| 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 | 53.9 | Low | 63.4 | Low | 211 Ų | 211 | 111.5 Ų | 111.5 | 100% | 1.039 | 57% | 0.574 | S | S | * | * | 0 | -38.1 | 0 | -63 | -172.5 | -175.6 | 0 | 0 | 113.4 | S3 I4 | M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 3.49Å | |||
| 2 | A | 53.5 | Low | 63.4 | Low | 70 Ų | 70 | 111.3 Ų | 111.3 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.7 | -25.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R6 | A2-R6 PolarHBondContact O-N 3.23Å |
| 3 | S | 62.9 | Low | 63.3 | Low | 96 Ų | 96 | 109.9 Ų | 109.9 | 67% | 0.671 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.8 | -33.2 | -179.4 | -164.8 | 0 | 0 | 0 | 0 | 113.5 | M1 F7 | M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-F7 PolarHBondContact O-N 3.01Å; S3-F7 VanDerWaalsContact O-N 3.17Å |
| 4 | I | 62.1 | Low | 63.3 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.6 | -39.8 | -176.9 | -65.1 | 167.8 | 0 | 0 | 0 | 109.7 | M1 R6 F7 N8 | M1-I4 PolarHBondContact O-N 3.49Å; I4-R6 PolarHBondContact O-N 3.36Å; I4-F7 PolarHBondContact O-N 3.3Å; I4-N8 WeakPolarHBondContact CG2-ND2 3.48Å; I4-N8 WeakPolarHBondContact O-CB 3.41Å; I4-N8 PolarHBondContact O-N 3.34Å; I4-N8 PolarHBondContact O-ND2 2.75Å; I4-N8 VanDerWaalsContact O-ND2 3.11Å |
| 5 | I | 62.6 | Low | 62.8 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 55% | 0.549 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 177.8 | -58.6 | 172.5 | 0 | 0 | 0 | 110.6 | F7 N8 I9 | I5-F7 PolarHBondContact O-N 2.98Å; I5-N8 PolarHBondContact O-N 3.02Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 VanDerWaalsContact O-CG1 3.3Å; I5-I9 WeakPolarHBondContact O-CG1 3.27Å; I5-I9 PolarHBondContact O-N 2.89Å |
| 6 | R | 65.2 | Low | 62.3 | Low | 197 Ų | 197 | 105.3 Ų | 105.3 | 74% | 0.743 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.4 | -38.9 | 177.2 | -69.9 | -174.6 | 179.1 | -173.3 | -0.3 | 112.7 | A2 I4 I9 L10 | A2-R6 PolarHBondContact O-N 3.23Å; I4-R6 PolarHBondContact O-N 3.36Å; R6-I9 PolarHBondContact O-N 3.23Å; R6-L10 WeakPolarHBondContact O-CB 3.44Å; R6-L10 PolarHBondContact O-N 2.78Å |
| 7 | F | 69.3 | Low | 61.5 | Low | 129 Ų | 129 | 102.5 Ų | 102.5 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 176.4 | -169.8 | -102.3 | 0 | 0 | 0 | 111.7 | S3 I4 I5 L10 L11 | S3-F7 PolarHBondContact O-N 3.01Å; S3-F7 VanDerWaalsContact O-N 3.17Å; I4-F7 PolarHBondContact O-N 3.3Å; I5-F7 PolarHBondContact O-N 2.98Å; F7-L10 PolarHBondContact O-N 3.26Å; F7-L11 HydrophobicContact CD1-CD1 3.71Å; F7-L11 HydrophobicContact CD1-CG 4.32Å; F7-L11 HydrophobicContact CE1-CD1 3.47Å; F7-L11 VanDerWaalsContact CE1-CD1 3.47Å; F7-L11 HydrophobicContact CE1-CG 4.12Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 2.92Å |
| 8 | N | 64.3 | Low | 60.8 | Low | 32 Ų | 32 | 105.3 Ų | 105.3 | 17% | 0.171 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 176.1 | -73.2 | -38.1 | 0 | 0 | 0 | 112.6 | I4 I5 L10 L11 L12 F140 | I4-N8 WeakPolarHBondContact CG2-ND2 3.48Å; I4-N8 WeakPolarHBondContact O-CB 3.41Å; I4-N8 PolarHBondContact O-N 3.34Å; I4-N8 PolarHBondContact O-ND2 2.75Å; I4-N8 VanDerWaalsContact O-ND2 3.11Å; I5-N8 PolarHBondContact O-N 3.02Å; N8-L10 VanDerWaalsContact C-N 3.35Å; N8-L11 PolarHBondContact O-N 2.8Å; N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.84Å; N8-F140 HydrophobicContact CB-CE1 4.16Å; N8-F140 VanDerWaalsContact OD1-CE1 3.29Å; N8-F140 WeakPolarHBondContact OD1-CE1 3.49Å; N8-F140 VanDerWaalsContact OD1-CZ 3.22Å; N8-F140 WeakPolarHBondContact OD1-CZ 3.29Å |
| 9 | I | 68.4 | Low | 59.8 | Low | 94 Ų | 94 | 101.8 Ų | 101.8 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 174.4 | -67.5 | 167.8 | 0 | 0 | 0 | 110.9 | I5 R6 L12 L13 | I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 VanDerWaalsContact O-CG1 3.3Å; I5-I9 WeakPolarHBondContact O-CG1 3.27Å; I5-I9 PolarHBondContact O-N 2.89Å; R6-I9 PolarHBondContact O-N 3.23Å; I9-L12 PolarHBondContact O-N 2.75Å; I9-L13 HydrophobicContact CG2-CD1 3.97Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 2.91Å |
| 10 | L | 68.5 | Low | 58.7 | Low | 107 Ų | 107 | 101.7 Ų | 101.7 | 56% | 0.56 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 178 | -160.4 | 82 | 0 | 0 | 0 | 111.4 | R6 F7 N8 L12 L13 L14 | R6-L10 WeakPolarHBondContact O-CB 3.44Å; R6-L10 PolarHBondContact O-N 2.78Å; F7-L10 PolarHBondContact O-N 3.26Å; N8-L10 VanDerWaalsContact C-N 3.35Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 2.78Å; L10-L13 PolarHBondContact O-N 2.92Å; L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 VanDerWaalsContact O-CD1 3.25Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 2.78Å; L10-L14 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 67.1 | Low | 57.7 | Low | 71 Ų | 71 | 101.7 Ų | 101.7 | 37% | 0.372 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 174.9 | -74.9 | 174.5 | 0 | 0 | 0 | 112.4 | F7 N8 L13 P15 | F7-L11 HydrophobicContact CD1-CD1 3.71Å; F7-L11 HydrophobicContact CD1-CG 4.32Å; F7-L11 HydrophobicContact CE1-CD1 3.47Å; F7-L11 VanDerWaalsContact CE1-CD1 3.47Å; F7-L11 HydrophobicContact CE1-CG 4.12Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 2.92Å; N8-L11 PolarHBondContact O-N 2.8Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-P15 VanDerWaalsContact O-CD 3.31Å; L11-P15 WeakPolarHBondContact O-CD 3.34Å |
| 12 | L | 63.3 | Low | 56.9 | Low | 108 Ų | 108 | 95.2 Ų | 95.2 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.8 | -30.8 | 178.5 | -154.3 | 138.7 | 0 | 0 | 0 | 112.2 | N8 I9 L10 P15 F16 | N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.84Å; I9-L12 PolarHBondContact O-N 2.75Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 2.78Å; L12-P15 WeakPolarHBondContact O-CD 3.49Å; L12-F16 HydrophobicContact CD2-CE2 4.38Å; L12-F16 VanDerWaalsContact O-CD2 3.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.39Å |
| 13 | L | 62.1 | Low | 56.1 | Low | 94 Ų | 94 | 98 Ų | 98 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -86.7 | -21.6 | 180 | -68.8 | 172.9 | 0 | 0 | 0 | 114.4 | I9 L10 L11 F16 A17 | I9-L13 HydrophobicContact CG2-CD1 3.97Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 2.92Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-F16 PolarHBondContact O-N 2.82Å; L13-A17 PolarHBondContact O-N 2.8Å |
| 14 | L | 63.2 | Low | 55 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -51.5 | -48.3 | 177.6 | -112.1 | 93.7 | 0 | 0 | 0 | 114 | L10 A17 F18 | L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 VanDerWaalsContact O-CD1 3.25Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 2.78Å; L10-L14 VanDerWaalsContact O-N 3.11Å; L14-A17 PolarHBondContact O-N 3.49Å; L14-F18 PolarHBondContact O-N 2.96Å; L14-F18 VanDerWaalsContact O-N 3.1Å |
| 15 | P | 56.3 | Low | 53.8 | Low | 45 Ų | 45 | 102.6 Ų | 102.6 | 29% | 0.292 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.2 | -33.2 | 179.3 | 23.7 | -31.5 | 0 | 0 | 0 | 112.9 | L11 L12 F18 C19 | L11-P15 VanDerWaalsContact O-CD 3.31Å; L11-P15 WeakPolarHBondContact O-CD 3.34Å; L12-P15 WeakPolarHBondContact O-CD 3.49Å; P15-F18 PolarHBondContact O-N 2.8Å; P15-C19 PolarHBondContact O-N 3.5Å |
| 16 | F | 53.8 | Low | 52.8 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 174.9 | -70.1 | -83.6 | 0 | 0 | 0 | 112.1 | L12 L13 F18 C19 S20 L119 | L12-F16 HydrophobicContact CD2-CE2 4.38Å; L12-F16 VanDerWaalsContact O-CD2 3.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.39Å; L13-F16 PolarHBondContact O-N 2.82Å; F16-F18 VanDerWaalsContact C-N 3.35Å; F16-C19 WeakPolarHBondContact O-CB 3.38Å; F16-C19 PolarHBondContact O-N 2.89Å; F16-S20 PolarHBondContact O-N 2.85Å; F16-S20 PolarHBondContact O-OG 3.27Å; F16-L119 HydrophobicContact CE1-CD2 4.19Å; F16-L119 HydrophobicContact CZ-CD2 4.26Å |
| 17 | A | 48.9 | Very low | 51.8 | Low | 57 Ų | 57 | 98.3 Ų | 98.3 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69 | -32.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L13 L14 S20 T21 | L13-A17 PolarHBondContact O-N 2.8Å; L14-A17 PolarHBondContact O-N 3.49Å; A17-S20 PolarHBondContact O-N 2.77Å; A17-T21 PolarHBondContact O-OG1 2.8Å |
| 18 | F | 48.5 | Very low | 50.5 | Low | 153 Ų | 153 | 99.3 Ų | 99.3 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.7 | -35.1 | 173.9 | -119.8 | -92.2 | 0 | 0 | 0 | 112.2 | L14 P15 F16 S20 T21 | L14-F18 PolarHBondContact O-N 2.96Å; L14-F18 VanDerWaalsContact O-N 3.1Å; P15-F18 PolarHBondContact O-N 2.8Å; F16-F18 VanDerWaalsContact C-N 3.35Å; F18-S20 VanDerWaalsContact C-N 3.33Å; F18-S20 PolarHBondContact O-N 3.27Å; F18-T21 PolarHBondContact O-OG1 3.1Å |
| 19 | C | 41.7 | Very low | 49.7 | Very low | 39 Ų | 39 | 99.2 Ų | 99.2 | 26% | 0.264 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60 | -38.7 | 171.2 | -101.1 | 0 | 0 | 0 | 0 | 113.3 | P15 F16 T21 C120 | P15-C19 PolarHBondContact O-N 3.5Å; F16-C19 WeakPolarHBondContact O-CB 3.38Å; F16-C19 PolarHBondContact O-N 2.89Å; C19-T21 VanDerWaalsContact C-N 3.34Å; C19-C120 HydrophobicContact CB-CB 4.39Å; C19-C120 WeakPolarHBondContact CB-SG 3.23Å; C19-C120 WeakPolarHBondContact SG-CB 3.41Å; C19-C120 CovalentContact SG-SG 2.02Å; C19-C120 PolarHBondContact SG-SG 2.96Å |
| 20 | S | 38.7 | Very low | 49 | Very low | 100 Ų | 100 | 98.1 Ų | 98.1 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -6.1 | -174.4 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | F16 A17 F18 | F16-S20 PolarHBondContact O-N 2.85Å; F16-S20 PolarHBondContact O-OG 3.27Å; A17-S20 PolarHBondContact O-N 2.77Å; F18-S20 VanDerWaalsContact C-N 3.33Å; F18-S20 PolarHBondContact O-N 3.27Å |
| 21 | T | 38.7 | Very low | 48.3 | Very low | 102 Ų | 102 | 98 Ų | 98 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -0.6 | -174 | 46.5 | 0 | 0 | 0 | 0 | 114.5 | A17 F18 C19 T23 | A17-T21 PolarHBondContact O-OG1 2.8Å; F18-T21 PolarHBondContact O-OG1 3.1Å; C19-T21 VanDerWaalsContact C-N 3.34Å; T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.01Å |
| 22 | T | 37 | Very low | 47.6 | Very low | 74 Ų | 74 | 98.2 Ų | 98.2 | 45% | 0.454 | 56% | 0.564 | S | S | . | * | trans | -88.5 | 63.4 | 168.8 | 54.4 | 0 | 0 | 0 | 0 | 110.9 | T24 | T22-T24 PolarHBondContact O-N 3.13Å; T22-T24 VanDerWaalsContact O-N 3.14Å | ||
| 23 | T | 36 | Very low | 47.3 | Very low | 129 Ų | 129 | 97.1 Ų | 97.1 | 79% | 0.791 | 56% | 0.562 | S | S | * | * | trans | -77.9 | 72.8 | 148.1 | 50.8 | 0 | 0 | 0 | 0 | 106.6 | T21 E25 | T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.01Å; T23-E25 PolarHBondContact O-N 2.91Å | ||
| 24 | T | 38.8 | Very low | 47 | Very low | 113 Ų | 113 | 99.7 Ų | 99.7 | 69% | 0.693 | 57% | 0.571 | S | S | * | * | trans | -70.1 | 119.9 | 166.1 | -42.4 | 0 | 0 | 0 | 0 | 105.2 | T22 E26 | T22-T24 PolarHBondContact O-N 3.13Å; T22-T24 VanDerWaalsContact O-N 3.14Å; T24-E26 PolarHBondContact O-N 3.29Å | ||
| 25 | E | 37.4 | Very low | 46.6 | Very low | 193 Ų | 193 | 96.1 Ų | 96.1 | 90% | 0.902 | 56% | 0.558 | S | S | * | * | trans | -57.4 | 88.7 | 167.3 | -65 | 177.4 | 122.5 | 0 | 0 | 107.9 | T23 | T23-E25 PolarHBondContact O-N 2.91Š| ||
| 26 | E | 40.8 | Very low | 46.7 | Very low | 97 Ų | 97 | 97.3 Ų | 97.3 | 45% | 0.453 | 57% | 0.572 | S | S | . | * | trans | -76.2 | 127.7 | 171 | -131.7 | -174.2 | 136.5 | 0 | 0 | 107.1 | T24 D28 N124 | T24-E26 PolarHBondContact O-N 3.29Å; E26-D28 PolarHBondContact O-N 3.36Å; E26-N124 PolarHBondContact OE1-ND2 3.41Å | ||
| 27 | P | 44.4 | Very low | 46.7 | Very low | 116 Ų | 116 | 95.7 Ų | 95.7 | 75% | 0.753 | 57% | 0.571 | S | S | * | * | trans | -65.8 | 124.7 | 180 | 26.5 | -32.6 | 0 | 0 | 0 | 109.2 | G29 | P27-G29 VanDerWaalsContact C-N 3.28Å; P27-G29 PolarHBondContact O-N 3.49Å | ||
| 28 | D | 43 | Very low | 47.1 | Very low | 150 Ų | 150 | 97.1 Ų | 97.1 | 80% | 0.802 | 57% | 0.574 | S | S | * | * | trans | -56.4 | 94.4 | 162.2 | -86.2 | -40.3 | 0 | 0 | 0 | 108.4 | E26 | E26-D28 PolarHBondContact O-N 3.36Š| ||
| 29 | G | 48.1 | Very low | 47 | Very low | 31 Ų | 31 | 94.6 Ų | 94.6 | 32% | 0.32 | 57% | 0.571 | S | S | . | * | trans | -96.5 | 96 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P27 | P27-G29 VanDerWaalsContact C-N 3.28Å; P27-G29 PolarHBondContact O-N 3.49Å | ||
| 30 | S | 52.5 | Low | 47.5 | Very low | 70 Ų | 70 | 97.8 Ų | 97.8 | 49% | 0.49 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.2 | 160.8 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | E49 | S30-E49 PolarHBondContact OG-OE1 3.24Å |
| 31 | N | 53.5 | Low | 48.1 | Very low | 104 Ų | 104 | 94.9 Ų | 94.9 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 113.9 | 174.5 | -67.1 | -10.8 | 0 | 0 | 0 | 108.2 | N50 | N31-N50 PolarHBondContact N-O 2.79Å; N31-N50 PolarHBondContact O-N 3.37Å |
| 32 | S | 53.1 | Low | 48.5 | Very low | 77 Ų | 77 | 91.9 Ų | 91.9 | 54% | 0.538 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.1 | 171.7 | 67.7 | 0 | 0 | 0 | 0 | 110.5 | T48 | S32-T48 CarbonylContact C-O 3.52Å; S32-T48 WeakPolarHBondContact CA-O 2.91Å |
| 33 | T | 57 | Low | 49.1 | Very low | 85 Ų | 85 | 90.2 Ų | 90.2 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 119.7 | 168.8 | -55.9 | 0 | 0 | 0 | 0 | 109 | T47 T48 | T33-T47 WeakPolarHBondContact O-CA 3.37Å; T33-T48 PolarHBondContact N-O 2.91Å; T33-T48 PolarHBondContact O-N 3.14Å |
| 34 | E | 55.7 | Low | 49.7 | Very low | 148 Ų | 148 | 85.9 Ų | 85.9 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.8 | 174.1 | -65.4 | -173.9 | 162.7 | 0 | 0 | 110.3 | F46 T47 | E34-F46 WeakPolarHBondContact CA-O 3.46Å; E34-T47 HydrophobicContact CG-CG2 4.05Å |
| 35 | G | 55.2 | Low | 50.3 | Low | 23 Ų | 23 | 84.1 Ų | 84.1 | 24% | 0.237 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 155.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E45 F46 | G35-E45 CarbonylContact O-C 3.59Å; G35-E45 WeakPolarHBondContact O-CA 3.45Å; G35-F46 VanDerWaalsContact CA-CZ 3.49Å; G35-F46 PolarHBondContact N-O 2.82Å; G35-F46 VanDerWaalsContact O-CD1 3.29Å; G35-F46 WeakPolarHBondContact O-CD1 3.25Å; G35-F46 PolarHBondContact O-N 3.47Å |
| 36 | A | 58.5 | Low | 51 | Low | 70 Ų | 70 | 78.6 Ų | 78.6 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V44 E45 | A36-V44 WeakPolarHBondContact CA-O 3.49Å; A36-E45 HydrophobicContact CB-CG 4.16Å |
| 37 | T | 53.6 | Low | 51.5 | Low | 78 Ų | 78 | 76.3 Ų | 76.3 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.6 | 172.5 | -157.7 | 0 | 0 | 0 | 0 | 109.8 | T43 V44 | T37-T43 CarbonylContact O-C 3.49Å; T37-T43 WeakPolarHBondContact O-CA 3.47Å; T37-V44 HydrophobicContact CG2-CB 4.24Å; T37-V44 PolarHBondContact N-O 2.78Å; T37-V44 PolarHBondContact O-N 3.11Å |
| 38 | T | 56 | Low | 51.9 | Low | 88 Ų | 88 | 72.2 Ų | 72.2 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.6 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | T42 T43 | T38-T42 CarbonylContact C-O 3.6Å; T38-T42 VanDerWaalsContact CA-O 3.27Å; T38-T42 WeakPolarHBondContact CA-O 3.29Å; T38-T43 WeakPolarHBondContact CG2-OG1 3.32Å; T38-T43 PolarHBondContact OG1-OG1 2.71Å |
| 39 | V | 47.9 | Very low | 52.4 | Low | 99 Ų | 99 | 69.5 Ų | 69.5 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.4 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | G41 T42 | V39-G41 PolarHBondContact O-N 3.14Å; V39-T42 PolarHBondContact N-O 2.96Å; V39-T42 WeakPolarHBondContact O-CA 3.44Å; V39-T42 WeakPolarHBondContact O-CB 3.34Å; V39-T42 PolarHBondContact O-N 3.14Å |
| 40 | A | 51.6 | Low | 52.6 | Low | 107 Ų | 107 | 70.1 Ų | 70.1 | 88% | 0.884 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T42 | A40-T42 PolarHBondContact O-N 3.19Š|
| 41 | G | 50.5 | Low | 52.6 | Low | 39 Ų | 39 | 69.4 Ų | 69.4 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 2.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V39 A69 | V39-G41 PolarHBondContact O-N 3.14Å; G41-A69 PolarHBondContact O-N 2.89Å |
| 42 | T | 47.1 | Very low | 52.4 | Low | 38 Ų | 38 | 66.8 Ų | 66.8 | 23% | 0.233 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.5 | 172.8 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | T38 V39 A40 T66 T67 T68 | T38-T42 CarbonylContact C-O 3.6Å; T38-T42 VanDerWaalsContact CA-O 3.27Å; T38-T42 WeakPolarHBondContact CA-O 3.29Å; V39-T42 PolarHBondContact N-O 2.96Å; V39-T42 WeakPolarHBondContact O-CA 3.44Å; V39-T42 WeakPolarHBondContact O-CB 3.34Å; V39-T42 PolarHBondContact O-N 3.14Å; A40-T42 PolarHBondContact O-N 3.19Å; T42-T66 HydrophobicContact CG2-CG2 3.64Å; T42-T67 CarbonylContact C-O 3.53Å; T42-T67 WeakPolarHBondContact CA-O 3.3Å; T42-T68 WeakPolarHBondContact CG2-OG1 3.42Å |
| 43 | T | 50.4 | Low | 52.1 | Low | 40 Ų | 40 | 65.8 Ų | 65.8 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.5 | 173.9 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | T37 T38 E45 T66 T67 | T37-T43 CarbonylContact O-C 3.49Å; T37-T43 WeakPolarHBondContact O-CA 3.47Å; T38-T43 WeakPolarHBondContact CG2-OG1 3.32Å; T38-T43 PolarHBondContact OG1-OG1 2.71Å; T43-E45 HydrophobicContact CG2-CG 4.34Å; T43-T66 CarbonylContact O-C 3.57Å; T43-T67 PolarHBondContact N-O 2.84Å; T43-T67 PolarHBondContact O-N 3.03Å |
| 44 | V | 48.7 | Very low | 51.8 | Low | 38 Ų | 38 | 67.6 Ų | 67.6 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 111.4 | 172.9 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | A36 T37 L64 K65 T66 | A36-V44 WeakPolarHBondContact CA-O 3.49Å; T37-V44 HydrophobicContact CG2-CB 4.24Å; T37-V44 PolarHBondContact N-O 2.78Å; T37-V44 PolarHBondContact O-N 3.11Å; V44-L64 HydrophobicContact CG1-CD2 4.27Å; V44-K65 WeakPolarHBondContact CA-O 3.4Å; V44-T66 HydrophobicContact CG2-CG2 4.11Å |
| 45 | E | 51.9 | Low | 51.4 | Low | 76 Ų | 76 | 63 Ų | 63 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.7 | 169.9 | -62.8 | 170.1 | 165 | 0 | 0 | 107.8 | G35 A36 T43 L64 K65 | G35-E45 CarbonylContact O-C 3.59Å; G35-E45 WeakPolarHBondContact O-CA 3.45Å; A36-E45 HydrophobicContact CB-CG 4.16Å; T43-E45 HydrophobicContact CG2-CG 4.34Å; E45-L64 CarbonylContact O-C 3.55Å; E45-L64 WeakPolarHBondContact O-CA 3.48Å; E45-K65 HydrophobicContact CB-CB 4.31Å; E45-K65 PolarHBondContact N-O 2.85Å; E45-K65 PolarHBondContact O-N 3.2Å; E45-K65 WeakPolarHBondContact OE2-CD 3.44Å; E45-K65 WeakPolarHBondContact OE2-CE 3.24Å; E45-K65 IonicContact OE2-NZ 2.75Å; E45-K65 PolarHBondContact OE2-NZ 3.22Å |
| 46 | F | 51.3 | Low | 50.9 | Low | 77 Ų | 77 | 66 Ų | 66 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.4 | 171.3 | 63.9 | -89.1 | 0 | 0 | 0 | 110.1 | E34 G35 T63 | E34-F46 WeakPolarHBondContact CA-O 3.46Å; G35-F46 VanDerWaalsContact CA-CZ 3.49Å; G35-F46 PolarHBondContact N-O 2.82Å; G35-F46 VanDerWaalsContact O-CD1 3.29Å; G35-F46 WeakPolarHBondContact O-CD1 3.25Å; G35-F46 PolarHBondContact O-N 3.47Å; F46-T63 VanDerWaalsContact CA-O 3.32Å; F46-T63 WeakPolarHBondContact CA-O 3.03Å |
| 47 | T | 51 | Low | 50.5 | Low | 49 Ų | 49 | 65.7 Ų | 65.7 | 30% | 0.301 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.6 | 171.9 | -54.9 | 0 | 0 | 0 | 0 | 107.1 | T33 E34 T62 T63 | T33-T47 WeakPolarHBondContact O-CA 3.37Å; E34-T47 HydrophobicContact CG-CG2 4.05Å; T47-T62 CarbonylContact O-C 3.54Å; T47-T62 WeakPolarHBondContact O-CA 3.31Å; T47-T63 PolarHBondContact N-O 3.43Å; T47-T63 PolarHBondContact O-N 2.92Å |
| 48 | T | 52.3 | Low | 50.2 | Low | 30 Ų | 30 | 66 Ų | 66 | 18% | 0.184 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 117.2 | 174 | -52 | 0 | 0 | 0 | 0 | 108.1 | S32 T33 N50 T61 | S32-T48 CarbonylContact C-O 3.52Å; S32-T48 WeakPolarHBondContact CA-O 2.91Å; T33-T48 PolarHBondContact N-O 2.91Å; T33-T48 PolarHBondContact O-N 3.14Å; T48-N50 VanDerWaalsContact CG2-OD1 3.3Å; T48-N50 WeakPolarHBondContact CG2-OD1 3.43Å; T48-T61 WeakPolarHBondContact CA-O 3.05Å |
| 49 | E | 53.8 | Low | 50 | Low | 92 Ų | 92 | 63.2 Ų | 63.2 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.5 | 174.6 | -173 | 175.6 | -170.2 | 0 | 0 | 108.8 | S30 T61 | S30-E49 PolarHBondContact OG-OE1 3.24Å; E49-T61 PolarHBondContact N-O 3.46Å; E49-T61 PolarHBondContact O-N 3.49Å |
| 50 | N | 52.8 | Low | 50.2 | Low | 45 Ų | 45 | 60.9 Ų | 60.9 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.6 | 176.3 | -73 | 32.2 | 0 | 0 | 0 | 107.9 | N31 T48 D60 | N31-N50 PolarHBondContact N-O 2.79Å; N31-N50 PolarHBondContact O-N 3.37Å; T48-N50 VanDerWaalsContact CG2-OD1 3.3Å; T48-N50 WeakPolarHBondContact CG2-OD1 3.43Å; N50-D60 PolarHBondContact ND2-OD1 3.08Å; N50-D60 PolarHBondContact OD1-OD1 3.41Å; N50-D60 VanDerWaalsContact OD1-OD1 3.1Å |
| 51 | T | 52.8 | Low | 50.2 | Low | 55 Ų | 55 | 57.9 Ų | 57.9 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 108.4 | 170.7 | -51 | 0 | 0 | 0 | 0 | 108.5 | V53 V58 A59 | T51-V53 HydrophobicContact CG2-CG2 4.13Å; T51-V58 PolarHBondContact O-N 3.41Å; T51-A59 PolarHBondContact N-O 3.04Å; T51-A59 VanDerWaalsContact N-O 3.13Å |
| 52 | T | 48.6 | Very low | 50.3 | Low | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123.6 | 172.4 | -51.9 | 0 | 0 | 0 | 0 | 108.6 | T56 | T52-T56 WeakPolarHBondContact CA-O 3.46Å |
| 53 | V | 46.9 | Very low | 50.4 | Low | 55 Ų | 55 | 58.3 Ų | 58.3 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 105.8 | T51 T56 V58 | T51-V53 HydrophobicContact CG2-CG2 4.13Å; V53-T56 PolarHBondContact N-O 3.1Å; V53-T56 PolarHBondContact O-N 2.73Å; V53-T56 VanDerWaalsContact O-N 3.11Å; V53-T56 VanDerWaalsContact O-O 3.11Å; V53-T56 PolarHBondContact O-OG1 2.88Å; V53-V58 HydrophobicContact CB-CG2 3.52Å; V53-V58 HydrophobicContact CG2-CB 4.44Å; V53-V58 HydrophobicContact CG2-CG2 3.59Å |
| 54 | I | 51.5 | Low | 50.1 | Low | 124 Ų | 124 | 59.7 Ų | 59.7 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 58.1 | 173 | -49.4 | 158.5 | 0 | 0 | 0 | 111.5 | T56 | I54-T56 PolarHBondContact O-N 3.07Š|
| 55 | G | 47.9 | Very low | 50 | Low | 52 Ų | 52 | 61.4 Ų | 61.4 | 54% | 0.536 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 0.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 56 | T | 43.2 | Very low | 49.8 | Very low | 85 Ų | 85 | 60.2 Ų | 60.2 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | T52 V53 I54 V58 | T52-T56 WeakPolarHBondContact CA-O 3.46Å; V53-T56 PolarHBondContact N-O 3.1Å; V53-T56 PolarHBondContact O-N 2.73Å; V53-T56 VanDerWaalsContact O-N 3.11Å; V53-T56 VanDerWaalsContact O-O 3.11Å; V53-T56 PolarHBondContact O-OG1 2.88Å; I54-T56 PolarHBondContact O-N 3.07Å; T56-V58 PolarHBondContact O-N 2.8Å; T56-V58 VanDerWaalsContact O-N 3.14Å |
| 57 | T | 50.3 | Low | 49.7 | Very low | 63 Ų | 63 | 58.9 Ų | 58.9 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 105 | 170.2 | -54.6 | 0 | 0 | 0 | 0 | 108 | D60 | T57-D60 WeakPolarHBondContact CG2-OD1 3.4Å |
| 58 | V | 48.8 | Very low | 49.6 | Very low | 85 Ų | 85 | 59.5 Ų | 59.5 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -36.6 | -175.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | T51 V53 T56 | T51-V58 PolarHBondContact O-N 3.41Å; V53-V58 HydrophobicContact CB-CG2 3.52Å; V53-V58 HydrophobicContact CG2-CB 4.44Å; V53-V58 HydrophobicContact CG2-CG2 3.59Å; T56-V58 PolarHBondContact O-N 2.8Å; T56-V58 VanDerWaalsContact O-N 3.14Å |
| 59 | A | 50.8 | Low | 49.3 | Very low | 29 Ų | 29 | 61.9 Ų | 61.9 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 130.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | T51 | T51-A59 PolarHBondContact N-O 3.04Å; T51-A59 VanDerWaalsContact N-O 3.13Å |
| 60 | D | 52.6 | Low | 48.7 | Very low | 50 Ų | 50 | 61.2 Ų | 61.2 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 114.6 | 161.4 | -71.1 | -23 | 0 | 0 | 0 | 107.8 | N50 T57 V87 | N50-D60 PolarHBondContact ND2-OD1 3.08Å; N50-D60 PolarHBondContact OD1-OD1 3.41Å; N50-D60 VanDerWaalsContact OD1-OD1 3.1Å; T57-D60 WeakPolarHBondContact CG2-OD1 3.4Å; D60-V87 VanDerWaalsContact O-O 3.1Å |
| 61 | T | 51.5 | Low | 48.1 | Very low | 44 Ų | 44 | 66.2 Ų | 66.2 | 27% | 0.27 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108 | 174.1 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | T48 E49 | T48-T61 WeakPolarHBondContact CA-O 3.05Å; E49-T61 PolarHBondContact N-O 3.46Å; E49-T61 PolarHBondContact O-N 3.49Å |
| 62 | T | 52.8 | Low | 47.4 | Very low | 39 Ų | 39 | 66.6 Ų | 66.6 | 24% | 0.239 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117 | 171.8 | -51.1 | 0 | 0 | 0 | 0 | 110 | T47 L64 | T47-T62 CarbonylContact O-C 3.54Å; T47-T62 WeakPolarHBondContact O-CA 3.31Å; T62-L64 HydrophobicContact CG2-CD1 3.84Å |
| 63 | T | 49.3 | Very low | 47.3 | Very low | 48 Ų | 48 | 72 Ų | 72 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.8 | 171.3 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | F46 T47 | F46-T63 VanDerWaalsContact CA-O 3.32Å; F46-T63 WeakPolarHBondContact CA-O 3.03Å; T47-T63 PolarHBondContact N-O 3.43Å; T47-T63 PolarHBondContact O-N 2.92Å |
| 64 | L | 42.6 | Very low | 47.2 | Very low | 68 Ų | 68 | 73.7 Ų | 73.7 | 36% | 0.356 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.9 | 172.1 | -68.8 | 92 | 0 | 0 | 0 | 110.3 | V44 E45 T62 | V44-L64 HydrophobicContact CG1-CD2 4.27Å; E45-L64 CarbonylContact O-C 3.55Å; E45-L64 WeakPolarHBondContact O-CA 3.48Å; T62-L64 HydrophobicContact CG2-CD1 3.84Å |
| 65 | K | 47.1 | Very low | 46.5 | Very low | 75 Ų | 75 | 69.5 Ų | 69.5 | 33% | 0.326 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 115.4 | 172.3 | 176.6 | 175.1 | 159.3 | -131.2 | 0 | 109 | V44 E45 | V44-K65 WeakPolarHBondContact CA-O 3.4Å; E45-K65 HydrophobicContact CB-CB 4.31Å; E45-K65 PolarHBondContact N-O 2.85Å; E45-K65 PolarHBondContact O-N 3.2Å; E45-K65 WeakPolarHBondContact OE2-CD 3.44Å; E45-K65 WeakPolarHBondContact OE2-CE 3.24Å; E45-K65 IonicContact OE2-NZ 2.75Å; E45-K65 PolarHBondContact OE2-NZ 3.22Å |
| 66 | T | 47.1 | Very low | 46.2 | Very low | 50 Ų | 50 | 73.1 Ų | 73.1 | 31% | 0.307 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.6 | -179.4 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | T42 T43 V44 T81 | T42-T66 HydrophobicContact CG2-CG2 3.64Å; T43-T66 CarbonylContact O-C 3.57Å; V44-T66 HydrophobicContact CG2-CG2 4.11Å; T66-T81 VanDerWaalsContact O-O 3.08Å |
| 67 | T | 50.9 | Low | 46.2 | Very low | 49 Ų | 49 | 74 Ų | 74 | 30% | 0.301 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.1 | 175.7 | -53.4 | 0 | 0 | 0 | 0 | 108.7 | T42 T43 | T42-T67 CarbonylContact C-O 3.53Å; T42-T67 WeakPolarHBondContact CA-O 3.3Å; T43-T67 PolarHBondContact N-O 2.84Å; T43-T67 PolarHBondContact O-N 3.03Å |
| 68 | T | 47.5 | Very low | 45.8 | Very low | 63 Ų | 63 | 80.8 Ų | 80.8 | 39% | 0.387 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 118.4 | 175.5 | -54.7 | 0 | 0 | 0 | 0 | 109.1 | T42 | T42-T68 WeakPolarHBondContact CG2-OG1 3.42Å |
| 69 | A | 46 | Very low | 45.6 | Very low | 79 Ų | 79 | 80.5 Ų | 80.5 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | trans | -87.3 | 109.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | G41 | G41-A69 PolarHBondContact O-N 2.89Š| ||
| 70 | S | 40.8 | Very low | 45.2 | Very low | 78 Ų | 78 | 83.1 Ų | 83.1 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | trans | -103.4 | 115.7 | 173.9 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | S72 | S70-S72 PolarHBondContact O-N 2.02Š| ||
| 71 | T | 40.5 | Very low | 44.7 | Very low | 150 Ų | 150 | 85 Ų | 85 | 92% | 0.92 | 53% | 0.534 | S | S | * | . | trans | -80.3 | 101.5 | 167.8 | 39.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 72 | S | 38.3 | Very low | 44.2 | Very low | 64 Ų | 64 | 90.9 Ų | 90.9 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -89.3 | 140.2 | 168.2 | 171.9 | 0 | 0 | 0 | 0 | 109.7 | S70 A74 G75 | S70-S72 PolarHBondContact O-N 2.02Å; S72-A74 PolarHBondContact O-N 3.02Å; S72-A74 PolarHBondContact OG-N 3.06Å; S72-G75 PolarHBondContact O-N 3.02Å |
| 73 | T | 46.3 | Very low | 43.5 | Very low | 161 Ų | 161 | 92.6 Ų | 92.6 | 99% | 0.988 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 3.7 | 175.1 | -27.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 74 | A | 45.7 | Very low | 43.2 | Very low | 92 Ų | 92 | 97.6 Ų | 97.6 | 76% | 0.76 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 12 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S72 | S72-A74 PolarHBondContact O-N 3.02Å; S72-A74 PolarHBondContact OG-N 3.06Å |
| 75 | G | 36.8 | Very low | 43.1 | Very low | 35 Ų | 35 | 97.6 Ų | 97.6 | 36% | 0.361 | 59% | 0.587 | S | S | . | * | B | Isolated β-bridge | trans | 108.1 | 165.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | S72 T77 | S72-G75 PolarHBondContact O-N 3.02Å; G75-T77 PolarHBondContact O-N 3.02Å |
| 76 | P | 41.4 | Very low | 42.9 | Very low | 129 Ų | 129 | 98 Ų | 98 | 84% | 0.838 | 60% | 0.595 | S | S | * | * | trans | -74.8 | 94.9 | -173.7 | 29.7 | -33.8 | 0 | 0 | 0 | 111.5 | K78 | P76-K78 PolarHBondContact O-N 3.25Š| ||
| 77 | T | 42.9 | Very low | 42.7 | Very low | 102 Ų | 102 | 99.6 Ų | 99.6 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | trans | -87.1 | 104.3 | 168 | -17.8 | 0 | 0 | 0 | 0 | 109.3 | G75 S79 | G75-T77 PolarHBondContact O-N 3.02Å; T77-S79 PolarHBondContact O-N 3.45Å | ||
| 78 | K | 42.7 | Very low | 42.2 | Very low | 206 Ų | 206 | 102.5 Ų | 102.5 | 90% | 0.896 | 62% | 0.623 | S | S | * | * | trans | -74.7 | 103.8 | 169.8 | -70 | -178.9 | -179.9 | -179.7 | 0 | 108.6 | P76 | P76-K78 PolarHBondContact O-N 3.25Š| ||
| 79 | S | 44.2 | Very low | 41.9 | Very low | 79 Ų | 79 | 102.1 Ų | 102.1 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | trans | -96.7 | 123.9 | 167.6 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | T77 | T77-S79 PolarHBondContact O-N 3.45Š| ||
| 80 | S | 42.7 | Very low | 41.6 | Very low | 85 Ų | 85 | 108.7 Ų | 108.7 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | trans | -119 | 106 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 81 | T | 42.1 | Very low | 41.8 | Very low | 90 Ų | 90 | 109.4 Ų | 109.4 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | B | Isolated β-bridge | trans | -95.7 | 109.7 | 175.2 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | T66 | T66-T81 VanDerWaalsContact O-O 3.08Å |
| 82 | K | 39.9 | Very low | 41.9 | Very low | 167 Ų | 167 | 111 Ų | 111 | 73% | 0.726 | 63% | 0.634 | S | S | * | * | trans | -92.8 | 98.8 | 175.1 | -170.1 | 177.3 | -177.9 | 178.9 | 0 | 109.3 | ||||
| 83 | T | 38.7 | Very low | 42 | Very low | 75 Ų | 75 | 114.3 Ų | 114.3 | 46% | 0.46 | 65% | 0.652 | S | S | . | * | trans | -95.3 | 109.6 | 173.6 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | T85 | T83-T85 PolarHBondContact O-N 2.92Š| ||
| 84 | K | 43.5 | Very low | 41.6 | Very low | 153 Ų | 153 | 114.7 Ų | 114.7 | 67% | 0.665 | 64% | 0.64 | S | S | * | * | trans | -87.7 | 104.9 | 171 | -174.4 | -180 | -179.1 | 180 | 0 | 108.7 | ||||
| 85 | T | 40.8 | Very low | 41.1 | Very low | 68 Ų | 68 | 116.1 Ų | 116.1 | 42% | 0.417 | 64% | 0.641 | S | S | . | * | trans | -100.4 | 109.9 | 170.1 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | T83 V87 | T83-T85 PolarHBondContact O-N 2.92Å; T85-V87 HydrophobicContact CG2-CG2 3.96Å | ||
| 86 | T | 41.8 | Very low | 41.2 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | trans | -87.4 | 110.2 | 170.4 | -52.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 87 | V | 43.3 | Very low | 40.9 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 52% | 0.515 | 66% | 0.656 | S | S | . | * | trans | -100.2 | 102.7 | 169.1 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | D60 T85 A89 | D60-V87 VanDerWaalsContact O-O 3.1Å; T85-V87 HydrophobicContact CG2-CG2 3.96Å; V87-A89 PolarHBondContact O-N 3.43Å | ||
| 88 | T | 41.1 | Very low | 40.5 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | trans | -82.3 | 98 | 169 | -52.2 | 0 | 0 | 0 | 0 | 107.5 | R90 | T88-R90 PolarHBondContact O-N 2.97Å; T88-R90 VanDerWaalsContact O-N 3.14Å | ||
| 89 | A | 41.1 | Very low | 40.1 | Very low | 56 Ų | 56 | 122.8 Ų | 122.8 | 46% | 0.463 | 66% | 0.662 | S | S | . | * | trans | -69.6 | 105.7 | 164 | 0 | 0 | 0 | 0 | 0 | 107.2 | V87 | V87-A89 PolarHBondContact O-N 3.43Š| ||
| 90 | R | 39.7 | Very low | 39.5 | Very low | 216 Ų | 216 | 124.4 Ų | 124.4 | 82% | 0.815 | 67% | 0.668 | S | S | * | * | trans | -61.1 | 133 | 163.2 | -176.8 | 176.2 | -175.4 | 162.2 | 0.2 | 106.1 | T88 E92 | T88-R90 PolarHBondContact O-N 2.97Å; T88-R90 VanDerWaalsContact O-N 3.14Å; R90-E92 PolarHBondContact O-N 3.09Å | ||
| 91 | P | 43.5 | Very low | 39 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | trans | -57.5 | 107.9 | 173.2 | 22 | -30.7 | 0 | 0 | 0 | 107.5 | T93 | P91-T93 PolarHBondContact O-N 3.11Å; P91-T93 VanDerWaalsContact O-N 3.07Å | ||
| 92 | E | 42.5 | Very low | 38.3 | Very low | 184 Ų | 184 | 124.9 Ų | 124.9 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -68.3 | 105 | 163.1 | -65 | -147.2 | 144.2 | 0 | 0 | 105 | R90 K94 | R90-E92 PolarHBondContact O-N 3.09Å; E92-K94 PolarHBondContact O-N 3.25Å | ||
| 93 | T | 40.5 | Very low | 38.1 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -54.2 | 90.9 | 156.2 | 42.5 | 0 | 0 | 0 | 0 | 106.6 | P91 P95 | P91-T93 PolarHBondContact O-N 3.11Å; P91-T93 VanDerWaalsContact O-N 3.07Å; T93-P95 WeakPolarHBondContact O-CD 3.38Å | ||
| 94 | K | 39.8 | Very low | 37.5 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 74% | 0.735 | 70% | 0.702 | S | S | * | * | trans | -52.7 | 123.9 | 169.3 | -174.3 | -177.3 | -177.8 | -169.9 | 0 | 105.8 | E92 E96 | E92-K94 PolarHBondContact O-N 3.25Å; K94-E96 PolarHBondContact O-N 3.06Å | ||
| 95 | P | 34.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | -65.6 | 96.8 | 166.6 | 25.9 | -28.6 | 0 | 0 | 0 | 105.8 | T93 A97 | T93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-A97 PolarHBondContact O-N 3.41Å; P95-A97 VanDerWaalsContact O-N 3.08Å | ||
| 96 | E | 39.4 | Very low | 36.3 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -58.8 | 118.4 | 168.3 | -87 | -160.4 | 127.1 | 0 | 0 | 107.2 | K94 R98 | K94-E96 PolarHBondContact O-N 3.06Å; E96-R98 PolarHBondContact O-N 3.01Å | ||
| 97 | A | 33.9 | Very low | 35.7 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | -55 | 107.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P95 T99 | P95-A97 PolarHBondContact O-N 3.41Å; P95-A97 VanDerWaalsContact O-N 3.08Å; A97-T99 VanDerWaalsContact C-N 3.29Å; A97-T99 PolarHBondContact O-N 3.21Å | ||
| 98 | R | 33.8 | Very low | 35.3 | Very low | 229 Ų | 229 | 141.8 Ų | 141.8 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -53.7 | 97.6 | 164 | -85.5 | -172.4 | 173.2 | -170.6 | -1.2 | 107.7 | E96 T100 | E96-R98 PolarHBondContact O-N 3.01Å; R98-T100 PolarHBondContact O-N 2.93Å; R98-T100 PolarHBondContact O-OG1 2.78Å | ||
| 99 | T | 34.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -79.2 | 82.5 | 160.5 | -55 | 0 | 0 | 0 | 0 | 105.8 | A97 T101 | A97-T99 VanDerWaalsContact C-N 3.29Å; A97-T99 PolarHBondContact O-N 3.21Å; T99-T101 PolarHBondContact O-N 3.47Å | ||
| 100 | T | 32.8 | Very low | 34.5 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | -67 | 96.4 | 174.2 | -29.1 | 0 | 0 | 0 | 0 | 107.5 | R98 G102 | R98-T100 PolarHBondContact O-N 2.93Å; R98-T100 PolarHBondContact O-OG1 2.78Å; T100-G102 PolarHBondContact O-N 2.98Å | ||
| 101 | T | 31.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -69.9 | 91.2 | 157.9 | 48.3 | 0 | 0 | 0 | 0 | 106.5 | T99 I103 | T99-T101 PolarHBondContact O-N 3.47Å; T101-I103 PolarHBondContact O-N 2.95Å | ||
| 102 | G | 28.3 | Very low | 33.8 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | trans | -61.4 | 99.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T100 Q104 | T100-G102 PolarHBondContact O-N 2.98Å; G102-Q104 PolarHBondContact O-N 2.58Å | ||
| 103 | I | 34.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | trans | -79.3 | 99.2 | 161.3 | -43.8 | 175.4 | 0 | 0 | 0 | 105.2 | T101 L105 | T101-I103 PolarHBondContact O-N 2.95Å; I103-L105 HydrophobicContact CG2-CD1 4.02Å; I103-L105 HydrophobicContact CG2-CG 4.31Å; I103-L105 PolarHBondContact O-N 3.32Å | ||
| 104 | Q | 27 | Very low | 33.4 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | trans | -65 | 99.9 | 167.7 | -79 | -166.6 | 52.5 | 0 | 0 | 108.4 | G102 | G102-Q104 PolarHBondContact O-N 2.58Š| ||
| 105 | L | 31.6 | Very low | 33.3 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | -109.2 | 105.7 | 160.8 | -84.2 | 153.7 | 0 | 0 | 0 | 107.1 | I103 R107 | I103-L105 HydrophobicContact CG2-CD1 4.02Å; I103-L105 HydrophobicContact CG2-CG 4.31Å; I103-L105 PolarHBondContact O-N 3.32Å; L105-R107 PolarHBondContact O-N 2.9Å; L105-R107 VanDerWaalsContact O-N 3.14Å | ||
| 106 | S | 27.4 | Very low | 33.4 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -62.1 | 110.8 | 178.7 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | N108 | S106-N108 PolarHBondContact O-N 3.49Š| ||
| 107 | R | 29.5 | Very low | 33.3 | Very low | 236 Ų | 236 | 127.8 Ų | 127.8 | 89% | 0.891 | 72% | 0.715 | S | S | * | * | trans | 26.8 | 95.5 | 130.5 | -148.8 | 179 | -158.6 | 177.5 | 4.5 | 115.8 | L105 | L105-R107 PolarHBondContact O-N 2.9Å; L105-R107 VanDerWaalsContact O-N 3.14Å | ||
| 108 | N | 34.5 | Very low | 33.3 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | -152.6 | 104.3 | 127.8 | -139.5 | 68 | 0 | 0 | 0 | 108.9 | S106 | S106-N108 PolarHBondContact O-N 3.49Š| |||
| 109 | D | 30.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 33.4 | 99.7 | 154.9 | -60.4 | -57.6 | 0 | 0 | 0 | 118.4 | ||
| 110 | I | 35.2 | Very low | 33.8 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 57% | 0.574 | 69% | 0.688 | S | S | * | * | -176 | 118.6 | 111.5 | -77.4 | 137.8 | 0 | 0 | 0 | 107.3 | I112 W145 | I110-I112 HydrophobicContact CG2-CD1 4.43Å; I110-I112 HydrophobicContact CG2-CG1 3.77Å; I110-I112 PolarHBondContact O-N 3.24Å; I110-W145 HydrophobicContact CB-CH2 4.46Å; I110-W145 HydrophobicContact CB-CZ3 4.44Å; I110-W145 HydrophobicContact CD1-CH2 3.47Å; I110-W145 VanDerWaalsContact CD1-CH2 3.47Å; I110-W145 HydrophobicContact CD1-CZ3 3.63Å; I110-W145 HydrophobicContact CG1-CH2 3.89Å; I110-W145 HydrophobicContact CG1-CZ3 4.23Å; I110-W145 HydrophobicContact CG2-CH2 3.88Å; I110-W145 HydrophobicContact CG2-CZ3 3.87Å | |||
| 111 | P | 32.7 | Very low | 34 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -89.9 | 97.2 | 172.1 | 33.5 | -24.6 | 0 | 0 | 0 | 108.3 | D113 | P111-D113 PolarHBondContact O-N 2.92Š| ||
| 112 | I | 35.2 | Very low | 34.3 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 48% | 0.482 | 68% | 0.684 | S | S | . | * | trans | -89.8 | 104.8 | 159.2 | -57.1 | -173.8 | 0 | 0 | 0 | 106 | I110 C114 W145 | I110-I112 HydrophobicContact CG2-CD1 4.43Å; I110-I112 HydrophobicContact CG2-CG1 3.77Å; I110-I112 PolarHBondContact O-N 3.24Å; I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 3.17Å; I112-C114 PolarHBondContact O-SG 3.34Å; I112-C114 VanDerWaalsContact O-SG 3.4Å; I112-W145 HydrophobicContact CD1-CZ3 4.16Å | ||
| 113 | D | 37 | Very low | 34.8 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | trans | -55.5 | 90.6 | 178.5 | -149 | -14.1 | 0 | 0 | 0 | 110.2 | P111 S115 | P111-D113 PolarHBondContact O-N 2.92Å; D113-S115 PolarHBondContact O-N 3.3Å; D113-S115 VanDerWaalsContact OD1-CB 3.28Å; D113-S115 WeakPolarHBondContact OD1-CB 3.36Å; D113-S115 PolarHBondContact OD1-OG 3Å | ||
| 114 | C | 38.2 | Very low | 34.9 | Very low | 60 Ų | 60 | 128.4 Ų | 128.4 | 41% | 0.405 | 69% | 0.687 | S | S | . | * | trans | -87.6 | 18.4 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | I112 D116 | I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 3.17Å; I112-C114 PolarHBondContact O-SG 3.34Å; I112-C114 VanDerWaalsContact O-SG 3.4Å; C114-D116 VanDerWaalsContact C-N 3.34Å | ||
| 115 | S | 37.9 | Very low | 35.3 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -3 | -174.9 | -46 | 0 | 0 | 0 | 0 | 113.8 | D113 | D113-S115 PolarHBondContact O-N 3.3Å; D113-S115 VanDerWaalsContact OD1-CB 3.28Å; D113-S115 WeakPolarHBondContact OD1-CB 3.36Å; D113-S115 PolarHBondContact OD1-OG 3Å |
| 116 | D | 35.7 | Very low | 35.3 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 23.5 | -174.1 | -107.8 | -31 | 0 | 0 | 0 | 113.8 | C114 D118 | C114-D116 VanDerWaalsContact C-N 3.34Å; D116-D118 PolarHBondContact O-N 3.48Å |
| 117 | A | 38.1 | Very low | 35.5 | Very low | 58 Ų | 58 | 125 Ų | 125 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | trans | -98.4 | 81.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L119 | A117-L119 HydrophobicContact CB-CD1 3.66Å; A117-L119 HydrophobicContact CB-CG 4.2Å; A117-L119 PolarHBondContact O-N 3.48Å | ||
| 118 | D | 34.4 | Very low | 35.7 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | trans | -64.3 | 73.3 | 170.7 | -152.5 | 0.1 | 0 | 0 | 0 | 109.4 | D116 | D116-D118 PolarHBondContact O-N 3.48Š| ||
| 119 | L | 39.1 | Very low | 35.8 | Very low | 75 Ų | 75 | 116.8 Ų | 116.8 | 39% | 0.393 | 66% | 0.664 | S | S | . | * | trans | -100.7 | 92.9 | -173.6 | -83.8 | 157.4 | 0 | 0 | 0 | 109.2 | F16 A117 F121 | F16-L119 HydrophobicContact CE1-CD2 4.19Å; F16-L119 HydrophobicContact CZ-CD2 4.26Å; A117-L119 HydrophobicContact CB-CD1 3.66Å; A117-L119 HydrophobicContact CB-CG 4.2Å; A117-L119 PolarHBondContact O-N 3.48Å; L119-F121 PolarHBondContact O-N 2.93Å | ||
| 120 | C | 39.1 | Very low | 36.4 | Very low | 80 Ų | 80 | 115.4 Ų | 115.4 | 54% | 0.541 | 67% | 0.665 | S | S | . | * | trans | 30.9 | 61.3 | 162.6 | -67.1 | 0 | 0 | 0 | 0 | 115.9 | C19 N122 | C19-C120 HydrophobicContact CB-CB 4.39Å; C19-C120 WeakPolarHBondContact CB-SG 3.23Å; C19-C120 WeakPolarHBondContact SG-CB 3.41Å; C19-C120 CovalentContact SG-SG 2.02Å; C19-C120 PolarHBondContact SG-SG 2.96Å; C120-N122 PolarHBondContact O-N 3.45Å | ||
| 121 | F | 37.6 | Very low | 36.6 | Very low | 180 Ų | 180 | 116 Ų | 116 | 79% | 0.789 | 67% | 0.669 | S | S | * | * | trans | -72.4 | 80.6 | 164.1 | -82.2 | -89 | 0 | 0 | 0 | 108.9 | L119 E123 | L119-F121 PolarHBondContact O-N 2.93Å; F121-E123 PolarHBondContact O-N 3.02Å | ||
| 122 | N | 36.8 | Very low | 37.1 | Very low | 105 Ų | 105 | 114.5 Ų | 114.5 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | trans | -87 | 97.8 | 159 | -119.5 | -35.9 | 0 | 0 | 0 | 106.9 | C120 N124 | C120-N122 PolarHBondContact O-N 3.45Å; N122-N124 PolarHBondContact O-N 3.26Å | ||
| 123 | E | 39.9 | Very low | 37.7 | Very low | 181 Ų | 181 | 114.6 Ų | 114.6 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 25.8 | -169 | -143.5 | -178.1 | 136.7 | 0 | 0 | 114.4 | F121 | F121-E123 PolarHBondContact O-N 3.02Š|
| 124 | N | 35.3 | Very low | 38.3 | Very low | 112 Ų | 112 | 114.8 Ų | 114.8 | 60% | 0.599 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 12.6 | -171.1 | -104.3 | 0.8 | 0 | 0 | 0 | 116 | E26 N122 | E26-N124 PolarHBondContact OE1-ND2 3.41Å; N122-N124 PolarHBondContact O-N 3.26Å |
| 125 | V | 35.9 | Very low | 38.9 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | trans | -128.9 | 80.7 | 169.1 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | G127 | V125-G127 PolarHBondContact O-N 3.09Š| ||
| 126 | F | 32.3 | Very low | 39.8 | Very low | 226 Ų | 226 | 117 Ų | 117 | 99% | 0.991 | 65% | 0.653 | S | S | * | * | trans | -60.6 | 84.8 | 161.5 | -146.1 | -93.2 | 0 | 0 | 0 | 108.4 | ||||
| 127 | G | 30.3 | Very low | 40.6 | Very low | 41 Ų | 41 | 113.1 Ų | 113.1 | 42% | 0.423 | 64% | 0.638 | S | S | . | * | S | Bend | trans | 178.5 | 79.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V125 A129 | V125-G127 PolarHBondContact O-N 3.09Å; G127-A129 PolarHBondContact O-N 3.32Å |
| 128 | S | 35.3 | Very low | 41.1 | Very low | 135 Ų | 135 | 112.4 Ų | 112.4 | 94% | 0.944 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 61.6 | 17 | 146.8 | -61.4 | 0 | 0 | 0 | 0 | 120.8 | ||
| 129 | A | 36.6 | Very low | 42.1 | Very low | 70 Ų | 70 | 107.8 Ų | 107.8 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | trans | -118.9 | -6.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G127 | G127-A129 PolarHBondContact O-N 3.32Š| ||
| 130 | S | 41.1 | Very low | 43 | Very low | 99 Ų | 99 | 107.1 Ų | 107.1 | 69% | 0.692 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -92 | -10.8 | -166 | 61.4 | 0 | 0 | 0 | 0 | 116.6 | ||
| 131 | N | 40.8 | Very low | 43.8 | Very low | 123 Ų | 123 | 108 Ų | 108 | 66% | 0.658 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -89.1 | -22.5 | 179.3 | -72.7 | -53.3 | 0 | 0 | 0 | 113.6 | L135 | N131-L135 WeakPolarHBondContact O-CB 3.22Å; N131-L135 WeakPolarHBondContact O-CD1 3.28Å; N131-L135 WeakPolarHBondContact O-CG 3.38Å; N131-L135 PolarHBondContact O-N 3.26Å |
| 132 | T | 43.1 | Very low | 44.7 | Very low | 95 Ų | 95 | 105.7 Ų | 105.7 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.4 | -38.5 | -171.3 | -1.5 | 0 | 0 | 0 | 0 | 112.8 | L136 | T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 PolarHBondContact O-N 3.31Å |
| 133 | N | 46.3 | Very low | 45.8 | Very low | 97 Ų | 97 | 106.4 Ų | 106.4 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -76.4 | -32.6 | 179.5 | -78.5 | -42.2 | 0 | 0 | 0 | 113 | L136 S137 | N133-L136 PolarHBondContact O-N 3.4Å; N133-S137 PolarHBondContact O-N 3.11Å; N133-S137 VanDerWaalsContact O-N 3.09Å |
| 134 | F | 49.9 | Very low | 46.5 | Very low | 127 Ų | 127 | 104.6 Ų | 104.6 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.9 | -42.3 | 175.8 | -167.2 | -98.7 | 0 | 0 | 0 | 111.5 | C138 | F134-C138 PolarHBondContact O-N 3.46Å |
| 135 | L | 51.7 | Low | 47.1 | Very low | 109 Ų | 109 | 109.5 Ų | 109.5 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.1 | -39.2 | 171.7 | -76.2 | 165.2 | 0 | 0 | 0 | 111.7 | N131 S137 T139 | N131-L135 WeakPolarHBondContact O-CB 3.22Å; N131-L135 WeakPolarHBondContact O-CD1 3.28Å; N131-L135 WeakPolarHBondContact O-CG 3.38Å; N131-L135 PolarHBondContact O-N 3.26Å; L135-S137 PolarHBondContact O-N 3.27Å; L135-T139 VanDerWaalsContact O-CB 3.23Å; L135-T139 WeakPolarHBondContact O-CB 3.3Å; L135-T139 PolarHBondContact O-N 3.25Å; L135-T139 PolarHBondContact O-OG1 3.36Å |
| 136 | L | 56.1 | Low | 47.7 | Very low | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.5 | -40.3 | -179 | -144.5 | 74.4 | 0 | 0 | 0 | 112.6 | T132 N133 F140 | T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 PolarHBondContact O-N 3.31Å; N133-L136 PolarHBondContact O-N 3.4Å; L136-F140 WeakPolarHBondContact O-CB 3.29Å; L136-F140 PolarHBondContact O-N 3.16Å |
| 137 | S | 52.6 | Low | 48.5 | Very low | 73 Ų | 73 | 102.5 Ų | 102.5 | 51% | 0.51 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.9 | -44.4 | 178.8 | -170 | 0 | 0 | 0 | 0 | 112.4 | N133 L135 F140 L141 | N133-S137 PolarHBondContact O-N 3.11Å; N133-S137 VanDerWaalsContact O-N 3.09Å; L135-S137 PolarHBondContact O-N 3.27Å; S137-F140 PolarHBondContact O-N 3.14Å; S137-L141 PolarHBondContact O-N 3.45Å |
| 138 | C | 48.4 | Very low | 49.5 | Very low | 43 Ų | 43 | 105.9 Ų | 105.9 | 29% | 0.291 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.5 | -35.7 | 175.7 | -86 | 0 | 0 | 0 | 0 | 112.6 | F134 L142 | F134-C138 PolarHBondContact O-N 3.46Å; C138-L142 WeakPolarHBondContact O-CG 3.49Å; C138-L142 PolarHBondContact O-N 3.38Å |
| 139 | T | 56.9 | Low | 50.4 | Low | 66 Ų | 66 | 104.2 Ų | 104.2 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -33.8 | 177.7 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | L135 L142 I143 | L135-T139 VanDerWaalsContact O-CB 3.23Å; L135-T139 WeakPolarHBondContact O-CB 3.3Å; L135-T139 PolarHBondContact O-N 3.25Å; L135-T139 PolarHBondContact O-OG1 3.36Å; T139-L142 PolarHBondContact O-N 2.86Å; T139-I143 HydrophobicContact CG2-CD1 3.89Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 VanDerWaalsContact O-CG1 3.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 3.5Å; T139-I143 VanDerWaalsContact O-N 3.09Å |
| 140 | F | 57.3 | Low | 51.2 | Low | 61 Ų | 61 | 106.4 Ų | 106.4 | 27% | 0.268 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.7 | -38.9 | 175.5 | -112.8 | -92.9 | 0 | 0 | 0 | 112.9 | N8 L136 S137 L142 I143 F144 | N8-F140 HydrophobicContact CB-CE1 4.16Å; N8-F140 VanDerWaalsContact OD1-CE1 3.29Å; N8-F140 WeakPolarHBondContact OD1-CE1 3.49Å; N8-F140 VanDerWaalsContact OD1-CZ 3.22Å; N8-F140 WeakPolarHBondContact OD1-CZ 3.29Å; L136-F140 WeakPolarHBondContact O-CB 3.29Å; L136-F140 PolarHBondContact O-N 3.16Å; S137-F140 PolarHBondContact O-N 3.14Å; F140-L142 VanDerWaalsContact C-N 3.33Å; F140-I143 PolarHBondContact O-N 3.49Å; F140-F144 HydrophobicContact CD1-CD2 4.01Å; F140-F144 AromaticContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CE1-CD2 4.36Å; F140-F144 AromaticContact CE1-CE2 3.77Å; F140-F144 HydrophobicContact CE1-CE2 3.77Å; F140-F144 PolarHBondContact O-N 3.41Å |
| 141 | L | 55.6 | Low | 51.9 | Low | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 174.9 | -87.2 | 161.2 | 0 | 0 | 0 | 112.6 | S137 | S137-L141 PolarHBondContact O-N 3.45Å |
| 142 | L | 57.2 | Low | 52.7 | Low | 132 Ų | 132 | 105.7 Ų | 105.7 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -77.6 | -21.9 | 176.8 | -73.1 | 171.6 | 0 | 0 | 0 | 114.2 | C138 T139 F140 | C138-L142 WeakPolarHBondContact O-CG 3.49Å; C138-L142 PolarHBondContact O-N 3.38Å; T139-L142 PolarHBondContact O-N 2.86Å; F140-L142 VanDerWaalsContact C-N 3.33Å |
| 143 | I | 59.6 | Low | 53.4 | Low | 120 Ų | 120 | 106.5 Ų | 106.5 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -84.6 | -25.3 | 178.4 | -71.3 | 166.4 | 0 | 0 | 0 | 111.9 | T139 F140 | T139-I143 HydrophobicContact CG2-CD1 3.89Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 VanDerWaalsContact O-CG1 3.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 3.5Å; T139-I143 VanDerWaalsContact O-N 3.09Å; F140-I143 PolarHBondContact O-N 3.49Å |
| 144 | F | 54.1 | Low | 54 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 63% | 0.627 | 53% | 0.532 | S | S | * | . | trans | -100 | 2.7 | -176.8 | -86.8 | -84.1 | 0 | 0 | 0 | 114.7 | F140 | F140-F144 HydrophobicContact CD1-CD2 4.01Å; F140-F144 AromaticContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CE1-CD2 4.36Å; F140-F144 AromaticContact CE1-CE2 3.77Å; F140-F144 HydrophobicContact CE1-CE2 3.77Å; F140-F144 PolarHBondContact O-N 3.41Å | ||
| 145 | W | 49.1 | Very low | 54.4 | Low | 216 Ų | 216 | 105.5 Ų | 105.5 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | trans | -105.7 | 0 | 172.5 | -160 | 12.9 | 0 | 0 | 0 | 111.1 | I110 I112 | I110-W145 HydrophobicContact CB-CH2 4.46Å; I110-W145 HydrophobicContact CB-CZ3 4.44Å; I110-W145 HydrophobicContact CD1-CH2 3.47Å; I110-W145 VanDerWaalsContact CD1-CH2 3.47Å; I110-W145 HydrophobicContact CD1-CZ3 3.63Å; I110-W145 HydrophobicContact CG1-CH2 3.89Å; I110-W145 HydrophobicContact CG1-CZ3 4.23Å; I110-W145 HydrophobicContact CG2-CH2 3.88Å; I110-W145 HydrophobicContact CG2-CZ3 3.87Å; I112-W145 HydrophobicContact CD1-CZ3 4.16Å |
Retrieved 145 of 145 residues in 41.3 ms
(Link to these results)