 3.46Å; C956-F960 PolarHBondContact O-N 3.26Å; F957-F960 CarbonylContact O-C 3.45Å; F957-F960 PolarHBondContact O-N 3.29Å; I958-F960 PolarHBondContact O-N 2.93Å; F960-V962 VanDerWaalsContact C-N 3.33Å; F960-Y963 HydrophobicContact CD2-CD1 4.19Å; F960-Y963 HydrophobicContact CE2-CD1 4.34Å; F960-Y963 CarbonylContact O-C 3.52Å; F960-Y963 PolarHBondContact O-N 2.9Å; F960-Y964 HydrophobicContact CE1-CD2 4.01Å; F960-Y964 HydrophobicContact CE1-CG 4.15Å; F960-Y964 HydrophobicContact CE2-CD2 4.26Å; F960-Y964 AromaticContact CZ-CD2 3.58Å; F960-Y964 HydrophobicContact CZ-CD2 3.58Å; F960-Y964 HydrophobicContact CZ-CE2 4.25Å; F960-Y964 HydrophobicContact CZ-CG 4.17Å; F960-Y964 WeakPolarHBondContact O-CA 3.41Å; F960-Y964 WeakPolarHBondContact O-CB 3.45Å; F960-Y964 PolarHBondContact O-N 2.97Å |
| 961 | I | 81.4 | Confident | 82.7 | Confident | 49 Ų | 49 | 104.6 Ų | 104.6 | 25% | 0.251 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 173.5 | -75 | 167.7 | 0 | 0 | 0 | 109 | F957 I958 Y963 Y964 R965 | F957-I961 HydrophobicContact CD1-CD1 3.46Å; F957-I961 VanDerWaalsContact CD1-CD1 3.46Å; F957-I961 HydrophobicContact CD1-CG1 4.18Å; F957-I961 HydrophobicContact CD2-CD1 4.5Å; F957-I961 HydrophobicContact CD2-CG1 4.39Å; F957-I961 HydrophobicContact CE1-CD1 3.13Å; F957-I961 HydrophobicContact CE1-CG1 3.95Å; F957-I961 HydrophobicContact CE2-CD1 4.22Å; F957-I961 HydrophobicContact CE2-CG1 4.14Å; F957-I961 HydrophobicContact CG-CD1 4.16Å; F957-I961 HydrophobicContact CG-CG1 4.42Å; F957-I961 HydrophobicContact CZ-CD1 3.56Å; F957-I961 HydrophobicContact CZ-CG1 3.91Å; F957-I961 WeakPolarHBondContact O-CB 3.11Å; F957-I961 VanDerWaalsContact O-CG1 3.26Å; F957-I961 WeakPolarHBondContact O-CG1 2.98Å; F957-I961 PolarHBondContact O-N 3.12Å; I958-I961 PolarHBondContact O-N 3.41Å; I961-Y963 VanDerWaalsContact C-N 3.34Å; I961-Y964 PolarHBondContact O-N 3.31Å; I961-R965 HydrophobicContact CG2-CG 3.97Å; I961-R965 WeakPolarHBondContact O-CA 3.4Å; I961-R965 WeakPolarHBondContact O-CB 3.39Å; I961-R965 WeakPolarHBondContact O-CG 3.38Å; I961-R965 PolarHBondContact O-N 3.48Å |
| 962 | V | 84.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 102.9 Ų | 102.9 | 40% | 0.4 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | I958 L959 F960 R966 | I958-V962 WeakPolarHBondContact O-CB 3.44Å; I958-V962 VanDerWaalsContact O-CG2 3.28Å; I958-V962 WeakPolarHBondContact O-CG2 3.35Å; I958-V962 PolarHBondContact O-N 3.07Å; L959-V962 PolarHBondContact O-N 3.35Å; F960-V962 VanDerWaalsContact C-N 3.33Å; V962-R966 VanDerWaalsContact O-CB 3.3Å; V962-R966 WeakPolarHBondContact O-CB 3.23Å; V962-R966 WeakPolarHBondContact O-CG 3.39Å; V962-R966 PolarHBondContact O-N 3.48Å |
| 963 | Y | 84.8 | Confident | 81 | Confident | 128 Ų | 128 | 104.3 Ų | 104.3 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 175.4 | 167.7 | -104 | 0 | 0 | 0 | 112.9 | L959 F960 I961 R966 K967 | L959-Y963 WeakPolarHBondContact O-CB 3.38Å; L959-Y963 PolarHBondContact O-N 2.92Å; F960-Y963 HydrophobicContact CD2-CD1 4.19Å; F960-Y963 HydrophobicContact CE2-CD1 4.34Å; F960-Y963 CarbonylContact O-C 3.52Å; F960-Y963 PolarHBondContact O-N 2.9Å; I961-Y963 VanDerWaalsContact C-N 3.34Å; Y963-R966 CarbonylContact O-C 3.5Å; Y963-R966 WeakPolarHBondContact O-CB 3.22Å; Y963-R966 PolarHBondContact O-N 3.13Å; Y963-K967 HydrophobicContact CE1-CD 4.23Å; Y963-K967 WeakPolarHBondContact O-CB 3.4Å; Y963-K967 PolarHBondContact O-N 3.3Å |
| 964 | Y | 79 | Confident | 80.6 | Confident | 119 Ų | 119 | 107.9 Ų | 107.9 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.6 | -40.3 | -177.3 | -160.9 | -94.5 | 0 | 0 | 0 | 110.5 | F960 I961 R966 K967 L968 | F960-Y964 HydrophobicContact CE1-CD2 4.01Å; F960-Y964 HydrophobicContact CE1-CG 4.15Å; F960-Y964 HydrophobicContact CE2-CD2 4.26Å; F960-Y964 AromaticContact CZ-CD2 3.58Å; F960-Y964 HydrophobicContact CZ-CD2 3.58Å; F960-Y964 HydrophobicContact CZ-CE2 4.25Å; F960-Y964 HydrophobicContact CZ-CG 4.17Å; F960-Y964 WeakPolarHBondContact O-CA 3.41Å; F960-Y964 WeakPolarHBondContact O-CB 3.45Å; F960-Y964 PolarHBondContact O-N 2.97Å; I961-Y964 PolarHBondContact O-N 3.31Å; Y964-R966 VanDerWaalsContact C-N 3.3Å; Y964-R966 PolarHBondContact O-N 2.95Å; Y964-K967 CarbonylContact O-C 3.59Å; Y964-K967 PolarHBondContact O-N 3.37Å; Y964-K967 VanDerWaalsContact O-N 3.15Å; Y964-L968 HydrophobicContact CD1-CD1 3.86Å; Y964-L968 HydrophobicContact CE1-CD1 3.33Å; Y964-L968 WeakPolarHBondContact O-CB 3.46Å; Y964-L968 PolarHBondContact O-N 3.48Å |
| 965 | R | 80 | Confident | 80.1 | Confident | 177 Ų | 177 | 108.5 Ų | 108.5 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 169.1 | -74.7 | -179.9 | 175.1 | 178.3 | -0.6 | 110.8 | I961 K969 | I961-R965 HydrophobicContact CG2-CG 3.97Å; I961-R965 WeakPolarHBondContact O-CA 3.4Å; I961-R965 WeakPolarHBondContact O-CB 3.39Å; I961-R965 WeakPolarHBondContact O-CG 3.38Å; I961-R965 PolarHBondContact O-N 3.48Å; R965-K969 WeakPolarHBondContact O-CB 3.34Å; R965-K969 WeakPolarHBondContact O-CG 3.04Å; R965-K969 PolarHBondContact O-N 2.78Å |
| 966 | R | 80.4 | Confident | 79.5 | Confident | 174 Ų | 174 | 108.6 Ų | 108.6 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 172.2 | -77.4 | 174.2 | 175.1 | -176.2 | -0 | 111.5 | V962 Y963 Y964 K970 | V962-R966 VanDerWaalsContact O-CB 3.3Å; V962-R966 WeakPolarHBondContact O-CB 3.23Å; V962-R966 WeakPolarHBondContact O-CG 3.39Å; V962-R966 PolarHBondContact O-N 3.48Å; Y963-R966 CarbonylContact O-C 3.5Å; Y963-R966 WeakPolarHBondContact O-CB 3.22Å; Y963-R966 PolarHBondContact O-N 3.13Å; Y964-R966 VanDerWaalsContact C-N 3.3Å; Y964-R966 PolarHBondContact O-N 2.95Å; R966-K970 WeakPolarHBondContact O-CG 3.25Å; R966-K970 PolarHBondContact O-N 3Å |
| 967 | K | 77.9 | Confident | 79.2 | Confident | 104 Ų | 104 | 110 Ų | 110 | 45% | 0.452 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -40.9 | 179.2 | -169.9 | 172.8 | -177.8 | 174.9 | 0 | 112.4 | Y963 Y964 K970 T971 | Y963-K967 HydrophobicContact CE1-CD 4.23Å; Y963-K967 WeakPolarHBondContact O-CB 3.4Å; Y963-K967 PolarHBondContact O-N 3.3Å; Y964-K967 CarbonylContact O-C 3.59Å; Y964-K967 PolarHBondContact O-N 3.37Å; Y964-K967 VanDerWaalsContact O-N 3.15Å; K967-K970 CarbonylContact O-C 3.54Å; K967-K970 WeakPolarHBondContact O-CA 3.23Å; K967-K970 WeakPolarHBondContact O-CB 3.31Å; K967-K970 PolarHBondContact O-N 2.94Å; K967-K970 VanDerWaalsContact O-N 3.13Å; K967-T971 PolarHBondContact O-N 3.43Å; K967-T971 PolarHBondContact O-OG1 3.13Å; K967-T971 VanDerWaalsContact O-OG1 3.11Å |
| 968 | L | 74.9 | Confident | 79.1 | Confident | 75 Ų | 75 | 108.9 Ų | 108.9 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -40.9 | 178.4 | -149.2 | 128.9 | 0 | 0 | 0 | 110.4 | Y964 K970 T971 Q972 | Y964-L968 HydrophobicContact CD1-CD1 3.86Å; Y964-L968 HydrophobicContact CE1-CD1 3.33Å; Y964-L968 WeakPolarHBondContact O-CB 3.46Å; Y964-L968 PolarHBondContact O-N 3.48Å; L968-K970 VanDerWaalsContact C-N 3.34Å; L968-K970 PolarHBondContact O-N 2.82Å; L968-T971 PolarHBondContact O-N 3.26Å; L968-Q972 HydrophobicContact CD2-CG 4.43Å; L968-Q972 WeakPolarHBondContact O-CB 3.23Å; L968-Q972 WeakPolarHBondContact O-CG 3.26Å; L968-Q972 PolarHBondContact O-N 3.38Å |
| 969 | K | 74.2 | Confident | 79.1 | Confident | 145 Ų | 145 | 105.3 Ų | 105.3 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.1 | -44.3 | 167.5 | -77.4 | -177.5 | 178.2 | -173 | 0 | 111.4 | R965 L973 | R965-K969 WeakPolarHBondContact O-CB 3.34Å; R965-K969 WeakPolarHBondContact O-CG 3.04Å; R965-K969 PolarHBondContact O-N 2.78Å; K969-L973 WeakPolarHBondContact O-CB 3.4Å; K969-L973 WeakPolarHBondContact O-CD1 3.48Å; K969-L973 WeakPolarHBondContact O-CG 3.11Å; K969-L973 PolarHBondContact O-N 3.07Å |
| 970 | K | 73.7 | Confident | 78.9 | Confident | 144 Ų | 144 | 103.4 Ų | 103.4 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 174.6 | -74.4 | 179.4 | 179 | -172.9 | 0 | 112.6 | R966 K967 L968 K974 | R966-K970 WeakPolarHBondContact O-CG 3.25Å; R966-K970 PolarHBondContact O-N 3Å; K967-K970 CarbonylContact O-C 3.54Å; K967-K970 WeakPolarHBondContact O-CA 3.23Å; K967-K970 WeakPolarHBondContact O-CB 3.31Å; K967-K970 PolarHBondContact O-N 2.94Å; K967-K970 VanDerWaalsContact O-N 3.13Å; L968-K970 VanDerWaalsContact C-N 3.34Å; L968-K970 PolarHBondContact O-N 2.82Å; K970-K974 WeakPolarHBondContact O-CG 3.46Å; K970-K974 PolarHBondContact O-N 3.34Å |
| 971 | T | 72.9 | Confident | 79.1 | Confident | 68 Ų | 68 | 102.8 Ų | 102.8 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.3 | -42.6 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | K967 L968 L973 K974 I975 | K967-T971 PolarHBondContact O-N 3.43Å; K967-T971 PolarHBondContact O-OG1 3.13Å; K967-T971 VanDerWaalsContact O-OG1 3.11Å; L968-T971 PolarHBondContact O-N 3.26Å; T971-L973 VanDerWaalsContact C-N 3.31Å; T971-L973 PolarHBondContact O-N 2.93Å; T971-K974 WeakPolarHBondContact O-CB 3.42Å; T971-K974 PolarHBondContact O-N 3.29Å; T971-K974 VanDerWaalsContact O-N 3.13Å; T971-I975 HydrophobicContact CG2-CD1 4.15Å; T971-I975 WeakPolarHBondContact O-CG1 3.22Å; T971-I975 PolarHBondContact O-N 3.06Å |
| 972 | Q | 69.4 | Low | 79.4 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 56% | 0.556 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | 174.4 | -76.9 | -178.1 | -28 | 0 | 0 | 111.5 | L968 I975 R976 | L968-Q972 HydrophobicContact CD2-CG 4.43Å; L968-Q972 WeakPolarHBondContact O-CB 3.23Å; L968-Q972 WeakPolarHBondContact O-CG 3.26Å; L968-Q972 PolarHBondContact O-N 3.38Å; Q972-I975 PolarHBondContact O-N 3.26Å; Q972-R976 WeakPolarHBondContact O-CB 3.18Å; Q972-R976 PolarHBondContact O-N 3.29Å |
| 973 | L | 74.7 | Confident | 79.7 | Confident | 107 Ų | 107 | 98.3 Ų | 98.3 | 56% | 0.56 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 172.2 | -72.5 | 168 | 0 | 0 | 0 | 111.4 | K969 T971 I975 R976 Q977 | K969-L973 WeakPolarHBondContact O-CB 3.4Å; K969-L973 WeakPolarHBondContact O-CD1 3.48Å; K969-L973 WeakPolarHBondContact O-CG 3.11Å; K969-L973 PolarHBondContact O-N 3.07Å; T971-L973 VanDerWaalsContact C-N 3.31Å; T971-L973 PolarHBondContact O-N 2.93Å; L973-I975 PolarHBondContact O-N 3.21Å; L973-R976 PolarHBondContact O-N 3.28Å; L973-Q977 VanDerWaalsContact O-CB 3.25Å; L973-Q977 WeakPolarHBondContact O-CB 3.28Å; L973-Q977 PolarHBondContact O-N 2.9Å |
| 974 | K | 75 | Confident | 79.9 | Confident | 148 Ų | 148 | 97.1 Ų | 97.1 | 64% | 0.643 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63 | -35.3 | 176.5 | -76.4 | -178.5 | 178.2 | -167.5 | 0 | 114.1 | K970 T971 P978 | K970-K974 WeakPolarHBondContact O-CG 3.46Å; K970-K974 PolarHBondContact O-N 3.34Å; T971-K974 WeakPolarHBondContact O-CB 3.42Å; T971-K974 PolarHBondContact O-N 3.29Å; T971-K974 VanDerWaalsContact O-N 3.13Å; K974-P978 WeakPolarHBondContact O-CD 3.34Å |
| 975 | I | 75 | Confident | 80.5 | Confident | 84 Ų | 84 | 95.6 Ų | 95.6 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.9 | -35.2 | 176.7 | -66.8 | 167.9 | 0 | 0 | 0 | 111.1 | T971 Q972 L973 | T971-I975 HydrophobicContact CG2-CD1 4.15Å; T971-I975 WeakPolarHBondContact O-CG1 3.22Å; T971-I975 PolarHBondContact O-N 3.06Å; Q972-I975 PolarHBondContact O-N 3.26Å; L973-I975 PolarHBondContact O-N 3.21Å |
| 976 | R | 77.8 | Confident | 81 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -76.2 | -31 | 178.3 | 176.4 | 173.7 | 170.2 | 175.1 | -4.2 | 113 | Q972 L973 Y979 E980 Y1035 | Q972-R976 WeakPolarHBondContact O-CB 3.18Å; Q972-R976 PolarHBondContact O-N 3.29Å; L973-R976 PolarHBondContact O-N 3.28Å; R976-Y979 WeakPolarHBondContact O-CB 3.47Å; R976-Y979 PolarHBondContact O-N 3.15Å; R976-E980 HydrophobicContact CG-CG 3.97Å; R976-E980 IonicContact CZ-OE1 2.64Å; R976-E980 IonicContact NE-OE1 3.64Å; R976-E980 PolarHBondContact NE-OE1 2.82Å; R976-E980 IonicContact NE-OE2 2.96Å; R976-E980 IonicContact NH2-OE1 3.92Å; R976-E980 PolarHBondContact NH2-OE1 3.09Å; R976-E980 PolarHBondContact O-N 3.26Å; R976-Y1035 HydrophobicContact CB-CD1 4.4Å; R976-Y1035 HydrophobicContact CB-CE1 4.23Å; R976-Y1035 HydrophobicContact CB-CE2 4.4Å; R976-Y1035 HydrophobicContact CG-CD1 4.3Å; R976-Y1035 HydrophobicContact CG-CE1 3.78Å |
| 977 | Q | 82.3 | Confident | 81.5 | Confident | 101 Ų | 101 | 85 Ų | 85 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | -174.3 | -177.1 | 177.5 | 16.1 | 0 | 0 | 114.3 | L973 Y979 E980 N981 | L973-Q977 VanDerWaalsContact O-CB 3.25Å; L973-Q977 WeakPolarHBondContact O-CB 3.28Å; L973-Q977 PolarHBondContact O-N 2.9Å; Q977-Y979 VanDerWaalsContact C-N 3.3Å; Q977-Y979 PolarHBondContact O-N 3.48Å; Q977-E980 PolarHBondContact O-N 2.63Å; Q977-N981 WeakPolarHBondContact O-CB 3.34Å; Q977-N981 PolarHBondContact O-N 2.75Å; Q977-N981 PolarHBondContact O-ND2 2.85Å; Q977-N981 PolarHBondContact O-OD1 3.02Å |
| 978 | P | 83.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 84.8 Ų | 84.8 | 42% | 0.416 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 174.1 | -26.9 | 33.5 | 0 | 0 | 0 | 113.2 | K974 L982 T1039 | K974-P978 WeakPolarHBondContact O-CD 3.34Å; P978-L982 WeakPolarHBondContact O-CB 3.15Å; P978-L982 PolarHBondContact O-N 2.8Å; P978-L982 VanDerWaalsContact O-N 3.09Å; P978-T1039 HydrophobicContact CB-CG2 4.3Å |
| 979 | Y | 85.9 | Confident | 82.9 | Confident | 22 Ų | 22 | 83 Ų | 83 | 9% | 0.086 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63 | -47.9 | 176.6 | 163.1 | -106.4 | 0 | 0 | 0 | 111.7 | R976 Q977 L982 C983 Y1035 K1038 L1042 L1071 | R976-Y979 WeakPolarHBondContact O-CB 3.47Å; R976-Y979 PolarHBondContact O-N 3.15Å; Q977-Y979 VanDerWaalsContact C-N 3.3Å; Q977-Y979 PolarHBondContact O-N 3.48Å; Y979-L982 PolarHBondContact O-N 2.9Å; Y979-C983 WeakPolarHBondContact CE2-SG 3.32Å; Y979-C983 PolarHBondContact O-N 3.02Å; Y979-C983 PolarHBondContact O-SG 2.99Å; Y979-C983 VanDerWaalsContact O-SG 3.37Å; Y979-Y1035 AromaticContact CD1-CD1 3.6Å; Y979-Y1035 HydrophobicContact CD1-CD1 3.6Å; Y979-Y1035 AromaticContact CD1-CE1 3.66Å; Y979-Y1035 HydrophobicContact CD1-CE1 3.66Å; Y979-Y1035 HydrophobicContact CE1-CD1 4.29Å; Y979-Y1035 HydrophobicContact CE1-CE1 4.03Å; Y979-Y1035 AromaticContact CG-CD1 3.9Å; Y979-Y1035 HydrophobicContact CG-CD1 3.9Å; Y979-Y1035 HydrophobicContact CG-CE1 4.41Å; Y979-K1038 HydrophobicContact CD2-CB 3.74Å; Y979-K1038 HydrophobicContact CE2-CB 3.87Å; Y979-K1038 HydrophobicContact CE2-CD 4.13Å; Y979-L1042 HydrophobicContact CD2-CD1 3.83Å; Y979-L1042 HydrophobicContact CE2-CD1 3.71Å; Y979-L1071 HydrophobicContact CE2-CD1 3.77Å |
| 980 | E | 86.2 | Confident | 83.8 | Confident | 71 Ų | 71 | 78.3 Ų | 78.3 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 179.7 | -70 | -172.6 | 149.2 | 0 | 0 | 113 | R976 Q977 L982 C983 N984 | R976-E980 HydrophobicContact CG-CG 3.97Å; R976-E980 IonicContact CZ-OE1 2.64Å; R976-E980 IonicContact NE-OE1 3.64Å; R976-E980 PolarHBondContact NE-OE1 2.82Å; R976-E980 IonicContact NE-OE2 2.96Å; R976-E980 IonicContact NH2-OE1 3.92Å; R976-E980 PolarHBondContact NH2-OE1 3.09Å; R976-E980 PolarHBondContact O-N 3.26Å; Q977-E980 PolarHBondContact O-N 2.63Å; E980-L982 VanDerWaalsContact C-N 3.25Å; E980-L982 PolarHBondContact O-N 3.32Å; E980-C983 PolarHBondContact O-N 2.84Å; E980-N984 PolarHBondContact O-N 3.19Å; E980-N984 PolarHBondContact O-ND2 2.79Å |
| 981 | N | 88.2 | Confident | 84.7 | Confident | 89 Ų | 89 | 72.2 Ų | 72.2 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 174.7 | -71.6 | -10.1 | 0 | 0 | 0 | 110.8 | Q977 N984 E985 | Q977-N981 WeakPolarHBondContact O-CB 3.34Å; Q977-N981 PolarHBondContact O-N 2.75Å; Q977-N981 PolarHBondContact O-ND2 2.85Å; Q977-N981 PolarHBondContact O-OD1 3.02Å; N981-N984 PolarHBondContact O-N 3.36Å; N981-E985 WeakPolarHBondContact O-CB 3.35Å; N981-E985 PolarHBondContact O-N 3.47Å |
| 982 | L | 88.7 | Confident | 85.6 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.9 | -37.4 | -179.9 | -164.7 | 56.7 | 0 | 0 | 0 | 112.5 | P978 Y979 E980 N984 E985 L986 T1039 L1042 K1046 | P978-L982 WeakPolarHBondContact O-CB 3.15Å; P978-L982 PolarHBondContact O-N 2.8Å; P978-L982 VanDerWaalsContact O-N 3.09Å; Y979-L982 PolarHBondContact O-N 2.9Å; E980-L982 VanDerWaalsContact C-N 3.25Å; E980-L982 PolarHBondContact O-N 3.32Å; L982-N984 VanDerWaalsContact C-N 3.31Å; L982-N984 PolarHBondContact O-N 3.29Å; L982-E985 PolarHBondContact O-N 3.06Å; L982-L986 HydrophobicContact CD1-CD1 4.15Å; L982-L986 HydrophobicContact CD1-CG 4.37Å; L982-L986 HydrophobicContact CG-CD1 4.04Å; L982-L986 WeakPolarHBondContact O-CB 3.28Å; L982-L986 WeakPolarHBondContact O-CG 3.42Å; L982-L986 PolarHBondContact O-N 2.82Å; L982-T1039 HydrophobicContact CD2-CG2 4.22Å; L982-L1042 HydrophobicContact CB-CD1 4.49Å; L982-L1042 HydrophobicContact CD2-CB 3.4Å; L982-L1042 HydrophobicContact CG-CB 3.72Å; L982-L1042 HydrophobicContact CG-CD1 4.42Å; L982-K1046 HydrophobicContact CD1-CB 4.07Å; L982-K1046 HydrophobicContact CD1-CD 3.53Å; L982-K1046 HydrophobicContact CD1-CG 4.37Å |
| 983 | C | 89.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 168.9 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | Y979 E980 K987 L1042 L1064 | Y979-C983 WeakPolarHBondContact CE2-SG 3.32Å; Y979-C983 PolarHBondContact O-N 3.02Å; Y979-C983 PolarHBondContact O-SG 2.99Å; Y979-C983 VanDerWaalsContact O-SG 3.37Å; E980-C983 PolarHBondContact O-N 2.84Å; C983-K987 PolarHBondContact O-N 2.84Å; C983-L1042 VanDerWaalsContact SG-CD1 3.51Å; C983-L1064 HydrophobicContact CB-CD1 4.17Å; C983-L1064 HydrophobicContact CB-CD2 4.32Å; C983-L1064 VanDerWaalsContact O-CD1 3.29Å; C983-L1064 WeakPolarHBondContact O-CD1 3.3Å |
| 984 | N | 89.5 | Confident | 87.3 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.2 | -40.6 | 177.7 | -72.1 | -33.5 | 0 | 0 | 0 | 111.9 | E980 N981 L982 L986 K987 | E980-N984 PolarHBondContact O-N 3.19Å; E980-N984 PolarHBondContact O-ND2 2.79Å; N981-N984 PolarHBondContact O-N 3.36Å; L982-N984 VanDerWaalsContact C-N 3.31Å; L982-N984 PolarHBondContact O-N 3.29Å; N984-L986 VanDerWaalsContact C-N 3.32Å; N984-L986 PolarHBondContact O-N 2.97Å; N984-K987 WeakPolarHBondContact O-CB 3.25Å; N984-K987 PolarHBondContact O-N 2.8Å |
| 985 | E | 89.8 | Confident | 88.2 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 41% | 0.407 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 179.2 | -173 | 179.4 | 175.4 | 0 | 0 | 112.8 | N981 L982 K1046 R1049 | N981-E985 WeakPolarHBondContact O-CB 3.35Å; N981-E985 PolarHBondContact O-N 3.47Å; L982-E985 PolarHBondContact O-N 3.06Å; E985-K1046 WeakPolarHBondContact OE1-CE 3.37Å; E985-K1046 IonicContact OE1-NZ 3.54Å; E985-K1046 PolarHBondContact OE1-NZ 3.28Å; E985-K1046 IonicContact OE2-NZ 3.68Å; E985-K1046 PolarHBondContact OE2-NZ 3.21Å; E985-R1049 PolarHBondContact O-NH1 3.21Å |
| 986 | L | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.2 | -178.8 | -60 | 171.5 | 0 | 0 | 0 | 113.9 | L982 N984 D988 I989 L1042 A1045 K1046 I1062 | L982-L986 HydrophobicContact CD1-CD1 4.15Å; L982-L986 HydrophobicContact CD1-CG 4.37Å; L982-L986 HydrophobicContact CG-CD1 4.04Å; L982-L986 WeakPolarHBondContact O-CB 3.28Å; L982-L986 WeakPolarHBondContact O-CG 3.42Å; L982-L986 PolarHBondContact O-N 2.82Å; N984-L986 VanDerWaalsContact C-N 3.32Å; N984-L986 PolarHBondContact O-N 2.97Å; L986-D988 PolarHBondContact O-N 3.49Å; L986-D988 VanDerWaalsContact O-N 3.16Å; L986-I989 HydrophobicContact CB-CG1 4.38Å; L986-I989 HydrophobicContact CD2-CD1 4.24Å; L986-I989 WeakPolarHBondContact O-CG1 3.38Å; L986-I989 PolarHBondContact O-N 3.11Å; L986-L1042 HydrophobicContact CD1-CB 4.04Å; L986-L1042 HydrophobicContact CD1-CD2 4.23Å; L986-L1042 WeakPolarHBondContact CD1-O 3.49Å; L986-A1045 HydrophobicContact CD1-CB 4.2Å; L986-K1046 HydrophobicContact CD1-CB 4.37Å; L986-K1046 HydrophobicContact CD2-CB 3.94Å; L986-K1046 HydrophobicContact CD2-CG 4.45Å; L986-I1062 HydrophobicContact CB-CD1 3.45Å; L986-I1062 VanDerWaalsContact CB-CD1 3.45Å; L986-I1062 HydrophobicContact CD1-CD1 4.13Å; L986-I1062 HydrophobicContact CG-CD1 4.4Å |
| 987 | K | 89.9 | Confident | 89.8 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -61.7 | -24.7 | -175.8 | -171.5 | 175.3 | 180 | 179.5 | 0 | 113.4 | C983 N984 I989 D990 | C983-K987 PolarHBondContact O-N 2.84Å; N984-K987 WeakPolarHBondContact O-CB 3.25Å; N984-K987 PolarHBondContact O-N 2.8Å; K987-I989 VanDerWaalsContact C-N 3.27Å; K987-I989 PolarHBondContact O-N 3.25Å; K987-D990 WeakPolarHBondContact O-CB 3.26Å; K987-D990 PolarHBondContact O-N 3.2Å |
| 988 | D | 90 | Very high | 90.1 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 54% | 0.535 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -70.3 | -21.6 | 179.9 | 66.6 | -62.2 | 0 | 0 | 0 | 113.9 | L986 R1049 | L986-D988 PolarHBondContact O-N 3.49Å; L986-D988 VanDerWaalsContact O-N 3.16Å; D988-R1049 VanDerWaalsContact CG-CZ 3.49Å; D988-R1049 IonicContact OD1-CZ 3.51Å; D988-R1049 IonicContact OD1-NE 3.19Å; D988-R1049 IonicContact OD1-NH1 3.29Å; D988-R1049 PolarHBondContact OD1-NH1 3.3Å; D988-R1049 IonicContact OD1-NH2 3.55Å; D988-R1049 PolarHBondContact OD1-NH2 3.33Å; D988-R1049 IonicContact OD2-CZ 3.64Å; D988-R1049 IonicContact OD2-NE 3.94Å; D988-R1049 PolarHBondContact OD2-NE 2.95Å; D988-R1049 IonicContact OD2-NH2 2.7Å; D988-R1049 PolarHBondContact OD2-NH2 3.22Å |
| 989 | I | 92.2 | Very high | 90.4 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -107.4 | 13.7 | 176.7 | 59.2 | 162.5 | 0 | 0 | 0 | 112.6 | L986 K987 R1049 L1059 G1061 I1062 | L986-I989 HydrophobicContact CB-CG1 4.38Å; L986-I989 HydrophobicContact CD2-CD1 4.24Å; L986-I989 WeakPolarHBondContact O-CG1 3.38Å; L986-I989 PolarHBondContact O-N 3.11Å; K987-I989 VanDerWaalsContact C-N 3.27Å; K987-I989 PolarHBondContact O-N 3.25Å; I989-R1049 HydrophobicContact CD1-CB 4.47Å; I989-R1049 HydrophobicContact CD1-CG 4.28Å; I989-L1059 HydrophobicContact CD1-CD2 3.61Å; I989-G1061 WeakPolarHBondContact O-CA 3.28Å; I989-I1062 HydrophobicContact CD1-CD1 4.49Å; I989-I1062 HydrophobicContact CD1-CG1 4.44Å; I989-I1062 HydrophobicContact CD1-CG2 4.24Å; I989-I1062 HydrophobicContact CG1-CD1 4.28Å; I989-I1062 HydrophobicContact CG1-CG1 4.15Å; I989-I1062 PolarHBondContact O-N 3.36Å |
| 990 | D | 93.6 | Very high | 90.4 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -72.6 | 125.6 | 176.1 | -170.9 | 42.4 | 0 | 0 | 0 | 110.7 | K987 I1062 C1063 L1064 | K987-D990 WeakPolarHBondContact O-CB 3.26Å; K987-D990 PolarHBondContact O-N 3.2Å; D990-I1062 CarbonylContact C-O 3.58Å; D990-I1062 WeakPolarHBondContact CA-O 3.44Å; D990-C1063 WeakPolarHBondContact OD1-CA 3.32Å; D990-L1064 HydrophobicContact CB-CD1 4.36Å; D990-L1064 PolarHBondContact OD1-N 3.09Å |
| 991 | I | 93 | Very high | 90.2 | Very high | 15 Ų | 15 | 67.6 Ų | 67.6 | 8% | 0.077 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 125 | 177.2 | -59 | 179.5 | 0 | 0 | 0 | 107.7 | D995 I996 A1015 V1060 I1062 C1063 I1074 | I991-D995 HydrophobicContact CG2-CB 3.93Å; I991-I996 HydrophobicContact CB-CD1 4.11Å; I991-I996 HydrophobicContact CB-CG1 4.36Å; I991-I996 HydrophobicContact CG2-CD1 3.97Å; I991-I996 HydrophobicContact CG2-CG1 3.71Å; I991-A1015 HydrophobicContact CD1-CB 4.45Å; I991-V1060 HydrophobicContact CD1-CG1 4.02Å; I991-I1062 PolarHBondContact N-O 3.35Å; I991-C1063 PolarHBondContact O-SG 2.94Å; I991-C1063 VanDerWaalsContact O-SG 3.35Å; I991-I1074 HydrophobicContact CB-CD1 4.28Å; I991-I1074 HydrophobicContact CD1-CD1 4.04Å |
| 992 | P | 91 | Very high | 89.6 | Confident | 66 Ų | 66 | 67 Ų | 67 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 141.7 | 178.8 | -25.8 | 34.4 | 0 | 0 | 0 | 112 | A994 D995 | P992-A994 PolarHBondContact O-N 2.77Å; P992-A994 VanDerWaalsContact O-N 3.07Å; P992-D995 WeakPolarHBondContact O-CB 3.43Å; P992-D995 PolarHBondContact O-N 2.9Å |
| 993 | P | 90.2 | Very high | 88.6 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -56.2 | -28.7 | 178.5 | -23.8 | 29.6 | 0 | 0 | 0 | 114.5 | D995 I996 Y1065 | P993-D995 PolarHBondContact O-N 2.84Å; P993-I996 PolarHBondContact O-N 3.21Å; P993-Y1065 VanDerWaalsContact CG-O 3.23Å; P993-Y1065 WeakPolarHBondContact CG-O 3.45Å |
| 994 | A | 89.5 | Confident | 87.4 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 74% | 0.744 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -68 | -21.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P992 | P992-A994 PolarHBondContact O-N 2.77Å; P992-A994 VanDerWaalsContact O-N 3.07Å |
| 995 | D | 94.5 | Very high | 85.7 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -98 | 14.5 | -179.7 | -74.9 | -26.5 | 0 | 0 | 0 | 111.9 | I991 P992 P993 A1015 K1016 W1021 | I991-D995 HydrophobicContact CG2-CB 3.93Å; P992-D995 WeakPolarHBondContact O-CB 3.43Å; P992-D995 PolarHBondContact O-N 2.9Å; P993-D995 PolarHBondContact O-N 2.84Å; D995-A1015 CarbonylContact O-C 3.07Å; D995-A1015 WeakPolarHBondContact O-CA 3.24Å; D995-K1016 HydrophobicContact CB-CB 3.86Å; D995-K1016 PolarHBondContact O-N 3.16Å; D995-K1016 WeakPolarHBondContact OD1-CD 3.39Å; D995-W1021 VanDerWaalsContact O-CZ3 3.3Å; D995-W1021 WeakPolarHBondContact O-CZ3 3.49Å |
| 996 | I | 93.4 | Very high | 83.9 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.082 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.6 | -180 | -57.3 | 161.5 | 0 | 0 | 0 | 109.1 | I991 P993 L998 C1063 Y1072 I1074 | I991-I996 HydrophobicContact CB-CD1 4.11Å; I991-I996 HydrophobicContact CB-CG1 4.36Å; I991-I996 HydrophobicContact CG2-CD1 3.97Å; I991-I996 HydrophobicContact CG2-CG1 3.71Å; P993-I996 PolarHBondContact O-N 3.21Å; I996-L998 HydrophobicContact CG2-CD2 4.18Å; I996-C1063 HydrophobicContact CD1-CB 3.56Å; I996-Y1072 HydrophobicContact CD1-CD2 4.44Å; I996-I1074 HydrophobicContact CD1-CD1 3.5Å; I996-I1074 HydrophobicContact CG1-CD1 3.99Å |
| 997 | V | 92.1 | Very high | 81.9 | Confident | 64 Ų | 64 | 75 Ų | 75 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.5 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | G1013 E1014 W1021 | V997-G1013 CarbonylContact O-C 3.35Å; V997-G1013 WeakPolarHBondContact O-CA 3.46Å; V997-E1014 PolarHBondContact N-O 3.04Å; V997-E1014 PolarHBondContact O-N 3.26Å; V997-W1021 HydrophobicContact CG2-CH2 3.81Å; V997-W1021 HydrophobicContact CG2-CZ3 3.92Å |
| 998 | L | 89.8 | Confident | 80.6 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 31% | 0.314 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125.8 | 173.6 | -60.1 | -177.7 | 0 | 0 | 0 | 110 | I996 V1026 Y1072 | I996-L998 HydrophobicContact CG2-CD2 4.18Å; L998-V1026 HydrophobicContact CD2-CB 3.67Å; L998-V1026 HydrophobicContact CD2-CG1 3.78Å; L998-V1026 HydrophobicContact CD2-CG2 3.65Å; L998-Y1072 HydrophobicContact CD1-CE2 4Å; L998-Y1072 HydrophobicContact CG-CE2 4.49Å |
| 999 | N | 88.3 | Confident | 80.1 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -145.1 | 177 | -66.2 | -32.4 | 0 | 0 | 0 | 110.3 | G1012 | N999-G1012 CarbonylContact C-O 3.46Å; N999-G1012 WeakPolarHBondContact CA-O 3.42Å; N999-G1012 WeakPolarHBondContact CB-O 3.27Å; N999-G1012 PolarHBondContact N-O 3.12Å |
| 1000 | R | 85.7 | Confident | 79.8 | Confident | 193 Ų | 193 | 66.8 Ų | 66.8 | 73% | 0.728 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 147.4 | -179.4 | 66.6 | -178 | 175.6 | -176.3 | -1.2 | 112.1 | V1002 G1012 | R1000-V1002 PolarHBondContact O-N 2.62Å; R1000-G1012 PolarHBondContact O-N 3.08Å |
| 1001 | R | 82.3 | Confident | 79.6 | Confident | 112 Ų | 112 | 67.8 Ų | 67.8 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 129.8 | 166.3 | 179.9 | -172.8 | 172.1 | 172.4 | -7.9 | 109.7 | M1009 Y1011 | R1001-M1009 HydrophobicContact CG-CE 3.95Å; R1001-Y1011 HydrophobicContact CB-CD1 4.21Å; R1001-Y1011 HydrophobicContact CB-CE1 4.09Å |
| 1002 | V | 76 | Confident | 79.5 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -30.5 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 111 | R1000 V1010 G1012 F1077 | R1000-V1002 PolarHBondContact O-N 2.62Å; V1002-V1010 PolarHBondContact N-O 2.89Å; V1002-G1012 VanDerWaalsContact CG2-N 3.25Å; V1002-F1077 HydrophobicContact CG1-CE2 4.47Å; V1002-F1077 HydrophobicContact CG2-CE2 4.11Å |
| 1003 | G | 68.2 | Low | 79.6 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1010 | G1003-V1010 PolarHBondContact N-O 3.22Å; G1003-V1010 VanDerWaalsContact N-O 3.08Å; G1003-V1010 PolarHBondContact O-N 3.41Å |
| 1004 | Q | 64 | Low | 79.9 | Confident | 129 Ų | 129 | 65.9 Ų | 65.9 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 118.4 | 168.5 | 171.1 | 176.7 | 12.2 | 0 | 0 | 107.7 | M1009 | Q1004-M1009 HydrophobicContact CB-SD 3.87Å; Q1004-M1009 HydrophobicContact CG-SD 3.82Å |
| 1005 | G | 54.4 | Low | 80.1 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -177.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1007 G1008 | G1005-F1007 VanDerWaalsContact C-N 3.27Å; G1005-F1007 PolarHBondContact O-N 3.48Å; G1005-G1008 PolarHBondContact N-O 3.07Å |
| 1006 | A | 51.5 | Low | 80 | Confident | 100 Ų | 100 | 63.1 Ų | 63.1 | 83% | 0.826 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -31.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1007 | F | 51.1 | Low | 79.6 | Confident | 84 Ų | 84 | 67.8 Ų | 67.8 | 37% | 0.368 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -3 | -173.8 | -54.6 | -73.2 | 0 | 0 | 0 | 114.4 | G1005 | G1005-F1007 VanDerWaalsContact C-N 3.27Å; G1005-F1007 PolarHBondContact O-N 3.48Å |
| 1008 | G | 62.4 | Low | 79.3 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -168.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1005 V1028 | G1005-G1008 PolarHBondContact N-O 3.07Å; G1008-V1028 WeakPolarHBondContact CA-O 3.19Å |
| 1009 | M | 79 | Confident | 79.1 | Confident | 43 Ų | 43 | 72 Ų | 72 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.7 | -171.9 | -65.2 | -74.7 | -67.1 | 0 | 0 | 110.1 | R1001 Q1004 Y1011 K1027 V1028 | R1001-M1009 HydrophobicContact CG-CE 3.95Å; Q1004-M1009 HydrophobicContact CB-SD 3.87Å; Q1004-M1009 HydrophobicContact CG-SD 3.82Å; M1009-Y1011 HydrophobicContact CB-CD2 4.27Å; M1009-Y1011 HydrophobicContact CB-CE2 3.52Å; M1009-K1027 CarbonylContact O-C 3.56Å; M1009-V1028 PolarHBondContact N-O 2.94Å; M1009-V1028 PolarHBondContact O-N 3.49Å |
| 1010 | V | 86.6 | Confident | 79.2 | Confident | 30 Ų | 30 | 78 Ų | 78 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | V1002 G1003 A1025 V1026 K1027 | V1002-V1010 PolarHBondContact N-O 2.89Å; G1003-V1010 PolarHBondContact N-O 3.22Å; G1003-V1010 VanDerWaalsContact N-O 3.08Å; G1003-V1010 PolarHBondContact O-N 3.41Å; V1010-A1025 HydrophobicContact CG1-CB 4.4Å; V1010-V1026 CarbonylContact C-O 3.55Å; V1010-V1026 WeakPolarHBondContact CA-O 3.28Å; V1010-K1027 HydrophobicContact CG2-CB 4.48Å; V1010-K1027 HydrophobicContact CG2-CG 4.21Å |
| 1011 | Y | 90 | Very high | 79.6 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144.6 | 177.2 | -65.7 | -95.5 | 0 | 0 | 0 | 109.8 | R1001 M1009 A1025 V1026 V1028 | R1001-Y1011 HydrophobicContact CB-CD1 4.21Å; R1001-Y1011 HydrophobicContact CB-CE1 4.09Å; M1009-Y1011 HydrophobicContact CB-CD2 4.27Å; M1009-Y1011 HydrophobicContact CB-CE2 3.52Å; Y1011-A1025 CarbonylContact O-C 3.53Å; Y1011-A1025 WeakPolarHBondContact O-CA 3.42Å; Y1011-V1026 PolarHBondContact N-O 2.92Å; Y1011-V1026 PolarHBondContact O-N 2.69Å; Y1011-V1028 HydrophobicContact CD2-CG2 3.82Å; Y1011-V1028 HydrophobicContact CE2-CG2 4.15Å |
| 1012 | G | 90.7 | Very high | 80.1 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 157.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | N999 R1000 V1002 V1024 | N999-G1012 CarbonylContact C-O 3.46Å; N999-G1012 WeakPolarHBondContact CA-O 3.42Å; N999-G1012 WeakPolarHBondContact CB-O 3.27Å; N999-G1012 PolarHBondContact N-O 3.12Å; R1000-G1012 PolarHBondContact O-N 3.08Å; V1002-G1012 VanDerWaalsContact CG2-N 3.25Å; G1012-V1024 CarbonylContact C-O 3.57Å; G1012-V1024 WeakPolarHBondContact CA-O 3.43Å |
| 1013 | G | 93.2 | Very high | 80.9 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | -172.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V997 V1024 | V997-G1013 CarbonylContact O-C 3.35Å; V997-G1013 WeakPolarHBondContact O-CA 3.46Å; G1013-V1024 PolarHBondContact N-O 3.4Å; G1013-V1024 PolarHBondContact O-N 3.31Å |
| 1014 | E | 95.1 | Very high | 82.2 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.6 | 170.4 | -61.5 | 179.7 | -178.3 | 0 | 0 | 108.4 | V997 W1021 E1022 | V997-E1014 PolarHBondContact N-O 3.04Å; V997-E1014 PolarHBondContact O-N 3.26Å; E1014-W1021 HydrophobicContact CB-CE3 3.65Å; E1014-W1021 HydrophobicContact CB-CZ3 4.17Å; E1014-W1021 WeakPolarHBondContact O-CZ3 3.47Å; E1014-E1022 WeakPolarHBondContact CA-O 3.4Å |
| 1015 | A | 94.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I991 D995 W1021 E1022 V1024 V1060 I1074 | I991-A1015 HydrophobicContact CD1-CB 4.45Å; D995-A1015 CarbonylContact O-C 3.07Å; D995-A1015 WeakPolarHBondContact O-CA 3.24Å; A1015-W1021 VanDerWaalsContact C-CE3 3.48Å; A1015-W1021 WeakPolarHBondContact O-CA 3.45Å; A1015-E1022 PolarHBondContact N-O 3.28Å; A1015-E1022 PolarHBondContact O-N 3.08Å; A1015-V1024 HydrophobicContact CB-CB 4.48Å; A1015-V1024 HydrophobicContact CB-CG1 3.74Å; A1015-V1024 HydrophobicContact CB-CG2 3.97Å; A1015-V1060 HydrophobicContact CB-CG1 4.41Å; A1015-I1074 HydrophobicContact CB-CG2 4.1Å |
| 1016 | K | 92.6 | Very high | 85.5 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.6 | 179.2 | -162.8 | -177.1 | -176.4 | -178.7 | 0 | 109.9 | D995 R1020 W1021 | D995-K1016 HydrophobicContact CB-CB 3.86Å; D995-K1016 PolarHBondContact O-N 3.16Å; D995-K1016 WeakPolarHBondContact OD1-CD 3.39Å; K1016-R1020 CarbonylContact C-O 3.51Å; K1016-R1020 WeakPolarHBondContact CA-O 3.4Å; K1016-W1021 HydrophobicContact CB-CD2 3.77Å; K1016-W1021 HydrophobicContact CB-CE3 3.83Å; K1016-W1021 HydrophobicContact CB-CG 4.43Å; K1016-W1021 HydrophobicContact CB-CH2 4Å; K1016-W1021 HydrophobicContact CB-CZ2 3.93Å; K1016-W1021 HydrophobicContact CB-CZ3 3.95Å; K1016-W1021 HydrophobicContact CD-CZ2 3.97Å; K1016-W1021 HydrophobicContact CG-CD2 4.12Å; K1016-W1021 HydrophobicContact CG-CG 4.38Å; K1016-W1021 HydrophobicContact CG-CZ2 4.34Å |
| 1017 | R | 84.9 | Confident | 87.4 | Confident | 115 Ų | 115 | 57.7 Ų | 57.7 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.5 | 177.4 | -173.7 | 176.6 | 161.6 | 173.8 | -6.5 | 110 | G1019 R1020 V1060 | R1017-G1019 PolarHBondContact O-N 2.85Å; R1017-G1019 VanDerWaalsContact O-N 3.09Å; R1017-R1020 PolarHBondContact N-O 3.21Å; R1017-R1020 PolarHBondContact O-N 2.87Å; R1017-R1020 VanDerWaalsContact O-O 3.12Å; R1017-V1060 PolarHBondContact NH1-O 3.4Å |
| 1018 | N | 84.4 | Confident | 89.2 | Confident | 154 Ų | 154 | 54.5 Ų | 54.5 | 82% | 0.824 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 36.4 | -177.2 | -59.6 | -16.4 | 0 | 0 | 0 | 113.1 | R1020 | N1018-R1020 VanDerWaalsContact C-N 3.32Å; N1018-R1020 PolarHBondContact O-N 2.8Å |
| 1019 | G | 85.6 | Confident | 90.4 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -5.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1017 | R1017-G1019 PolarHBondContact O-N 2.85Å; R1017-G1019 VanDerWaalsContact O-N 3.09Å |
| 1020 | R | 90.5 | Very high | 90.5 | Very high | 208 Ų | 208 | 53.7 Ų | 53.7 | 79% | 0.785 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.7 | 179.9 | -64.1 | -177 | -180 | 178.1 | -0.2 | 111.1 | K1016 R1017 N1018 | K1016-R1020 CarbonylContact C-O 3.51Å; K1016-R1020 WeakPolarHBondContact CA-O 3.4Å; R1017-R1020 PolarHBondContact N-O 3.21Å; R1017-R1020 PolarHBondContact O-N 2.87Å; R1017-R1020 VanDerWaalsContact O-O 3.12Å; N1018-R1020 VanDerWaalsContact C-N 3.32Å; N1018-R1020 PolarHBondContact O-N 2.8Å |
| 1021 | W | 93.6 | Very high | 90.1 | Very high | 111 Ų | 111 | 55.9 Ų | 55.9 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.1 | 171.6 | -70 | 98.2 | 0 | 0 | 0 | 109.8 | D995 V997 E1014 A1015 K1016 | D995-W1021 VanDerWaalsContact O-CZ3 3.3Å; D995-W1021 WeakPolarHBondContact O-CZ3 3.49Å; V997-W1021 HydrophobicContact CG2-CH2 3.81Å; V997-W1021 HydrophobicContact CG2-CZ3 3.92Å; E1014-W1021 HydrophobicContact CB-CE3 3.65Å; E1014-W1021 HydrophobicContact CB-CZ3 4.17Å; E1014-W1021 WeakPolarHBondContact O-CZ3 3.47Å; A1015-W1021 VanDerWaalsContact C-CE3 3.48Å; A1015-W1021 WeakPolarHBondContact O-CA 3.45Å; K1016-W1021 HydrophobicContact CB-CD2 3.77Å; K1016-W1021 HydrophobicContact CB-CE3 3.83Å; K1016-W1021 HydrophobicContact CB-CG 4.43Å; K1016-W1021 HydrophobicContact CB-CH2 4Å; K1016-W1021 HydrophobicContact CB-CZ2 3.93Å; K1016-W1021 HydrophobicContact CB-CZ3 3.95Å; K1016-W1021 HydrophobicContact CD-CZ2 3.97Å; K1016-W1021 HydrophobicContact CG-CD2 4.12Å; K1016-W1021 HydrophobicContact CG-CG 4.38Å; K1016-W1021 HydrophobicContact CG-CZ2 4.34Å |
| 1022 | E | 93.5 | Very high | 89.6 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.9 | 170.8 | 66.4 | 179.7 | 153.5 | 0 | 0 | 110.4 | E1014 A1015 V1024 R1058 V1060 | E1014-E1022 WeakPolarHBondContact CA-O 3.4Å; A1015-E1022 PolarHBondContact N-O 3.28Å; A1015-E1022 PolarHBondContact O-N 3.08Å; E1022-V1024 HydrophobicContact CG-CG1 4.03Å; E1022-R1058 IonicContact OE1-NH1 3.83Å; E1022-R1058 IonicContact OE2-CZ 2.73Å; E1022-R1058 IonicContact OE2-NH1 3.53Å; E1022-R1058 IonicContact OE2-NH2 3.29Å; E1022-R1058 PolarHBondContact OE2-NH2 2.71Å; E1022-V1060 HydrophobicContact CG-CG1 4.46Å; E1022-V1060 WeakPolarHBondContact OE1-CG1 3.48Å |
| 1023 | A | 94 | Very high | 89.1 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | F1077 | A1023-F1077 HydrophobicContact CB-CB 4.08Å; A1023-F1077 WeakPolarHBondContact O-CB 3.46Å; A1023-F1077 PolarHBondContact O-N 2.89Å |
| 1024 | V | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.6 | -173.1 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | G1012 G1013 A1015 E1022 V1026 V1060 I1074 M1075 | G1012-V1024 CarbonylContact C-O 3.57Å; G1012-V1024 WeakPolarHBondContact CA-O 3.43Å; G1013-V1024 PolarHBondContact N-O 3.4Å; G1013-V1024 PolarHBondContact O-N 3.31Å; A1015-V1024 HydrophobicContact CB-CB 4.48Å; A1015-V1024 HydrophobicContact CB-CG1 3.74Å; A1015-V1024 HydrophobicContact CB-CG2 3.97Å; E1022-V1024 HydrophobicContact CG-CG1 4.03Å; V1024-V1026 HydrophobicContact CG2-CG2 3.85Å; V1024-V1060 HydrophobicContact CG1-CB 4.34Å; V1024-V1060 HydrophobicContact CG1-CG1 4.11Å; V1024-V1060 HydrophobicContact CG1-CG2 4.05Å; V1024-I1074 HydrophobicContact CB-CG2 3.63Å; V1024-I1074 HydrophobicContact CG1-CG2 3.69Å; V1024-I1074 HydrophobicContact CG2-CG2 3.81Å; V1024-M1075 CarbonylContact C-O 3.39Å; V1024-M1075 WeakPolarHBondContact CA-O 3.5Å; V1024-M1075 VanDerWaalsContact CB-O 3.26Å; V1024-M1075 WeakPolarHBondContact CB-O 3.41Å |
| 1025 | A | 93.9 | Very high | 88.1 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 12% | 0.116 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V1010 Y1011 M1075 F1077 | V1010-A1025 HydrophobicContact CG1-CB 4.4Å; Y1011-A1025 CarbonylContact O-C 3.53Å; Y1011-A1025 WeakPolarHBondContact O-CA 3.42Å; A1025-M1075 HydrophobicContact CB-CE 4.4Å; A1025-M1075 PolarHBondContact N-O 2.84Å; A1025-M1075 PolarHBondContact O-N 2.88Å; A1025-F1077 HydrophobicContact CB-CD2 4.2Å |
| 1026 | V | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 108.9 | -175.5 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | L998 V1010 Y1011 V1024 V1028 Y1072 L1073 I1074 | L998-V1026 HydrophobicContact CD2-CB 3.67Å; L998-V1026 HydrophobicContact CD2-CG1 3.78Å; L998-V1026 HydrophobicContact CD2-CG2 3.65Å; V1010-V1026 CarbonylContact C-O 3.55Å; V1010-V1026 WeakPolarHBondContact CA-O 3.28Å; Y1011-V1026 PolarHBondContact N-O 2.92Å; Y1011-V1026 PolarHBondContact O-N 2.69Å; V1024-V1026 HydrophobicContact CG2-CG2 3.85Å; V1026-V1028 HydrophobicContact CG1-CG2 4.04Å; V1026-Y1072 HydrophobicContact CG1-CD1 4.37Å; V1026-Y1072 HydrophobicContact CG1-CD2 4.14Å; V1026-Y1072 HydrophobicContact CG1-CG 3.8Å; V1026-L1073 WeakPolarHBondContact CA-O 3.42Å; V1026-I1074 HydrophobicContact CG1-CG1 4.25Å; V1026-I1074 HydrophobicContact CG2-CG1 4.41Å; V1026-I1074 HydrophobicContact CG2-CG2 4.34Å |
| 1027 | K | 91.4 | Very high | 86.8 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 6% | 0.057 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130 | 170.3 | -160.2 | -177.5 | -167.8 | 175.1 | 0 | 107.6 | M1009 V1010 F1041 E1044 Y1072 L1073 M1075 D1149 | M1009-K1027 CarbonylContact O-C 3.56Å; V1010-K1027 HydrophobicContact CG2-CB 4.48Å; V1010-K1027 HydrophobicContact CG2-CG 4.21Å; K1027-F1041 HydrophobicContact CB-CE2 4.19Å; K1027-F1041 HydrophobicContact CB-CZ 4.43Å; K1027-F1041 HydrophobicContact CD-CE2 4.02Å; K1027-F1041 HydrophobicContact CG-CE2 3.95Å; K1027-F1041 WeakPolarHBondContact O-CZ 3.06Å; K1027-E1044 IonicContact NZ-OE1 2.79Å; K1027-E1044 PolarHBondContact NZ-OE1 3.16Å; K1027-E1044 IonicContact NZ-OE2 3.27Å; K1027-E1044 PolarHBondContact NZ-OE2 3.44Å; K1027-Y1072 WeakPolarHBondContact O-CA 3.33Å; K1027-L1073 HydrophobicContact CB-CB 4.29Å; K1027-L1073 PolarHBondContact N-O 3.09Å; K1027-L1073 PolarHBondContact O-N 3.25Å; K1027-M1075 HydrophobicContact CB-CE 4.41Å; K1027-D1149 IonicContact NZ-OD1 3.8Å; K1027-D1149 PolarHBondContact NZ-OD1 3.13Å; K1027-D1149 VanDerWaalsContact NZ-OD1 3.14Å |
| 1028 | V | 89.8 | Confident | 86.9 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 11% | 0.109 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.1 | -173.1 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | G1008 M1009 Y1011 V1026 H1070 Y1072 | G1008-V1028 WeakPolarHBondContact CA-O 3.19Å; M1009-V1028 PolarHBondContact N-O 2.94Å; M1009-V1028 PolarHBondContact O-N 3.49Å; Y1011-V1028 HydrophobicContact CD2-CG2 3.82Å; Y1011-V1028 HydrophobicContact CE2-CG2 4.15Å; V1026-V1028 HydrophobicContact CG1-CG2 4.04Å; V1028-H1070 HydrophobicContact CG1-CB 4.33Å; V1028-Y1072 HydrophobicContact CB-CD1 4.11Å; V1028-Y1072 HydrophobicContact CB-CE1 4.22Å; V1028-Y1072 HydrophobicContact CG1-CD1 3.8Å; V1028-Y1072 HydrophobicContact CG1-CE1 3.54Å; V1028-Y1072 HydrophobicContact CG2-CD1 3.61Å; V1028-Y1072 HydrophobicContact CG2-CE1 3.75Å; V1028-Y1072 HydrophobicContact CG2-CG 4.43Å |
| 1029 | I | 86.4 | Confident | 87 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132 | 168.9 | -168.9 | 167.8 | 0 | 0 | 0 | 110.9 | A1033 F1041 H1070 L1071 | I1029-A1033 HydrophobicContact CD1-CB 3.65Å; I1029-A1033 HydrophobicContact CG1-CB 3.55Å; I1029-F1041 HydrophobicContact CB-CD2 4.06Å; I1029-F1041 HydrophobicContact CB-CE2 4.23Å; I1029-F1041 HydrophobicContact CB-CG 4.3Å; I1029-F1041 HydrophobicContact CD1-CB 4.21Å; I1029-F1041 HydrophobicContact CG2-CB 4.33Å; I1029-F1041 HydrophobicContact CG2-CD1 3.79Å; I1029-F1041 HydrophobicContact CG2-CD2 3.99Å; I1029-F1041 HydrophobicContact CG2-CE1 4.02Å; I1029-F1041 HydrophobicContact CG2-CE2 4.19Å; I1029-F1041 HydrophobicContact CG2-CG 3.77Å; I1029-F1041 HydrophobicContact CG2-CZ 4.2Å; I1029-H1070 WeakPolarHBondContact O-CA 3.15Å; I1029-L1071 HydrophobicContact CG2-CB 3.66Å; I1029-L1071 HydrophobicContact CG2-CD1 4.12Å; I1029-L1071 HydrophobicContact CG2-CG 4.22Å; I1029-L1071 PolarHBondContact N-O 3.24Å; I1029-L1071 VanDerWaalsContact N-O 3.08Å; I1029-L1071 PolarHBondContact O-N 2.94Å; I1029-L1071 VanDerWaalsContact O-N 3.11Å |
| 1030 | G | 81.8 | Confident | 86.8 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | -75.4 | 169 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1032 A1033 H1070 | G1030-K1032 VanDerWaalsContact C-N 3.34Å; G1030-K1032 PolarHBondContact O-N 2.9Å; G1030-A1033 VanDerWaalsContact O-CB 3.25Å; G1030-A1033 WeakPolarHBondContact O-CB 3.34Å; G1030-A1033 PolarHBondContact O-N 3.36Å; G1030-H1070 VanDerWaalsContact CA-CD2 3.46Å; G1030-H1070 WeakPolarHBondContact CA-CD2 3.17Å | ||
| 1031 | N | 78.3 | Confident | 86.6 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -24.4 | -176 | 63.1 | -2.2 | 0 | 0 | 0 | 114.2 | A1033 E1068 N1069 H1070 | N1031-A1033 PolarHBondContact O-N 3Å; N1031-E1068 WeakPolarHBondContact CB-O 3.28Å; N1031-E1068 PolarHBondContact ND2-O 3.05Å; N1031-N1069 HydrophobicContact CB-CB 4.31Å; N1031-H1070 PolarHBondContact N-CD2 2.9Å |
| 1032 | K | 80 | Confident | 86.5 | Confident | 203 Ų | 203 | 43.5 Ų | 43.5 | 88% | 0.883 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -5.6 | 173 | -61.6 | -174.6 | -178.9 | -176.3 | 0 | 113.4 | G1030 | G1030-K1032 VanDerWaalsContact C-N 3.34Å; G1030-K1032 PolarHBondContact O-N 2.9Å |
| 1033 | A | 80.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 26% | 0.256 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -67.4 | 140.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1029 G1030 N1031 K1038 | I1029-A1033 HydrophobicContact CD1-CB 3.65Å; I1029-A1033 HydrophobicContact CG1-CB 3.55Å; G1030-A1033 VanDerWaalsContact O-CB 3.25Å; G1030-A1033 WeakPolarHBondContact O-CB 3.34Å; G1030-A1033 PolarHBondContact O-N 3.36Å; N1031-A1033 PolarHBondContact O-N 3Å; A1033-K1038 HydrophobicContact CB-CG 4.24Å |
| 1034 | T | 83.6 | Confident | 85.8 | Confident | 93 Ų | 93 | 40.1 Ų | 40.1 | 57% | 0.571 | 22% | 0.22 | S | C | * | . | trans | -64.9 | 158 | 175.9 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | E1036 G1037 K1038 | T1034-E1036 PolarHBondContact O-N 2.9Å; T1034-G1037 PolarHBondContact O-N 3.46Å; T1034-G1037 VanDerWaalsContact O-N 3.1Å; T1034-G1037 PolarHBondContact OG1-N 3.15Å; T1034-K1038 PolarHBondContact O-N 3.41Å | ||
| 1035 | Y | 83.1 | Confident | 85.6 | Confident | 90 Ų | 90 | 40.1 Ų | 40.1 | 35% | 0.353 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59 | -34.2 | 174.6 | -76.4 | -71.7 | 0 | 0 | 0 | 112.3 | R976 Y979 K1038 T1039 | R976-Y1035 HydrophobicContact CB-CD1 4.4Å; R976-Y1035 HydrophobicContact CB-CE1 4.23Å; R976-Y1035 HydrophobicContact CB-CE2 4.4Å; R976-Y1035 HydrophobicContact CG-CD1 4.3Å; R976-Y1035 HydrophobicContact CG-CE1 3.78Å; Y979-Y1035 AromaticContact CD1-CD1 3.6Å; Y979-Y1035 HydrophobicContact CD1-CD1 3.6Å; Y979-Y1035 AromaticContact CD1-CE1 3.66Å; Y979-Y1035 HydrophobicContact CD1-CE1 3.66Å; Y979-Y1035 HydrophobicContact CE1-CD1 4.29Å; Y979-Y1035 HydrophobicContact CE1-CE1 4.03Å; Y979-Y1035 AromaticContact CG-CD1 3.9Å; Y979-Y1035 HydrophobicContact CG-CD1 3.9Å; Y979-Y1035 HydrophobicContact CG-CE1 4.41Å; Y1035-K1038 PolarHBondContact O-N 3.07Å; Y1035-T1039 WeakPolarHBondContact O-CB 3.25Å; Y1035-T1039 PolarHBondContact O-N 3.15Å; Y1035-T1039 PolarHBondContact O-OG1 3.29Å |
| 1036 | E | 78.7 | Confident | 85.5 | Confident | 112 Ų | 112 | 43.8 Ų | 43.8 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 172.4 | -68 | 179.4 | -168.3 | 0 | 0 | 111.6 | T1034 K1038 T1039 D1040 R1169 | T1034-E1036 PolarHBondContact O-N 2.9Å; E1036-K1038 VanDerWaalsContact C-N 3.34Å; E1036-K1038 PolarHBondContact O-N 3.37Å; E1036-T1039 WeakPolarHBondContact O-CB 3.06Å; E1036-T1039 PolarHBondContact O-N 3.12Å; E1036-T1039 VanDerWaalsContact O-N 3.1Å; E1036-D1040 PolarHBondContact O-N 3.43Å; E1036-R1169 IonicContact OE2-NH2 2.66Å |
| 1037 | G | 81.5 | Confident | 85.2 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1034 T1039 F1041 | T1034-G1037 PolarHBondContact O-N 3.46Å; T1034-G1037 VanDerWaalsContact O-N 3.1Å; T1034-G1037 PolarHBondContact OG1-N 3.15Å; G1037-T1039 VanDerWaalsContact C-N 3.35Å; G1037-F1041 WeakPolarHBondContact O-CB 3.45Å; G1037-F1041 PolarHBondContact O-N 2.88Å |
| 1038 | K | 86.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -36.9 | 172.1 | -70 | -173.1 | 170.3 | -161.6 | 0 | 112.1 | Y979 A1033 T1034 Y1035 E1036 L1042 N1069 L1071 | Y979-K1038 HydrophobicContact CD2-CB 3.74Å; Y979-K1038 HydrophobicContact CE2-CB 3.87Å; Y979-K1038 HydrophobicContact CE2-CD 4.13Å; A1033-K1038 HydrophobicContact CB-CG 4.24Å; T1034-K1038 PolarHBondContact O-N 3.41Å; Y1035-K1038 PolarHBondContact O-N 3.07Å; E1036-K1038 VanDerWaalsContact C-N 3.34Å; E1036-K1038 PolarHBondContact O-N 3.37Å; K1038-L1042 WeakPolarHBondContact O-CG 3.24Å; K1038-L1042 PolarHBondContact O-N 2.75Å; K1038-N1069 PolarHBondContact NZ-ND2 2.66Å; K1038-N1069 PolarHBondContact NZ-O 3.04Å; K1038-L1071 HydrophobicContact CB-CD1 3.86Å; K1038-L1071 HydrophobicContact CD-CD1 4.01Å; K1038-L1071 HydrophobicContact CG-CD1 3.83Å |
| 1039 | T | 86.2 | Confident | 85.3 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68 | -45.3 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | P978 L982 Y1035 E1036 G1037 F1041 L1042 S1043 | P978-T1039 HydrophobicContact CB-CG2 4.3Å; L982-T1039 HydrophobicContact CD2-CG2 4.22Å; Y1035-T1039 WeakPolarHBondContact O-CB 3.25Å; Y1035-T1039 PolarHBondContact O-N 3.15Å; Y1035-T1039 PolarHBondContact O-OG1 3.29Å; E1036-T1039 WeakPolarHBondContact O-CB 3.06Å; E1036-T1039 PolarHBondContact O-N 3.12Å; E1036-T1039 VanDerWaalsContact O-N 3.1Å; G1037-T1039 VanDerWaalsContact C-N 3.35Å; T1039-F1041 VanDerWaalsContact C-N 3.34Å; T1039-F1041 PolarHBondContact O-N 2.8Å; T1039-L1042 PolarHBondContact O-N 3.11Å; T1039-S1043 WeakPolarHBondContact O-CB 3.13Å; T1039-S1043 PolarHBondContact O-N 3.11Å |
| 1040 | D | 81.6 | Confident | 85.3 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.2 | -69.8 | -31.5 | 0 | 0 | 0 | 111.1 | E1036 L1042 S1043 E1044 R1169 | E1036-D1040 PolarHBondContact O-N 3.43Å; D1040-L1042 PolarHBondContact O-N 2.94Å; D1040-S1043 WeakPolarHBondContact CA-OG 3.12Å; D1040-S1043 WeakPolarHBondContact O-CB 3.4Å; D1040-S1043 PolarHBondContact O-N 3.08Å; D1040-S1043 VanDerWaalsContact O-N 3.13Å; D1040-S1043 PolarHBondContact O-OG 3.37Å; D1040-E1044 PolarHBondContact O-N 3.41Å; D1040-R1169 IonicContact OD2-CZ 3.32Å; D1040-R1169 VanDerWaalsContact OD2-CZ 3.28Å; D1040-R1169 IonicContact OD2-NH1 3.07Å; D1040-R1169 PolarHBondContact OD2-NH1 3.37Å; D1040-R1169 IonicContact OD2-NH2 2.67Å; D1040-R1169 PolarHBondContact OD2-NH2 3.27Å |
| 1041 | F | 86.9 | Confident | 85.9 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 176.6 | -176 | -93 | 0 | 0 | 0 | 113 | K1027 I1029 G1037 T1039 S1043 E1044 A1045 L1071 L1073 | K1027-F1041 HydrophobicContact CB-CE2 4.19Å; K1027-F1041 HydrophobicContact CB-CZ 4.43Å; K1027-F1041 HydrophobicContact CD-CE2 4.02Å; K1027-F1041 HydrophobicContact CG-CE2 3.95Å; K1027-F1041 WeakPolarHBondContact O-CZ 3.06Å; I1029-F1041 HydrophobicContact CB-CD2 4.06Å; I1029-F1041 HydrophobicContact CB-CE2 4.23Å; I1029-F1041 HydrophobicContact CB-CG 4.3Å; I1029-F1041 HydrophobicContact CD1-CB 4.21Å; I1029-F1041 HydrophobicContact CG2-CB 4.33Å; I1029-F1041 HydrophobicContact CG2-CD1 3.79Å; I1029-F1041 HydrophobicContact CG2-CD2 3.99Å; I1029-F1041 HydrophobicContact CG2-CE1 4.02Å; I1029-F1041 HydrophobicContact CG2-CE2 4.19Å; I1029-F1041 HydrophobicContact CG2-CG 3.77Å; I1029-F1041 HydrophobicContact CG2-CZ 4.2Å; G1037-F1041 WeakPolarHBondContact O-CB 3.45Å; G1037-F1041 PolarHBondContact O-N 2.88Å; T1039-F1041 VanDerWaalsContact C-N 3.34Å; T1039-F1041 PolarHBondContact O-N 2.8Å; F1041-S1043 VanDerWaalsContact C-N 3.35Å; F1041-E1044 WeakPolarHBondContact O-CB 3.32Å; F1041-A1045 PolarHBondContact O-N 3.38Å; F1041-L1071 HydrophobicContact CD1-CB 4.09Å; F1041-L1071 HydrophobicContact CD1-CD1 4.5Å; F1041-L1071 HydrophobicContact CE1-CB 3.87Å; F1041-L1073 HydrophobicContact CE1-CB 3.73Å; F1041-L1073 HydrophobicContact CE2-CB 4.13Å; F1041-L1073 HydrophobicContact CZ-CB 3.37Å |
| 1042 | L | 90.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.6 | -25.8 | 175.4 | -68.9 | -178.3 | 0 | 0 | 0 | 112.4 | Y979 L982 C983 L986 K1038 T1039 D1040 E1044 A1045 K1046 I1062 L1064 L1071 | Y979-L1042 HydrophobicContact CD2-CD1 3.83Å; Y979-L1042 HydrophobicContact CE2-CD1 3.71Å; L982-L1042 HydrophobicContact CB-CD1 4.49Å; L982-L1042 HydrophobicContact CD2-CB 3.4Å; L982-L1042 HydrophobicContact CG-CB 3.72Å; L982-L1042 HydrophobicContact CG-CD1 4.42Å; C983-L1042 VanDerWaalsContact SG-CD1 3.51Å; L986-L1042 HydrophobicContact CD1-CB 4.04Å; L986-L1042 HydrophobicContact CD1-CD2 4.23Å; L986-L1042 WeakPolarHBondContact CD1-O 3.49Å; K1038-L1042 WeakPolarHBondContact O-CG 3.24Å; K1038-L1042 PolarHBondContact O-N 2.75Å; T1039-L1042 PolarHBondContact O-N 3.11Å; D1040-L1042 PolarHBondContact O-N 2.94Å; L1042-E1044 VanDerWaalsContact C-N 3.3Å; L1042-A1045 WeakPolarHBondContact O-CB 3.38Å; L1042-A1045 PolarHBondContact O-N 2.03Å; L1042-K1046 PolarHBondContact O-N 2.63Å; L1042-I1062 HydrophobicContact CD2-CD1 4.41Å; L1042-L1064 HydrophobicContact CD1-CD2 4.24Å; L1042-L1064 HydrophobicContact CD2-CD2 3.85Å; L1042-L1071 HydrophobicContact CD1-CD1 4.43Å; L1042-L1071 HydrophobicContact CD2-CD1 4.47Å; L1042-L1071 HydrophobicContact CG-CD1 4.27Å |
| 1043 | S | 86.1 | Confident | 87.4 | Confident | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | 175.5 | 78.3 | 0 | 0 | 0 | 0 | 111.2 | T1039 D1040 F1041 K1046 L1047 | T1039-S1043 WeakPolarHBondContact O-CB 3.13Å; T1039-S1043 PolarHBondContact O-N 3.11Å; D1040-S1043 WeakPolarHBondContact CA-OG 3.12Å; D1040-S1043 WeakPolarHBondContact O-CB 3.4Å; D1040-S1043 PolarHBondContact O-N 3.08Å; D1040-S1043 VanDerWaalsContact O-N 3.13Å; D1040-S1043 PolarHBondContact O-OG 3.37Å; F1041-S1043 VanDerWaalsContact C-N 3.35Å; S1043-K1046 PolarHBondContact O-N 3.4Å; S1043-L1047 WeakPolarHBondContact O-CB 3.4Å; S1043-L1047 PolarHBondContact O-N 3.09Å |
| 1044 | E | 87.7 | Confident | 88.1 | Confident | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 169.5 | -171.9 | -178.3 | 166.2 | 0 | 0 | 110.2 | K1027 D1040 F1041 L1042 K1046 L1047 M1048 L1073 F1150 | K1027-E1044 IonicContact NZ-OE1 2.79Å; K1027-E1044 PolarHBondContact NZ-OE1 3.16Å; K1027-E1044 IonicContact NZ-OE2 3.27Å; K1027-E1044 PolarHBondContact NZ-OE2 3.44Å; D1040-E1044 PolarHBondContact O-N 3.41Å; F1041-E1044 WeakPolarHBondContact O-CB 3.32Å; L1042-E1044 VanDerWaalsContact C-N 3.3Å; E1044-K1046 PolarHBondContact O-N 2.95Å; E1044-L1047 PolarHBondContact O-N 2.95Å; E1044-M1048 HydrophobicContact CG-SD 4.22Å; E1044-M1048 VanDerWaalsContact O-CG 3.3Å; E1044-M1048 WeakPolarHBondContact O-CG 3.44Å; E1044-M1048 PolarHBondContact O-N 2.79Å; E1044-L1073 HydrophobicContact CB-CD1 4.21Å; E1044-L1073 HydrophobicContact CG-CD1 4.07Å; E1044-F1150 HydrophobicContact CG-CB 4.04Å |
| 1045 | A | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L986 F1041 L1042 L1047 M1048 R1049 L1059 I1062 L1073 | L986-A1045 HydrophobicContact CD1-CB 4.2Å; F1041-A1045 PolarHBondContact O-N 3.38Å; L1042-A1045 WeakPolarHBondContact O-CB 3.38Å; L1042-A1045 PolarHBondContact O-N 2.03Å; A1045-L1047 VanDerWaalsContact C-N 3.35Å; A1045-L1047 PolarHBondContact O-N 3.44Å; A1045-M1048 PolarHBondContact O-N 2.68Å; A1045-R1049 WeakPolarHBondContact O-CB 3.22Å; A1045-R1049 PolarHBondContact O-N 2.93Å; A1045-L1059 HydrophobicContact CB-CD2 4.41Å; A1045-L1059 WeakPolarHBondContact O-CD2 3.23Å; A1045-I1062 HydrophobicContact CB-CG2 3.73Å; A1045-L1073 HydrophobicContact CB-CD1 3.98Å; A1045-L1073 HydrophobicContact CB-CG 4.31Å |
| 1046 | K | 91 | Very high | 89.5 | Confident | 90 Ų | 90 | 41.4 Ų | 41.4 | 39% | 0.391 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.2 | 177.3 | 172.1 | 171.3 | 167 | 0 | 112 | L982 E985 L986 L1042 S1043 E1044 R1049 | L982-K1046 HydrophobicContact CD1-CB 4.07Å; L982-K1046 HydrophobicContact CD1-CD 3.53Å; L982-K1046 HydrophobicContact CD1-CG 4.37Å; E985-K1046 WeakPolarHBondContact OE1-CE 3.37Å; E985-K1046 IonicContact OE1-NZ 3.54Å; E985-K1046 PolarHBondContact OE1-NZ 3.28Å; E985-K1046 IonicContact OE2-NZ 3.68Å; E985-K1046 PolarHBondContact OE2-NZ 3.21Å; L986-K1046 HydrophobicContact CD1-CB 4.37Å; L986-K1046 HydrophobicContact CD2-CB 3.94Å; L986-K1046 HydrophobicContact CD2-CG 4.45Å; L1042-K1046 PolarHBondContact O-N 2.63Å; S1043-K1046 PolarHBondContact O-N 3.4Å; E1044-K1046 PolarHBondContact O-N 2.95Å; K1046-R1049 WeakPolarHBondContact O-CB 3.2Å; K1046-R1049 PolarHBondContact O-N 3.02Å |
| 1047 | L | 88.1 | Confident | 90.3 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 12% | 0.12 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 177.3 | -171.3 | 156.6 | 0 | 0 | 0 | 110.5 | S1043 E1044 A1045 R1049 L1051 L1127 F1150 T1153 | S1043-L1047 WeakPolarHBondContact O-CB 3.4Å; S1043-L1047 PolarHBondContact O-N 3.09Å; E1044-L1047 PolarHBondContact O-N 2.95Å; A1045-L1047 VanDerWaalsContact C-N 3.35Å; A1045-L1047 PolarHBondContact O-N 3.44Å; L1047-R1049 VanDerWaalsContact C-N 3.28Å; L1047-R1049 PolarHBondContact O-N 3.1Å; L1047-L1051 HydrophobicContact CD2-CD1 3.88Å; L1047-L1127 HydrophobicContact CD1-CD2 4.1Å; L1047-L1127 HydrophobicContact CD2-CD1 4.03Å; L1047-L1127 HydrophobicContact CG-CD1 4.47Å; L1047-L1127 HydrophobicContact CG-CD2 4.21Å; L1047-F1150 HydrophobicContact CD2-CB 4.2Å; L1047-F1150 HydrophobicContact CD2-CD1 4.01Å; L1047-F1150 HydrophobicContact CD2-CG 4.26Å; L1047-T1153 HydrophobicContact CD1-CG2 3.73Å; L1047-T1153 HydrophobicContact CD2-CG2 4.04Å |
| 1048 | M | 91.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66 | -26.1 | -179.6 | -67.5 | 179.2 | 71.9 | 0 | 0 | 113.9 | E1044 A1045 S1050 L1051 L1059 L1073 M1075 F1150 | E1044-M1048 HydrophobicContact CG-SD 4.22Å; E1044-M1048 VanDerWaalsContact O-CG 3.3Å; E1044-M1048 WeakPolarHBondContact O-CG 3.44Å; E1044-M1048 PolarHBondContact O-N 2.79Å; A1045-M1048 PolarHBondContact O-N 2.68Å; M1048-S1050 PolarHBondContact O-N 3.36Å; M1048-S1050 VanDerWaalsContact O-N 3.12Å; M1048-L1051 PolarHBondContact O-N 3.49Å; M1048-L1059 HydrophobicContact CB-CB 4.03Å; M1048-L1059 HydrophobicContact CB-CD2 4.28Å; M1048-L1059 HydrophobicContact CE-CB 4.44Å; M1048-L1073 HydrophobicContact SD-CD1 4.45Å; M1048-L1073 HydrophobicContact SD-CD2 4.24Å; M1048-M1075 HydrophobicContact CE-CG 4.05Å; M1048-M1075 HydrophobicContact CE-SD 3.92Å; M1048-F1150 HydrophobicContact CE-CD2 3.89Å; M1048-F1150 HydrophobicContact CE-CE2 4.05Å; M1048-F1150 HydrophobicContact CG-CB 4.13Å; M1048-F1150 HydrophobicContact CG-CD2 3.48Å; M1048-F1150 VanDerWaalsContact CG-CD2 3.48Å; M1048-F1150 HydrophobicContact CG-CE2 4.17Å; M1048-F1150 HydrophobicContact CG-CG 3.93Å; M1048-F1150 HydrophobicContact SD-CD2 3.65Å; M1048-F1150 HydrophobicContact SD-CE2 4.39Å; M1048-F1150 HydrophobicContact SD-CG 4.46Å |
| 1049 | R | 90.4 | Very high | 91.3 | Very high | 102 Ų | 102 | 39.3 Ų | 39.3 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -34.3 | -177.2 | 179.5 | 178.5 | 171.7 | -170.3 | -2.5 | 113.5 | E985 D988 I989 A1045 K1046 L1047 L1059 | E985-R1049 PolarHBondContact O-NH1 3.21Å; D988-R1049 VanDerWaalsContact CG-CZ 3.49Å; D988-R1049 IonicContact OD1-CZ 3.51Å; D988-R1049 IonicContact OD1-NE 3.19Å; D988-R1049 IonicContact OD1-NH1 3.29Å; D988-R1049 PolarHBondContact OD1-NH1 3.3Å; D988-R1049 IonicContact OD1-NH2 3.55Å; D988-R1049 PolarHBondContact OD1-NH2 3.33Å; D988-R1049 IonicContact OD2-CZ 3.64Å; D988-R1049 IonicContact OD2-NE 3.94Å; D988-R1049 PolarHBondContact OD2-NE 2.95Å; D988-R1049 IonicContact OD2-NH2 2.7Å; D988-R1049 PolarHBondContact OD2-NH2 3.22Å; I989-R1049 HydrophobicContact CD1-CB 4.47Å; I989-R1049 HydrophobicContact CD1-CG 4.28Å; A1045-R1049 WeakPolarHBondContact O-CB 3.22Å; A1045-R1049 PolarHBondContact O-N 2.93Å; K1046-R1049 WeakPolarHBondContact O-CB 3.2Å; K1046-R1049 PolarHBondContact O-N 3.02Å; L1047-R1049 VanDerWaalsContact C-N 3.28Å; L1047-R1049 PolarHBondContact O-N 3.1Å; R1049-L1059 HydrophobicContact CB-CD2 4.33Å |
| 1050 | S | 86.9 | Confident | 91.7 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 51% | 0.51 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -0.2 | -178.1 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | M1048 | M1048-S1050 PolarHBondContact O-N 3.36Å; M1048-S1050 VanDerWaalsContact O-N 3.12Å |
| 1051 | L | 93.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | trans | -89.7 | 118.7 | -176.7 | -55.3 | -174.2 | 0 | 0 | 0 | 110.7 | L1047 M1048 V1056 Y1121 L1122 L1127 F1150 | L1047-L1051 HydrophobicContact CD2-CD1 3.88Å; M1048-L1051 PolarHBondContact O-N 3.49Å; L1051-V1056 HydrophobicContact CB-CG1 4.04Å; L1051-V1056 HydrophobicContact CD1-CG1 4.06Å; L1051-Y1121 WeakPolarHBondContact CA-OH 3.28Å; L1051-Y1121 HydrophobicContact CB-CE1 4.32Å; L1051-Y1121 HydrophobicContact CD2-CE1 3.99Å; L1051-L1122 HydrophobicContact CD1-CD2 3.83Å; L1051-L1122 HydrophobicContact CD2-CD2 4.15Å; L1051-L1127 HydrophobicContact CD2-CD1 3.63Å; L1051-F1150 HydrophobicContact CD1-CD1 4.17Å; L1051-F1150 HydrophobicContact CD1-CE1 3.79Å; L1051-F1150 HydrophobicContact CD1-CE2 4.41Å; L1051-F1150 HydrophobicContact CD1-CZ 3.94Å | ||
| 1052 | D | 92.5 | Very high | 92.6 | Very high | 129 Ų | 129 | 35.9 Ų | 35.9 | 69% | 0.69 | 17% | 0.171 | S | C | * | . | trans | -138.8 | 101.1 | 174.5 | -174.1 | 22.6 | 0 | 0 | 0 | 109.3 | Y1121 | D1052-Y1121 PolarHBondContact N-OH 3.41Š| ||
| 1053 | H | 97.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 20% | 0.199 | 17% | 0.171 | C | C | . | . | trans | -155 | 143.4 | 178.9 | -172.4 | -98.8 | 0 | 0 | 0 | 110.1 | N1055 V1056 Y1121 | H1053-N1055 PolarHBondContact CE1-OD1 3.18Å; H1053-N1055 VanDerWaalsContact CE1-OD1 3.32Å; H1053-N1055 PolarHBondContact ND1-N 2.83Å; H1053-N1055 VanDerWaalsContact ND1-N 3.15Å; H1053-N1055 PolarHBondContact O-N 3.24Å; H1053-V1056 HydrophobicContact CB-CB 4.14Å; H1053-V1056 HydrophobicContact CB-CG2 4.16Å; H1053-V1056 PolarHBondContact O-N 3.05Å; H1053-V1056 VanDerWaalsContact O-O 3.11Å; H1053-Y1121 HydrophobicContact CB-CD1 3.61Å; H1053-Y1121 HydrophobicContact CB-CD2 3.95Å; H1053-Y1121 HydrophobicContact CB-CE1 3.82Å; H1053-Y1121 HydrophobicContact CB-CE2 4.14Å; H1053-Y1121 HydrophobicContact CB-CG 3.68Å; H1053-Y1121 AromaticContact CD2-CD2 3.77Å; H1053-Y1121 AromaticContact CD2-CG 3.79Å; H1053-Y1121 AromaticContact CG-CG 3.69Å | ||
| 1054 | R | 96.6 | Very high | 93 | Very high | 137 Ų | 137 | 34.2 Ų | 34.2 | 52% | 0.517 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.5 | -177 | 79 | -175.2 | -169.3 | 161.8 | 6.7 | 113.7 | E1117 K1146 | R1054-E1117 IonicContact CZ-OE2 2.68Å; R1054-E1117 VanDerWaalsContact CZ-OE2 3.23Å; R1054-E1117 IonicContact NE-OE2 3.56Å; R1054-E1117 PolarHBondContact NE-OE2 3.47Å; R1054-E1117 VanDerWaalsContact NE-OE2 3.14Å; R1054-E1117 IonicContact NH2-OE1 2.67Å; R1054-E1117 PolarHBondContact NH2-OE1 3.03Å; R1054-E1117 IonicContact NH2-OE2 3.25Å; R1054-E1117 PolarHBondContact NH2-OE2 2.68Å; R1054-K1146 WeakPolarHBondContact O-CD 3.39Å; R1054-K1146 WeakPolarHBondContact O-CE 3.46Å; R1054-K1146 WeakPolarHBondContact O-CG 3.49Å |
| 1055 | N | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 21.2 | -179.6 | -53.5 | 107.2 | 0 | 0 | 0 | 114 | H1053 D1114 E1117 V1145 K1146 I1147 | H1053-N1055 PolarHBondContact CE1-OD1 3.18Å; H1053-N1055 VanDerWaalsContact CE1-OD1 3.32Å; H1053-N1055 PolarHBondContact ND1-N 2.83Å; H1053-N1055 VanDerWaalsContact ND1-N 3.15Å; H1053-N1055 PolarHBondContact O-N 3.24Å; N1055-D1114 WeakPolarHBondContact CB-O 3.17Å; N1055-D1114 WeakPolarHBondContact ND2-CA 3.43Å; N1055-D1114 WeakPolarHBondContact ND2-CB 3.45Å; N1055-D1114 PolarHBondContact ND2-OD1 2.92Å; N1055-E1117 PolarHBondContact OD1-OE2 2.77Å; N1055-V1145 WeakPolarHBondContact CA-O 3.33Å; N1055-V1145 PolarHBondContact ND2-O 2.71Å; N1055-K1146 WeakPolarHBondContact O-CA 3.22Å; N1055-I1147 PolarHBondContact O-N 2.95Å |
| 1056 | V | 97.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -128.6 | 133.7 | 173.4 | 168.3 | 0 | 0 | 0 | 0 | 108.5 | L1051 H1053 R1058 Y1121 L1122 F1150 | L1051-V1056 HydrophobicContact CB-CG1 4.04Å; L1051-V1056 HydrophobicContact CD1-CG1 4.06Å; H1053-V1056 HydrophobicContact CB-CB 4.14Å; H1053-V1056 HydrophobicContact CB-CG2 4.16Å; H1053-V1056 PolarHBondContact O-N 3.05Å; H1053-V1056 VanDerWaalsContact O-O 3.11Å; V1056-R1058 PolarHBondContact O-N 3.34Å; V1056-Y1121 HydrophobicContact CG2-CD1 3.91Å; V1056-Y1121 HydrophobicContact CG2-CE1 4.41Å; V1056-L1122 HydrophobicContact CG2-CD2 4.3Å; V1056-L1122 HydrophobicContact CG2-CG 4.4Å; V1056-F1150 HydrophobicContact CG1-CE2 4.24Å; V1056-F1150 HydrophobicContact CG1-CZ 3.66Å |
| 1057 | V | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 122.3 | 179.6 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | M1075 E1076 M1078 L1138 K1146 I1147 | V1057-M1075 HydrophobicContact CG1-CB 3.91Å; V1057-M1075 HydrophobicContact CG1-CG 4.33Å; V1057-M1075 HydrophobicContact CG1-SD 4.21Å; V1057-E1076 HydrophobicContact CG1-CG 4.07Å; V1057-M1078 HydrophobicContact CG2-CG 4.48Å; V1057-L1138 HydrophobicContact CG2-CD1 3.9Å; V1057-L1138 HydrophobicContact CG2-CG 4.39Å; V1057-K1146 HydrophobicContact CG2-CB 3.79Å; V1057-I1147 WeakPolarHBondContact CG2-O 3.28Å; V1057-I1147 PolarHBondContact N-O 3.22Å |
| 1058 | R | 94.2 | Very high | 90.8 | Very high | 73 Ų | 73 | 51 Ų | 51 | 28% | 0.275 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -77.1 | 134.4 | -179.3 | -179 | 176.7 | 60 | 84.4 | -5.2 | 111.5 | E1022 V1056 V1060 M1075 E1076 | E1022-R1058 IonicContact OE1-NH1 3.83Å; E1022-R1058 IonicContact OE2-CZ 2.73Å; E1022-R1058 IonicContact OE2-NH1 3.53Å; E1022-R1058 IonicContact OE2-NH2 3.29Å; E1022-R1058 PolarHBondContact OE2-NH2 2.71Å; V1056-R1058 PolarHBondContact O-N 3.34Å; R1058-V1060 PolarHBondContact O-N 2.69Å; R1058-M1075 WeakPolarHBondContact O-CA 3.37Å; R1058-E1076 HydrophobicContact CB-CG 4.35Å; R1058-E1076 WeakPolarHBondContact CB-OE1 3.12Å; R1058-E1076 PolarHBondContact N-OE1 3.02Å; R1058-E1076 PolarHBondContact O-N 3.46Å; R1058-E1076 VanDerWaalsContact O-N 3.14Å |
| 1059 | L | 94.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 121.9 | 163.6 | -173.6 | 69.2 | 0 | 0 | 0 | 109.6 | I989 A1045 M1048 R1049 G1061 L1073 I1074 | I989-L1059 HydrophobicContact CD1-CD2 3.61Å; A1045-L1059 HydrophobicContact CB-CD2 4.41Å; A1045-L1059 WeakPolarHBondContact O-CD2 3.23Å; M1048-L1059 HydrophobicContact CB-CB 4.03Å; M1048-L1059 HydrophobicContact CB-CD2 4.28Å; M1048-L1059 HydrophobicContact CE-CB 4.44Å; R1049-L1059 HydrophobicContact CB-CD2 4.33Å; L1059-G1061 WeakPolarHBondContact CD1-O 3.01Å; L1059-L1073 HydrophobicContact CD1-CD2 3.78Å; L1059-L1073 HydrophobicContact CD1-CG 3.92Å; L1059-I1074 WeakPolarHBondContact CD1-O 3.3Å |
| 1060 | V | 93.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -42.5 | 174.6 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | I991 A1015 R1017 E1022 V1024 R1058 I1074 | I991-V1060 HydrophobicContact CD1-CG1 4.02Å; A1015-V1060 HydrophobicContact CB-CG1 4.41Å; R1017-V1060 PolarHBondContact NH1-O 3.4Å; E1022-V1060 HydrophobicContact CG-CG1 4.46Å; E1022-V1060 WeakPolarHBondContact OE1-CG1 3.48Å; V1024-V1060 HydrophobicContact CG1-CB 4.34Å; V1024-V1060 HydrophobicContact CG1-CG1 4.11Å; V1024-V1060 HydrophobicContact CG1-CG2 4.05Å; R1058-V1060 PolarHBondContact O-N 2.69Å; V1060-I1074 WeakPolarHBondContact CA-O 3.41Å; V1060-I1074 HydrophobicContact CB-CB 4.49Å; V1060-I1074 HydrophobicContact CB-CG2 4.02Å; V1060-I1074 WeakPolarHBondContact CB-O 3.41Å; V1060-I1074 HydrophobicContact CG1-CG2 4.04Å; V1060-I1074 PolarHBondContact N-O 2.96Å |
| 1061 | G | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -167.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I989 L1059 I1074 | I989-G1061 WeakPolarHBondContact O-CA 3.28Å; L1059-G1061 WeakPolarHBondContact CD1-O 3.01Å; G1061-I1074 PolarHBondContact N-O 3.24Å; G1061-I1074 WeakPolarHBondContact O-CA 3.45Å; G1061-I1074 WeakPolarHBondContact O-CB 3.44Å; G1061-I1074 PolarHBondContact O-N 3.26Å |
| 1062 | I | 95 | Very high | 90 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 165.7 | 173.6 | 63.8 | 178.5 | 0 | 0 | 0 | 110.4 | L986 I989 D990 I991 L1042 A1045 L1064 Y1072 | L986-I1062 HydrophobicContact CB-CD1 3.45Å; L986-I1062 VanDerWaalsContact CB-CD1 3.45Å; L986-I1062 HydrophobicContact CD1-CD1 4.13Å; L986-I1062 HydrophobicContact CG-CD1 4.4Å; I989-I1062 HydrophobicContact CD1-CD1 4.49Å; I989-I1062 HydrophobicContact CD1-CG1 4.44Å; I989-I1062 HydrophobicContact CD1-CG2 4.24Å; I989-I1062 HydrophobicContact CG1-CD1 4.28Å; I989-I1062 HydrophobicContact CG1-CG1 4.15Å; I989-I1062 PolarHBondContact O-N 3.36Å; D990-I1062 CarbonylContact C-O 3.58Å; D990-I1062 WeakPolarHBondContact CA-O 3.44Å; I991-I1062 PolarHBondContact N-O 3.35Å; L1042-I1062 HydrophobicContact CD2-CD1 4.41Å; A1045-I1062 HydrophobicContact CB-CG2 3.73Å; I1062-L1064 HydrophobicContact CD1-CD1 4.18Å; I1062-L1064 HydrophobicContact CD1-CD2 3.61Å; I1062-L1064 HydrophobicContact CD1-CG 3.77Å; I1062-L1064 HydrophobicContact CG1-CD2 4.4Å; I1062-L1064 HydrophobicContact CG1-CG 4.21Å; I1062-Y1072 CarbonylContact C-O 3.56Å; I1062-Y1072 VanDerWaalsContact CA-O 3.24Å; I1062-Y1072 WeakPolarHBondContact CA-O 3.35Å; I1062-Y1072 WeakPolarHBondContact CB-O 3.02Å |
| 1063 | C | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 109.2 | 166.8 | -164.8 | 0 | 0 | 0 | 0 | 108.1 | D990 I991 I996 P1066 Y1072 I1074 | D990-C1063 WeakPolarHBondContact OD1-CA 3.32Å; I991-C1063 PolarHBondContact O-SG 2.94Å; I991-C1063 VanDerWaalsContact O-SG 3.35Å; I996-C1063 HydrophobicContact CD1-CB 3.56Å; C1063-P1066 WeakPolarHBondContact O-CD 3.01Å; C1063-Y1072 HydrophobicContact CB-CD2 3.76Å; C1063-Y1072 HydrophobicContact CB-CG 4.01Å; C1063-Y1072 PolarHBondContact N-O 3.24Å; C1063-Y1072 PolarHBondContact O-N 3.46Å; C1063-Y1072 VanDerWaalsContact O-N 3.09Å; C1063-I1074 HydrophobicContact CB-CD1 4.46Å |
| 1064 | L | 90.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -83.1 | -24.1 | -177.7 | -67.1 | 176.7 | 0 | 0 | 0 | 112.9 | C983 D990 L1042 I1062 L1071 | C983-L1064 HydrophobicContact CB-CD1 4.17Å; C983-L1064 HydrophobicContact CB-CD2 4.32Å; C983-L1064 VanDerWaalsContact O-CD1 3.29Å; C983-L1064 WeakPolarHBondContact O-CD1 3.3Å; D990-L1064 HydrophobicContact CB-CD1 4.36Å; D990-L1064 PolarHBondContact OD1-N 3.09Å; L1042-L1064 HydrophobicContact CD1-CD2 4.24Å; L1042-L1064 HydrophobicContact CD2-CD2 3.85Å; I1062-L1064 HydrophobicContact CD1-CD1 4.18Å; I1062-L1064 HydrophobicContact CD1-CD2 3.61Å; I1062-L1064 HydrophobicContact CD1-CG 3.77Å; I1062-L1064 HydrophobicContact CG1-CD2 4.4Å; I1062-L1064 HydrophobicContact CG1-CG 4.21Å; L1064-L1071 HydrophobicContact CD2-CD2 4.32Å; L1064-L1071 WeakPolarHBondContact O-CD2 3.37Å |
| 1065 | Y | 83.2 | Confident | 89.9 | Confident | 138 Ų | 138 | 35.8 Ų | 35.8 | 54% | 0.541 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -128.8 | 47.3 | -173.2 | -50.6 | -75 | 0 | 0 | 0 | 114.8 | P993 | P993-Y1065 VanDerWaalsContact CG-O 3.23Å; P993-Y1065 WeakPolarHBondContact CG-O 3.45Å |
| 1066 | P | 76.9 | Confident | 89.7 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | trans | -69.8 | 168.7 | 170.8 | 33.3 | -36.5 | 0 | 0 | 0 | 111.6 | C1063 N1069 H1070 Y1072 | C1063-P1066 WeakPolarHBondContact O-CD 3.01Å; P1066-N1069 PolarHBondContact O-N 3.12Å; P1066-H1070 WeakPolarHBondContact CD-O 3.49Å; P1066-H1070 HydrophobicContact CG-CB 3.8Å; P1066-H1070 WeakPolarHBondContact CG-O 3.49Å; P1066-Y1072 HydrophobicContact CB-CD2 4.15Å; P1066-Y1072 HydrophobicContact CB-CE1 4.06Å; P1066-Y1072 HydrophobicContact CB-CE2 3.6Å; P1066-Y1072 HydrophobicContact CG-CD1 4.23Å; P1066-Y1072 HydrophobicContact CG-CD2 4.44Å; P1066-Y1072 HydrophobicContact CG-CE1 3.97Å; P1066-Y1072 HydrophobicContact CG-CE2 4.23Å; P1066-Y1072 HydrophobicContact CG-CG 4.44Å | ||
| 1067 | K | 74.3 | Confident | 89.5 | Confident | 183 Ų | 183 | 39.9 Ų | 39.9 | 80% | 0.796 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -53.4 | 145.9 | 174.7 | -67.5 | -177.4 | -179.7 | 178.3 | 0 | 110.7 | N1069 | K1067-N1069 VanDerWaalsContact C-N 3.27Å; K1067-N1069 PolarHBondContact O-N 3.05Å |
| 1068 | E | 75.9 | Confident | 89.4 | Confident | 141 Ų | 141 | 40.4 Ų | 40.4 | 66% | 0.659 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | 67 | 11.4 | 176.8 | -55 | 175.6 | -177.9 | 0 | 0 | 116.4 | N1031 H1070 | N1031-E1068 WeakPolarHBondContact CB-O 3.28Å; N1031-E1068 PolarHBondContact ND2-O 3.05Å; E1068-H1070 IonicContact OE2-CE1 2.73Å; E1068-H1070 PolarHBondContact OE2-CE1 3.21Å; E1068-H1070 IonicContact OE2-NE2 3.83Å |
| 1069 | N | 77.9 | Confident | 89.1 | Confident | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | 67.8 | 34 | 179.5 | -163.2 | 31.5 | 0 | 0 | 0 | 114.1 | N1031 K1038 P1066 K1067 | N1031-N1069 HydrophobicContact CB-CB 4.31Å; K1038-N1069 PolarHBondContact NZ-ND2 2.66Å; K1038-N1069 PolarHBondContact NZ-O 3.04Å; P1066-N1069 PolarHBondContact O-N 3.12Å; K1067-N1069 VanDerWaalsContact C-N 3.27Å; K1067-N1069 PolarHBondContact O-N 3.05Å |
| 1070 | H | 85.7 | Confident | 89 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 16% | 0.157 | 20% | 0.204 | C | C | . | . | trans | -75 | 167.1 | 167 | -63.5 | 158 | 0 | 0 | 0 | 111.1 | V1028 I1029 G1030 N1031 P1066 E1068 Y1072 | V1028-H1070 HydrophobicContact CG1-CB 4.33Å; I1029-H1070 WeakPolarHBondContact O-CA 3.15Å; G1030-H1070 VanDerWaalsContact CA-CD2 3.46Å; G1030-H1070 WeakPolarHBondContact CA-CD2 3.17Å; N1031-H1070 PolarHBondContact N-CD2 2.9Å; P1066-H1070 WeakPolarHBondContact CD-O 3.49Å; P1066-H1070 HydrophobicContact CG-CB 3.8Å; P1066-H1070 WeakPolarHBondContact CG-O 3.49Å; E1068-H1070 IonicContact OE2-CE1 2.73Å; E1068-H1070 PolarHBondContact OE2-CE1 3.21Å; E1068-H1070 IonicContact OE2-NE2 3.83Å; H1070-Y1072 HydrophobicContact CB-CD1 4.45Å; H1070-Y1072 HydrophobicContact CB-CE1 3.78Å | ||
| 1071 | L | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138.5 | 166.9 | -55.6 | 166.1 | 0 | 0 | 0 | 108.9 | Y979 I1029 K1038 F1041 L1042 L1064 | Y979-L1071 HydrophobicContact CE2-CD1 3.77Å; I1029-L1071 HydrophobicContact CG2-CB 3.66Å; I1029-L1071 HydrophobicContact CG2-CD1 4.12Å; I1029-L1071 HydrophobicContact CG2-CG 4.22Å; I1029-L1071 PolarHBondContact N-O 3.24Å; I1029-L1071 VanDerWaalsContact N-O 3.08Å; I1029-L1071 PolarHBondContact O-N 2.94Å; I1029-L1071 VanDerWaalsContact O-N 3.11Å; K1038-L1071 HydrophobicContact CB-CD1 3.86Å; K1038-L1071 HydrophobicContact CD-CD1 4.01Å; K1038-L1071 HydrophobicContact CG-CD1 3.83Å; F1041-L1071 HydrophobicContact CD1-CB 4.09Å; F1041-L1071 HydrophobicContact CD1-CD1 4.5Å; F1041-L1071 HydrophobicContact CE1-CB 3.87Å; L1042-L1071 HydrophobicContact CD1-CD1 4.43Å; L1042-L1071 HydrophobicContact CD2-CD1 4.47Å; L1042-L1071 HydrophobicContact CG-CD1 4.27Å; L1064-L1071 HydrophobicContact CD2-CD2 4.32Å; L1064-L1071 WeakPolarHBondContact O-CD2 3.37Å |
| 1072 | Y | 93.3 | Very high | 88.8 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.6 | 179.7 | -56.7 | -16.5 | 0 | 0 | 0 | 110.8 | I996 L998 V1026 K1027 V1028 I1062 C1063 P1066 H1070 | I996-Y1072 HydrophobicContact CD1-CD2 4.44Å; L998-Y1072 HydrophobicContact CD1-CE2 4Å; L998-Y1072 HydrophobicContact CG-CE2 4.49Å; V1026-Y1072 HydrophobicContact CG1-CD1 4.37Å; V1026-Y1072 HydrophobicContact CG1-CD2 4.14Å; V1026-Y1072 HydrophobicContact CG1-CG 3.8Å; K1027-Y1072 WeakPolarHBondContact O-CA 3.33Å; V1028-Y1072 HydrophobicContact CB-CD1 4.11Å; V1028-Y1072 HydrophobicContact CB-CE1 4.22Å; V1028-Y1072 HydrophobicContact CG1-CD1 3.8Å; V1028-Y1072 HydrophobicContact CG1-CE1 3.54Å; V1028-Y1072 HydrophobicContact CG2-CD1 3.61Å; V1028-Y1072 HydrophobicContact CG2-CE1 3.75Å; V1028-Y1072 HydrophobicContact CG2-CG 4.43Å; I1062-Y1072 CarbonylContact C-O 3.56Å; I1062-Y1072 VanDerWaalsContact CA-O 3.24Å; I1062-Y1072 WeakPolarHBondContact CA-O 3.35Å; I1062-Y1072 WeakPolarHBondContact CB-O 3.02Å; C1063-Y1072 HydrophobicContact CB-CD2 3.76Å; C1063-Y1072 HydrophobicContact CB-CG 4.01Å; C1063-Y1072 PolarHBondContact N-O 3.24Å; C1063-Y1072 PolarHBondContact O-N 3.46Å; C1063-Y1072 VanDerWaalsContact O-N 3.09Å; P1066-Y1072 HydrophobicContact CB-CD2 4.15Å; P1066-Y1072 HydrophobicContact CB-CE1 4.06Å; P1066-Y1072 HydrophobicContact CB-CE2 3.6Å; P1066-Y1072 HydrophobicContact CG-CD1 4.23Å; P1066-Y1072 HydrophobicContact CG-CD2 4.44Å; P1066-Y1072 HydrophobicContact CG-CE1 3.97Å; P1066-Y1072 HydrophobicContact CG-CE2 4.23Å; P1066-Y1072 HydrophobicContact CG-CG 4.44Å; H1070-Y1072 HydrophobicContact CB-CD1 4.45Å; H1070-Y1072 HydrophobicContact CB-CE1 3.78Å |
| 1073 | L | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 114.7 | 168.6 | -175 | 164.8 | 0 | 0 | 0 | 106.4 | V1026 K1027 F1041 E1044 A1045 M1048 L1059 M1075 | V1026-L1073 WeakPolarHBondContact CA-O 3.42Å; K1027-L1073 HydrophobicContact CB-CB 4.29Å; K1027-L1073 PolarHBondContact N-O 3.09Å; K1027-L1073 PolarHBondContact O-N 3.25Å; F1041-L1073 HydrophobicContact CE1-CB 3.73Å; F1041-L1073 HydrophobicContact CE2-CB 4.13Å; F1041-L1073 HydrophobicContact CZ-CB 3.37Å; E1044-L1073 HydrophobicContact CB-CD1 4.21Å; E1044-L1073 HydrophobicContact CG-CD1 4.07Å; A1045-L1073 HydrophobicContact CB-CD1 3.98Å; A1045-L1073 HydrophobicContact CB-CG 4.31Å; M1048-L1073 HydrophobicContact SD-CD1 4.45Å; M1048-L1073 HydrophobicContact SD-CD2 4.24Å; L1059-L1073 HydrophobicContact CD1-CD2 3.78Å; L1059-L1073 HydrophobicContact CD1-CG 3.92Å; L1073-M1075 HydrophobicContact CD2-CE 4.16Å; L1073-M1075 HydrophobicContact CD2-CG 3.35Å; L1073-M1075 HydrophobicContact CD2-SD 3.59Å; L1073-M1075 VanDerWaalsContact CD2-SD 3.59Å |
| 1074 | I | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.6 | -166.6 | -52 | 164.6 | 0 | 0 | 0 | 107.9 | I991 I996 A1015 V1024 V1026 L1059 V1060 G1061 C1063 | I991-I1074 HydrophobicContact CB-CD1 4.28Å; I991-I1074 HydrophobicContact CD1-CD1 4.04Å; I996-I1074 HydrophobicContact CD1-CD1 3.5Å; I996-I1074 HydrophobicContact CG1-CD1 3.99Å; A1015-I1074 HydrophobicContact CB-CG2 4.1Å; V1024-I1074 HydrophobicContact CB-CG2 3.63Å; V1024-I1074 HydrophobicContact CG1-CG2 3.69Å; V1024-I1074 HydrophobicContact CG2-CG2 3.81Å; V1026-I1074 HydrophobicContact CG1-CG1 4.25Å; V1026-I1074 HydrophobicContact CG2-CG1 4.41Å; V1026-I1074 HydrophobicContact CG2-CG2 4.34Å; L1059-I1074 WeakPolarHBondContact CD1-O 3.3Å; V1060-I1074 WeakPolarHBondContact CA-O 3.41Å; V1060-I1074 HydrophobicContact CB-CB 4.49Å; V1060-I1074 HydrophobicContact CB-CG2 4.02Å; V1060-I1074 WeakPolarHBondContact CB-O 3.41Å; V1060-I1074 HydrophobicContact CG1-CG2 4.04Å; V1060-I1074 PolarHBondContact N-O 2.96Å; G1061-I1074 PolarHBondContact N-O 3.24Å; G1061-I1074 WeakPolarHBondContact O-CA 3.45Å; G1061-I1074 WeakPolarHBondContact O-CB 3.44Å; G1061-I1074 PolarHBondContact O-N 3.26Å; C1063-I1074 HydrophobicContact CB-CD1 4.46Å |
| 1075 | M | 94.9 | Very high | 88.7 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 162.4 | -175.8 | -57.9 | 173.2 | -70.6 | 0 | 0 | 110.1 | V1024 A1025 K1027 M1048 V1057 R1058 L1073 | V1024-M1075 CarbonylContact C-O 3.39Å; V1024-M1075 WeakPolarHBondContact CA-O 3.5Å; V1024-M1075 VanDerWaalsContact CB-O 3.26Å; V1024-M1075 WeakPolarHBondContact CB-O 3.41Å; A1025-M1075 HydrophobicContact CB-CE 4.4Å; A1025-M1075 PolarHBondContact N-O 2.84Å; A1025-M1075 PolarHBondContact O-N 2.88Å; K1027-M1075 HydrophobicContact CB-CE 4.41Å; M1048-M1075 HydrophobicContact CE-CG 4.05Å; M1048-M1075 HydrophobicContact CE-SD 3.92Å; V1057-M1075 HydrophobicContact CG1-CB 3.91Å; V1057-M1075 HydrophobicContact CG1-CG 4.33Å; V1057-M1075 HydrophobicContact CG1-SD 4.21Å; R1058-M1075 WeakPolarHBondContact O-CA 3.37Å; L1073-M1075 HydrophobicContact CD2-CE 4.16Å; L1073-M1075 HydrophobicContact CD2-CG 3.35Å; L1073-M1075 HydrophobicContact CD2-SD 3.59Å; L1073-M1075 VanDerWaalsContact CD2-SD 3.59Å |
| 1076 | E | 94 | Very high | 89.2 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 142.3 | 169 | 64.7 | -179.4 | 138.2 | 0 | 0 | 111.5 | V1057 R1058 M1078 K1146 | V1057-E1076 HydrophobicContact CG1-CG 4.07Å; R1058-E1076 HydrophobicContact CB-CG 4.35Å; R1058-E1076 WeakPolarHBondContact CB-OE1 3.12Å; R1058-E1076 PolarHBondContact N-OE1 3.02Å; R1058-E1076 PolarHBondContact O-N 3.46Å; R1058-E1076 VanDerWaalsContact O-N 3.14Å; E1076-M1078 HydrophobicContact CG-SD 4.23Å; E1076-K1146 WeakPolarHBondContact OE1-CD 3.45Å; E1076-K1146 IonicContact OE1-NZ 3.07Å; E1076-K1146 PolarHBondContact OE1-NZ 3.14Å; E1076-K1146 IonicContact OE2-NZ 3.73Å; E1076-K1146 PolarHBondContact OE2-NZ 2.77Å |
| 1077 | F | 92.9 | Very high | 90 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | trans | -83.7 | 119.6 | 178.6 | -173.5 | -108.4 | 0 | 0 | 0 | 111.8 | V1002 A1023 A1025 L1079 | V1002-F1077 HydrophobicContact CG1-CE2 4.47Å; V1002-F1077 HydrophobicContact CG2-CE2 4.11Å; A1023-F1077 HydrophobicContact CB-CB 4.08Å; A1023-F1077 WeakPolarHBondContact O-CB 3.46Å; A1023-F1077 PolarHBondContact O-N 2.89Å; A1025-F1077 HydrophobicContact CB-CD2 4.2Å; F1077-L1079 HydrophobicContact CE1-CB 4.34Å; F1077-L1079 HydrophobicContact CE1-CD1 3.8Å; F1077-L1079 PolarHBondContact O-N 2.99Å | ||
| 1078 | M | 93.8 | Very high | 90.6 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | trans | -94.3 | 97.4 | 177.4 | -60.6 | -62.7 | -73 | 0 | 0 | 109.8 | V1057 E1076 N1080 G1081 L1138 V1139 K1146 | V1057-M1078 HydrophobicContact CG2-CG 4.48Å; E1076-M1078 HydrophobicContact CG-SD 4.23Å; M1078-N1080 VanDerWaalsContact C-N 3.26Å; M1078-N1080 PolarHBondContact O-N 2.55Å; M1078-N1080 VanDerWaalsContact O-N 3.16Å; M1078-G1081 PolarHBondContact O-N 3.05Å; M1078-L1138 HydrophobicContact CB-CB 3.62Å; M1078-L1138 HydrophobicContact CB-CD1 4.08Å; M1078-L1138 HydrophobicContact CB-CG 4.46Å; M1078-L1138 HydrophobicContact CE-CB 4.15Å; M1078-L1138 VanDerWaalsContact CE-O 3.28Å; M1078-L1138 WeakPolarHBondContact CE-O 3.19Å; M1078-L1138 HydrophobicContact CG-CB 3.58Å; M1078-L1138 HydrophobicContact CG-CD1 3.79Å; M1078-L1138 HydrophobicContact CG-CG 4.35Å; M1078-V1139 CarbonylContact C-O 3.42Å; M1078-K1146 HydrophobicContact CE-CB 3.87Å; M1078-K1146 HydrophobicContact CE-CD 3.78Å; M1078-K1146 HydrophobicContact CE-CG 3.56Å; M1078-K1146 HydrophobicContact SD-CD 3.94Å; M1078-K1146 HydrophobicContact SD-CG 4.38Å | ||
| 1079 | L | 89.2 | Confident | 91.1 | Very high | 107 Ų | 107 | 38.2 Ų | 38.2 | 56% | 0.56 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -36.4 | -167.1 | -178 | 63.1 | 0 | 0 | 0 | 114.4 | F1077 G1081 | F1077-L1079 HydrophobicContact CE1-CB 4.34Å; F1077-L1079 HydrophobicContact CE1-CD1 3.8Å; F1077-L1079 PolarHBondContact O-N 2.99Å; L1079-G1081 VanDerWaalsContact C-N 3.28Å; L1079-G1081 PolarHBondContact O-N 3.49Å |
| 1080 | N | 90.7 | Very high | 91.7 | Very high | 53 Ų | 53 | 37 Ų | 37 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.6 | -175.3 | -75.1 | -33.2 | 0 | 0 | 0 | 113.3 | M1078 Y1086 V1139 G1140 | M1078-N1080 VanDerWaalsContact C-N 3.26Å; M1078-N1080 PolarHBondContact O-N 2.55Å; M1078-N1080 VanDerWaalsContact O-N 3.16Å; N1080-Y1086 HydrophobicContact CB-CD2 3.96Å; N1080-Y1086 HydrophobicContact CB-CE2 4.28Å; N1080-V1139 HydrophobicContact CB-CB 3.74Å; N1080-V1139 HydrophobicContact CB-CG1 3.89Å; N1080-V1139 WeakPolarHBondContact CB-O 3.42Å; N1080-V1139 PolarHBondContact N-O 2.86Å; N1080-V1139 VanDerWaalsContact N-O 3.1Å; N1080-G1140 PolarHBondContact ND2-O 3.47Å |
| 1081 | G | 91.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 29% | 0.289 | 20% | 0.203 | S | C | . | . | trans | 72 | -158.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1078 L1079 L1138 V1139 | M1078-G1081 PolarHBondContact O-N 3.05Å; L1079-G1081 VanDerWaalsContact C-N 3.28Å; L1079-G1081 PolarHBondContact O-N 3.49Å; G1081-L1138 CarbonylContact O-C 3.59Å; G1081-L1138 WeakPolarHBondContact O-CA 3.29Å; G1081-V1139 PolarHBondContact O-N 3.22Å | ||
| 1082 | D | 93 | Very high | 91.1 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 149.6 | 175.9 | 70.9 | 95.1 | 0 | 0 | 0 | 112.2 | K1084 T1085 Y1086 R1135 C1137 L1138 | D1082-K1084 PolarHBondContact O-N 3.38Å; D1082-K1084 WeakPolarHBondContact OD1-CB 3.33Å; D1082-K1084 PolarHBondContact OD1-N 2.93Å; D1082-T1085 VanDerWaalsContact CG-OG1 3.28Å; D1082-T1085 PolarHBondContact O-N 3.2Å; D1082-T1085 PolarHBondContact OD1-N 3.39Å; D1082-T1085 PolarHBondContact OD1-OG1 2.73Å; D1082-T1085 VanDerWaalsContact OD1-OG1 3.13Å; D1082-T1085 VanDerWaalsContact OD2-CB 3.29Å; D1082-T1085 WeakPolarHBondContact OD2-CB 3.45Å; D1082-T1085 PolarHBondContact OD2-OG1 2.91Å; D1082-Y1086 WeakPolarHBondContact O-CB 3.46Å; D1082-Y1086 PolarHBondContact O-N 3.42Å; D1082-R1135 WeakPolarHBondContact CB-O 3.1Å; D1082-C1137 CarbonylContact C-O 3.55Å; D1082-C1137 WeakPolarHBondContact CA-O 3.12Å; D1082-L1138 HydrophobicContact CB-CD2 3.9Å |
| 1083 | L | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -31.6 | -174.5 | 179.4 | 61.3 | 0 | 0 | 0 | 111.5 | Y1086 L1087 M1111 I1115 C1134 C1137 V1139 V1145 I1204 | L1083-Y1086 HydrophobicContact CD1-CD1 4.06Å; L1083-Y1086 WeakPolarHBondContact O-CB 3.41Å; L1083-Y1086 PolarHBondContact O-N 3.21Å; L1083-L1087 HydrophobicContact CD1-CD1 4.15Å; L1083-L1087 HydrophobicContact CD1-CD2 4.44Å; L1083-L1087 HydrophobicContact CD1-CG 3.97Å; L1083-L1087 HydrophobicContact CG-CD1 3.95Å; L1083-L1087 HydrophobicContact CG-CG 4.25Å; L1083-L1087 WeakPolarHBondContact O-CB 3.36Å; L1083-L1087 WeakPolarHBondContact O-CG 3.48Å; L1083-L1087 PolarHBondContact O-N 3.19Å; L1083-M1111 HydrophobicContact CD1-SD 3.87Å; L1083-I1115 HydrophobicContact CD2-CD1 3.67Å; L1083-C1134 HydrophobicContact CB-CB 4.41Å; L1083-C1134 WeakPolarHBondContact CB-O 3.39Å; L1083-C1134 HydrophobicContact CG-CB 4.49Å; L1083-C1134 PolarHBondContact N-O 3.48Å; L1083-C1137 HydrophobicContact CB-CB 4.05Å; L1083-C1137 WeakPolarHBondContact CB-O 3.49Å; L1083-C1137 HydrophobicContact CD2-CB 4.26Å; L1083-C1137 PolarHBondContact N-O 3Å; L1083-V1139 HydrophobicContact CB-CG2 4.05Å; L1083-V1139 HydrophobicContact CD1-CG2 3.81Å; L1083-V1145 HydrophobicContact CD2-CG1 4.42Å; L1083-I1204 HydrophobicContact CD2-CD1 4.25Å; L1083-I1204 HydrophobicContact CD2-CG1 4.18Å |
| 1084 | K | 93 | Very high | 90 | Very high | 45 Ų | 45 | 44 Ų | 44 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -49.4 | 176 | 179.2 | 172.9 | -177.7 | 165.4 | 0 | 110.8 | D1082 Y1086 L1087 L1088 C1134 | D1082-K1084 PolarHBondContact O-N 3.38Å; D1082-K1084 WeakPolarHBondContact OD1-CB 3.33Å; D1082-K1084 PolarHBondContact OD1-N 2.93Å; K1084-Y1086 VanDerWaalsContact C-N 3.33Å; K1084-L1087 PolarHBondContact O-N 2.96Å; K1084-L1088 HydrophobicContact CG-CD1 3.93Å; K1084-L1088 WeakPolarHBondContact O-CB 3.35Å; K1084-L1088 VanDerWaalsContact O-CG 3.3Å; K1084-L1088 WeakPolarHBondContact O-CG 3.36Å; K1084-L1088 PolarHBondContact O-N 2.97Å; K1084-C1134 HydrophobicContact CB-CB 3.87Å; K1084-C1134 PolarHBondContact N-O 2.8Å |
| 1085 | T | 88.8 | Confident | 89.4 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 175.1 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | D1082 L1087 L1088 S1089 | D1082-T1085 VanDerWaalsContact CG-OG1 3.28Å; D1082-T1085 PolarHBondContact O-N 3.2Å; D1082-T1085 PolarHBondContact OD1-N 3.39Å; D1082-T1085 PolarHBondContact OD1-OG1 2.73Å; D1082-T1085 VanDerWaalsContact OD1-OG1 3.13Å; D1082-T1085 VanDerWaalsContact OD2-CB 3.29Å; D1082-T1085 WeakPolarHBondContact OD2-CB 3.45Å; D1082-T1085 PolarHBondContact OD2-OG1 2.91Å; T1085-L1087 PolarHBondContact O-N 3.13Å; T1085-L1088 PolarHBondContact O-N 3.46Å; T1085-S1089 WeakPolarHBondContact O-CB 3.42Å; T1085-S1089 PolarHBondContact O-N 3.19Å; T1085-S1089 PolarHBondContact O-OG 3.3Å |
| 1086 | Y | 93.7 | Very high | 88.8 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 175.2 | 179.4 | -86.8 | 0 | 0 | 0 | 112.4 | N1080 D1082 L1083 K1084 S1089 R1090 G1102 M1111 V1139 | N1080-Y1086 HydrophobicContact CB-CD2 3.96Å; N1080-Y1086 HydrophobicContact CB-CE2 4.28Å; D1082-Y1086 WeakPolarHBondContact O-CB 3.46Å; D1082-Y1086 PolarHBondContact O-N 3.42Å; L1083-Y1086 HydrophobicContact CD1-CD1 4.06Å; L1083-Y1086 WeakPolarHBondContact O-CB 3.41Å; L1083-Y1086 PolarHBondContact O-N 3.21Å; K1084-Y1086 VanDerWaalsContact C-N 3.33Å; Y1086-S1089 PolarHBondContact O-OG 3.17Å; Y1086-R1090 VanDerWaalsContact CD2-CZ 3.47Å; Y1086-R1090 VanDerWaalsContact CE2-NH2 3.3Å; Y1086-R1090 VanDerWaalsContact CZ-NE 3.27Å; Y1086-R1090 PolarHBondContact O-N 2.77Å; Y1086-R1090 PolarHBondContact O-NH1 3.11Å; Y1086-R1090 PolarHBondContact OH-NE 3.04Å; Y1086-G1102 PolarHBondContact OH-O 2.99Å; Y1086-M1111 HydrophobicContact CD1-CE 4.31Å; Y1086-M1111 HydrophobicContact CE1-CE 3.53Å; Y1086-M1111 HydrophobicContact CE1-SD 4.2Å; Y1086-V1139 HydrophobicContact CD2-CB 4.24Å; Y1086-V1139 HydrophobicContact CD2-CG1 4.08Å; Y1086-V1139 HydrophobicContact CD2-CG2 4.23Å; Y1086-V1139 HydrophobicContact CE2-CG1 4.05Å; Y1086-V1139 HydrophobicContact CG-CG2 4.03Å |
| 1087 | L | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -47.2 | 179 | -69.5 | 167.6 | 0 | 0 | 0 | 111.5 | L1083 K1084 T1085 S1089 R1090 R1091 L1108 I1204 F1207 | L1083-L1087 HydrophobicContact CD1-CD1 4.15Å; L1083-L1087 HydrophobicContact CD1-CD2 4.44Å; L1083-L1087 HydrophobicContact CD1-CG 3.97Å; L1083-L1087 HydrophobicContact CG-CD1 3.95Å; L1083-L1087 HydrophobicContact CG-CG 4.25Å; L1083-L1087 WeakPolarHBondContact O-CB 3.36Å; L1083-L1087 WeakPolarHBondContact O-CG 3.48Å; L1083-L1087 PolarHBondContact O-N 3.19Å; K1084-L1087 PolarHBondContact O-N 2.96Å; T1085-L1087 PolarHBondContact O-N 3.13Å; L1087-S1089 VanDerWaalsContact C-N 3.34Å; L1087-S1089 PolarHBondContact O-N 3.15Å; L1087-R1090 CarbonylContact O-C 3.53Å; L1087-R1090 PolarHBondContact O-N 3.27Å; L1087-R1091 PolarHBondContact O-N 3.08Å; L1087-R1091 VanDerWaalsContact O-N 3.07Å; L1087-L1108 HydrophobicContact CD2-CD2 3.88Å; L1087-I1204 HydrophobicContact CD1-CB 4.46Å; L1087-I1204 HydrophobicContact CD1-CG1 4.22Å; L1087-F1207 HydrophobicContact CB-CB 4.44Å; L1087-F1207 HydrophobicContact CB-CD1 4.25Å; L1087-F1207 HydrophobicContact CB-CG 4.48Å; L1087-F1207 HydrophobicContact CD2-CD1 4.19Å; L1087-F1207 HydrophobicContact CD2-CE1 4.11Å; L1087-F1207 HydrophobicContact CD2-CE2 4.48Å; L1087-F1207 HydrophobicContact CD2-CG 4.4Å; L1087-F1207 HydrophobicContact CD2-CZ 4.25Å; L1087-F1207 WeakPolarHBondContact O-CD1 3.02Å |
| 1088 | L | 88 | Confident | 87.6 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | -179.6 | -74.8 | 170.7 | 0 | 0 | 0 | 112 | K1084 T1085 R1090 R1091 F1207 | K1084-L1088 HydrophobicContact CG-CD1 3.93Å; K1084-L1088 WeakPolarHBondContact O-CB 3.35Å; K1084-L1088 VanDerWaalsContact O-CG 3.3Å; K1084-L1088 WeakPolarHBondContact O-CG 3.36Å; K1084-L1088 PolarHBondContact O-N 2.97Å; T1085-L1088 PolarHBondContact O-N 3.46Å; L1088-R1090 PolarHBondContact O-N 3.49Å; L1088-R1091 WeakPolarHBondContact O-CB 3.4Å; L1088-R1091 PolarHBondContact O-N 3.44Å; L1088-F1207 WeakPolarHBondContact CD2-O 3.44Å |
| 1089 | S | 86.4 | Confident | 87 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 57% | 0.573 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.5 | -21.3 | 177.6 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | T1085 Y1086 L1087 | T1085-S1089 WeakPolarHBondContact O-CB 3.42Å; T1085-S1089 PolarHBondContact O-N 3.19Å; T1085-S1089 PolarHBondContact O-OG 3.3Å; Y1086-S1089 PolarHBondContact O-OG 3.17Å; L1087-S1089 VanDerWaalsContact C-N 3.34Å; L1087-S1089 PolarHBondContact O-N 3.15Å |
| 1090 | R | 89 | Confident | 86.9 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 9.3 | 179.3 | -68.7 | 168.4 | 176.3 | 69.7 | -1.3 | 113.4 | Y1086 L1087 L1088 V1092 L1093 A1094 V1103 | Y1086-R1090 VanDerWaalsContact CD2-CZ 3.47Å; Y1086-R1090 VanDerWaalsContact CE2-NH2 3.3Å; Y1086-R1090 VanDerWaalsContact CZ-NE 3.27Å; Y1086-R1090 PolarHBondContact O-N 2.77Å; Y1086-R1090 PolarHBondContact O-NH1 3.11Å; Y1086-R1090 PolarHBondContact OH-NE 3.04Å; L1087-R1090 CarbonylContact O-C 3.53Å; L1087-R1090 PolarHBondContact O-N 3.27Å; L1088-R1090 PolarHBondContact O-N 3.49Å; R1090-V1092 VanDerWaalsContact C-N 3.35Å; R1090-V1092 PolarHBondContact O-N 3.24Å; R1090-L1093 HydrophobicContact CB-CB 4.44Å; R1090-L1093 HydrophobicContact CB-CD2 4.5Å; R1090-L1093 HydrophobicContact CG-CD2 4.29Å; R1090-L1093 WeakPolarHBondContact O-CB 3.45Å; R1090-L1093 PolarHBondContact O-N 3.17Å; R1090-A1094 WeakPolarHBondContact O-CB 3.35Å; R1090-A1094 PolarHBondContact O-N 2.88Å; R1090-V1103 HydrophobicContact CB-CG1 3.67Å; R1090-V1103 HydrophobicContact CG-CG1 4.32Å |
| 1091 | R | 84.5 | Confident | 86.6 | Confident | 73 Ų | 73 | 64 Ų | 64 | 28% | 0.275 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 179.8 | -170.1 | -178.2 | 179.8 | 83.5 | 6.2 | 112.2 | L1087 L1088 A1094 Q1095 T1206 F1207 L1281 | L1087-R1091 PolarHBondContact O-N 3.08Å; L1087-R1091 VanDerWaalsContact O-N 3.07Å; L1088-R1091 WeakPolarHBondContact O-CB 3.4Å; L1088-R1091 PolarHBondContact O-N 3.44Å; R1091-A1094 PolarHBondContact O-N 3.19Å; R1091-Q1095 WeakPolarHBondContact O-CG 3.29Å; R1091-Q1095 PolarHBondContact O-N 2.93Å; R1091-Q1095 VanDerWaalsContact O-N 3.15Å; R1091-T1206 PolarHBondContact NH1-O 3Å; R1091-F1207 HydrophobicContact CG-CB 4.41Å; R1091-L1281 HydrophobicContact CG-CD1 4.19Å; R1091-L1281 HydrophobicContact CG-CD2 4.29Å; R1091-L1281 WeakPolarHBondContact O-CD1 3.43Å |
| 1092 | V | 80.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | R1090 A1094 Q1095 Q1096 | R1090-V1092 VanDerWaalsContact C-N 3.35Å; R1090-V1092 PolarHBondContact O-N 3.24Å; V1092-A1094 PolarHBondContact O-N 2.94Å; V1092-Q1095 PolarHBondContact O-N 3.5Å; V1092-Q1096 HydrophobicContact CG1-CG 4.47Å; V1092-Q1096 WeakPolarHBondContact O-CG 3.38Å; V1092-Q1096 PolarHBondContact O-N 3.2Å |
| 1093 | L | 80.8 | Confident | 86 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 176.8 | 180 | 65.2 | 0 | 0 | 0 | 111.4 | R1090 Q1095 Q1096 V1097 H1100 V1103 | R1090-L1093 HydrophobicContact CB-CB 4.44Å; R1090-L1093 HydrophobicContact CB-CD2 4.5Å; R1090-L1093 HydrophobicContact CG-CD2 4.29Å; R1090-L1093 WeakPolarHBondContact O-CB 3.45Å; R1090-L1093 PolarHBondContact O-N 3.17Å; L1093-Q1095 VanDerWaalsContact C-N 3.26Å; L1093-Q1095 PolarHBondContact O-N 3.43Å; L1093-Q1096 PolarHBondContact O-N 2.94Å; L1093-V1097 HydrophobicContact CD1-CB 4.44Å; L1093-V1097 CarbonylContact O-C 3.6Å; L1093-V1097 WeakPolarHBondContact O-CA 3.29Å; L1093-V1097 PolarHBondContact O-N 2.8Å; L1093-H1100 HydrophobicContact CD1-CB 4.26Å; L1093-H1100 HydrophobicContact CD2-CB 4.38Å; L1093-H1100 HydrophobicContact CG-CB 4.25Å; L1093-V1103 HydrophobicContact CD2-CG2 4.47Å; L1093-V1103 HydrophobicContact CG-CG2 4.39Å |
| 1094 | A | 82.4 | Confident | 85.8 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -23.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1090 R1091 V1092 P1098 V1103 F1207 P1279 L1281 | R1090-A1094 WeakPolarHBondContact O-CB 3.35Å; R1090-A1094 PolarHBondContact O-N 2.88Å; R1091-A1094 PolarHBondContact O-N 3.19Å; V1092-A1094 PolarHBondContact O-N 2.94Å; A1094-P1098 WeakPolarHBondContact O-CA 3.42Å; A1094-P1098 WeakPolarHBondContact O-CB 3.42Å; A1094-V1103 HydrophobicContact CB-CB 4.21Å; A1094-V1103 HydrophobicContact CB-CG1 4.4Å; A1094-V1103 HydrophobicContact CB-CG2 4.11Å; A1094-F1207 HydrophobicContact CB-CD1 4.1Å; A1094-F1207 HydrophobicContact CB-CE1 3.37Å; A1094-F1207 HydrophobicContact CB-CE2 4.43Å; A1094-F1207 HydrophobicContact CB-CZ 3.58Å; A1094-P1279 HydrophobicContact CB-CB 4.08Å; A1094-P1279 HydrophobicContact CB-CG 3.95Å; A1094-L1281 HydrophobicContact CB-CD1 3.6Å |
| 1095 | Q | 81.6 | Confident | 85.8 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -76.3 | -39.4 | 171.7 | -72.6 | 175.3 | -32.2 | 0 | 0 | 112.3 | R1091 V1092 L1093 L1281 | R1091-Q1095 WeakPolarHBondContact O-CG 3.29Å; R1091-Q1095 PolarHBondContact O-N 2.93Å; R1091-Q1095 VanDerWaalsContact O-N 3.15Å; V1092-Q1095 PolarHBondContact O-N 3.5Å; L1093-Q1095 VanDerWaalsContact C-N 3.26Å; L1093-Q1095 PolarHBondContact O-N 3.43Å; Q1095-L1281 HydrophobicContact CG-CB 3.87Å; Q1095-L1281 HydrophobicContact CG-CD1 3.57Å; Q1095-L1281 HydrophobicContact CG-CG 4.36Å |
| 1096 | Q | 82.4 | Confident | 86 | Confident | 148 Ų | 148 | 60 Ų | 60 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -84.6 | -40.2 | -175.2 | -69 | 177.8 | -15.7 | 0 | 0 | 112.7 | V1092 L1093 | V1092-Q1096 HydrophobicContact CG1-CG 4.47Å; V1092-Q1096 WeakPolarHBondContact O-CG 3.38Å; V1092-Q1096 PolarHBondContact O-N 3.2Å; L1093-Q1096 PolarHBondContact O-N 2.94Å |
| 1097 | V | 83.2 | Confident | 86 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | trans | -139.5 | 74.9 | -174.6 | -167.4 | 0 | 0 | 0 | 0 | 108.3 | L1093 D1099 H1100 | L1093-V1097 HydrophobicContact CD1-CB 4.44Å; L1093-V1097 CarbonylContact O-C 3.6Å; L1093-V1097 WeakPolarHBondContact O-CA 3.29Å; L1093-V1097 PolarHBondContact O-N 2.8Å; V1097-D1099 PolarHBondContact O-N 2.97Å; V1097-D1099 VanDerWaalsContact O-N 3.15Å; V1097-H1100 HydrophobicContact CB-CB 4.2Å; V1097-H1100 HydrophobicContact CG1-CB 3.93Å; V1097-H1100 VanDerWaalsContact O-CB 3.28Å; V1097-H1100 WeakPolarHBondContact O-CB 3.39Å; V1097-H1100 PolarHBondContact O-N 2.65Å; V1097-H1100 VanDerWaalsContact O-N 3.07Å | ||
| 1098 | P | 79.2 | Confident | 86.1 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.6 | -177.5 | 23 | -33 | 0 | 0 | 0 | 113.3 | A1094 H1100 C1104 | A1094-P1098 WeakPolarHBondContact O-CA 3.42Å; A1094-P1098 WeakPolarHBondContact O-CB 3.42Å; P1098-H1100 VanDerWaalsContact C-N 3.35Å; P1098-C1104 VanDerWaalsContact O-CA 3.31Å; P1098-C1104 WeakPolarHBondContact O-CA 3.46Å |
| 1099 | D | 80.4 | Confident | 86.6 | Confident | 114 Ų | 114 | 57.7 Ų | 57.7 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6 | 178.6 | -61.3 | -38 | 0 | 0 | 0 | 113.9 | V1097 D1101 | V1097-D1099 PolarHBondContact O-N 2.97Å; V1097-D1099 VanDerWaalsContact O-N 3.15Å; D1099-D1101 PolarHBondContact O-N 3.4Å |
| 1100 | H | 87.2 | Confident | 87.1 | Confident | 82 Ų | 82 | 55.1 Ų | 55.1 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -62 | 133.2 | 176.3 | 177.5 | -73 | 0 | 0 | 0 | 110.6 | L1093 V1097 P1098 G1102 V1103 C1104 | L1093-H1100 HydrophobicContact CD1-CB 4.26Å; L1093-H1100 HydrophobicContact CD2-CB 4.38Å; L1093-H1100 HydrophobicContact CG-CB 4.25Å; V1097-H1100 HydrophobicContact CB-CB 4.2Å; V1097-H1100 HydrophobicContact CG1-CB 3.93Å; V1097-H1100 VanDerWaalsContact O-CB 3.28Å; V1097-H1100 WeakPolarHBondContact O-CB 3.39Å; V1097-H1100 PolarHBondContact O-N 2.65Å; V1097-H1100 VanDerWaalsContact O-N 3.07Å; P1098-H1100 VanDerWaalsContact C-N 3.35Å; H1100-G1102 PolarHBondContact ND1-N 3.34Å; H1100-G1102 VanDerWaalsContact ND1-N 3.13Å; H1100-G1102 PolarHBondContact O-N 2.87Å; H1100-V1103 HydrophobicContact CB-CG2 3.97Å; H1100-V1103 CarbonylContact O-C 3.51Å; H1100-V1103 WeakPolarHBondContact O-CG2 3.28Å; H1100-V1103 PolarHBondContact O-N 3.11Å; H1100-C1104 PolarHBondContact O-N 3.06Å |
| 1101 | D | 84.2 | Confident | 87.5 | Confident | 133 Ų | 133 | 52.3 Ų | 52.3 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | -40.4 | -172.6 | -63.8 | -23.2 | 0 | 0 | 0 | 114.6 | D1099 V1103 T1107 | D1099-D1101 PolarHBondContact O-N 3.4Å; D1101-V1103 VanDerWaalsContact C-N 3.3Å; D1101-V1103 PolarHBondContact O-N 3.21Å; D1101-T1107 VanDerWaalsContact O-CB 3.23Å; D1101-T1107 WeakPolarHBondContact O-CB 3.43Å; D1101-T1107 WeakPolarHBondContact O-CG2 3.46Å; D1101-T1107 PolarHBondContact O-OG1 3.48Å |
| 1102 | G | 84 | Confident | 88.1 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -9.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y1086 H1100 | Y1086-G1102 PolarHBondContact OH-O 2.99Å; H1100-G1102 PolarHBondContact ND1-N 3.34Å; H1100-G1102 VanDerWaalsContact ND1-N 3.13Å; H1100-G1102 PolarHBondContact O-N 2.87Å |
| 1103 | V | 88.7 | Confident | 89 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | 1.5 | -175.8 | -65.9 | 0 | 0 | 0 | 0 | 114.2 | R1090 L1093 A1094 H1100 D1101 L1108 F1207 | R1090-V1103 HydrophobicContact CB-CG1 3.67Å; R1090-V1103 HydrophobicContact CG-CG1 4.32Å; L1093-V1103 HydrophobicContact CD2-CG2 4.47Å; L1093-V1103 HydrophobicContact CG-CG2 4.39Å; A1094-V1103 HydrophobicContact CB-CB 4.21Å; A1094-V1103 HydrophobicContact CB-CG1 4.4Å; A1094-V1103 HydrophobicContact CB-CG2 4.11Å; H1100-V1103 HydrophobicContact CB-CG2 3.97Å; H1100-V1103 CarbonylContact O-C 3.51Å; H1100-V1103 WeakPolarHBondContact O-CG2 3.28Å; H1100-V1103 PolarHBondContact O-N 3.11Å; D1101-V1103 VanDerWaalsContact C-N 3.3Å; D1101-V1103 PolarHBondContact O-N 3.21Å; V1103-L1108 VanDerWaalsContact O-CD1 3.25Å; V1103-L1108 WeakPolarHBondContact O-CD1 3.31Å; V1103-L1108 WeakPolarHBondContact O-CG 3.39Å; V1103-F1207 HydrophobicContact CB-CE1 4.3Å; V1103-F1207 HydrophobicContact CB-CZ 4.11Å; V1103-F1207 HydrophobicContact CG1-CE1 3.85Å; V1103-F1207 HydrophobicContact CG1-CZ 4.13Å |
| 1104 | C | 91.3 | Very high | 89.8 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -62.6 | 156.2 | 179.3 | 72.7 | 0 | 0 | 0 | 0 | 111.2 | P1098 H1100 A1106 T1107 L1108 | P1098-C1104 VanDerWaalsContact O-CA 3.31Å; P1098-C1104 WeakPolarHBondContact O-CA 3.46Å; H1100-C1104 PolarHBondContact O-N 3.06Å; C1104-A1106 VanDerWaalsContact C-N 3.26Å; C1104-A1106 PolarHBondContact O-N 3.17Å; C1104-T1107 PolarHBondContact O-N 3.05Å; C1104-T1107 PolarHBondContact SG-OG1 3.11Å; C1104-L1108 PolarHBondContact O-N 2.86Å |
| 1105 | P | 92.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.6 | -39.1 | -175.4 | -29 | 36.4 | 0 | 0 | 0 | 114.4 | L1108 T1109 D1275 V1277 R1278 | P1105-L1108 PolarHBondContact O-N 3.46Å; P1105-T1109 VanDerWaalsContact O-CB 3.31Å; P1105-T1109 WeakPolarHBondContact O-CB 3.35Å; P1105-T1109 PolarHBondContact O-N 3.41Å; P1105-T1109 PolarHBondContact O-OG1 3.02Å; P1105-D1275 HydrophobicContact CB-CB 3.85Å; P1105-V1277 CarbonylContact C-O 3.58Å; P1105-V1277 WeakPolarHBondContact CA-O 3.28Å; P1105-V1277 VanDerWaalsContact O-O 3.06Å; P1105-R1278 HydrophobicContact CB-CB 4.08Å; P1105-R1278 HydrophobicContact CG-CB 3.91Å |
| 1106 | A | 91.8 | Very high | 91.4 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1104 T1109 G1110 P1274 | C1104-A1106 VanDerWaalsContact C-N 3.26Å; C1104-A1106 PolarHBondContact O-N 3.17Å; A1106-T1109 PolarHBondContact O-N 2.61Å; A1106-G1110 PolarHBondContact O-N 3.39Å; A1106-P1274 WeakPolarHBondContact CA-O 3.13Å |
| 1107 | T | 94.5 | Very high | 92.1 | Very high | 45 Ų | 45 | 33.2 Ų | 33.2 | 28% | 0.276 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.6 | -46 | 178 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | D1101 C1104 T1109 G1110 M1111 | D1101-T1107 VanDerWaalsContact O-CB 3.23Å; D1101-T1107 WeakPolarHBondContact O-CB 3.43Å; D1101-T1107 WeakPolarHBondContact O-CG2 3.46Å; D1101-T1107 PolarHBondContact O-OG1 3.48Å; C1104-T1107 PolarHBondContact O-N 3.05Å; C1104-T1107 PolarHBondContact SG-OG1 3.11Å; T1107-T1109 VanDerWaalsContact C-N 3.32Å; T1107-T1109 PolarHBondContact O-N 3.26Å; T1107-G1110 WeakPolarHBondContact O-CA 3.47Å; T1107-G1110 PolarHBondContact O-N 2.73Å; T1107-G1110 VanDerWaalsContact O-N 3.16Å; T1107-M1111 HydrophobicContact CG2-CE 3.7Å; T1107-M1111 HydrophobicContact CG2-SD 4.43Å; T1107-M1111 WeakPolarHBondContact O-CG 3.48Å; T1107-M1111 PolarHBondContact O-N 3.14Å |
| 1108 | L | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -36.5 | 178.7 | -65 | 175.6 | 0 | 0 | 0 | 112.2 | L1087 V1103 C1104 P1105 M1111 A1112 I1204 F1207 V1277 P1279 | L1087-L1108 HydrophobicContact CD2-CD2 3.88Å; V1103-L1108 VanDerWaalsContact O-CD1 3.25Å; V1103-L1108 WeakPolarHBondContact O-CD1 3.31Å; V1103-L1108 WeakPolarHBondContact O-CG 3.39Å; C1104-L1108 PolarHBondContact O-N 2.86Å; P1105-L1108 PolarHBondContact O-N 3.46Å; L1108-M1111 HydrophobicContact CD2-SD 4.23Å; L1108-M1111 PolarHBondContact O-N 3.28Å; L1108-A1112 PolarHBondContact O-N 3.23Å; L1108-I1204 HydrophobicContact CB-CG2 4.37Å; L1108-I1204 HydrophobicContact CD2-CG2 4.21Å; L1108-F1207 HydrophobicContact CD1-CE2 3.76Å; L1108-F1207 HydrophobicContact CD1-CZ 3.86Å; L1108-F1207 HydrophobicContact CD2-CE2 4.47Å; L1108-F1207 HydrophobicContact CD2-CZ 4.18Å; L1108-V1277 HydrophobicContact CB-CB 4.19Å; L1108-V1277 HydrophobicContact CB-CG1 3.8Å; L1108-P1279 HydrophobicContact CD1-CG 3.98Å |
| 1109 | T | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 173.8 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | P1105 A1106 T1107 A1112 I1113 L1270 P1274 V1277 | P1105-T1109 VanDerWaalsContact O-CB 3.31Å; P1105-T1109 WeakPolarHBondContact O-CB 3.35Å; P1105-T1109 PolarHBondContact O-N 3.41Å; P1105-T1109 PolarHBondContact O-OG1 3.02Å; A1106-T1109 PolarHBondContact O-N 2.61Å; T1107-T1109 VanDerWaalsContact C-N 3.32Å; T1107-T1109 PolarHBondContact O-N 3.26Å; T1109-A1112 PolarHBondContact O-N 3.44Å; T1109-I1113 HydrophobicContact CG2-CD1 4.12Å; T1109-I1113 VanDerWaalsContact O-CG1 3.29Å; T1109-I1113 WeakPolarHBondContact O-CG1 3.28Å; T1109-I1113 PolarHBondContact O-N 2.85Å; T1109-L1270 HydrophobicContact CG2-CB 4.22Å; T1109-L1270 HydrophobicContact CG2-CD2 4.36Å; T1109-P1274 WeakPolarHBondContact CB-O 3.41Å; T1109-P1274 WeakPolarHBondContact CG2-O 3.36Å; T1109-P1274 PolarHBondContact OG1-O 3.27Å; T1109-V1277 HydrophobicContact CG2-CG2 4.33Å; T1109-V1277 WeakPolarHBondContact OG1-CB 3.01Å; T1109-V1277 PolarHBondContact OG1-N 3.37Å; T1109-V1277 VanDerWaalsContact OG1-N 3.11Å; T1109-V1277 PolarHBondContact OG1-O 3.41Å |
| 1110 | G | 96.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 28% | 0.278 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1106 T1107 A1112 I1113 D1114 | A1106-G1110 PolarHBondContact O-N 3.39Å; T1107-G1110 WeakPolarHBondContact O-CA 3.47Å; T1107-G1110 PolarHBondContact O-N 2.73Å; T1107-G1110 VanDerWaalsContact O-N 3.16Å; G1110-A1112 VanDerWaalsContact C-N 3.32Å; G1110-A1112 PolarHBondContact O-N 2.9Å; G1110-I1113 WeakPolarHBondContact O-CB 3.37Å; G1110-I1113 PolarHBondContact O-N 3.28Å; G1110-I1113 VanDerWaalsContact O-N 3.14Å; G1110-D1114 PolarHBondContact O-N 2.7Å |
| 1111 | M | 97.8 | Very high | 95 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 175.5 | -67.8 | 177.2 | 175 | 0 | 0 | 112.3 | L1083 Y1086 T1107 L1108 D1114 I1115 V1139 V1145 | L1083-M1111 HydrophobicContact CD1-SD 3.87Å; Y1086-M1111 HydrophobicContact CD1-CE 4.31Å; Y1086-M1111 HydrophobicContact CE1-CE 3.53Å; Y1086-M1111 HydrophobicContact CE1-SD 4.2Å; T1107-M1111 HydrophobicContact CG2-CE 3.7Å; T1107-M1111 HydrophobicContact CG2-SD 4.43Å; T1107-M1111 WeakPolarHBondContact O-CG 3.48Å; T1107-M1111 PolarHBondContact O-N 3.14Å; L1108-M1111 HydrophobicContact CD2-SD 4.23Å; L1108-M1111 PolarHBondContact O-N 3.28Å; M1111-D1114 PolarHBondContact O-N 3.26Å; M1111-I1115 VanDerWaalsContact O-CG1 3.32Å; M1111-I1115 WeakPolarHBondContact O-CG1 3.1Å; M1111-I1115 PolarHBondContact O-N 2.88Å; M1111-V1139 HydrophobicContact CE-CG1 4.5Å; M1111-V1145 HydrophobicContact CB-CG2 3.71Å; M1111-V1145 HydrophobicContact CG-CG2 3.58Å; M1111-V1145 HydrophobicContact SD-CG2 4.46Å |
| 1112 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1108 T1109 G1110 A1116 Y1197 L1201 I1204 L1270 V1277 | L1108-A1112 PolarHBondContact O-N 3.23Å; T1109-A1112 PolarHBondContact O-N 3.44Å; G1110-A1112 VanDerWaalsContact C-N 3.32Å; G1110-A1112 PolarHBondContact O-N 2.9Å; A1112-A1116 WeakPolarHBondContact O-CB 3.17Å; A1112-A1116 PolarHBondContact O-N 2.97Å; A1112-A1116 VanDerWaalsContact O-N 3.12Å; A1112-Y1197 PolarHBondContact O-OH 2.85Å; A1112-L1201 HydrophobicContact CB-CD2 3.78Å; A1112-I1204 HydrophobicContact CB-CD1 4.28Å; A1112-L1270 HydrophobicContact CB-CD1 4.05Å; A1112-V1277 HydrophobicContact CB-CG2 4.09Å |
| 1113 | I | 98.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 13.1 Ų | 13.1 | 11% | 0.113 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 174.6 | -71 | 165.7 | 0 | 0 | 0 | 110.4 | T1109 G1110 I1115 A1116 E1117 L1270 R1271 | T1109-I1113 HydrophobicContact CG2-CD1 4.12Å; T1109-I1113 VanDerWaalsContact O-CG1 3.29Å; T1109-I1113 WeakPolarHBondContact O-CG1 3.28Å; T1109-I1113 PolarHBondContact O-N 2.85Å; G1110-I1113 WeakPolarHBondContact O-CB 3.37Å; G1110-I1113 PolarHBondContact O-N 3.28Å; G1110-I1113 VanDerWaalsContact O-N 3.14Å; I1113-I1115 VanDerWaalsContact C-N 3.34Å; I1113-I1115 PolarHBondContact O-N 2.83Å; I1113-A1116 PolarHBondContact O-N 3.02Å; I1113-A1116 VanDerWaalsContact O-N 3.11Å; I1113-E1117 HydrophobicContact CG2-CG 4.1Å; I1113-E1117 VanDerWaalsContact CG2-OE1 3.27Å; I1113-E1117 WeakPolarHBondContact CG2-OE1 3.16Å; I1113-E1117 WeakPolarHBondContact O-CB 3.33Å; I1113-E1117 WeakPolarHBondContact O-CG 3.44Å; I1113-E1117 PolarHBondContact O-N 2.99Å; I1113-L1270 HydrophobicContact CD1-CB 4Å; I1113-L1270 HydrophobicContact CG1-CB 3.62Å; I1113-L1270 HydrophobicContact CG1-CD1 3.91Å; I1113-L1270 HydrophobicContact CG1-CG 4.42Å; I1113-R1271 HydrophobicContact CD1-CG 3.93Å |
| 1114 | D | 98.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 20.2 Ų | 20.2 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.9 | -49.6 | 178 | -83 | -15.9 | 0 | 0 | 0 | 111.6 | N1055 G1110 M1111 A1116 E1117 G1118 I1144 V1145 | N1055-D1114 WeakPolarHBondContact CB-O 3.17Å; N1055-D1114 WeakPolarHBondContact ND2-CA 3.43Å; N1055-D1114 WeakPolarHBondContact ND2-CB 3.45Å; N1055-D1114 PolarHBondContact ND2-OD1 2.92Å; G1110-D1114 PolarHBondContact O-N 2.7Å; M1111-D1114 PolarHBondContact O-N 3.26Å; D1114-A1116 PolarHBondContact O-N 3.29Å; D1114-E1117 PolarHBondContact O-N 2.88Å; D1114-G1118 PolarHBondContact O-N 3.05Å; D1114-I1144 WeakPolarHBondContact OD2-CA 3.47Å; D1114-V1145 HydrophobicContact CB-CB 3.86Å; D1114-V1145 PolarHBondContact OD2-N 3.32Å |
| 1115 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 177.2 | -60.4 | 164.5 | 0 | 0 | 0 | 110.6 | L1083 M1111 I1113 E1117 G1118 L1119 C1137 V1145 I1147 Y1197 V1200 I1204 | L1083-I1115 HydrophobicContact CD2-CD1 3.67Å; M1111-I1115 VanDerWaalsContact O-CG1 3.32Å; M1111-I1115 WeakPolarHBondContact O-CG1 3.1Å; M1111-I1115 PolarHBondContact O-N 2.88Å; I1113-I1115 VanDerWaalsContact C-N 3.34Å; I1113-I1115 PolarHBondContact O-N 2.83Å; I1115-E1117 VanDerWaalsContact C-N 3.34Å; I1115-E1117 PolarHBondContact O-N 3.49Å; I1115-G1118 PolarHBondContact O-N 3.49Å; I1115-L1119 WeakPolarHBondContact O-CB 3.49Å; I1115-L1119 PolarHBondContact O-N 3.29Å; I1115-C1137 HydrophobicContact CD1-CB 4.2Å; I1115-C1137 HydrophobicContact CG1-CB 4.3Å; I1115-V1145 HydrophobicContact CD1-CG1 4.12Å; I1115-V1145 HydrophobicContact CG1-CB 4.27Å; I1115-V1145 HydrophobicContact CG1-CG1 3.61Å; I1115-I1147 HydrophobicContact CG2-CD1 4.3Å; I1115-I1147 HydrophobicContact CG2-CG1 4.41Å; I1115-I1147 WeakPolarHBondContact O-CD1 3.46Å; I1115-Y1197 HydrophobicContact CB-CE2 4.09Å; I1115-Y1197 HydrophobicContact CG2-CD2 3.89Å; I1115-Y1197 HydrophobicContact CG2-CE2 3.87Å; I1115-V1200 HydrophobicContact CD1-CG1 3.84Å; I1115-I1204 HydrophobicContact CD1-CD1 4.1Å |
| 1116 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1112 I1113 D1114 L1119 A1120 Y1197 L1263 I1267 | A1112-A1116 WeakPolarHBondContact O-CB 3.17Å; A1112-A1116 PolarHBondContact O-N 2.97Å; A1112-A1116 VanDerWaalsContact O-N 3.12Å; I1113-A1116 PolarHBondContact O-N 3.02Å; I1113-A1116 VanDerWaalsContact O-N 3.11Å; D1114-A1116 PolarHBondContact O-N 3.29Å; A1116-L1119 PolarHBondContact O-N 2.79Å; A1116-A1120 VanDerWaalsContact O-CB 3.26Å; A1116-A1120 WeakPolarHBondContact O-CB 3.34Å; A1116-A1120 PolarHBondContact O-N 3.22Å; A1116-Y1197 HydrophobicContact CB-CE2 3.85Å; A1116-L1263 HydrophobicContact CB-CD1 4.03Å; A1116-I1267 HydrophobicContact CB-CD1 4.05Å; A1116-I1267 HydrophobicContact CB-CG1 3.55Å |
| 1117 | E | 98.4 | Very high | 96.3 | Very high | 16 Ų | 16 | 25.5 Ų | 25.5 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.5 | -41.8 | 177.5 | -74 | 179.6 | -177.4 | 0 | 0 | 112 | R1054 N1055 I1113 D1114 I1115 L1119 A1120 Y1121 I1267 R1271 | R1054-E1117 IonicContact CZ-OE2 2.68Å; R1054-E1117 VanDerWaalsContact CZ-OE2 3.23Å; R1054-E1117 IonicContact NE-OE2 3.56Å; R1054-E1117 PolarHBondContact NE-OE2 3.47Å; R1054-E1117 VanDerWaalsContact NE-OE2 3.14Å; R1054-E1117 IonicContact NH2-OE1 2.67Å; R1054-E1117 PolarHBondContact NH2-OE1 3.03Å; R1054-E1117 IonicContact NH2-OE2 3.25Å; R1054-E1117 PolarHBondContact NH2-OE2 2.68Å; N1055-E1117 PolarHBondContact OD1-OE2 2.77Å; I1113-E1117 HydrophobicContact CG2-CG 4.1Å; I1113-E1117 VanDerWaalsContact CG2-OE1 3.27Å; I1113-E1117 WeakPolarHBondContact CG2-OE1 3.16Å; I1113-E1117 WeakPolarHBondContact O-CB 3.33Å; I1113-E1117 WeakPolarHBondContact O-CG 3.44Å; I1113-E1117 PolarHBondContact O-N 2.99Å; D1114-E1117 PolarHBondContact O-N 2.88Å; I1115-E1117 VanDerWaalsContact C-N 3.34Å; I1115-E1117 PolarHBondContact O-N 3.49Å; E1117-L1119 VanDerWaalsContact C-N 3.34Å; E1117-A1120 PolarHBondContact O-N 2.95Å; E1117-Y1121 WeakPolarHBondContact O-CB 3.46Å; E1117-Y1121 PolarHBondContact O-N 2.99Å; E1117-I1267 HydrophobicContact CG-CD1 3.78Å; E1117-I1267 HydrophobicContact CG-CG1 4.37Å; E1117-R1271 IonicContact OE1-CZ 3.67Å; E1117-R1271 IonicContact OE1-NE 3.02Å; E1117-R1271 IonicContact OE1-NH2 3.23Å; E1117-R1271 PolarHBondContact OE1-NH2 3.06Å |
| 1118 | G | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1114 I1115 Y1121 L1122 | D1114-G1118 PolarHBondContact O-N 3.05Å; I1115-G1118 PolarHBondContact O-N 3.49Å; G1118-Y1121 WeakPolarHBondContact O-CB 2.89Å; G1118-Y1121 PolarHBondContact O-N 2.91Å; G1118-L1122 WeakPolarHBondContact O-CG 3.2Å; G1118-L1122 PolarHBondContact O-N 2.81Å; G1118-L1122 VanDerWaalsContact O-N 3.1Å |
| 1119 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.2 | -40.5 | 179.9 | -170.1 | 55.7 | 0 | 0 | 0 | 112.2 | I1115 A1116 E1117 Y1121 L1122 H1123 H1129 I1132 I1147 D1193 L1263 | I1115-L1119 WeakPolarHBondContact O-CB 3.49Å; I1115-L1119 PolarHBondContact O-N 3.29Å; A1116-L1119 PolarHBondContact O-N 2.79Å; E1117-L1119 VanDerWaalsContact C-N 3.34Å; L1119-Y1121 VanDerWaalsContact C-N 3.28Å; L1119-Y1121 PolarHBondContact O-N 2.8Å; L1119-L1122 HydrophobicContact CD1-CD1 4.39Å; L1119-L1122 PolarHBondContact O-N 2.8Å; L1119-H1123 PolarHBondContact O-N 3.39Å; L1119-H1129 HydrophobicContact CD1-CB 4.29Å; L1119-I1132 HydrophobicContact CD1-CD1 3.8Å; L1119-I1132 HydrophobicContact CD1-CG1 3.91Å; L1119-I1132 HydrophobicContact CD2-CG1 4.17Å; L1119-I1147 HydrophobicContact CB-CD1 3.88Å; L1119-D1193 HydrophobicContact CD1-CB 4.19Å; L1119-D1193 HydrophobicContact CD2-CB 4.21Å; L1119-L1263 HydrophobicContact CB-CG 4.36Å; L1119-L1263 HydrophobicContact CD2-CD1 4.25Å; L1119-L1263 HydrophobicContact CD2-CD2 4.34Å; L1119-L1263 HydrophobicContact CD2-CG 4.31Å; L1119-L1263 HydrophobicContact CG-CD2 4.39Å; L1119-L1263 HydrophobicContact CG-CG 4.33Å |
| 1120 | A | 97.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1116 E1117 H1123 R1124 L1263 I1267 | A1116-A1120 VanDerWaalsContact O-CB 3.26Å; A1116-A1120 WeakPolarHBondContact O-CB 3.34Å; A1116-A1120 PolarHBondContact O-N 3.22Å; E1117-A1120 PolarHBondContact O-N 2.95Å; A1120-H1123 PolarHBondContact O-N 2.88Å; A1120-R1124 WeakPolarHBondContact O-CG 3.21Å; A1120-R1124 PolarHBondContact O-N 2.93Å; A1120-L1263 HydrophobicContact CB-CB 3.79Å; A1120-I1267 HydrophobicContact CB-CD1 4.36Å |
| 1121 | Y | 97.2 | Very high | 95.4 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 9% | 0.094 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.9 | 167.7 | -96.1 | 0 | 0 | 0 | 112 | L1051 D1052 H1053 V1056 E1117 G1118 L1119 H1123 R1124 K1125 | L1051-Y1121 WeakPolarHBondContact CA-OH 3.28Å; L1051-Y1121 HydrophobicContact CB-CE1 4.32Å; L1051-Y1121 HydrophobicContact CD2-CE1 3.99Å; D1052-Y1121 PolarHBondContact N-OH 3.41Å; H1053-Y1121 HydrophobicContact CB-CD1 3.61Å; H1053-Y1121 HydrophobicContact CB-CD2 3.95Å; H1053-Y1121 HydrophobicContact CB-CE1 3.82Å; H1053-Y1121 HydrophobicContact CB-CE2 4.14Å; H1053-Y1121 HydrophobicContact CB-CG 3.68Å; H1053-Y1121 AromaticContact CD2-CD2 3.77Å; H1053-Y1121 AromaticContact CD2-CG 3.79Å; H1053-Y1121 AromaticContact CG-CG 3.69Å; V1056-Y1121 HydrophobicContact CG2-CD1 3.91Å; V1056-Y1121 HydrophobicContact CG2-CE1 4.41Å; E1117-Y1121 WeakPolarHBondContact O-CB 3.46Å; E1117-Y1121 PolarHBondContact O-N 2.99Å; G1118-Y1121 WeakPolarHBondContact O-CB 2.89Å; G1118-Y1121 PolarHBondContact O-N 2.91Å; L1119-Y1121 VanDerWaalsContact C-N 3.28Å; L1119-Y1121 PolarHBondContact O-N 2.8Å; Y1121-H1123 PolarHBondContact O-N 2.81Å; Y1121-R1124 PolarHBondContact O-N 3.35Å; Y1121-K1125 HydrophobicContact CE1-CG 4.29Å; Y1121-K1125 HydrophobicContact CE2-CG 4.19Å; Y1121-K1125 PolarHBondContact O-N 3.35Å; Y1121-K1125 VanDerWaalsContact O-N 3.1Å; Y1121-K1125 VanDerWaalsContact OH-CE 3.22Å; Y1121-K1125 WeakPolarHBondContact OH-CE 3.36Å |
| 1122 | L | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.1 | -63.9 | 175.9 | 0 | 0 | 0 | 111.6 | L1051 V1056 G1118 L1119 R1124 K1125 N1126 L1127 H1129 I1147 F1150 | L1051-L1122 HydrophobicContact CD1-CD2 3.83Å; L1051-L1122 HydrophobicContact CD2-CD2 4.15Å; V1056-L1122 HydrophobicContact CG2-CD2 4.3Å; V1056-L1122 HydrophobicContact CG2-CG 4.4Å; G1118-L1122 WeakPolarHBondContact O-CG 3.2Å; G1118-L1122 PolarHBondContact O-N 2.81Å; G1118-L1122 VanDerWaalsContact O-N 3.1Å; L1119-L1122 HydrophobicContact CD1-CD1 4.39Å; L1119-L1122 PolarHBondContact O-N 2.8Å; L1122-R1124 VanDerWaalsContact C-N 3.32Å; L1122-R1124 PolarHBondContact O-N 2.85Å; L1122-K1125 CarbonylContact O-C 3.55Å; L1122-K1125 WeakPolarHBondContact O-CA 3.39Å; L1122-K1125 WeakPolarHBondContact O-CB 3.42Å; L1122-K1125 PolarHBondContact O-N 2.77Å; L1122-N1126 PolarHBondContact O-N 3Å; L1122-L1127 CarbonylContact C-O 3.52Å; L1122-L1127 HydrophobicContact CB-CB 4.26Å; L1122-L1127 HydrophobicContact CD2-CD1 4.18Å; L1122-L1127 WeakPolarHBondContact O-CB 3.45Å; L1122-L1127 PolarHBondContact O-N 3.48Å; L1122-H1129 HydrophobicContact CD1-CB 4.39Å; L1122-I1147 HydrophobicContact CD1-CG2 4.4Å; L1122-F1150 HydrophobicContact CD1-CE1 3.84Å; L1122-F1150 HydrophobicContact CD2-CE1 3.84Å |
| 1123 | H | 95.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 25 Ų | 25 | 9% | 0.093 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 177.7 | -66.2 | 174.1 | 0 | 0 | 0 | 112.3 | L1119 A1120 Y1121 K1125 N1126 L1127 V1190 D1193 | L1119-H1123 PolarHBondContact O-N 3.39Å; A1120-H1123 PolarHBondContact O-N 2.88Å; Y1121-H1123 PolarHBondContact O-N 2.81Å; H1123-K1125 PolarHBondContact O-N 2.86Å; H1123-N1126 WeakPolarHBondContact O-CA 3.42Å; H1123-N1126 PolarHBondContact O-N 3.39Å; H1123-L1127 PolarHBondContact CD2-O 3.07Å; H1123-V1190 HydrophobicContact CB-CG2 4.22Å; H1123-V1190 WeakPolarHBondContact ND1-CG1 3.39Å; H1123-D1193 IonicContact CD2-OD2 2.79Å; H1123-D1193 IonicContact CE1-OD2 3.19Å; H1123-D1193 WeakPolarHBondContact NE2-CB 3.23Å; H1123-D1193 IonicContact NE2-OD2 3.93Å; H1123-D1193 PolarHBondContact NE2-OD2 3.24Å |
| 1124 | R | 94.3 | Very high | 95 | Very high | 149 Ų | 149 | 24 Ų | 24 | 56% | 0.562 | 11% | 0.107 | S | C | * | . | H | α-helix | trans | -65.7 | -25.8 | 172.9 | -75.1 | -173.3 | -68.6 | -125.3 | 1.3 | 113.6 | A1120 Y1121 L1122 N1126 D1264 | A1120-R1124 WeakPolarHBondContact O-CG 3.21Å; A1120-R1124 PolarHBondContact O-N 2.93Å; Y1121-R1124 PolarHBondContact O-N 3.35Å; L1122-R1124 VanDerWaalsContact C-N 3.32Å; L1122-R1124 PolarHBondContact O-N 2.85Å; R1124-N1126 PolarHBondContact O-N 3.28Å; R1124-D1264 IonicContact NH1-OD1 2.69Å |
| 1125 | K | 92.4 | Very high | 94.7 | Very high | 101 Ų | 101 | 26.7 Ų | 26.7 | 44% | 0.439 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 9.6 | 170.2 | -70.1 | -72.1 | -170.2 | 165.8 | 0 | 112.5 | Y1121 L1122 H1123 L1127 | Y1121-K1125 HydrophobicContact CE1-CG 4.29Å; Y1121-K1125 HydrophobicContact CE2-CG 4.19Å; Y1121-K1125 PolarHBondContact O-N 3.35Å; Y1121-K1125 VanDerWaalsContact O-N 3.1Å; Y1121-K1125 VanDerWaalsContact OH-CE 3.22Å; Y1121-K1125 WeakPolarHBondContact OH-CE 3.36Å; L1122-K1125 CarbonylContact O-C 3.55Å; L1122-K1125 WeakPolarHBondContact O-CA 3.39Å; L1122-K1125 WeakPolarHBondContact O-CB 3.42Å; L1122-K1125 PolarHBondContact O-N 2.77Å; H1123-K1125 PolarHBondContact O-N 2.86Å; K1125-L1127 HydrophobicContact CB-CD1 4.02Å; K1125-L1127 HydrophobicContact CB-CG 4.17Å; K1125-L1127 PolarHBondContact O-N 2.91Å |
| 1126 | N | 90.2 | Very high | 94.4 | Very high | 96 Ų | 96 | 27.3 Ų | 27.3 | 51% | 0.513 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.3 | -174.5 | -61.1 | -38.6 | 0 | 0 | 0 | 113.1 | L1122 H1123 R1124 E1155 M1156 | L1122-N1126 PolarHBondContact O-N 3Å; H1123-N1126 WeakPolarHBondContact O-CA 3.42Å; H1123-N1126 PolarHBondContact O-N 3.39Å; R1124-N1126 PolarHBondContact O-N 3.28Å; N1126-E1155 CarbonylContact O-C 3.57Å; N1126-E1155 WeakPolarHBondContact O-CA 3.48Å; N1126-M1156 HydrophobicContact CB-CB 4.29Å; N1126-M1156 WeakPolarHBondContact O-CG 3.36Å; N1126-M1156 PolarHBondContact O-N 3.45Å |
| 1127 | L | 92.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.8 | 178 | -64.4 | 170.9 | 0 | 0 | 0 | 110.3 | L1047 L1051 L1122 H1123 K1125 T1153 R1154 E1155 | L1047-L1127 HydrophobicContact CD1-CD2 4.1Å; L1047-L1127 HydrophobicContact CD2-CD1 4.03Å; L1047-L1127 HydrophobicContact CG-CD1 4.47Å; L1047-L1127 HydrophobicContact CG-CD2 4.21Å; L1051-L1127 HydrophobicContact CD2-CD1 3.63Å; L1122-L1127 CarbonylContact C-O 3.52Å; L1122-L1127 HydrophobicContact CB-CB 4.26Å; L1122-L1127 HydrophobicContact CD2-CD1 4.18Å; L1122-L1127 WeakPolarHBondContact O-CB 3.45Å; L1122-L1127 PolarHBondContact O-N 3.48Å; H1123-L1127 PolarHBondContact CD2-O 3.07Å; K1125-L1127 HydrophobicContact CB-CD1 4.02Å; K1125-L1127 HydrophobicContact CB-CG 4.17Å; K1125-L1127 PolarHBondContact O-N 2.91Å; L1127-T1153 HydrophobicContact CB-CG2 4.07Å; L1127-T1153 HydrophobicContact CD2-CG2 4.34Å; L1127-R1154 WeakPolarHBondContact CA-O 3.25Å; L1127-E1155 HydrophobicContact CD2-CB 4.42Å; L1127-E1155 HydrophobicContact CD2-CG 3.59Å |
| 1128 | I | 91 | Very high | 94.2 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.2 | 168.6 | -54.7 | -55.6 | 0 | 0 | 0 | 108.1 | R1130 T1153 R1154 M1156 F1188 S1189 V1190 D1193 | I1128-R1130 HydrophobicContact CB-CG 4.31Å; I1128-R1130 HydrophobicContact CG2-CG 3.7Å; I1128-T1153 WeakPolarHBondContact O-CA 3.5Å; I1128-T1153 WeakPolarHBondContact O-CG2 3.37Å; I1128-R1154 PolarHBondContact N-O 2.78Å; I1128-R1154 PolarHBondContact O-N 3.46Å; I1128-M1156 HydrophobicContact CD1-CE 3.2Å; I1128-M1156 HydrophobicContact CD1-CG 3.98Å; I1128-M1156 HydrophobicContact CD1-SD 3.76Å; I1128-M1156 HydrophobicContact CG1-CE 3.99Å; I1128-M1156 HydrophobicContact CG1-CG 3.7Å; I1128-M1156 HydrophobicContact CG1-SD 4.16Å; I1128-F1188 HydrophobicContact CG2-CB 4.24Å; I1128-S1189 VanDerWaalsContact CD1-C 3.41Å; I1128-V1190 HydrophobicContact CD1-CB 4.45Å; I1128-V1190 HydrophobicContact CD1-CG2 3.8Å; I1128-V1190 VanDerWaalsContact CD1-N 3.26Å; I1128-D1193 WeakPolarHBondContact CG2-OD2 3.27Å |
| 1129 | H | 92 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -74.1 | -41.9 | -174.2 | -170.1 | -60.5 | 0 | 0 | 0 | 112.5 | L1119 L1122 D1131 I1132 I1147 G1148 D1149 T1153 D1193 | L1119-H1129 HydrophobicContact CD1-CB 4.29Å; L1122-H1129 HydrophobicContact CD1-CB 4.39Å; H1129-D1131 PolarHBondContact ND1-N 3.3Å; H1129-D1131 PolarHBondContact O-N 3.31Å; H1129-D1131 VanDerWaalsContact O-N 3.16Å; H1129-I1132 HydrophobicContact CB-CD1 3.63Å; H1129-I1132 HydrophobicContact CB-CG1 3.83Å; H1129-I1147 WeakPolarHBondContact CD2-CG2 3.41Å; H1129-I1147 VanDerWaalsContact NE2-CG2 3.26Å; H1129-I1147 WeakPolarHBondContact NE2-CG2 3.5Å; H1129-G1148 PolarHBondContact NE2-O 3.48Å; H1129-D1149 PolarHBondContact CE1-O 3.3Å; H1129-D1149 VanDerWaalsContact CE1-O 3.28Å; H1129-T1153 PolarHBondContact O-OG1 3.44Å; H1129-D1193 PolarHBondContact N-OD2 3.3Å | ||
| 1130 | R | 90.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 28.9 Ų | 28.9 | 18% | 0.181 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 68.3 | -2.1 | 177.8 | -49.4 | -175.5 | -177.4 | -175.6 | -5.6 | 117 | I1128 L1152 F1188 D1193 | I1128-R1130 HydrophobicContact CB-CG 4.31Å; I1128-R1130 HydrophobicContact CG2-CG 3.7Å; R1130-L1152 HydrophobicContact CB-CB 4.41Å; R1130-L1152 WeakPolarHBondContact CD-O 3.34Å; R1130-F1188 HydrophobicContact CB-CD1 3.8Å; R1130-F1188 HydrophobicContact CB-CE1 3.98Å; R1130-F1188 HydrophobicContact CB-CG 4.48Å; R1130-F1188 HydrophobicContact CG-CB 3.97Å; R1130-F1188 HydrophobicContact CG-CD1 3.59Å; R1130-F1188 HydrophobicContact CG-CE1 4.22Å; R1130-F1188 HydrophobicContact CG-CG 3.83Å; R1130-D1193 PolarHBondContact N-OD1 3.05Å |
| 1131 | D | 91 | Very high | 93.5 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | trans | -145.8 | 48.4 | 178.2 | -163.6 | 22.9 | 0 | 0 | 0 | 112.5 | H1129 A1133 R1135 N1136 L1152 P1174 | H1129-D1131 PolarHBondContact ND1-N 3.3Å; H1129-D1131 PolarHBondContact O-N 3.31Å; H1129-D1131 VanDerWaalsContact O-N 3.16Å; D1131-A1133 PolarHBondContact O-N 3.32Å; D1131-R1135 IonicContact OD1-CZ 3.51Å; D1131-R1135 IonicContact OD1-NH2 3.86Å; D1131-R1135 PolarHBondContact OD1-NH2 3.12Å; D1131-R1135 IonicContact OD2-CZ 2.69Å; D1131-R1135 IonicContact OD2-NH2 2.96Å; D1131-R1135 PolarHBondContact OD2-NH2 3.1Å; D1131-N1136 VanDerWaalsContact CG-ND2 3.27Å; D1131-N1136 PolarHBondContact O-ND2 3.07Å; D1131-N1136 PolarHBondContact OD2-ND2 2.71Å; D1131-L1152 HydrophobicContact CB-CD1 4.06Å; D1131-P1174 WeakPolarHBondContact OD1-CB 3.39Å; D1131-P1174 VanDerWaalsContact OD1-CG 3.23Å; D1131-P1174 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 1132 | I | 96.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -75.3 | 118.4 | 176.7 | -64.1 | -62.1 | 0 | 0 | 0 | 109.7 | L1119 H1129 I1147 V1200 | L1119-I1132 HydrophobicContact CD1-CD1 3.8Å; L1119-I1132 HydrophobicContact CD1-CG1 3.91Å; L1119-I1132 HydrophobicContact CD2-CG1 4.17Å; H1129-I1132 HydrophobicContact CB-CD1 3.63Å; H1129-I1132 HydrophobicContact CB-CG1 3.83Å; I1132-I1147 HydrophobicContact CD1-CD1 4.15Å; I1132-I1147 HydrophobicContact CD1-CG2 4.08Å; I1132-V1200 HydrophobicContact CG2-CG2 3.76Å | ||
| 1133 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -158.5 | 158.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D1131 R1135 N1136 C1137 W1177 V1200 | D1131-A1133 PolarHBondContact O-N 3.32Å; A1133-R1135 HydrophobicContact CB-CG 3.96Å; A1133-R1135 PolarHBondContact O-N 3.43Å; A1133-R1135 VanDerWaalsContact O-N 3.12Å; A1133-N1136 PolarHBondContact O-N 2.97Å; A1133-C1137 PolarHBondContact O-N 3.34Å; A1133-C1137 PolarHBondContact O-SG 2.72Å; A1133-W1177 HydrophobicContact CB-CD2 4.24Å; A1133-W1177 HydrophobicContact CB-CG 4.16Å; A1133-W1177 HydrophobicContact CB-CZ2 4.45Å; A1133-V1200 VanDerWaalsContact CA-CG2 3.44Å | ||
| 1134 | C | 95 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -58.9 | -28.3 | 177.7 | -78.3 | 0 | 0 | 0 | 0 | 113.4 | L1083 K1084 N1136 C1137 E1203 | L1083-C1134 HydrophobicContact CB-CB 4.41Å; L1083-C1134 WeakPolarHBondContact CB-O 3.39Å; L1083-C1134 HydrophobicContact CG-CB 4.49Å; L1083-C1134 PolarHBondContact N-O 3.48Å; K1084-C1134 HydrophobicContact CB-CB 3.87Å; K1084-C1134 PolarHBondContact N-O 2.8Å; C1134-N1136 PolarHBondContact O-N 3.39Å; C1134-C1137 PolarHBondContact O-N 3.47Å; C1134-E1203 HydrophobicContact CB-CB 4.3Å; C1134-E1203 PolarHBondContact N-OE2 3.46Å; C1134-E1203 VanDerWaalsContact N-OE2 3.11Å; C1134-E1203 VanDerWaalsContact SG-CB 3.5Å |
| 1135 | R | 92.1 | Very high | 93.1 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -68.2 | -20.6 | 176.4 | 68.6 | 179 | -171.2 | -78.8 | -7.8 | 114.1 | D1082 D1131 A1133 | D1082-R1135 WeakPolarHBondContact CB-O 3.1Å; D1131-R1135 IonicContact OD1-CZ 3.51Å; D1131-R1135 IonicContact OD1-NH2 3.86Å; D1131-R1135 PolarHBondContact OD1-NH2 3.12Å; D1131-R1135 IonicContact OD2-CZ 2.69Å; D1131-R1135 IonicContact OD2-NH2 2.96Å; D1131-R1135 PolarHBondContact OD2-NH2 3.1Å; A1133-R1135 HydrophobicContact CB-CG 3.96Å; A1133-R1135 PolarHBondContact O-N 3.43Å; A1133-R1135 VanDerWaalsContact O-N 3.12Å |
| 1136 | N | 92.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -104.5 | 2.9 | 179.4 | -67 | -12.5 | 0 | 0 | 0 | 111.8 | D1131 A1133 C1134 G1148 | D1131-N1136 VanDerWaalsContact CG-ND2 3.27Å; D1131-N1136 PolarHBondContact O-ND2 3.07Å; D1131-N1136 PolarHBondContact OD2-ND2 2.71Å; A1133-N1136 PolarHBondContact O-N 2.97Å; C1134-N1136 PolarHBondContact O-N 3.39Å; N1136-G1148 PolarHBondContact O-N 2.6Å |
| 1137 | C | 96.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122 | 172.3 | -59.4 | 0 | 0 | 0 | 0 | 108 | D1082 L1083 I1115 A1133 C1134 V1145 K1146 | D1082-C1137 CarbonylContact C-O 3.55Å; D1082-C1137 WeakPolarHBondContact CA-O 3.12Å; L1083-C1137 HydrophobicContact CB-CB 4.05Å; L1083-C1137 WeakPolarHBondContact CB-O 3.49Å; L1083-C1137 HydrophobicContact CD2-CB 4.26Å; L1083-C1137 PolarHBondContact N-O 3Å; I1115-C1137 HydrophobicContact CD1-CB 4.2Å; I1115-C1137 HydrophobicContact CG1-CB 4.3Å; A1133-C1137 PolarHBondContact O-N 3.34Å; A1133-C1137 PolarHBondContact O-SG 2.72Å; C1134-C1137 PolarHBondContact O-N 3.47Å; C1137-V1145 HydrophobicContact CB-CG1 3.72Å; C1137-K1146 CarbonylContact C-O 3.54Å |
| 1138 | L | 96 | Very high | 93.7 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 23% | 0.225 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 143.4 | -175.9 | -56 | -175.8 | 0 | 0 | 0 | 111.1 | V1057 M1078 G1081 D1082 V1145 K1146 | V1057-L1138 HydrophobicContact CG2-CD1 3.9Å; V1057-L1138 HydrophobicContact CG2-CG 4.39Å; M1078-L1138 HydrophobicContact CB-CB 3.62Å; M1078-L1138 HydrophobicContact CB-CD1 4.08Å; M1078-L1138 HydrophobicContact CB-CG 4.46Å; M1078-L1138 HydrophobicContact CE-CB 4.15Å; M1078-L1138 VanDerWaalsContact CE-O 3.28Å; M1078-L1138 WeakPolarHBondContact CE-O 3.19Å; M1078-L1138 HydrophobicContact CG-CB 3.58Å; M1078-L1138 HydrophobicContact CG-CD1 3.79Å; M1078-L1138 HydrophobicContact CG-CG 4.35Å; G1081-L1138 CarbonylContact O-C 3.59Å; G1081-L1138 WeakPolarHBondContact O-CA 3.29Å; D1082-L1138 HydrophobicContact CB-CD2 3.9Å; L1138-V1145 CarbonylContact O-C 3.45Å; L1138-V1145 WeakPolarHBondContact O-CA 3.28Å; L1138-K1146 PolarHBondContact N-O 2.99Å; L1138-K1146 PolarHBondContact O-N 2.86Å |
| 1139 | V | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.6 | -176.2 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | M1078 N1080 G1081 L1083 Y1086 M1111 V1145 | M1078-V1139 CarbonylContact C-O 3.42Å; N1080-V1139 HydrophobicContact CB-CB 3.74Å; N1080-V1139 HydrophobicContact CB-CG1 3.89Å; N1080-V1139 WeakPolarHBondContact CB-O 3.42Å; N1080-V1139 PolarHBondContact N-O 2.86Å; N1080-V1139 VanDerWaalsContact N-O 3.1Å; G1081-V1139 PolarHBondContact O-N 3.22Å; L1083-V1139 HydrophobicContact CB-CG2 4.05Å; L1083-V1139 HydrophobicContact CD1-CG2 3.81Å; Y1086-V1139 HydrophobicContact CD2-CB 4.24Å; Y1086-V1139 HydrophobicContact CD2-CG1 4.08Å; Y1086-V1139 HydrophobicContact CD2-CG2 4.23Å; Y1086-V1139 HydrophobicContact CE2-CG1 4.05Å; Y1086-V1139 HydrophobicContact CG-CG2 4.03Å; M1111-V1139 HydrophobicContact CE-CG1 4.5Å; V1139-V1145 HydrophobicContact CG2-CG2 4.3Å |
| 1140 | G | 92.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | trans | -75.5 | 168.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1080 D1142 G1143 I1144 | N1080-G1140 PolarHBondContact ND2-O 3.47Å; G1140-D1142 WeakPolarHBondContact CA-OD1 3.34Å; G1140-D1142 PolarHBondContact O-N 3.22Å; G1140-G1143 PolarHBondContact O-N 3.49Å; G1140-G1143 VanDerWaalsContact O-N 3.12Å; G1140-I1144 PolarHBondContact N-O 3.31Å | ||
| 1141 | S | 89.4 | Confident | 92.1 | Very high | 95 Ų | 95 | 26.1 Ų | 26.1 | 66% | 0.664 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.1 | 173.5 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | G1143 | S1141-G1143 VanDerWaalsContact C-N 3.3Š|
| 1142 | D | 90.2 | Very high | 91.3 | Very high | 107 Ų | 107 | 27.8 Ų | 27.8 | 57% | 0.572 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.2 | 173.7 | 56.4 | -3.3 | 0 | 0 | 0 | 113.3 | G1140 I1144 | G1140-D1142 WeakPolarHBondContact CA-OD1 3.34Å; G1140-D1142 PolarHBondContact O-N 3.22Å; D1142-I1144 VanDerWaalsContact C-N 3.31Å; D1142-I1144 HydrophobicContact CB-CG1 4.48Å; D1142-I1144 PolarHBondContact OD1-N 3.3Å; D1142-I1144 VanDerWaalsContact OD1-N 3.13Å; D1142-I1144 VanDerWaalsContact OD2-CD1 3.25Å; D1142-I1144 WeakPolarHBondContact OD2-CD1 3.47Å; D1142-I1144 WeakPolarHBondContact OD2-CG1 3.33Å |
| 1143 | G | 89.8 | Confident | 90.6 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 28% | 0.278 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 84.5 | -2.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1140 S1141 | G1140-G1143 PolarHBondContact O-N 3.49Å; G1140-G1143 VanDerWaalsContact O-N 3.12Å; S1141-G1143 VanDerWaalsContact C-N 3.3Å |
| 1144 | I | 96.2 | Very high | 89.8 | Confident | 50 Ų | 50 | 32 Ų | 32 | 26% | 0.256 | 18% | 0.177 | S | C | . | . | trans | -71.2 | 134.8 | 178.5 | -62.5 | -177.1 | 0 | 0 | 0 | 109.7 | D1114 G1140 D1142 K1146 | D1114-I1144 WeakPolarHBondContact OD2-CA 3.47Å; G1140-I1144 PolarHBondContact N-O 3.31Å; D1142-I1144 VanDerWaalsContact C-N 3.31Å; D1142-I1144 HydrophobicContact CB-CG1 4.48Å; D1142-I1144 PolarHBondContact OD1-N 3.3Å; D1142-I1144 VanDerWaalsContact OD1-N 3.13Å; D1142-I1144 VanDerWaalsContact OD2-CD1 3.25Å; D1142-I1144 WeakPolarHBondContact OD2-CD1 3.47Å; D1142-I1144 WeakPolarHBondContact OD2-CG1 3.33Å; I1144-K1146 HydrophobicContact CG2-CG 4.49Å | ||
| 1145 | V | 98 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.5 | 176.1 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | N1055 L1083 M1111 D1114 I1115 C1137 L1138 V1139 | N1055-V1145 WeakPolarHBondContact CA-O 3.33Å; N1055-V1145 PolarHBondContact ND2-O 2.71Å; L1083-V1145 HydrophobicContact CD2-CG1 4.42Å; M1111-V1145 HydrophobicContact CB-CG2 3.71Å; M1111-V1145 HydrophobicContact CG-CG2 3.58Å; M1111-V1145 HydrophobicContact SD-CG2 4.46Å; D1114-V1145 HydrophobicContact CB-CB 3.86Å; D1114-V1145 PolarHBondContact OD2-N 3.32Å; I1115-V1145 HydrophobicContact CD1-CG1 4.12Å; I1115-V1145 HydrophobicContact CG1-CB 4.27Å; I1115-V1145 HydrophobicContact CG1-CG1 3.61Å; C1137-V1145 HydrophobicContact CB-CG1 3.72Å; L1138-V1145 CarbonylContact O-C 3.45Å; L1138-V1145 WeakPolarHBondContact O-CA 3.28Å; V1139-V1145 HydrophobicContact CG2-CG2 4.3Å |
| 1146 | K | 98.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 37.9 Ų | 37.9 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.4 | 176.7 | -52.8 | -168.3 | -176.3 | -169.7 | 0 | 111.8 | R1054 N1055 V1057 E1076 M1078 C1137 L1138 I1144 | R1054-K1146 WeakPolarHBondContact O-CD 3.39Å; R1054-K1146 WeakPolarHBondContact O-CE 3.46Å; R1054-K1146 WeakPolarHBondContact O-CG 3.49Å; N1055-K1146 WeakPolarHBondContact O-CA 3.22Å; V1057-K1146 HydrophobicContact CG2-CB 3.79Å; E1076-K1146 WeakPolarHBondContact OE1-CD 3.45Å; E1076-K1146 IonicContact OE1-NZ 3.07Å; E1076-K1146 PolarHBondContact OE1-NZ 3.14Å; E1076-K1146 IonicContact OE2-NZ 3.73Å; E1076-K1146 PolarHBondContact OE2-NZ 2.77Å; M1078-K1146 HydrophobicContact CE-CB 3.87Å; M1078-K1146 HydrophobicContact CE-CD 3.78Å; M1078-K1146 HydrophobicContact CE-CG 3.56Å; M1078-K1146 HydrophobicContact SD-CD 3.94Å; M1078-K1146 HydrophobicContact SD-CG 4.38Å; C1137-K1146 CarbonylContact C-O 3.54Å; L1138-K1146 PolarHBondContact N-O 2.99Å; L1138-K1146 PolarHBondContact O-N 2.86Å; I1144-K1146 HydrophobicContact CG2-CG 4.49Å |
| 1147 | I | 97.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 133.5 | 174.5 | -60.4 | 177 | 0 | 0 | 0 | 109.9 | N1055 V1057 I1115 L1119 L1122 H1129 I1132 F1150 | N1055-I1147 PolarHBondContact O-N 2.95Å; V1057-I1147 WeakPolarHBondContact CG2-O 3.28Å; V1057-I1147 PolarHBondContact N-O 3.22Å; I1115-I1147 HydrophobicContact CG2-CD1 4.3Å; I1115-I1147 HydrophobicContact CG2-CG1 4.41Å; I1115-I1147 WeakPolarHBondContact O-CD1 3.46Å; L1119-I1147 HydrophobicContact CB-CD1 3.88Å; L1122-I1147 HydrophobicContact CD1-CG2 4.4Å; H1129-I1147 WeakPolarHBondContact CD2-CG2 3.41Å; H1129-I1147 VanDerWaalsContact NE2-CG2 3.26Å; H1129-I1147 WeakPolarHBondContact NE2-CG2 3.5Å; I1132-I1147 HydrophobicContact CD1-CD1 4.15Å; I1132-I1147 HydrophobicContact CD1-CG2 4.08Å; I1147-F1150 HydrophobicContact CG2-CZ 4.39Å |
| 1148 | G | 90.5 | Very high | 83.7 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -134.9 | -174.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | H1129 N1136 | H1129-G1148 PolarHBondContact NE2-O 3.48Å; N1136-G1148 PolarHBondContact O-N 2.6Å | ||
| 1149 | D | 83.9 | Confident | 81 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | trans | 60.4 | 76.3 | -176.1 | -156.7 | 16.1 | 0 | 0 | 0 | 114.8 | K1027 H1129 G1151 | K1027-D1149 IonicContact NZ-OD1 3.8Å; K1027-D1149 PolarHBondContact NZ-OD1 3.13Å; K1027-D1149 VanDerWaalsContact NZ-OD1 3.14Å; H1129-D1149 PolarHBondContact CE1-O 3.3Å; H1129-D1149 VanDerWaalsContact CE1-O 3.28Å; D1149-G1151 VanDerWaalsContact C-N 3.27Å; D1149-G1151 PolarHBondContact O-N 3.4Å | ||
| 1150 | F | 83.1 | Confident | 78.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | trans | -87.2 | 12.6 | -176 | -64.6 | -84.7 | 0 | 0 | 0 | 113.8 | E1044 L1047 M1048 L1051 V1056 L1122 I1147 L1152 T1153 | E1044-F1150 HydrophobicContact CG-CB 4.04Å; L1047-F1150 HydrophobicContact CD2-CB 4.2Å; L1047-F1150 HydrophobicContact CD2-CD1 4.01Å; L1047-F1150 HydrophobicContact CD2-CG 4.26Å; M1048-F1150 HydrophobicContact CE-CD2 3.89Å; M1048-F1150 HydrophobicContact CE-CE2 4.05Å; M1048-F1150 HydrophobicContact CG-CB 4.13Å; M1048-F1150 HydrophobicContact CG-CD2 3.48Å; M1048-F1150 VanDerWaalsContact CG-CD2 3.48Å; M1048-F1150 HydrophobicContact CG-CE2 4.17Å; M1048-F1150 HydrophobicContact CG-CG 3.93Å; M1048-F1150 HydrophobicContact SD-CD2 3.65Å; M1048-F1150 HydrophobicContact SD-CE2 4.39Å; M1048-F1150 HydrophobicContact SD-CG 4.46Å; L1051-F1150 HydrophobicContact CD1-CD1 4.17Å; L1051-F1150 HydrophobicContact CD1-CE1 3.79Å; L1051-F1150 HydrophobicContact CD1-CE2 4.41Å; L1051-F1150 HydrophobicContact CD1-CZ 3.94Å; V1056-F1150 HydrophobicContact CG1-CE2 4.24Å; V1056-F1150 HydrophobicContact CG1-CZ 3.66Å; L1122-F1150 HydrophobicContact CD1-CE1 3.84Å; L1122-F1150 HydrophobicContact CD2-CE1 3.84Å; I1147-F1150 HydrophobicContact CG2-CZ 4.39Å; F1150-L1152 PolarHBondContact O-N 3.08Å; F1150-L1152 VanDerWaalsContact O-N 3.11Å; F1150-T1153 WeakPolarHBondContact CA-OG1 3.29Å; F1150-T1153 HydrophobicContact CD1-CG2 4.17Å; F1150-T1153 WeakPolarHBondContact CD1-OG1 3.41Å; F1150-T1153 WeakPolarHBondContact O-CB 3.37Å; F1150-T1153 PolarHBondContact O-N 3.14Å; F1150-T1153 PolarHBondContact O-OG1 3.23Å | ||
| 1151 | G | 73.5 | Confident | 75.5 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1149 | D1149-G1151 VanDerWaalsContact C-N 3.27Å; D1149-G1151 PolarHBondContact O-N 3.4Å |
| 1152 | L | 74.7 | Confident | 72.9 | Confident | 50 Ų | 50 | 70 Ų | 70 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -3.4 | 176.2 | -64.2 | 177.6 | 0 | 0 | 0 | 113.6 | R1130 D1131 F1150 | R1130-L1152 HydrophobicContact CB-CB 4.41Å; R1130-L1152 WeakPolarHBondContact CD-O 3.34Å; D1131-L1152 HydrophobicContact CB-CD1 4.06Å; F1150-L1152 PolarHBondContact O-N 3.08Å; F1150-L1152 VanDerWaalsContact O-N 3.11Å |
| 1153 | T | 80.7 | Confident | 70.4 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -70.2 | 142 | -176.8 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | L1047 L1127 I1128 H1129 F1150 | L1047-T1153 HydrophobicContact CD1-CG2 3.73Å; L1047-T1153 HydrophobicContact CD2-CG2 4.04Å; L1127-T1153 HydrophobicContact CB-CG2 4.07Å; L1127-T1153 HydrophobicContact CD2-CG2 4.34Å; I1128-T1153 WeakPolarHBondContact O-CA 3.5Å; I1128-T1153 WeakPolarHBondContact O-CG2 3.37Å; H1129-T1153 PolarHBondContact O-OG1 3.44Å; F1150-T1153 WeakPolarHBondContact CA-OG1 3.29Å; F1150-T1153 HydrophobicContact CD1-CG2 4.17Å; F1150-T1153 WeakPolarHBondContact CD1-OG1 3.41Å; F1150-T1153 WeakPolarHBondContact O-CB 3.37Å; F1150-T1153 PolarHBondContact O-N 3.14Å; F1150-T1153 PolarHBondContact O-OG1 3.23Å | ||
| 1154 | R | 79.4 | Confident | 67.6 | Low | 88 Ų | 88 | 73.1 Ų | 73.1 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 153.6 | 179.8 | -66.3 | -67.3 | -179.1 | -107.9 | 9.3 | 111.4 | L1127 I1128 | L1127-R1154 WeakPolarHBondContact CA-O 3.25Å; I1128-R1154 PolarHBondContact N-O 2.78Å; I1128-R1154 PolarHBondContact O-N 3.46Å |
| 1155 | E | 76.2 | Confident | 64.6 | Low | 133 Ų | 133 | 75.6 Ų | 75.6 | 62% | 0.621 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 147.4 | 171.4 | -67.1 | 174.4 | -162.8 | 0 | 0 | 111.4 | N1126 L1127 N1157 | N1126-E1155 CarbonylContact O-C 3.57Å; N1126-E1155 WeakPolarHBondContact O-CA 3.48Å; L1127-E1155 HydrophobicContact CD2-CB 4.42Å; L1127-E1155 HydrophobicContact CD2-CG 3.59Å; E1155-N1157 PolarHBondContact O-N 3.11Å |
| 1156 | M | 70.9 | Confident | 61.7 | Low | 67 Ų | 67 | 84.1 Ų | 84.1 | 33% | 0.33 | 43% | 0.431 | S | S | . | . | trans | -78.7 | 101.1 | 171.8 | -64.3 | -174.2 | -128.2 | 0 | 0 | 108.8 | N1126 I1128 S1158 V1190 | N1126-M1156 HydrophobicContact CB-CB 4.29Å; N1126-M1156 WeakPolarHBondContact O-CG 3.36Å; N1126-M1156 PolarHBondContact O-N 3.45Å; I1128-M1156 HydrophobicContact CD1-CE 3.2Å; I1128-M1156 HydrophobicContact CD1-CG 3.98Å; I1128-M1156 HydrophobicContact CD1-SD 3.76Å; I1128-M1156 HydrophobicContact CG1-CE 3.99Å; I1128-M1156 HydrophobicContact CG1-CG 3.7Å; I1128-M1156 HydrophobicContact CG1-SD 4.16Å; M1156-S1158 PolarHBondContact O-N 3.36Å; M1156-V1190 HydrophobicContact CE-CG2 3.6Å; M1156-V1190 HydrophobicContact SD-CG2 4.22Å | ||
| 1157 | N | 55.1 | Low | 58.9 | Low | 124 Ų | 124 | 85.9 Ų | 85.9 | 66% | 0.663 | 44% | 0.439 | S | S | * | . | trans | -69.1 | 124 | 173.4 | -74.2 | -8.4 | 0 | 0 | 0 | 110 | E1155 | E1155-N1157 PolarHBondContact O-N 3.11Š| ||
| 1158 | S | 46.4 | Very low | 56 | Low | 127 Ų | 127 | 91.7 Ų | 91.7 | 89% | 0.888 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -86.2 | -2.3 | -177.2 | 44.1 | 0 | 0 | 0 | 0 | 115.2 | M1156 | M1156-S1158 PolarHBondContact O-N 3.36Š|
| 1159 | S | 38.6 | Very low | 53.6 | Low | 108 Ų | 108 | 97.3 Ų | 97.3 | 76% | 0.755 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -133.4 | 11.1 | -165.2 | 53.6 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1160 | E | 37.3 | Very low | 51.5 | Low | 138 Ų | 138 | 101.5 Ų | 101.5 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | trans | -132.1 | 128 | 173.1 | -71.9 | 178.8 | 167 | 0 | 0 | 110.3 | E1162 | E1160-E1162 PolarHBondContact O-N 2.8Š| ||
| 1161 | N | 35.6 | Very low | 49.7 | Very low | 179 Ų | 179 | 103.8 Ų | 103.8 | 96% | 0.957 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -64.9 | 26 | 177 | -85.5 | -26.5 | 0 | 0 | 0 | 113.8 | ||
| 1162 | E | 35.3 | Very low | 48.8 | Very low | 157 Ų | 157 | 110.8 Ų | 110.8 | 73% | 0.734 | 56% | 0.56 | S | S | * | * | trans | -111.8 | 68.6 | -173.3 | -62.1 | -166.3 | 173.5 | 0 | 0 | 110.9 | E1160 Y1164 | E1160-E1162 PolarHBondContact O-N 2.8Å; E1162-Y1164 PolarHBondContact O-N 3.46Å; E1162-Y1164 VanDerWaalsContact O-N 3.12Å | ||
| 1163 | G | 38 | Very low | 48.6 | Very low | 49 Ų | 49 | 111.2 Ų | 111.2 | 51% | 0.505 | 56% | 0.562 | S | S | . | * | trans | -69.7 | 8.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114 | I1187 | G1163-I1187 WeakPolarHBondContact O-CG1 3.38Š| ||
| 1164 | Y | 30.1 | Very low | 48.6 | Very low | 150 Ų | 150 | 111.8 Ų | 111.8 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | trans | -98.7 | 98.5 | -177.7 | -177.2 | -100.3 | 0 | 0 | 0 | 110.2 | E1162 R1166 F1185 | E1162-Y1164 PolarHBondContact O-N 3.46Å; E1162-Y1164 VanDerWaalsContact O-N 3.12Å; Y1164-R1166 HydrophobicContact CE1-CB 3.81Å; Y1164-R1166 HydrophobicContact CE1-CG 4.42Å; Y1164-F1185 WeakPolarHBondContact CD2-O 3.47Å | ||
| 1165 | Y | 35 | Very low | 49 | Very low | 101 Ų | 101 | 109.8 Ų | 109.8 | 40% | 0.396 | 56% | 0.562 | S | S | . | * | trans | -94.1 | 112.8 | 168.4 | -177.6 | -102.1 | 0 | 0 | 0 | 109.9 | F1167 | Y1165-F1167 HydrophobicContact CD1-CD1 4.3Å; Y1165-F1167 HydrophobicContact CD1-CE1 4.26Å; Y1165-F1167 HydrophobicContact CD1-CE2 4.49Å; Y1165-F1167 HydrophobicContact CD1-CG 4.43Å; Y1165-F1167 HydrophobicContact CD1-CZ 4.36Å; Y1165-F1167 AromaticContact CE1-CD1 3.73Å; Y1165-F1167 HydrophobicContact CE1-CD1 3.73Å; Y1165-F1167 AromaticContact CE1-CE1 3.85Å; Y1165-F1167 HydrophobicContact CE1-CE1 3.85Å; Y1165-F1167 HydrophobicContact CE1-CG 4.17Å; Y1165-F1167 HydrophobicContact CE1-CZ 4.4Å | ||
| 1166 | R | 35.5 | Very low | 49.7 | Very low | 180 Ų | 180 | 104 Ų | 104 | 68% | 0.679 | 53% | 0.534 | S | S | * | . | trans | -86 | 114.4 | 171.4 | -167.4 | 173.2 | -178.1 | 155.2 | 2.1 | 109.2 | Y1164 T1168 | Y1164-R1166 HydrophobicContact CE1-CB 3.81Å; Y1164-R1166 HydrophobicContact CE1-CG 4.42Å; R1166-T1168 PolarHBondContact O-N 2.94Å | ||
| 1167 | F | 40.2 | Very low | 50.8 | Low | 69 Ų | 69 | 101.6 Ų | 101.6 | 30% | 0.303 | 52% | 0.521 | S | S | . | . | trans | -58.1 | 111.4 | 169.2 | -70.2 | -81.2 | 0 | 0 | 0 | 109.5 | Y1165 R1169 L1173 F1188 | Y1165-F1167 HydrophobicContact CD1-CD1 4.3Å; Y1165-F1167 HydrophobicContact CD1-CE1 4.26Å; Y1165-F1167 HydrophobicContact CD1-CE2 4.49Å; Y1165-F1167 HydrophobicContact CD1-CG 4.43Å; Y1165-F1167 HydrophobicContact CD1-CZ 4.36Å; Y1165-F1167 AromaticContact CE1-CD1 3.73Å; Y1165-F1167 HydrophobicContact CE1-CD1 3.73Å; Y1165-F1167 AromaticContact CE1-CE1 3.85Å; Y1165-F1167 HydrophobicContact CE1-CE1 3.85Å; Y1165-F1167 HydrophobicContact CE1-CG 4.17Å; Y1165-F1167 HydrophobicContact CE1-CZ 4.4Å; F1167-R1169 VanDerWaalsContact C-N 3.32Å; F1167-L1173 HydrophobicContact CD1-CD2 3.67Å; F1167-L1173 HydrophobicContact CD2-CD1 4Å; F1167-L1173 HydrophobicContact CD2-CD2 4.34Å; F1167-L1173 HydrophobicContact CE1-CD2 3.23Å; F1167-L1173 HydrophobicContact CE2-CD1 3.86Å; F1167-L1173 HydrophobicContact CE2-CD2 3.96Å; F1167-L1173 HydrophobicContact CG-CD1 4.41Å; F1167-L1173 HydrophobicContact CG-CD2 4.22Å; F1167-L1173 HydrophobicContact CZ-CD1 4.16Å; F1167-L1173 HydrophobicContact CZ-CD2 3.39Å; F1167-L1173 HydrophobicContact CZ-CG 4.43Å; F1167-F1188 HydrophobicContact CZ-CE2 4.34Å; F1167-F1188 HydrophobicContact CZ-CZ 4.09Å | ||
| 1168 | T | 35.5 | Very low | 52.7 | Low | 122 Ų | 122 | 96.3 Ų | 96.3 | 75% | 0.748 | 49% | 0.493 | S | S | * | . | trans | -90.8 | 10.8 | 176 | 43.1 | 0 | 0 | 0 | 0 | 113 | R1166 | R1166-T1168 PolarHBondContact O-N 2.94Š| ||
| 1169 | R | 41.6 | Very low | 54.9 | Low | 122 Ų | 122 | 90.2 Ų | 90.2 | 46% | 0.46 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -134.4 | 150.2 | -173.2 | -66.2 | -176.4 | 177.1 | 169.6 | 0.7 | 112.3 | E1036 D1040 F1167 C1171 | E1036-R1169 IonicContact OE2-NH2 2.66Å; D1040-R1169 IonicContact OD2-CZ 3.32Å; D1040-R1169 VanDerWaalsContact OD2-CZ 3.28Å; D1040-R1169 IonicContact OD2-NH1 3.07Å; D1040-R1169 PolarHBondContact OD2-NH1 3.37Å; D1040-R1169 IonicContact OD2-NH2 2.67Å; D1040-R1169 PolarHBondContact OD2-NH2 3.27Å; F1167-R1169 VanDerWaalsContact C-N 3.32Å; R1169-C1171 PolarHBondContact O-N 3.49Å |
| 1170 | N | 38.5 | Very low | 57.4 | Low | 147 Ų | 147 | 85.3 Ų | 85.3 | 79% | 0.786 | 42% | 0.416 | S | S | * | . | trans | -65.6 | 60.9 | 163.5 | -70.5 | -20.4 | 0 | 0 | 0 | 110.7 | Q1385 | N1170-Q1385 PolarHBondContact OD1-NE2 2.8Š| ||
| 1171 | C | 46.1 | Very low | 59.9 | Low | 48 Ų | 48 | 79.6 Ų | 79.6 | 32% | 0.324 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 129.8 | 179 | -166 | 0 | 0 | 0 | 0 | 109.4 | R1169 L1173 | R1169-C1171 PolarHBondContact O-N 3.49Å; C1171-L1173 HydrophobicContact CB-CD2 4.47Å; C1171-L1173 PolarHBondContact O-N 3.17Å |
| 1172 | E | 53.3 | Low | 62.4 | Low | 167 Ų | 167 | 71.1 Ų | 71.1 | 78% | 0.78 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 116.9 | 167.5 | -68 | -173.6 | 163.7 | 0 | 0 | 108 | ||
| 1173 | L | 71.4 | Confident | 64.7 | Low | 59 Ų | 59 | 65.6 Ų | 65.6 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 144.6 | -178 | -62.7 | -180 | 0 | 0 | 0 | 110.9 | F1167 C1171 I1175 M1178 | F1167-L1173 HydrophobicContact CD1-CD2 3.67Å; F1167-L1173 HydrophobicContact CD2-CD1 4Å; F1167-L1173 HydrophobicContact CD2-CD2 4.34Å; F1167-L1173 HydrophobicContact CE1-CD2 3.23Å; F1167-L1173 HydrophobicContact CE2-CD1 3.86Å; F1167-L1173 HydrophobicContact CE2-CD2 3.96Å; F1167-L1173 HydrophobicContact CG-CD1 4.41Å; F1167-L1173 HydrophobicContact CG-CD2 4.22Å; F1167-L1173 HydrophobicContact CZ-CD1 4.16Å; F1167-L1173 HydrophobicContact CZ-CD2 3.39Å; F1167-L1173 HydrophobicContact CZ-CG 4.43Å; C1171-L1173 HydrophobicContact CB-CD2 4.47Å; C1171-L1173 PolarHBondContact O-N 3.17Å; L1173-I1175 HydrophobicContact CB-CG1 3.97Å; L1173-I1175 PolarHBondContact O-N 3.08Å; L1173-M1178 HydrophobicContact CB-SD 4.28Å |
| 1174 | P | 81.8 | Confident | 66.7 | Low | 13 Ų | 13 | 68 Ų | 68 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -79.7 | 53.5 | 178.2 | 36.2 | -38.4 | 0 | 0 | 0 | 111.4 | D1131 R1176 W1177 M1178 | D1131-P1174 WeakPolarHBondContact OD1-CB 3.39Å; D1131-P1174 VanDerWaalsContact OD1-CG 3.23Å; D1131-P1174 WeakPolarHBondContact OD1-CG 3.34Å; P1174-R1176 PolarHBondContact O-N 2.8Å; P1174-W1177 HydrophobicContact CB-CE3 4.12Å; P1174-W1177 PolarHBondContact O-N 2.99Å; P1174-M1178 HydrophobicContact CG-CG 4.16Å; P1174-M1178 HydrophobicContact CG-SD 4.44Å; P1174-M1178 PolarHBondContact O-N 3.1Å | ||
| 1175 | I | 86.1 | Confident | 69 | Low | 46 Ų | 46 | 65.6 Ų | 65.6 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -45.3 | -42.4 | -166.8 | -70.4 | 172.2 | 0 | 0 | 0 | 113.2 | L1173 W1177 M1178 D1217 V1221 | L1173-I1175 HydrophobicContact CB-CG1 3.97Å; L1173-I1175 PolarHBondContact O-N 3.08Å; I1175-W1177 VanDerWaalsContact C-N 3.29Å; I1175-W1177 PolarHBondContact O-N 3.26Å; I1175-M1178 PolarHBondContact O-N 3.01Å; I1175-D1217 HydrophobicContact CD1-CB 4.06Å; I1175-V1221 HydrophobicContact CG2-CG2 3.26Å |
| 1176 | R | 91.5 | Very high | 71 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.045 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -75.9 | -13.9 | -174.8 | -64.9 | 170.6 | -177.9 | -101.2 | -6.2 | 114.9 | P1174 F1210 P1211 Y1212 L1215 D1217 V1220 | P1174-R1176 PolarHBondContact O-N 2.8Å; R1176-F1210 VanDerWaalsContact NE-CE1 3.25Å; R1176-P1211 HydrophobicContact CB-CB 4.28Å; R1176-P1211 WeakPolarHBondContact CD-O 3.34Å; R1176-P1211 PolarHBondContact NH1-O 3.31Å; R1176-Y1212 HydrophobicContact CB-CD2 4.2Å; R1176-Y1212 HydrophobicContact CG-CD2 4.32Å; R1176-Y1212 PolarHBondContact NH1-O 2.84Å; R1176-L1215 PolarHBondContact NH2-O 3.01Å; R1176-D1217 IonicContact CZ-OD1 2.86Å; R1176-D1217 VanDerWaalsContact CZ-OD1 3.27Å; R1176-D1217 IonicContact NE-OD1 3.01Å; R1176-D1217 PolarHBondContact NE-OD1 3.3Å; R1176-D1217 IonicContact NH2-OD1 3.51Å; R1176-D1217 PolarHBondContact NH2-OD1 3.35Å; R1176-V1220 HydrophobicContact CG-CG1 4.33Å |
| 1177 | W | 94.9 | Very high | 73.2 | Confident | 16 Ų | 16 | 55 Ų | 55 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -100.2 | -14.5 | 173.3 | -65.6 | -98.7 | 0 | 0 | 0 | 111.9 | A1133 P1174 I1175 S1196 I1199 E1203 F1210 P1211 | A1133-W1177 HydrophobicContact CB-CD2 4.24Å; A1133-W1177 HydrophobicContact CB-CG 4.16Å; A1133-W1177 HydrophobicContact CB-CZ2 4.45Å; P1174-W1177 HydrophobicContact CB-CE3 4.12Å; P1174-W1177 PolarHBondContact O-N 2.99Å; I1175-W1177 VanDerWaalsContact C-N 3.29Å; I1175-W1177 PolarHBondContact O-N 3.26Å; W1177-S1196 WeakPolarHBondContact O-CA 3.3Å; W1177-S1196 WeakPolarHBondContact O-CB 3.46Å; W1177-S1196 PolarHBondContact O-OG 3.46Å; W1177-I1199 HydrophobicContact CG-CG2 4.14Å; W1177-E1203 PolarHBondContact NE1-OE2 2.83Å; W1177-F1210 HydrophobicContact CH2-CD2 4.19Å; W1177-F1210 AromaticContact CH2-CE2 3.65Å; W1177-F1210 HydrophobicContact CH2-CE2 3.65Å; W1177-F1210 HydrophobicContact CH2-CZ 4.35Å; W1177-F1210 HydrophobicContact CZ3-CE2 4.28Å; W1177-P1211 HydrophobicContact CZ2-CG 3.94Å |
| 1178 | M | 93.2 | Very high | 75.2 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -74.3 | 144.8 | -179.7 | -66.9 | 176.8 | 65.6 | 0 | 0 | 111.1 | L1173 P1174 I1175 A1182 V1183 F1188 W1195 | L1173-M1178 HydrophobicContact CB-SD 4.28Å; P1174-M1178 HydrophobicContact CG-CG 4.16Å; P1174-M1178 HydrophobicContact CG-SD 4.44Å; P1174-M1178 PolarHBondContact O-N 3.1Å; I1175-M1178 PolarHBondContact O-N 3.01Å; M1178-A1182 HydrophobicContact CB-CB 4.34Å; M1178-A1182 HydrophobicContact CE-CB 3.88Å; M1178-A1182 WeakPolarHBondContact CE-O 3.08Å; M1178-V1183 HydrophobicContact CB-CG2 3.42Å; M1178-V1183 VanDerWaalsContact CB-CG2 3.42Å; M1178-V1183 HydrophobicContact CE-CG2 4.05Å; M1178-V1183 HydrophobicContact CG-CG2 4.42Å; M1178-V1183 HydrophobicContact SD-CG2 4.29Å; M1178-F1188 HydrophobicContact CE-CE1 4.1Å; M1178-F1188 HydrophobicContact CE-CZ 3.79Å; M1178-W1195 PolarHBondContact O-NE1 3.29Å; M1178-W1195 VanDerWaalsContact O-NE1 3.1Å |
| 1179 | S | 92.7 | Very high | 77.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -75.9 | 160.4 | 174.5 | 62.9 | 0 | 0 | 0 | 0 | 112 | E1181 A1182 V1183 S1192 | S1179-E1181 VanDerWaalsContact C-N 3.27Å; S1179-E1181 VanDerWaalsContact CB-CD 3.48Å; S1179-E1181 WeakPolarHBondContact CB-OE1 3.05Å; S1179-E1181 WeakPolarHBondContact CB-OE2 3.5Å; S1179-E1181 PolarHBondContact O-N 3.23Å; S1179-E1181 PolarHBondContact OG-OE1 2.83Å; S1179-E1181 PolarHBondContact OG-OE2 2.97Å; S1179-A1182 PolarHBondContact O-N 3.48Å; S1179-A1182 VanDerWaalsContact O-N 3.1Å; S1179-A1182 WeakPolarHBondContact OG-CB 3.4Å; S1179-A1182 PolarHBondContact OG-N 2.65Å; S1179-V1183 WeakPolarHBondContact O-CG2 3.47Å; S1179-V1183 PolarHBondContact O-N 2.78Å; S1179-S1192 WeakPolarHBondContact OG-CB 3.43Å | ||
| 1180 | P | 91.1 | Very high | 80.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52 | -44.5 | 178.4 | -24.4 | 30.6 | 0 | 0 | 0 | 113.1 | V1183 Q1184 W1195 V1224 | P1180-V1183 PolarHBondContact O-N 2.79Å; P1180-Q1184 WeakPolarHBondContact O-CB 3.18Å; P1180-Q1184 PolarHBondContact O-N 3.03Å; P1180-W1195 HydrophobicContact CG-CH2 3.87Å; P1180-W1195 HydrophobicContact CG-CZ2 4.35Å; P1180-W1195 HydrophobicContact CG-CZ3 3.97Å; P1180-V1224 HydrophobicContact CB-CG1 4.5Å; P1180-V1224 HydrophobicContact CG-CG1 3.84Å |
| 1181 | E | 89.8 | Confident | 83 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.7 | -32.6 | -179.8 | 68.8 | -76.5 | 175.6 | 0 | 0 | 113.5 | S1179 F1185 G1186 I1187 W1256 R1259 | S1179-E1181 VanDerWaalsContact C-N 3.27Å; S1179-E1181 VanDerWaalsContact CB-CD 3.48Å; S1179-E1181 WeakPolarHBondContact CB-OE1 3.05Å; S1179-E1181 WeakPolarHBondContact CB-OE2 3.5Å; S1179-E1181 PolarHBondContact O-N 3.23Å; S1179-E1181 PolarHBondContact OG-OE1 2.83Å; S1179-E1181 PolarHBondContact OG-OE2 2.97Å; E1181-F1185 PolarHBondContact O-N 3.32Å; E1181-G1186 PolarHBondContact O-N 2.68Å; E1181-I1187 HydrophobicContact CG-CB 4.5Å; E1181-I1187 HydrophobicContact CG-CG2 4.5Å; E1181-I1187 PolarHBondContact O-N 3.42Å; E1181-W1256 HydrophobicContact CG-CE3 4.13Å; E1181-R1259 IonicContact OE1-CZ 3.97Å; E1181-R1259 IonicContact OE1-NH1 3.78Å; E1181-R1259 PolarHBondContact OE1-NH1 2.89Å; E1181-R1259 IonicContact OE1-NH2 3.12Å; E1181-R1259 IonicContact OE2-CZ 2.62Å; E1181-R1259 IonicContact OE2-NH1 3.28Å; E1181-R1259 IonicContact OE2-NH2 2.94Å; E1181-R1259 PolarHBondContact OE2-NH2 3.18Å |
| 1182 | A | 88.3 | Confident | 85.2 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.1 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1178 S1179 G1186 I1187 F1188 | M1178-A1182 HydrophobicContact CB-CB 4.34Å; M1178-A1182 HydrophobicContact CE-CB 3.88Å; M1178-A1182 WeakPolarHBondContact CE-O 3.08Å; S1179-A1182 PolarHBondContact O-N 3.48Å; S1179-A1182 VanDerWaalsContact O-N 3.1Å; S1179-A1182 WeakPolarHBondContact OG-CB 3.4Å; S1179-A1182 PolarHBondContact OG-N 2.65Å; A1182-G1186 WeakPolarHBondContact O-CA 3.33Å; A1182-G1186 PolarHBondContact O-N 3.44Å; A1182-I1187 VanDerWaalsContact CA-O 3.22Å; A1182-I1187 WeakPolarHBondContact CA-O 3.48Å; A1182-I1187 WeakPolarHBondContact CB-O 3.26Å; A1182-I1187 PolarHBondContact N-O 3.18Å; A1182-F1188 HydrophobicContact CB-CD1 4.03Å; A1182-F1188 HydrophobicContact CB-CE1 3.81Å; A1182-F1188 HydrophobicContact CB-CZ 4.2Å |
| 1183 | V | 83.4 | Confident | 87.3 | Confident | 41 Ų | 41 | 29.3 Ų | 29.3 | 25% | 0.248 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.1 | -41 | 178 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | M1178 S1179 P1180 V1221 | M1178-V1183 HydrophobicContact CB-CG2 3.42Å; M1178-V1183 VanDerWaalsContact CB-CG2 3.42Å; M1178-V1183 HydrophobicContact CE-CG2 4.05Å; M1178-V1183 HydrophobicContact CG-CG2 4.42Å; M1178-V1183 HydrophobicContact SD-CG2 4.29Å; S1179-V1183 WeakPolarHBondContact O-CG2 3.47Å; S1179-V1183 PolarHBondContact O-N 2.78Å; P1180-V1183 PolarHBondContact O-N 2.79Å; V1183-V1221 HydrophobicContact CG1-CB 4.17Å; V1183-V1221 HydrophobicContact CG1-CG1 3.48Å; V1183-V1221 VanDerWaalsContact CG1-CG1 3.48Å; V1183-V1221 HydrophobicContact CG1-CG2 3.79Å |
| 1184 | Q | 80.7 | Confident | 88.5 | Confident | 98 Ų | 98 | 26.5 Ų | 26.5 | 46% | 0.458 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -78.9 | -38.3 | -174 | -169.6 | 175.6 | 4.5 | 0 | 0 | 112.7 | P1180 K1225 | P1180-Q1184 WeakPolarHBondContact O-CB 3.18Å; P1180-Q1184 PolarHBondContact O-N 3.03Å; Q1184-K1225 HydrophobicContact CB-CG 4.43Å |
| 1185 | F | 78.9 | Confident | 89.3 | Confident | 101 Ų | 101 | 26.2 Ų | 26.2 | 44% | 0.443 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -127.4 | -2.8 | -169.7 | -53 | -65.9 | 0 | 0 | 0 | 113.8 | Y1164 E1181 I1187 | Y1164-F1185 WeakPolarHBondContact CD2-O 3.47Å; E1181-F1185 PolarHBondContact O-N 3.32Å; F1185-I1187 HydrophobicContact CB-CD1 3.58Å; F1185-I1187 HydrophobicContact CB-CG1 3.71Å; F1185-I1187 HydrophobicContact CD2-CD1 4.25Å; F1185-I1187 HydrophobicContact CG-CD1 4.2Å; F1185-I1187 PolarHBondContact O-N 3.22Å |
| 1186 | G | 77.4 | Confident | 89.8 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 10% | 0.103 | 12% | 0.122 | C | C | . | . | trans | 69.4 | 18.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1181 A1182 F1188 | E1181-G1186 PolarHBondContact O-N 2.68Å; A1182-G1186 WeakPolarHBondContact O-CA 3.33Å; A1182-G1186 PolarHBondContact O-N 3.44Å; G1186-F1188 WeakPolarHBondContact O-CD2 3.13Å; G1186-F1188 WeakPolarHBondContact O-CE2 3.39Å | ||
| 1187 | I | 79.9 | Confident | 90.2 | Very high | 48 Ų | 48 | 23.7 Ų | 23.7 | 25% | 0.246 | 12% | 0.12 | C | C | . | . | trans | -84.6 | 117.1 | -177.7 | -64 | 169.6 | 0 | 0 | 0 | 109.3 | G1163 E1181 A1182 F1185 W1256 | G1163-I1187 WeakPolarHBondContact O-CG1 3.38Å; E1181-I1187 HydrophobicContact CG-CB 4.5Å; E1181-I1187 HydrophobicContact CG-CG2 4.5Å; E1181-I1187 PolarHBondContact O-N 3.42Å; A1182-I1187 VanDerWaalsContact CA-O 3.22Å; A1182-I1187 WeakPolarHBondContact CA-O 3.48Å; A1182-I1187 WeakPolarHBondContact CB-O 3.26Å; A1182-I1187 PolarHBondContact N-O 3.18Å; F1185-I1187 HydrophobicContact CB-CD1 3.58Å; F1185-I1187 HydrophobicContact CB-CG1 3.71Å; F1185-I1187 HydrophobicContact CD2-CD1 4.25Å; F1185-I1187 HydrophobicContact CG-CD1 4.2Å; F1185-I1187 PolarHBondContact O-N 3.22Å; I1187-W1256 HydrophobicContact CG2-CH2 4.3Å; I1187-W1256 HydrophobicContact CG2-CZ3 3.92Å | ||
| 1188 | F | 83.5 | Confident | 90.3 | Very high | 34 Ų | 34 | 22.9 Ų | 22.9 | 15% | 0.149 | 12% | 0.117 | C | C | . | . | trans | -114.1 | 133.8 | 176.8 | -64.4 | -87.2 | 0 | 0 | 0 | 110.5 | I1128 R1130 F1167 M1178 A1182 G1186 | I1128-F1188 HydrophobicContact CG2-CB 4.24Å; R1130-F1188 HydrophobicContact CB-CD1 3.8Å; R1130-F1188 HydrophobicContact CB-CE1 3.98Å; R1130-F1188 HydrophobicContact CB-CG 4.48Å; R1130-F1188 HydrophobicContact CG-CB 3.97Å; R1130-F1188 HydrophobicContact CG-CD1 3.59Å; R1130-F1188 HydrophobicContact CG-CE1 4.22Å; R1130-F1188 HydrophobicContact CG-CG 3.83Å; F1167-F1188 HydrophobicContact CZ-CE2 4.34Å; F1167-F1188 HydrophobicContact CZ-CZ 4.09Å; M1178-F1188 HydrophobicContact CE-CE1 4.1Å; M1178-F1188 HydrophobicContact CE-CZ 3.79Å; A1182-F1188 HydrophobicContact CB-CD1 4.03Å; A1182-F1188 HydrophobicContact CB-CE1 3.81Å; A1182-F1188 HydrophobicContact CB-CZ 4.2Å; G1186-F1188 WeakPolarHBondContact O-CD2 3.13Å; G1186-F1188 WeakPolarHBondContact O-CE2 3.39Å | ||
| 1189 | S | 89.8 | Confident | 90.5 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | trans | -151.9 | 178 | -177.8 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | I1128 H1191 S1192 D1193 | I1128-S1189 VanDerWaalsContact CD1-C 3.41Å; S1189-H1191 PolarHBondContact O-N 3.33Å; S1189-H1191 PolarHBondContact OG-N 3.42Å; S1189-S1192 PolarHBondContact N-OG 3.27Å; S1189-S1192 PolarHBondContact O-N 2.77Å; S1189-S1192 PolarHBondContact O-OG 3.45Å; S1189-S1192 PolarHBondContact OG-N 3.46Å; S1189-D1193 PolarHBondContact O-N 2.88Å | ||
| 1190 | V | 92.9 | Very high | 90.8 | Very high | 29 Ų | 29 | 22.3 Ų | 22.3 | 18% | 0.176 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -51.6 | -41.4 | 170 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | H1123 I1128 M1156 S1192 D1193 I1194 | H1123-V1190 HydrophobicContact CB-CG2 4.22Å; H1123-V1190 WeakPolarHBondContact ND1-CG1 3.39Å; I1128-V1190 HydrophobicContact CD1-CB 4.45Å; I1128-V1190 HydrophobicContact CD1-CG2 3.8Å; I1128-V1190 VanDerWaalsContact CD1-N 3.26Å; M1156-V1190 HydrophobicContact CE-CG2 3.6Å; M1156-V1190 HydrophobicContact SD-CG2 4.22Å; V1190-S1192 VanDerWaalsContact C-N 3.33Å; V1190-S1192 PolarHBondContact O-N 2.85Å; V1190-D1193 PolarHBondContact O-N 2.72Å; V1190-I1194 HydrophobicContact CG1-CD1 3.89Å; V1190-I1194 HydrophobicContact CG1-CG1 4.48Å; V1190-I1194 WeakPolarHBondContact O-CG1 3.39Å; V1190-I1194 PolarHBondContact O-N 3.1Å |
| 1191 | H | 95.3 | Very high | 91.1 | Very high | 51 Ų | 51 | 22.1 Ų | 22.1 | 24% | 0.236 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.2 | -29.3 | -178.7 | -58.2 | 89.2 | 0 | 0 | 0 | 112.8 | S1189 I1194 W1195 W1256 R1259 | S1189-H1191 PolarHBondContact O-N 3.33Å; S1189-H1191 PolarHBondContact OG-N 3.42Å; H1191-I1194 PolarHBondContact O-N 3.46Å; H1191-W1195 PolarHBondContact O-N 2.82Å; H1191-W1195 VanDerWaalsContact O-N 3.13Å; H1191-W1256 HydrophobicContact CB-CB 3.99Å; H1191-W1256 PolarHBondContact CD2-O 3.21Å; H1191-W1256 VanDerWaalsContact CD2-O 3.22Å; H1191-R1259 WeakPolarHBondContact O-CD 3.09Å; H1191-R1259 PolarHBondContact O-NH1 2.92Å |
| 1192 | S | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.1 | -39.1 | 173.9 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | S1179 S1189 V1190 I1194 W1195 S1196 | S1179-S1192 WeakPolarHBondContact OG-CB 3.43Å; S1189-S1192 PolarHBondContact N-OG 3.27Å; S1189-S1192 PolarHBondContact O-N 2.77Å; S1189-S1192 PolarHBondContact O-OG 3.45Å; S1189-S1192 PolarHBondContact OG-N 3.46Å; V1190-S1192 VanDerWaalsContact C-N 3.33Å; V1190-S1192 PolarHBondContact O-N 2.85Å; S1192-I1194 VanDerWaalsContact C-N 3.33Å; S1192-I1194 PolarHBondContact O-N 3.26Å; S1192-W1195 WeakPolarHBondContact O-CB 3.2Å; S1192-W1195 PolarHBondContact O-N 3.13Å; S1192-S1196 PolarHBondContact O-N 3.14Å; S1192-S1196 VanDerWaalsContact O-N 3.11Å; S1192-S1196 PolarHBondContact O-OG 3.2Å |
| 1193 | D | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.3 | -35.5 | 173.4 | -82.5 | -3.8 | 0 | 0 | 0 | 111.8 | L1119 H1123 I1128 H1129 R1130 S1189 V1190 W1195 S1196 Y1197 | L1119-D1193 HydrophobicContact CD1-CB 4.19Å; L1119-D1193 HydrophobicContact CD2-CB 4.21Å; H1123-D1193 IonicContact CD2-OD2 2.79Å; H1123-D1193 IonicContact CE1-OD2 3.19Å; H1123-D1193 WeakPolarHBondContact NE2-CB 3.23Å; H1123-D1193 IonicContact NE2-OD2 3.93Å; H1123-D1193 PolarHBondContact NE2-OD2 3.24Å; I1128-D1193 WeakPolarHBondContact CG2-OD2 3.27Å; H1129-D1193 PolarHBondContact N-OD2 3.3Å; R1130-D1193 PolarHBondContact N-OD1 3.05Å; S1189-D1193 PolarHBondContact O-N 2.88Å; V1190-D1193 PolarHBondContact O-N 2.72Å; D1193-W1195 VanDerWaalsContact C-N 3.35Å; D1193-S1196 PolarHBondContact O-N 3.16Å; D1193-Y1197 WeakPolarHBondContact O-CB 2.97Å; D1193-Y1197 PolarHBondContact O-N 3.44Å |
| 1194 | I | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 174.4 | -71.5 | 173 | 0 | 0 | 0 | 111.7 | V1190 H1191 S1192 Y1197 G1198 C1251 R1259 P1260 L1263 I1266 | V1190-I1194 HydrophobicContact CG1-CD1 3.89Å; V1190-I1194 HydrophobicContact CG1-CG1 4.48Å; V1190-I1194 WeakPolarHBondContact O-CG1 3.39Å; V1190-I1194 PolarHBondContact O-N 3.1Å; H1191-I1194 PolarHBondContact O-N 3.46Å; S1192-I1194 VanDerWaalsContact C-N 3.33Å; S1192-I1194 PolarHBondContact O-N 3.26Å; I1194-Y1197 PolarHBondContact O-N 3.41Å; I1194-G1198 PolarHBondContact O-N 3.14Å; I1194-C1251 HydrophobicContact CG2-CB 4.22Å; I1194-R1259 HydrophobicContact CG2-CB 4.17Å; I1194-P1260 WeakPolarHBondContact CD1-O 3.1Å; I1194-L1263 HydrophobicContact CD1-CD2 3.83Å; I1194-L1263 HydrophobicContact CG1-CD2 3.39Å; I1194-I1266 HydrophobicContact CG2-CD1 4.1Å |
| 1195 | W | 97.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 15 Ų | 15 | 2% | 0.023 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 172.2 | 173.8 | -76 | 0 | 0 | 0 | 110.8 | M1178 P1180 H1191 S1192 D1193 Y1197 G1198 I1199 V1224 C1252 Q1253 | M1178-W1195 PolarHBondContact O-NE1 3.29Å; M1178-W1195 VanDerWaalsContact O-NE1 3.1Å; P1180-W1195 HydrophobicContact CG-CH2 3.87Å; P1180-W1195 HydrophobicContact CG-CZ2 4.35Å; P1180-W1195 HydrophobicContact CG-CZ3 3.97Å; H1191-W1195 PolarHBondContact O-N 2.82Å; H1191-W1195 VanDerWaalsContact O-N 3.13Å; S1192-W1195 WeakPolarHBondContact O-CB 3.2Å; S1192-W1195 PolarHBondContact O-N 3.13Å; D1193-W1195 VanDerWaalsContact C-N 3.35Å; W1195-Y1197 VanDerWaalsContact C-N 3.27Å; W1195-Y1197 PolarHBondContact O-N 2.93Å; W1195-G1198 WeakPolarHBondContact O-CA 3.34Å; W1195-G1198 PolarHBondContact O-N 2.84Å; W1195-I1199 PolarHBondContact O-N 2.94Å; W1195-I1199 VanDerWaalsContact O-N 3.13Å; W1195-V1224 HydrophobicContact CH2-CG1 4.02Å; W1195-V1224 HydrophobicContact CZ2-CG1 3.82Å; W1195-C1252 HydrophobicContact CE3-CB 4.17Å; W1195-C1252 HydrophobicContact CH2-CB 4.45Å; W1195-C1252 VanDerWaalsContact CZ3-C 3.49Å; W1195-C1252 HydrophobicContact CZ3-CB 4.14Å; W1195-C1252 WeakPolarHBondContact CZ3-O 3.39Å; W1195-Q1253 WeakPolarHBondContact CZ3-O 3.22Å |
| 1196 | S | 97.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 4% | 0.035 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.9 | -38.4 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | W1177 S1192 D1193 G1198 I1199 V1200 | W1177-S1196 WeakPolarHBondContact O-CA 3.3Å; W1177-S1196 WeakPolarHBondContact O-CB 3.46Å; W1177-S1196 PolarHBondContact O-OG 3.46Å; S1192-S1196 PolarHBondContact O-N 3.14Å; S1192-S1196 VanDerWaalsContact O-N 3.11Å; S1192-S1196 PolarHBondContact O-OG 3.2Å; D1193-S1196 PolarHBondContact O-N 3.16Å; S1196-G1198 VanDerWaalsContact C-N 3.35Å; S1196-G1198 PolarHBondContact O-N 3.27Å; S1196-I1199 WeakPolarHBondContact O-CB 3.36Å; S1196-I1199 PolarHBondContact O-N 2.91Å; S1196-I1199 VanDerWaalsContact O-N 3.15Å; S1196-V1200 PolarHBondContact O-N 3.11Å |
| 1197 | Y | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 172.5 | 179.3 | -94.3 | 0 | 0 | 0 | 112.6 | A1112 I1115 A1116 D1193 I1194 W1195 I1199 V1200 L1201 L1263 I1266 L1270 | A1112-Y1197 PolarHBondContact O-OH 2.85Å; I1115-Y1197 HydrophobicContact CB-CE2 4.09Å; I1115-Y1197 HydrophobicContact CG2-CD2 3.89Å; I1115-Y1197 HydrophobicContact CG2-CE2 3.87Å; A1116-Y1197 HydrophobicContact CB-CE2 3.85Å; D1193-Y1197 WeakPolarHBondContact O-CB 2.97Å; D1193-Y1197 PolarHBondContact O-N 3.44Å; I1194-Y1197 PolarHBondContact O-N 3.41Å; W1195-Y1197 VanDerWaalsContact C-N 3.27Å; W1195-Y1197 PolarHBondContact O-N 2.93Å; Y1197-I1199 VanDerWaalsContact C-N 3.28Å; Y1197-I1199 PolarHBondContact O-N 3.12Å; Y1197-V1200 WeakPolarHBondContact O-CA 3.5Å; Y1197-V1200 WeakPolarHBondContact O-CB 3.09Å; Y1197-V1200 PolarHBondContact O-N 2.99Å; Y1197-V1200 VanDerWaalsContact O-N 3.09Å; Y1197-L1201 HydrophobicContact CD1-CD1 4.19Å; Y1197-L1201 HydrophobicContact CD1-CG 4.2Å; Y1197-L1201 HydrophobicContact CE1-CD1 3.64Å; Y1197-L1201 HydrophobicContact CE1-CD2 3.96Å; Y1197-L1201 HydrophobicContact CE1-CG 3.7Å; Y1197-L1201 PolarHBondContact O-N 3.35Å; Y1197-L1263 HydrophobicContact CD1-CD1 4.26Å; Y1197-L1263 HydrophobicContact CD2-CD1 4.47Å; Y1197-L1263 HydrophobicContact CG-CD1 4.23Å; Y1197-I1266 HydrophobicContact CD1-CD1 4.38Å; Y1197-I1266 HydrophobicContact CD1-CG2 4.36Å; Y1197-I1266 HydrophobicContact CE1-CG2 3.54Å; Y1197-L1270 WeakPolarHBondContact OH-CD1 3.48Å |
| 1198 | G | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59 | -38.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1194 W1195 S1196 L1201 Y1202 | I1194-G1198 PolarHBondContact O-N 3.14Å; W1195-G1198 WeakPolarHBondContact O-CA 3.34Å; W1195-G1198 PolarHBondContact O-N 2.84Å; S1196-G1198 VanDerWaalsContact C-N 3.35Å; S1196-G1198 PolarHBondContact O-N 3.27Å; G1198-L1201 PolarHBondContact O-N 3Å; G1198-Y1202 PolarHBondContact O-N 2.89Å; G1198-Y1202 VanDerWaalsContact O-N 3.17Å |
| 1199 | I | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -69 | -36.4 | 172.7 | -54.8 | -58.7 | 0 | 0 | 0 | 111.4 | W1177 W1195 S1196 Y1197 Y1202 E1203 P1211 Y1212 I1231 | W1177-I1199 HydrophobicContact CG-CG2 4.14Å; W1195-I1199 PolarHBondContact O-N 2.94Å; W1195-I1199 VanDerWaalsContact O-N 3.13Å; S1196-I1199 WeakPolarHBondContact O-CB 3.36Å; S1196-I1199 PolarHBondContact O-N 2.91Å; S1196-I1199 VanDerWaalsContact O-N 3.15Å; Y1197-I1199 VanDerWaalsContact C-N 3.28Å; Y1197-I1199 PolarHBondContact O-N 3.12Å; I1199-Y1202 VanDerWaalsContact O-CB 3.29Å; I1199-Y1202 WeakPolarHBondContact O-CB 3.19Å; I1199-Y1202 PolarHBondContact O-N 3.4Å; I1199-E1203 PolarHBondContact O-N 3.26Å; I1199-P1211 HydrophobicContact CG2-CB 3.75Å; I1199-P1211 HydrophobicContact CG2-CG 3.39Å; I1199-Y1212 HydrophobicContact CD1-CE2 4.36Å; I1199-I1231 HydrophobicContact CD1-CB 3.9Å; I1199-I1231 HydrophobicContact CD1-CD1 4.45Å; I1199-I1231 HydrophobicContact CD1-CG1 3.93Å; I1199-I1231 HydrophobicContact CD1-CG2 3.95Å |
| 1200 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 172.2 | 166.2 | 0 | 0 | 0 | 0 | 111.8 | I1115 I1132 A1133 S1196 Y1197 Y1202 E1203 I1204 | I1115-V1200 HydrophobicContact CD1-CG1 3.84Å; I1132-V1200 HydrophobicContact CG2-CG2 3.76Å; A1133-V1200 VanDerWaalsContact CA-CG2 3.44Å; S1196-V1200 PolarHBondContact O-N 3.11Å; Y1197-V1200 WeakPolarHBondContact O-CA 3.5Å; Y1197-V1200 WeakPolarHBondContact O-CB 3.09Å; Y1197-V1200 PolarHBondContact O-N 2.99Å; Y1197-V1200 VanDerWaalsContact O-N 3.09Å; V1200-Y1202 VanDerWaalsContact C-N 3.27Å; V1200-Y1202 PolarHBondContact O-N 3.35Å; V1200-E1203 WeakPolarHBondContact O-CB 3.43Å; V1200-E1203 PolarHBondContact O-N 3.35Å; V1200-E1203 VanDerWaalsContact O-N 3.1Å; V1200-I1204 HydrophobicContact CG1-CD1 3.94Å; V1200-I1204 HydrophobicContact CG1-CG1 4.39Å; V1200-I1204 WeakPolarHBondContact O-CG1 3.48Å; V1200-I1204 PolarHBondContact O-N 3.42Å |
| 1201 | L | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 174.4 | -70.3 | -178.3 | 0 | 0 | 0 | 111.4 | A1112 Y1197 G1198 I1204 I1205 I1244 L1247 I1248 | A1112-L1201 HydrophobicContact CB-CD2 3.78Å; Y1197-L1201 HydrophobicContact CD1-CD1 4.19Å; Y1197-L1201 HydrophobicContact CD1-CG 4.2Å; Y1197-L1201 HydrophobicContact CE1-CD1 3.64Å; Y1197-L1201 HydrophobicContact CE1-CD2 3.96Å; Y1197-L1201 HydrophobicContact CE1-CG 3.7Å; Y1197-L1201 PolarHBondContact O-N 3.35Å; G1198-L1201 PolarHBondContact O-N 3Å; L1201-I1204 PolarHBondContact O-N 3.46Å; L1201-I1205 WeakPolarHBondContact O-CG1 3.48Å; L1201-I1205 PolarHBondContact O-N 2.9Å; L1201-I1205 VanDerWaalsContact O-N 3.09Å; L1201-I1244 HydrophobicContact CB-CD1 4.44Å; L1201-I1244 HydrophobicContact CD1-CD1 3.95Å; L1201-I1244 HydrophobicContact CD2-CD1 4.2Å; L1201-I1244 HydrophobicContact CG-CD1 4.44Å; L1201-L1247 HydrophobicContact CD1-CD2 3.9Å; L1201-L1247 HydrophobicContact CD1-CG 3.99Å; L1201-I1248 HydrophobicContact CB-CD1 4.11Å; L1201-I1248 HydrophobicContact CB-CG1 3.73Å; L1201-I1248 HydrophobicContact CD1-CG1 4.18Å |
| 1202 | Y | 96.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 7.4 Ų | 7.4 | 3% | 0.031 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 171.7 | 170.8 | -87 | 0 | 0 | 0 | 111.8 | G1198 I1199 V1200 I1204 I1205 T1206 I1231 F1234 L1235 | G1198-Y1202 PolarHBondContact O-N 2.89Å; G1198-Y1202 VanDerWaalsContact O-N 3.17Å; I1199-Y1202 VanDerWaalsContact O-CB 3.29Å; I1199-Y1202 WeakPolarHBondContact O-CB 3.19Å; I1199-Y1202 PolarHBondContact O-N 3.4Å; V1200-Y1202 VanDerWaalsContact C-N 3.27Å; V1200-Y1202 PolarHBondContact O-N 3.35Å; Y1202-I1204 VanDerWaalsContact C-N 3.32Å; Y1202-I1204 PolarHBondContact O-N 2.68Å; Y1202-I1205 WeakPolarHBondContact O-CG1 3.24Å; Y1202-I1205 PolarHBondContact O-N 2.71Å; Y1202-T1206 HydrophobicContact CD2-CG2 4.19Å; Y1202-T1206 HydrophobicContact CE1-CG2 4.23Å; Y1202-T1206 HydrophobicContact CE2-CG2 3.85Å; Y1202-T1206 WeakPolarHBondContact O-CB 3.37Å; Y1202-T1206 WeakPolarHBondContact O-CG2 3.34Å; Y1202-T1206 PolarHBondContact O-N 3.21Å; Y1202-T1206 VanDerWaalsContact O-N 3.09Å; Y1202-T1206 PolarHBondContact O-OG1 3.45Å; Y1202-I1231 HydrophobicContact CD1-CD1 4.14Å; Y1202-I1231 HydrophobicContact CD1-CG1 4.25Å; Y1202-I1231 HydrophobicContact CD2-CD1 4.03Å; Y1202-I1231 HydrophobicContact CD2-CG1 3.61Å; Y1202-I1231 HydrophobicContact CE1-CD1 4.14Å; Y1202-I1231 HydrophobicContact CE2-CD1 4.01Å; Y1202-I1231 HydrophobicContact CE2-CG1 4.05Å; Y1202-I1231 HydrophobicContact CG-CD1 4.1Å; Y1202-I1231 HydrophobicContact CG-CG1 3.73Å; Y1202-F1234 HydrophobicContact CE2-CB 4.15Å; Y1202-F1234 WeakPolarHBondContact CE2-O 2.83Å; Y1202-L1235 HydrophobicContact CD2-CD2 3.79Å; Y1202-L1235 HydrophobicContact CE2-CD2 4.32Å |
| 1203 | E | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 177.3 | -71.3 | -173.6 | 104.3 | 0 | 0 | 111.8 | C1134 W1177 I1199 V1200 T1206 F1207 G1208 P1211 | C1134-E1203 HydrophobicContact CB-CB 4.3Å; C1134-E1203 PolarHBondContact N-OE2 3.46Å; C1134-E1203 VanDerWaalsContact N-OE2 3.11Å; C1134-E1203 VanDerWaalsContact SG-CB 3.5Å; W1177-E1203 PolarHBondContact NE1-OE2 2.83Å; I1199-E1203 PolarHBondContact O-N 3.26Å; V1200-E1203 WeakPolarHBondContact O-CB 3.43Å; V1200-E1203 PolarHBondContact O-N 3.35Å; V1200-E1203 VanDerWaalsContact O-N 3.1Å; E1203-T1206 PolarHBondContact O-OG1 3.33Å; E1203-F1207 WeakPolarHBondContact O-CA 3.32Å; E1203-F1207 PolarHBondContact O-N 3.5Å; E1203-G1208 PolarHBondContact O-N 3.5Å; E1203-P1211 HydrophobicContact CG-CG 4.14Å |
| 1204 | I | 96.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.3 | -52.9 | 179.4 | -65.5 | 167.8 | 0 | 0 | 0 | 110.9 | L1083 L1087 L1108 A1112 I1115 V1200 L1201 Y1202 T1206 F1207 V1277 | L1083-I1204 HydrophobicContact CD2-CD1 4.25Å; L1083-I1204 HydrophobicContact CD2-CG1 4.18Å; L1087-I1204 HydrophobicContact CD1-CB 4.46Å; L1087-I1204 HydrophobicContact CD1-CG1 4.22Å; L1108-I1204 HydrophobicContact CB-CG2 4.37Å; L1108-I1204 HydrophobicContact CD2-CG2 4.21Å; A1112-I1204 HydrophobicContact CB-CD1 4.28Å; I1115-I1204 HydrophobicContact CD1-CD1 4.1Å; V1200-I1204 HydrophobicContact CG1-CD1 3.94Å; V1200-I1204 HydrophobicContact CG1-CG1 4.39Å; V1200-I1204 WeakPolarHBondContact O-CG1 3.48Å; V1200-I1204 PolarHBondContact O-N 3.42Å; L1201-I1204 PolarHBondContact O-N 3.46Å; Y1202-I1204 VanDerWaalsContact C-N 3.32Å; Y1202-I1204 PolarHBondContact O-N 2.68Å; I1204-T1206 PolarHBondContact O-N 3.4Å; I1204-F1207 VanDerWaalsContact O-CD2 3.22Å; I1204-F1207 WeakPolarHBondContact O-CD2 3.5Å; I1204-F1207 PolarHBondContact O-N 3.22Å; I1204-F1207 VanDerWaalsContact O-N 3.09Å; I1204-V1277 HydrophobicContact CB-CG1 4.5Å; I1204-V1277 HydrophobicContact CG2-CG1 3.59Å |
| 1205 | I | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.2 | -26.3 | -175.2 | 66.3 | 171.6 | 0 | 0 | 0 | 113.1 | L1201 Y1202 L1235 A1239 I1244 I1248 V1277 F1280 | L1201-I1205 WeakPolarHBondContact O-CG1 3.48Å; L1201-I1205 PolarHBondContact O-N 2.9Å; L1201-I1205 VanDerWaalsContact O-N 3.09Å; Y1202-I1205 WeakPolarHBondContact O-CG1 3.24Å; Y1202-I1205 PolarHBondContact O-N 2.71Å; I1205-L1235 HydrophobicContact CD1-CD2 3.54Å; I1205-A1239 HydrophobicContact CD1-CB 4.43Å; I1205-I1244 HydrophobicContact CG2-CG1 3.86Å; I1205-I1244 HydrophobicContact CG2-CG2 4.45Å; I1205-I1248 HydrophobicContact CD1-CD1 3.57Å; I1205-I1248 HydrophobicContact CG1-CD1 4.46Å; I1205-V1277 HydrophobicContact CG2-CG1 3.84Å; I1205-F1280 HydrophobicContact CB-CD2 3.91Å; I1205-F1280 HydrophobicContact CB-CE2 4.39Å; I1205-F1280 HydrophobicContact CG2-CD2 4.42Å; I1205-F1280 HydrophobicContact CG2-CE2 4.43Å; I1205-F1280 PolarHBondContact O-N 3.01Å |
| 1206 | T | 92.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -92.1 | -3.4 | 176.6 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | R1091 Y1202 E1203 I1204 V1209 P1236 | R1091-T1206 PolarHBondContact NH1-O 3Å; Y1202-T1206 HydrophobicContact CD2-CG2 4.19Å; Y1202-T1206 HydrophobicContact CE1-CG2 4.23Å; Y1202-T1206 HydrophobicContact CE2-CG2 3.85Å; Y1202-T1206 WeakPolarHBondContact O-CB 3.37Å; Y1202-T1206 WeakPolarHBondContact O-CG2 3.34Å; Y1202-T1206 PolarHBondContact O-N 3.21Å; Y1202-T1206 VanDerWaalsContact O-N 3.09Å; Y1202-T1206 PolarHBondContact O-OG1 3.45Å; E1203-T1206 PolarHBondContact O-OG1 3.33Å; I1204-T1206 PolarHBondContact O-N 3.4Å; T1206-V1209 WeakPolarHBondContact O-CG2 3.43Å; T1206-P1236 HydrophobicContact CG2-CG 4.17Å |
| 1207 | F | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 56.5 | -176.3 | -80.3 | -122.8 | 0 | 0 | 0 | 113.1 | L1087 L1088 R1091 A1094 V1103 L1108 E1203 I1204 P1279 L1281 | L1087-F1207 HydrophobicContact CB-CB 4.44Å; L1087-F1207 HydrophobicContact CB-CD1 4.25Å; L1087-F1207 HydrophobicContact CB-CG 4.48Å; L1087-F1207 HydrophobicContact CD2-CD1 4.19Å; L1087-F1207 HydrophobicContact CD2-CE1 4.11Å; L1087-F1207 HydrophobicContact CD2-CE2 4.48Å; L1087-F1207 HydrophobicContact CD2-CG 4.4Å; L1087-F1207 HydrophobicContact CD2-CZ 4.25Å; L1087-F1207 WeakPolarHBondContact O-CD1 3.02Å; L1088-F1207 WeakPolarHBondContact CD2-O 3.44Å; R1091-F1207 HydrophobicContact CG-CB 4.41Å; A1094-F1207 HydrophobicContact CB-CD1 4.1Å; A1094-F1207 HydrophobicContact CB-CE1 3.37Å; A1094-F1207 HydrophobicContact CB-CE2 4.43Å; A1094-F1207 HydrophobicContact CB-CZ 3.58Å; V1103-F1207 HydrophobicContact CB-CE1 4.3Å; V1103-F1207 HydrophobicContact CB-CZ 4.11Å; V1103-F1207 HydrophobicContact CG1-CE1 3.85Å; V1103-F1207 HydrophobicContact CG1-CZ 4.13Å; L1108-F1207 HydrophobicContact CD1-CE2 3.76Å; L1108-F1207 HydrophobicContact CD1-CZ 3.86Å; L1108-F1207 HydrophobicContact CD2-CE2 4.47Å; L1108-F1207 HydrophobicContact CD2-CZ 4.18Å; E1203-F1207 WeakPolarHBondContact O-CA 3.32Å; E1203-F1207 PolarHBondContact O-N 3.5Å; I1204-F1207 VanDerWaalsContact O-CD2 3.22Å; I1204-F1207 WeakPolarHBondContact O-CD2 3.5Å; I1204-F1207 PolarHBondContact O-N 3.22Å; I1204-F1207 VanDerWaalsContact O-N 3.09Å; F1207-P1279 HydrophobicContact CD2-CB 4.04Å; F1207-P1279 HydrophobicContact CE2-CB 3.38Å; F1207-P1279 HydrophobicContact CE2-CG 3.57Å; F1207-P1279 HydrophobicContact CZ-CB 3.85Å; F1207-P1279 HydrophobicContact CZ-CG 3.64Å; F1207-L1281 HydrophobicContact CB-CD2 3.68Å; F1207-L1281 HydrophobicContact CD2-CD2 3.84Å; F1207-L1281 HydrophobicContact CG-CD1 4.42Å; F1207-L1281 HydrophobicContact CG-CD2 3.79Å |
| 1208 | G | 84.7 | Confident | 89.7 | Confident | 6 Ų | 6 | 27 Ų | 27 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 81.8 | 17 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1203 | E1203-G1208 PolarHBondContact O-N 3.5Š|
| 1209 | V | 85.8 | Confident | 89.2 | Confident | 42 Ų | 42 | 30.2 Ų | 30.2 | 26% | 0.255 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 137.1 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | T1206 D1213 | T1206-V1209 WeakPolarHBondContact O-CG2 3.43Å; V1209-D1213 HydrophobicContact CG1-CB 4.37Å |
| 1210 | F | 85.5 | Confident | 88.6 | Confident | 80 Ų | 80 | 30.3 Ų | 30.3 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 132.3 | -177.6 | -164.9 | -113.6 | 0 | 0 | 0 | 110.4 | R1176 W1177 D1213 | R1176-F1210 VanDerWaalsContact NE-CE1 3.25Å; W1177-F1210 HydrophobicContact CH2-CD2 4.19Å; W1177-F1210 AromaticContact CH2-CE2 3.65Å; W1177-F1210 HydrophobicContact CH2-CE2 3.65Å; W1177-F1210 HydrophobicContact CH2-CZ 4.35Å; W1177-F1210 HydrophobicContact CZ3-CE2 4.28Å; F1210-D1213 WeakPolarHBondContact O-CB 2.97Å; F1210-D1213 PolarHBondContact O-N 3.36Å |
| 1211 | P | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 139.2 | -177.4 | -23.7 | 33.4 | 0 | 0 | 0 | 112.8 | R1176 W1177 I1199 E1203 D1213 I1231 | R1176-P1211 HydrophobicContact CB-CB 4.28Å; R1176-P1211 WeakPolarHBondContact CD-O 3.34Å; R1176-P1211 PolarHBondContact NH1-O 3.31Å; W1177-P1211 HydrophobicContact CZ2-CG 3.94Å; I1199-P1211 HydrophobicContact CG2-CB 3.75Å; I1199-P1211 HydrophobicContact CG2-CG 3.39Å; E1203-P1211 HydrophobicContact CG-CG 4.14Å; P1211-D1213 PolarHBondContact O-N 3Å; P1211-I1231 HydrophobicContact CB-CD1 4.2Å |
| 1212 | Y | 90.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.1 | -176.2 | -45.7 | -76.1 | 0 | 0 | 0 | 112.7 | R1176 I1199 G1214 L1215 V1220 V1224 F1229 I1231 F1234 | R1176-Y1212 HydrophobicContact CB-CD2 4.2Å; R1176-Y1212 HydrophobicContact CG-CD2 4.32Å; R1176-Y1212 PolarHBondContact NH1-O 2.84Å; I1199-Y1212 HydrophobicContact CD1-CE2 4.36Å; Y1212-G1214 PolarHBondContact O-N 2.91Å; Y1212-L1215 PolarHBondContact O-N 3.3Å; Y1212-V1220 HydrophobicContact CD2-CG1 3.68Å; Y1212-V1220 HydrophobicContact CD2-CG2 4.45Å; Y1212-V1220 HydrophobicContact CE2-CG1 4.03Å; Y1212-V1220 HydrophobicContact CG-CG1 4.07Å; Y1212-V1220 HydrophobicContact CG-CG2 4.24Å; Y1212-V1224 HydrophobicContact CE1-CG2 4.4Å; Y1212-F1229 HydrophobicContact CD1-CD2 4.03Å; Y1212-F1229 AromaticContact CD1-CE2 3.35Å; Y1212-F1229 HydrophobicContact CD1-CE2 3.35Å; Y1212-F1229 HydrophobicContact CD1-CZ 4.13Å; Y1212-F1229 AromaticContact CE1-CD2 3.85Å; Y1212-F1229 HydrophobicContact CE1-CD2 3.85Å; Y1212-F1229 AromaticContact CE1-CE2 3.39Å; Y1212-F1229 HydrophobicContact CE1-CE2 3.39Å; Y1212-F1229 HydrophobicContact CG-CE2 4.22Å; Y1212-I1231 HydrophobicContact CD1-CD1 3.78Å; Y1212-I1231 HydrophobicContact CD2-CD1 4.31Å; Y1212-I1231 HydrophobicContact CE1-CB 3.81Å; Y1212-I1231 HydrophobicContact CE1-CD1 3.68Å; Y1212-I1231 HydrophobicContact CE1-CG1 4.34Å; Y1212-I1231 HydrophobicContact CE2-CD1 4.22Å; Y1212-I1231 HydrophobicContact CG-CD1 4.12Å; Y1212-F1234 AromaticContact CD1-CD2 3.98Å; Y1212-F1234 HydrophobicContact CD1-CD2 3.98Å; Y1212-F1234 AromaticContact CD1-CE2 3.83Å; Y1212-F1234 HydrophobicContact CD1-CE2 3.83Å; Y1212-F1234 HydrophobicContact CD1-CZ 4.38Å |
| 1213 | D | 81.4 | Confident | 86.9 | Confident | 104 Ų | 104 | 37 Ų | 37 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 138.7 | -178.4 | -165.1 | 34.8 | 0 | 0 | 0 | 111.5 | V1209 F1210 P1211 | V1209-D1213 HydrophobicContact CG1-CB 4.37Å; F1210-D1213 WeakPolarHBondContact O-CB 2.97Å; F1210-D1213 PolarHBondContact O-N 3.36Å; P1211-D1213 PolarHBondContact O-N 3Å |
| 1214 | G | 81.7 | Confident | 86.5 | Confident | 75 Ų | 75 | 37.6 Ų | 37.6 | 77% | 0.773 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -9.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y1212 | Y1212-G1214 PolarHBondContact O-N 2.91Š|
| 1215 | L | 82.5 | Confident | 85.8 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -99.7 | 155.3 | 174.7 | -57.1 | -172.7 | 0 | 0 | 0 | 112.1 | R1176 Y1212 V1220 F1229 F1234 | R1176-L1215 PolarHBondContact NH2-O 3.01Å; Y1212-L1215 PolarHBondContact O-N 3.3Å; L1215-V1220 HydrophobicContact CB-CG2 3.68Å; L1215-V1220 HydrophobicContact CD1-CG2 4.24Å; L1215-F1229 HydrophobicContact CD1-CD1 4.46Å; L1215-F1229 HydrophobicContact CD1-CE1 3.45Å; L1215-F1229 VanDerWaalsContact CD1-CE1 3.45Å; L1215-F1229 HydrophobicContact CD1-CE2 4.44Å; L1215-F1229 HydrophobicContact CD1-CZ 3.46Å; L1215-F1229 VanDerWaalsContact CD1-CZ 3.46Å; L1215-F1234 HydrophobicContact CD1-CE1 4.47Å; L1215-F1234 HydrophobicContact CD1-CZ 3.85Å; L1215-F1234 HydrophobicContact CG-CZ 4.43Å |
| 1216 | G | 78.7 | Confident | 85.4 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | trans | -84.4 | 155.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | V1218 E1219 V1220 | G1216-V1218 PolarHBondContact O-N 3.45Å; G1216-E1219 WeakPolarHBondContact O-CB 3.13Å; G1216-E1219 PolarHBondContact O-N 3.05Å; G1216-E1219 VanDerWaalsContact O-N 3.09Å; G1216-V1220 WeakPolarHBondContact O-CG2 3.42Å; G1216-V1220 PolarHBondContact O-N 3.43Å | ||
| 1217 | D | 81.2 | Confident | 85.1 | Confident | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | -174.5 | -68.1 | -17.3 | 0 | 0 | 0 | 113.2 | I1175 R1176 E1219 V1220 V1221 | I1175-D1217 HydrophobicContact CD1-CB 4.06Å; R1176-D1217 IonicContact CZ-OD1 2.86Å; R1176-D1217 VanDerWaalsContact CZ-OD1 3.27Å; R1176-D1217 IonicContact NE-OD1 3.01Å; R1176-D1217 PolarHBondContact NE-OD1 3.3Å; R1176-D1217 IonicContact NH2-OD1 3.51Å; R1176-D1217 PolarHBondContact NH2-OD1 3.35Å; D1217-E1219 VanDerWaalsContact C-N 3.34Å; D1217-E1219 PolarHBondContact O-N 2.85Å; D1217-V1220 PolarHBondContact O-N 3.46Å; D1217-V1221 VanDerWaalsContact O-CG2 3.26Å; D1217-V1221 WeakPolarHBondContact O-CG2 3.33Å; D1217-V1221 PolarHBondContact O-N 2.96Å |
| 1218 | V | 81.3 | Confident | 84.6 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | G1216 V1221 E1222 F1378 | G1216-V1218 PolarHBondContact O-N 3.45Å; V1218-V1221 PolarHBondContact O-N 3.03Å; V1218-E1222 PolarHBondContact O-N 3.38Å; V1218-F1378 HydrophobicContact CG1-CE1 4.04Å |
| 1219 | E | 87.2 | Confident | 84.5 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 177.6 | -172.5 | -174.9 | 170.6 | 0 | 0 | 111.1 | G1216 D1217 V1221 E1222 R1223 | G1216-E1219 WeakPolarHBondContact O-CB 3.13Å; G1216-E1219 PolarHBondContact O-N 3.05Å; G1216-E1219 VanDerWaalsContact O-N 3.09Å; D1217-E1219 VanDerWaalsContact C-N 3.34Å; D1217-E1219 PolarHBondContact O-N 2.85Å; E1219-V1221 VanDerWaalsContact C-N 3.34Å; E1219-V1221 PolarHBondContact O-N 2.98Å; E1219-E1222 PolarHBondContact O-N 2.88Å; E1219-R1223 HydrophobicContact CG-CG 4.25Å; E1219-R1223 WeakPolarHBondContact O-CB 3.32Å; E1219-R1223 WeakPolarHBondContact O-CG 3.47Å; E1219-R1223 PolarHBondContact O-N 3.1Å; E1219-R1223 IonicContact OE1-NH1 3.48Å; E1219-R1223 PolarHBondContact OE1-NH1 2.99Å |
| 1220 | V | 84.5 | Confident | 84.4 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | R1176 Y1212 L1215 G1216 D1217 E1222 V1224 | R1176-V1220 HydrophobicContact CG-CG1 4.33Å; Y1212-V1220 HydrophobicContact CD2-CG1 3.68Å; Y1212-V1220 HydrophobicContact CD2-CG2 4.45Å; Y1212-V1220 HydrophobicContact CE2-CG1 4.03Å; Y1212-V1220 HydrophobicContact CG-CG1 4.07Å; Y1212-V1220 HydrophobicContact CG-CG2 4.24Å; L1215-V1220 HydrophobicContact CB-CG2 3.68Å; L1215-V1220 HydrophobicContact CD1-CG2 4.24Å; G1216-V1220 WeakPolarHBondContact O-CG2 3.42Å; G1216-V1220 PolarHBondContact O-N 3.43Å; D1217-V1220 PolarHBondContact O-N 3.46Å; V1220-E1222 PolarHBondContact O-N 3.5Å; V1220-V1224 HydrophobicContact CG1-CG2 4.04Å; V1220-V1224 WeakPolarHBondContact O-CB 3.46Å; V1220-V1224 WeakPolarHBondContact O-CG2 3.35Å; V1220-V1224 PolarHBondContact O-N 2.97Å |
| 1221 | V | 82.3 | Confident | 84.7 | Confident | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55 | -54.2 | 178.3 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | I1175 V1183 D1217 V1218 E1219 K1225 | I1175-V1221 HydrophobicContact CG2-CG2 3.26Å; V1183-V1221 HydrophobicContact CG1-CB 4.17Å; V1183-V1221 HydrophobicContact CG1-CG1 3.48Å; V1183-V1221 VanDerWaalsContact CG1-CG1 3.48Å; V1183-V1221 HydrophobicContact CG1-CG2 3.79Å; D1217-V1221 VanDerWaalsContact O-CG2 3.26Å; D1217-V1221 WeakPolarHBondContact O-CG2 3.33Å; D1217-V1221 PolarHBondContact O-N 2.96Å; V1218-V1221 PolarHBondContact O-N 3.03Å; E1219-V1221 VanDerWaalsContact C-N 3.34Å; E1219-V1221 PolarHBondContact O-N 2.98Å; V1221-K1225 HydrophobicContact CG1-CD 3.93Å; V1221-K1225 WeakPolarHBondContact O-CB 3.49Å; V1221-K1225 WeakPolarHBondContact O-CG 3.38Å; V1221-K1225 PolarHBondContact O-N 3.27Å |
| 1222 | E | 87.5 | Confident | 84.7 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | -174.2 | -74.3 | -58.7 | 116.6 | 0 | 0 | 112.4 | V1218 E1219 V1220 K1225 R1226 F1378 | V1218-E1222 PolarHBondContact O-N 3.38Å; E1219-E1222 PolarHBondContact O-N 2.88Å; V1220-E1222 PolarHBondContact O-N 3.5Å; E1222-K1225 PolarHBondContact O-N 2.97Å; E1222-K1225 IonicContact OE1-NZ 3.07Å; E1222-K1225 PolarHBondContact OE1-NZ 2.86Å; E1222-R1226 WeakPolarHBondContact O-CB 3.44Å; E1222-R1226 VanDerWaalsContact O-CG 3.26Å; E1222-R1226 WeakPolarHBondContact O-CG 3.22Å; E1222-R1226 PolarHBondContact O-N 3.03Å; E1222-R1226 IonicContact OE2-CZ 2.66Å; E1222-R1226 IonicContact OE2-NE 3.67Å; E1222-R1226 IonicContact OE2-NH2 2.55Å; E1222-R1226 PolarHBondContact OE2-NH2 2.72Å; E1222-F1378 HydrophobicContact CB-CE2 3.79Å; E1222-F1378 HydrophobicContact CB-CZ 3.65Å; E1222-F1378 HydrophobicContact CG-CE1 4.47Å; E1222-F1378 HydrophobicContact CG-CE2 4.05Å; E1222-F1378 HydrophobicContact CG-CZ 3.72Å |
| 1223 | R | 88.5 | Confident | 84.6 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 30% | 0.302 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.7 | -35.7 | -177.5 | -67.4 | -174.3 | 67.2 | -169.5 | -1.6 | 112.6 | E1219 R1226 K1227 D1228 F1229 | E1219-R1223 HydrophobicContact CG-CG 4.25Å; E1219-R1223 WeakPolarHBondContact O-CB 3.32Å; E1219-R1223 WeakPolarHBondContact O-CG 3.47Å; E1219-R1223 PolarHBondContact O-N 3.1Å; E1219-R1223 IonicContact OE1-NH1 3.48Å; E1219-R1223 PolarHBondContact OE1-NH1 2.99Å; R1223-R1226 PolarHBondContact O-N 3.31Å; R1223-K1227 PolarHBondContact O-N 3.17Å; R1223-K1227 VanDerWaalsContact O-N 3.11Å; R1223-D1228 HydrophobicContact CB-CB 4.05Å; R1223-D1228 HydrophobicContact CG-CB 4.37Å; R1223-D1228 PolarHBondContact O-N 3.26Å; R1223-F1229 HydrophobicContact CB-CD1 3.67Å; R1223-F1229 HydrophobicContact CB-CE1 3.23Å; R1223-F1229 HydrophobicContact CB-CZ 3.85Å; R1223-F1229 HydrophobicContact CG-CD1 4.48Å; R1223-F1229 HydrophobicContact CG-CE1 4.03Å |
| 1224 | V | 86.9 | Confident | 85 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 171 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | P1180 W1195 Y1212 V1220 R1226 K1227 F1229 H1254 | P1180-V1224 HydrophobicContact CB-CG1 4.5Å; P1180-V1224 HydrophobicContact CG-CG1 3.84Å; W1195-V1224 HydrophobicContact CH2-CG1 4.02Å; W1195-V1224 HydrophobicContact CZ2-CG1 3.82Å; Y1212-V1224 HydrophobicContact CE1-CG2 4.4Å; V1220-V1224 HydrophobicContact CG1-CG2 4.04Å; V1220-V1224 WeakPolarHBondContact O-CB 3.46Å; V1220-V1224 WeakPolarHBondContact O-CG2 3.35Å; V1220-V1224 PolarHBondContact O-N 2.97Å; V1224-R1226 PolarHBondContact O-N 3.22Å; V1224-K1227 PolarHBondContact O-N 3.35Å; V1224-F1229 HydrophobicContact CG2-CD2 4.29Å; V1224-F1229 HydrophobicContact CG2-CE2 3.58Å; V1224-F1229 HydrophobicContact CG2-CZ 4.16Å; V1224-H1254 PolarHBondContact O-CD2 3.25Å; V1224-H1254 PolarHBondContact O-NE2 3.08Å; V1224-H1254 VanDerWaalsContact O-NE2 3.08Å |
| 1225 | K | 83.4 | Confident | 85.4 | Confident | 54 Ų | 54 | 52 Ų | 52 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 174 | -79 | 171.1 | -179.5 | 170.9 | 0 | 111.9 | Q1184 V1221 E1222 K1227 H1254 | Q1184-K1225 HydrophobicContact CB-CG 4.43Å; V1221-K1225 HydrophobicContact CG1-CD 3.93Å; V1221-K1225 WeakPolarHBondContact O-CB 3.49Å; V1221-K1225 WeakPolarHBondContact O-CG 3.38Å; V1221-K1225 PolarHBondContact O-N 3.27Å; E1222-K1225 PolarHBondContact O-N 2.97Å; E1222-K1225 IonicContact OE1-NZ 3.07Å; E1222-K1225 PolarHBondContact OE1-NZ 2.86Å; K1225-K1227 PolarHBondContact O-N 3.25Å; K1225-H1254 PolarHBondContact O-CE1 3.17Å; K1225-H1254 PolarHBondContact O-NE2 3.33Å |
| 1226 | R | 85.7 | Confident | 85.6 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -75.9 | -6.1 | -178.3 | -67.9 | 172.7 | -163.6 | -163.8 | 1.5 | 114.2 | E1222 R1223 V1224 D1228 S1377 | E1222-R1226 WeakPolarHBondContact O-CB 3.44Å; E1222-R1226 VanDerWaalsContact O-CG 3.26Å; E1222-R1226 WeakPolarHBondContact O-CG 3.22Å; E1222-R1226 PolarHBondContact O-N 3.03Å; E1222-R1226 IonicContact OE2-CZ 2.66Å; E1222-R1226 IonicContact OE2-NE 3.67Å; E1222-R1226 IonicContact OE2-NH2 2.55Å; E1222-R1226 PolarHBondContact OE2-NH2 2.72Å; R1223-R1226 PolarHBondContact O-N 3.31Å; V1224-R1226 PolarHBondContact O-N 3.22Å; R1226-D1228 WeakPolarHBondContact CB-OD1 3.22Å; R1226-D1228 PolarHBondContact O-N 3.38Å; R1226-S1377 PolarHBondContact NH1-OG 2.97Å; R1226-S1377 PolarHBondContact NH2-OG 3.25Å |
| 1227 | K | 84.4 | Confident | 85.9 | Confident | 134 Ų | 134 | 55 Ų | 55 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 30.5 | -174.2 | -158.3 | -176.8 | 176.2 | -174.7 | 0 | 112 | R1223 V1224 K1225 F1229 H1254 | R1223-K1227 PolarHBondContact O-N 3.17Å; R1223-K1227 VanDerWaalsContact O-N 3.11Å; V1224-K1227 PolarHBondContact O-N 3.35Å; K1225-K1227 PolarHBondContact O-N 3.25Å; K1227-F1229 VanDerWaalsContact C-N 3.3Å; K1227-H1254 HydrophobicContact CD-CB 3.83Å; K1227-H1254 HydrophobicContact CG-CB 3.87Å |
| 1228 | D | 82.8 | Confident | 86 | Confident | 87 Ų | 87 | 52.6 Ų | 52.6 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -71.5 | -28.3 | 178.7 | -66.8 | -17.8 | 0 | 0 | 0 | 111.7 | R1223 R1226 | R1223-D1228 HydrophobicContact CB-CB 4.05Å; R1223-D1228 HydrophobicContact CG-CB 4.37Å; R1223-D1228 PolarHBondContact O-N 3.26Å; R1226-D1228 WeakPolarHBondContact CB-OD1 3.22Å; R1226-D1228 PolarHBondContact O-N 3.38Å |
| 1229 | F | 81.2 | Confident | 86.4 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | trans | -149.6 | 167.7 | 170.9 | 63.1 | -112.4 | 0 | 0 | 0 | 112.7 | Y1212 L1215 R1223 V1224 K1227 E1233 F1234 | Y1212-F1229 HydrophobicContact CD1-CD2 4.03Å; Y1212-F1229 AromaticContact CD1-CE2 3.35Å; Y1212-F1229 HydrophobicContact CD1-CE2 3.35Å; Y1212-F1229 HydrophobicContact CD1-CZ 4.13Å; Y1212-F1229 AromaticContact CE1-CD2 3.85Å; Y1212-F1229 HydrophobicContact CE1-CD2 3.85Å; Y1212-F1229 AromaticContact CE1-CE2 3.39Å; Y1212-F1229 HydrophobicContact CE1-CE2 3.39Å; Y1212-F1229 HydrophobicContact CG-CE2 4.22Å; L1215-F1229 HydrophobicContact CD1-CD1 4.46Å; L1215-F1229 HydrophobicContact CD1-CE1 3.45Å; L1215-F1229 VanDerWaalsContact CD1-CE1 3.45Å; L1215-F1229 HydrophobicContact CD1-CE2 4.44Å; L1215-F1229 HydrophobicContact CD1-CZ 3.46Å; L1215-F1229 VanDerWaalsContact CD1-CZ 3.46Å; R1223-F1229 HydrophobicContact CB-CD1 3.67Å; R1223-F1229 HydrophobicContact CB-CE1 3.23Å; R1223-F1229 HydrophobicContact CB-CZ 3.85Å; R1223-F1229 HydrophobicContact CG-CD1 4.48Å; R1223-F1229 HydrophobicContact CG-CE1 4.03Å; V1224-F1229 HydrophobicContact CG2-CD2 4.29Å; V1224-F1229 HydrophobicContact CG2-CE2 3.58Å; V1224-F1229 HydrophobicContact CG2-CZ 4.16Å; K1227-F1229 VanDerWaalsContact C-N 3.3Å; F1229-E1233 WeakPolarHBondContact CA-OE1 3.17Å; F1229-E1233 VanDerWaalsContact CB-CD 3.49Å; F1229-E1233 WeakPolarHBondContact CB-OE1 3.02Å; F1229-E1233 WeakPolarHBondContact CB-OE2 3.44Å; F1229-F1234 AromaticContact CD2-CE2 3.98Å; F1229-F1234 HydrophobicContact CD2-CE2 3.98Å; F1229-F1234 HydrophobicContact CE2-CE2 4.27Å; F1229-F1234 HydrophobicContact CG-CE2 4.28Å | ||
| 1230 | S | 85 | Confident | 86.4 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | trans | -124.6 | 164 | 164 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | I1232 E1233 | S1230-I1232 PolarHBondContact O-N 2.77Å; S1230-E1233 PolarHBondContact N-OE1 2.85Å; S1230-E1233 PolarHBondContact O-N 3.24Å; S1230-E1233 VanDerWaalsContact O-N 3.09Å | ||
| 1231 | I | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56.9 | -21.6 | 175.2 | -166.3 | 63.3 | 0 | 0 | 0 | 112.2 | I1199 Y1202 P1211 Y1212 E1233 F1234 I1248 C1252 | I1199-I1231 HydrophobicContact CD1-CB 3.9Å; I1199-I1231 HydrophobicContact CD1-CD1 4.45Å; I1199-I1231 HydrophobicContact CD1-CG1 3.93Å; I1199-I1231 HydrophobicContact CD1-CG2 3.95Å; Y1202-I1231 HydrophobicContact CD1-CD1 4.14Å; Y1202-I1231 HydrophobicContact CD1-CG1 4.25Å; Y1202-I1231 HydrophobicContact CD2-CD1 4.03Å; Y1202-I1231 HydrophobicContact CD2-CG1 3.61Å; Y1202-I1231 HydrophobicContact CE1-CD1 4.14Å; Y1202-I1231 HydrophobicContact CE2-CD1 4.01Å; Y1202-I1231 HydrophobicContact CE2-CG1 4.05Å; Y1202-I1231 HydrophobicContact CG-CD1 4.1Å; Y1202-I1231 HydrophobicContact CG-CG1 3.73Å; P1211-I1231 HydrophobicContact CB-CD1 4.2Å; Y1212-I1231 HydrophobicContact CD1-CD1 3.78Å; Y1212-I1231 HydrophobicContact CD2-CD1 4.31Å; Y1212-I1231 HydrophobicContact CE1-CB 3.81Å; Y1212-I1231 HydrophobicContact CE1-CD1 3.68Å; Y1212-I1231 HydrophobicContact CE1-CG1 4.34Å; Y1212-I1231 HydrophobicContact CE2-CD1 4.22Å; Y1212-I1231 HydrophobicContact CG-CD1 4.12Å; I1231-E1233 PolarHBondContact O-N 3.35Å; I1231-F1234 HydrophobicContact CD1-CB 4.34Å; I1231-F1234 WeakPolarHBondContact O-CB 3.32Å; I1231-F1234 PolarHBondContact O-N 3.2Å; I1231-I1248 HydrophobicContact CG2-CG2 3.77Å; I1231-C1252 HydrophobicContact CG2-CB 4.07Å |
| 1232 | I | 90 | Very high | 87 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -57.4 | -33.2 | 176.5 | -60.4 | -56.3 | 0 | 0 | 0 | 113 | S1230 F1234 L1235 I1248 Y1249 | S1230-I1232 PolarHBondContact O-N 2.77Å; I1232-F1234 PolarHBondContact O-N 2.95Å; I1232-L1235 HydrophobicContact CB-CD1 4.43Å; I1232-L1235 HydrophobicContact CD1-CD1 3.67Å; I1232-L1235 HydrophobicContact CD1-CG 4.49Å; I1232-L1235 HydrophobicContact CG2-CD1 4.17Å; I1232-L1235 WeakPolarHBondContact O-CB 3.22Å; I1232-L1235 PolarHBondContact O-N 3.49Å; I1232-I1248 HydrophobicContact CD1-CB 3.88Å; I1232-I1248 HydrophobicContact CD1-CG2 3.54Å; I1232-Y1249 HydrophobicContact CG1-CD2 4.06Å |
| 1233 | E | 88.5 | Confident | 87.2 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -68.3 | -23.8 | 178.8 | -70.7 | 152.5 | -125.3 | 0 | 0 | 112.3 | F1229 S1230 I1231 R1240 | F1229-E1233 WeakPolarHBondContact CA-OE1 3.17Å; F1229-E1233 VanDerWaalsContact CB-CD 3.49Å; F1229-E1233 WeakPolarHBondContact CB-OE1 3.02Å; F1229-E1233 WeakPolarHBondContact CB-OE2 3.44Å; S1230-E1233 PolarHBondContact N-OE1 2.85Å; S1230-E1233 PolarHBondContact O-N 3.24Å; S1230-E1233 VanDerWaalsContact O-N 3.09Å; I1231-E1233 PolarHBondContact O-N 3.35Å; E1233-R1240 PolarHBondContact O-NH2 3.4Å; E1233-R1240 VanDerWaalsContact O-NH2 3.08Å |
| 1234 | F | 90.2 | Very high | 87.5 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -92.7 | 3.2 | 179.1 | -60.9 | -98.1 | 0 | 0 | 0 | 113 | Y1202 Y1212 L1215 F1229 I1231 I1232 | Y1202-F1234 HydrophobicContact CE2-CB 4.15Å; Y1202-F1234 WeakPolarHBondContact CE2-O 2.83Å; Y1212-F1234 AromaticContact CD1-CD2 3.98Å; Y1212-F1234 HydrophobicContact CD1-CD2 3.98Å; Y1212-F1234 AromaticContact CD1-CE2 3.83Å; Y1212-F1234 HydrophobicContact CD1-CE2 3.83Å; Y1212-F1234 HydrophobicContact CD1-CZ 4.38Å; L1215-F1234 HydrophobicContact CD1-CE1 4.47Å; L1215-F1234 HydrophobicContact CD1-CZ 3.85Å; L1215-F1234 HydrophobicContact CG-CZ 4.43Å; F1229-F1234 AromaticContact CD2-CE2 3.98Å; F1229-F1234 HydrophobicContact CD2-CE2 3.98Å; F1229-F1234 HydrophobicContact CE2-CE2 4.27Å; F1229-F1234 HydrophobicContact CG-CE2 4.28Å; I1231-F1234 HydrophobicContact CD1-CB 4.34Å; I1231-F1234 WeakPolarHBondContact O-CB 3.32Å; I1231-F1234 PolarHBondContact O-N 3.2Å; I1232-F1234 PolarHBondContact O-N 2.95Å |
| 1235 | L | 89.6 | Confident | 87.9 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -68.8 | 138.3 | 174.2 | -71.1 | 175.2 | 0 | 0 | 0 | 111 | Y1202 I1205 I1232 S1245 I1248 | Y1202-L1235 HydrophobicContact CD2-CD2 3.79Å; Y1202-L1235 HydrophobicContact CE2-CD2 4.32Å; I1205-L1235 HydrophobicContact CD1-CD2 3.54Å; I1232-L1235 HydrophobicContact CB-CD1 4.43Å; I1232-L1235 HydrophobicContact CD1-CD1 3.67Å; I1232-L1235 HydrophobicContact CD1-CG 4.49Å; I1232-L1235 HydrophobicContact CG2-CD1 4.17Å; I1232-L1235 WeakPolarHBondContact O-CB 3.22Å; I1232-L1235 PolarHBondContact O-N 3.49Å; L1235-S1245 WeakPolarHBondContact CD1-OG 3.47Å; L1235-I1248 HydrophobicContact CD2-CD1 3.91Å |
| 1236 | P | 87.1 | Confident | 88.4 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | trans | -51.6 | 143 | 168.5 | -25.3 | 34 | 0 | 0 | 0 | 111.2 | T1206 A1238 A1239 R1240 F1280 | T1206-P1236 HydrophobicContact CG2-CG 4.17Å; P1236-A1238 PolarHBondContact O-N 2.96Å; P1236-A1239 HydrophobicContact CB-CB 4.45Å; P1236-A1239 WeakPolarHBondContact O-CA 3.18Å; P1236-A1239 WeakPolarHBondContact O-CB 3.36Å; P1236-A1239 PolarHBondContact O-N 3.47Å; P1236-R1240 PolarHBondContact O-N 3.17Å; P1236-F1280 HydrophobicContact CB-CB 4.01Å; P1236-F1280 HydrophobicContact CG-CB 3.99Å | ||
| 1237 | L | 85.1 | Confident | 88.9 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 58% | 0.581 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -56.8 | -40.4 | -176.5 | -70.9 | 173.6 | 0 | 0 | 0 | 112 | A1239 R1240 | L1237-A1239 PolarHBondContact O-N 3.01Å; L1237-R1240 WeakPolarHBondContact O-CB 3.48Å; L1237-R1240 PolarHBondContact O-N 3.33Å; L1237-R1240 VanDerWaalsContact O-N 3.07Å |
| 1238 | A | 84.1 | Confident | 89.5 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -62.5 | -22.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1236 F1280 | P1236-A1238 PolarHBondContact O-N 2.96Å; A1238-F1280 HydrophobicContact CB-CD1 3.86Å; A1238-F1280 HydrophobicContact CB-CE1 4.45Å; A1238-F1280 WeakPolarHBondContact O-CE1 3.39Å |
| 1239 | A | 89.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -84.8 | -17.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1205 P1236 L1237 T1242 S1245 F1280 | I1205-A1239 HydrophobicContact CD1-CB 4.43Å; P1236-A1239 HydrophobicContact CB-CB 4.45Å; P1236-A1239 WeakPolarHBondContact O-CA 3.18Å; P1236-A1239 WeakPolarHBondContact O-CB 3.36Å; P1236-A1239 PolarHBondContact O-N 3.47Å; L1237-A1239 PolarHBondContact O-N 3.01Å; A1239-T1242 WeakPolarHBondContact O-CB 3.36Å; A1239-T1242 VanDerWaalsContact O-CG2 3.28Å; A1239-T1242 WeakPolarHBondContact O-CG2 3.04Å; A1239-T1242 PolarHBondContact O-N 3.33Å; A1239-T1242 PolarHBondContact O-OG1 3.1Å; A1239-S1245 WeakPolarHBondContact O-CB 3.43Å; A1239-F1280 VanDerWaalsContact CA-CE1 3.49Å; A1239-F1280 HydrophobicContact CB-CB 4.3Å; A1239-F1280 HydrophobicContact CB-CD1 3.76Å; A1239-F1280 HydrophobicContact CB-CD2 3.89Å; A1239-F1280 HydrophobicContact CB-CE1 3.94Å; A1239-F1280 HydrophobicContact CB-CE2 4.02Å; A1239-F1280 HydrophobicContact CB-CG 3.71Å; A1239-F1280 HydrophobicContact CB-CZ 4.04Å |
| 1240 | R | 87.1 | Confident | 90.7 | Very high | 114 Ų | 114 | 50.8 Ų | 50.8 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 147.3 | -178.9 | -63.1 | -174.2 | -179.5 | -157.4 | -1 | 110.6 | E1233 P1236 L1237 T1242 | E1233-R1240 PolarHBondContact O-NH2 3.4Å; E1233-R1240 VanDerWaalsContact O-NH2 3.08Å; P1236-R1240 PolarHBondContact O-N 3.17Å; L1237-R1240 WeakPolarHBondContact O-CB 3.48Å; L1237-R1240 PolarHBondContact O-N 3.33Å; L1237-R1240 VanDerWaalsContact O-N 3.07Å; R1240-T1242 PolarHBondContact O-N 3.42Å; R1240-T1242 VanDerWaalsContact O-N 3.12Å |
| 1241 | N | 86.7 | Confident | 91.3 | Very high | 154 Ų | 154 | 49.8 Ų | 49.8 | 82% | 0.824 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 8.4 | -176.7 | -56.9 | -31.5 | 0 | 0 | 0 | 116.2 | ||
| 1242 | T | 92.1 | Very high | 91.5 | Very high | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -82.8 | 164.9 | 172.8 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | A1239 R1240 I1244 S1245 R1246 F1280 | A1239-T1242 WeakPolarHBondContact O-CB 3.36Å; A1239-T1242 VanDerWaalsContact O-CG2 3.28Å; A1239-T1242 WeakPolarHBondContact O-CG2 3.04Å; A1239-T1242 PolarHBondContact O-N 3.33Å; A1239-T1242 PolarHBondContact O-OG1 3.1Å; R1240-T1242 PolarHBondContact O-N 3.42Å; R1240-T1242 VanDerWaalsContact O-N 3.12Å; T1242-I1244 VanDerWaalsContact C-N 3.25Å; T1242-I1244 PolarHBondContact O-N 3.34Å; T1242-I1244 WeakPolarHBondContact OG1-CG2 3.41Å; T1242-S1245 PolarHBondContact O-N 3.15Å; T1242-S1245 PolarHBondContact OG1-N 3.1Å; T1242-R1246 PolarHBondContact O-N 3.38Å; T1242-F1280 HydrophobicContact CG2-CE1 4.32Å; T1242-F1280 HydrophobicContact CG2-CZ 4.08Å |
| 1243 | T | 92.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.3 | -40.9 | 172.3 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | R1246 L1247 I1269 N1273 C1276 | T1243-R1246 PolarHBondContact O-N 3.02Å; T1243-L1247 PolarHBondContact O-N 2.9Å; T1243-I1269 HydrophobicContact CG2-CG2 4.19Å; T1243-N1273 HydrophobicContact CG2-CB 4.32Å; T1243-C1276 HydrophobicContact CG2-CB 4.35Å |
| 1244 | I | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70 | -38.2 | -178.4 | -168.6 | 56 | 0 | 0 | 0 | 112.4 | L1201 I1205 T1242 R1246 L1247 I1248 C1276 V1277 F1280 | L1201-I1244 HydrophobicContact CB-CD1 4.44Å; L1201-I1244 HydrophobicContact CD1-CD1 3.95Å; L1201-I1244 HydrophobicContact CD2-CD1 4.2Å; L1201-I1244 HydrophobicContact CG-CD1 4.44Å; I1205-I1244 HydrophobicContact CG2-CG1 3.86Å; I1205-I1244 HydrophobicContact CG2-CG2 4.45Å; T1242-I1244 VanDerWaalsContact C-N 3.25Å; T1242-I1244 PolarHBondContact O-N 3.34Å; T1242-I1244 WeakPolarHBondContact OG1-CG2 3.41Å; I1244-R1246 VanDerWaalsContact C-N 3.32Å; I1244-R1246 PolarHBondContact O-N 3.48Å; I1244-L1247 HydrophobicContact CD1-CB 4.44Å; I1244-L1247 HydrophobicContact CD1-CD2 4.14Å; I1244-L1247 WeakPolarHBondContact O-CB 3.34Å; I1244-L1247 PolarHBondContact O-N 3.48Å; I1244-L1247 VanDerWaalsContact O-N 3.16Å; I1244-I1248 HydrophobicContact CG1-CD1 4.32Å; I1244-I1248 WeakPolarHBondContact O-CG1 3.24Å; I1244-I1248 PolarHBondContact O-N 3.27Å; I1244-C1276 WeakPolarHBondContact CG2-O 3.33Å; I1244-V1277 HydrophobicContact CD1-CG2 3.87Å; I1244-V1277 HydrophobicContact CG1-CG2 4.36Å; I1244-F1280 HydrophobicContact CG2-CE2 3.99Å; I1244-F1280 HydrophobicContact CG2-CZ 4.34Å |
| 1245 | S | 93.9 | Very high | 92 | Very high | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.2 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | L1235 A1239 T1242 L1247 I1248 Y1249 | L1235-S1245 WeakPolarHBondContact CD1-OG 3.47Å; A1239-S1245 WeakPolarHBondContact O-CB 3.43Å; T1242-S1245 PolarHBondContact O-N 3.15Å; T1242-S1245 PolarHBondContact OG1-N 3.1Å; S1245-L1247 VanDerWaalsContact C-N 3.33Å; S1245-L1247 PolarHBondContact O-N 3Å; S1245-I1248 PolarHBondContact O-N 2.92Å; S1245-Y1249 WeakPolarHBondContact O-CB 3.46Å; S1245-Y1249 PolarHBondContact O-N 3.27Å |
| 1246 | R | 94.9 | Very high | 92.1 | Very high | 133 Ų | 133 | 51.9 Ų | 51.9 | 50% | 0.502 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.7 | -168.8 | -179.6 | -58.7 | 96.8 | 4.7 | 111.9 | T1242 T1243 I1244 Y1249 Q1250 | T1242-R1246 PolarHBondContact O-N 3.38Å; T1243-R1246 PolarHBondContact O-N 3.02Å; I1244-R1246 VanDerWaalsContact C-N 3.32Å; I1244-R1246 PolarHBondContact O-N 3.48Å; R1246-Y1249 PolarHBondContact O-N 3.24Å; R1246-Q1250 WeakPolarHBondContact O-CG 3.46Å; R1246-Q1250 PolarHBondContact O-N 3.39Å |
| 1247 | L | 95.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 177.7 | -172.5 | 60.7 | 0 | 0 | 0 | 112.1 | L1201 T1243 I1244 S1245 Y1249 Q1250 C1251 I1266 I1269 L1270 | L1201-L1247 HydrophobicContact CD1-CD2 3.9Å; L1201-L1247 HydrophobicContact CD1-CG 3.99Å; T1243-L1247 PolarHBondContact O-N 2.9Å; I1244-L1247 HydrophobicContact CD1-CB 4.44Å; I1244-L1247 HydrophobicContact CD1-CD2 4.14Å; I1244-L1247 WeakPolarHBondContact O-CB 3.34Å; I1244-L1247 PolarHBondContact O-N 3.48Å; I1244-L1247 VanDerWaalsContact O-N 3.16Å; S1245-L1247 VanDerWaalsContact C-N 3.33Å; S1245-L1247 PolarHBondContact O-N 3Å; L1247-Y1249 VanDerWaalsContact C-N 3.26Å; L1247-Y1249 PolarHBondContact O-N 2.03Å; L1247-Q1250 PolarHBondContact O-N 2.9Å; L1247-C1251 PolarHBondContact O-N 2.87Å; L1247-C1251 PolarHBondContact O-SG 3.35Å; L1247-I1266 HydrophobicContact CD1-CB 4.46Å; L1247-I1266 HydrophobicContact CD1-CG1 4.15Å; L1247-I1266 HydrophobicContact CD1-CG2 4.16Å; L1247-I1266 HydrophobicContact CD2-CG2 4.14Å; L1247-I1266 HydrophobicContact CG-CG2 4.49Å; L1247-I1269 HydrophobicContact CD1-CD1 3.9Å; L1247-I1269 HydrophobicContact CD1-CG2 4.36Å; L1247-I1269 HydrophobicContact CD2-CG2 4.42Å; L1247-L1270 HydrophobicContact CD2-CD2 3.63Å; L1247-L1270 HydrophobicContact CD2-CG 3.99Å |
| 1248 | I | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 173.2 | -64.5 | 170.2 | 0 | 0 | 0 | 109.8 | L1201 I1205 I1231 I1232 L1235 I1244 S1245 Q1250 C1251 C1252 | L1201-I1248 HydrophobicContact CB-CD1 4.11Å; L1201-I1248 HydrophobicContact CB-CG1 3.73Å; L1201-I1248 HydrophobicContact CD1-CG1 4.18Å; I1205-I1248 HydrophobicContact CD1-CD1 3.57Å; I1205-I1248 HydrophobicContact CG1-CD1 4.46Å; I1231-I1248 HydrophobicContact CG2-CG2 3.77Å; I1232-I1248 HydrophobicContact CD1-CB 3.88Å; I1232-I1248 HydrophobicContact CD1-CG2 3.54Å; L1235-I1248 HydrophobicContact CD2-CD1 3.91Å; I1244-I1248 HydrophobicContact CG1-CD1 4.32Å; I1244-I1248 WeakPolarHBondContact O-CG1 3.24Å; I1244-I1248 PolarHBondContact O-N 3.27Å; S1245-I1248 PolarHBondContact O-N 2.92Å; I1248-Q1250 PolarHBondContact O-N 3.42Å; I1248-C1251 PolarHBondContact O-N 3.07Å; I1248-C1252 WeakPolarHBondContact O-CB 3.48Å; I1248-C1252 PolarHBondContact O-N 3.16Å |
| 1249 | Y | 95 | Very high | 93.2 | Very high | 123 Ų | 123 | 56.3 Ų | 56.3 | 48% | 0.482 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 178.8 | 173.1 | -104.7 | 0 | 0 | 0 | 111.8 | I1232 S1245 R1246 L1247 C1252 Q1253 | I1232-Y1249 HydrophobicContact CG1-CD2 4.06Å; S1245-Y1249 WeakPolarHBondContact O-CB 3.46Å; S1245-Y1249 PolarHBondContact O-N 3.27Å; R1246-Y1249 PolarHBondContact O-N 3.24Å; L1247-Y1249 VanDerWaalsContact C-N 3.26Å; L1247-Y1249 PolarHBondContact O-N 2.03Å; Y1249-C1252 CarbonylContact O-C 3.54Å; Y1249-C1252 PolarHBondContact O-N 3.14Å; Y1249-Q1253 PolarHBondContact O-N 3.45Å; Y1249-Q1253 PolarHBondContact O-NE2 3.39Å; Y1249-Q1253 PolarHBondContact OH-NE2 3.14Å |
| 1250 | Q | 95.3 | Very high | 93.5 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.5 | -74 | 173.1 | -26.3 | 0 | 0 | 111.7 | R1246 L1247 I1248 R1259 P1260 | R1246-Q1250 WeakPolarHBondContact O-CG 3.46Å; R1246-Q1250 PolarHBondContact O-N 3.39Å; L1247-Q1250 PolarHBondContact O-N 2.9Å; I1248-Q1250 PolarHBondContact O-N 3.42Å; Q1250-R1259 WeakPolarHBondContact O-CA 3.35Å; Q1250-P1260 HydrophobicContact CB-CG 4.3Å; Q1250-P1260 WeakPolarHBondContact O-CD 3.39Å |
| 1251 | C | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 178 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | I1194 L1247 I1248 Q1253 R1259 | I1194-C1251 HydrophobicContact CG2-CB 4.22Å; L1247-C1251 PolarHBondContact O-N 2.87Å; L1247-C1251 PolarHBondContact O-SG 3.35Å; I1248-C1251 PolarHBondContact O-N 3.07Å; C1251-Q1253 PolarHBondContact O-N 3.38Å; C1251-R1259 VanDerWaalsContact O-CD 3.23Å; C1251-R1259 WeakPolarHBondContact O-CD 3.26Å; C1251-R1259 WeakPolarHBondContact O-CG 3.31Å |
| 1252 | C | 95.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 35.2 | -176 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | W1195 I1231 I1248 Y1249 | W1195-C1252 HydrophobicContact CE3-CB 4.17Å; W1195-C1252 HydrophobicContact CH2-CB 4.45Å; W1195-C1252 VanDerWaalsContact CZ3-C 3.49Å; W1195-C1252 HydrophobicContact CZ3-CB 4.14Å; W1195-C1252 WeakPolarHBondContact CZ3-O 3.39Å; I1231-C1252 HydrophobicContact CG2-CB 4.07Å; I1248-C1252 WeakPolarHBondContact O-CB 3.48Å; I1248-C1252 PolarHBondContact O-N 3.16Å; Y1249-C1252 CarbonylContact O-C 3.54Å; Y1249-C1252 PolarHBondContact O-N 3.14Å |
| 1253 | Q | 95 | Very high | 94 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | trans | -68.3 | 132.1 | 168.4 | -71.6 | -59.1 | -49.2 | 0 | 0 | 110.5 | W1195 Y1249 C1251 Q1255 H1258 R1259 | W1195-Q1253 WeakPolarHBondContact CZ3-O 3.22Å; Y1249-Q1253 PolarHBondContact O-N 3.45Å; Y1249-Q1253 PolarHBondContact O-NE2 3.39Å; Y1249-Q1253 PolarHBondContact OH-NE2 3.14Å; C1251-Q1253 PolarHBondContact O-N 3.38Å; Q1253-Q1255 PolarHBondContact O-N 3.41Å; Q1253-H1258 HydrophobicContact CB-CB 3.93Å; Q1253-H1258 HydrophobicContact CG-CB 3.96Å; Q1253-R1259 HydrophobicContact CB-CG 3.91Å; Q1253-R1259 PolarHBondContact O-NE 3.49Å; Q1253-R1259 PolarHBondContact O-NH2 2.94Å | ||
| 1254 | H | 93.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -59.4 | -50.4 | -178.3 | -173.7 | -86 | 0 | 0 | 0 | 111.8 | V1224 K1225 K1227 W1256 R1259 | V1224-H1254 PolarHBondContact O-CD2 3.25Å; V1224-H1254 PolarHBondContact O-NE2 3.08Å; V1224-H1254 VanDerWaalsContact O-NE2 3.08Å; K1225-H1254 PolarHBondContact O-CE1 3.17Å; K1225-H1254 PolarHBondContact O-NE2 3.33Å; K1227-H1254 HydrophobicContact CD-CB 3.83Å; K1227-H1254 HydrophobicContact CG-CB 3.87Å; H1254-W1256 PolarHBondContact O-N 2.78Å; H1254-R1259 PolarHBondContact O-NH2 3.46Å |
| 1255 | Q | 91.5 | Very high | 94 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.9 | 113.8 | 170.6 | -66.7 | -67.2 | -14.5 | 0 | 0 | 109.7 | Q1253 Q1257 H1258 | Q1253-Q1255 PolarHBondContact O-N 3.41Å; Q1255-Q1257 PolarHBondContact O-N 3.48Å; Q1255-H1258 PolarHBondContact O-N 3.36Å |
| 1256 | W | 91.1 | Very high | 94.2 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -53.1 | -33.4 | -179.1 | 63.2 | -26.4 | 0 | 0 | 0 | 114.7 | E1181 I1187 H1191 H1254 H1258 R1259 | E1181-W1256 HydrophobicContact CG-CE3 4.13Å; I1187-W1256 HydrophobicContact CG2-CH2 4.3Å; I1187-W1256 HydrophobicContact CG2-CZ3 3.92Å; H1191-W1256 HydrophobicContact CB-CB 3.99Å; H1191-W1256 PolarHBondContact CD2-O 3.21Å; H1191-W1256 VanDerWaalsContact CD2-O 3.22Å; H1254-W1256 PolarHBondContact O-N 2.78Å; W1256-H1258 PolarHBondContact O-N 3.42Å; W1256-R1259 WeakPolarHBondContact O-CB 3.46Å; W1256-R1259 PolarHBondContact O-N 2.93Å |
| 1257 | Q | 90.4 | Very high | 94.3 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -70.3 | -15 | 178.7 | -48.6 | 92.5 | -23.6 | 0 | 0 | 113.8 | Q1255 | Q1255-Q1257 PolarHBondContact O-N 3.48Š|
| 1258 | H | 93.6 | Very high | 94.3 | Very high | 130 Ų | 130 | 50.6 Ų | 50.6 | 60% | 0.602 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -90.5 | -6.6 | 176.5 | -61.9 | 150.1 | 0 | 0 | 0 | 113.1 | Q1253 Q1255 W1256 | Q1253-H1258 HydrophobicContact CB-CB 3.93Å; Q1253-H1258 HydrophobicContact CG-CB 3.96Å; Q1255-H1258 PolarHBondContact O-N 3.36Å; W1256-H1258 PolarHBondContact O-N 3.42Å |
| 1259 | R | 96.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 53 Ų | 53 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -73.6 | 159.8 | 172.3 | -56.9 | 176.3 | -164.2 | 149.4 | 13.2 | 109 | E1181 H1191 I1194 Q1250 C1251 Q1253 H1254 W1256 A1261 | E1181-R1259 IonicContact OE1-CZ 3.97Å; E1181-R1259 IonicContact OE1-NH1 3.78Å; E1181-R1259 PolarHBondContact OE1-NH1 2.89Å; E1181-R1259 IonicContact OE1-NH2 3.12Å; E1181-R1259 IonicContact OE2-CZ 2.62Å; E1181-R1259 IonicContact OE2-NH1 3.28Å; E1181-R1259 IonicContact OE2-NH2 2.94Å; E1181-R1259 PolarHBondContact OE2-NH2 3.18Å; H1191-R1259 WeakPolarHBondContact O-CD 3.09Å; H1191-R1259 PolarHBondContact O-NH1 2.92Å; I1194-R1259 HydrophobicContact CG2-CB 4.17Å; Q1250-R1259 WeakPolarHBondContact O-CA 3.35Å; C1251-R1259 VanDerWaalsContact O-CD 3.23Å; C1251-R1259 WeakPolarHBondContact O-CD 3.26Å; C1251-R1259 WeakPolarHBondContact O-CG 3.31Å; Q1253-R1259 HydrophobicContact CB-CG 3.91Å; Q1253-R1259 PolarHBondContact O-NE 3.49Å; Q1253-R1259 PolarHBondContact O-NH2 2.94Å; H1254-R1259 PolarHBondContact O-NH2 3.46Å; W1256-R1259 WeakPolarHBondContact O-CB 3.46Å; W1256-R1259 PolarHBondContact O-N 2.93Å; R1259-A1261 PolarHBondContact O-N 3.49Å |
| 1260 | P | 94.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.071 | 25% | 0.246 | C | C | . | . | trans | -51.1 | 136.4 | 172 | -28.6 | 36.6 | 0 | 0 | 0 | 111.2 | I1194 Q1250 S1262 Q1265 I1266 | I1194-P1260 WeakPolarHBondContact CD1-O 3.1Å; Q1250-P1260 HydrophobicContact CB-CG 4.3Å; Q1250-P1260 WeakPolarHBondContact O-CD 3.39Å; P1260-S1262 PolarHBondContact O-N 2.77Å; P1260-Q1265 HydrophobicContact CB-CB 4.45Å; P1260-I1266 HydrophobicContact CB-CD1 4.05Å; P1260-I1266 HydrophobicContact CB-CG1 3.99Å; P1260-I1266 HydrophobicContact CG-CD1 3.98Å; P1260-I1266 HydrophobicContact CG-CG1 3.89Å | ||
| 1261 | A | 88.8 | Confident | 94.3 | Very high | 64 Ų | 64 | 51.1 Ų | 51.1 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -69.4 | -23.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1259 | R1259-A1261 PolarHBondContact O-N 3.49Š|
| 1262 | S | 92.2 | Very high | 94.2 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -151.2 | 159.9 | 176.2 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | P1260 D1264 Q1265 | P1260-S1262 PolarHBondContact O-N 2.77Å; S1262-D1264 PolarHBondContact O-N 2.74Å; S1262-D1264 PolarHBondContact OG-N 3.28Å; S1262-Q1265 PolarHBondContact O-N 2.81Å |
| 1263 | L | 95.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -24 | 174.2 | -84.2 | -66.3 | 0 | 0 | 0 | 112.2 | A1116 L1119 A1120 I1194 Y1197 Q1265 I1266 I1267 | A1116-L1263 HydrophobicContact CB-CD1 4.03Å; L1119-L1263 HydrophobicContact CB-CG 4.36Å; L1119-L1263 HydrophobicContact CD2-CD1 4.25Å; L1119-L1263 HydrophobicContact CD2-CD2 4.34Å; L1119-L1263 HydrophobicContact CD2-CG 4.31Å; L1119-L1263 HydrophobicContact CG-CD2 4.39Å; L1119-L1263 HydrophobicContact CG-CG 4.33Å; A1120-L1263 HydrophobicContact CB-CB 3.79Å; I1194-L1263 HydrophobicContact CD1-CD2 3.83Å; I1194-L1263 HydrophobicContact CG1-CD2 3.39Å; Y1197-L1263 HydrophobicContact CD1-CD1 4.26Å; Y1197-L1263 HydrophobicContact CD2-CD1 4.47Å; Y1197-L1263 HydrophobicContact CG-CD1 4.23Å; L1263-Q1265 PolarHBondContact O-N 2.82Å; L1263-I1266 HydrophobicContact CD1-CD1 3.97Å; L1263-I1266 WeakPolarHBondContact O-CB 3.33Å; L1263-I1266 PolarHBondContact O-N 3.43Å; L1263-I1267 HydrophobicContact CB-CD1 4.49Å; L1263-I1267 VanDerWaalsContact O-CG1 3.31Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.35Å; L1263-I1267 PolarHBondContact O-N 3.17Å |
| 1264 | D | 94.6 | Very high | 94.1 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -34.1 | 178.6 | -62.1 | -53.2 | 0 | 0 | 0 | 112.2 | R1124 S1262 I1267 A1268 | R1124-D1264 IonicContact NH1-OD1 2.69Å; S1262-D1264 PolarHBondContact O-N 2.74Å; S1262-D1264 PolarHBondContact OG-N 3.28Å; D1264-I1267 PolarHBondContact O-N 3.1Å; D1264-A1268 WeakPolarHBondContact O-CB 3.44Å; D1264-A1268 PolarHBondContact O-N 3.23Å |
| 1265 | Q | 93.5 | Very high | 93.9 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.6 | -62.4 | -177.6 | 10.9 | 0 | 0 | 111.4 | P1260 S1262 L1263 A1268 I1269 | P1260-Q1265 HydrophobicContact CB-CB 4.45Å; S1262-Q1265 PolarHBondContact O-N 2.81Å; L1263-Q1265 PolarHBondContact O-N 2.82Å; Q1265-A1268 PolarHBondContact O-N 3.39Å; Q1265-I1269 WeakPolarHBondContact O-CG1 3.28Å; Q1265-I1269 PolarHBondContact O-N 2.75Å |
| 1266 | I | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 178 | -66.3 | 168.9 | 0 | 0 | 0 | 109.9 | I1194 Y1197 L1247 P1260 L1263 A1268 I1269 L1270 | I1194-I1266 HydrophobicContact CG2-CD1 4.1Å; Y1197-I1266 HydrophobicContact CD1-CD1 4.38Å; Y1197-I1266 HydrophobicContact CD1-CG2 4.36Å; Y1197-I1266 HydrophobicContact CE1-CG2 3.54Å; L1247-I1266 HydrophobicContact CD1-CB 4.46Å; L1247-I1266 HydrophobicContact CD1-CG1 4.15Å; L1247-I1266 HydrophobicContact CD1-CG2 4.16Å; L1247-I1266 HydrophobicContact CD2-CG2 4.14Å; L1247-I1266 HydrophobicContact CG-CG2 4.49Å; P1260-I1266 HydrophobicContact CB-CD1 4.05Å; P1260-I1266 HydrophobicContact CB-CG1 3.99Å; P1260-I1266 HydrophobicContact CG-CD1 3.98Å; P1260-I1266 HydrophobicContact CG-CG1 3.89Å; L1263-I1266 HydrophobicContact CD1-CD1 3.97Å; L1263-I1266 WeakPolarHBondContact O-CB 3.33Å; L1263-I1266 PolarHBondContact O-N 3.43Å; I1266-A1268 VanDerWaalsContact C-N 3.32Å; I1266-A1268 PolarHBondContact O-N 3.48Å; I1266-I1269 WeakPolarHBondContact O-CB 3.37Å; I1266-I1269 PolarHBondContact O-N 2.81Å; I1266-I1269 VanDerWaalsContact O-N 3.13Å; I1266-L1270 HydrophobicContact CG2-CD1 4.28Å; I1266-L1270 PolarHBondContact O-N 3.33Å |
| 1267 | I | 97.3 | Very high | 94 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 177.2 | -67.2 | 161.3 | 0 | 0 | 0 | 110.8 | A1116 E1117 A1120 L1263 D1264 I1269 L1270 R1271 | A1116-I1267 HydrophobicContact CB-CD1 4.05Å; A1116-I1267 HydrophobicContact CB-CG1 3.55Å; E1117-I1267 HydrophobicContact CG-CD1 3.78Å; E1117-I1267 HydrophobicContact CG-CG1 4.37Å; A1120-I1267 HydrophobicContact CB-CD1 4.36Å; L1263-I1267 HydrophobicContact CB-CD1 4.49Å; L1263-I1267 VanDerWaalsContact O-CG1 3.31Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.35Å; L1263-I1267 PolarHBondContact O-N 3.17Å; D1264-I1267 PolarHBondContact O-N 3.1Å; I1267-I1269 VanDerWaalsContact C-N 3.31Å; I1267-I1269 PolarHBondContact O-N 3.01Å; I1267-L1270 PolarHBondContact O-N 3.28Å; I1267-R1271 HydrophobicContact CG2-CG 4.27Å; I1267-R1271 WeakPolarHBondContact O-CB 3.31Å; I1267-R1271 WeakPolarHBondContact O-CG 3.29Å; I1267-R1271 PolarHBondContact O-N 3.19Å |
| 1268 | A | 95.5 | Very high | 94.1 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 49% | 0.488 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1264 Q1265 I1266 K1272 | D1264-A1268 WeakPolarHBondContact O-CB 3.44Å; D1264-A1268 PolarHBondContact O-N 3.23Å; Q1265-A1268 PolarHBondContact O-N 3.39Å; I1266-A1268 VanDerWaalsContact C-N 3.32Å; I1266-A1268 PolarHBondContact O-N 3.48Å; A1268-K1272 WeakPolarHBondContact O-CB 3.35Å; A1268-K1272 PolarHBondContact O-N 2.86Å; A1268-K1272 VanDerWaalsContact O-N 3.1Å |
| 1269 | I | 95 | Very high | 93.7 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 176 | -66.4 | 165.7 | 0 | 0 | 0 | 110.8 | T1243 L1247 Q1265 I1266 I1267 K1272 N1273 | T1243-I1269 HydrophobicContact CG2-CG2 4.19Å; L1247-I1269 HydrophobicContact CD1-CD1 3.9Å; L1247-I1269 HydrophobicContact CD1-CG2 4.36Å; L1247-I1269 HydrophobicContact CD2-CG2 4.42Å; Q1265-I1269 WeakPolarHBondContact O-CG1 3.28Å; Q1265-I1269 PolarHBondContact O-N 2.75Å; I1266-I1269 WeakPolarHBondContact O-CB 3.37Å; I1266-I1269 PolarHBondContact O-N 2.81Å; I1266-I1269 VanDerWaalsContact O-N 3.13Å; I1267-I1269 VanDerWaalsContact C-N 3.31Å; I1267-I1269 PolarHBondContact O-N 3.01Å; I1269-K1272 PolarHBondContact O-N 3.5Å; I1269-N1273 PolarHBondContact O-N 3.06Å; I1269-N1273 PolarHBondContact O-ND2 3.4Å |
| 1270 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 179.5 | -67.4 | 174.7 | 0 | 0 | 0 | 111.8 | T1109 A1112 I1113 Y1197 L1247 I1266 I1267 K1272 N1273 V1277 | T1109-L1270 HydrophobicContact CG2-CB 4.22Å; T1109-L1270 HydrophobicContact CG2-CD2 4.36Å; A1112-L1270 HydrophobicContact CB-CD1 4.05Å; I1113-L1270 HydrophobicContact CD1-CB 4Å; I1113-L1270 HydrophobicContact CG1-CB 3.62Å; I1113-L1270 HydrophobicContact CG1-CD1 3.91Å; I1113-L1270 HydrophobicContact CG1-CG 4.42Å; Y1197-L1270 WeakPolarHBondContact OH-CD1 3.48Å; L1247-L1270 HydrophobicContact CD2-CD2 3.63Å; L1247-L1270 HydrophobicContact CD2-CG 3.99Å; I1266-L1270 HydrophobicContact CG2-CD1 4.28Å; I1266-L1270 PolarHBondContact O-N 3.33Å; I1267-L1270 PolarHBondContact O-N 3.28Å; L1270-K1272 VanDerWaalsContact C-N 3.3Å; L1270-K1272 PolarHBondContact O-N 3.14Å; L1270-N1273 CarbonylContact O-C 3.19Å; L1270-N1273 PolarHBondContact O-N 3.32Å; L1270-N1273 VanDerWaalsContact O-O 3.1Å; L1270-V1277 HydrophobicContact CD2-CG2 4.01Å |
| 1271 | R | 96.1 | Very high | 92.3 | Very high | 156 Ų | 156 | 52.4 Ų | 52.4 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.1 | -33.3 | 177.3 | -72.4 | 178.6 | 179.5 | 172.4 | -1.4 | 113.1 | I1113 E1117 I1267 N1273 | I1113-R1271 HydrophobicContact CD1-CG 3.93Å; E1117-R1271 IonicContact OE1-CZ 3.67Å; E1117-R1271 IonicContact OE1-NE 3.02Å; E1117-R1271 IonicContact OE1-NH2 3.23Å; E1117-R1271 PolarHBondContact OE1-NH2 3.06Å; I1267-R1271 HydrophobicContact CG2-CG 4.27Å; I1267-R1271 WeakPolarHBondContact O-CB 3.31Å; I1267-R1271 WeakPolarHBondContact O-CG 3.29Å; I1267-R1271 PolarHBondContact O-N 3.19Å; R1271-N1273 PolarHBondContact O-N 3.41Å |
| 1272 | K | 95.9 | Very high | 90.7 | Very high | 175 Ų | 175 | 53.3 Ų | 53.3 | 76% | 0.761 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.8 | -19.5 | 173.9 | -173.8 | 174 | 179.1 | 179.9 | 0 | 112.5 | A1268 I1269 L1270 | A1268-K1272 WeakPolarHBondContact O-CB 3.35Å; A1268-K1272 PolarHBondContact O-N 2.86Å; A1268-K1272 VanDerWaalsContact O-N 3.1Å; I1269-K1272 PolarHBondContact O-N 3.5Å; L1270-K1272 VanDerWaalsContact C-N 3.3Å; L1270-K1272 PolarHBondContact O-N 3.14Å |
| 1273 | N | 95.8 | Very high | 88.4 | Confident | 51 Ų | 51 | 57 Ų | 57 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | trans | -132 | 71.4 | -177.2 | -56.4 | -96.4 | 0 | 0 | 0 | 110.4 | T1243 I1269 L1270 R1271 D1275 C1276 | T1243-N1273 HydrophobicContact CG2-CB 4.32Å; I1269-N1273 PolarHBondContact O-N 3.06Å; I1269-N1273 PolarHBondContact O-ND2 3.4Å; L1270-N1273 CarbonylContact O-C 3.19Å; L1270-N1273 PolarHBondContact O-N 3.32Å; L1270-N1273 VanDerWaalsContact O-O 3.1Å; R1271-N1273 PolarHBondContact O-N 3.41Å; N1273-D1275 PolarHBondContact O-N 3.25Å; N1273-C1276 HydrophobicContact CB-CB 3.73Å; N1273-C1276 WeakPolarHBondContact O-CB 3.33Å; N1273-C1276 PolarHBondContact O-N 2.82Å; N1273-C1276 VanDerWaalsContact O-N 3.08Å; N1273-C1276 PolarHBondContact O-SG 3.25Å | ||
| 1274 | P | 91.7 | Very high | 85.5 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19 | -170.9 | 24.6 | -34.9 | 0 | 0 | 0 | 114.7 | A1106 T1109 | A1106-P1274 WeakPolarHBondContact CA-O 3.13Å; T1109-P1274 WeakPolarHBondContact CB-O 3.41Å; T1109-P1274 WeakPolarHBondContact CG2-O 3.36Å; T1109-P1274 PolarHBondContact OG1-O 3.27Å |
| 1275 | D | 89.1 | Confident | 82.5 | Confident | 87 Ų | 87 | 65.5 Ų | 65.5 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 21.3 | 179.8 | -54.7 | -51.3 | 0 | 0 | 0 | 113.3 | P1105 N1273 R1278 | P1105-D1275 HydrophobicContact CB-CB 3.85Å; N1273-D1275 PolarHBondContact O-N 3.25Å; D1275-R1278 PolarHBondContact O-NE 3.45Å; D1275-R1278 PolarHBondContact O-NH2 2.94Å |
| 1276 | C | 91.9 | Very high | 79.7 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | trans | -80.1 | -32 | -176 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | T1243 I1244 N1273 | T1243-C1276 HydrophobicContact CG2-CB 4.35Å; I1244-C1276 WeakPolarHBondContact CG2-O 3.33Å; N1273-C1276 HydrophobicContact CB-CB 3.73Å; N1273-C1276 WeakPolarHBondContact O-CB 3.33Å; N1273-C1276 PolarHBondContact O-N 2.82Å; N1273-C1276 VanDerWaalsContact O-N 3.08Å; N1273-C1276 PolarHBondContact O-SG 3.25Å | ||
| 1277 | V | 93.2 | Very high | 76.6 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -86.8 | 119 | 172.3 | -171.3 | 0 | 0 | 0 | 0 | 107.2 | P1105 L1108 T1109 A1112 I1204 I1205 I1244 L1270 | P1105-V1277 CarbonylContact C-O 3.58Å; P1105-V1277 WeakPolarHBondContact CA-O 3.28Å; P1105-V1277 VanDerWaalsContact O-O 3.06Å; L1108-V1277 HydrophobicContact CB-CB 4.19Å; L1108-V1277 HydrophobicContact CB-CG1 3.8Å; T1109-V1277 HydrophobicContact CG2-CG2 4.33Å; T1109-V1277 WeakPolarHBondContact OG1-CB 3.01Å; T1109-V1277 PolarHBondContact OG1-N 3.37Å; T1109-V1277 VanDerWaalsContact OG1-N 3.11Å; T1109-V1277 PolarHBondContact OG1-O 3.41Å; A1112-V1277 HydrophobicContact CB-CG2 4.09Å; I1204-V1277 HydrophobicContact CB-CG1 4.5Å; I1204-V1277 HydrophobicContact CG2-CG1 3.59Å; I1205-V1277 HydrophobicContact CG2-CG1 3.84Å; I1244-V1277 HydrophobicContact CD1-CG2 3.87Å; I1244-V1277 HydrophobicContact CG1-CG2 4.36Å; L1270-V1277 HydrophobicContact CD2-CG2 4.01Å |
| 1278 | R | 91.4 | Very high | 73.5 | Confident | 88 Ų | 88 | 81.1 Ų | 81.1 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | trans | -147.7 | 163.6 | -178.5 | 68.8 | -176.1 | 74.7 | 130.3 | -1 | 110.7 | P1105 D1275 F1280 | P1105-R1278 HydrophobicContact CB-CB 4.08Å; P1105-R1278 HydrophobicContact CG-CB 3.91Å; D1275-R1278 PolarHBondContact O-NE 3.45Å; D1275-R1278 PolarHBondContact O-NH2 2.94Å; R1278-F1280 HydrophobicContact CG-CD2 4.04Å; R1278-F1280 HydrophobicContact CG-CE1 4.08Å; R1278-F1280 HydrophobicContact CG-CE2 3.42Å; R1278-F1280 VanDerWaalsContact CG-CE2 3.42Å; R1278-F1280 HydrophobicContact CG-CZ 3.46Å; R1278-F1280 VanDerWaalsContact CG-CZ 3.46Å; R1278-F1280 WeakPolarHBondContact O-CD2 3.36Å; R1278-F1280 WeakPolarHBondContact O-CE2 3.43Å; R1278-F1280 PolarHBondContact O-N 3.2Å | ||
| 1279 | P | 86.4 | Confident | 70.4 | Confident | 25 Ų | 25 | 86.1 Ų | 86.1 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | trans | -66.5 | 123.4 | 174.7 | -12.5 | 26.5 | 0 | 0 | 0 | 111.3 | A1094 L1108 F1207 L1281 | A1094-P1279 HydrophobicContact CB-CB 4.08Å; A1094-P1279 HydrophobicContact CB-CG 3.95Å; L1108-P1279 HydrophobicContact CD1-CG 3.98Å; F1207-P1279 HydrophobicContact CD2-CB 4.04Å; F1207-P1279 HydrophobicContact CE2-CB 3.38Å; F1207-P1279 HydrophobicContact CE2-CG 3.57Å; F1207-P1279 HydrophobicContact CZ-CB 3.85Å; F1207-P1279 HydrophobicContact CZ-CG 3.64Å; P1279-L1281 HydrophobicContact CB-CD1 3.94Å; P1279-L1281 HydrophobicContact CB-CG 3.85Å | ||
| 1280 | F | 85.1 | Confident | 67.4 | Low | 17 Ų | 17 | 89.3 Ų | 89.3 | 8% | 0.075 | 47% | 0.472 | C | S | . | . | trans | -112.1 | 70 | 168.9 | -64.6 | -87.5 | 0 | 0 | 0 | 109.4 | I1205 P1236 A1238 A1239 T1242 I1244 R1278 | I1205-F1280 HydrophobicContact CB-CD2 3.91Å; I1205-F1280 HydrophobicContact CB-CE2 4.39Å; I1205-F1280 HydrophobicContact CG2-CD2 4.42Å; I1205-F1280 HydrophobicContact CG2-CE2 4.43Å; I1205-F1280 PolarHBondContact O-N 3.01Å; P1236-F1280 HydrophobicContact CB-CB 4.01Å; P1236-F1280 HydrophobicContact CG-CB 3.99Å; A1238-F1280 HydrophobicContact CB-CD1 3.86Å; A1238-F1280 HydrophobicContact CB-CE1 4.45Å; A1238-F1280 WeakPolarHBondContact O-CE1 3.39Å; A1239-F1280 VanDerWaalsContact CA-CE1 3.49Å; A1239-F1280 HydrophobicContact CB-CB 4.3Å; A1239-F1280 HydrophobicContact CB-CD1 3.76Å; A1239-F1280 HydrophobicContact CB-CD2 3.89Å; A1239-F1280 HydrophobicContact CB-CE1 3.94Å; A1239-F1280 HydrophobicContact CB-CE2 4.02Å; A1239-F1280 HydrophobicContact CB-CG 3.71Å; A1239-F1280 HydrophobicContact CB-CZ 4.04Å; T1242-F1280 HydrophobicContact CG2-CE1 4.32Å; T1242-F1280 HydrophobicContact CG2-CZ 4.08Å; I1244-F1280 HydrophobicContact CG2-CE2 3.99Å; I1244-F1280 HydrophobicContact CG2-CZ 4.34Å; R1278-F1280 HydrophobicContact CG-CD2 4.04Å; R1278-F1280 HydrophobicContact CG-CE1 4.08Å; R1278-F1280 HydrophobicContact CG-CE2 3.42Å; R1278-F1280 VanDerWaalsContact CG-CE2 3.42Å; R1278-F1280 HydrophobicContact CG-CZ 3.46Å; R1278-F1280 VanDerWaalsContact CG-CZ 3.46Å; R1278-F1280 WeakPolarHBondContact O-CD2 3.36Å; R1278-F1280 WeakPolarHBondContact O-CE2 3.43Å; R1278-F1280 PolarHBondContact O-N 3.2Å | ||
| 1281 | L | 75.4 | Confident | 64.2 | Low | 24 Ų | 24 | 95.1 Ų | 95.1 | 13% | 0.126 | 51% | 0.508 | C | S | . | . | trans | -92.8 | -14.2 | -171.1 | -55.1 | 180 | 0 | 0 | 0 | 113.7 | R1091 A1094 Q1095 F1207 P1279 | R1091-L1281 HydrophobicContact CG-CD1 4.19Å; R1091-L1281 HydrophobicContact CG-CD2 4.29Å; R1091-L1281 WeakPolarHBondContact O-CD1 3.43Å; A1094-L1281 HydrophobicContact CB-CD1 3.6Å; Q1095-L1281 HydrophobicContact CG-CB 3.87Å; Q1095-L1281 HydrophobicContact CG-CD1 3.57Å; Q1095-L1281 HydrophobicContact CG-CG 4.36Å; F1207-L1281 HydrophobicContact CB-CD2 3.68Å; F1207-L1281 HydrophobicContact CD2-CD2 3.84Å; F1207-L1281 HydrophobicContact CG-CD1 4.42Å; F1207-L1281 HydrophobicContact CG-CD2 3.79Å; P1279-L1281 HydrophobicContact CB-CD1 3.94Å; P1279-L1281 HydrophobicContact CB-CG 3.85Å | ||
| 1282 | T | 55.1 | Low | 61 | Low | 83 Ų | 83 | 94.4 Ų | 94.4 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -137.5 | 156.3 | -178.9 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | E1284 | T1282-E1284 PolarHBondContact O-N 3.16Š|
| 1283 | N | 44.2 | Very low | 58 | Low | 116 Ų | 116 | 93.5 Ų | 93.5 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -79.5 | 2.1 | 178.3 | -72.7 | -32.8 | 0 | 0 | 0 | 113.4 | ||
| 1284 | E | 34.3 | Very low | 54.9 | Low | 158 Ų | 158 | 95.6 Ų | 95.6 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -97.6 | 128.2 | -179.2 | -68.3 | -172.2 | 178.8 | 0 | 0 | 111.3 | T1282 | T1282-E1284 PolarHBondContact O-N 3.16Š|
| 1285 | P | 32.3 | Very low | 51.8 | Low | 105 Ų | 105 | 100.3 Ų | 100.3 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137.4 | 178 | 27.3 | -31.5 | 0 | 0 | 0 | 111.4 | K1287 | P1285-K1287 PolarHBondContact O-N 2.83Š|
| 1286 | P | 33.9 | Very low | 48.8 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 132.6 | 179.9 | 24.6 | -30.7 | 0 | 0 | 0 | 111.6 | ||
| 1287 | K | 31.3 | Very low | 45.7 | Very low | 197 Ų | 197 | 116.8 Ų | 116.8 | 86% | 0.857 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 136.5 | 178.7 | -68.4 | 177.8 | -179.3 | 174.8 | 0 | 110.6 | P1285 | P1285-K1287 PolarHBondContact O-N 2.83Š|
| 1288 | P | 33.1 | Very low | 42.6 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139.5 | 179.4 | 27.1 | -31.1 | 0 | 0 | 0 | 112.1 | S1290 | P1288-S1290 PolarHBondContact O-N 2.88Š|
| 1289 | N | 30.2 | Very low | 39.7 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 88% | 0.882 | 68% | 0.684 | S | S | * | * | trans | -38.4 | 108.1 | -175.2 | -70.2 | -17.1 | 0 | 0 | 0 | 115.4 | ||||
| 1290 | S | 31.7 | Very low | 37 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -104.2 | 116.5 | 152.8 | 58.6 | 0 | 0 | 0 | 0 | 108.5 | P1288 | P1288-S1290 PolarHBondContact O-N 2.88Š| ||
| 1291 | T | 30.3 | Very low | 34.3 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -53.6 | 135.7 | 178.4 | 40.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1292 | I | 29.2 | Very low | 32.1 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | 68.7 | 107.5 | 145.4 | -55.1 | 161.2 | 0 | 0 | 0 | 116 | ||||
| 1293 | D | 31.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | -153.2 | 110.9 | 117.3 | -98.5 | -28.4 | 0 | 0 | 0 | 110.8 | L1295 | D1293-L1295 PolarHBondContact O-N 3.37Š| |||
| 1294 | A | 31.2 | Very low | 29.9 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -75.9 | 102.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1296 | A1294-R1296 PolarHBondContact O-N 3.33Š| ||
| 1295 | L | 25.8 | Very low | 29.5 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -91.4 | 101.2 | 165.5 | -84.5 | 160.7 | 0 | 0 | 0 | 110 | D1293 F1297 | D1293-L1295 PolarHBondContact O-N 3.37Å; L1295-F1297 PolarHBondContact O-N 3Å | ||
| 1296 | R | 26.6 | Very low | 29.4 | Very low | 234 Ų | 234 | 142.1 Ų | 142.1 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -51.1 | 111.8 | 168.8 | -86.1 | 175.5 | 170.5 | 165.4 | -2.2 | 110.8 | A1294 | A1294-R1296 PolarHBondContact O-N 3.33Š| ||
| 1297 | F | 27.8 | Very low | 29.1 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 90% | 0.899 | 83% | 0.831 | S | S | * | * | trans | -91.6 | 110.7 | 160.2 | -130.2 | -92 | 0 | 0 | 0 | 108.9 | L1295 | L1295-F1297 PolarHBondContact O-N 3Š| ||
| 1298 | Q | 28.3 | Very low | 29 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 127.5 | 173.5 | -79.6 | 178.2 | -35.3 | 0 | 0 | 109.7 | G1300 | Q1298-G1300 PolarHBondContact O-N 3.14Š|
| 1299 | P | 29.2 | Very low | 28.7 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 118.3 | -178.2 | 30.1 | -30.1 | 0 | 0 | 0 | 110.8 | ||
| 1300 | G | 29.7 | Very low | 28.7 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1298 | Q1298-G1300 PolarHBondContact O-N 3.14Š|
| 1301 | A | 29.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 137.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1302 | G | 28.3 | Very low | 28.4 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 152.2 | 53 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1303 | A | 28.4 | Very low | 28.2 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -151 | 121.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 1304 | C | 24.8 | Very low | 28 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -66.5 | 140.9 | -159.7 | -65.2 | 0 | 0 | 0 | 0 | 115.1 | M1306 | C1304-M1306 PolarHBondContact O-N 3.49Š| ||
| 1305 | I | 26.9 | Very low | 27.7 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 84% | 0.836 | 83% | 0.832 | S | S | * | * | trans | -56.3 | 116.9 | 165.9 | -66.6 | 161.4 | 0 | 0 | 0 | 109.5 | S1307 | I1305-S1307 PolarHBondContact O-N 3.35Š| ||
| 1306 | M | 29.6 | Very low | 27.9 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -76.2 | 108.6 | 163.4 | -76.6 | -81.1 | -89 | 0 | 0 | 108.4 | C1304 | C1304-M1306 PolarHBondContact O-N 3.49Š| ||
| 1307 | S | 27.4 | Very low | 27.9 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | trans | -59.2 | 126.7 | -179.5 | 167.8 | 0 | 0 | 0 | 0 | 112.9 | I1305 | I1305-S1307 PolarHBondContact O-N 3.35Š| ||
| 1308 | K | 29.3 | Very low | 28.8 | Very low | 201 Ų | 201 | 127 Ų | 127 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -65.4 | 129.9 | 163.7 | -72.5 | 174.7 | 172.4 | 178 | 0 | 110 | ||||
| 1309 | N | 27.7 | Very low | 28.7 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -148.4 | 118.7 | 160.3 | -100.4 | -14.6 | 0 | 0 | 0 | 109.4 | ||||
| 1310 | T | 28.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | 155.9 | 80.3 | 152.7 | -53.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1311 | L | 24.8 | Very low | 28.4 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | 48.1 | 90.2 | 75.7 | -95.5 | 159.2 | 0 | 0 | 0 | 113.9 | |||||
| 1312 | A | 30.5 | Very low | 28.3 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -163.1 | 88.8 | 146 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1313 | S | 26 | Very low | 28.1 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | 72.7 | 107.5 | 96.6 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1314 | G | 28.2 | Very low | 27.9 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 109.7 | 76.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1315 | D | 23.8 | Very low | 27.9 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -57.6 | 142.2 | 150.1 | -72.6 | -48.4 | 0 | 0 | 0 | 109.5 | ||||
| 1316 | P | 31.2 | Very low | 28 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -129.8 | 129.6 | 99.6 | 34 | -24 | 0 | 0 | 0 | 111.9 | |||||
| 1317 | S | 26.4 | Very low | 27.8 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -72.7 | -176.2 | 165.7 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1318 | P | 45.1 | Very low | 27.7 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | -124.5 | 153.5 | -70.5 | 35.2 | -20.4 | 0 | 0 | 0 | 111.3 | |||||
| 1319 | S | 26.9 | Very low | 27.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -138.5 | 102.4 | 164.3 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1320 | N | 27.8 | Very low | 27.3 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 53.3 | 114.3 | 146.3 | -62.6 | -20.6 | 0 | 0 | 0 | 119.6 | V1322 | N1320-V1322 PolarHBondContact O-N 3.48Š| ||
| 1321 | L | 24.4 | Very low | 27.2 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -38.4 | 117.5 | 156 | -84.2 | 85.2 | 0 | 0 | 0 | 111.3 | T1323 | L1321-T1323 PolarHBondContact O-N 3.46Š| ||
| 1322 | V | 27.5 | Very low | 27.3 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 92.2 | 160.2 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | N1320 C1324 | N1320-V1322 PolarHBondContact O-N 3.48Å; V1322-C1324 PolarHBondContact O-N 3.47Å | ||
| 1323 | T | 24.8 | Very low | 27 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | -71 | 101.2 | 166.5 | -43.5 | 0 | 0 | 0 | 0 | 107.5 | L1321 N1325 | L1321-T1323 PolarHBondContact O-N 3.46Å; T1323-N1325 VanDerWaalsContact C-N 3.3Å; T1323-N1325 PolarHBondContact O-N 2.8Å | ||
| 1324 | C | 24.8 | Very low | 27 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -70.8 | 88.8 | 172.2 | -74 | 0 | 0 | 0 | 0 | 109.6 | V1322 I1326 | V1322-C1324 PolarHBondContact O-N 3.47Å; C1324-I1326 PolarHBondContact O-N 3.34Å | ||
| 1325 | N | 23.7 | Very low | 27 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -63.1 | 105.3 | 163 | -83.5 | -14.9 | 0 | 0 | 0 | 109 | T1323 T1327 | T1323-N1325 VanDerWaalsContact C-N 3.3Å; T1323-N1325 PolarHBondContact O-N 2.8Å; N1325-T1327 PolarHBondContact O-N 2.85Å | ||
| 1326 | I | 29 | Very low | 27 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 99.6 | 160.8 | -62.5 | 175.9 | 0 | 0 | 0 | 105.9 | C1324 S1328 | C1324-I1326 PolarHBondContact O-N 3.34Å; I1326-S1328 PolarHBondContact O-N 2.88Å | ||
| 1327 | T | 26 | Very low | 26.7 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 120.9 | 176.3 | 43.7 | 0 | 0 | 0 | 0 | 110.5 | N1325 D1329 | N1325-T1327 PolarHBondContact O-N 2.85Å; T1327-D1329 PolarHBondContact O-N 2.82Å | ||
| 1328 | S | 25.6 | Very low | 26.6 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -58.7 | 121.7 | 157.2 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | I1326 | I1326-S1328 PolarHBondContact O-N 2.88Š| ||
| 1329 | D | 24.3 | Very low | 25.6 | Very low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -166.1 | 128.9 | 148.7 | -98.4 | -25.1 | 0 | 0 | 0 | 111.4 | T1327 | T1327-D1329 PolarHBondContact O-N 2.82Š| ||
| 1330 | G | 24.2 | Very low | 25.7 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | 87.5 | 103.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1331 | I | 27 | Very low | 25.5 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | -171.8 | 111.8 | 109.3 | -85 | 149.3 | 0 | 0 | 0 | 109 | |||||
| 1332 | H | 26.7 | Very low | 25.5 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 17.7 | 120 | 150.2 | -73.1 | -82.9 | 0 | 0 | 0 | 120 | ||||
| 1333 | G | 23.3 | Very low | 25.5 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -67.3 | 151.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1334 | Y | 26.2 | Very low | 25.5 | Very low | 223 Ų | 223 | 137.3 Ų | 137.3 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -126.3 | 134.6 | 146.7 | -91 | -85.8 | 0 | 0 | 0 | 108.2 | ||||
| 1335 | P | 27.6 | Very low | 25.4 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -87.1 | 154.5 | -159.5 | 34.5 | -34.8 | 0 | 0 | 0 | 113.4 | ||||
| 1336 | I | 23.9 | Very low | 25.4 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -47.5 | 128.6 | 167.9 | -62 | 157.4 | 0 | 0 | 0 | 111.1 | ||||
| 1337 | S | 25.7 | Very low | 25.1 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -126.3 | 104 | 153.9 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1338 | S | 24.5 | Very low | 25.1 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | trans | -62.8 | 161 | 168.7 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1339 | S | 24.6 | Very low | 25.1 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 95.2 | 91.9 | 142.2 | -52.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1340 | I | 28.6 | Very low | 25 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -148.9 | 84.6 | 135.6 | -54.5 | -176.7 | 0 | 0 | 0 | 105.9 | ||||
| 1341 | R | 23.2 | Very low | 25.1 | Very low | 242 Ų | 242 | 133.4 Ų | 133.4 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | 42.4 | 86.5 | 80.9 | -133 | -178.4 | -159.7 | -174.7 | 5.1 | 115.4 | |||||
| 1342 | G | 24.5 | Very low | 24.9 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | 78.3 | 112.6 | 123 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1343 | V | 28.1 | Very low | 24.7 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | -143.9 | 99 | 129 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1344 | L | 23.8 | Very low | 24.7 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -89 | 164.6 | 154.5 | -92.2 | 162.7 | 0 | 0 | 0 | 107.9 | ||||
| 1345 | S | 23.8 | Very low | 24.8 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | 89.7 | 139.4 | 162.3 | -51 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1346 | A | 23.6 | Very low | 24.7 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | cis | -175 | 169.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1347 | T | 23.2 | Very low | 25.3 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 60.4 | 107.8 | 154.7 | 55.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1348 | G | 23.9 | Very low | 25.2 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | 85.4 | 101.8 | 63.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1349 | S | 26.5 | Very low | 25.3 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -160.6 | 117 | 149.8 | -161.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1350 | L | 23.1 | Very low | 25.3 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -55.2 | 155.2 | 154.3 | -78.3 | 121.9 | 0 | 0 | 0 | 111 | ||||
| 1351 | G | 24.5 | Very low | 25.2 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 136 | 117.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1352 | G | 22.9 | Very low | 25.2 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | 159.9 | 144.9 | 6.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1353 | S | 22.4 | Very low | 25.1 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | 55.9 | 118 | 147.5 | -170.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1354 | G | 24.8 | Very low | 24.9 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -179.3 | 51.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1355 | K | 27.3 | Very low | 24.8 | Very low | 203 Ų | 203 | 121 Ų | 121 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 66.8 | 117.2 | 146.4 | -61.1 | -179.7 | 178.3 | 178.4 | 0 | 120.8 | ||||
| 1356 | S | 25 | Very low | 24.8 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -50.4 | 172 | 155 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1357 | P | 38.1 | Very low | 24.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -141.7 | 152.7 | 25 | 36.7 | -14.8 | 0 | 0 | 0 | 119.4 | ||||
| 1358 | L | 23.4 | Very low | 24.8 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 137.4 | 159.2 | -84.4 | 88 | 0 | 0 | 0 | 111.3 | ||
| 1359 | G | 26.9 | Very low | 24.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 124.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1360 | H | 23.6 | Very low | 24.7 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 67% | 0.667 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134.6 | 179.6 | -76.5 | -74.4 | 0 | 0 | 0 | 113.1 | ||
| 1361 | H | 25.9 | Very low | 24.8 | Very low | 196 Ų | 196 | 132.2 Ų | 132.2 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -148.5 | 99.9 | 142.3 | -89 | -64.8 | 0 | 0 | 0 | 109.5 | ||||
| 1362 | S | 23.6 | Very low | 24.9 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -62.2 | 121.1 | 162.8 | 42.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1363 | S | 22 | Very low | 25 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | 57.1 | 90.7 | 87.2 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1364 | D | 25.3 | Very low | 25.2 | Very low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -118.2 | 125.6 | 151.9 | -92.9 | -26.8 | 0 | 0 | 0 | 109.1 | ||||
| 1365 | S | 22 | Very low | 25.3 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -74.7 | 129.6 | -179 | 47 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1366 | F | 23 | Very low | 25.3 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -130.1 | 118.7 | 155.9 | -102.5 | -87.1 | 0 | 0 | 0 | 109.6 | ||||
| 1367 | S | 21.4 | Very low | 25.4 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -77.1 | 139.3 | 177.5 | 58.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1368 | E | 24.5 | Very low | 24.9 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 42.4 | 101.7 | 141.5 | -63.7 | -173 | 163.5 | 0 | 0 | 119 | ||||
| 1369 | N | 24.1 | Very low | 24.9 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -146.5 | 74.1 | 139.2 | -92.8 | -29.9 | 0 | 0 | 0 | 107.2 | S1371 | N1369-S1371 PolarHBondContact O-N 3.31Å; N1369-S1371 VanDerWaalsContact O-N 3.11Å | ||
| 1370 | L | 25.7 | Very low | 24.8 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 94% | 0.942 | 75% | 0.75 | S | S | * | * | trans | -77.8 | 97 | 171.6 | -133.5 | 85.7 | 0 | 0 | 0 | 107.9 | ||||
| 1371 | S | 24.6 | Very low | 25 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -66.1 | 134.9 | 179.3 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | N1369 S1373 | N1369-S1371 PolarHBondContact O-N 3.31Å; N1369-S1371 VanDerWaalsContact O-N 3.11Å; S1371-S1373 PolarHBondContact O-N 3.49Å | ||
| 1372 | T | 25.9 | Very low | 25 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 91% | 0.914 | 75% | 0.749 | S | S | * | * | trans | -74 | 64.7 | -175.9 | 38.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1373 | S | 26.2 | Very low | 25.3 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -104.9 | -0.6 | 175.3 | 75 | 0 | 0 | 0 | 0 | 116.3 | S1371 F1375 | S1371-S1373 PolarHBondContact O-N 3.49Å; S1373-F1375 PolarHBondContact O-N 2.88Å | ||
| 1374 | A | 26.5 | Very low | 25.5 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 8.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1375 | F | 26.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 6.4 | -173.3 | -142.7 | -96.2 | 0 | 0 | 0 | 115.5 | S1373 S1377 | S1373-F1375 PolarHBondContact O-N 2.88Å; F1375-S1377 PolarHBondContact O-N 3.18Å |
| 1376 | L | 26.1 | Very low | 25.6 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 7 | -172.9 | -81 | 173.3 | 0 | 0 | 0 | 116.6 | ||
| 1377 | S | 27.4 | Very low | 25.8 | Very low | 71 Ų | 71 | 134 Ų | 134 | 50% | 0.497 | 76% | 0.76 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.8 | 18.6 | -178.4 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | R1226 F1375 | R1226-S1377 PolarHBondContact NH1-OG 2.97Å; R1226-S1377 PolarHBondContact NH2-OG 3.25Å; F1375-S1377 PolarHBondContact O-N 3.18Å |
| 1378 | F | 27.6 | Very low | 25.9 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 35% | 0.346 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -112.4 | 8.2 | -168.8 | -124.8 | -83.9 | 0 | 0 | 0 | 117.2 | V1218 E1222 | V1218-F1378 HydrophobicContact CG1-CE1 4.04Å; E1222-F1378 HydrophobicContact CB-CE2 3.79Å; E1222-F1378 HydrophobicContact CB-CZ 3.65Å; E1222-F1378 HydrophobicContact CG-CE1 4.47Å; E1222-F1378 HydrophobicContact CG-CE2 4.05Å; E1222-F1378 HydrophobicContact CG-CZ 3.72Å |
| 1379 | L | 24.2 | Very low | 25.8 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | -133.1 | 65.6 | -179.7 | -68.2 | 173 | 0 | 0 | 0 | 112.1 | ||||
| 1380 | S | 25.4 | Very low | 25.7 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -131.3 | 124.7 | 155.5 | -175 | 0 | 0 | 0 | 0 | 108.2 | ||
| 1381 | E | 27.2 | Very low | 25.5 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | 61.7 | 95.7 | 164.4 | -63.9 | 179.7 | 175.5 | 0 | 0 | 118.9 | ||||
| 1382 | A | 25.8 | Very low | 25.5 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -152.3 | 119.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1384 | A1382-L1384 PolarHBondContact O-N 3.46Š| ||
| 1383 | P | 29.7 | Very low | 25.3 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -75.7 | 123.6 | 176.1 | 29 | -30.2 | 0 | 0 | 0 | 110.6 | Q1385 | P1383-Q1385 PolarHBondContact O-N 3.02Š| ||
| 1384 | L | 25.5 | Very low | 25.2 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -61.4 | 97.2 | 173.1 | -92 | 142.9 | 0 | 0 | 0 | 110.4 | A1382 | A1382-L1384 PolarHBondContact O-N 3.46Š| ||
| 1385 | Q | 25.9 | Very low | 25.1 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | -73.3 | 130.1 | 161.2 | -80.1 | -174 | -7.5 | 0 | 0 | 109.6 | N1170 P1383 L1387 | N1170-Q1385 PolarHBondContact OD1-NE2 2.8Å; P1383-Q1385 PolarHBondContact O-N 3.02Å; Q1385-L1387 PolarHBondContact O-N 3.12Å; Q1385-L1387 VanDerWaalsContact O-N 3.09Å | ||
| 1386 | N | 25.3 | Very low | 25 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -50.7 | 107.3 | 179.7 | -73.3 | -40.7 | 0 | 0 | 0 | 112.5 | G1388 | N1386-G1388 PolarHBondContact O-N 3.31Š| ||
| 1387 | L | 25.7 | Very low | 24.9 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -68.3 | 92.5 | 171.5 | -86.7 | 156.7 | 0 | 0 | 0 | 110.6 | Q1385 R1389 | Q1385-L1387 PolarHBondContact O-N 3.12Å; Q1385-L1387 VanDerWaalsContact O-N 3.09Å; L1387-R1389 PolarHBondContact O-N 3.05Å | ||
| 1388 | G | 23.9 | Very low | 24.8 | Very low | 66 Ų | 66 | 143.8 Ų | 143.8 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | -61.2 | 118.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1386 R1390 | N1386-G1388 PolarHBondContact O-N 3.31Å; G1388-R1390 PolarHBondContact O-N 3.13Å; G1388-R1390 VanDerWaalsContact O-N 3.13Å | ||
| 1389 | R | 23.3 | Very low | 24.5 | Very low | 232 Ų | 232 | 147.3 Ų | 147.3 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -51.3 | 111.4 | 175.4 | -90.1 | 174.9 | 166.2 | 167.1 | -3.3 | 112 | L1387 R1391 | L1387-R1389 PolarHBondContact O-N 3.05Å; R1389-R1391 PolarHBondContact O-N 2.99Å | ||
| 1390 | R | 21.6 | Very low | 24.5 | Very low | 221 Ų | 221 | 146.4 Ų | 146.4 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -65.8 | 106 | 160 | -75.6 | -178.8 | 179.6 | 178.9 | 0.5 | 109.3 | G1388 | G1388-R1390 PolarHBondContact O-N 3.13Å; G1388-R1390 VanDerWaalsContact O-N 3.13Å | ||
| 1391 | R | 21.6 | Very low | 24.4 | Very low | 221 Ų | 221 | 148.3 Ų | 148.3 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -94.9 | 118.5 | 160.9 | -91.5 | -177.1 | 176.2 | 168.9 | -1.8 | 108.6 | R1389 K1393 | R1389-R1391 PolarHBondContact O-N 2.99Å; R1391-K1393 PolarHBondContact O-N 3.33Å | ||
| 1392 | H | 23.5 | Very low | 24.1 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -53.1 | 118.2 | 168.9 | -84.8 | -77.1 | 0 | 0 | 0 | 109.8 | T1394 | H1392-T1394 PolarHBondContact O-N 3.14Š| ||
| 1393 | K | 23.4 | Very low | 24 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -74.7 | 101.5 | 170 | -79.6 | 178.5 | 172.9 | 176.6 | 0 | 108.4 | R1391 | R1391-K1393 PolarHBondContact O-N 3.33Š| ||
| 1394 | T | 22.9 | Very low | 23.6 | Very low | 135 Ų | 135 | 157.4 Ų | 157.4 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | -74.2 | 126 | 152.4 | 46 | 0 | 0 | 0 | 0 | 107.4 | H1392 D1396 | H1392-T1394 PolarHBondContact O-N 3.14Å; T1394-D1396 PolarHBondContact O-N 3.44Å | ||
| 1395 | A | 25.4 | Very low | 23.5 | Very low | 89 Ų | 89 | 157.9 Ų | 157.9 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -62.9 | 121.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1396 | D | 24.9 | Very low | 23.5 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -171.5 | 125.4 | 131.9 | -88.8 | -21.4 | 0 | 0 | 0 | 108.5 | T1394 S1398 | T1394-D1396 PolarHBondContact O-N 3.44Å; D1396-S1398 PolarHBondContact O-N 3.42Å | ||
| 1397 | G | 23.4 | Very low | 23.4 | Very low | 86 Ų | 86 | 154.8 Ų | 154.8 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -79 | 111.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1398 | S | 24.5 | Very low | 23.3 | Very low | 93 Ų | 93 | 158.2 Ų | 158.2 | 65% | 0.65 | 82% | 0.821 | S | S | * | * | trans | -152.7 | 111 | 148.4 | 62.6 | 0 | 0 | 0 | 0 | 108.8 | D1396 T1400 | D1396-S1398 PolarHBondContact O-N 3.42Å; S1398-T1400 PolarHBondContact O-N 2.86Å | ||
| 1399 | T | 22.4 | Very low | 23.4 | Very low | 153 Ų | 153 | 166.5 Ų | 166.5 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | -60.6 | 96.6 | 170.3 | 39.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1400 | T | 23.7 | Very low | 23.4 | Very low | 112 Ų | 112 | 159.3 Ų | 159.3 | 69% | 0.687 | 83% | 0.83 | S | S | * | * | trans | -121.4 | 104.1 | 160.3 | 42.7 | 0 | 0 | 0 | 0 | 108.9 | S1398 C1402 | S1398-T1400 PolarHBondContact O-N 2.86Å; T1400-C1402 PolarHBondContact O-N 3.4Å | ||
| 1401 | T | 23 | Very low | 23.6 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -46.4 | 101.2 | 167.8 | 35.5 | 0 | 0 | 0 | 0 | 111.8 | R1403 | T1401-R1403 PolarHBondContact O-N 3.4Å; T1401-R1403 VanDerWaalsContact O-N 3.11Å | ||
| 1402 | C | 20.5 | Very low | 23.7 | Very low | 123 Ų | 123 | 150 Ų | 150 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | trans | -73 | 96.9 | 165.3 | -77.9 | 0 | 0 | 0 | 0 | 109.5 | T1400 | T1400-C1402 PolarHBondContact O-N 3.4Š| ||
| 1403 | R | 23.4 | Very low | 23.9 | Very low | 228 Ų | 228 | 146.3 Ų | 146.3 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -66.4 | 128.5 | 160.5 | -86.6 | 179.6 | 177.2 | 152.8 | -0.5 | 109.1 | T1401 H1405 | T1401-R1403 PolarHBondContact O-N 3.4Å; T1401-R1403 VanDerWaalsContact O-N 3.11Å; R1403-H1405 PolarHBondContact O-N 2.84Å; R1403-H1405 VanDerWaalsContact O-N 3.14Å | ||
| 1404 | Y | 22.5 | Very low | 24.1 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 92% | 0.918 | 82% | 0.824 | S | S | * | * | trans | -51.9 | 109.2 | 170.7 | -94.6 | -108.4 | 0 | 0 | 0 | 111.1 | G1406 | Y1404-G1406 PolarHBondContact O-N 2.8Š| ||
| 1405 | H | 23.8 | Very low | 24.1 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -83.6 | 96.7 | 161.2 | -96.1 | -75.7 | 0 | 0 | 0 | 108.4 | R1403 I1407 | R1403-H1405 PolarHBondContact O-N 2.84Å; R1403-H1405 VanDerWaalsContact O-N 3.14Å; H1405-I1407 PolarHBondContact O-N 3.39Å | ||
| 1406 | G | 25.4 | Very low | 24 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | trans | -62.9 | 115.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1404 R1408 | Y1404-G1406 PolarHBondContact O-N 2.8Å; G1406-R1408 PolarHBondContact O-N 3.16Å | ||
| 1407 | I | 23.3 | Very low | 23.9 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -70.7 | 94.7 | 172.7 | -63.5 | 169.2 | 0 | 0 | 0 | 107.1 | H1405 | H1405-I1407 PolarHBondContact O-N 3.39Š| ||
| 1408 | R | 23.2 | Very low | 24 | Very low | 243 Ų | 243 | 143.7 Ų | 143.7 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -73.6 | 122.7 | 167.8 | -93.3 | -177.1 | 174.8 | 177.5 | -2 | 108.9 | G1406 G1410 | G1406-R1408 PolarHBondContact O-N 3.16Å; R1408-G1410 PolarHBondContact O-N 3.26Å | ||
| 1409 | R | 25.2 | Very low | 23.9 | Very low | 239 Ų | 239 | 145.5 Ų | 145.5 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -50.2 | 120.5 | 172.7 | -71.6 | 174.1 | 173.6 | 167.4 | -3.3 | 110.3 | T1411 | R1409-T1411 PolarHBondContact O-N 3.38Š| ||
| 1410 | G | 23 | Very low | 24 | Very low | 81 Ų | 81 | 148.1 Ų | 148.1 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -72.2 | 103.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R1408 | R1408-G1410 PolarHBondContact O-N 3.26Š| ||
| 1411 | T | 27.2 | Very low | 23.8 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -95.3 | 113.1 | 156.9 | 48.9 | 0 | 0 | 0 | 0 | 107.4 | R1409 S1413 | R1409-T1411 PolarHBondContact O-N 3.38Å; T1411-S1413 PolarHBondContact O-N 3.3Å | ||
| 1412 | S | 23.3 | Very low | 23.8 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -62 | 106.7 | 167.2 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1413 | S | 28 | Very low | 24 | Very low | 111 Ų | 111 | 151.1 Ų | 151.1 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -149.7 | 125.4 | 149.3 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | T1411 | T1411-S1413 PolarHBondContact O-N 3.3Š| ||
| 1414 | S | 27.1 | Very low | 24 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -64.1 | 133.5 | -174.8 | 48 | 0 | 0 | 0 | 0 | 113 | ||||
| 1415 | S | 23.2 | Very low | 24.3 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | 37.4 | 111.3 | 132.5 | 174.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1416 | C | 23.6 | Very low | 24.3 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | -174.3 | 118 | 111.4 | -95.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 1417 | G | 21.8 | Very low | 24.3 | Very low | 68 Ų | 68 | 145.3 Ų | 145.3 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -84.3 | 152 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1418 | H | 26.2 | Very low | 24.5 | Very low | 186 Ų | 186 | 141 Ų | 141 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -148.3 | 103.4 | 145.6 | -97.5 | -74.6 | 0 | 0 | 0 | 108.3 | ||||
| 1419 | T | 21.4 | Very low | 24.6 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -66.2 | 130.2 | 160.8 | 36.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1420 | F | 24.4 | Very low | 24.8 | Very low | 209 Ų | 209 | 137.5 Ų | 137.5 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -135.7 | 131.8 | 145.9 | -107.4 | -87.7 | 0 | 0 | 0 | 109.1 | ||||
| 1421 | R | 21.6 | Very low | 24.8 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -124.1 | 157.3 | -167 | -165.4 | -175.4 | -168.9 | 178.5 | 2.8 | 106.9 | ||||
| 1422 | S | 22 | Very low | 24.9 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 72.9 | 143 | 165.1 | 75.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1423 | S | 24 | Very low | 24.9 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | cis | -167.2 | 155.2 | 14.9 | 23.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1424 | E | 23.1 | Very low | 24.9 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -40.1 | 138.4 | 163 | -62.4 | 161.1 | 151.1 | 0 | 0 | 113.5 | ||||
| 1425 | H | 29.3 | Very low | 24.8 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -138.2 | 125.6 | 151.1 | -101.2 | -57.7 | 0 | 0 | 0 | 110.6 | ||||
| 1426 | S | 24.8 | Very low | 24.8 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | trans | -78.6 | 146.7 | -177.8 | 52 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1427 | S | 24.3 | Very low | 25.5 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 49.5 | 120.5 | 137.7 | 62.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1428 | G | 28.6 | Very low | 25.8 | Very low | 80 Ų | 80 | 152.6 Ų | 152.6 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -166.1 | 100.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1429 | D | 24.4 | Very low | 25.8 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -53.8 | 144.8 | 170.3 | -71.3 | -51.9 | 0 | 0 | 0 | 113.6 | ||||
| 1430 | R | 29.1 | Very low | 25.9 | Very low | 249 Ų | 249 | 150.6 Ų | 150.6 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | trans | -170.4 | 130.8 | 131.3 | -105 | 168.5 | -172.3 | -169 | 2.4 | 113.6 | ||||
| 1431 | S | 23.9 | Very low | 26 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -60.7 | 154.1 | 174.4 | 51.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1432 | T | 28.5 | Very low | 26.1 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | 152.5 | 99.5 | 127.4 | 47.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1433 | T | 23.4 | Very low | 26.3 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | 66.6 | 109.8 | 90.5 | 56.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1434 | E | 27.5 | Very low | 26.3 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -179.5 | 102.5 | 141.4 | -101.4 | 172.4 | -174.5 | 0 | 0 | 108.4 | ||||
| 1435 | D | 25.8 | Very low | 26.3 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | 48 | 118.3 | 113.9 | -68.2 | -28.1 | 0 | 0 | 0 | 114.3 | |||||
| 1436 | Q | 23.8 | Very low | 26.1 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | -179.3 | -178.3 | 51.3 | -134.3 | -171.6 | 8.5 | 0 | 0 | 109.6 | |||||
| 1437 | P | 38.5 | Very low | 26.1 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | -105 | 143 | -112.6 | 37.9 | -22.9 | 0 | 0 | 0 | 116 | |||||
| 1438 | H | 26.6 | Very low | 26.2 | Very low | 190 Ų | 190 | 152 Ų | 152 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -115.9 | 130.5 | 164 | -79.3 | -79.2 | 0 | 0 | 0 | 111.1 | A1440 | H1438-A1440 PolarHBondContact O-N 2.92Š| ||
| 1439 | L | 25.8 | Very low | 26 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -47.3 | 111.4 | -177.4 | -148.7 | 75.1 | 0 | 0 | 0 | 112.1 | S1441 | L1439-S1441 PolarHBondContact O-N 3.04Š| ||
| 1440 | A | 25.2 | Very low | 26 | Very low | 94 Ų | 94 | 154.9 Ų | 154.9 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -75.2 | 120.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | H1438 E1442 | H1438-A1440 PolarHBondContact O-N 2.92Å; A1440-E1442 PolarHBondContact O-N 3.42Å | ||
| 1441 | S | 25.8 | Very low | 25.8 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 116.9 | 164.7 | 43.7 | 0 | 0 | 0 | 0 | 109.5 | L1439 I1443 | L1439-S1441 PolarHBondContact O-N 3.04Å; S1441-I1443 VanDerWaalsContact C-N 3.35Å; S1441-I1443 PolarHBondContact O-N 3.11Å | ||
| 1442 | E | 24 | Very low | 25.8 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -65.2 | 91.1 | 172.1 | -74.8 | -179.2 | 143.8 | 0 | 0 | 110 | A1440 L1444 | A1440-E1442 PolarHBondContact O-N 3.42Å; E1442-L1444 PolarHBondContact O-N 3.19Å; E1442-L1444 VanDerWaalsContact O-N 3.07Å | ||
| 1443 | I | 26 | Very low | 25.8 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -71.5 | 98.8 | 162.5 | -63.5 | 174.8 | 0 | 0 | 0 | 106.7 | S1441 R1445 | S1441-I1443 VanDerWaalsContact C-N 3.35Å; S1441-I1443 PolarHBondContact O-N 3.11Å; I1443-R1445 VanDerWaalsContact C-N 3.34Å; I1443-R1445 PolarHBondContact O-N 3.15Å | ||
| 1444 | L | 24.6 | Very low | 25.9 | Very low | 149 Ų | 149 | 155.6 Ų | 155.6 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -52.6 | 95.2 | 167.3 | -79.8 | 158.6 | 0 | 0 | 0 | 109.7 | E1442 F1446 | E1442-L1444 PolarHBondContact O-N 3.19Å; E1442-L1444 VanDerWaalsContact O-N 3.07Å; L1444-F1446 PolarHBondContact O-N 3.37Å | ||
| 1445 | R | 22.1 | Very low | 25.8 | Very low | 231 Ų | 231 | 155.3 Ų | 155.3 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -71.1 | 105.6 | 168.6 | -75.4 | -176.4 | -176.1 | 177.1 | 2.2 | 108.6 | I1443 P1447 | I1443-R1445 VanDerWaalsContact C-N 3.34Å; I1443-R1445 PolarHBondContact O-N 3.15Å; R1445-P1447 VanDerWaalsContact O-CD 3.29Å; R1445-P1447 WeakPolarHBondContact O-CD 3.32Å | ||
| 1446 | F | 25.1 | Very low | 25.9 | Very low | 184 Ų | 184 | 152 Ų | 152 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -67.4 | 115.2 | 163.4 | -74.2 | -86.2 | 0 | 0 | 0 | 109.5 | L1444 | L1444-F1446 PolarHBondContact O-N 3.37Š| ||
| 1447 | P | 25.8 | Very low | 26.1 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -81.1 | 143.6 | 172.3 | 15.8 | -0.2 | 0 | 0 | 0 | 110 | R1445 | R1445-P1447 VanDerWaalsContact O-CD 3.29Å; R1445-P1447 WeakPolarHBondContact O-CD 3.32Å | ||
| 1448 | N | 26.8 | Very low | 25.5 | Very low | 158 Ų | 158 | 153 Ų | 153 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 81.4 | 58.5 | 170.4 | -52.8 | -27.2 | 0 | 0 | 0 | 117.8 | Q1450 | N1448-Q1450 VanDerWaalsContact C-N 3.33Å; N1448-Q1450 PolarHBondContact O-N 3.03Å; N1448-Q1450 VanDerWaalsContact O-N 3.11Å | ||
| 1449 | C | 22.7 | Very low | 25.5 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -75.5 | 87.3 | 152.2 | -77.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1450 | Q | 26.1 | Very low | 25.5 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -62.8 | 130 | 156.8 | -93.4 | 178.1 | -16.5 | 0 | 0 | 108.4 | N1448 F1452 | N1448-Q1450 VanDerWaalsContact C-N 3.33Å; N1448-Q1450 PolarHBondContact O-N 3.03Å; N1448-Q1450 VanDerWaalsContact O-N 3.11Å; Q1450-F1452 PolarHBondContact O-N 3.28Å | ||
| 1451 | K | 23.9 | Very low | 25.4 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -47 | 107.4 | 173 | -85.4 | 177.3 | 170.4 | 178.9 | 0 | 110.1 | D1453 | K1451-D1453 PolarHBondContact O-N 3.39Š| ||
| 1452 | F | 24.3 | Very low | 25.3 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 77% | 0.772 | 78% | 0.78 | S | S | * | * | trans | -78.9 | 104.4 | 160.2 | -88.4 | -85.8 | 0 | 0 | 0 | 107.4 | Q1450 S1454 F1455 | Q1450-F1452 PolarHBondContact O-N 3.28Å; F1452-S1454 PolarHBondContact O-N 3.47Å; F1452-F1455 AromaticContact CD1-CE2 3.88Å; F1452-F1455 HydrophobicContact CD1-CE2 3.88Å; F1452-F1455 HydrophobicContact CE1-CE2 4.42Å | ||
| 1453 | D | 28 | Very low | 25.3 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -58.7 | 120 | 168.7 | -75.5 | -35 | 0 | 0 | 0 | 109.6 | K1451 F1455 | K1451-D1453 PolarHBondContact O-N 3.39Å; D1453-F1455 PolarHBondContact O-N 2.91Å | ||
| 1454 | S | 25.9 | Very low | 25.2 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 19.1 | 93.4 | 155.5 | 60 | 0 | 0 | 0 | 0 | 116.7 | F1452 S1456 | F1452-S1454 PolarHBondContact O-N 3.47Å; S1454-S1456 PolarHBondContact O-N 3.5Å | ||
| 1455 | F | 25.8 | Very low | 25.2 | Very low | 179 Ų | 179 | 150 Ų | 150 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -70.2 | 105.8 | 163.6 | -89.9 | -89.1 | 0 | 0 | 0 | 110 | F1452 D1453 | F1452-F1455 AromaticContact CD1-CE2 3.88Å; F1452-F1455 HydrophobicContact CD1-CE2 3.88Å; F1452-F1455 HydrophobicContact CE1-CE2 4.42Å; D1453-F1455 PolarHBondContact O-N 2.91Å | ||
| 1456 | S | 26.7 | Very low | 25.2 | Very low | 85 Ų | 85 | 149.9 Ų | 149.9 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | -69.2 | 134 | 164.6 | 64.5 | 0 | 0 | 0 | 0 | 110 | S1454 K1458 | S1454-S1456 PolarHBondContact O-N 3.5Å; S1456-K1458 PolarHBondContact O-N 3.39Å; S1456-K1458 VanDerWaalsContact O-N 3.09Å | ||
| 1457 | P | 28.9 | Very low | 25.2 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 103.9 | -173.2 | 30.3 | -32.7 | 0 | 0 | 0 | 110.1 | ||||
| 1458 | K | 25.8 | Very low | 25.2 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -143.3 | 91.9 | 171.9 | -77.5 | -172.7 | 178.4 | 169.9 | 0 | 111.3 | S1456 | S1456-K1458 PolarHBondContact O-N 3.39Å; S1456-K1458 VanDerWaalsContact O-N 3.09Å | ||
| 1459 | S | 27.3 | Very low | 25 | Very low | 91 Ų | 91 | 155.1 Ų | 155.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -178.3 | 104.8 | 132.3 | 51.3 | 0 | 0 | 0 | 0 | 109.9 | I1461 | S1459-I1461 PolarHBondContact O-N 2.94Š| ||
| 1460 | T | 25 | Very low | 25 | Very low | 144 Ų | 144 | 155.5 Ų | 155.5 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -53.9 | 111.3 | 162.9 | -38 | 0 | 0 | 0 | 0 | 108.7 | S1462 | T1460-S1462 PolarHBondContact O-N 3.12Š| ||
| 1461 | I | 24 | Very low | 24.8 | Very low | 151 Ų | 151 | 157.8 Ų | 157.8 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -69.2 | 109.5 | 172.9 | -65.9 | 170.3 | 0 | 0 | 0 | 106.9 | S1459 F1463 | S1459-I1461 PolarHBondContact O-N 2.94Å; I1461-F1463 PolarHBondContact O-N 3.21Å | ||
| 1462 | S | 23.3 | Very low | 24.8 | Very low | 100 Ų | 100 | 153.5 Ų | 153.5 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -74.6 | 109.9 | 172.1 | 59 | 0 | 0 | 0 | 0 | 109 | T1460 E1464 | T1460-S1462 PolarHBondContact O-N 3.12Å; S1462-E1464 PolarHBondContact O-N 3.29Å | ||
| 1463 | F | 24.5 | Very low | 24.8 | Very low | 193 Ų | 193 | 155.4 Ų | 155.4 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -60.2 | 101.3 | 166.7 | -120.1 | -101.3 | 0 | 0 | 0 | 108.9 | I1461 E1465 | I1461-F1463 PolarHBondContact O-N 3.21Å; F1463-E1465 PolarHBondContact O-N 3.14Å | ||
| 1464 | E | 22.4 | Very low | 24.6 | Very low | 170 Ų | 170 | 154.3 Ų | 154.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -77.3 | 99.5 | 165.2 | -87.5 | -167.9 | 156.3 | 0 | 0 | 108.4 | S1462 R1466 | S1462-E1464 PolarHBondContact O-N 3.29Å; E1464-R1466 PolarHBondContact O-N 2.74Å | ||
| 1465 | E | 24.8 | Very low | 24.5 | Very low | 135 Ų | 135 | 161.4 Ų | 161.4 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | trans | -58.3 | 93.4 | 165.7 | -79.4 | -174.5 | 170.3 | 0 | 0 | 109.8 | F1463 R1467 | F1463-E1465 PolarHBondContact O-N 3.14Å; E1465-R1467 HydrophobicContact CB-CG 4.34Å; E1465-R1467 PolarHBondContact O-N 3.31Å; E1465-R1467 IonicContact OE2-CZ 3.84Å; E1465-R1467 IonicContact OE2-NE 2.63Å; E1465-R1467 PolarHBondContact OE2-NE 3.04Å; E1465-R1467 IonicContact OE2-NH2 2.83Å; E1465-R1467 PolarHBondContact OE2-NH2 3.33Å | ||
| 1466 | R | 22.6 | Very low | 24.5 | Very low | 230 Ų | 230 | 161.1 Ų | 161.1 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -68.5 | 84.5 | 157.2 | -84.2 | -173.8 | -171.8 | 174.4 | 4.2 | 108.3 | E1464 L1468 | E1464-R1466 PolarHBondContact O-N 2.74Å; R1466-L1468 PolarHBondContact O-N 3.12Å | ||
| 1467 | R | 25.5 | Very low | 24.5 | Very low | 200 Ų | 200 | 160.5 Ų | 160.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -61.9 | 101.3 | 168 | -72.2 | -177.3 | -178.3 | -175.9 | -2.8 | 109.2 | E1465 K1469 | E1465-R1467 HydrophobicContact CB-CG 4.34Å; E1465-R1467 PolarHBondContact O-N 3.31Å; E1465-R1467 IonicContact OE2-CZ 3.84Å; E1465-R1467 IonicContact OE2-NE 2.63Å; E1465-R1467 PolarHBondContact OE2-NE 3.04Å; E1465-R1467 IonicContact OE2-NH2 2.83Å; E1465-R1467 PolarHBondContact OE2-NH2 3.33Å; R1467-K1469 PolarHBondContact O-N 3.49Å | ||
| 1468 | L | 24.6 | Very low | 24.3 | Very low | 171 Ų | 171 | 164 Ų | 164 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -57.3 | 104.9 | 161.3 | -81.6 | 157.1 | 0 | 0 | 0 | 107.9 | R1466 N1470 | R1466-L1468 PolarHBondContact O-N 3.12Å; L1468-N1470 PolarHBondContact O-N 2.78Å | ||
| 1469 | K | 22.6 | Very low | 24.2 | Very low | 190 Ų | 190 | 161.5 Ų | 161.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -60.1 | 116.4 | 166.3 | -75 | 175.3 | 175 | 176.1 | 0 | 107.7 | R1467 | R1467-K1469 PolarHBondContact O-N 3.49Š| ||
| 1470 | N | 23 | Very low | 24.1 | Very low | 138 Ų | 138 | 161.2 Ų | 161.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 177.4 | 126.6 | 134.5 | -89.3 | -17.8 | 0 | 0 | 0 | 112 | L1468 | L1468-N1470 PolarHBondContact O-N 2.78Š| ||
| 1471 | Y | 22.2 | Very low | 24.3 | Very low | 216 Ų | 216 | 159.8 Ų | 159.8 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 45.8 | 113.9 | 154.2 | -67.9 | -96.3 | 0 | 0 | 0 | 118 | ||||
| 1472 | S | 24.6 | Very low | 24.5 | Very low | 107 Ų | 107 | 158.8 Ų | 158.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | -175.2 | 149.4 | 64.6 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | T1474 | S1472-T1474 PolarHBondContact O-N 3.36Š| |||
| 1473 | K | 23.5 | Very low | 24.6 | Very low | 217 Ų | 217 | 164.6 Ų | 164.6 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -72.2 | 108.1 | -176 | -73.3 | 172.1 | 174.6 | 172.8 | 0 | 111.4 | ||||
| 1474 | T | 24.8 | Very low | 24.7 | Very low | 110 Ų | 110 | 164.3 Ų | 164.3 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -125.1 | 120.5 | 157.2 | 25.2 | 0 | 0 | 0 | 0 | 109.7 | S1472 H1476 | S1472-T1474 PolarHBondContact O-N 3.36Å; T1474-H1476 PolarHBondContact O-N 2.92Å | ||
| 1475 | R | 22.6 | Very low | 25 | Very low | 260 Ų | 260 | 162.6 Ų | 162.6 | 98% | 0.981 | 78% | 0.783 | S | S | * | * | trans | -61.6 | 99.1 | 178.9 | -83.3 | 176.8 | 169.5 | 175 | -3.3 | 109.7 | ||||
| 1476 | H | 26.9 | Very low | 25.1 | Very low | 173 Ų | 173 | 164.8 Ų | 164.8 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120.5 | 163 | -79.5 | -71 | 0 | 0 | 0 | 109.9 | T1474 | T1474-H1476 PolarHBondContact O-N 2.92Š|
| 1477 | G | 25.7 | Very low | 25.2 | Very low | 71 Ų | 71 | 158.4 Ų | 158.4 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57 | 141.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1478 | K | 23.8 | Very low | 25.1 | Very low | 207 Ų | 207 | 158 Ų | 158 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.6 | 179.6 | -73.2 | 176.1 | 175.8 | 175.8 | 0 | 109.9 | ||
| 1479 | P | 24.7 | Very low | 25.2 | Very low | 117 Ų | 117 | 159 Ų | 159 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.6 | 178.1 | 28.1 | -31.5 | 0 | 0 | 0 | 111.2 | ||
| 1480 | S | 25 | Very low | 25.2 | Very low | 86 Ų | 86 | 156.9 Ų | 156.9 | 60% | 0.601 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 153.7 | -174.8 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | I1482 | S1480-I1482 PolarHBondContact O-N 3.02Š|
| 1481 | P | 29.6 | Very low | 25.2 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -68.6 | -8.8 | -166.3 | -19.8 | 33.1 | 0 | 0 | 0 | 116.4 | R1483 K1484 | P1481-R1483 VanDerWaalsContact C-N 3.28Å; P1481-R1483 PolarHBondContact O-N 2.92Å; P1481-K1484 PolarHBondContact O-N 3.42Å |
| 1482 | I | 27 | Very low | 25.4 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -67.2 | -27.2 | -175.1 | -74 | 167.5 | 0 | 0 | 0 | 112.3 | S1480 K1484 | S1480-I1482 PolarHBondContact O-N 3.02Å; I1482-K1484 VanDerWaalsContact C-N 3.34Å; I1482-K1484 PolarHBondContact O-N 2.96Å |
| 1483 | R | 25.4 | Very low | 25.4 | Very low | 223 Ų | 223 | 151.2 Ų | 151.2 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -76.7 | -13.1 | -176.9 | -137.7 | 174.9 | -172.1 | 176.3 | 2.2 | 114.9 | P1481 | P1481-R1483 VanDerWaalsContact C-N 3.28Å; P1481-R1483 PolarHBondContact O-N 2.92Å |
| 1484 | K | 27.6 | Very low | 25.4 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -88.7 | -11.3 | -179.1 | -91.9 | -174.3 | 177.3 | -179.7 | 0 | 114.8 | P1481 I1482 | P1481-K1484 PolarHBondContact O-N 3.42Å; I1482-K1484 VanDerWaalsContact C-N 3.34Å; I1482-K1484 PolarHBondContact O-N 2.96Å |
| 1485 | I | 29.5 | Very low | 25.4 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -26.9 | -179.6 | -64.4 | 177.3 | 0 | 0 | 0 | 111.3 | ||
| 1486 | F | 26.5 | Very low | 25.6 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -101.9 | 1.4 | -170.8 | -72.2 | -76.8 | 0 | 0 | 0 | 116.8 | ||
| 1487 | S | 23.5 | Very low | 25.4 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -92.8 | 6.5 | 178.6 | 66.1 | 0 | 0 | 0 | 0 | 115.6 | Q1489 | S1487-Q1489 PolarHBondContact O-N 3.15Š| ||
| 1488 | K | 24.8 | Very low | 25.3 | Very low | 190 Ų | 190 | 151.6 Ų | 151.6 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -88.9 | 91.7 | 166.8 | -104 | -179.5 | 176.6 | 178.3 | 0 | 109 | I1490 | K1488-I1490 PolarHBondContact O-N 3.48Š|
| 1489 | Q | 25.4 | Very low | 25.3 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -37.7 | 110.7 | 162.1 | -81 | 175.5 | -42.5 | 0 | 0 | 109.6 | S1487 S1491 | S1487-Q1489 PolarHBondContact O-N 3.15Å; Q1489-S1491 VanDerWaalsContact C-N 3.28Å; Q1489-S1491 PolarHBondContact O-N 3.48Å | ||
| 1490 | I | 23.2 | Very low | 25.2 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -66.8 | 96.7 | 164.9 | -63 | 170.9 | 0 | 0 | 0 | 104.8 | K1488 M1492 | K1488-I1490 PolarHBondContact O-N 3.48Å; I1490-M1492 HydrophobicContact CG2-CG 3.94Å; I1490-M1492 PolarHBondContact O-N 3.36Å | ||
| 1491 | S | 23.6 | Very low | 25.2 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -62.8 | 83.2 | 159.2 | 169.1 | 0 | 0 | 0 | 0 | 106.8 | Q1489 G1493 | Q1489-S1491 VanDerWaalsContact C-N 3.28Å; Q1489-S1491 PolarHBondContact O-N 3.48Å; S1491-G1493 PolarHBondContact O-N 3.5Å | ||
| 1492 | M | 24.8 | Very low | 24.9 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | trans | -56.3 | 118.5 | 163.5 | -84.8 | -172.4 | 157.5 | 0 | 0 | 106.6 | I1490 D1494 | I1490-M1492 HydrophobicContact CG2-CG 3.94Å; I1490-M1492 PolarHBondContact O-N 3.36Å; M1492-D1494 PolarHBondContact O-N 3.04Å | ||
| 1493 | G | 24.7 | Very low | 24.9 | Very low | 64 Ų | 64 | 155.1 Ų | 155.1 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -60.8 | 130.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | S1491 E1495 | S1491-G1493 PolarHBondContact O-N 3.5Å; G1493-E1495 VanDerWaalsContact C-N 3.35Å; G1493-E1495 PolarHBondContact O-N 3.35Å | ||
| 1494 | D | 24.7 | Very low | 25 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -55.4 | 92.9 | 171.8 | -68.2 | -47.9 | 0 | 0 | 0 | 110.3 | M1492 H1496 | M1492-D1494 PolarHBondContact O-N 3.04Å; D1494-H1496 PolarHBondContact O-N 3.49Å; D1494-H1496 VanDerWaalsContact O-N 3.1Å | ||
| 1495 | E | 24.6 | Very low | 25 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -73.9 | 88.2 | 153.5 | -75.2 | -168.4 | 167.3 | 0 | 0 | 106.6 | G1493 M1497 | G1493-E1495 VanDerWaalsContact C-N 3.35Å; G1493-E1495 PolarHBondContact O-N 3.35Å; E1495-M1497 VanDerWaalsContact C-N 3.27Å; E1495-M1497 PolarHBondContact O-N 3.03Å | ||
| 1496 | H | 26 | Very low | 24.8 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -56.9 | 93.8 | 165.5 | -79 | -79.6 | 0 | 0 | 0 | 108.9 | D1494 E1498 | D1494-H1496 PolarHBondContact O-N 3.49Å; D1494-H1496 VanDerWaalsContact O-N 3.1Å; H1496-E1498 PolarHBondContact O-N 3.33Å | ||
| 1497 | M | 23.1 | Very low | 24.7 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | trans | -74 | 80.6 | 166.3 | -165.7 | 160.3 | 80.2 | 0 | 0 | 107.4 | E1495 L1499 | E1495-M1497 VanDerWaalsContact C-N 3.27Å; E1495-M1497 PolarHBondContact O-N 3.03Å; M1497-L1499 PolarHBondContact O-N 3.3Å; M1497-L1499 VanDerWaalsContact O-N 3.1Å | ||
| 1498 | E | 24.5 | Very low | 24.7 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 107.5 | 174.3 | -146.2 | 173.7 | -162.9 | 0 | 0 | 107.9 | H1496 V1500 | H1496-E1498 PolarHBondContact O-N 3.33Å; E1498-V1500 PolarHBondContact O-N 3.41Å | ||
| 1499 | L | 23.5 | Very low | 24.5 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -60.8 | 95.8 | 173.5 | -104.9 | 128.9 | 0 | 0 | 0 | 108.8 | M1497 L1501 | M1497-L1499 PolarHBondContact O-N 3.3Å; M1497-L1499 VanDerWaalsContact O-N 3.1Å; L1499-L1501 VanDerWaalsContact C-N 3.29Å; L1499-L1501 PolarHBondContact O-N 3.1Å | ||
| 1500 | V | 23.3 | Very low | 24.4 | Very low | 134 Ų | 134 | 154.9 Ų | 154.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -70.4 | 86.9 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | E1498 | E1498-V1500 PolarHBondContact O-N 3.41Š| ||
| 1501 | L | 24.8 | Very low | 24.5 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 125.5 | 167 | -75.9 | 166.4 | 0 | 0 | 0 | 108.9 | L1499 K1503 | L1499-L1501 VanDerWaalsContact C-N 3.29Å; L1499-L1501 PolarHBondContact O-N 3.1Å; L1501-K1503 PolarHBondContact O-N 2.9Å | ||
| 1502 | P | 23 | Very low | 24.5 | Very low | 119 Ų | 119 | 156.1 Ų | 156.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -76.9 | 115.2 | -175.9 | 30.5 | -31.5 | 0 | 0 | 0 | 109.9 | ||||
| 1503 | K | 27 | Very low | 24.4 | Very low | 196 Ų | 196 | 156.5 Ų | 156.5 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -131.2 | 91.9 | 166.7 | -71.9 | -172.1 | 178.6 | -179.4 | 0 | 110 | L1501 | L1501-K1503 PolarHBondContact O-N 2.9Š| ||
| 1504 | N | 26.6 | Very low | 24.4 | Very low | 144 Ų | 144 | 157.6 Ų | 157.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -87 | 137.8 | 144.7 | -97 | -14.7 | 0 | 0 | 0 | 105.9 | ||||
| 1505 | P | 27.4 | Very low | 24.4 | Very low | 124 Ų | 124 | 159.7 Ų | 159.7 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | -137.4 | 135.7 | 56.7 | 32 | -11.9 | 0 | 0 | 0 | 115 | D1507 | P1505-D1507 PolarHBondContact O-N 3.41Š| |||
| 1506 | T | 25.4 | Very low | 24.3 | Very low | 116 Ų | 116 | 158.2 Ų | 158.2 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -58.2 | 114.5 | 157.2 | 46 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1507 | D | 24.3 | Very low | 24.3 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -173.4 | 87 | 143.3 | -108.3 | -17.1 | 0 | 0 | 0 | 109.5 | P1505 | P1505-D1507 PolarHBondContact O-N 3.41Š| ||
| 1508 | Y | 24.3 | Very low | 24.4 | Very low | 245 Ų | 245 | 156.4 Ų | 156.4 | 96% | 0.961 | 80% | 0.804 | S | S | * | * | trans | -151.7 | 88.8 | 148.7 | -102.5 | -77.4 | 0 | 0 | 0 | 107.7 | ||||
| 1509 | R | 21.1 | Very low | 24.4 | Very low | 214 Ų | 214 | 157 Ų | 157 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 145.4 | 168.4 | -122.9 | 174.5 | -176.9 | 166.2 | 0.3 | 108.3 | ||||
| 1510 | Y | 23.1 | Very low | 24.5 | Very low | 213 Ų | 213 | 156.8 Ų | 156.8 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 67.1 | 110 | 167.9 | -79.7 | -94.1 | 0 | 0 | 0 | 116.9 | ||||
| 1511 | V | 24.5 | Very low | 24.6 | Very low | 131 Ų | 131 | 155.7 Ų | 155.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | -162.9 | 110.7 | 123.5 | 145.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 1512 | H | 24.3 | Very low | 25 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 71.5 | 82.9 | 152.2 | -77 | -89 | 0 | 0 | 0 | 120.8 | S1514 | H1512-S1514 PolarHBondContact O-N 2.95Š| ||
| 1513 | D | 22.5 | Very low | 25.1 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | -46.4 | 109.4 | 126.2 | -84.8 | -37.9 | 0 | 0 | 0 | 110.6 | |||||
| 1514 | S | 24.6 | Very low | 25.1 | Very low | 87 Ų | 87 | 152.3 Ų | 152.3 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | trans | 178.5 | 84.2 | 148.2 | 43.5 | 0 | 0 | 0 | 0 | 109 | H1512 | H1512-S1514 PolarHBondContact O-N 2.95Š| ||
| 1515 | L | 25.1 | Very low | 25.1 | Very low | 185 Ų | 185 | 155.7 Ų | 155.7 | 97% | 0.969 | 81% | 0.805 | S | S | * | * | trans | -163.3 | 64.1 | 149.9 | -99.6 | 165.7 | 0 | 0 | 0 | 107.5 | ||||
| 1516 | N | 22.6 | Very low | 25.2 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -112.9 | 141.2 | 164.3 | -129.3 | -8.4 | 0 | 0 | 0 | 106.6 | ||||
| 1517 | Q | 24.2 | Very low | 25.2 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 94 | 101.5 | 173 | -54 | -179.1 | -1.7 | 0 | 0 | 117.6 | ||||
| 1518 | S | 26.2 | Very low | 25.3 | Very low | 119 Ų | 119 | 157.4 Ų | 157.4 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | -157.2 | 110.6 | 126.4 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1519 | F | 23.7 | Very low | 25.4 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -56 | 137 | 166.9 | -80.4 | -106.8 | 0 | 0 | 0 | 111.6 | ||||
| 1520 | V | 27.2 | Very low | 25.6 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -142.4 | 110.7 | 147.5 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1521 | T | 25.2 | Very low | 25.8 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | trans | -72.4 | 158.3 | 176.4 | 26.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1522 | P | 33.4 | Very low | 25.9 | Very low | 127 Ų | 127 | 149.5 Ų | 149.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -79 | 136.7 | -172.5 | 32.2 | -32.7 | 0 | 0 | 0 | 112.2 | ||||
| 1523 | I | 24.5 | Very low | 25.9 | Very low | 144 Ų | 144 | 153 Ų | 153 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | -107.9 | 120.6 | 171.1 | -62.8 | 174.1 | 0 | 0 | 0 | 108.4 | Y1525 | I1523-Y1525 HydrophobicContact CG2-CD2 3.9Å; I1523-Y1525 HydrophobicContact CG2-CE2 3.58Å | ||
| 1524 | S | 25.8 | Very low | 26 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 145.2 | 169.4 | 40 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1525 | Y | 27.1 | Very low | 25.9 | Very low | 214 Ų | 214 | 152 Ų | 152 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -137.8 | 143.2 | 158.7 | -88.3 | -80.5 | 0 | 0 | 0 | 111 | I1523 | I1523-Y1525 HydrophobicContact CG2-CD2 3.9Å; I1523-Y1525 HydrophobicContact CG2-CE2 3.58Å | ||
| 1526 | P | 30.1 | Very low | 25.9 | Very low | 100 Ų | 100 | 152.5 Ų | 152.5 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -102.7 | 169 | -163.5 | 39 | -28.8 | 0 | 0 | 0 | 113.7 | ||||
| 1527 | Q | 25.3 | Very low | 26.1 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 39.5 | 122.8 | 149.1 | -70.6 | -175.8 | -45.4 | 0 | 0 | 119.2 | ||||
| 1528 | D | 26.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | -177.2 | 152.2 | 91.8 | -109.6 | -25.8 | 0 | 0 | 0 | 114.1 | |||||
| 1529 | E | 26.3 | Very low | 26 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -68.2 | 142.5 | 177 | -56.7 | 175.9 | 151.4 | 0 | 0 | 112.2 | ||||
| 1530 | S | 26.2 | Very low | 26 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -177.5 | 110.3 | 135.8 | 39.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1531 | K | 26.2 | Very low | 25.9 | Very low | 204 Ų | 204 | 149.9 Ų | 149.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 22.6 | 112.5 | 138.1 | -64.5 | 174.7 | 179.2 | 171.6 | 0 | 118.2 | ||||
| 1532 | T | 28.1 | Very low | 25.7 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -140.5 | 117 | 138.1 | 25.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1533 | R | 23.4 | Very low | 25.3 | Very low | 230 Ų | 230 | 153.2 Ų | 153.2 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -69.1 | 169.3 | 166.3 | -88.5 | 176.3 | 164.9 | 173.6 | -5.3 | 110.1 | ||||
| 1534 | T | 23.9 | Very low | 25.3 | Very low | 138 Ų | 138 | 154.9 Ų | 154.9 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | 83.6 | 133 | 166.5 | 68.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1535 | S | 24.1 | Very low | 25.3 | Very low | 97 Ų | 97 | 157.3 Ų | 157.3 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | cis | -177.2 | 142.9 | 5.1 | 37.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 1536 | Q | 24.8 | Very low | 25.2 | Very low | 197 Ų | 197 | 156.9 Ų | 156.9 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | 56.1 | 120.8 | 143.1 | -67.4 | 179.6 | -27.8 | 0 | 0 | 120 | ||||
| 1537 | G | 25.4 | Very low | 25 | Very low | 74 Ų | 74 | 160.5 Ų | 160.5 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | 161.2 | 25.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | I1539 | G1537-I1539 PolarHBondContact O-N 3.49Š| ||
| 1538 | E | 24.8 | Very low | 24.9 | Very low | 187 Ų | 187 | 160.2 Ų | 160.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -87.8 | 107.3 | 168.8 | -96.4 | -176.2 | 162.8 | 0 | 0 | 109.9 | V1540 | E1538-V1540 PolarHBondContact O-N 3.12Å; E1538-V1540 VanDerWaalsContact O-N 3.12Å | ||
| 1539 | I | 24.5 | Very low | 24.9 | Very low | 143 Ų | 143 | 159.9 Ų | 159.9 | 73% | 0.733 | 83% | 0.829 | S | S | * | * | trans | -71.8 | 94.8 | 171 | -62.4 | 168 | 0 | 0 | 0 | 106.8 | G1537 Y1541 | G1537-I1539 PolarHBondContact O-N 3.49Å; I1539-Y1541 HydrophobicContact CG2-CE2 4.18Å | ||
| 1540 | V | 23.8 | Very low | 24.9 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 70% | 0.697 | 83% | 0.827 | S | S | * | * | trans | -88.1 | 121.1 | 167.7 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | E1538 E1542 | E1538-V1540 PolarHBondContact O-N 3.12Å; E1538-V1540 VanDerWaalsContact O-N 3.12Å; V1540-E1542 PolarHBondContact O-N 3.45Å; V1540-E1542 VanDerWaalsContact O-N 3.15Å | ||
| 1541 | Y | 24.6 | Very low | 24.8 | Very low | 208 Ų | 208 | 162.5 Ų | 162.5 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | trans | -74.1 | 96.8 | 171.7 | -74.1 | -90.8 | 0 | 0 | 0 | 108.6 | I1539 C1543 | I1539-Y1541 HydrophobicContact CG2-CE2 4.18Å; Y1541-C1543 PolarHBondContact O-N 3.1Å | ||
| 1542 | E | 22.3 | Very low | 24.8 | Very low | 184 Ų | 184 | 161 Ų | 161 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -70.2 | 115.2 | 165.6 | -101.9 | 171.6 | 171.6 | 0 | 0 | 109 | V1540 | V1540-E1542 PolarHBondContact O-N 3.45Å; V1540-E1542 VanDerWaalsContact O-N 3.15Å | ||
| 1543 | C | 24.1 | Very low | 24.6 | Very low | 123 Ų | 123 | 161.1 Ų | 161.1 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -81.7 | 124.3 | 162.1 | -77.9 | 0 | 0 | 0 | 0 | 108 | Y1541 | Y1541-C1543 PolarHBondContact O-N 3.1Š| ||
| 1544 | E | 25.1 | Very low | 24.7 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | -53.6 | 128.5 | -172.4 | -68.8 | 174.2 | 146.6 | 0 | 0 | 114 | F1546 | E1544-F1546 PolarHBondContact O-N 2.63Š| ||
| 1545 | D | 25.1 | Very low | 24.7 | Very low | 159 Ų | 159 | 157.2 Ų | 157.2 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -55.6 | 111.2 | 167.9 | -76 | -45.8 | 0 | 0 | 0 | 111.6 | ||||
| 1546 | F | 25.4 | Very low | 24.8 | Very low | 204 Ų | 204 | 156.5 Ų | 156.5 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -88.5 | 113.9 | 157.1 | -98.2 | -87.9 | 0 | 0 | 0 | 109.3 | E1544 | E1544-F1546 PolarHBondContact O-N 2.63Š| ||
| 1547 | Q | 25.9 | Very low | 24.7 | Very low | 177 Ų | 177 | 157.4 Ų | 157.4 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | -52.6 | 144 | -174.1 | -69.6 | 178.9 | -35.3 | 0 | 0 | 114.8 | V1549 | Q1547-V1549 PolarHBondContact O-N 3.42Š| ||
| 1548 | N | 23.2 | Very low | 24.6 | Very low | 165 Ų | 165 | 161.5 Ų | 161.5 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -40.8 | 116.7 | 159.3 | -74.1 | -40.9 | 0 | 0 | 0 | 112.5 | ||||
| 1549 | V | 25.9 | Very low | 24.7 | Very low | 140 Ų | 140 | 158.2 Ų | 158.2 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -124.6 | 112.8 | 151.2 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | Q1547 | Q1547-V1549 PolarHBondContact O-N 3.42Š| ||
| 1550 | Q | 25.7 | Very low | 24.6 | Very low | 170 Ų | 170 | 157.2 Ų | 157.2 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -59.6 | 147.9 | 176 | -75.2 | 170.5 | -69.6 | 0 | 0 | 111.8 | ||||
| 1551 | Q | 24.3 | Very low | 24.7 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 81% | 0.808 | 83% | 0.833 | S | S | * | * | trans | 18.7 | 111.6 | 147.8 | -72.4 | 176.3 | -33 | 0 | 0 | 117.3 | ||||
| 1552 | D | 26.2 | Very low | 24.8 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 92% | 0.92 | 84% | 0.836 | S | S | * | * | trans | -140.8 | 117.2 | 133.7 | -103.3 | -28.7 | 0 | 0 | 0 | 110.4 | ||||
| 1553 | N | 24.5 | Very low | 25 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | trans | -71.5 | 154.2 | 169.3 | -87.4 | -36.7 | 0 | 0 | 0 | 109.6 | ||||
| 1554 | S | 25 | Very low | 25 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | 78.1 | 112.1 | 165.1 | 77 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1555 | L | 24.4 | Very low | 25.2 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | -164.4 | 98.7 | 128.5 | -99.9 | 153 | 0 | 0 | 0 | 109.8 | |||||
| 1556 | A | 26.1 | Very low | 25.3 | Very low | 81 Ų | 81 | 148.6 Ų | 148.6 | 67% | 0.669 | 83% | 0.825 | S | S | * | * | trans | 17.9 | 116.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | L1558 | A1556-L1558 PolarHBondContact O-N 3.46Š| ||
| 1557 | F | 23 | Very low | 25.3 | Very low | 217 Ų | 217 | 148.3 Ų | 148.3 | 95% | 0.952 | 83% | 0.826 | S | S | * | * | trans | -44.8 | 117.7 | 145 | -78.6 | -98.1 | 0 | 0 | 0 | 110.5 | ||||
| 1558 | L | 23.7 | Very low | 25.3 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -117.2 | 130 | 162.3 | -93.2 | 157.9 | 0 | 0 | 0 | 108.7 | A1556 | A1556-L1558 PolarHBondContact O-N 3.46Š| ||
| 1559 | P | 26.9 | Very low | 25.4 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 151 | -162.2 | 3 | 17.5 | 0 | 0 | 0 | 112.5 | ||
| 1560 | C | 21.4 | Very low | 25.3 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 135.2 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1561 | P | 26.9 | Very low | 25.3 | Very low | 123 Ų | 123 | 146 Ų | 146 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133.9 | -179 | 1.4 | 14.1 | 0 | 0 | 0 | 111.5 | A1563 | P1561-A1563 PolarHBondContact O-N 3.28Š|
| 1562 | N | 25.9 | Very low | 25.4 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -54.6 | 112.5 | 164.6 | -75 | -30.7 | 0 | 0 | 0 | 110.6 | ||||
| 1563 | A | 27.2 | Very low | 25.5 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -108.9 | 84 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108 | P1561 | P1561-A1563 PolarHBondContact O-N 3.28Š| ||
| 1564 | S | 24.2 | Very low | 25.6 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -75.4 | 146.5 | 164.4 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1565 | D | 27.6 | Very low | 25.9 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | 68.3 | 91.5 | 158.6 | -60.4 | -23.5 | 0 | 0 | 0 | 119.1 | ||||
| 1566 | N | 28.8 | Very low | 26.3 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | -170.2 | 76.3 | 125.6 | -95.8 | -35.5 | 0 | 0 | 0 | 110.7 | R1568 | N1566-R1568 VanDerWaalsContact C-N 3.33Å; N1566-R1568 PolarHBondContact O-N 2.92Å | |||
| 1567 | Q | 25.4 | Very low | 26.5 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -72.4 | 88.4 | 162.8 | -78.9 | -178.2 | -15.4 | 0 | 0 | 109.3 | ||||
| 1568 | R | 25.7 | Very low | 26.7 | Very low | 229 Ų | 229 | 139.7 Ų | 139.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -103.8 | 88.6 | 153.6 | -85.4 | -173.6 | 178 | -179.3 | 0.4 | 108 | N1566 I1570 | N1566-R1568 VanDerWaalsContact C-N 3.33Å; N1566-R1568 PolarHBondContact O-N 2.92Å; R1568-I1570 PolarHBondContact O-N 3.46Å | ||
| 1569 | S | 24.6 | Very low | 26.8 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -66.2 | 101.8 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1570 | I | 24.4 | Very low | 26.8 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | -101.9 | 116.7 | 155.8 | -61.1 | 177.9 | 0 | 0 | 0 | 105.8 | R1568 L1572 | R1568-I1570 PolarHBondContact O-N 3.46Å; I1570-L1572 PolarHBondContact O-N 3.12Å | ||
| 1571 | P | 25.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 110.6 | -167.6 | 28.8 | -30.7 | 0 | 0 | 0 | 110.4 | S1573 | P1571-S1573 VanDerWaalsContact C-N 3.29Å; P1571-S1573 PolarHBondContact O-N 2.9Å; P1571-S1573 VanDerWaalsContact O-N 3.08Å | ||
| 1572 | L | 25.9 | Very low | 27.2 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -75.2 | 89.3 | 159.6 | -119.7 | 96.4 | 0 | 0 | 0 | 107.4 | I1570 I1574 | I1570-L1572 PolarHBondContact O-N 3.12Å; L1572-I1574 HydrophobicContact CD2-CD1 4.11Å; L1572-I1574 HydrophobicContact CD2-CG1 4.1Å; L1572-I1574 PolarHBondContact O-N 3.07Å | ||
| 1573 | S | 27.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -69.5 | 80.6 | 165.3 | 54.7 | 0 | 0 | 0 | 0 | 108.8 | P1571 A1575 | P1571-S1573 VanDerWaalsContact C-N 3.29Å; P1571-S1573 PolarHBondContact O-N 2.9Å; P1571-S1573 VanDerWaalsContact O-N 3.08Å; S1573-A1575 PolarHBondContact O-N 3.44Å | ||
| 1574 | I | 28.3 | Very low | 27.3 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 65% | 0.646 | 81% | 0.808 | S | S | * | * | trans | -75.5 | 87.6 | 157.9 | -59 | 178.7 | 0 | 0 | 0 | 104.9 | L1572 I1576 | L1572-I1574 HydrophobicContact CD2-CD1 4.11Å; L1572-I1574 HydrophobicContact CD2-CG1 4.1Å; L1572-I1574 PolarHBondContact O-N 3.07Å; I1574-I1576 HydrophobicContact CG2-CG1 3.78Å; I1574-I1576 PolarHBondContact O-N 2.93Å | ||
| 1575 | A | 30.9 | Very low | 27.5 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -65.2 | 94.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | S1573 S1577 | S1573-A1575 PolarHBondContact O-N 3.44Å; A1575-S1577 VanDerWaalsContact C-N 3.25Å; A1575-S1577 PolarHBondContact O-N 2.91Å | ||
| 1576 | I | 31.2 | Very low | 27.5 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 77% | 0.774 | 82% | 0.823 | S | S | * | * | trans | -68.9 | 98.2 | 161.5 | -59.6 | 179.4 | 0 | 0 | 0 | 104.2 | I1574 | I1574-I1576 HydrophobicContact CG2-CG1 3.78Å; I1574-I1576 PolarHBondContact O-N 2.93Å | ||
| 1577 | S | 31.5 | Very low | 27.4 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 100% | 1.217 | 82% | 0.821 | S | S | * | * | trans | -55.6 | 0 | 164.1 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | A1575 | A1575-S1577 VanDerWaalsContact C-N 3.25Å; A1575-S1577 PolarHBondContact O-N 2.91Å |
Retrieved 1,577 of 1,577 residues in 2196.1 ms
(Link to these results)