| 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 | 40.1 | Very low | 41.1 | Very low | 231 Ų | 231 | 162.3 Ų | 162.3 | 100% | 1.138 | 81% | 0.81 | S | S | * | * | 0 | 104.1 | 0 | -71.5 | 171.6 | -179.7 | 0 | 0 | 108.6 | |||||
| 2 | R | 38 | Very low | 41.6 | Very low | 244 Ų | 244 | 154 Ų | 154 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -119.2 | 105.8 | 174.6 | -79.2 | -175.9 | 177.6 | -178.3 | 0.4 | 107.3 | I4 | R2-I4 PolarHBondContact O-N 2.88Š| ||
| 3 | Y | 40.6 | Very low | 42 | Very low | 215 Ų | 215 | 150.5 Ų | 150.5 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 116.8 | 170.1 | -77.7 | -88.4 | 0 | 0 | 0 | 108.4 | ||||
| 4 | I | 42.3 | Very low | 42 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -83.4 | 107.7 | 165.3 | -62 | 169 | 0 | 0 | 0 | 105.2 | R2 | R2-I4 PolarHBondContact O-N 2.88Š| ||
| 5 | L | 37.4 | Very low | 42.4 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | trans | -78.4 | 134.7 | 170.5 | -128.9 | 98.8 | 0 | 0 | 0 | 108.5 | ||||
| 6 | P | 39.7 | Very low | 42.8 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 60% | 0.597 | 73% | 0.727 | S | S | * | * | trans | -72.1 | 139 | -175.9 | 0.4 | 14.4 | 0 | 0 | 0 | 111 | S8 | P6-S8 PolarHBondContact O-N 2.97Š| ||
| 7 | S | 41.7 | Very low | 43.4 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -69.4 | 27.8 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 115 | ||
| 8 | S | 45 | Very low | 43.8 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | trans | -103.1 | 8.2 | -166.5 | 57.8 | 0 | 0 | 0 | 0 | 115.8 | P6 | P6-S8 PolarHBondContact O-N 2.97Š| ||
| 9 | F | 41 | Very low | 44.1 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | -110.7 | 6.7 | 179.5 | -88.9 | -78.7 | 0 | 0 | 0 | 115.6 | I11 | F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 PolarHBondContact O-N 3.1Å; F9-I11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | L | 40.9 | Very low | 44.3 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 81% | 0.806 | 67% | 0.666 | S | S | * | * | trans | -86.7 | 67.4 | 171.2 | -66.9 | 168.9 | 0 | 0 | 0 | 109.7 | P12 | L10-P12 VanDerWaalsContact O-CD 3.3Å; L10-P12 WeakPolarHBondContact O-CD 3.36Å; L10-P12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | I | 45.6 | Very low | 44.5 | Very low | 138 Ų | 138 | 124.3 Ų | 124.3 | 71% | 0.708 | 65% | 0.648 | S | S | * | * | trans | -58.5 | 117.8 | 150.3 | -62.4 | 176.1 | 0 | 0 | 0 | 103.8 | F9 T13 | F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 PolarHBondContact O-N 3.1Å; F9-I11 VanDerWaalsContact O-N 3.11Å; I11-T13 PolarHBondContact O-N 3.27Å | ||
| 12 | P | 47 | Very low | 44.7 | Very low | 63 Ų | 63 | 121.2 Ų | 121.2 | 41% | 0.409 | 63% | 0.628 | S | S | . | * | trans | -56.3 | 117.5 | -171.6 | -20.9 | 30 | 0 | 0 | 0 | 107.3 | L10 C14 L15 | L10-P12 VanDerWaalsContact O-CD 3.3Å; L10-P12 WeakPolarHBondContact O-CD 3.36Å; L10-P12 VanDerWaalsContact O-N 3.14Å; P12-C14 HydrophobicContact CB-CB 4.03Å; P12-C14 CarbonylContact O-C 3.57Å; P12-C14 PolarHBondContact O-N 3.43Å; P12-L15 HydrophobicContact CB-CB 4.47Å; P12-L15 HydrophobicContact CG-CD1 4Å; P12-L15 WeakPolarHBondContact O-CB 2.99Å; P12-L15 PolarHBondContact O-N 3Å | ||
| 13 | T | 46.1 | Very low | 45 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -49.4 | -28.6 | 167.3 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | I11 L15 L16 V17 | I11-T13 PolarHBondContact O-N 3.27Å; T13-L15 PolarHBondContact O-N 2.84Å; T13-L16 PolarHBondContact O-N 3.01Å; T13-V17 WeakPolarHBondContact O-CB 3.3Å; T13-V17 WeakPolarHBondContact O-CG2 3.29Å; T13-V17 PolarHBondContact O-N 3.03Å |
| 14 | C | 43.1 | Very low | 45.3 | Very low | 81 Ų | 81 | 114 Ų | 114 | 55% | 0.547 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -53.7 | -42.6 | 166.7 | -68.9 | 0 | 0 | 0 | 0 | 115 | P12 V17 I18 | P12-C14 HydrophobicContact CB-CB 4.03Å; P12-C14 CarbonylContact O-C 3.57Å; P12-C14 PolarHBondContact O-N 3.43Å; C14-V17 PolarHBondContact O-N 3.09Å; C14-I18 VanDerWaalsContact O-CB 3.28Å; C14-I18 WeakPolarHBondContact O-CB 3.23Å; C14-I18 VanDerWaalsContact O-CD1 3.29Å; C14-I18 WeakPolarHBondContact O-CD1 3.37Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 3.21Å |
| 15 | L | 47.3 | Very low | 45.5 | Very low | 96 Ų | 96 | 108.3 Ų | 108.3 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.4 | -39.7 | 179.1 | -94.9 | 164.2 | 0 | 0 | 0 | 111.5 | P12 T13 I18 L19 | P12-L15 HydrophobicContact CB-CB 4.47Å; P12-L15 HydrophobicContact CG-CD1 4Å; P12-L15 WeakPolarHBondContact O-CB 2.99Å; P12-L15 PolarHBondContact O-N 3Å; T13-L15 PolarHBondContact O-N 2.84Å; L15-I18 PolarHBondContact O-N 2.87Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 3.22Å |
| 16 | L | 49.6 | Very low | 46.3 | Very low | 114 Ų | 114 | 103.2 Ų | 103.2 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.7 | -42.6 | 175.3 | -155.7 | 94.9 | 0 | 0 | 0 | 111.1 | T13 L19 L20 | T13-L16 PolarHBondContact O-N 3.01Å; L16-L19 PolarHBondContact O-N 2.99Å; L16-L20 HydrophobicContact CD2-CD1 3.93Å; L16-L20 HydrophobicContact CG-CD1 4.11Å; L16-L20 WeakPolarHBondContact O-CB 3.33Å; L16-L20 WeakPolarHBondContact O-CD1 3.41Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 2.88Å |
| 17 | V | 51.6 | Low | 47.1 | Very low | 48 Ų | 48 | 103 Ų | 103 | 29% | 0.291 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111 | T13 C14 L20 T21 V291 | T13-V17 WeakPolarHBondContact O-CB 3.3Å; T13-V17 WeakPolarHBondContact O-CG2 3.29Å; T13-V17 PolarHBondContact O-N 3.03Å; C14-V17 PolarHBondContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 2.7Å; V17-T21 HydrophobicContact CG1-CG2 4.14Å; V17-T21 VanDerWaalsContact O-CB 3.27Å; V17-T21 WeakPolarHBondContact O-CB 3.23Å; V17-T21 WeakPolarHBondContact O-CG2 3.35Å; V17-T21 PolarHBondContact O-N 3.4Å; V17-T21 PolarHBondContact O-OG1 2.98Å; V17-V291 HydrophobicContact CG1-CG1 4.2Å; V17-V291 HydrophobicContact CG1-CG2 4.28Å; V17-V291 HydrophobicContact CG2-CG1 4.48Å |
| 18 | I | 51.4 | Low | 48.3 | Very low | 84 Ų | 84 | 99.4 Ų | 99.4 | 43% | 0.431 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 175.8 | -69.3 | 162.5 | 0 | 0 | 0 | 111.2 | C14 L15 T21 K22 | C14-I18 VanDerWaalsContact O-CB 3.28Å; C14-I18 WeakPolarHBondContact O-CB 3.23Å; C14-I18 VanDerWaalsContact O-CD1 3.29Å; C14-I18 WeakPolarHBondContact O-CD1 3.37Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 3.21Å; L15-I18 PolarHBondContact O-N 2.87Å; I18-T21 VanDerWaalsContact CA-OG1 3.28Å; I18-T21 WeakPolarHBondContact CA-OG1 3.24Å; I18-T21 PolarHBondContact O-OG1 3.29Å; I18-T21 VanDerWaalsContact O-OG1 3.11Å; I18-K22 HydrophobicContact CG2-CD 4.37Å; I18-K22 WeakPolarHBondContact O-CB 3.24Å; I18-K22 WeakPolarHBondContact O-CG 3.28Å; I18-K22 PolarHBondContact O-N 3.47Å |
| 19 | L | 49.3 | Very low | 49.6 | Very low | 102 Ų | 102 | 97.3 Ų | 97.3 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 173.5 | -105 | 132.7 | 0 | 0 | 0 | 111.5 | L15 L16 K22 F23 | L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 3.22Å; L16-L19 PolarHBondContact O-N 2.99Å; L19-K22 PolarHBondContact O-N 2.86Å; L19-F23 HydrophobicContact CD2-CE2 4.33Å; L19-F23 WeakPolarHBondContact O-CD2 2.91Å; L19-F23 PolarHBondContact O-N 2.91Å; L19-F23 VanDerWaalsContact O-N 3.11Å |
| 20 | L | 48.7 | Very low | 51.5 | Low | 83 Ų | 83 | 88.2 Ų | 88.2 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 178.8 | -68.8 | 165.5 | 0 | 0 | 0 | 111 | L16 V17 K22 F23 F24 | L16-L20 HydrophobicContact CD2-CD1 3.93Å; L16-L20 HydrophobicContact CG-CD1 4.11Å; L16-L20 WeakPolarHBondContact O-CB 3.33Å; L16-L20 WeakPolarHBondContact O-CD1 3.41Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 2.88Å; V17-L20 PolarHBondContact O-N 2.7Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 2.8Å; L20-F23 PolarHBondContact O-N 2.87Å; L20-F24 HydrophobicContact CB-CD2 4.29Å; L20-F24 HydrophobicContact CD2-CD2 4.38Å; L20-F24 HydrophobicContact CD2-CE2 3.84Å; L20-F24 WeakPolarHBondContact O-CB 3.32Å; L20-F24 WeakPolarHBondContact O-CD2 3.26Å; L20-F24 PolarHBondContact O-N 3.47Å |
| 21 | T | 47.3 | Very low | 53.2 | Low | 47 Ų | 47 | 85 Ų | 85 | 29% | 0.288 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 178.4 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | V17 I18 | V17-T21 HydrophobicContact CG1-CG2 4.14Å; V17-T21 VanDerWaalsContact O-CB 3.27Å; V17-T21 WeakPolarHBondContact O-CB 3.23Å; V17-T21 WeakPolarHBondContact O-CG2 3.35Å; V17-T21 PolarHBondContact O-N 3.4Å; V17-T21 PolarHBondContact O-OG1 2.98Å; I18-T21 VanDerWaalsContact CA-OG1 3.28Å; I18-T21 WeakPolarHBondContact CA-OG1 3.24Å; I18-T21 PolarHBondContact O-OG1 3.29Å; I18-T21 VanDerWaalsContact O-OG1 3.11Å |
| 22 | K | 45.1 | Very low | 54.4 | Low | 166 Ų | 166 | 80.7 Ų | 80.7 | 72% | 0.722 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.9 | -31 | 171.9 | -80.6 | -179.1 | 173.1 | -179.8 | 0 | 112.9 | I18 L19 L20 | I18-K22 HydrophobicContact CG2-CD 4.37Å; I18-K22 WeakPolarHBondContact O-CB 3.24Å; I18-K22 WeakPolarHBondContact O-CG 3.28Å; I18-K22 PolarHBondContact O-N 3.47Å; L19-K22 PolarHBondContact O-N 2.86Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 2.8Å |
| 23 | F | 45.1 | Very low | 55.7 | Low | 173 Ų | 173 | 78 Ų | 78 | 76% | 0.759 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -82.2 | -27.1 | 179.3 | -96.9 | -86.5 | 0 | 0 | 0 | 114 | L19 L20 | L19-F23 HydrophobicContact CD2-CE2 4.33Å; L19-F23 WeakPolarHBondContact O-CD2 2.91Å; L19-F23 PolarHBondContact O-N 2.91Å; L19-F23 VanDerWaalsContact O-N 3.11Å; L20-F23 PolarHBondContact O-N 2.87Å |
| 24 | F | 45.1 | Very low | 56.5 | Low | 135 Ų | 135 | 77.8 Ų | 77.8 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -92.8 | -9.8 | -168.7 | -86.5 | -76.4 | 0 | 0 | 0 | 116.9 | L20 | L20-F24 HydrophobicContact CB-CD2 4.29Å; L20-F24 HydrophobicContact CD2-CD2 4.38Å; L20-F24 HydrophobicContact CD2-CE2 3.84Å; L20-F24 WeakPolarHBondContact O-CB 3.32Å; L20-F24 WeakPolarHBondContact O-CD2 3.26Å; L20-F24 PolarHBondContact O-N 3.47Å |
| 25 | N | 47.5 | Very low | 57.2 | Low | 39 Ų | 39 | 80.8 Ų | 80.8 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | trans | -122.1 | 32.7 | -159.7 | -77.8 | -25.3 | 0 | 0 | 0 | 118.4 | M280 Y283 L287 | N25-M280 VanDerWaalsContact O-CE 3.24Å; N25-M280 WeakPolarHBondContact O-CE 3.5Å; N25-Y283 WeakPolarHBondContact OD1-CB 3.47Å; N25-Y283 WeakPolarHBondContact OD1-CD2 3.26Å; N25-L287 WeakPolarHBondContact ND2-CD1 3.3Å | ||
| 26 | C | 54 | Low | 58 | Low | 46 Ų | 46 | 76.9 Ų | 76.9 | 31% | 0.311 | 38% | 0.384 | S | S | . | . | trans | -116.7 | 53.2 | 173.2 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | M268 | C26-M268 VanDerWaalsContact C-SD 3.59Å; C26-M268 HydrophobicContact CB-CB 3.88Å; C26-M268 HydrophobicContact CB-CE 4.3Å; C26-M268 HydrophobicContact CB-CG 4.44Å; C26-M268 HydrophobicContact CB-SD 3.53Å; C26-M268 VanDerWaalsContact CB-SD 3.53Å; C26-M268 VanDerWaalsContact SG-CB 3.5Å | ||
| 27 | Q | 56.8 | Low | 59 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | trans | -108.5 | 117.7 | -178.5 | -71.1 | -175.6 | -16 | 0 | 0 | 110.8 | L192 | Q27-L192 HydrophobicContact CB-CD1 3.46Å; Q27-L192 VanDerWaalsContact CB-CD1 3.46Å; Q27-L192 HydrophobicContact CB-CD2 4.36Å; Q27-L192 HydrophobicContact CB-CG 3.74Å; Q27-L192 HydrophobicContact CG-CD1 4.38Å; Q27-L192 HydrophobicContact CG-CG 4.41Å | ||
| 28 | F | 66.2 | Low | 60.5 | Low | 42 Ų | 42 | 79.3 Ų | 79.3 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | trans | -80.8 | 146.6 | 176 | -67.9 | -83.7 | 0 | 0 | 0 | 110.8 | Y189 C191 L192 M268 | F28-Y189 HydrophobicContact CB-CE1 4.35Å; F28-Y189 AromaticContact CD2-CE1 3.9Å; F28-Y189 HydrophobicContact CD2-CE1 3.9Å; F28-Y189 AromaticContact CD2-CZ 3.84Å; F28-Y189 WeakPolarHBondContact CD2-OH 3.47Å; F28-Y189 WeakPolarHBondContact CE2-OH 3.3Å; F28-Y189 HydrophobicContact CG-CE1 4.37Å; F28-C191 HydrophobicContact CB-CB 4.38Å; F28-C191 CarbonylContact O-C 3.59Å; F28-C191 WeakPolarHBondContact O-CA 3.47Å; F28-C191 VanDerWaalsContact O-CB 3.27Å; F28-C191 WeakPolarHBondContact O-CB 3.36Å; F28-L192 PolarHBondContact O-N 3.19Å; F28-M268 HydrophobicContact CD1-CE 3.82Å; F28-M268 HydrophobicContact CD1-SD 4.42Å; F28-M268 HydrophobicContact CD2-CE 3.79Å; F28-M268 HydrophobicContact CD2-SD 3.61Å; F28-M268 HydrophobicContact CE1-CE 3.66Å; F28-M268 HydrophobicContact CE1-CG 4.19Å; F28-M268 HydrophobicContact CE1-SD 3.92Å; F28-M268 HydrophobicContact CE2-CE 3.67Å; F28-M268 HydrophobicContact CE2-CG 3.88Å; F28-M268 HydrophobicContact CE2-SD 3Å; F28-M268 WeakPolarHBondContact CE2-SD 3.47Å; F28-M268 HydrophobicContact CG-CE 3.89Å; F28-M268 HydrophobicContact CG-SD 4.3Å; F28-M268 HydrophobicContact CZ-CE 3.6Å; F28-M268 HydrophobicContact CZ-CG 3.47Å; F28-M268 VanDerWaalsContact CZ-CG 3.47Å; F28-M268 HydrophobicContact CZ-SD 3.19Å; F28-M268 WeakPolarHBondContact CZ-SD 3.1Å | ||
| 29 | T | 73.5 | Confident | 62.4 | Low | 42 Ų | 42 | 80.5 Ų | 80.5 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 144.9 | 162.8 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | D31 L192 | T29-D31 PolarHBondContact O-N 2.87Å; T29-L192 CarbonylContact C-O 3.59Å; T29-L192 WeakPolarHBondContact CA-O 3.16Å |
| 30 | C | 80.5 | Confident | 64.4 | Low | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -68 | -15.2 | -177.7 | -64.7 | 0 | 0 | 0 | 0 | 114.2 | H32 I33 K34 C191 L192 V199 E201 | C30-H32 PolarHBondContact O-N 2.7Å; C30-H32 VanDerWaalsContact O-N 3.13Å; C30-I33 PolarHBondContact O-N 3.21Å; C30-K34 PolarHBondContact O-N 3.48Å; C30-C191 WeakPolarHBondContact CA-SG 3.48Å; C30-C191 HydrophobicContact CB-CB 4.03Å; C30-C191 WeakPolarHBondContact CB-SG 3.19Å; C30-C191 WeakPolarHBondContact SG-CB 3.3Å; C30-C191 CovalentContact SG-SG 2.04Å; C30-C191 PolarHBondContact SG-SG 3.29Å; C30-L192 PolarHBondContact N-O 2.87Å; C30-L192 PolarHBondContact SG-O 3.24Å; C30-V199 WeakPolarHBondContact SG-CG2 3.37Å; C30-E201 HydrophobicContact CB-CG 3.88Å; C30-E201 VanDerWaalsContact SG-CG 3.58Å |
| 31 | D | 75.6 | Confident | 66.7 | Low | 86 Ų | 86 | 81.8 Ų | 81.8 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.4 | -177.8 | -68.3 | -21.2 | 0 | 0 | 0 | 113.2 | T29 I33 | T29-D31 PolarHBondContact O-N 2.87Å; D31-I33 VanDerWaalsContact C-N 3.3Å; D31-I33 PolarHBondContact O-N 2.99Å |
| 32 | H | 71.4 | Confident | 69.1 | Low | 49 Ų | 49 | 83.6 Ų | 83.6 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -72.9 | -20.5 | 177.2 | -75.9 | -98.4 | 0 | 0 | 0 | 114.1 | C30 V36 R260 K278 | C30-H32 PolarHBondContact O-N 2.7Å; C30-H32 VanDerWaalsContact O-N 3.13Å; H32-V36 WeakPolarHBondContact O-CG2 3.28Å; H32-R260 WeakPolarHBondContact O-CD 3.32Å; H32-K278 VanDerWaalsContact CE1-CB 3.47Å; H32-K278 WeakPolarHBondContact CE1-CB 3.25Å; H32-K278 WeakPolarHBondContact CE1-CD 3.36Å; H32-K278 WeakPolarHBondContact NE2-CD 3.24Å |
| 33 | I | 74.1 | Confident | 71.6 | Confident | 6 Ų | 6 | 78.4 Ų | 78.4 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -32 | -170.1 | -61.7 | 176.8 | 0 | 0 | 0 | 111.6 | C30 D31 N35 V36 Y189 E201 Y203 | C30-I33 PolarHBondContact O-N 3.21Å; D31-I33 VanDerWaalsContact C-N 3.3Å; D31-I33 PolarHBondContact O-N 2.99Å; I33-N35 PolarHBondContact O-N 2.83Å; I33-V36 PolarHBondContact O-N 2.88Å; I33-V36 VanDerWaalsContact O-N 3.11Å; I33-Y189 HydrophobicContact CD1-CD1 2.99Å; I33-Y189 HydrophobicContact CD1-CD2 3.82Å; I33-Y189 HydrophobicContact CD1-CE1 3.21Å; I33-Y189 HydrophobicContact CD1-CE2 3.99Å; I33-Y189 HydrophobicContact CD1-CG 3.3Å; I33-Y189 HydrophobicContact CG1-CD1 4.49Å; I33-E201 HydrophobicContact CG2-CB 4.36Å; I33-Y203 HydrophobicContact CG2-CD2 4.38Å |
| 34 | K | 63.5 | Low | 74.1 | Confident | 104 Ų | 104 | 73.7 Ų | 73.7 | 45% | 0.452 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.2 | -173.1 | -77.5 | -179.3 | 174.8 | -178.3 | 0 | 115.2 | C30 E201 | C30-K34 PolarHBondContact O-N 3.48Å; K34-E201 WeakPolarHBondContact CE-OE1 3.49Å; K34-E201 IonicContact NZ-OE1 3.84Å; K34-E201 PolarHBondContact NZ-OE1 2.56Å; K34-E201 VanDerWaalsContact NZ-OE1 3.14Å |
| 35 | N | 58 | Low | 76.5 | Confident | 143 Ų | 143 | 71.4 Ų | 71.4 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 8.7 | -176.3 | -63.6 | -22.9 | 0 | 0 | 0 | 114.1 | I33 K37 | I33-N35 PolarHBondContact O-N 2.83Å; N35-K37 VanDerWaalsContact C-N 3.27Å; N35-K37 PolarHBondContact O-N 3.21Å |
| 36 | V | 63.6 | Low | 78.8 | Confident | 15 Ų | 15 | 73.6 Ų | 73.6 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | trans | -80.9 | 79.1 | 179.3 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | H32 I33 Y203 M245 | H32-V36 WeakPolarHBondContact O-CG2 3.28Å; I33-V36 PolarHBondContact O-N 2.88Å; I33-V36 VanDerWaalsContact O-N 3.11Å; V36-Y203 HydrophobicContact CB-CE2 4.42Å; V36-Y203 HydrophobicContact CG1-CE2 3.97Å; V36-M245 HydrophobicContact CG1-CE 3.59Å; V36-M245 HydrophobicContact CG1-SD 4.33Å | ||
| 37 | K | 70.4 | Confident | 80.8 | Confident | 186 Ų | 186 | 74.7 Ų | 74.7 | 81% | 0.809 | 39% | 0.386 | S | S | * | . | trans | -116.2 | 85.2 | 168 | -68.8 | -174.4 | -178.6 | -179.5 | 0 | 107.9 | N35 | N35-K37 VanDerWaalsContact C-N 3.27Å; N35-K37 PolarHBondContact O-N 3.21Å | ||
| 38 | H | 82.9 | Confident | 82.7 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | trans | -87.1 | 122.3 | 166.2 | -176.3 | 80.8 | 0 | 0 | 0 | 108.1 | H53 D244 | H38-H53 WeakPolarHBondContact O-CA 3.39Å; H38-D244 IonicContact ND1-OD2 3.22Å | ||
| 39 | E | 91.2 | Very high | 84.3 | Confident | 109 Ų | 109 | 72 Ų | 72 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | trans | -146.2 | 112.6 | 175 | 174.8 | 177.3 | -155.2 | 0 | 0 | 107.6 | R49 D52 H53 | E39-R49 IonicContact OE1-CZ 3.99Å; E39-R49 IonicContact OE1-NH1 3.92Å; E39-R49 IonicContact OE1-NH2 3.87Å; E39-R49 PolarHBondContact OE1-NH2 3.47Å; E39-D52 WeakPolarHBondContact CA-O 3.25Å; E39-H53 IonicContact OE1-CE1 2.84Å | ||
| 40 | K | 93.1 | Very high | 85.4 | Confident | 129 Ų | 129 | 72.8 Ų | 72.8 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 111.1 | 173.6 | -179.2 | -178.4 | 179 | -177.8 | 0 | 108.6 | I42 S51 D52 | K40-I42 PolarHBondContact O-N 2.88Å; K40-S51 CarbonylContact O-C 3.6Å; K40-S51 VanDerWaalsContact O-CA 3.27Å; K40-S51 WeakPolarHBondContact O-CA 3.28Å; K40-S51 WeakPolarHBondContact O-CB 3.47Å; K40-D52 HydrophobicContact CB-CB 4.3Å; K40-D52 PolarHBondContact N-O 3.02Å; K40-D52 PolarHBondContact O-N 3.13Å |
| 41 | I | 96.2 | Very high | 86.2 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 43% | 0.426 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.5 | 172.5 | -57.5 | 176.6 | 0 | 0 | 0 | 107.7 | E44 | I41-E44 HydrophobicContact CG2-CB 3.86Å |
| 42 | I | 96.7 | Very high | 87.2 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 44% | 0.441 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -42 | 179.7 | -63.8 | 168.8 | 0 | 0 | 0 | 109.8 | K40 Y50 D52 F57 | K40-I42 PolarHBondContact O-N 2.88Å; I42-Y50 HydrophobicContact CB-CD1 3.71Å; I42-Y50 HydrophobicContact CB-CE1 4.3Å; I42-Y50 HydrophobicContact CD1-CD1 3.68Å; I42-Y50 HydrophobicContact CD1-CE1 3.42Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.42Å; I42-Y50 HydrophobicContact CG1-CD1 4.28Å; I42-Y50 HydrophobicContact CG1-CE1 4.45Å; I42-Y50 HydrophobicContact CG2-CD1 3.74Å; I42-Y50 HydrophobicContact CG2-CE1 4.18Å; I42-Y50 PolarHBondContact N-O 2.85Å; I42-D52 HydrophobicContact CD1-CB 4.06Å; I42-F57 HydrophobicContact CD1-CD1 4.43Å; I42-F57 HydrophobicContact CD1-CE1 4.32Å |
| 43 | S | 97.5 | Very high | 88.2 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 138.5 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | R49 Y50 | S43-R49 CarbonylContact O-C 3.55Å; S43-R49 WeakPolarHBondContact O-CA 3.32Å; S43-Y50 PolarHBondContact N-O 2.82Å; S43-Y50 PolarHBondContact O-N 2.81Å |
| 44 | E | 97.7 | Very high | 89 | Confident | 74 Ų | 74 | 67 Ų | 67 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 137.8 | 177.6 | -165.4 | -178.2 | 85.3 | 0 | 0 | 110.4 | I41 Y48 R49 K211 F212 | I41-E44 HydrophobicContact CG2-CB 3.86Å; E44-Y48 WeakPolarHBondContact CA-O 3.47Å; E44-R49 HydrophobicContact CB-CG 4.4Å; E44-R49 HydrophobicContact CG-CB 4.09Å; E44-R49 HydrophobicContact CG-CG 4.06Å; E44-R49 WeakPolarHBondContact OE2-CD 3.36Å; E44-R49 IonicContact OE2-CZ 2.9Å; E44-R49 IonicContact OE2-NE 2.54Å; E44-R49 IonicContact OE2-NH1 3.87Å; E44-R49 PolarHBondContact OE2-NH1 2.89Å; E44-R49 VanDerWaalsContact OE2-NH1 3.16Å; E44-K211 IonicContact OE1-NZ 2.79Å; E44-K211 PolarHBondContact OE1-NZ 2.86Å; E44-K211 WeakPolarHBondContact OE2-CE 3.39Å; E44-K211 IonicContact OE2-NZ 3.05Å; E44-K211 PolarHBondContact OE2-NZ 3.32Å; E44-F212 HydrophobicContact CG-CE2 4.4Å; E44-F212 HydrophobicContact CG-CZ 3.9Å |
| 45 | N | 96.4 | Very high | 90.3 | Very high | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | trans | -142.2 | -167.8 | 166.8 | 70.6 | 36.6 | 0 | 0 | 0 | 109.8 | T47 Y48 | N45-T47 VanDerWaalsContact C-N 3.28Å; N45-T47 PolarHBondContact O-N 2.81Å; N45-T47 PolarHBondContact OD1-N 2.81Å; N45-T47 PolarHBondContact OD1-OG1 3.44Å; N45-Y48 PolarHBondContact N-O 2.94Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.27Å; N45-Y48 PolarHBondContact OD1-N 2.89Å | ||
| 46 | A | 95 | Very high | 92.1 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 70% | 0.702 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -63.6 | -27.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L62 | A46-L62 WeakPolarHBondContact O-CD1 3.44Š|
| 47 | T | 96 | Very high | 93.7 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 43% | 0.429 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -122.2 | -2.5 | -174.1 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | N45 L62 | N45-T47 VanDerWaalsContact C-N 3.28Å; N45-T47 PolarHBondContact O-N 2.81Å; N45-T47 PolarHBondContact OD1-N 2.81Å; N45-T47 PolarHBondContact OD1-OG1 3.44Å; T47-L62 HydrophobicContact CG2-CB 4.43Å; T47-L62 HydrophobicContact CG2-CD1 4.4Å; T47-L62 PolarHBondContact O-N 3.07Å |
| 48 | Y | 97.8 | Very high | 95 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 26% | 0.255 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.8 | -173.6 | 177.6 | -99.8 | 0 | 0 | 0 | 111.9 | E44 N45 Y50 T59 I60 R61 | E44-Y48 WeakPolarHBondContact CA-O 3.47Å; N45-Y48 PolarHBondContact N-O 2.94Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.27Å; N45-Y48 PolarHBondContact OD1-N 2.89Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.49Å; Y48-T59 HydrophobicContact CD2-CG2 4.44Å; Y48-T59 HydrophobicContact CE2-CG2 3.56Å; Y48-I60 VanDerWaalsContact CA-O 3.31Å; Y48-I60 WeakPolarHBondContact CA-O 3.42Å; Y48-I60 WeakPolarHBondContact CD2-O 3.45Å; Y48-R61 HydrophobicContact CD2-CG 3.99Å; Y48-R61 HydrophobicContact CE2-CG 4.29Å |
| 49 | R | 98.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.038 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 140.4 | 167.2 | -179.5 | -178.5 | 161.4 | 143.4 | -7.2 | 111.2 | E39 S43 E44 S51 T59 I60 F212 | E39-R49 IonicContact OE1-CZ 3.99Å; E39-R49 IonicContact OE1-NH1 3.92Å; E39-R49 IonicContact OE1-NH2 3.87Å; E39-R49 PolarHBondContact OE1-NH2 3.47Å; S43-R49 CarbonylContact O-C 3.55Å; S43-R49 WeakPolarHBondContact O-CA 3.32Å; E44-R49 HydrophobicContact CB-CG 4.4Å; E44-R49 HydrophobicContact CG-CB 4.09Å; E44-R49 HydrophobicContact CG-CG 4.06Å; E44-R49 WeakPolarHBondContact OE2-CD 3.36Å; E44-R49 IonicContact OE2-CZ 2.9Å; E44-R49 IonicContact OE2-NE 2.54Å; E44-R49 IonicContact OE2-NH1 3.87Å; E44-R49 PolarHBondContact OE2-NH1 2.89Å; E44-R49 VanDerWaalsContact OE2-NH1 3.16Å; R49-S51 PolarHBondContact NE-OG 2.78Å; R49-S51 PolarHBondContact NH2-OG 2.86Å; R49-T59 CarbonylContact O-C 3.56Å; R49-T59 WeakPolarHBondContact O-CA 3.47Å; R49-I60 HydrophobicContact CB-CB 4.18Å; R49-I60 PolarHBondContact N-O 2.73Å; R49-I60 PolarHBondContact O-N 3.26Å; R49-F212 HydrophobicContact CB-CE1 4.36Å; R49-F212 HydrophobicContact CB-CE2 3.88Å; R49-F212 HydrophobicContact CB-CZ 3.73Å; R49-F212 HydrophobicContact CG-CE2 4.34Å |
| 50 | Y | 98.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.9 | 169.4 | -175.2 | -127.5 | 0 | 0 | 0 | 110 | I42 S43 Y48 F57 Q58 T59 | I42-Y50 HydrophobicContact CB-CD1 3.71Å; I42-Y50 HydrophobicContact CB-CE1 4.3Å; I42-Y50 HydrophobicContact CD1-CD1 3.68Å; I42-Y50 HydrophobicContact CD1-CE1 3.42Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.42Å; I42-Y50 HydrophobicContact CG1-CD1 4.28Å; I42-Y50 HydrophobicContact CG1-CE1 4.45Å; I42-Y50 HydrophobicContact CG2-CD1 3.74Å; I42-Y50 HydrophobicContact CG2-CE1 4.18Å; I42-Y50 PolarHBondContact N-O 2.85Å; S43-Y50 PolarHBondContact N-O 2.82Å; S43-Y50 PolarHBondContact O-N 2.81Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.49Å; Y50-F57 HydrophobicContact CE2-CB 3.76Å; Y50-F57 HydrophobicContact CE2-CD1 4.25Å; Y50-F57 HydrophobicContact CE2-CG 4.17Å; Y50-F57 AromaticContact CZ-CD1 3.88Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.44Å; Y50-F57 WeakPolarHBondContact OH-CG 3.34Å; Y50-Q58 WeakPolarHBondContact CA-O 3.32Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.27Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.34Å |
| 51 | S | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.6 | -179.3 | 41.8 | 0 | 0 | 0 | 0 | 113 | K40 R49 H53 F57 Q58 | K40-S51 CarbonylContact O-C 3.6Å; K40-S51 VanDerWaalsContact O-CA 3.27Å; K40-S51 WeakPolarHBondContact O-CA 3.28Å; K40-S51 WeakPolarHBondContact O-CB 3.47Å; R49-S51 PolarHBondContact NE-OG 2.78Å; R49-S51 PolarHBondContact NH2-OG 2.86Å; S51-H53 WeakPolarHBondContact CB-NE2 3.48Å; S51-H53 PolarHBondContact OG-NE2 3Å; S51-F57 CarbonylContact O-C 3.56Å; S51-F57 WeakPolarHBondContact O-CA 3.29Å; S51-Q58 PolarHBondContact N-O 3.36Å; S51-Q58 PolarHBondContact O-N 2.91Å |
| 52 | D | 94.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.2 | 170.6 | -179.7 | -1.7 | 0 | 0 | 0 | 109 | E39 K40 I42 Y54 F57 N224 K242 | E39-D52 WeakPolarHBondContact CA-O 3.25Å; K40-D52 HydrophobicContact CB-CB 4.3Å; K40-D52 PolarHBondContact N-O 3.02Å; K40-D52 PolarHBondContact O-N 3.13Å; I42-D52 HydrophobicContact CD1-CB 4.06Å; D52-Y54 WeakPolarHBondContact OD1-CA 3.34Å; D52-Y54 PolarHBondContact OD1-N 2.85Å; D52-F57 HydrophobicContact CB-CD1 3.89Å; D52-F57 HydrophobicContact CB-CE1 3.72Å; D52-N224 PolarHBondContact OD1-ND2 3.13Å; D52-K242 IonicContact OD1-NZ 3.05Å; D52-K242 PolarHBondContact OD1-NZ 3.2Å; D52-K242 IonicContact OD2-NZ 3.5Å; D52-K242 PolarHBondContact OD2-NZ 3.3Å |
| 53 | H | 93.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | trans | -113 | 32 | 175.7 | -62.7 | -90.8 | 0 | 0 | 0 | 111.4 | H38 E39 S51 E55 Y56 N204 I206 | H38-H53 WeakPolarHBondContact O-CA 3.39Å; E39-H53 IonicContact OE1-CE1 2.84Å; S51-H53 WeakPolarHBondContact CB-NE2 3.48Å; S51-H53 PolarHBondContact OG-NE2 3Å; H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 2.67Å; H53-Y56 CarbonylContact C-O 3.45Å; H53-Y56 WeakPolarHBondContact CA-O 3.48Å; H53-Y56 WeakPolarHBondContact CB-O 3.48Å; H53-Y56 PolarHBondContact N-O 3.36Å; H53-N204 PolarHBondContact O-ND2 3.28Å; H53-N204 PolarHBondContact O-OD1 2.59Å; H53-I206 HydrophobicContact CB-CD1 3.49Å; H53-I206 VanDerWaalsContact CB-CD1 3.49Å; H53-I206 HydrophobicContact CB-CG1 3.65Å; H53-I206 HydrophobicContact CB-CG2 4.2Å | ||
| 54 | Y | 90 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 69.9 | -72 | -179.7 | -166.8 | -100.5 | 0 | 0 | 0 | 113.6 | D52 N224 S227 C228 K242 M245 N258 | D52-Y54 WeakPolarHBondContact OD1-CA 3.34Å; D52-Y54 PolarHBondContact OD1-N 2.85Å; Y54-N224 WeakPolarHBondContact O-CB 3.19Å; Y54-N224 VanDerWaalsContact O-CG 3.31Å; Y54-N224 PolarHBondContact O-ND2 3.24Å; Y54-S227 PolarHBondContact O-OG 3.44Å; Y54-C228 PolarHBondContact OH-SG 2.94Å; Y54-K242 HydrophobicContact CD2-CD 4.18Å; Y54-K242 HydrophobicContact CE2-CD 4.34Å; Y54-M245 HydrophobicContact CD1-CE 3.31Å; Y54-M245 HydrophobicContact CD2-CB 4Å; Y54-M245 HydrophobicContact CD2-CE 3.82Å; Y54-M245 HydrophobicContact CD2-CG 4.17Å; Y54-M245 HydrophobicContact CE1-CE 3.48Å; Y54-M245 VanDerWaalsContact CE1-CE 3.48Å; Y54-M245 HydrophobicContact CE1-CG 3.99Å; Y54-M245 HydrophobicContact CE1-SD 4.41Å; Y54-M245 HydrophobicContact CE2-CB 3.5Å; Y54-M245 HydrophobicContact CE2-CE 3.97Å; Y54-M245 HydrophobicContact CE2-CG 3.49Å; Y54-M245 VanDerWaalsContact CE2-CG 3.49Å; Y54-M245 HydrophobicContact CG-CE 3.5Å; Y54-M245 WeakPolarHBondContact OH-CG 3.1Å; Y54-N258 WeakPolarHBondContact CE1-ND2 3.49Å; Y54-N258 PolarHBondContact OH-ND2 3.42Å |
| 55 | E | 92.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -82.7 | -22.1 | -177.9 | -50 | -64.8 | -159.9 | 0 | 0 | 114.3 | H53 Y92 Y203 N204 N224 S227 F229 D261 | H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 2.67Å; E55-Y92 HydrophobicContact CB-CD1 3.71Å; E55-Y92 HydrophobicContact CB-CE1 3.73Å; E55-Y92 HydrophobicContact CG-CD1 3.86Å; E55-Y92 HydrophobicContact CG-CE1 3.99Å; E55-Y203 HydrophobicContact CG-CE1 3.77Å; E55-Y203 WeakPolarHBondContact OE1-CE1 3.36Å; E55-Y203 VanDerWaalsContact OE1-CZ 3.29Å; E55-Y203 PolarHBondContact OE1-OH 2.8Å; E55-N204 WeakPolarHBondContact CB-OD1 3.47Å; E55-N204 HydrophobicContact CG-CB 4.01Å; E55-N224 PolarHBondContact O-N 2.88Å; E55-S227 WeakPolarHBondContact CA-OG 3.23Å; E55-S227 WeakPolarHBondContact OE2-CB 3.47Å; E55-S227 PolarHBondContact OE2-OG 2.76Å; E55-F229 HydrophobicContact CB-CE1 4.41Å; E55-F229 HydrophobicContact CG-CE1 4.45Å; E55-F229 WeakPolarHBondContact OE2-CD1 3.48Å; E55-F229 WeakPolarHBondContact OE2-CE1 3.37Å; E55-D261 WeakPolarHBondContact OE1-CB 3.28Å |
| 56 | Y | 95.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.5 | 175.3 | -74.2 | -103.3 | 0 | 0 | 0 | 110.1 | H53 Y92 M165 I185 I206 F221 E222 P223 | H53-Y56 CarbonylContact C-O 3.45Å; H53-Y56 WeakPolarHBondContact CA-O 3.48Å; H53-Y56 WeakPolarHBondContact CB-O 3.48Å; H53-Y56 PolarHBondContact N-O 3.36Å; Y56-Y92 HydrophobicContact CD2-CD1 4.36Å; Y56-Y92 HydrophobicContact CD2-CD2 4.45Å; Y56-Y92 AromaticContact CD2-CE1 3.98Å; Y56-Y92 HydrophobicContact CD2-CE1 3.98Å; Y56-Y92 HydrophobicContact CD2-CE2 4.09Å; Y56-Y92 AromaticContact CD2-CZ 3.87Å; Y56-Y92 AromaticContact CE2-CD1 3.98Å; Y56-Y92 HydrophobicContact CE2-CD1 3.98Å; Y56-Y92 AromaticContact CE2-CD2 3.55Å; Y56-Y92 HydrophobicContact CE2-CD2 3.55Å; Y56-Y92 AromaticContact CE2-CE1 3.96Å; Y56-Y92 HydrophobicContact CE2-CE1 3.96Å; Y56-Y92 AromaticContact CE2-CE2 3.54Å; Y56-Y92 HydrophobicContact CE2-CE2 3.54Å; Y56-Y92 AromaticContact CE2-CG 3.8Å; Y56-Y92 HydrophobicContact CE2-CG 3.8Å; Y56-Y92 AromaticContact CE2-CZ 3.78Å; Y56-Y92 PolarHBondContact OH-N 2.94Å; Y56-Y92 VanDerWaalsContact OH-N 3.13Å; Y56-M165 HydrophobicContact CD1-CE 4.21Å; Y56-M165 HydrophobicContact CE1-CE 3.54Å; Y56-I185 HydrophobicContact CD2-CD1 4.45Å; Y56-I185 HydrophobicContact CG-CD1 4.41Å; Y56-I206 HydrophobicContact CD2-CD1 4.38Å; Y56-I206 HydrophobicContact CG-CD1 4.32Å; Y56-F221 HydrophobicContact CD1-CB 3.89Å; Y56-F221 HydrophobicContact CE1-CB 4.49Å; Y56-E222 CarbonylContact C-O 3.52Å; Y56-E222 WeakPolarHBondContact CA-O 3.43Å; Y56-E222 WeakPolarHBondContact CB-O 3.37Å; Y56-E222 WeakPolarHBondContact CD1-O 3.33Å; Y56-P223 HydrophobicContact CD1-CB 4.5Å; Y56-P223 HydrophobicContact CD1-CG 4.26Å; Y56-P223 HydrophobicContact CE1-CB 4.16Å; Y56-P223 HydrophobicContact CE1-CG 3.64Å |
| 57 | F | 96.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 145 | 156.6 | -62.4 | -72.7 | 0 | 0 | 0 | 109.7 | I42 Y50 S51 D52 F221 E222 N224 | I42-F57 HydrophobicContact CD1-CD1 4.43Å; I42-F57 HydrophobicContact CD1-CE1 4.32Å; Y50-F57 HydrophobicContact CE2-CB 3.76Å; Y50-F57 HydrophobicContact CE2-CD1 4.25Å; Y50-F57 HydrophobicContact CE2-CG 4.17Å; Y50-F57 AromaticContact CZ-CD1 3.88Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.44Å; Y50-F57 WeakPolarHBondContact OH-CG 3.34Å; S51-F57 CarbonylContact O-C 3.56Å; S51-F57 WeakPolarHBondContact O-CA 3.29Å; D52-F57 HydrophobicContact CB-CD1 3.89Å; D52-F57 HydrophobicContact CB-CE1 3.72Å; F57-F221 WeakPolarHBondContact O-CA 2.81Å; F57-E222 PolarHBondContact N-O 2.99Å; F57-E222 PolarHBondContact O-N 3.33Å; F57-N224 HydrophobicContact CD2-CB 4.26Å; F57-N224 HydrophobicContact CE2-CB 3.99Å; F57-N224 VanDerWaalsContact CE2-CG 3.42Å; F57-N224 WeakPolarHBondContact CE2-OD1 2.96Å; F57-N224 HydrophobicContact CZ-CB 4.48Å; F57-N224 WeakPolarHBondContact CZ-ND2 2.91Å; F57-N224 WeakPolarHBondContact CZ-OD1 3.19Å |
| 58 | Q | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.5 | 171.6 | -176.9 | -175.8 | 73.9 | 0 | 0 | 109 | Y50 S51 I60 I206 Q207 V219 E220 F221 | Y50-Q58 WeakPolarHBondContact CA-O 3.32Å; S51-Q58 PolarHBondContact N-O 3.36Å; S51-Q58 PolarHBondContact O-N 2.91Å; Q58-I60 HydrophobicContact CG-CD1 4.41Å; Q58-I60 HydrophobicContact CG-CG1 4.05Å; Q58-I206 HydrophobicContact CB-CG2 4.46Å; Q58-Q207 PolarHBondContact NE2-O 2.93Å; Q58-V219 HydrophobicContact CG-CG1 3.98Å; Q58-E220 CarbonylContact C-O 3.58Å; Q58-E220 WeakPolarHBondContact CA-O 3.33Å; Q58-F221 HydrophobicContact CB-CD1 4.39Å; Q58-F221 HydrophobicContact CB-CE1 4.4Å; Q58-F221 HydrophobicContact CG-CD1 4.36Å; Q58-F221 HydrophobicContact CG-CE1 4.04Å |
| 59 | T | 98.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.9 | 169.5 | -49.3 | 0 | 0 | 0 | 0 | 109.5 | Y48 R49 Y50 R61 V219 E220 | Y48-T59 HydrophobicContact CD2-CG2 4.44Å; Y48-T59 HydrophobicContact CE2-CG2 3.56Å; R49-T59 CarbonylContact O-C 3.56Å; R49-T59 WeakPolarHBondContact O-CA 3.47Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.27Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.34Å; T59-R61 HydrophobicContact CG2-CG 4.34Å; T59-R61 VanDerWaalsContact CG2-CZ 3.49Å; T59-V219 CarbonylContact O-C 3.59Å; T59-V219 WeakPolarHBondContact O-CA 3.07Å; T59-E220 PolarHBondContact N-O 3.44Å; T59-E220 PolarHBondContact O-N 2.85Å |
| 60 | I | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131 | 177 | -58.8 | 177.9 | 0 | 0 | 0 | 108.3 | Y48 R49 Q58 I208 P209 F212 I217 V219 | Y48-I60 VanDerWaalsContact CA-O 3.31Å; Y48-I60 WeakPolarHBondContact CA-O 3.42Å; Y48-I60 WeakPolarHBondContact CD2-O 3.45Å; R49-I60 HydrophobicContact CB-CB 4.18Å; R49-I60 PolarHBondContact N-O 2.73Å; R49-I60 PolarHBondContact O-N 3.26Å; Q58-I60 HydrophobicContact CG-CD1 4.41Å; Q58-I60 HydrophobicContact CG-CG1 4.05Å; I60-I208 HydrophobicContact CD1-CG2 4.15Å; I60-P209 HydrophobicContact CD1-CG 4.33Å; I60-F212 HydrophobicContact CD1-CB 4.29Å; I60-F212 HydrophobicContact CD1-CD2 4.05Å; I60-F212 HydrophobicContact CD1-CG 4.25Å; I60-F212 HydrophobicContact CG2-CB 3.81Å; I60-F212 HydrophobicContact CG2-CD1 3.89Å; I60-F212 HydrophobicContact CG2-CG 3.86Å; I60-I217 HydrophobicContact CG2-CD1 3.83Å; I60-I217 HydrophobicContact CG2-CG1 3.93Å; I60-V219 HydrophobicContact CG1-CG1 4.12Å; I60-V219 HydrophobicContact CG1-CG2 4.02Å; I60-V219 HydrophobicContact CG2-CG2 4.33Å |
| 61 | R | 98.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 35.8 Ų | 35.8 | 29% | 0.291 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128.1 | 176.4 | -61.7 | 173.7 | -176.6 | 104.8 | -2.4 | 109 | Y48 T59 Q64 I217 L218 E220 | Y48-R61 HydrophobicContact CD2-CG 3.99Å; Y48-R61 HydrophobicContact CE2-CG 4.29Å; T59-R61 HydrophobicContact CG2-CG 4.34Å; T59-R61 VanDerWaalsContact CG2-CZ 3.49Å; R61-Q64 HydrophobicContact CB-CG 3.56Å; R61-I217 WeakPolarHBondContact O-CA 3.34Å; R61-L218 PolarHBondContact N-O 3.46Å; R61-L218 PolarHBondContact O-N 3.4Å; R61-E220 IonicContact CZ-OE2 2.7Å; R61-E220 IonicContact NH1-OE2 3.24Å; R61-E220 PolarHBondContact NH1-OE2 2.95Å; R61-E220 IonicContact NH2-OE2 3.89Å |
| 62 | L | 96.2 | Very high | 93.9 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -87.8 | 162.3 | 173.2 | -58.9 | -170.3 | 0 | 0 | 0 | 111.5 | A46 T47 Q64 F212 K214 I217 | A46-L62 WeakPolarHBondContact O-CD1 3.44Å; T47-L62 HydrophobicContact CG2-CB 4.43Å; T47-L62 HydrophobicContact CG2-CD1 4.4Å; T47-L62 PolarHBondContact O-N 3.07Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 2.9Å; L62-Q64 PolarHBondContact O-NE2 2.81Å; L62-F212 HydrophobicContact CD1-CD1 4.41Å; L62-F212 HydrophobicContact CD2-CB 4.49Å; L62-F212 HydrophobicContact CD2-CD1 4.23Å; L62-F212 VanDerWaalsContact CD2-O 3.31Å; L62-F212 WeakPolarHBondContact CD2-O 3.21Å; L62-F212 HydrophobicContact CG-CD1 4.33Å; L62-K214 HydrophobicContact CD1-CD 3.98Å; L62-I217 HydrophobicContact CD2-CB 4.04Å; L62-I217 HydrophobicContact CD2-CD1 4.45Å; L62-I217 HydrophobicContact CD2-CG1 3.93Å |
| 63 | D | 95.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 44.6 Ų | 44.6 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 54.8 | 37.8 | 173.9 | -56 | -51.2 | 0 | 0 | 0 | 114.4 | R216 | D63-R216 PolarHBondContact N-O 2.7Š|
| 64 | Q | 96.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 152.4 | 179.7 | -59.2 | -58.7 | -77.6 | 0 | 0 | 111.9 | R61 L62 Y168 R216 L218 | R61-Q64 HydrophobicContact CB-CG 3.56Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 2.9Å; L62-Q64 PolarHBondContact O-NE2 2.81Å; Q64-Y168 HydrophobicContact CB-CE2 4.35Å; Q64-Y168 WeakPolarHBondContact O-CE2 3.17Å; Q64-Y168 PolarHBondContact O-OH 3.05Å; Q64-R216 PolarHBondContact N-O 2.86Å; Q64-R216 PolarHBondContact O-NE 3.31Å; Q64-L218 HydrophobicContact CB-CB 3.95Å; Q64-L218 HydrophobicContact CG-CB 3.79Å; Q64-L218 HydrophobicContact CG-CD2 4.48Å |
| 65 | D | 95.4 | Very high | 94.1 | Very high | 117 Ų | 117 | 58 Ų | 58 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 154.2 | 166 | -64.1 | -32.7 | 0 | 0 | 0 | 110.6 | R216 | D65-R216 IonicContact OD1-NH2 2.63Å; D65-R216 PolarHBondContact OD1-NH2 2.83Å |
| 66 | P | 92.5 | Very high | 94.2 | Very high | 70 Ų | 70 | 62 Ų | 62 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 136.3 | 178.3 | -22.9 | 32.4 | 0 | 0 | 0 | 111.3 | Y168 | P66-Y168 HydrophobicContact CB-CD1 4.25Å; P66-Y168 HydrophobicContact CB-CE1 3.81Å; P66-Y168 HydrophobicContact CG-CE1 3.73Å |
| 67 | P | 93.3 | Very high | 94 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 14% | 0.143 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 149.5 | 175.6 | 28.1 | -34.6 | 0 | 0 | 0 | 111.1 | V69 L156 L158 F166 Y168 L218 | P67-V69 PolarHBondContact O-N 2.78Å; P67-L156 HydrophobicContact CG-CD2 3.87Å; P67-L158 HydrophobicContact CB-CD1 3.6Å; P67-L158 HydrophobicContact CG-CD1 3.39Å; P67-F166 HydrophobicContact CB-CD2 4.3Å; P67-Y168 HydrophobicContact CG-CG 4.43Å; P67-L218 HydrophobicContact CG-CD1 4.23Å |
| 68 | V | 91.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 68.4 Ų | 68.4 | 76% | 0.764 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 128 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 69 | V | 91.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 135.6 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | P67 G71 F73 A133 A139 L156 L158 | P67-V69 PolarHBondContact O-N 2.78Å; V69-G71 PolarHBondContact O-N 3.12Å; V69-F73 HydrophobicContact CB-CE2 4.07Å; V69-F73 HydrophobicContact CB-CZ 4.15Å; V69-F73 HydrophobicContact CG1-CE1 4.31Å; V69-F73 HydrophobicContact CG1-CE2 3.84Å; V69-F73 HydrophobicContact CG1-CZ 3.69Å; V69-F73 HydrophobicContact CG2-CE2 3.8Å; V69-F73 HydrophobicContact CG2-CZ 3.65Å; V69-A133 HydrophobicContact CG1-CB 4.08Å; V69-A139 HydrophobicContact CB-CB 4.41Å; V69-A139 HydrophobicContact CG1-CB 3.46Å; V69-A139 VanDerWaalsContact CG1-CB 3.46Å; V69-A139 HydrophobicContact CG2-CB 4.15Å; V69-L156 HydrophobicContact CG2-CD1 4.1Å; V69-L156 HydrophobicContact CG2-CD2 3.8Å; V69-L158 HydrophobicContact CG2-CD2 4.08Å |
| 70 | S | 87.9 | Confident | 93.3 | Very high | 34 Ų | 34 | 78.6 Ų | 78.6 | 24% | 0.238 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -80.1 | 116.2 | 173.8 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | S136 D137 | S70-S136 WeakPolarHBondContact CB-OG 3.41Å; S70-S136 PolarHBondContact OG-OG 2.93Å; S70-D137 VanDerWaalsContact CB-CG 3.47Å; S70-D137 VanDerWaalsContact CB-OD1 3.28Å; S70-D137 WeakPolarHBondContact CB-OD1 3.37Å; S70-D137 VanDerWaalsContact CB-OD2 3.24Å; S70-D137 WeakPolarHBondContact CB-OD2 3.3Å; S70-D137 PolarHBondContact N-OD1 2.86Å; S70-D137 PolarHBondContact N-OD2 3.26Å; S70-D137 VanDerWaalsContact OG-CG 3.27Å; S70-D137 PolarHBondContact OG-OD2 3.16Å |
| 71 | G | 86.1 | Confident | 93.2 | Very high | 34 Ų | 34 | 81.2 Ų | 81.2 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 88.3 | -171.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | V69 Q135 | V69-G71 PolarHBondContact O-N 3.12Å; G71-Q135 VanDerWaalsContact CA-OE1 3.29Å |
| 72 | N | 90.6 | Very high | 93.1 | Very high | 123 Ų | 123 | 83.3 Ų | 83.3 | 66% | 0.658 | 43% | 0.431 | S | S | * | . | trans | -92.7 | 134.3 | -174.3 | -64.8 | -26.6 | 0 | 0 | 0 | 111.1 | F74 | N72-F74 WeakPolarHBondContact O-CD2 3.32Å; N72-F74 VanDerWaalsContact O-CE2 3.3Å; N72-F74 WeakPolarHBondContact O-CE2 3.02Å | ||
| 73 | F | 94.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 83.3 Ų | 83.3 | 34% | 0.338 | 43% | 0.431 | S | S | . | . | trans | -69.1 | 141.8 | 169.7 | -79.8 | -68 | 0 | 0 | 0 | 111.7 | V69 D131 A133 A139 A141 L156 | V69-F73 HydrophobicContact CB-CE2 4.07Å; V69-F73 HydrophobicContact CB-CZ 4.15Å; V69-F73 HydrophobicContact CG1-CE1 4.31Å; V69-F73 HydrophobicContact CG1-CE2 3.84Å; V69-F73 HydrophobicContact CG1-CZ 3.69Å; V69-F73 HydrophobicContact CG2-CE2 3.8Å; V69-F73 HydrophobicContact CG2-CZ 3.65Å; F73-D131 HydrophobicContact CB-CB 4Å; F73-D131 HydrophobicContact CD1-CB 3.58Å; F73-D131 HydrophobicContact CE1-CB 4.21Å; F73-D131 HydrophobicContact CG-CB 3.9Å; F73-A133 HydrophobicContact CD1-CB 4.15Å; F73-A133 HydrophobicContact CE1-CB 4.3Å; F73-A139 HydrophobicContact CE1-CB 3.68Å; F73-A139 HydrophobicContact CZ-CB 3.82Å; F73-A141 HydrophobicContact CE1-CB 4.48Å; F73-A141 HydrophobicContact CZ-CB 4.5Å; F73-L156 HydrophobicContact CE1-CD1 4.46Å; F73-L156 HydrophobicContact CZ-CD1 3.81Å | ||
| 74 | F | 93.5 | Very high | 93.2 | Very high | 129 Ų | 129 | 83 Ų | 83 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.6 | 168.2 | -59.8 | -87.7 | 0 | 0 | 0 | 109.5 | N72 I132 | N72-F74 WeakPolarHBondContact O-CD2 3.32Å; N72-F74 VanDerWaalsContact O-CE2 3.3Å; N72-F74 WeakPolarHBondContact O-CE2 3.02Å; F74-I132 PolarHBondContact N-O 3.05Å; F74-I132 PolarHBondContact O-N 3.3Å |
| 75 | K | 94.8 | Very high | 93.1 | Very high | 161 Ų | 161 | 80.6 Ų | 80.6 | 70% | 0.7 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131 | 174.3 | -75.9 | -179.1 | -177.6 | -167.2 | 0 | 110.6 | D131 | K75-D131 WeakPolarHBondContact CG-OD1 3.41Å |
| 76 | K | 93.8 | Very high | 93.2 | Very high | 83 Ų | 83 | 82.3 Ų | 82.3 | 36% | 0.361 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.4 | 172.4 | -66.9 | -61.8 | -173.9 | 176.8 | 0 | 109.6 | Q81 K129 F130 I132 | K76-Q81 HydrophobicContact CG-CG 4.42Å; K76-K129 VanDerWaalsContact O-CA 3.23Å; K76-K129 WeakPolarHBondContact O-CA 3.48Å; K76-F130 HydrophobicContact CB-CE2 4.37Å; K76-F130 HydrophobicContact CB-CZ 4.3Å; K76-F130 PolarHBondContact N-O 2.97Å; K76-F130 PolarHBondContact O-N 3.35Å; K76-I132 HydrophobicContact CB-CD1 4.22Å; K76-I132 HydrophobicContact CG-CD1 3.69Å; K76-I132 HydrophobicContact CG-CG1 4.36Å |
| 77 | Q | 92.1 | Very high | 93.3 | Very high | 121 Ų | 121 | 80.3 Ų | 80.3 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 99.5 | 170.4 | -170.5 | 173.4 | -8.6 | 0 | 0 | 107.5 | E128 K129 | Q77-E128 HydrophobicContact CG-CB 4.31Å; Q77-E128 PolarHBondContact NE2-OE2 2.9Å; Q77-K129 HydrophobicContact CB-CG 3.94Å; Q77-K129 HydrophobicContact CG-CG 3.98Å |
| 78 | S | 89.7 | Confident | 93.4 | Very high | 49 Ų | 49 | 85.1 Ų | 85.1 | 34% | 0.343 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -162 | 154.1 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 109 | V80 F130 | S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 WeakPolarHBondContact CB-O 3.24Å; S78-V80 PolarHBondContact OG-N 3.3Å; S78-V80 PolarHBondContact OG-O 2.82Å; S78-F130 WeakPolarHBondContact O-CE1 3.32Å |
| 79 | F | 92.7 | Very high | 93.7 | Very high | 154 Ų | 154 | 79.5 Ų | 79.5 | 68% | 0.675 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -66.1 | -36.6 | 167.6 | -69.5 | -70.4 | 0 | 0 | 0 | 111.7 | L102 N103 | F79-L102 WeakPolarHBondContact O-CA 3.48Å; F79-N103 PolarHBondContact O-N 3.13Å; F79-N103 PolarHBondContact O-OD1 3.28Å |
| 80 | V | 95.1 | Very high | 93.8 | Very high | 65 Ų | 65 | 84.4 Ų | 84.4 | 39% | 0.394 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133.2 | -179.2 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | S78 I101 L102 | S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 WeakPolarHBondContact CB-O 3.24Å; S78-V80 PolarHBondContact OG-N 3.3Å; S78-V80 PolarHBondContact OG-O 2.82Å; V80-I101 CarbonylContact C-O 3.58Å; V80-I101 VanDerWaalsContact CA-O 3.3Å; V80-I101 WeakPolarHBondContact CA-O 3.18Å; V80-L102 HydrophobicContact CG1-CD1 4.41Å; V80-L102 HydrophobicContact CG2-CG 4.2Å |
| 81 | Q | 96.2 | Very high | 94.2 | Very high | 56 Ų | 56 | 83 Ų | 83 | 26% | 0.262 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.6 | 168.9 | 177.1 | 62.4 | 66.4 | 0 | 0 | 109.9 | K76 I83 I101 F130 I132 | K76-Q81 HydrophobicContact CG-CG 4.42Å; Q81-I83 HydrophobicContact CG-CG1 4.35Å; Q81-I101 PolarHBondContact N-O 3.21Å; Q81-I101 PolarHBondContact O-N 2.86Å; Q81-F130 HydrophobicContact CB-CE2 4.07Å; Q81-F130 HydrophobicContact CB-CZ 3.69Å; Q81-I132 HydrophobicContact CB-CD1 4Å; Q81-I132 HydrophobicContact CG-CD1 3.54Å |
| 82 | K | 96.9 | Very high | 94.6 | Very high | 121 Ų | 121 | 81.4 Ų | 81.4 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.8 | 174.2 | -69.4 | 172 | 167.3 | -123.1 | 0 | 111 | E98 L99 | K82-E98 HydrophobicContact CB-CG 4.21Å; K82-E98 WeakPolarHBondContact CD-OE1 3.34Å; K82-E98 WeakPolarHBondContact CE-OE1 3.05Å; K82-E98 HydrophobicContact CG-CG 4.37Å; K82-E98 IonicContact NZ-OE1 2.87Å; K82-E98 PolarHBondContact NZ-OE1 3.41Å; K82-E98 IonicContact NZ-OE2 3.97Å; K82-L99 CarbonylContact C-O 3.47Å; K82-L99 WeakPolarHBondContact CA-O 3.47Å |
| 83 | I | 95.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 76.6 Ų | 76.6 | 5% | 0.051 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.1 | 179.6 | -57.8 | 177.8 | 0 | 0 | 0 | 108.8 | Q81 E98 L99 I101 I132 N134 I138 | Q81-I83 HydrophobicContact CG-CG1 4.35Å; I83-E98 CarbonylContact O-C 3.56Å; I83-E98 WeakPolarHBondContact O-CA 3.48Å; I83-L99 HydrophobicContact CB-CB 4.42Å; I83-L99 PolarHBondContact N-O 3.48Å; I83-L99 PolarHBondContact O-N 3.33Å; I83-I101 HydrophobicContact CD1-CD1 4.11Å; I83-I101 HydrophobicContact CD1-CG1 3.5Å; I83-I101 VanDerWaalsContact CD1-CG1 3.5Å; I83-I101 HydrophobicContact CG1-CG1 4.09Å; I83-I132 HydrophobicContact CD1-CD1 4.09Å; I83-I132 HydrophobicContact CD1-CG2 3.44Å; I83-I132 VanDerWaalsContact CD1-CG2 3.44Å; I83-N134 HydrophobicContact CG2-CB 4.08Å; I83-N134 WeakPolarHBondContact CG2-ND2 3.5Å; I83-I138 HydrophobicContact CD1-CG2 4.42Å |
| 84 | T | 97 | Very high | 94.6 | Very high | 95 Ų | 95 | 75.6 Ų | 75.6 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | trans | -93.1 | 123.1 | 165.7 | -57 | 0 | 0 | 0 | 0 | 108.9 | K86 N134 | T84-K86 PolarHBondContact O-N 2.8Å; T84-N134 PolarHBondContact O-ND2 3.05Å | ||
| 85 | P | 96.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 76.4 Ų | 76.4 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | trans | -56.7 | 136.2 | 174.2 | -25 | 34.5 | 0 | 0 | 0 | 111.8 | F87 L89 V96 I138 | P85-F87 PolarHBondContact O-N 2.89Å; P85-L89 HydrophobicContact CB-CB 4.14Å; P85-L89 HydrophobicContact CB-CD2 4.37Å; P85-L89 HydrophobicContact CG-CB 4.25Å; P85-L89 HydrophobicContact CG-CD2 3.9Å; P85-V96 HydrophobicContact CG-CG1 4.08Å; P85-I138 HydrophobicContact CB-CD1 3.91Å; P85-I138 HydrophobicContact CG-CD1 3.96Å | ||
| 86 | K | 95.7 | Very high | 94.8 | Very high | 153 Ų | 153 | 69.1 Ų | 69.1 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -82.9 | 3.2 | 176.9 | -69.6 | -178.5 | -179 | 168.5 | 0 | 113.9 | T84 N134 | T84-K86 PolarHBondContact O-N 2.8Å; K86-N134 WeakPolarHBondContact CD-O 3.33Å; K86-N134 VanDerWaalsContact CE-O 3.23Å; K86-N134 WeakPolarHBondContact CE-O 3.24Å; K86-N134 PolarHBondContact NZ-O 2.79Å |
| 87 | F | 95.5 | Very high | 95 | Very high | 28 Ų | 28 | 70 Ų | 70 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -138.6 | 158.5 | -179.1 | 48.5 | -98.7 | 0 | 0 | 0 | 109.5 | P85 L89 S136 I138 P161 | P85-F87 PolarHBondContact O-N 2.89Å; F87-L89 HydrophobicContact CD2-CB 4.1Å; F87-L89 HydrophobicContact CE2-CB 3.93Å; F87-L89 HydrophobicContact CE2-CD1 4.17Å; F87-L89 HydrophobicContact CE2-CD2 4.48Å; F87-L89 HydrophobicContact CE2-CG 4.4Å; F87-L89 PolarHBondContact O-N 3.01Å; F87-S136 WeakPolarHBondContact CE1-O 3.23Å; F87-I138 HydrophobicContact CE1-CD1 4.49Å; F87-I138 HydrophobicContact CE1-CG1 4.06Å; F87-I138 HydrophobicContact CZ-CD1 4.04Å; F87-I138 HydrophobicContact CZ-CG1 3.88Å; F87-P161 HydrophobicContact CB-CB 4.3Å; F87-P161 HydrophobicContact CB-CG 4.35Å; F87-P161 HydrophobicContact CD1-CG 4Å; F87-P161 VanDerWaalsContact CD2-CA 3.49Å; F87-P161 HydrophobicContact CD2-CB 3.7Å; F87-P161 HydrophobicContact CD2-CG 3.86Å; F87-P161 HydrophobicContact CE1-CG 4.21Å; F87-P161 HydrophobicContact CE2-CB 4.13Å; F87-P161 HydrophobicContact CE2-CG 4.07Å; F87-P161 HydrophobicContact CG-CB 3.98Å; F87-P161 HydrophobicContact CG-CG 3.81Å; F87-P161 HydrophobicContact CZ-CG 4.23Å |
| 88 | P | 95.3 | Very high | 95.2 | Very high | 122 Ų | 122 | 66.5 Ų | 66.5 | 79% | 0.792 | 33% | 0.333 | S | S | * | . | trans | -60.7 | 112.6 | 171.7 | -20.4 | 32.9 | 0 | 0 | 0 | 110.1 | ||||
| 89 | L | 96.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | trans | -114.2 | 136.8 | 178.6 | 176.1 | 61.5 | 0 | 0 | 0 | 109.9 | P85 F87 V96 I159 | P85-L89 HydrophobicContact CB-CB 4.14Å; P85-L89 HydrophobicContact CB-CD2 4.37Å; P85-L89 HydrophobicContact CG-CB 4.25Å; P85-L89 HydrophobicContact CG-CD2 3.9Å; F87-L89 HydrophobicContact CD2-CB 4.1Å; F87-L89 HydrophobicContact CE2-CB 3.93Å; F87-L89 HydrophobicContact CE2-CD1 4.17Å; F87-L89 HydrophobicContact CE2-CD2 4.48Å; F87-L89 HydrophobicContact CE2-CG 4.4Å; F87-L89 PolarHBondContact O-N 3.01Å; L89-V96 HydrophobicContact CB-CB 4.12Å; L89-V96 HydrophobicContact CB-CG2 4.45Å; L89-V96 HydrophobicContact CD2-CB 3.95Å; L89-V96 HydrophobicContact CD2-CG1 4.02Å; L89-V96 HydrophobicContact CD2-CG2 4.01Å; L89-V96 HydrophobicContact CG-CB 3.93Å; L89-V96 HydrophobicContact CG-CG2 3.81Å; L89-V96 PolarHBondContact O-N 2.78Å; L89-I159 HydrophobicContact CD1-CG2 3.53Å; L89-I159 HydrophobicContact CD2-CG2 3.79Å; L89-I159 HydrophobicContact CG-CG2 4.33Å | ||
| 90 | K | 95.1 | Very high | 95.9 | Very high | 133 Ų | 133 | 57 Ų | 57 | 58% | 0.578 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143 | 170.3 | -69.8 | -179.7 | 176.9 | -176.5 | 0 | 110.4 | Q94 | K90-Q94 CarbonylContact C-O 3.58Å; K90-Q94 WeakPolarHBondContact CA-O 3.42Å |
| 91 | Y | 95.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.5 | 173.4 | 179.8 | -101.7 | 0 | 0 | 0 | 108.2 | G93 Q94 I109 I115 M165 Y186 | Y91-G93 PolarHBondContact O-N 2.81Å; Y91-Q94 PolarHBondContact N-O 2.9Å; Y91-Q94 WeakPolarHBondContact O-CB 3.28Å; Y91-Q94 PolarHBondContact O-N 3.06Å; Y91-I109 HydrophobicContact CD1-CD1 3.7Å; Y91-I109 HydrophobicContact CD1-CG2 4.28Å; Y91-I109 HydrophobicContact CD2-CD1 3.39Å; Y91-I109 HydrophobicContact CE1-CD1 3.73Å; Y91-I109 HydrophobicContact CE2-CD1 3.4Å; Y91-I109 HydrophobicContact CG-CD1 3.53Å; Y91-I109 HydrophobicContact CG-CG2 4.25Å; Y91-I115 HydrophobicContact CD1-CD1 4.41Å; Y91-M165 HydrophobicContact CD2-CE 4.2Å; Y91-M165 HydrophobicContact CD2-SD 3.88Å; Y91-M165 HydrophobicContact CE2-CE 3.93Å; Y91-M165 HydrophobicContact CE2-SD 3.88Å; Y91-Y186 WeakPolarHBondContact CE1-O 3.4Å; Y91-Y186 PolarHBondContact OH-N 2.63Å; Y91-Y186 PolarHBondContact OH-O 3.38Å |
| 92 | Y | 93.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.2 | -169.4 | -71.5 | -102 | 0 | 0 | 0 | 112.6 | E55 Y56 Q94 I185 Y187 N204 T262 | E55-Y92 HydrophobicContact CB-CD1 3.71Å; E55-Y92 HydrophobicContact CB-CE1 3.73Å; E55-Y92 HydrophobicContact CG-CD1 3.86Å; E55-Y92 HydrophobicContact CG-CE1 3.99Å; Y56-Y92 HydrophobicContact CD2-CD1 4.36Å; Y56-Y92 HydrophobicContact CD2-CD2 4.45Å; Y56-Y92 AromaticContact CD2-CE1 3.98Å; Y56-Y92 HydrophobicContact CD2-CE1 3.98Å; Y56-Y92 HydrophobicContact CD2-CE2 4.09Å; Y56-Y92 AromaticContact CD2-CZ 3.87Å; Y56-Y92 AromaticContact CE2-CD1 3.98Å; Y56-Y92 HydrophobicContact CE2-CD1 3.98Å; Y56-Y92 AromaticContact CE2-CD2 3.55Å; Y56-Y92 HydrophobicContact CE2-CD2 3.55Å; Y56-Y92 AromaticContact CE2-CE1 3.96Å; Y56-Y92 HydrophobicContact CE2-CE1 3.96Å; Y56-Y92 AromaticContact CE2-CE2 3.54Å; Y56-Y92 HydrophobicContact CE2-CE2 3.54Å; Y56-Y92 AromaticContact CE2-CG 3.8Å; Y56-Y92 HydrophobicContact CE2-CG 3.8Å; Y56-Y92 AromaticContact CE2-CZ 3.78Å; Y56-Y92 PolarHBondContact OH-N 2.94Å; Y56-Y92 VanDerWaalsContact OH-N 3.13Å; Y92-Q94 PolarHBondContact O-N 3.19Å; Y92-Q94 VanDerWaalsContact O-N 3.15Å; Y92-I185 HydrophobicContact CE2-CD1 4.43Å; Y92-Y187 HydrophobicContact CG-CD2 4.4Å; Y92-Y187 HydrophobicContact CG-CG 4.41Å; Y92-N204 HydrophobicContact CE1-CB 3.85Å; Y92-N204 WeakPolarHBondContact CE1-OD1 3.31Å; Y92-N204 PolarHBondContact OH-O 3.28Å; Y92-T262 WeakPolarHBondContact O-CG2 3.16Å; Y92-T262 PolarHBondContact O-OG1 3.45Å |
| 93 | G | 91.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -17 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y91 | Y91-G93 PolarHBondContact O-N 2.81Š|
| 94 | Q | 93 | Very high | 95.5 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.8 | -179 | -64.9 | -61.6 | -56.5 | 0 | 0 | 111.5 | K90 Y91 Y92 V96 I115 Y187 T262 | K90-Q94 CarbonylContact C-O 3.58Å; K90-Q94 WeakPolarHBondContact CA-O 3.42Å; Y91-Q94 PolarHBondContact N-O 2.9Å; Y91-Q94 WeakPolarHBondContact O-CB 3.28Å; Y91-Q94 PolarHBondContact O-N 3.06Å; Y92-Q94 PolarHBondContact O-N 3.19Å; Y92-Q94 VanDerWaalsContact O-N 3.15Å; Q94-V96 PolarHBondContact O-N 2.85Å; Q94-I115 HydrophobicContact CB-CD1 3.83Å; Q94-I115 HydrophobicContact CB-CG2 4.49Å; Q94-Y187 HydrophobicContact CG-CE2 3.81Å; Q94-T262 HydrophobicContact CG-CG2 3.88Å; Q94-T262 PolarHBondContact NE2-O 2.85Å; Q94-T262 PolarHBondContact NE2-OG1 3.12Å |
| 95 | K | 95.5 | Very high | 95.2 | Very high | 145 Ų | 145 | 45.7 Ų | 45.7 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 124.8 | 177.4 | -177.8 | 177.2 | 179.3 | 177.3 | 0 | 110.2 | G111 | K95-G111 VanDerWaalsContact O-CA 3.23Å; K95-G111 WeakPolarHBondContact O-CA 3.44Å |
| 96 | V | 97.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 130.8 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | P85 L89 Q94 L99 I109 I115 | P85-V96 HydrophobicContact CG-CG1 4.08Å; L89-V96 HydrophobicContact CB-CB 4.12Å; L89-V96 HydrophobicContact CB-CG2 4.45Å; L89-V96 HydrophobicContact CD2-CB 3.95Å; L89-V96 HydrophobicContact CD2-CG1 4.02Å; L89-V96 HydrophobicContact CD2-CG2 4.01Å; L89-V96 HydrophobicContact CG-CB 3.93Å; L89-V96 HydrophobicContact CG-CG2 3.81Å; L89-V96 PolarHBondContact O-N 2.78Å; Q94-V96 PolarHBondContact O-N 2.85Å; V96-L99 HydrophobicContact CG1-CD2 3.9Å; V96-L99 HydrophobicContact CG1-CG 4.23Å; V96-I109 HydrophobicContact CB-CG2 4.32Å; V96-I109 HydrophobicContact CG1-CG2 3.77Å; V96-I109 HydrophobicContact CG2-CG2 3.64Å; V96-I115 HydrophobicContact CG2-CD1 4.26Å |
| 97 | K | 97.7 | Very high | 95.2 | Very high | 100 Ų | 100 | 38.3 Ų | 38.3 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | trans | -108 | -37 | 174.4 | -65.1 | -170.8 | -176.8 | 174.6 | 0 | 112.4 | Y110 G111 D112 | K97-Y110 PolarHBondContact N-O 2.8Å; K97-G111 WeakPolarHBondContact CD-O 3.39Å; K97-D112 VanDerWaalsContact CE-OD1 3.24Å; K97-D112 WeakPolarHBondContact CE-OD1 3.32Å; K97-D112 IonicContact NZ-OD1 3.42Å; K97-D112 PolarHBondContact NZ-OD1 2.78Å | ||
| 98 | E | 98.2 | Very high | 95.3 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 143.8 | -177.5 | -178.3 | 175.4 | 95.2 | 0 | 0 | 110.3 | K82 I83 Y110 | K82-E98 HydrophobicContact CB-CG 4.21Å; K82-E98 WeakPolarHBondContact CD-OE1 3.34Å; K82-E98 WeakPolarHBondContact CE-OE1 3.05Å; K82-E98 HydrophobicContact CG-CG 4.37Å; K82-E98 IonicContact NZ-OE1 2.87Å; K82-E98 PolarHBondContact NZ-OE1 3.41Å; K82-E98 IonicContact NZ-OE2 3.97Å; I83-E98 CarbonylContact O-C 3.56Å; I83-E98 WeakPolarHBondContact O-CA 3.48Å; E98-Y110 PolarHBondContact N-O 2.88Å; E98-Y110 VanDerWaalsContact N-O 3.16Å; E98-Y110 PolarHBondContact O-N 3.11Å |
| 99 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.8 | 166.7 | -60.1 | 171.8 | 0 | 0 | 0 | 108 | K82 I83 V96 I101 I107 E108 I109 I138 I159 | K82-L99 CarbonylContact C-O 3.47Å; K82-L99 WeakPolarHBondContact CA-O 3.47Å; I83-L99 HydrophobicContact CB-CB 4.42Å; I83-L99 PolarHBondContact N-O 3.48Å; I83-L99 PolarHBondContact O-N 3.33Å; V96-L99 HydrophobicContact CG1-CD2 3.9Å; V96-L99 HydrophobicContact CG1-CG 4.23Å; L99-I101 HydrophobicContact CB-CD1 4.02Å; L99-I107 HydrophobicContact CB-CG2 4.27Å; L99-I107 HydrophobicContact CD2-CG2 4.01Å; L99-E108 CarbonylContact C-O 3.57Å; L99-E108 WeakPolarHBondContact CA-O 3.49Å; L99-I109 HydrophobicContact CD2-CB 4.1Å; L99-I109 HydrophobicContact CD2-CD1 4.43Å; L99-I109 HydrophobicContact CD2-CG1 3.72Å; L99-I109 HydrophobicContact CD2-CG2 3.86Å; L99-I138 HydrophobicContact CD1-CD1 3.59Å; L99-I138 HydrophobicContact CD1-CG2 4.26Å; L99-I159 HydrophobicContact CD1-CD1 3.7Å |
| 100 | S | 97.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.7 | 168.5 | -66.8 | 0 | 0 | 0 | 0 | 108.5 | L102 E108 | S100-L102 WeakPolarHBondContact O-CD1 3.47Å; S100-E108 PolarHBondContact N-O 2.99Å; S100-E108 PolarHBondContact O-N 2.89Å |
| 101 | I | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.1 | 179.8 | -47.3 | -50.8 | 0 | 0 | 0 | 108.5 | V80 Q81 I83 L99 I107 F130 V140 W142 | V80-I101 CarbonylContact C-O 3.58Å; V80-I101 VanDerWaalsContact CA-O 3.3Å; V80-I101 WeakPolarHBondContact CA-O 3.18Å; Q81-I101 PolarHBondContact N-O 3.21Å; Q81-I101 PolarHBondContact O-N 2.86Å; I83-I101 HydrophobicContact CD1-CD1 4.11Å; I83-I101 HydrophobicContact CD1-CG1 3.5Å; I83-I101 VanDerWaalsContact CD1-CG1 3.5Å; I83-I101 HydrophobicContact CG1-CG1 4.09Å; L99-I101 HydrophobicContact CB-CD1 4.02Å; I101-I107 HydrophobicContact CD1-CB 4.32Å; I101-I107 HydrophobicContact CD1-CD1 4.18Å; I101-I107 HydrophobicContact CD1-CG1 3.92Å; I101-I107 HydrophobicContact CD1-CG2 3.76Å; I101-F130 HydrophobicContact CB-CE2 3.85Å; I101-F130 HydrophobicContact CB-CZ 4.26Å; I101-F130 HydrophobicContact CG2-CD2 3.9Å; I101-F130 HydrophobicContact CG2-CE2 3.37Å; I101-F130 HydrophobicContact CG2-CZ 4.02Å; I101-V140 HydrophobicContact CD1-CG2 4.01Å; I101-V140 HydrophobicContact CG1-CG2 4.18Å; I101-V140 HydrophobicContact CG2-CG1 3.59Å; I101-V140 HydrophobicContact CG2-CG2 4.18Å; I101-W142 HydrophobicContact CG2-CH2 4.37Å; I101-W142 HydrophobicContact CG2-CZ2 3.6Å |
| 102 | L | 95.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 142 | 177.7 | -73.6 | 65.2 | 0 | 0 | 0 | 109.6 | F79 V80 S100 S104 G105 V106 E108 W142 | F79-L102 WeakPolarHBondContact O-CA 3.48Å; V80-L102 HydrophobicContact CG1-CD1 4.41Å; V80-L102 HydrophobicContact CG2-CG 4.2Å; S100-L102 WeakPolarHBondContact O-CD1 3.47Å; L102-S104 WeakPolarHBondContact CB-OG 3.35Å; L102-S104 PolarHBondContact O-N 2.89Å; L102-S104 VanDerWaalsContact O-N 3.12Å; L102-G105 PolarHBondContact O-N 3.11Å; L102-V106 HydrophobicContact CB-CB 4.13Å; L102-V106 HydrophobicContact CD2-CB 4.17Å; L102-V106 HydrophobicContact CD2-CG1 4.36Å; L102-V106 PolarHBondContact N-O 2.86Å; L102-E108 HydrophobicContact CD1-CG 4.06Å; L102-W142 PolarHBondContact O-NE1 3.03Å |
| 103 | N | 92.9 | Very high | 95.1 | Very high | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.15 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.8 | 173.8 | 66.1 | -14.6 | 0 | 0 | 0 | 113 | F79 G105 F126 F130 | F79-N103 PolarHBondContact O-N 3.13Å; F79-N103 PolarHBondContact O-OD1 3.28Å; N103-G105 PolarHBondContact O-N 3Å; N103-F126 VanDerWaalsContact O-CB 3.25Å; N103-F126 WeakPolarHBondContact O-CB 3.43Å; N103-F130 HydrophobicContact CB-CD1 4.14Å; N103-F130 HydrophobicContact CB-CE1 4.14Å |
| 104 | S | 91.2 | Very high | 95.2 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 36% | 0.357 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 6.1 | 177.6 | 59.9 | 0 | 0 | 0 | 0 | 115.4 | L102 F126 | L102-S104 WeakPolarHBondContact CB-OG 3.35Å; L102-S104 PolarHBondContact O-N 2.89Å; L102-S104 VanDerWaalsContact O-N 3.12Å; S104-F126 VanDerWaalsContact C-CD2 3.46Å; S104-F126 WeakPolarHBondContact O-CD2 3.29Å; S104-F126 WeakPolarHBondContact O-CE2 3.25Å |
| 105 | G | 92.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 35.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L102 N103 I120 | L102-G105 PolarHBondContact O-N 3.11Å; N103-G105 PolarHBondContact O-N 3Å; G105-I120 VanDerWaalsContact O-CB 3.32Å; G105-I120 WeakPolarHBondContact O-CB 3.48Å; G105-I120 VanDerWaalsContact O-CG1 3.3Å; G105-I120 WeakPolarHBondContact O-CG1 3.31Å; G105-I120 PolarHBondContact O-N 3.28Å |
| 106 | V | 94.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.1 | 177 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | L102 E108 Q117 I118 N119 | L102-V106 HydrophobicContact CB-CB 4.13Å; L102-V106 HydrophobicContact CD2-CB 4.17Å; L102-V106 HydrophobicContact CD2-CG1 4.36Å; L102-V106 PolarHBondContact N-O 2.86Å; V106-E108 HydrophobicContact CG1-CG 4.18Å; V106-Q117 HydrophobicContact CG1-CG 3.55Å; V106-I118 WeakPolarHBondContact CA-O 3.35Å; V106-N119 WeakPolarHBondContact CG2-OD1 3.44Å |
| 107 | I | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.2 | 167.8 | -54.3 | 179.7 | 0 | 0 | 0 | 107.7 | L99 I101 I109 Q117 I118 W142 Y157 | L99-I107 HydrophobicContact CB-CG2 4.27Å; L99-I107 HydrophobicContact CD2-CG2 4.01Å; I101-I107 HydrophobicContact CD1-CB 4.32Å; I101-I107 HydrophobicContact CD1-CD1 4.18Å; I101-I107 HydrophobicContact CD1-CG1 3.92Å; I101-I107 HydrophobicContact CD1-CG2 3.76Å; I107-I109 HydrophobicContact CG2-CG1 4.25Å; I107-Q117 CarbonylContact O-C 3.55Å; I107-Q117 VanDerWaalsContact O-CA 3.29Å; I107-Q117 WeakPolarHBondContact O-CA 2.94Å; I107-I118 HydrophobicContact CB-CB 4.16Å; I107-I118 HydrophobicContact CB-CD1 4.01Å; I107-I118 HydrophobicContact CD1-CD1 4.2Å; I107-I118 HydrophobicContact CG2-CD1 4.18Å; I107-I118 PolarHBondContact N-O 2.86Å; I107-I118 PolarHBondContact O-N 3.06Å; I107-W142 HydrophobicContact CD1-CH2 3.88Å; I107-W142 HydrophobicContact CG1-CH2 3.7Å; I107-W142 HydrophobicContact CG1-CZ2 4.19Å; I107-Y157 HydrophobicContact CD1-CD1 3.52Å; I107-Y157 HydrophobicContact CD1-CE1 3.92Å; I107-Y157 HydrophobicContact CD1-CG 3.98Å |
| 108 | E | 97.4 | Very high | 95 | Very high | 46 Ų | 46 | 27.6 Ų | 27.6 | 22% | 0.215 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.4 | 170.1 | -62 | -178.8 | 141.5 | 0 | 0 | 109.7 | L99 S100 L102 V106 Y110 F114 Q117 | L99-E108 CarbonylContact C-O 3.57Å; L99-E108 WeakPolarHBondContact CA-O 3.49Å; S100-E108 PolarHBondContact N-O 2.99Å; S100-E108 PolarHBondContact O-N 2.89Å; L102-E108 HydrophobicContact CD1-CG 4.06Å; V106-E108 HydrophobicContact CG1-CG 4.18Å; E108-Y110 HydrophobicContact CB-CD2 4.48Å; E108-Y110 HydrophobicContact CB-CE2 3.62Å; E108-Y110 PolarHBondContact OE2-OH 2.82Å; E108-Y110 VanDerWaalsContact OE2-OH 3.11Å; E108-F114 HydrophobicContact CB-CD2 4.49Å; E108-F114 HydrophobicContact CB-CE2 3.65Å; E108-F114 HydrophobicContact CB-CZ 4.04Å; E108-F114 HydrophobicContact CG-CE2 4.03Å; E108-F114 HydrophobicContact CG-CZ 3.88Å; E108-Q117 HydrophobicContact CG-CG 4.43Å |
| 109 | I | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126 | -172.1 | -50.3 | -179.3 | 0 | 0 | 0 | 109.4 | Y91 V96 L99 I107 F114 I115 G116 I118 | Y91-I109 HydrophobicContact CD1-CD1 3.7Å; Y91-I109 HydrophobicContact CD1-CG2 4.28Å; Y91-I109 HydrophobicContact CD2-CD1 3.39Å; Y91-I109 HydrophobicContact CE1-CD1 3.73Å; Y91-I109 HydrophobicContact CE2-CD1 3.4Å; Y91-I109 HydrophobicContact CG-CD1 3.53Å; Y91-I109 HydrophobicContact CG-CG2 4.25Å; V96-I109 HydrophobicContact CB-CG2 4.32Å; V96-I109 HydrophobicContact CG1-CG2 3.77Å; V96-I109 HydrophobicContact CG2-CG2 3.64Å; L99-I109 HydrophobicContact CD2-CB 4.1Å; L99-I109 HydrophobicContact CD2-CD1 4.43Å; L99-I109 HydrophobicContact CD2-CG1 3.72Å; L99-I109 HydrophobicContact CD2-CG2 3.86Å; I107-I109 HydrophobicContact CG2-CG1 4.25Å; I109-F114 WeakPolarHBondContact O-CD2 3.44Å; I109-I115 HydrophobicContact CB-CG1 4.16Å; I109-I115 HydrophobicContact CG2-CD1 3.79Å; I109-I115 HydrophobicContact CG2-CG1 3.8Å; I109-I115 WeakPolarHBondContact O-CG1 3.39Å; I109-I115 PolarHBondContact O-N 2.89Å; I109-G116 WeakPolarHBondContact CB-O 3.09Å; I109-G116 PolarHBondContact N-O 3.1Å; I109-G116 PolarHBondContact O-N 2.95Å; I109-I118 HydrophobicContact CD1-CD1 3.75Å; I109-I118 HydrophobicContact CD1-CG1 4.23Å; I109-I118 HydrophobicContact CG1-CD1 4.42Å |
| 110 | Y | 97.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 25.8 Ų | 25.8 | 25% | 0.247 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.8 | -177.1 | -64.4 | -94.2 | 0 | 0 | 0 | 111.3 | K97 E98 E108 D113 F114 | K97-Y110 PolarHBondContact N-O 2.8Å; E98-Y110 PolarHBondContact N-O 2.88Å; E98-Y110 VanDerWaalsContact N-O 3.16Å; E98-Y110 PolarHBondContact O-N 3.11Å; E108-Y110 HydrophobicContact CB-CD2 4.48Å; E108-Y110 HydrophobicContact CB-CE2 3.62Å; E108-Y110 PolarHBondContact OE2-OH 2.82Å; E108-Y110 VanDerWaalsContact OE2-OH 3.11Å; Y110-D113 WeakPolarHBondContact CA-O 3.5Å; Y110-F114 HydrophobicContact CD1-CB 3.94Å; Y110-F114 HydrophobicContact CD1-CD2 4.33Å; Y110-F114 HydrophobicContact CD1-CG 4.47Å; Y110-F114 HydrophobicContact CE1-CB 3.65Å; Y110-F114 AromaticContact CE1-CD2 3.99Å; Y110-F114 HydrophobicContact CE1-CD2 3.99Å; Y110-F114 AromaticContact CE1-CG 3.96Å; Y110-F114 HydrophobicContact CE1-CG 3.96Å; Y110-F114 HydrophobicContact CE2-CD2 4.39Å |
| 111 | G | 95.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 26 Ų | 26 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -101.8 | -120.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | K95 K97 D113 | K95-G111 VanDerWaalsContact O-CA 3.23Å; K95-G111 WeakPolarHBondContact O-CA 3.44Å; K97-G111 WeakPolarHBondContact CD-O 3.39Å; G111-D113 PolarHBondContact N-O 3.16Å |
| 112 | D | 91.2 | Very high | 92.5 | Very high | 138 Ų | 138 | 28.4 Ų | 28.4 | 74% | 0.738 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -71.8 | -24.3 | 164.2 | -67.4 | -37 | 0 | 0 | 0 | 112.5 | K97 | K97-D112 VanDerWaalsContact CE-OD1 3.24Å; K97-D112 WeakPolarHBondContact CE-OD1 3.32Å; K97-D112 IonicContact NZ-OD1 3.42Å; K97-D112 PolarHBondContact NZ-OD1 2.78Å |
| 113 | D | 90.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 34.3 Ų | 34.3 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -133.3 | 175.9 | 178.6 | -87.4 | -54.6 | 0 | 0 | 0 | 109 | Y110 G111 I115 K190 | Y110-D113 WeakPolarHBondContact CA-O 3.5Å; G111-D113 PolarHBondContact N-O 3.16Å; D113-I115 WeakPolarHBondContact O-CG2 3.44Å; D113-I115 PolarHBondContact O-N 2.85Å; D113-I115 VanDerWaalsContact O-N 3.16Å; D113-K190 IonicContact OD1-NZ 3.14Å; D113-K190 PolarHBondContact OD1-NZ 2.84Å; D113-K190 IonicContact OD2-NZ 2.7Å; D113-K190 PolarHBondContact OD2-NZ 2.98Å |
| 114 | F | 94 | Very high | 90.9 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 13% | 0.127 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 109.4 | 165.2 | -176.1 | -161.8 | 0 | 0 | 0 | 110 | E108 I109 Y110 G116 Q117 R188 | E108-F114 HydrophobicContact CB-CD2 4.49Å; E108-F114 HydrophobicContact CB-CE2 3.65Å; E108-F114 HydrophobicContact CB-CZ 4.04Å; E108-F114 HydrophobicContact CG-CE2 4.03Å; E108-F114 HydrophobicContact CG-CZ 3.88Å; I109-F114 WeakPolarHBondContact O-CD2 3.44Å; Y110-F114 HydrophobicContact CD1-CB 3.94Å; Y110-F114 HydrophobicContact CD1-CD2 4.33Å; Y110-F114 HydrophobicContact CD1-CG 4.47Å; Y110-F114 HydrophobicContact CE1-CB 3.65Å; Y110-F114 AromaticContact CE1-CD2 3.99Å; Y110-F114 HydrophobicContact CE1-CD2 3.99Å; Y110-F114 AromaticContact CE1-CG 3.96Å; Y110-F114 HydrophobicContact CE1-CG 3.96Å; Y110-F114 HydrophobicContact CE2-CD2 4.39Å; F114-G116 WeakPolarHBondContact CE2-O 3.33Å; F114-Q117 HydrophobicContact CE2-CB 4.37Å; F114-Q117 HydrophobicContact CZ-CB 4.1Å; F114-R188 VanDerWaalsContact CD1-CZ 3.48Å |
| 115 | I | 94.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -15.5 | -171 | 57.6 | 168.1 | 0 | 0 | 0 | 114.2 | Y91 Q94 V96 I109 D113 Y187 R188 | Y91-I115 HydrophobicContact CD1-CD1 4.41Å; Q94-I115 HydrophobicContact CB-CD1 3.83Å; Q94-I115 HydrophobicContact CB-CG2 4.49Å; V96-I115 HydrophobicContact CG2-CD1 4.26Å; I109-I115 HydrophobicContact CB-CG1 4.16Å; I109-I115 HydrophobicContact CG2-CD1 3.79Å; I109-I115 HydrophobicContact CG2-CG1 3.8Å; I109-I115 WeakPolarHBondContact O-CG1 3.39Å; I109-I115 PolarHBondContact O-N 2.89Å; D113-I115 WeakPolarHBondContact O-CG2 3.44Å; D113-I115 PolarHBondContact O-N 2.85Å; D113-I115 VanDerWaalsContact O-N 3.16Å; I115-Y187 HydrophobicContact CB-CD2 4.4Å; I115-Y187 HydrophobicContact CB-CE2 3.88Å; I115-Y187 HydrophobicContact CG2-CE2 4.31Å; I115-Y187 CarbonylContact O-C 3.5Å; I115-Y187 WeakPolarHBondContact O-CA 3.4Å; I115-Y187 WeakPolarHBondContact O-CD2 3.47Å; I115-Y187 WeakPolarHBondContact O-CE2 3.27Å; I115-R188 PolarHBondContact O-N 2.91Å |
| 116 | G | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167 | 177 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | I109 F114 Y186 | I109-G116 WeakPolarHBondContact CB-O 3.09Å; I109-G116 PolarHBondContact N-O 3.1Å; I109-G116 PolarHBondContact O-N 2.95Å; F114-G116 WeakPolarHBondContact CE2-O 3.33Å; G116-Y186 WeakPolarHBondContact CA-O 3.25Å |
| 117 | Q | 95 | Very high | 90.6 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 143 | -171.3 | 179.9 | -167.7 | -10.2 | 0 | 0 | 110.5 | V106 I107 E108 F114 N119 Y186 | V106-Q117 HydrophobicContact CG1-CG 3.55Å; I107-Q117 CarbonylContact O-C 3.55Å; I107-Q117 VanDerWaalsContact O-CA 3.29Å; I107-Q117 WeakPolarHBondContact O-CA 2.94Å; E108-Q117 HydrophobicContact CG-CG 4.43Å; F114-Q117 HydrophobicContact CE2-CB 4.37Å; F114-Q117 HydrophobicContact CZ-CB 4.1Å; Q117-N119 VanDerWaalsContact CD-ND2 3.31Å; Q117-N119 PolarHBondContact NE2-ND2 2.96Å; Q117-N119 PolarHBondContact NE2-OD1 2.99Å; Q117-Y186 HydrophobicContact CB-CD1 4.39Å; Q117-Y186 HydrophobicContact CB-CE1 3.57Å; Q117-Y186 HydrophobicContact CG-CE1 4.27Å; Q117-Y186 PolarHBondContact N-O 3.23Å; Q117-Y186 WeakPolarHBondContact O-CD1 3.41Å; Q117-Y186 PolarHBondContact O-N 3.07Å; Q117-Y186 PolarHBondContact OE1-OH 3.2Å |
| 118 | I | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127 | 171.1 | -60.2 | 146.9 | 0 | 0 | 0 | 106.7 | V106 I107 I109 I120 Y157 M165 I185 | V106-I118 WeakPolarHBondContact CA-O 3.35Å; I107-I118 HydrophobicContact CB-CB 4.16Å; I107-I118 HydrophobicContact CB-CD1 4.01Å; I107-I118 HydrophobicContact CD1-CD1 4.2Å; I107-I118 HydrophobicContact CG2-CD1 4.18Å; I107-I118 PolarHBondContact N-O 2.86Å; I107-I118 PolarHBondContact O-N 3.06Å; I109-I118 HydrophobicContact CD1-CD1 3.75Å; I109-I118 HydrophobicContact CD1-CG1 4.23Å; I109-I118 HydrophobicContact CG1-CD1 4.42Å; I118-I120 HydrophobicContact CG2-CD1 3.89Å; I118-Y157 HydrophobicContact CD1-CE1 3.65Å; I118-Y157 HydrophobicContact CD1-CE2 4.36Å; I118-Y157 VanDerWaalsContact CD1-CZ 3.48Å; I118-Y157 WeakPolarHBondContact CD1-OH 3.36Å; I118-Y157 WeakPolarHBondContact CG1-OH 3.34Å; I118-Y157 HydrophobicContact CG2-CD2 4.14Å; I118-Y157 HydrophobicContact CG2-CE2 3.45Å; I118-Y157 VanDerWaalsContact CG2-CE2 3.45Å; I118-M165 HydrophobicContact CD1-SD 4.36Å; I118-I185 HydrophobicContact CB-CG2 4.26Å; I118-I185 HydrophobicContact CG1-CB 4.46Å; I118-I185 HydrophobicContact CG1-CG2 3.77Å; I118-I185 HydrophobicContact CG2-CG2 4.05Å |
| 119 | N | 92.5 | Very high | 90.2 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119 | 171.5 | -73.1 | -92.1 | 0 | 0 | 0 | 108.3 | V106 Q117 S183 W184 | V106-N119 WeakPolarHBondContact CG2-OD1 3.44Å; Q117-N119 VanDerWaalsContact CD-ND2 3.31Å; Q117-N119 PolarHBondContact NE2-ND2 2.96Å; Q117-N119 PolarHBondContact NE2-OD1 2.99Å; N119-S183 CarbonylContact O-C 3.49Å; N119-S183 VanDerWaalsContact O-CA 3.25Å; N119-S183 WeakPolarHBondContact O-CA 3.31Å; N119-S183 PolarHBondContact O-OG 2.89Å; N119-S183 VanDerWaalsContact O-OG 3.06Å; N119-W184 HydrophobicContact CB-CD2 4.12Å; N119-W184 HydrophobicContact CB-CG 4.48Å; N119-W184 HydrophobicContact CB-CZ2 4.02Å; N119-W184 PolarHBondContact N-O 2.95Å; N119-W184 PolarHBondContact ND2-NE1 3.23Å; N119-W184 PolarHBondContact O-N 3.34Å |
| 120 | I | 86.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -75.4 | -55.1 | 179.4 | -58.1 | -56.8 | 0 | 0 | 0 | 109.8 | G105 I118 W142 V155 Y157 I167 S183 | G105-I120 VanDerWaalsContact O-CB 3.32Å; G105-I120 WeakPolarHBondContact O-CB 3.48Å; G105-I120 VanDerWaalsContact O-CG1 3.3Å; G105-I120 WeakPolarHBondContact O-CG1 3.31Å; G105-I120 PolarHBondContact O-N 3.28Å; I118-I120 HydrophobicContact CG2-CD1 3.89Å; I120-W142 HydrophobicContact CD1-CZ3 4.34Å; I120-W142 HydrophobicContact CG1-CE3 4.41Å; I120-W142 HydrophobicContact CG1-CH2 4.21Å; I120-W142 HydrophobicContact CG1-CZ3 3.92Å; I120-V155 HydrophobicContact CG2-CB 3.95Å; I120-V155 HydrophobicContact CG2-CG1 3.45Å; I120-V155 VanDerWaalsContact CG2-CG1 3.45Å; I120-V155 HydrophobicContact CG2-CG2 4Å; I120-Y157 HydrophobicContact CD1-CD2 3.44Å; I120-Y157 VanDerWaalsContact CD1-CD2 3.44Å; I120-Y157 HydrophobicContact CD1-CE2 4.05Å; I120-Y157 HydrophobicContact CD1-CG 4.22Å; I120-I167 HydrophobicContact CD1-CD1 4.14Å; I120-I167 HydrophobicContact CD1-CG2 4.36Å; I120-S183 WeakPolarHBondContact O-CA 3.32Å; I120-S183 WeakPolarHBondContact O-CB 3.41Å; I120-S183 PolarHBondContact O-OG 2.91Å |
| 121 | F | 81.5 | Confident | 90 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | trans | -150 | 138.8 | 174.4 | -71.9 | -64.6 | 0 | 0 | 0 | 111.2 | I124 F126 V155 I169 L181 Q182 I213 | F121-I124 HydrophobicContact CB-CB 4.15Å; F121-I124 HydrophobicContact CB-CD1 3.22Å; F121-I124 HydrophobicContact CB-CG1 3.63Å; F121-I124 HydrophobicContact CD1-CD1 4.01Å; F121-I124 HydrophobicContact CD2-CD1 3.38Å; F121-I124 HydrophobicContact CE2-CD1 4.15Å; F121-I124 HydrophobicContact CG-CD1 3.27Å; F121-I124 HydrophobicContact CG-CG1 4.23Å; F121-F126 HydrophobicContact CD2-CZ 4.31Å; F121-V155 HydrophobicContact CD2-CG2 4.06Å; F121-V155 HydrophobicContact CE2-CG2 3.67Å; F121-I169 HydrophobicContact CE1-CD1 4.31Å; F121-I169 HydrophobicContact CE2-CD1 3.94Å; F121-I169 HydrophobicContact CE2-CG1 3.97Å; F121-I169 HydrophobicContact CE2-CG2 4.32Å; F121-I169 HydrophobicContact CZ-CD1 3.38Å; F121-I169 HydrophobicContact CZ-CG1 3.93Å; F121-I169 HydrophobicContact CZ-CG2 4.37Å; F121-L181 HydrophobicContact CD1-CD2 3.9Å; F121-L181 HydrophobicContact CE1-CD2 3.77Å; F121-L181 HydrophobicContact CZ-CD2 4.49Å; F121-Q182 WeakPolarHBondContact CA-O 3.48Å; F121-I213 HydrophobicContact CE1-CD1 4.33Å; F121-I213 HydrophobicContact CE1-CG2 3.62Å; F121-I213 HydrophobicContact CZ-CG2 3.86Å | ||
| 122 | L | 75.6 | Confident | 90 | Very high | 51 Ų | 51 | 41.3 Ų | 41.3 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 140.1 | 169.5 | -67.8 | -173.8 | 0 | 0 | 0 | 111.4 | I124 N180 Q182 W184 | L122-I124 PolarHBondContact O-N 3.01Å; L122-N180 VanDerWaalsContact O-O 3.05Å; L122-Q182 HydrophobicContact CD1-CB 4.24Å; L122-Q182 HydrophobicContact CG-CB 4.33Å; L122-Q182 PolarHBondContact N-O 2.82Å; L122-W184 HydrophobicContact CD1-CH2 3.31Å; L122-W184 HydrophobicContact CD1-CZ3 3.61Å; L122-W184 HydrophobicContact CD2-CH2 3.52Å; L122-W184 HydrophobicContact CD2-CZ2 4.08Å; L122-W184 HydrophobicContact CD2-CZ3 4.26Å; L122-W184 HydrophobicContact CG-CH2 3.46Å; L122-W184 VanDerWaalsContact CG-CH2 3.46Å; L122-W184 HydrophobicContact CG-CZ2 4.45Å; L122-W184 HydrophobicContact CG-CZ3 3.74Å |
| 123 | K | 74.1 | Confident | 90.2 | Very high | 155 Ų | 155 | 34.8 Ų | 34.8 | 67% | 0.674 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 17.5 | 169.5 | -53.7 | 178.1 | -168.9 | 164.7 | 0 | 115.5 | N180 | K123-N180 HydrophobicContact CB-CB 4.5Å; K123-N180 VanDerWaalsContact CD-OD1 3.31Å; K123-N180 WeakPolarHBondContact CD-OD1 3.49Å; K123-N180 PolarHBondContact NZ-OD1 2.79Å |
| 124 | I | 80.3 | Confident | 90.4 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 8% | 0.082 | 16% | 0.156 | C | C | . | . | trans | -81.7 | 133.5 | 165.5 | -63.4 | -173.7 | 0 | 0 | 0 | 108.5 | F121 L122 F126 V144 F176 | F121-I124 HydrophobicContact CB-CB 4.15Å; F121-I124 HydrophobicContact CB-CD1 3.22Å; F121-I124 HydrophobicContact CB-CG1 3.63Å; F121-I124 HydrophobicContact CD1-CD1 4.01Å; F121-I124 HydrophobicContact CD2-CD1 3.38Å; F121-I124 HydrophobicContact CE2-CD1 4.15Å; F121-I124 HydrophobicContact CG-CD1 3.27Å; F121-I124 HydrophobicContact CG-CG1 4.23Å; L122-I124 PolarHBondContact O-N 3.01Å; I124-F126 HydrophobicContact CB-CE2 4.07Å; I124-F126 HydrophobicContact CB-CZ 4.21Å; I124-F126 HydrophobicContact CG2-CD1 4.31Å; I124-F126 HydrophobicContact CG2-CD2 4.33Å; I124-F126 HydrophobicContact CG2-CE1 4.05Å; I124-F126 HydrophobicContact CG2-CE2 4.07Å; I124-F126 HydrophobicContact CG2-CG 4.47Å; I124-F126 HydrophobicContact CG2-CZ 3.93Å; I124-F126 PolarHBondContact O-N 2.84Å; I124-V144 HydrophobicContact CG2-CG1 4.3Å; I124-V144 HydrophobicContact CG2-CG2 4.07Å; I124-F176 HydrophobicContact CD1-CD2 4.45Å; I124-F176 HydrophobicContact CD1-CE1 3.86Å; I124-F176 HydrophobicContact CD1-CE2 3.69Å; I124-F176 HydrophobicContact CD1-CZ 3.35Å; I124-F176 HydrophobicContact CG1-CD1 4.38Å; I124-F176 HydrophobicContact CG1-CE1 3.72Å; I124-F176 HydrophobicContact CG1-CE2 4.46Å; I124-F176 HydrophobicContact CG1-CZ 3.75Å; I124-F176 HydrophobicContact CG2-CE1 4.45Å; I124-F176 HydrophobicContact CG2-CZ 4.19Å | ||
| 125 | A | 87.4 | Confident | 90.3 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | trans | -86 | 104.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | N145 Y149 | A125-N145 HydrophobicContact CB-CB 4.31Å; A125-N145 VanDerWaalsContact O-CB 3.28Å; A125-N145 WeakPolarHBondContact O-CB 3.21Å; A125-N145 PolarHBondContact O-N 3.27Å; A125-Y149 HydrophobicContact CB-CE2 4.22Å | ||
| 126 | F | 91.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 163.2 | 168.8 | -64.8 | -75.2 | 0 | 0 | 0 | 111 | N103 S104 F121 I124 W142 H143 V144 V155 | N103-F126 VanDerWaalsContact O-CB 3.25Å; N103-F126 WeakPolarHBondContact O-CB 3.43Å; S104-F126 VanDerWaalsContact C-CD2 3.46Å; S104-F126 WeakPolarHBondContact O-CD2 3.29Å; S104-F126 WeakPolarHBondContact O-CE2 3.25Å; F121-F126 HydrophobicContact CD2-CZ 4.31Å; I124-F126 HydrophobicContact CB-CE2 4.07Å; I124-F126 HydrophobicContact CB-CZ 4.21Å; I124-F126 HydrophobicContact CG2-CD1 4.31Å; I124-F126 HydrophobicContact CG2-CD2 4.33Å; I124-F126 HydrophobicContact CG2-CE1 4.05Å; I124-F126 HydrophobicContact CG2-CE2 4.07Å; I124-F126 HydrophobicContact CG2-CG 4.47Å; I124-F126 HydrophobicContact CG2-CZ 3.93Å; I124-F126 PolarHBondContact O-N 2.84Å; F126-W142 HydrophobicContact CD1-CB 3.5Å; F126-W142 VanDerWaalsContact CD1-CB 3.5Å; F126-W142 HydrophobicContact CD1-CG 4.35Å; F126-W142 HydrophobicContact CE1-CB 3.79Å; F126-W142 HydrophobicContact CG-CB 4.04Å; F126-W142 HydrophobicContact CG-CG 4.48Å; F126-H143 CarbonylContact C-O 3.57Å; F126-H143 WeakPolarHBondContact CA-O 3.38Å; F126-V144 HydrophobicContact CD1-CG2 4.32Å; F126-V144 HydrophobicContact CE1-CG2 4.22Å; F126-V155 HydrophobicContact CE1-CG2 4.37Å |
| 127 | E | 92.8 | Very high | 90.2 | Very high | 58 Ų | 58 | 38.3 Ų | 38.3 | 27% | 0.271 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 157.3 | 168.5 | -67.1 | -175.9 | -177.7 | 0 | 0 | 111 | K129 H143 | E127-K129 PolarHBondContact O-N 2.89Å; E127-H143 HydrophobicContact CG-CB 4.26Å; E127-H143 PolarHBondContact N-O 2.54Å |
| 128 | E | 92.6 | Very high | 90.3 | Very high | 113 Ų | 113 | 36.8 Ų | 36.8 | 53% | 0.528 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -19.1 | 172.7 | -64.1 | -175.4 | 177.5 | 0 | 0 | 112.8 | Q77 | Q77-E128 HydrophobicContact CG-CB 4.31Å; Q77-E128 PolarHBondContact NE2-OE2 2.9Å |
| 129 | K | 93.8 | Very high | 90.4 | Very high | 100 Ų | 100 | 36.8 Ų | 36.8 | 44% | 0.435 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.8 | -177.9 | -62 | 178.6 | -176.2 | 172.9 | 0 | 110.2 | K76 Q77 E127 | K76-K129 VanDerWaalsContact O-CA 3.23Å; K76-K129 WeakPolarHBondContact O-CA 3.48Å; Q77-K129 HydrophobicContact CB-CG 3.94Å; Q77-K129 HydrophobicContact CG-CG 3.98Å; E127-K129 PolarHBondContact O-N 2.89Å |
| 130 | F | 95.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.8 | 172.1 | 56.7 | -83 | 0 | 0 | 0 | 110 | K76 S78 Q81 I101 N103 I132 V140 A141 W142 | K76-F130 HydrophobicContact CB-CE2 4.37Å; K76-F130 HydrophobicContact CB-CZ 4.3Å; K76-F130 PolarHBondContact N-O 2.97Å; K76-F130 PolarHBondContact O-N 3.35Å; S78-F130 WeakPolarHBondContact O-CE1 3.32Å; Q81-F130 HydrophobicContact CB-CE2 4.07Å; Q81-F130 HydrophobicContact CB-CZ 3.69Å; I101-F130 HydrophobicContact CB-CE2 3.85Å; I101-F130 HydrophobicContact CB-CZ 4.26Å; I101-F130 HydrophobicContact CG2-CD2 3.9Å; I101-F130 HydrophobicContact CG2-CE2 3.37Å; I101-F130 HydrophobicContact CG2-CZ 4.02Å; N103-F130 HydrophobicContact CB-CD1 4.14Å; N103-F130 HydrophobicContact CB-CE1 4.14Å; F130-I132 HydrophobicContact CD2-CD1 3.77Å; F130-I132 HydrophobicContact CD2-CG1 3.58Å; F130-I132 HydrophobicContact CE2-CD1 3.24Å; F130-I132 HydrophobicContact CE2-CG1 3.62Å; F130-I132 HydrophobicContact CZ-CD1 4.19Å; F130-V140 HydrophobicContact CD2-CG1 4Å; F130-A141 WeakPolarHBondContact CA-O 3.02Å; F130-A141 VanDerWaalsContact CB-O 3.32Å; F130-A141 WeakPolarHBondContact CB-O 3.38Å; F130-W142 HydrophobicContact CB-CG 4.31Å |
| 131 | D | 95.7 | Very high | 91 | Very high | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.7 | -178.1 | -64 | -59 | 0 | 0 | 0 | 109.6 | F73 K75 V140 A141 H143 | F73-D131 HydrophobicContact CB-CB 4Å; F73-D131 HydrophobicContact CD1-CB 3.58Å; F73-D131 HydrophobicContact CE1-CB 4.21Å; F73-D131 HydrophobicContact CG-CB 3.9Å; K75-D131 WeakPolarHBondContact CG-OD1 3.41Å; D131-V140 CarbonylContact O-C 3.55Å; D131-V140 WeakPolarHBondContact O-CA 3.5Å; D131-A141 HydrophobicContact CB-CB 4.15Å; D131-A141 PolarHBondContact N-O 2.78Å; D131-A141 PolarHBondContact O-N 2.86Å; D131-H143 IonicContact OD2-CD2 3.69Å; D131-H143 IonicContact OD2-CE1 3.16Å; D131-H143 IonicContact OD2-NE2 2.88Å; D131-H143 PolarHBondContact OD2-NE2 2.9Å |
| 132 | I | 95.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137 | 179 | -56.4 | 173.2 | 0 | 0 | 0 | 111.2 | F74 K76 Q81 I83 F130 A139 | F74-I132 PolarHBondContact N-O 3.05Å; F74-I132 PolarHBondContact O-N 3.3Å; K76-I132 HydrophobicContact CB-CD1 4.22Å; K76-I132 HydrophobicContact CG-CD1 3.69Å; K76-I132 HydrophobicContact CG-CG1 4.36Å; Q81-I132 HydrophobicContact CB-CD1 4Å; Q81-I132 HydrophobicContact CG-CD1 3.54Å; I83-I132 HydrophobicContact CD1-CD1 4.09Å; I83-I132 HydrophobicContact CD1-CG2 3.44Å; I83-I132 VanDerWaalsContact CD1-CG2 3.44Å; F130-I132 HydrophobicContact CD2-CD1 3.77Å; F130-I132 HydrophobicContact CD2-CG1 3.58Å; F130-I132 HydrophobicContact CE2-CD1 3.24Å; F130-I132 HydrophobicContact CE2-CG1 3.62Å; F130-I132 HydrophobicContact CZ-CD1 4.19Å; I132-A139 CarbonylContact C-O 3.56Å; I132-A139 WeakPolarHBondContact CA-O 3.02Å |
| 133 | A | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V69 F73 I138 A139 | V69-A133 HydrophobicContact CG1-CB 4.08Å; F73-A133 HydrophobicContact CD1-CB 4.15Å; F73-A133 HydrophobicContact CE1-CB 4.3Å; A133-I138 CarbonylContact O-C 3.6Å; A133-I138 WeakPolarHBondContact O-CA 3.22Å; A133-A139 HydrophobicContact CB-CB 4.07Å; A133-A139 PolarHBondContact N-O 2.86Å; A133-A139 PolarHBondContact O-N 2.94Å |
| 134 | N | 94.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 89.2 | 175.6 | 176.4 | 20 | 0 | 0 | 0 | 107.9 | I83 T84 K86 D137 | I83-N134 HydrophobicContact CG2-CB 4.08Å; I83-N134 WeakPolarHBondContact CG2-ND2 3.5Å; T84-N134 PolarHBondContact O-ND2 3.05Å; K86-N134 WeakPolarHBondContact CD-O 3.33Å; K86-N134 VanDerWaalsContact CE-O 3.23Å; K86-N134 WeakPolarHBondContact CE-O 3.24Å; K86-N134 PolarHBondContact NZ-O 2.79Å; N134-D137 WeakPolarHBondContact CA-O 3.35Å |
| 135 | Q | 91.5 | Very high | 93.8 | Very high | 84 Ų | 84 | 31.3 Ų | 31.3 | 39% | 0.393 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -131.8 | -116.1 | -178.3 | -61.1 | -164.4 | 4.3 | 0 | 0 | 109.8 | G71 D137 | G71-Q135 VanDerWaalsContact CA-OE1 3.29Å; Q135-D137 VanDerWaalsContact C-N 3.28Å; Q135-D137 CarbonylContact C-O 3.52Å; Q135-D137 PolarHBondContact N-O 3.39Å |
| 136 | S | 92.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 48% | 0.483 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -72.1 | -23.1 | 171.3 | 36.2 | 0 | 0 | 0 | 0 | 112.7 | S70 F87 P161 | S70-S136 WeakPolarHBondContact CB-OG 3.41Å; S70-S136 PolarHBondContact OG-OG 2.93Å; F87-S136 WeakPolarHBondContact CE1-O 3.23Å; S136-P161 VanDerWaalsContact O-CD 3.23Å; S136-P161 WeakPolarHBondContact O-CD 3.37Å; S136-P161 WeakPolarHBondContact O-CG 3.17Å |
| 137 | D | 94.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -127.4 | 171.9 | 166.8 | 54.3 | 32.4 | 0 | 0 | 0 | 109.6 | S70 N134 Q135 I159 Y160 | S70-D137 VanDerWaalsContact CB-CG 3.47Å; S70-D137 VanDerWaalsContact CB-OD1 3.28Å; S70-D137 WeakPolarHBondContact CB-OD1 3.37Å; S70-D137 VanDerWaalsContact CB-OD2 3.24Å; S70-D137 WeakPolarHBondContact CB-OD2 3.3Å; S70-D137 PolarHBondContact N-OD1 2.86Å; S70-D137 PolarHBondContact N-OD2 3.26Å; S70-D137 VanDerWaalsContact OG-CG 3.27Å; S70-D137 PolarHBondContact OG-OD2 3.16Å; N134-D137 WeakPolarHBondContact CA-O 3.35Å; Q135-D137 VanDerWaalsContact C-N 3.28Å; Q135-D137 CarbonylContact C-O 3.52Å; Q135-D137 PolarHBondContact N-O 3.39Å; D137-I159 WeakPolarHBondContact CA-O 3.39Å; D137-I159 WeakPolarHBondContact CB-O 3.35Å; D137-Y160 HydrophobicContact CB-CD1 4.03Å; D137-Y160 HydrophobicContact CB-CE1 4.14Å |
| 138 | I | 96.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.8 | 167.3 | -59.2 | 169.8 | 0 | 0 | 0 | 107.1 | I83 P85 F87 L99 A133 L158 I159 | I83-I138 HydrophobicContact CD1-CG2 4.42Å; P85-I138 HydrophobicContact CB-CD1 3.91Å; P85-I138 HydrophobicContact CG-CD1 3.96Å; F87-I138 HydrophobicContact CE1-CD1 4.49Å; F87-I138 HydrophobicContact CE1-CG1 4.06Å; F87-I138 HydrophobicContact CZ-CD1 4.04Å; F87-I138 HydrophobicContact CZ-CG1 3.88Å; L99-I138 HydrophobicContact CD1-CD1 3.59Å; L99-I138 HydrophobicContact CD1-CG2 4.26Å; A133-I138 CarbonylContact O-C 3.6Å; A133-I138 WeakPolarHBondContact O-CA 3.22Å; I138-L158 CarbonylContact O-C 3.51Å; I138-L158 WeakPolarHBondContact O-CA 3.1Å; I138-I159 HydrophobicContact CB-CB 4.26Å; I138-I159 PolarHBondContact N-O 2.87Å; I138-I159 PolarHBondContact O-N 2.8Å |
| 139 | A | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V69 F73 I132 A133 L156 Y157 L158 | V69-A139 HydrophobicContact CB-CB 4.41Å; V69-A139 HydrophobicContact CG1-CB 3.46Å; V69-A139 VanDerWaalsContact CG1-CB 3.46Å; V69-A139 HydrophobicContact CG2-CB 4.15Å; F73-A139 HydrophobicContact CE1-CB 3.68Å; F73-A139 HydrophobicContact CZ-CB 3.82Å; I132-A139 CarbonylContact C-O 3.56Å; I132-A139 WeakPolarHBondContact CA-O 3.02Å; A133-A139 HydrophobicContact CB-CB 4.07Å; A133-A139 PolarHBondContact N-O 2.86Å; A133-A139 PolarHBondContact O-N 2.94Å; A139-L156 HydrophobicContact CB-CD1 4.24Å; A139-Y157 CarbonylContact C-O 3.49Å; A139-Y157 VanDerWaalsContact CA-O 3.28Å; A139-Y157 WeakPolarHBondContact CA-O 3.27Å; A139-L158 HydrophobicContact CB-CD2 3.49Å; A139-L158 VanDerWaalsContact CB-CD2 3.49Å; A139-L158 HydrophobicContact CB-CG 4.47Å |
| 140 | V | 96.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.4 | 173.4 | -173.3 | 0 | 0 | 0 | 0 | 109 | I101 F130 D131 W142 L156 Y157 | I101-V140 HydrophobicContact CD1-CG2 4.01Å; I101-V140 HydrophobicContact CG1-CG2 4.18Å; I101-V140 HydrophobicContact CG2-CG1 3.59Å; I101-V140 HydrophobicContact CG2-CG2 4.18Å; F130-V140 HydrophobicContact CD2-CG1 4Å; D131-V140 CarbonylContact O-C 3.55Å; D131-V140 WeakPolarHBondContact O-CA 3.5Å; V140-W142 HydrophobicContact CB-CE3 4.42Å; V140-W142 HydrophobicContact CB-CH2 3.78Å; V140-W142 HydrophobicContact CB-CZ2 4.32Å; V140-W142 HydrophobicContact CB-CZ3 3.82Å; V140-W142 HydrophobicContact CG1-CD2 3.92Å; V140-W142 HydrophobicContact CG1-CE3 3.87Å; V140-W142 HydrophobicContact CG1-CH2 3.41Å; V140-W142 VanDerWaalsContact CG1-CH2 3.41Å; V140-W142 HydrophobicContact CG1-CZ2 3.45Å; V140-W142 VanDerWaalsContact CG1-CZ2 3.45Å; V140-W142 HydrophobicContact CG1-CZ3 3.6Å; V140-L156 CarbonylContact O-C 3.56Å; V140-L156 WeakPolarHBondContact O-CA 3.45Å; V140-Y157 PolarHBondContact N-O 3.32Å; V140-Y157 PolarHBondContact O-N 3.06Å |
| 141 | A | 95.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F73 F130 D131 V155 L156 | F73-A141 HydrophobicContact CE1-CB 4.48Å; F73-A141 HydrophobicContact CZ-CB 4.5Å; F130-A141 WeakPolarHBondContact CA-O 3.02Å; F130-A141 VanDerWaalsContact CB-O 3.32Å; F130-A141 WeakPolarHBondContact CB-O 3.38Å; D131-A141 HydrophobicContact CB-CB 4.15Å; D131-A141 PolarHBondContact N-O 2.78Å; D131-A141 PolarHBondContact O-N 2.86Å; A141-V155 CarbonylContact C-O 3.59Å; A141-V155 VanDerWaalsContact CA-O 3.25Å; A141-V155 WeakPolarHBondContact CA-O 3.22Å; A141-L156 HydrophobicContact CB-CD1 4.15Å |
| 142 | W | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.8 | 171.5 | -63.1 | -97 | 0 | 0 | 0 | 110 | I101 L102 I107 I120 F126 F130 V140 S154 V155 | I101-W142 HydrophobicContact CG2-CH2 4.37Å; I101-W142 HydrophobicContact CG2-CZ2 3.6Å; L102-W142 PolarHBondContact O-NE1 3.03Å; I107-W142 HydrophobicContact CD1-CH2 3.88Å; I107-W142 HydrophobicContact CG1-CH2 3.7Å; I107-W142 HydrophobicContact CG1-CZ2 4.19Å; I120-W142 HydrophobicContact CD1-CZ3 4.34Å; I120-W142 HydrophobicContact CG1-CE3 4.41Å; I120-W142 HydrophobicContact CG1-CH2 4.21Å; I120-W142 HydrophobicContact CG1-CZ3 3.92Å; F126-W142 HydrophobicContact CD1-CB 3.5Å; F126-W142 VanDerWaalsContact CD1-CB 3.5Å; F126-W142 HydrophobicContact CD1-CG 4.35Å; F126-W142 HydrophobicContact CE1-CB 3.79Å; F126-W142 HydrophobicContact CG-CB 4.04Å; F126-W142 HydrophobicContact CG-CG 4.48Å; F130-W142 HydrophobicContact CB-CG 4.31Å; V140-W142 HydrophobicContact CB-CE3 4.42Å; V140-W142 HydrophobicContact CB-CH2 3.78Å; V140-W142 HydrophobicContact CB-CZ2 4.32Å; V140-W142 HydrophobicContact CB-CZ3 3.82Å; V140-W142 HydrophobicContact CG1-CD2 3.92Å; V140-W142 HydrophobicContact CG1-CE3 3.87Å; V140-W142 HydrophobicContact CG1-CH2 3.41Å; V140-W142 VanDerWaalsContact CG1-CH2 3.41Å; V140-W142 HydrophobicContact CG1-CZ2 3.45Å; V140-W142 VanDerWaalsContact CG1-CZ2 3.45Å; V140-W142 HydrophobicContact CG1-CZ3 3.6Å; W142-S154 VanDerWaalsContact O-CA 3.27Å; W142-S154 WeakPolarHBondContact O-CA 3.5Å; W142-V155 PolarHBondContact N-O 2.93Å; W142-V155 PolarHBondContact O-N 2.94Å |
| 143 | H | 93.8 | Very high | 91.8 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.4 | 172.6 | -56.7 | -77.3 | 0 | 0 | 0 | 108.9 | F126 E127 D131 G153 | F126-H143 CarbonylContact C-O 3.57Å; F126-H143 WeakPolarHBondContact CA-O 3.38Å; E127-H143 HydrophobicContact CG-CB 4.26Å; E127-H143 PolarHBondContact N-O 2.54Å; D131-H143 IonicContact OD2-CD2 3.69Å; D131-H143 IonicContact OD2-CE1 3.16Å; D131-H143 IonicContact OD2-NE2 2.88Å; D131-H143 PolarHBondContact OD2-NE2 2.9Å; H143-G153 CarbonylContact C-O 3.47Å; H143-G153 WeakPolarHBondContact CA-O 3.49Å |
| 144 | V | 91.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.3 | 177 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | I124 F126 Q146 Y149 G153 I173 | I124-V144 HydrophobicContact CG2-CG1 4.3Å; I124-V144 HydrophobicContact CG2-CG2 4.07Å; F126-V144 HydrophobicContact CD1-CG2 4.32Å; F126-V144 HydrophobicContact CE1-CG2 4.22Å; V144-Q146 PolarHBondContact O-N 2.69Å; V144-Y149 HydrophobicContact CG1-CD2 3.44Å; V144-Y149 VanDerWaalsContact CG1-CD2 3.44Å; V144-Y149 HydrophobicContact CG1-CE2 4.31Å; V144-Y149 HydrophobicContact CG1-CG 4Å; V144-G153 WeakPolarHBondContact CG2-O 3.48Å; V144-G153 PolarHBondContact N-O 3.38Å; V144-I173 HydrophobicContact CB-CD1 4.01Å; V144-I173 HydrophobicContact CG1-CD1 3.25Å; V144-I173 HydrophobicContact CG2-CD1 4.01Å |
| 145 | N | 91 | Very high | 91.6 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | trans | -59.6 | 107.6 | 176.5 | -172.1 | -32.4 | 0 | 0 | 0 | 111.9 | A125 N147 R148 Y149 | A125-N145 HydrophobicContact CB-CB 4.31Å; A125-N145 VanDerWaalsContact O-CB 3.28Å; A125-N145 WeakPolarHBondContact O-CB 3.21Å; A125-N145 PolarHBondContact O-N 3.27Å; N145-N147 PolarHBondContact O-N 3.26Å; N145-N147 VanDerWaalsContact OD1-CB 3.29Å; N145-N147 WeakPolarHBondContact OD1-CB 3.45Å; N145-N147 PolarHBondContact OD1-N 3.17Å; N145-R148 PolarHBondContact O-N 2.81Å; N145-R148 VanDerWaalsContact O-N 3.1Å; N145-Y149 PolarHBondContact O-N 3.13Å | ||
| 146 | Q | 89.5 | Confident | 91.8 | Very high | 117 Ų | 117 | 43.7 Ų | 43.7 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.8 | -176.9 | -64.2 | -175.8 | -5.1 | 0 | 0 | 114.1 | V144 R148 Y149 P150 | V144-Q146 PolarHBondContact O-N 2.69Å; Q146-R148 VanDerWaalsContact C-N 3.25Å; Q146-R148 PolarHBondContact O-N 2.88Å; Q146-Y149 WeakPolarHBondContact CA-O 3.48Å; Q146-Y149 CarbonylContact O-C 3.4Å; Q146-P150 WeakPolarHBondContact O-CA 3.41Å |
| 147 | N | 90 | Very high | 91.9 | Very high | 161 Ų | 161 | 40.5 Ų | 40.5 | 86% | 0.861 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -29.7 | 174.2 | -62.7 | -27.7 | 0 | 0 | 0 | 111.7 | N145 | N145-N147 PolarHBondContact O-N 3.26Å; N145-N147 VanDerWaalsContact OD1-CB 3.29Å; N145-N147 WeakPolarHBondContact OD1-CB 3.45Å; N145-N147 PolarHBondContact OD1-N 3.17Å |
| 148 | R | 86 | Confident | 92 | Very high | 158 Ų | 158 | 40.5 Ų | 40.5 | 60% | 0.596 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -34.1 | 177.3 | -170.2 | 172.8 | -178.7 | 162.8 | -0.3 | 112.1 | N145 Q146 | N145-R148 PolarHBondContact O-N 2.81Å; N145-R148 VanDerWaalsContact O-N 3.1Å; Q146-R148 VanDerWaalsContact C-N 3.25Å; Q146-R148 PolarHBondContact O-N 2.88Å |
| 149 | Y | 86.4 | Confident | 92 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 11% | 0.106 | 21% | 0.208 | C | C | . | . | trans | -133.5 | 90.6 | -178.6 | -54.9 | -77.5 | 0 | 0 | 0 | 109.8 | A125 V144 N145 Q146 E151 G152 I173 F176 | A125-Y149 HydrophobicContact CB-CE2 4.22Å; V144-Y149 HydrophobicContact CG1-CD2 3.44Å; V144-Y149 VanDerWaalsContact CG1-CD2 3.44Å; V144-Y149 HydrophobicContact CG1-CE2 4.31Å; V144-Y149 HydrophobicContact CG1-CG 4Å; N145-Y149 PolarHBondContact O-N 3.13Å; Q146-Y149 WeakPolarHBondContact CA-O 3.48Å; Q146-Y149 CarbonylContact O-C 3.4Å; Y149-E151 PolarHBondContact O-N 3.01Å; Y149-E151 VanDerWaalsContact O-N 3.09Å; Y149-G152 PolarHBondContact O-N 2.96Å; Y149-I173 HydrophobicContact CD1-CD1 4.02Å; Y149-I173 HydrophobicContact CD1-CG2 4.1Å; Y149-I173 HydrophobicContact CD2-CD1 3.98Å; Y149-I173 HydrophobicContact CG-CD1 3.53Å; Y149-I173 HydrophobicContact CG-CG2 4.49Å; Y149-F176 HydrophobicContact CD1-CE1 4.44Å; Y149-F176 HydrophobicContact CE1-CD1 4.44Å; Y149-F176 HydrophobicContact CE1-CE1 4.02Å; Y149-F176 HydrophobicContact CE2-CE1 4.38Å; Y149-F176 AromaticContact CZ-CE1 3.98Å | ||
| 150 | P | 86.8 | Confident | 92 | Very high | 108 Ų | 108 | 43.1 Ų | 43.1 | 70% | 0.701 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.7 | -173.3 | -27.7 | 36 | 0 | 0 | 0 | 114.6 | Q146 G152 | Q146-P150 WeakPolarHBondContact O-CA 3.41Å; P150-G152 PolarHBondContact O-N 3.2Å |
| 151 | E | 85.9 | Confident | 91.9 | Very high | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.1 | 174.7 | -63.3 | -167.8 | 157.2 | 0 | 0 | 112.5 | Y149 K171 | Y149-E151 PolarHBondContact O-N 3.01Å; Y149-E151 VanDerWaalsContact O-N 3.09Å; E151-K171 WeakPolarHBondContact O-CE 3.36Å; E151-K171 PolarHBondContact O-NZ 2.9Å |
| 152 | G | 88.3 | Confident | 91.8 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | 63.6 | 179.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y149 P150 | Y149-G152 PolarHBondContact O-N 2.96Å; P150-G152 PolarHBondContact O-N 3.2Å | ||
| 153 | G | 89.8 | Confident | 91.8 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | trans | 179.8 | 158.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | H143 V144 | H143-G153 CarbonylContact C-O 3.47Å; H143-G153 WeakPolarHBondContact CA-O 3.49Å; V144-G153 WeakPolarHBondContact CG2-O 3.48Å; V144-G153 PolarHBondContact N-O 3.38Å | ||
| 154 | S | 92.5 | Very high | 91.9 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 148.9 | 176.5 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | W142 E170 | W142-S154 VanDerWaalsContact O-CA 3.27Å; W142-S154 WeakPolarHBondContact O-CA 3.5Å; S154-E170 PolarHBondContact O-N 3.31Å; S154-E170 VanDerWaalsContact O-N 3.13Å; S154-E170 VanDerWaalsContact OG-CB 3.24Å; S154-E170 WeakPolarHBondContact OG-CB 3.36Å |
| 155 | V | 93.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 131 | 176 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | I120 F121 F126 A141 W142 I167 Y168 I169 | I120-V155 HydrophobicContact CG2-CB 3.95Å; I120-V155 HydrophobicContact CG2-CG1 3.45Å; I120-V155 VanDerWaalsContact CG2-CG1 3.45Å; I120-V155 HydrophobicContact CG2-CG2 4Å; F121-V155 HydrophobicContact CD2-CG2 4.06Å; F121-V155 HydrophobicContact CE2-CG2 3.67Å; F126-V155 HydrophobicContact CE1-CG2 4.37Å; A141-V155 CarbonylContact C-O 3.59Å; A141-V155 VanDerWaalsContact CA-O 3.25Å; A141-V155 WeakPolarHBondContact CA-O 3.22Å; W142-V155 PolarHBondContact N-O 2.93Å; W142-V155 PolarHBondContact O-N 2.94Å; V155-I167 HydrophobicContact CG1-CG2 3.87Å; V155-Y168 CarbonylContact C-O 3.56Å; V155-Y168 WeakPolarHBondContact CA-O 3.3Å; V155-Y168 WeakPolarHBondContact CG1-O 3.05Å; V155-I169 HydrophobicContact CG1-CG1 3.89Å; V155-I169 HydrophobicContact CG2-CG1 4.12Å; V155-I169 HydrophobicContact CG2-CG2 4.24Å |
| 156 | L | 95.3 | Very high | 92.4 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.6 | 174.9 | 171.6 | 63.9 | 0 | 0 | 0 | 109.1 | P67 V69 F73 A139 V140 A141 L158 Y168 | P67-L156 HydrophobicContact CG-CD2 3.87Å; V69-L156 HydrophobicContact CG2-CD1 4.1Å; V69-L156 HydrophobicContact CG2-CD2 3.8Å; F73-L156 HydrophobicContact CE1-CD1 4.46Å; F73-L156 HydrophobicContact CZ-CD1 3.81Å; A139-L156 HydrophobicContact CB-CD1 4.24Å; V140-L156 CarbonylContact O-C 3.56Å; V140-L156 WeakPolarHBondContact O-CA 3.45Å; A141-L156 HydrophobicContact CB-CD1 4.15Å; L156-L158 HydrophobicContact CD1-CG 4.46Å; L156-L158 HydrophobicContact CD2-CD1 4.22Å; L156-L158 HydrophobicContact CG-CD1 4.46Å; L156-L158 HydrophobicContact CG-CG 4.33Å; L156-Y168 PolarHBondContact N-O 2.96Å; L156-Y168 PolarHBondContact O-N 3.44Å |
| 157 | Y | 95.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.9 | 171.6 | -163 | -90.4 | 0 | 0 | 0 | 110 | I107 I118 I120 A139 V140 I159 M165 F166 I167 | I107-Y157 HydrophobicContact CD1-CD1 3.52Å; I107-Y157 HydrophobicContact CD1-CE1 3.92Å; I107-Y157 HydrophobicContact CD1-CG 3.98Å; I118-Y157 HydrophobicContact CD1-CE1 3.65Å; I118-Y157 HydrophobicContact CD1-CE2 4.36Å; I118-Y157 VanDerWaalsContact CD1-CZ 3.48Å; I118-Y157 WeakPolarHBondContact CD1-OH 3.36Å; I118-Y157 WeakPolarHBondContact CG1-OH 3.34Å; I118-Y157 HydrophobicContact CG2-CD2 4.14Å; I118-Y157 HydrophobicContact CG2-CE2 3.45Å; I118-Y157 VanDerWaalsContact CG2-CE2 3.45Å; I120-Y157 HydrophobicContact CD1-CD2 3.44Å; I120-Y157 VanDerWaalsContact CD1-CD2 3.44Å; I120-Y157 HydrophobicContact CD1-CE2 4.05Å; I120-Y157 HydrophobicContact CD1-CG 4.22Å; A139-Y157 CarbonylContact C-O 3.49Å; A139-Y157 VanDerWaalsContact CA-O 3.28Å; A139-Y157 WeakPolarHBondContact CA-O 3.27Å; V140-Y157 PolarHBondContact N-O 3.32Å; V140-Y157 PolarHBondContact O-N 3.06Å; Y157-I159 HydrophobicContact CD1-CD1 4.28Å; Y157-I159 HydrophobicContact CD1-CG1 3.85Å; Y157-I159 HydrophobicContact CE1-CD1 3.88Å; Y157-I159 HydrophobicContact CE1-CG1 3.43Å; Y157-I159 VanDerWaalsContact CE1-CG1 3.43Å; Y157-M165 HydrophobicContact CE1-CB 4.22Å; Y157-M165 HydrophobicContact CE1-CG 4.5Å; Y157-M165 WeakPolarHBondContact OH-CB 3.33Å; Y157-M165 PolarHBondContact OH-SD 2.93Å; Y157-F166 CarbonylContact C-O 3.52Å; Y157-F166 WeakPolarHBondContact CA-O 3.35Å; Y157-I167 HydrophobicContact CD2-CB 4.38Å; Y157-I167 HydrophobicContact CD2-CD1 3.99Å; Y157-I167 HydrophobicContact CD2-CG1 3.6Å; Y157-I167 HydrophobicContact CE2-CD1 3.65Å; Y157-I167 HydrophobicContact CE2-CG1 3.44Å; Y157-I167 VanDerWaalsContact CE2-CG1 3.44Å |
| 158 | L | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.4 | 179.3 | -75.8 | 161 | 0 | 0 | 0 | 110.5 | P67 V69 I138 A139 L156 Y160 M165 F166 | P67-L158 HydrophobicContact CB-CD1 3.6Å; P67-L158 HydrophobicContact CG-CD1 3.39Å; V69-L158 HydrophobicContact CG2-CD2 4.08Å; I138-L158 CarbonylContact O-C 3.51Å; I138-L158 WeakPolarHBondContact O-CA 3.1Å; A139-L158 HydrophobicContact CB-CD2 3.49Å; A139-L158 VanDerWaalsContact CB-CD2 3.49Å; A139-L158 HydrophobicContact CB-CG 4.47Å; L156-L158 HydrophobicContact CD1-CG 4.46Å; L156-L158 HydrophobicContact CD2-CD1 4.22Å; L156-L158 HydrophobicContact CG-CD1 4.46Å; L156-L158 HydrophobicContact CG-CG 4.33Å; L158-Y160 HydrophobicContact CB-CE2 4.16Å; L158-M165 CarbonylContact O-C 3.59Å; L158-M165 WeakPolarHBondContact O-CA 3.4Å; L158-F166 HydrophobicContact CB-CB 4.21Å; L158-F166 PolarHBondContact N-O 2.96Å; L158-F166 PolarHBondContact O-N 2.8Å |
| 159 | I | 96.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.9 | 172.8 | -55.4 | 168.7 | 0 | 0 | 0 | 108.6 | L89 L99 D137 I138 Y157 M165 | L89-I159 HydrophobicContact CD1-CG2 3.53Å; L89-I159 HydrophobicContact CD2-CG2 3.79Å; L89-I159 HydrophobicContact CG-CG2 4.33Å; L99-I159 HydrophobicContact CD1-CD1 3.7Å; D137-I159 WeakPolarHBondContact CA-O 3.39Å; D137-I159 WeakPolarHBondContact CB-O 3.35Å; I138-I159 HydrophobicContact CB-CB 4.26Å; I138-I159 PolarHBondContact N-O 2.87Å; I138-I159 PolarHBondContact O-N 2.8Å; Y157-I159 HydrophobicContact CD1-CD1 4.28Å; Y157-I159 HydrophobicContact CD1-CG1 3.85Å; Y157-I159 HydrophobicContact CE1-CD1 3.88Å; Y157-I159 HydrophobicContact CE1-CG1 3.43Å; Y157-I159 VanDerWaalsContact CE1-CG1 3.43Å; I159-M165 HydrophobicContact CG1-CG 4.25Å; I159-M165 HydrophobicContact CG2-CG 4.36Å |
| 160 | Y | 95.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 30.8 Ų | 30.8 | 21% | 0.212 | 17% | 0.167 | C | C | . | . | trans | -95.8 | 157.9 | 178.1 | -66.7 | -78.5 | 0 | 0 | 0 | 112 | D137 L158 N162 G163 K164 F166 | D137-Y160 HydrophobicContact CB-CD1 4.03Å; D137-Y160 HydrophobicContact CB-CE1 4.14Å; L158-Y160 HydrophobicContact CB-CE2 4.16Å; Y160-N162 VanDerWaalsContact CB-OD1 3.28Å; Y160-N162 WeakPolarHBondContact CB-OD1 3.44Å; Y160-N162 PolarHBondContact O-N 3.07Å; Y160-G163 PolarHBondContact O-N 3.31Å; Y160-K164 HydrophobicContact CD2-CB 4.16Å; Y160-K164 PolarHBondContact N-O 3.06Å; Y160-F166 HydrophobicContact CE2-CD1 4.28Å; Y160-F166 AromaticContact CE2-CD2 3.93Å; Y160-F166 HydrophobicContact CE2-CD2 3.93Å; Y160-F166 HydrophobicContact CE2-CE1 4.25Å; Y160-F166 AromaticContact CE2-CE2 3.95Å; Y160-F166 HydrophobicContact CE2-CE2 3.95Å; Y160-F166 HydrophobicContact CE2-CG 4.11Å; Y160-F166 HydrophobicContact CE2-CZ 4.11Å | ||
| 161 | P | 94.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 40% | 0.396 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.9 | 179.7 | -26.7 | 35.2 | 0 | 0 | 0 | 115.1 | F87 S136 G163 | F87-P161 HydrophobicContact CB-CB 4.3Å; F87-P161 HydrophobicContact CB-CG 4.35Å; F87-P161 HydrophobicContact CD1-CG 4Å; F87-P161 VanDerWaalsContact CD2-CA 3.49Å; F87-P161 HydrophobicContact CD2-CB 3.7Å; F87-P161 HydrophobicContact CD2-CG 3.86Å; F87-P161 HydrophobicContact CE1-CG 4.21Å; F87-P161 HydrophobicContact CE2-CB 4.13Å; F87-P161 HydrophobicContact CE2-CG 4.07Å; F87-P161 HydrophobicContact CG-CB 3.98Å; F87-P161 HydrophobicContact CG-CG 3.81Å; F87-P161 HydrophobicContact CZ-CG 4.23Å; S136-P161 VanDerWaalsContact O-CD 3.23Å; S136-P161 WeakPolarHBondContact O-CD 3.37Å; S136-P161 WeakPolarHBondContact O-CG 3.17Å; P161-G163 PolarHBondContact O-N 3.33Å |
| 162 | N | 93.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 26.8 Ų | 26.8 | 56% | 0.556 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -0.1 | 176.5 | 64.4 | -1.8 | 0 | 0 | 0 | 113.6 | Y160 K164 | Y160-N162 VanDerWaalsContact CB-OD1 3.28Å; Y160-N162 WeakPolarHBondContact CB-OD1 3.44Å; Y160-N162 PolarHBondContact O-N 3.07Å; N162-K164 VanDerWaalsContact C-N 3.34Å; N162-K164 WeakPolarHBondContact OD1-CB 3.45Å; N162-K164 WeakPolarHBondContact OD1-CG 3.33Å; N162-K164 PolarHBondContact OD1-N 2.81Å |
| 163 | G | 94.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 84.8 | 1.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y160 P161 P223 | Y160-G163 PolarHBondContact O-N 3.31Å; P161-G163 PolarHBondContact O-N 3.33Å; G163-P223 WeakPolarHBondContact O-CD 3.5Å; G163-P223 WeakPolarHBondContact O-CG 2.95Å |
| 164 | K | 96.2 | Very high | 91.8 | Very high | 42 Ų | 42 | 35.1 Ų | 35.1 | 18% | 0.183 | 17% | 0.171 | C | C | . | . | trans | -64.3 | 138.7 | 167.2 | -70.6 | -170.3 | 177.8 | -134.8 | 0 | 109.7 | Y160 N162 F166 E220 F221 E222 | Y160-K164 HydrophobicContact CD2-CB 4.16Å; Y160-K164 PolarHBondContact N-O 3.06Å; N162-K164 VanDerWaalsContact C-N 3.34Å; N162-K164 WeakPolarHBondContact OD1-CB 3.45Å; N162-K164 WeakPolarHBondContact OD1-CG 3.33Å; N162-K164 PolarHBondContact OD1-N 2.81Å; K164-F166 HydrophobicContact CB-CE1 4.36Å; K164-E220 IonicContact NZ-OE1 3.07Å; K164-E220 PolarHBondContact NZ-OE1 3.11Å; K164-F221 WeakPolarHBondContact CA-O 3.27Å; K164-E222 WeakPolarHBondContact CE-OE1 3Å; K164-E222 HydrophobicContact CG-CB 4.3Å; K164-E222 HydrophobicContact CG-CG 4.28Å; K164-E222 IonicContact NZ-OE1 2.73Å; K164-E222 PolarHBondContact NZ-OE1 2.96Å; K164-E222 IonicContact NZ-OE2 3.66Å; K164-E222 PolarHBondContact NZ-OE2 2.85Å | ||
| 165 | M | 96.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.5 | 179.4 | -57.1 | 172.2 | -63.8 | 0 | 0 | 110.3 | Y56 Y91 I118 Y157 L158 I159 I185 F221 | Y56-M165 HydrophobicContact CD1-CE 4.21Å; Y56-M165 HydrophobicContact CE1-CE 3.54Å; Y91-M165 HydrophobicContact CD2-CE 4.2Å; Y91-M165 HydrophobicContact CD2-SD 3.88Å; Y91-M165 HydrophobicContact CE2-CE 3.93Å; Y91-M165 HydrophobicContact CE2-SD 3.88Å; I118-M165 HydrophobicContact CD1-SD 4.36Å; Y157-M165 HydrophobicContact CE1-CB 4.22Å; Y157-M165 HydrophobicContact CE1-CG 4.5Å; Y157-M165 WeakPolarHBondContact OH-CB 3.33Å; Y157-M165 PolarHBondContact OH-SD 2.93Å; L158-M165 CarbonylContact O-C 3.59Å; L158-M165 WeakPolarHBondContact O-CA 3.4Å; I159-M165 HydrophobicContact CG1-CG 4.25Å; I159-M165 HydrophobicContact CG2-CG 4.36Å; M165-I185 HydrophobicContact CE-CD1 3.69Å; M165-F221 HydrophobicContact CB-CB 4.42Å; M165-F221 HydrophobicContact CE-CB 3.93Å; M165-F221 PolarHBondContact N-O 3.03Å; M165-F221 PolarHBondContact O-N 2.85Å |
| 166 | F | 96.5 | Very high | 89 | Confident | 32 Ų | 32 | 41 Ų | 41 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.9 | 178.6 | -63.2 | 0.5 | 0 | 0 | 0 | 111 | P67 Y157 L158 Y160 K164 L218 V219 E220 | P67-F166 HydrophobicContact CB-CD2 4.3Å; Y157-F166 CarbonylContact C-O 3.52Å; Y157-F166 WeakPolarHBondContact CA-O 3.35Å; L158-F166 HydrophobicContact CB-CB 4.21Å; L158-F166 PolarHBondContact N-O 2.96Å; L158-F166 PolarHBondContact O-N 2.8Å; Y160-F166 HydrophobicContact CE2-CD1 4.28Å; Y160-F166 AromaticContact CE2-CD2 3.93Å; Y160-F166 HydrophobicContact CE2-CD2 3.93Å; Y160-F166 HydrophobicContact CE2-CE1 4.25Å; Y160-F166 AromaticContact CE2-CE2 3.95Å; Y160-F166 HydrophobicContact CE2-CE2 3.95Å; Y160-F166 HydrophobicContact CE2-CG 4.11Å; Y160-F166 HydrophobicContact CE2-CZ 4.11Å; K164-F166 HydrophobicContact CB-CE1 4.36Å; F166-L218 HydrophobicContact CB-CD1 4.04Å; F166-L218 HydrophobicContact CD2-CD1 4.03Å; F166-L218 HydrophobicContact CG-CD1 4.27Å; F166-V219 CarbonylContact C-O 3.47Å; F166-V219 VanDerWaalsContact CA-O 3.24Å; F166-V219 WeakPolarHBondContact CA-O 3.39Å; F166-E220 HydrophobicContact CD1-CB 3.75Å; F166-E220 HydrophobicContact CD1-CG 3.9Å; F166-E220 HydrophobicContact CE1-CB 3.71Å; F166-E220 HydrophobicContact CE1-CG 3.44Å; F166-E220 VanDerWaalsContact CE1-CG 3.44Å; F166-E220 HydrophobicContact CZ-CG 4.32Å |
| 167 | I | 95.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119 | 166.1 | -43.6 | -163 | 0 | 0 | 0 | 107 | I120 V155 Y157 I169 I208 L218 V219 F221 | I120-I167 HydrophobicContact CD1-CD1 4.14Å; I120-I167 HydrophobicContact CD1-CG2 4.36Å; V155-I167 HydrophobicContact CG1-CG2 3.87Å; Y157-I167 HydrophobicContact CD2-CB 4.38Å; Y157-I167 HydrophobicContact CD2-CD1 3.99Å; Y157-I167 HydrophobicContact CD2-CG1 3.6Å; Y157-I167 HydrophobicContact CE2-CD1 3.65Å; Y157-I167 HydrophobicContact CE2-CG1 3.44Å; Y157-I167 VanDerWaalsContact CE2-CG1 3.44Å; I167-I169 HydrophobicContact CG2-CG1 4.29Å; I167-I208 HydrophobicContact CD1-CD1 4.08Å; I167-L218 CarbonylContact O-C 3.57Å; I167-L218 WeakPolarHBondContact O-CA 3.27Å; I167-V219 HydrophobicContact CB-CB 4.31Å; I167-V219 PolarHBondContact N-O 2.85Å; I167-V219 PolarHBondContact O-N 3.5Å; I167-F221 HydrophobicContact CD1-CE2 3.82Å; I167-F221 HydrophobicContact CG1-CE2 4Å |
| 168 | Y | 95.8 | Very high | 85.9 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.3 | 173.4 | -179.1 | -101 | 0 | 0 | 0 | 109.5 | Q64 P66 P67 V155 L156 E170 I217 L218 | Q64-Y168 HydrophobicContact CB-CE2 4.35Å; Q64-Y168 WeakPolarHBondContact O-CE2 3.17Å; Q64-Y168 PolarHBondContact O-OH 3.05Å; P66-Y168 HydrophobicContact CB-CD1 4.25Å; P66-Y168 HydrophobicContact CB-CE1 3.81Å; P66-Y168 HydrophobicContact CG-CE1 3.73Å; P67-Y168 HydrophobicContact CG-CG 4.43Å; V155-Y168 CarbonylContact C-O 3.56Å; V155-Y168 WeakPolarHBondContact CA-O 3.3Å; V155-Y168 WeakPolarHBondContact CG1-O 3.05Å; L156-Y168 PolarHBondContact N-O 2.96Å; L156-Y168 PolarHBondContact O-N 3.44Å; Y168-E170 HydrophobicContact CE1-CB 3.96Å; Y168-E170 VanDerWaalsContact CE1-OE2 3.26Å; Y168-E170 WeakPolarHBondContact CE1-OE2 3.39Å; Y168-E170 PolarHBondContact OH-OE2 3Å; Y168-I217 WeakPolarHBondContact CA-O 3.37Å; Y168-I217 WeakPolarHBondContact CD2-O 3.42Å; Y168-L218 HydrophobicContact CD2-CB 4.23Å; Y168-L218 HydrophobicContact CD2-CD1 4.15Å |
| 169 | I | 93.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 106.8 | 176.2 | -55.5 | 148.8 | 0 | 0 | 0 | 107.2 | F121 V155 I167 V172 I213 R216 I217 | F121-I169 HydrophobicContact CE1-CD1 4.31Å; F121-I169 HydrophobicContact CE2-CD1 3.94Å; F121-I169 HydrophobicContact CE2-CG1 3.97Å; F121-I169 HydrophobicContact CE2-CG2 4.32Å; F121-I169 HydrophobicContact CZ-CD1 3.38Å; F121-I169 HydrophobicContact CZ-CG1 3.93Å; F121-I169 HydrophobicContact CZ-CG2 4.37Å; V155-I169 HydrophobicContact CG1-CG1 3.89Å; V155-I169 HydrophobicContact CG2-CG1 4.12Å; V155-I169 HydrophobicContact CG2-CG2 4.24Å; I167-I169 HydrophobicContact CG2-CG1 4.29Å; I169-V172 HydrophobicContact CG2-CG2 3.54Å; I169-I213 HydrophobicContact CD1-CG2 4.49Å; I169-R216 VanDerWaalsContact O-CA 3.29Å; I169-R216 WeakPolarHBondContact O-CA 3.36Å; I169-R216 PolarHBondContact O-N 3.19Å; I169-I217 HydrophobicContact CB-CG2 3.63Å; I169-I217 HydrophobicContact CD1-CG2 3.47Å; I169-I217 VanDerWaalsContact CD1-CG2 3.47Å; I169-I217 HydrophobicContact CG1-CG2 3.96Å; I169-I217 PolarHBondContact N-O 2.78Å; I169-I217 PolarHBondContact O-N 2.81Å |
| 170 | E | 92.5 | Very high | 83.1 | Confident | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -63.8 | -50.8 | -179.8 | 177.7 | 70.1 | -139.9 | 0 | 0 | 110 | S154 Y168 S215 R216 | S154-E170 PolarHBondContact O-N 3.31Å; S154-E170 VanDerWaalsContact O-N 3.13Å; S154-E170 VanDerWaalsContact OG-CB 3.24Å; S154-E170 WeakPolarHBondContact OG-CB 3.36Å; Y168-E170 HydrophobicContact CE1-CB 3.96Å; Y168-E170 VanDerWaalsContact CE1-OE2 3.26Å; Y168-E170 WeakPolarHBondContact CE1-OE2 3.39Å; Y168-E170 PolarHBondContact OH-OE2 3Å; E170-S215 WeakPolarHBondContact O-CA 3.42Å; E170-S215 WeakPolarHBondContact O-CB 3.36Å; E170-R216 PolarHBondContact O-N 3.07Å |
| 171 | K | 88.2 | Confident | 82.1 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | trans | -141.1 | 121.3 | -175.8 | -177.2 | 178.3 | -178.3 | 179.2 | 0 | 111.4 | E151 S215 | E151-K171 WeakPolarHBondContact O-CE 3.36Å; E151-K171 PolarHBondContact O-NZ 2.9Å; K171-S215 WeakPolarHBondContact CA-OG 3.41Å | ||
| 172 | V | 80.8 | Confident | 81.6 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | trans | -90.6 | 140.1 | 169 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | I169 F176 L181 I213 K214 S215 | I169-V172 HydrophobicContact CG2-CG2 3.54Å; V172-F176 HydrophobicContact CG1-CD2 3.83Å; V172-F176 HydrophobicContact CG1-CE2 4.22Å; V172-L181 HydrophobicContact CG1-CD1 4.4Å; V172-I213 HydrophobicContact CG2-CG2 4.14Å; V172-K214 WeakPolarHBondContact CG2-O 3.5Å; V172-S215 PolarHBondContact N-OG 3.39Å | ||
| 173 | I | 77.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | trans | -84 | 129.7 | 179.2 | -47.5 | 178.5 | 0 | 0 | 0 | 107.9 | V144 Y149 E175 F176 | V144-I173 HydrophobicContact CB-CD1 4.01Å; V144-I173 HydrophobicContact CG1-CD1 3.25Å; V144-I173 HydrophobicContact CG2-CD1 4.01Å; Y149-I173 HydrophobicContact CD1-CD1 4.02Å; Y149-I173 HydrophobicContact CD1-CG2 4.1Å; Y149-I173 HydrophobicContact CD2-CD1 3.98Å; Y149-I173 HydrophobicContact CG-CD1 3.53Å; Y149-I173 HydrophobicContact CG-CG2 4.49Å; I173-E175 HydrophobicContact CG2-CB 4.22Å; I173-E175 PolarHBondContact O-N 3.15Å; I173-F176 HydrophobicContact CB-CD1 4.4Å; I173-F176 HydrophobicContact CB-CD2 3.74Å; I173-F176 HydrophobicContact CB-CE1 4.02Å; I173-F176 HydrophobicContact CB-CE2 3.36Å; I173-F176 HydrophobicContact CB-CG 4.28Å; I173-F176 HydrophobicContact CB-CZ 3.49Å; I173-F176 VanDerWaalsContact CB-CZ 3.49Å; I173-F176 HydrophobicContact CD1-CE1 3.85Å; I173-F176 HydrophobicContact CD1-CE2 3.89Å; I173-F176 HydrophobicContact CD1-CZ 3.22Å; I173-F176 HydrophobicContact CG1-CD2 4.35Å; I173-F176 HydrophobicContact CG1-CE1 4.24Å; I173-F176 HydrophobicContact CG1-CE2 3.48Å; I173-F176 VanDerWaalsContact CG1-CE2 3.48Å; I173-F176 HydrophobicContact CG1-CZ 3.38Å; I173-F176 VanDerWaalsContact N-CE2 3.33Å; I173-F176 WeakPolarHBondContact O-CD2 3.45Å; I173-F176 WeakPolarHBondContact O-CG 3.41Å; I173-F176 PolarHBondContact O-N 3.34Å | ||
| 174 | K | 67.3 | Low | 81.3 | Confident | 186 Ų | 186 | 50.9 Ų | 50.9 | 81% | 0.809 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24.8 | -176.5 | -69.2 | 179.6 | 179.5 | 175.7 | 0 | 113.1 | F176 | K174-F176 PolarHBondContact O-N 3.3Š|
| 175 | E | 60.6 | Low | 81.3 | Confident | 133 Ų | 133 | 48.9 Ų | 48.9 | 62% | 0.621 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0.6 | -176.3 | -61.4 | -175.5 | 167.8 | 0 | 0 | 114.4 | I173 D177 | I173-E175 HydrophobicContact CG2-CB 4.22Å; I173-E175 PolarHBondContact O-N 3.15Å; E175-D177 PolarHBondContact O-N 2.84Å; E175-D177 VanDerWaalsContact O-N 3.13Å |
| 176 | F | 65.4 | Low | 81.1 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | trans | -71.3 | 114.8 | 179.2 | -64.7 | -44.9 | 0 | 0 | 0 | 110.9 | I124 Y149 V172 I173 K174 E178 L181 | I124-F176 HydrophobicContact CD1-CD2 4.45Å; I124-F176 HydrophobicContact CD1-CE1 3.86Å; I124-F176 HydrophobicContact CD1-CE2 3.69Å; I124-F176 HydrophobicContact CD1-CZ 3.35Å; I124-F176 HydrophobicContact CG1-CD1 4.38Å; I124-F176 HydrophobicContact CG1-CE1 3.72Å; I124-F176 HydrophobicContact CG1-CE2 4.46Å; I124-F176 HydrophobicContact CG1-CZ 3.75Å; I124-F176 HydrophobicContact CG2-CE1 4.45Å; I124-F176 HydrophobicContact CG2-CZ 4.19Å; Y149-F176 HydrophobicContact CD1-CE1 4.44Å; Y149-F176 HydrophobicContact CE1-CD1 4.44Å; Y149-F176 HydrophobicContact CE1-CE1 4.02Å; Y149-F176 HydrophobicContact CE2-CE1 4.38Å; Y149-F176 AromaticContact CZ-CE1 3.98Å; V172-F176 HydrophobicContact CG1-CD2 3.83Å; V172-F176 HydrophobicContact CG1-CE2 4.22Å; I173-F176 HydrophobicContact CB-CD1 4.4Å; I173-F176 HydrophobicContact CB-CD2 3.74Å; I173-F176 HydrophobicContact CB-CE1 4.02Å; I173-F176 HydrophobicContact CB-CE2 3.36Å; I173-F176 HydrophobicContact CB-CG 4.28Å; I173-F176 HydrophobicContact CB-CZ 3.49Å; I173-F176 VanDerWaalsContact CB-CZ 3.49Å; I173-F176 HydrophobicContact CD1-CE1 3.85Å; I173-F176 HydrophobicContact CD1-CE2 3.89Å; I173-F176 HydrophobicContact CD1-CZ 3.22Å; I173-F176 HydrophobicContact CG1-CD2 4.35Å; I173-F176 HydrophobicContact CG1-CE1 4.24Å; I173-F176 HydrophobicContact CG1-CE2 3.48Å; I173-F176 VanDerWaalsContact CG1-CE2 3.48Å; I173-F176 HydrophobicContact CG1-CZ 3.38Å; I173-F176 VanDerWaalsContact N-CE2 3.33Å; I173-F176 WeakPolarHBondContact O-CD2 3.45Å; I173-F176 WeakPolarHBondContact O-CG 3.41Å; I173-F176 PolarHBondContact O-N 3.34Å; K174-F176 PolarHBondContact O-N 3.3Å; F176-E178 PolarHBondContact O-N 2.86Å; F176-E178 VanDerWaalsContact O-N 3.11Å; F176-L181 HydrophobicContact CB-CD1 3.88Å; F176-L181 HydrophobicContact CB-CD2 3.77Å; F176-L181 HydrophobicContact CB-CG 3.69Å; F176-L181 HydrophobicContact CD2-CD1 4.48Å; F176-L181 HydrophobicContact CD2-CD2 3.51Å; F176-L181 HydrophobicContact CD2-CG 4.33Å; F176-L181 HydrophobicContact CE2-CD2 4.2Å; F176-L181 HydrophobicContact CG-CD2 3.8Å; F176-L181 HydrophobicContact CG-CG 4.3Å | ||
| 177 | D | 63.5 | Low | 81 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | trans | -47.4 | 119.7 | 160.5 | 167.1 | 14.7 | 0 | 0 | 0 | 108.2 | E175 N179 N180 | E175-D177 PolarHBondContact O-N 2.84Å; E175-D177 VanDerWaalsContact O-N 3.13Å; D177-N179 PolarHBondContact O-N 2.88Å; D177-N179 WeakPolarHBondContact OD1-CB 3.36Å; D177-N179 PolarHBondContact OD1-N 2.88Å; D177-N179 PolarHBondContact OD1-ND2 2.81Å; D177-N180 WeakPolarHBondContact CB-ND2 3.19Å; D177-N180 PolarHBondContact O-N 3.17Å; D177-N180 PolarHBondContact OD2-ND2 3.36Å; D177-N180 VanDerWaalsContact OD2-ND2 3.1Å | ||
| 178 | E | 63.8 | Low | 80.8 | Confident | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -21.2 | -177.5 | -64.2 | -173.3 | 167.1 | 0 | 0 | 112.3 | F176 K210 | F176-E178 PolarHBondContact O-N 2.86Å; F176-E178 VanDerWaalsContact O-N 3.11Å; E178-K210 WeakPolarHBondContact O-CD 3.38Å; E178-K210 WeakPolarHBondContact O-CE 3.43Å; E178-K210 PolarHBondContact O-NZ 3.42Å |
| 179 | N | 65.8 | Low | 80.3 | Confident | 97 Ų | 97 | 53.1 Ų | 53.1 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -26.5 | 175.9 | -63.9 | -49.1 | 0 | 0 | 0 | 114.3 | D177 Q182 | D177-N179 PolarHBondContact O-N 2.88Å; D177-N179 WeakPolarHBondContact OD1-CB 3.36Å; D177-N179 PolarHBondContact OD1-N 2.88Å; D177-N179 PolarHBondContact OD1-ND2 2.81Å; N179-Q182 PolarHBondContact O-NE2 3.16Å |
| 180 | N | 67.8 | Low | 79.9 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 20% | 0.198 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -16.3 | -174.7 | -58.5 | -41.6 | 0 | 0 | 0 | 113 | L122 K123 D177 Q182 | L122-N180 VanDerWaalsContact O-O 3.05Å; K123-N180 HydrophobicContact CB-CB 4.5Å; K123-N180 VanDerWaalsContact CD-OD1 3.31Å; K123-N180 WeakPolarHBondContact CD-OD1 3.49Å; K123-N180 PolarHBondContact NZ-OD1 2.79Å; D177-N180 WeakPolarHBondContact CB-ND2 3.19Å; D177-N180 PolarHBondContact O-N 3.17Å; D177-N180 PolarHBondContact OD2-ND2 3.36Å; D177-N180 VanDerWaalsContact OD2-ND2 3.1Å; N180-Q182 VanDerWaalsContact C-N 3.27Å; N180-Q182 PolarHBondContact O-N 2.56Å |
| 181 | L | 75.3 | Confident | 79.5 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 25% | 0.25 | C | C | . | . | trans | -74.2 | 78.9 | 172.7 | -69.5 | -179.9 | 0 | 0 | 0 | 111.3 | F121 V172 F176 I213 | F121-L181 HydrophobicContact CD1-CD2 3.9Å; F121-L181 HydrophobicContact CE1-CD2 3.77Å; F121-L181 HydrophobicContact CZ-CD2 4.49Å; V172-L181 HydrophobicContact CG1-CD1 4.4Å; F176-L181 HydrophobicContact CB-CD1 3.88Å; F176-L181 HydrophobicContact CB-CD2 3.77Å; F176-L181 HydrophobicContact CB-CG 3.69Å; F176-L181 HydrophobicContact CD2-CD1 4.48Å; F176-L181 HydrophobicContact CD2-CD2 3.51Å; F176-L181 HydrophobicContact CD2-CG 4.33Å; F176-L181 HydrophobicContact CE2-CD2 4.2Å; F176-L181 HydrophobicContact CG-CD2 3.8Å; F176-L181 HydrophobicContact CG-CG 4.3Å; L181-I213 HydrophobicContact CB-CD1 4.13Å; L181-I213 HydrophobicContact CB-CG2 4.5Å; L181-I213 HydrophobicContact CD1-CG2 4.21Å; L181-I213 HydrophobicContact CD2-CG2 4.25Å; L181-I213 WeakPolarHBondContact O-CD1 3.3Å | ||
| 182 | Q | 83.2 | Confident | 79.2 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | trans | -128.8 | 123.3 | 175.4 | -54.2 | -174.3 | 18.3 | 0 | 0 | 110.2 | F121 L122 N179 N180 W184 | F121-Q182 WeakPolarHBondContact CA-O 3.48Å; L122-Q182 HydrophobicContact CD1-CB 4.24Å; L122-Q182 HydrophobicContact CG-CB 4.33Å; L122-Q182 PolarHBondContact N-O 2.82Å; N179-Q182 PolarHBondContact O-NE2 3.16Å; N180-Q182 VanDerWaalsContact C-N 3.27Å; N180-Q182 PolarHBondContact O-N 2.56Å; Q182-W184 HydrophobicContact CB-CE3 3.82Å; Q182-W184 HydrophobicContact CB-CZ3 3.42Å; Q182-W184 VanDerWaalsContact CB-CZ3 3.42Å; Q182-W184 HydrophobicContact CG-CZ3 4.44Å | ||
| 183 | S | 89.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | trans | -126.6 | 134.2 | 176.4 | -173 | 0 | 0 | 0 | 0 | 108.9 | N119 I120 Q207 I208 | N119-S183 CarbonylContact O-C 3.49Å; N119-S183 VanDerWaalsContact O-CA 3.25Å; N119-S183 WeakPolarHBondContact O-CA 3.31Å; N119-S183 PolarHBondContact O-OG 2.89Å; N119-S183 VanDerWaalsContact O-OG 3.06Å; I120-S183 WeakPolarHBondContact O-CA 3.32Å; I120-S183 WeakPolarHBondContact O-CB 3.41Å; I120-S183 PolarHBondContact O-OG 2.91Å; S183-Q207 WeakPolarHBondContact O-CA 3.37Å; S183-Q207 WeakPolarHBondContact O-CG 3.29Å; S183-I208 PolarHBondContact O-N 2.97Å | ||
| 184 | W | 92.7 | Very high | 79.7 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 160.1 | 179.3 | 63.3 | 77.2 | 0 | 0 | 0 | 113.5 | N119 L122 Q182 Y186 R205 I206 Q207 | N119-W184 HydrophobicContact CB-CD2 4.12Å; N119-W184 HydrophobicContact CB-CG 4.48Å; N119-W184 HydrophobicContact CB-CZ2 4.02Å; N119-W184 PolarHBondContact N-O 2.95Å; N119-W184 PolarHBondContact ND2-NE1 3.23Å; N119-W184 PolarHBondContact O-N 3.34Å; L122-W184 HydrophobicContact CD1-CH2 3.31Å; L122-W184 HydrophobicContact CD1-CZ3 3.61Å; L122-W184 HydrophobicContact CD2-CH2 3.52Å; L122-W184 HydrophobicContact CD2-CZ2 4.08Å; L122-W184 HydrophobicContact CD2-CZ3 4.26Å; L122-W184 HydrophobicContact CG-CH2 3.46Å; L122-W184 VanDerWaalsContact CG-CH2 3.46Å; L122-W184 HydrophobicContact CG-CZ2 4.45Å; L122-W184 HydrophobicContact CG-CZ3 3.74Å; Q182-W184 HydrophobicContact CB-CE3 3.82Å; Q182-W184 HydrophobicContact CB-CZ3 3.42Å; Q182-W184 VanDerWaalsContact CB-CZ3 3.42Å; Q182-W184 HydrophobicContact CG-CZ3 4.44Å; W184-Y186 AromaticContact CD1-CD1 3.72Å; W184-Y186 AromaticContact NE1-CD1 3.73Å; W184-Y186 AromaticContact NE1-CE1 3.94Å; W184-R205 HydrophobicContact CB-CG 3.96Å; W184-R205 HydrophobicContact CG-CG 4.04Å; W184-I206 CarbonylContact C-O 3.57Å; W184-I206 WeakPolarHBondContact CA-O 3.48Å; W184-I206 VanDerWaalsContact CB-O 3.22Å; W184-I206 WeakPolarHBondContact CB-O 3.06Å; W184-Q207 HydrophobicContact CB-CB 4.27Å |
| 185 | I | 94.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150.6 | 165.4 | 66.2 | 169 | 0 | 0 | 0 | 109.6 | Y56 Y92 I118 M165 R205 I206 F221 | Y56-I185 HydrophobicContact CD2-CD1 4.45Å; Y56-I185 HydrophobicContact CG-CD1 4.41Å; Y92-I185 HydrophobicContact CE2-CD1 4.43Å; I118-I185 HydrophobicContact CB-CG2 4.26Å; I118-I185 HydrophobicContact CG1-CB 4.46Å; I118-I185 HydrophobicContact CG1-CG2 3.77Å; I118-I185 HydrophobicContact CG2-CG2 4.05Å; M165-I185 HydrophobicContact CE-CD1 3.69Å; I185-R205 CarbonylContact O-C 3.51Å; I185-R205 VanDerWaalsContact O-CA 3.3Å; I185-R205 WeakPolarHBondContact O-CA 3.2Å; I185-I206 HydrophobicContact CD1-CD1 4.18Å; I185-I206 HydrophobicContact CG1-CB 3.94Å; I185-I206 HydrophobicContact CG1-CD1 4.31Å; I185-I206 HydrophobicContact CG1-CG1 4.36Å; I185-I206 PolarHBondContact N-O 2.77Å; I185-I206 PolarHBondContact O-N 2.69Å; I185-F221 HydrophobicContact CD1-CB 4.03Å; I185-F221 HydrophobicContact CD1-CD1 3.49Å; I185-F221 VanDerWaalsContact CD1-CD1 3.49Å; I185-F221 HydrophobicContact CD1-CD2 4.21Å; I185-F221 HydrophobicContact CD1-CE1 3.91Å; I185-F221 HydrophobicContact CD1-CG 3.65Å; I185-F221 HydrophobicContact CD1-CZ 4.44Å; I185-F221 HydrophobicContact CG1-CD1 4.1Å; I185-F221 HydrophobicContact CG1-CE1 3.98Å; I185-F221 HydrophobicContact CG1-CZ 4.31Å; I185-F221 HydrophobicContact CG2-CD2 4.4Å; I185-F221 HydrophobicContact CG2-CE2 4.12Å; I185-F221 HydrophobicContact CG2-CZ 4.3Å |
| 186 | Y | 94.2 | Very high | 81.6 | Confident | 22 Ų | 22 | 55 Ų | 55 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 159.1 | 172.6 | 74 | -87.6 | 0 | 0 | 0 | 112.5 | Y91 G116 Q117 W184 R188 P202 | Y91-Y186 WeakPolarHBondContact CE1-O 3.4Å; Y91-Y186 PolarHBondContact OH-N 2.63Å; Y91-Y186 PolarHBondContact OH-O 3.38Å; G116-Y186 WeakPolarHBondContact CA-O 3.25Å; Q117-Y186 HydrophobicContact CB-CD1 4.39Å; Q117-Y186 HydrophobicContact CB-CE1 3.57Å; Q117-Y186 HydrophobicContact CG-CE1 4.27Å; Q117-Y186 PolarHBondContact N-O 3.23Å; Q117-Y186 WeakPolarHBondContact O-CD1 3.41Å; Q117-Y186 PolarHBondContact O-N 3.07Å; Q117-Y186 PolarHBondContact OE1-OH 3.2Å; W184-Y186 AromaticContact CD1-CD1 3.72Å; W184-Y186 AromaticContact NE1-CD1 3.73Å; W184-Y186 AromaticContact NE1-CE1 3.94Å; Y186-R188 HydrophobicContact CE2-CB 3.89Å; Y186-P202 HydrophobicContact CD2-CB 3.63Å; Y186-P202 HydrophobicContact CE2-CB 4.23Å; Y186-P202 HydrophobicContact CG-CB 3.91Å |
| 187 | Y | 93.1 | Very high | 82.5 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.7 | 166.8 | 178 | -102.2 | 0 | 0 | 0 | 110.7 | Y92 Q94 I115 Y189 Y203 T262 | Y92-Y187 HydrophobicContact CG-CD2 4.4Å; Y92-Y187 HydrophobicContact CG-CG 4.41Å; Q94-Y187 HydrophobicContact CG-CE2 3.81Å; I115-Y187 HydrophobicContact CB-CD2 4.4Å; I115-Y187 HydrophobicContact CB-CE2 3.88Å; I115-Y187 HydrophobicContact CG2-CE2 4.31Å; I115-Y187 CarbonylContact O-C 3.5Å; I115-Y187 WeakPolarHBondContact O-CA 3.4Å; I115-Y187 WeakPolarHBondContact O-CD2 3.47Å; I115-Y187 WeakPolarHBondContact O-CE2 3.27Å; Y187-Y189 HydrophobicContact CD1-CD2 4.28Å; Y187-Y189 AromaticContact CE1-CD2 3.88Å; Y187-Y189 HydrophobicContact CE1-CD2 3.88Å; Y187-Y189 PolarHBondContact O-N 2.84Å; Y187-Y203 HydrophobicContact CD1-CD1 4.13Å; Y187-Y203 HydrophobicContact CG-CD1 4.49Å; Y187-Y203 PolarHBondContact N-O 2.91Å; Y187-Y203 VanDerWaalsContact N-O 3.07Å; Y187-Y203 PolarHBondContact O-N 3.36Å; Y187-T262 HydrophobicContact CD1-CG2 3.98Å; Y187-T262 HydrophobicContact CD2-CG2 3.76Å; Y187-T262 HydrophobicContact CE1-CG2 3.8Å; Y187-T262 HydrophobicContact CE2-CG2 3.57Å; Y187-T262 HydrophobicContact CG-CG2 3.97Å |
| 188 | R | 91.1 | Very high | 83.5 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 106.5 | 179.1 | -176.7 | 178.2 | 173.2 | 130.9 | -4.4 | 109.6 | F114 I115 Y186 P200 | F114-R188 VanDerWaalsContact CD1-CZ 3.48Å; I115-R188 PolarHBondContact O-N 2.91Å; Y186-R188 HydrophobicContact CE2-CB 3.89Å; R188-P200 HydrophobicContact CG-CB 3.88Å; R188-P200 VanDerWaalsContact NE-CB 3.27Å |
| 189 | Y | 86.7 | Confident | 84.6 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137.8 | 176.1 | -158.9 | -80.2 | 0 | 0 | 0 | 110.8 | F28 I33 Y187 C191 P200 E201 R260 S264 | F28-Y189 HydrophobicContact CB-CE1 4.35Å; F28-Y189 AromaticContact CD2-CE1 3.9Å; F28-Y189 HydrophobicContact CD2-CE1 3.9Å; F28-Y189 AromaticContact CD2-CZ 3.84Å; F28-Y189 WeakPolarHBondContact CD2-OH 3.47Å; F28-Y189 WeakPolarHBondContact CE2-OH 3.3Å; F28-Y189 HydrophobicContact CG-CE1 4.37Å; I33-Y189 HydrophobicContact CD1-CD1 2.99Å; I33-Y189 HydrophobicContact CD1-CD2 3.82Å; I33-Y189 HydrophobicContact CD1-CE1 3.21Å; I33-Y189 HydrophobicContact CD1-CE2 3.99Å; I33-Y189 HydrophobicContact CD1-CG 3.3Å; I33-Y189 HydrophobicContact CG1-CD1 4.49Å; Y187-Y189 HydrophobicContact CD1-CD2 4.28Å; Y187-Y189 AromaticContact CE1-CD2 3.88Å; Y187-Y189 HydrophobicContact CE1-CD2 3.88Å; Y187-Y189 PolarHBondContact O-N 2.84Å; Y189-C191 HydrophobicContact CD1-CB 4.18Å; Y189-C191 HydrophobicContact CE1-CB 4.33Å; Y189-P200 CarbonylContact O-C 3.58Å; Y189-P200 WeakPolarHBondContact O-CA 3.4Å; Y189-E201 WeakPolarHBondContact CB-O 3.48Å; Y189-E201 PolarHBondContact N-O 3.18Å; Y189-E201 PolarHBondContact O-N 2.86Å; Y189-R260 VanDerWaalsContact CE2-O 3.3Å; Y189-R260 WeakPolarHBondContact CE2-O 3.32Å; Y189-S264 WeakPolarHBondContact CE2-OG 3.34Å; Y189-S264 VanDerWaalsContact CZ-OG 3.24Å; Y189-S264 WeakPolarHBondContact OH-CB 3.15Å; Y189-S264 PolarHBondContact OH-OG 2.68Å |
| 190 | K | 84.6 | Confident | 85.7 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.2 | 173.4 | -66.6 | 177.9 | -175 | 168.6 | 0 | 109.5 | D113 | D113-K190 IonicContact OD1-NZ 3.14Å; D113-K190 PolarHBondContact OD1-NZ 2.84Å; D113-K190 IonicContact OD2-NZ 2.7Å; D113-K190 PolarHBondContact OD2-NZ 2.98Å |
| 191 | C | 82.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 170.8 | 178 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | F28 C30 Y189 S198 V199 E201 | F28-C191 HydrophobicContact CB-CB 4.38Å; F28-C191 CarbonylContact O-C 3.59Å; F28-C191 WeakPolarHBondContact O-CA 3.47Å; F28-C191 VanDerWaalsContact O-CB 3.27Å; F28-C191 WeakPolarHBondContact O-CB 3.36Å; C30-C191 WeakPolarHBondContact CA-SG 3.48Å; C30-C191 HydrophobicContact CB-CB 4.03Å; C30-C191 WeakPolarHBondContact CB-SG 3.19Å; C30-C191 WeakPolarHBondContact SG-CB 3.3Å; C30-C191 CovalentContact SG-SG 2.04Å; C30-C191 PolarHBondContact SG-SG 3.29Å; Y189-C191 HydrophobicContact CD1-CB 4.18Å; Y189-C191 HydrophobicContact CE1-CB 4.33Å; C191-S198 CarbonylContact O-C 3.53Å; C191-S198 VanDerWaalsContact O-CA 3.32Å; C191-S198 WeakPolarHBondContact O-CA 3.05Å; C191-V199 PolarHBondContact N-O 2.65Å; C191-V199 PolarHBondContact O-N 2.89Å; C191-V199 VanDerWaalsContact O-O 3.12Å; C191-E201 WeakPolarHBondContact SG-CG 3.11Å |
| 192 | L | 83.5 | Confident | 87.3 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.3 | 173.2 | -63.9 | 171 | 0 | 0 | 0 | 110 | Q27 F28 T29 C30 N196 V197 | Q27-L192 HydrophobicContact CB-CD1 3.46Å; Q27-L192 VanDerWaalsContact CB-CD1 3.46Å; Q27-L192 HydrophobicContact CB-CD2 4.36Å; Q27-L192 HydrophobicContact CB-CG 3.74Å; Q27-L192 HydrophobicContact CG-CD1 4.38Å; Q27-L192 HydrophobicContact CG-CG 4.41Å; F28-L192 PolarHBondContact O-N 3.19Å; T29-L192 CarbonylContact C-O 3.59Å; T29-L192 WeakPolarHBondContact CA-O 3.16Å; C30-L192 PolarHBondContact N-O 2.87Å; C30-L192 PolarHBondContact SG-O 3.24Å; L192-N196 WeakPolarHBondContact CD2-O 3.32Å; L192-V197 WeakPolarHBondContact CA-O 3.1Å |
| 193 | D | 84.4 | Confident | 87.6 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | trans | -72.6 | -174.2 | 166.9 | 69.1 | 9.6 | 0 | 0 | 0 | 111.7 | Q195 N196 V197 V199 | D193-Q195 PolarHBondContact O-N 2.78Å; D193-Q195 VanDerWaalsContact OD1-C 3.31Å; D193-Q195 VanDerWaalsContact OD1-CA 3.29Å; D193-Q195 WeakPolarHBondContact OD1-CA 3.43Å; D193-Q195 WeakPolarHBondContact OD1-CB 3.38Å; D193-Q195 PolarHBondContact OD1-N 2.89Å; D193-Q195 PolarHBondContact OD2-OE1 3.1Å; D193-N196 PolarHBondContact O-N 2.78Å; D193-N196 VanDerWaalsContact O-N 3.12Å; D193-N196 PolarHBondContact OD1-N 3.04Å; D193-N196 VanDerWaalsContact OD1-N 3.14Å; D193-V197 PolarHBondContact N-O 3.02Å; D193-V197 PolarHBondContact OD1-N 3.36Å; D193-V199 HydrophobicContact CB-CG1 4.18Å; D193-V199 HydrophobicContact CB-CG2 3.9Å | ||
| 194 | K | 84 | Confident | 87.6 | Confident | 170 Ų | 170 | 48.4 Ų | 48.4 | 74% | 0.739 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15 | 179.3 | -64.6 | -176.1 | 177.3 | -176.9 | 0 | 113 | ||
| 195 | Q | 85.6 | Confident | 87.6 | Confident | 138 Ų | 138 | 52.8 Ų | 52.8 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 8.8 | 178.8 | -67 | 75.1 | 22.3 | 0 | 0 | 112.1 | D193 V197 | D193-Q195 PolarHBondContact O-N 2.78Å; D193-Q195 VanDerWaalsContact OD1-C 3.31Å; D193-Q195 VanDerWaalsContact OD1-CA 3.29Å; D193-Q195 WeakPolarHBondContact OD1-CA 3.43Å; D193-Q195 WeakPolarHBondContact OD1-CB 3.38Å; D193-Q195 PolarHBondContact OD1-N 2.89Å; D193-Q195 PolarHBondContact OD2-OE1 3.1Å; Q195-V197 HydrophobicContact CB-CG2 4.09Å; Q195-V197 PolarHBondContact O-N 2.85Å |
| 196 | N | 81.7 | Confident | 87.5 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 58.7 | 27.7 | -173.9 | -65.9 | -35.6 | 0 | 0 | 0 | 113.5 | L192 D193 | L192-N196 WeakPolarHBondContact CD2-O 3.32Å; D193-N196 PolarHBondContact O-N 2.78Å; D193-N196 VanDerWaalsContact O-N 3.12Å; D193-N196 PolarHBondContact OD1-N 3.04Å; D193-N196 VanDerWaalsContact OD1-N 3.14Å |
| 197 | V | 84.2 | Confident | 87.5 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | trans | -94.1 | 131.7 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L192 D193 Q195 V199 | L192-V197 WeakPolarHBondContact CA-O 3.1Å; D193-V197 PolarHBondContact N-O 3.02Å; D193-V197 PolarHBondContact OD1-N 3.36Å; Q195-V197 HydrophobicContact CB-CG2 4.09Å; Q195-V197 PolarHBondContact O-N 2.85Å; V197-V199 HydrophobicContact CB-CG1 4.5Å; V197-V199 HydrophobicContact CG1-CG1 4.32Å; V197-V199 PolarHBondContact O-N 3.22Å; V197-V199 VanDerWaalsContact O-N 3.1Å | ||
| 198 | S | 85.1 | Confident | 87.5 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 47% | 0.469 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 110.7 | 174.6 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | C191 | C191-S198 CarbonylContact O-C 3.53Å; C191-S198 VanDerWaalsContact O-CA 3.32Å; C191-S198 WeakPolarHBondContact O-CA 3.05Å |
| 199 | V | 87.3 | Confident | 87.5 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.5 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | C30 C191 D193 V197 E201 | C30-V199 WeakPolarHBondContact SG-CG2 3.37Å; C191-V199 PolarHBondContact N-O 2.65Å; C191-V199 PolarHBondContact O-N 2.89Å; C191-V199 VanDerWaalsContact O-O 3.12Å; D193-V199 HydrophobicContact CB-CG1 4.18Å; D193-V199 HydrophobicContact CB-CG2 3.9Å; V197-V199 HydrophobicContact CB-CG1 4.5Å; V197-V199 HydrophobicContact CG1-CG1 4.32Å; V197-V199 PolarHBondContact O-N 3.22Å; V197-V199 VanDerWaalsContact O-N 3.1Å; V199-E201 HydrophobicContact CG2-CG 4.31Å |
| 200 | P | 87.2 | Confident | 87.6 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 40% | 0.403 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 130.1 | 168.9 | 34.1 | -34.8 | 0 | 0 | 0 | 110.6 | R188 Y189 | R188-P200 HydrophobicContact CG-CB 3.88Å; R188-P200 VanDerWaalsContact NE-CB 3.27Å; Y189-P200 CarbonylContact O-C 3.58Å; Y189-P200 WeakPolarHBondContact O-CA 3.4Å |
| 201 | E | 88 | Confident | 87.9 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.8 | 171.9 | -69.7 | -71.7 | 177.1 | 0 | 0 | 110 | C30 I33 K34 Y189 C191 V199 Y203 | C30-E201 HydrophobicContact CB-CG 3.88Å; C30-E201 VanDerWaalsContact SG-CG 3.58Å; I33-E201 HydrophobicContact CG2-CB 4.36Å; K34-E201 WeakPolarHBondContact CE-OE1 3.49Å; K34-E201 IonicContact NZ-OE1 3.84Å; K34-E201 PolarHBondContact NZ-OE1 2.56Å; K34-E201 VanDerWaalsContact NZ-OE1 3.14Å; Y189-E201 WeakPolarHBondContact CB-O 3.48Å; Y189-E201 PolarHBondContact N-O 3.18Å; Y189-E201 PolarHBondContact O-N 2.86Å; C191-E201 WeakPolarHBondContact SG-CG 3.11Å; V199-E201 HydrophobicContact CG2-CG 4.31Å; E201-Y203 PolarHBondContact O-N 3.07Å |
| 202 | P | 89.8 | Confident | 88.3 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118.3 | 175.2 | 32.4 | -34.6 | 0 | 0 | 0 | 110.1 | Y186 R205 | Y186-P202 HydrophobicContact CD2-CB 3.63Å; Y186-P202 HydrophobicContact CE2-CB 4.23Å; Y186-P202 HydrophobicContact CG-CB 3.91Å; P202-R205 HydrophobicContact CB-CB 4.47Å |
| 203 | Y | 88.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137 | 166.3 | 172.6 | -106.5 | 0 | 0 | 0 | 109.8 | I33 V36 E55 Y187 E201 R205 N258 R260 D261 | I33-Y203 HydrophobicContact CG2-CD2 4.38Å; V36-Y203 HydrophobicContact CB-CE2 4.42Å; V36-Y203 HydrophobicContact CG1-CE2 3.97Å; E55-Y203 HydrophobicContact CG-CE1 3.77Å; E55-Y203 WeakPolarHBondContact OE1-CE1 3.36Å; E55-Y203 VanDerWaalsContact OE1-CZ 3.29Å; E55-Y203 PolarHBondContact OE1-OH 2.8Å; Y187-Y203 HydrophobicContact CD1-CD1 4.13Å; Y187-Y203 HydrophobicContact CG-CD1 4.49Å; Y187-Y203 PolarHBondContact N-O 2.91Å; Y187-Y203 VanDerWaalsContact N-O 3.07Å; Y187-Y203 PolarHBondContact O-N 3.36Å; E201-Y203 PolarHBondContact O-N 3.07Å; Y203-R205 PolarHBondContact O-N 3.03Å; Y203-N258 PolarHBondContact OH-ND2 3.23Å; Y203-N258 VanDerWaalsContact OH-ND2 3.07Å; Y203-R260 HydrophobicContact CD2-CB 4.38Å; Y203-R260 HydrophobicContact CE2-CB 3.81Å; Y203-R260 WeakPolarHBondContact CE2-O 3.29Å; Y203-D261 HydrophobicContact CE1-CB 4.42Å |
| 204 | N | 89.5 | Confident | 88.8 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 53.5 | 174.6 | -167.9 | -108.2 | 0 | 0 | 0 | 112.9 | H53 E55 Y92 I206 | H53-N204 PolarHBondContact O-ND2 3.28Å; H53-N204 PolarHBondContact O-OD1 2.59Å; E55-N204 WeakPolarHBondContact CB-OD1 3.47Å; E55-N204 HydrophobicContact CG-CB 4.01Å; Y92-N204 HydrophobicContact CE1-CB 3.85Å; Y92-N204 WeakPolarHBondContact CE1-OD1 3.31Å; Y92-N204 PolarHBondContact OH-O 3.28Å; N204-I206 PolarHBondContact O-N 2.86Å |
| 205 | R | 92.5 | Very high | 89.2 | Confident | 114 Ų | 114 | 54 Ų | 54 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.5 | 175.6 | -178.6 | -173.5 | -66.3 | 176.8 | -3.4 | 109.6 | W184 I185 P202 Y203 | W184-R205 HydrophobicContact CB-CG 3.96Å; W184-R205 HydrophobicContact CG-CG 4.04Å; I185-R205 CarbonylContact O-C 3.51Å; I185-R205 VanDerWaalsContact O-CA 3.3Å; I185-R205 WeakPolarHBondContact O-CA 3.2Å; P202-R205 HydrophobicContact CB-CB 4.47Å; Y203-R205 PolarHBondContact O-N 3.03Å |
| 206 | I | 94.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.8 | 178 | -50 | 173.9 | 0 | 0 | 0 | 108.3 | H53 Y56 Q58 W184 I185 N204 F221 | H53-I206 HydrophobicContact CB-CD1 3.49Å; H53-I206 VanDerWaalsContact CB-CD1 3.49Å; H53-I206 HydrophobicContact CB-CG1 3.65Å; H53-I206 HydrophobicContact CB-CG2 4.2Å; Y56-I206 HydrophobicContact CD2-CD1 4.38Å; Y56-I206 HydrophobicContact CG-CD1 4.32Å; Q58-I206 HydrophobicContact CB-CG2 4.46Å; W184-I206 CarbonylContact C-O 3.57Å; W184-I206 WeakPolarHBondContact CA-O 3.48Å; W184-I206 VanDerWaalsContact CB-O 3.22Å; W184-I206 WeakPolarHBondContact CB-O 3.06Å; I185-I206 HydrophobicContact CD1-CD1 4.18Å; I185-I206 HydrophobicContact CG1-CB 3.94Å; I185-I206 HydrophobicContact CG1-CD1 4.31Å; I185-I206 HydrophobicContact CG1-CG1 4.36Å; I185-I206 PolarHBondContact N-O 2.77Å; I185-I206 PolarHBondContact O-N 2.69Å; N204-I206 PolarHBondContact O-N 2.86Å; I206-F221 HydrophobicContact CB-CE1 4.07Å; I206-F221 HydrophobicContact CG2-CD1 4.29Å; I206-F221 HydrophobicContact CG2-CE1 3.64Å |
| 207 | Q | 93 | Very high | 90.3 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 33% | 0.332 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.3 | -177.4 | -174.9 | 172.6 | -25.3 | 0 | 0 | 110.4 | Q58 S183 W184 P209 | Q58-Q207 PolarHBondContact NE2-O 2.93Å; S183-Q207 WeakPolarHBondContact O-CA 3.37Å; S183-Q207 WeakPolarHBondContact O-CG 3.29Å; W184-Q207 HydrophobicContact CB-CB 4.27Å; Q207-P209 WeakPolarHBondContact O-CD 3.39Å |
| 208 | I | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -73.5 | 122.9 | 169.5 | -58.4 | 177.8 | 0 | 0 | 0 | 108.1 | I60 I167 S183 K210 I213 I217 V219 F221 | I60-I208 HydrophobicContact CD1-CG2 4.15Å; I167-I208 HydrophobicContact CD1-CD1 4.08Å; S183-I208 PolarHBondContact O-N 2.97Å; I208-K210 PolarHBondContact O-N 2.96Å; I208-I213 HydrophobicContact CB-CD1 4.49Å; I208-I213 HydrophobicContact CB-CG1 4.39Å; I208-I213 HydrophobicContact CG2-CD1 4.36Å; I208-I213 HydrophobicContact CG2-CG1 3.75Å; I208-I217 HydrophobicContact CG2-CD1 4.23Å; I208-V219 HydrophobicContact CD1-CB 3.95Å; I208-V219 HydrophobicContact CD1-CG1 3.99Å; I208-V219 HydrophobicContact CD1-CG2 3.58Å; I208-V219 HydrophobicContact CG1-CG1 4.09Å; I208-V219 HydrophobicContact CG1-CG2 4.16Å; I208-V219 HydrophobicContact CG2-CG2 4.2Å; I208-F221 HydrophobicContact CG1-CZ 4.34Å | ||
| 209 | P | 91.9 | Very high | 91.5 | Very high | 25 Ų | 25 | 41 Ų | 41 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | trans | -62.4 | 129.6 | 177.5 | -16.4 | 27.7 | 0 | 0 | 0 | 110.5 | I60 Q207 K211 F212 | I60-P209 HydrophobicContact CD1-CG 4.33Å; Q207-P209 WeakPolarHBondContact O-CD 3.39Å; P209-K211 HydrophobicContact CB-CG 4.43Å; P209-K211 PolarHBondContact O-N 3.02Å; P209-F212 HydrophobicContact CB-CD2 4.03Å; P209-F212 HydrophobicContact CG-CD2 4.14Å; P209-F212 PolarHBondContact O-N 3.21Å | ||
| 210 | K | 88.9 | Confident | 92 | Very high | 82 Ų | 82 | 40.3 Ų | 40.3 | 36% | 0.357 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -50.4 | -39.4 | -173.6 | -63.1 | -177.1 | 177 | -170 | 0 | 113.8 | E178 I208 F212 I213 | E178-K210 WeakPolarHBondContact O-CD 3.38Å; E178-K210 WeakPolarHBondContact O-CE 3.43Å; E178-K210 PolarHBondContact O-NZ 3.42Å; I208-K210 PolarHBondContact O-N 2.96Å; K210-F212 PolarHBondContact O-N 2.7Å; K210-I213 WeakPolarHBondContact O-CB 3.48Å; K210-I213 PolarHBondContact O-N 3.26Å |
| 211 | K | 89.7 | Confident | 92.5 | Very high | 119 Ų | 119 | 37.3 Ų | 37.3 | 52% | 0.517 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -57.8 | -22.8 | -179.8 | 70.6 | -178.4 | -176.1 | -177.9 | 0 | 114.5 | E44 P209 K214 | E44-K211 IonicContact OE1-NZ 2.79Å; E44-K211 PolarHBondContact OE1-NZ 2.86Å; E44-K211 WeakPolarHBondContact OE2-CE 3.39Å; E44-K211 IonicContact OE2-NZ 3.05Å; E44-K211 PolarHBondContact OE2-NZ 3.32Å; P209-K211 HydrophobicContact CB-CG 4.43Å; P209-K211 PolarHBondContact O-N 3.02Å; K211-K214 WeakPolarHBondContact O-CE 3.32Å |
| 212 | F | 92 | Very high | 92.9 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -93.2 | -19.1 | 177.7 | -71.7 | -73 | 0 | 0 | 0 | 113.4 | E44 R49 I60 L62 P209 K210 K214 I217 | E44-F212 HydrophobicContact CG-CE2 4.4Å; E44-F212 HydrophobicContact CG-CZ 3.9Å; R49-F212 HydrophobicContact CB-CE1 4.36Å; R49-F212 HydrophobicContact CB-CE2 3.88Å; R49-F212 HydrophobicContact CB-CZ 3.73Å; R49-F212 HydrophobicContact CG-CE2 4.34Å; I60-F212 HydrophobicContact CD1-CB 4.29Å; I60-F212 HydrophobicContact CD1-CD2 4.05Å; I60-F212 HydrophobicContact CD1-CG 4.25Å; I60-F212 HydrophobicContact CG2-CB 3.81Å; I60-F212 HydrophobicContact CG2-CD1 3.89Å; I60-F212 HydrophobicContact CG2-CG 3.86Å; L62-F212 HydrophobicContact CD1-CD1 4.41Å; L62-F212 HydrophobicContact CD2-CB 4.49Å; L62-F212 HydrophobicContact CD2-CD1 4.23Å; L62-F212 VanDerWaalsContact CD2-O 3.31Å; L62-F212 WeakPolarHBondContact CD2-O 3.21Å; L62-F212 HydrophobicContact CG-CD1 4.33Å; P209-F212 HydrophobicContact CB-CD2 4.03Å; P209-F212 HydrophobicContact CG-CD2 4.14Å; P209-F212 PolarHBondContact O-N 3.21Å; K210-F212 PolarHBondContact O-N 2.7Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 2.94Å; F212-I217 HydrophobicContact CB-CD1 4.14Å; F212-I217 VanDerWaalsContact O-CD1 3.25Å; F212-I217 WeakPolarHBondContact O-CD1 3.34Å |
| 213 | I | 88.9 | Confident | 93.2 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | trans | -67.6 | 91.9 | -178.1 | -58.9 | 177.8 | 0 | 0 | 0 | 109.1 | F121 I169 V172 L181 I208 K210 | F121-I213 HydrophobicContact CE1-CD1 4.33Å; F121-I213 HydrophobicContact CE1-CG2 3.62Å; F121-I213 HydrophobicContact CZ-CG2 3.86Å; I169-I213 HydrophobicContact CD1-CG2 4.49Å; V172-I213 HydrophobicContact CG2-CG2 4.14Å; L181-I213 HydrophobicContact CB-CD1 4.13Å; L181-I213 HydrophobicContact CB-CG2 4.5Å; L181-I213 HydrophobicContact CD1-CG2 4.21Å; L181-I213 HydrophobicContact CD2-CG2 4.25Å; L181-I213 WeakPolarHBondContact O-CD1 3.3Å; I208-I213 HydrophobicContact CB-CD1 4.49Å; I208-I213 HydrophobicContact CB-CG1 4.39Å; I208-I213 HydrophobicContact CG2-CD1 4.36Å; I208-I213 HydrophobicContact CG2-CG1 3.75Å; K210-I213 WeakPolarHBondContact O-CB 3.48Å; K210-I213 PolarHBondContact O-N 3.26Å | ||
| 214 | K | 89.3 | Confident | 93.4 | Very high | 108 Ų | 108 | 38.1 Ų | 38.1 | 47% | 0.47 | 18% | 0.175 | S | C | . | . | trans | -136.8 | 165.2 | -178.3 | -65.8 | 179.8 | -178.2 | 176.4 | 0 | 109.2 | L62 V172 K211 F212 I217 | L62-K214 HydrophobicContact CD1-CD 3.98Å; V172-K214 WeakPolarHBondContact CG2-O 3.5Å; K211-K214 WeakPolarHBondContact O-CE 3.32Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 2.94Å; K214-I217 WeakPolarHBondContact O-CB 3.4Å; K214-I217 WeakPolarHBondContact O-CG2 3.04Å; K214-I217 PolarHBondContact O-N 3.14Å | ||
| 215 | S | 91.8 | Very high | 93.5 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 147 | 169.8 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | E170 K171 V172 I217 | E170-S215 WeakPolarHBondContact O-CA 3.42Å; E170-S215 WeakPolarHBondContact O-CB 3.36Å; K171-S215 WeakPolarHBondContact CA-OG 3.41Å; V172-S215 PolarHBondContact N-OG 3.39Å; S215-I217 VanDerWaalsContact C-N 3.27Å; S215-I217 PolarHBondContact O-N 2.85Å |
| 216 | R | 95 | Very high | 93.4 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 34% | 0.34 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 30.7 | -177.9 | -57.6 | -179.6 | 65 | -156.8 | 5.1 | 115.1 | D63 Q64 D65 I169 E170 | D63-R216 PolarHBondContact N-O 2.7Å; Q64-R216 PolarHBondContact N-O 2.86Å; Q64-R216 PolarHBondContact O-NE 3.31Å; D65-R216 IonicContact OD1-NH2 2.63Å; D65-R216 PolarHBondContact OD1-NH2 2.83Å; I169-R216 VanDerWaalsContact O-CA 3.29Å; I169-R216 WeakPolarHBondContact O-CA 3.36Å; I169-R216 PolarHBondContact O-N 3.19Å; E170-R216 PolarHBondContact O-N 3.07Å |
| 217 | I | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.8 | 170.2 | -176.5 | -171 | 0 | 0 | 0 | 110.2 | I60 R61 L62 Y168 I169 I208 F212 K214 S215 V219 | I60-I217 HydrophobicContact CG2-CD1 3.83Å; I60-I217 HydrophobicContact CG2-CG1 3.93Å; R61-I217 WeakPolarHBondContact O-CA 3.34Å; L62-I217 HydrophobicContact CD2-CB 4.04Å; L62-I217 HydrophobicContact CD2-CD1 4.45Å; L62-I217 HydrophobicContact CD2-CG1 3.93Å; Y168-I217 WeakPolarHBondContact CA-O 3.37Å; Y168-I217 WeakPolarHBondContact CD2-O 3.42Å; I169-I217 HydrophobicContact CB-CG2 3.63Å; I169-I217 HydrophobicContact CD1-CG2 3.47Å; I169-I217 VanDerWaalsContact CD1-CG2 3.47Å; I169-I217 HydrophobicContact CG1-CG2 3.96Å; I169-I217 PolarHBondContact N-O 2.78Å; I169-I217 PolarHBondContact O-N 2.81Å; I208-I217 HydrophobicContact CG2-CD1 4.23Å; F212-I217 HydrophobicContact CB-CD1 4.14Å; F212-I217 VanDerWaalsContact O-CD1 3.25Å; F212-I217 WeakPolarHBondContact O-CD1 3.34Å; K214-I217 WeakPolarHBondContact O-CB 3.4Å; K214-I217 WeakPolarHBondContact O-CG2 3.04Å; K214-I217 PolarHBondContact O-N 3.14Å; S215-I217 VanDerWaalsContact C-N 3.27Å; S215-I217 PolarHBondContact O-N 2.85Å; I217-V219 HydrophobicContact CD1-CG2 3.44Å; I217-V219 VanDerWaalsContact CD1-CG2 3.44Å; I217-V219 HydrophobicContact CG1-CG2 3.82Å |
| 218 | L | 97.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.7 | 164.6 | -176.1 | 66.3 | 0 | 0 | 0 | 109.4 | R61 Q64 P67 F166 I167 Y168 | R61-L218 PolarHBondContact N-O 3.46Å; R61-L218 PolarHBondContact O-N 3.4Å; Q64-L218 HydrophobicContact CB-CB 3.95Å; Q64-L218 HydrophobicContact CG-CB 3.79Å; Q64-L218 HydrophobicContact CG-CD2 4.48Å; P67-L218 HydrophobicContact CG-CD1 4.23Å; F166-L218 HydrophobicContact CB-CD1 4.04Å; F166-L218 HydrophobicContact CD2-CD1 4.03Å; F166-L218 HydrophobicContact CG-CD1 4.27Å; I167-L218 CarbonylContact O-C 3.57Å; I167-L218 WeakPolarHBondContact O-CA 3.27Å; Y168-L218 HydrophobicContact CD2-CB 4.23Å; Y168-L218 HydrophobicContact CD2-CD1 4.15Å |
| 219 | V | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.5 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | Q58 T59 I60 F166 I167 I208 I217 F221 | Q58-V219 HydrophobicContact CG-CG1 3.98Å; T59-V219 CarbonylContact O-C 3.59Å; T59-V219 WeakPolarHBondContact O-CA 3.07Å; I60-V219 HydrophobicContact CG1-CG1 4.12Å; I60-V219 HydrophobicContact CG1-CG2 4.02Å; I60-V219 HydrophobicContact CG2-CG2 4.33Å; F166-V219 CarbonylContact C-O 3.47Å; F166-V219 VanDerWaalsContact CA-O 3.24Å; F166-V219 WeakPolarHBondContact CA-O 3.39Å; I167-V219 HydrophobicContact CB-CB 4.31Å; I167-V219 PolarHBondContact N-O 2.85Å; I167-V219 PolarHBondContact O-N 3.5Å; I208-V219 HydrophobicContact CD1-CB 3.95Å; I208-V219 HydrophobicContact CD1-CG1 3.99Å; I208-V219 HydrophobicContact CD1-CG2 3.58Å; I208-V219 HydrophobicContact CG1-CG1 4.09Å; I208-V219 HydrophobicContact CG1-CG2 4.16Å; I208-V219 HydrophobicContact CG2-CG2 4.2Å; I217-V219 HydrophobicContact CD1-CG2 3.44Å; I217-V219 VanDerWaalsContact CD1-CG2 3.44Å; I217-V219 HydrophobicContact CG1-CG2 3.82Å; V219-F221 HydrophobicContact CG1-CD2 4.36Å; V219-F221 HydrophobicContact CG1-CE1 4.44Å; V219-F221 HydrophobicContact CG1-CE2 3.77Å; V219-F221 HydrophobicContact CG1-CZ 3.82Å |
| 220 | E | 97.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.7 | 176.7 | 162.4 | 172 | -165.3 | 0 | 0 | 109.3 | Q58 T59 R61 K164 F166 | Q58-E220 CarbonylContact C-O 3.58Å; Q58-E220 WeakPolarHBondContact CA-O 3.33Å; T59-E220 PolarHBondContact N-O 3.44Å; T59-E220 PolarHBondContact O-N 2.85Å; R61-E220 IonicContact CZ-OE2 2.7Å; R61-E220 IonicContact NH1-OE2 3.24Å; R61-E220 PolarHBondContact NH1-OE2 2.95Å; R61-E220 IonicContact NH2-OE2 3.89Å; K164-E220 IonicContact NZ-OE1 3.07Å; K164-E220 PolarHBondContact NZ-OE1 3.11Å; F166-E220 HydrophobicContact CD1-CB 3.75Å; F166-E220 HydrophobicContact CD1-CG 3.9Å; F166-E220 HydrophobicContact CE1-CB 3.71Å; F166-E220 HydrophobicContact CE1-CG 3.44Å; F166-E220 VanDerWaalsContact CE1-CG 3.44Å; F166-E220 HydrophobicContact CZ-CG 4.32Å |
| 221 | F | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.5 | 166.5 | -60.1 | -82.2 | 0 | 0 | 0 | 108.7 | Y56 F57 Q58 K164 M165 I167 I185 I206 I208 V219 | Y56-F221 HydrophobicContact CD1-CB 3.89Å; Y56-F221 HydrophobicContact CE1-CB 4.49Å; F57-F221 WeakPolarHBondContact O-CA 2.81Å; Q58-F221 HydrophobicContact CB-CD1 4.39Å; Q58-F221 HydrophobicContact CB-CE1 4.4Å; Q58-F221 HydrophobicContact CG-CD1 4.36Å; Q58-F221 HydrophobicContact CG-CE1 4.04Å; K164-F221 WeakPolarHBondContact CA-O 3.27Å; M165-F221 HydrophobicContact CB-CB 4.42Å; M165-F221 HydrophobicContact CE-CB 3.93Å; M165-F221 PolarHBondContact N-O 3.03Å; M165-F221 PolarHBondContact O-N 2.85Å; I167-F221 HydrophobicContact CD1-CE2 3.82Å; I167-F221 HydrophobicContact CG1-CE2 4Å; I185-F221 HydrophobicContact CD1-CB 4.03Å; I185-F221 HydrophobicContact CD1-CD1 3.49Å; I185-F221 VanDerWaalsContact CD1-CD1 3.49Å; I185-F221 HydrophobicContact CD1-CD2 4.21Å; I185-F221 HydrophobicContact CD1-CE1 3.91Å; I185-F221 HydrophobicContact CD1-CG 3.65Å; I185-F221 HydrophobicContact CD1-CZ 4.44Å; I185-F221 HydrophobicContact CG1-CD1 4.1Å; I185-F221 HydrophobicContact CG1-CE1 3.98Å; I185-F221 HydrophobicContact CG1-CZ 4.31Å; I185-F221 HydrophobicContact CG2-CD2 4.4Å; I185-F221 HydrophobicContact CG2-CE2 4.12Å; I185-F221 HydrophobicContact CG2-CZ 4.3Å; I206-F221 HydrophobicContact CB-CE1 4.07Å; I206-F221 HydrophobicContact CG2-CD1 4.29Å; I206-F221 HydrophobicContact CG2-CE1 3.64Å; I208-F221 HydrophobicContact CG1-CZ 4.34Å; V219-F221 HydrophobicContact CG1-CD2 4.36Å; V219-F221 HydrophobicContact CG1-CE1 4.44Å; V219-F221 HydrophobicContact CG1-CE2 3.77Å; V219-F221 HydrophobicContact CG1-CZ 3.82Å |
| 222 | E | 97.3 | Very high | 93.7 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.4 | 178.9 | 172.5 | 162.7 | -154 | 0 | 0 | 110 | Y56 F57 K164 N224 | Y56-E222 CarbonylContact C-O 3.52Å; Y56-E222 WeakPolarHBondContact CA-O 3.43Å; Y56-E222 WeakPolarHBondContact CB-O 3.37Å; Y56-E222 WeakPolarHBondContact CD1-O 3.33Å; F57-E222 PolarHBondContact N-O 2.99Å; F57-E222 PolarHBondContact O-N 3.33Å; K164-E222 WeakPolarHBondContact CE-OE1 3Å; K164-E222 HydrophobicContact CG-CB 4.3Å; K164-E222 HydrophobicContact CG-CG 4.28Å; K164-E222 IonicContact NZ-OE1 2.73Å; K164-E222 PolarHBondContact NZ-OE1 2.96Å; K164-E222 IonicContact NZ-OE2 3.66Å; K164-E222 PolarHBondContact NZ-OE2 2.85Å; E222-N224 PolarHBondContact O-N 2.84Å |
| 223 | P | 95.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 17% | 0.169 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 130.8 | 176.6 | -24.5 | 32.2 | 0 | 0 | 0 | 111.7 | Y56 G163 T225 | Y56-P223 HydrophobicContact CD1-CB 4.5Å; Y56-P223 HydrophobicContact CD1-CG 4.26Å; Y56-P223 HydrophobicContact CE1-CB 4.16Å; Y56-P223 HydrophobicContact CE1-CG 3.64Å; G163-P223 WeakPolarHBondContact O-CD 3.5Å; G163-P223 WeakPolarHBondContact O-CG 2.95Å; P223-T225 PolarHBondContact O-N 3.26Å |
| 224 | N | 94 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -79.4 | 111.3 | 179.2 | -167.4 | -10 | 0 | 0 | 0 | 110.4 | D52 Y54 E55 F57 E222 E226 S227 | D52-N224 PolarHBondContact OD1-ND2 3.13Å; Y54-N224 WeakPolarHBondContact O-CB 3.19Å; Y54-N224 VanDerWaalsContact O-CG 3.31Å; Y54-N224 PolarHBondContact O-ND2 3.24Å; E55-N224 PolarHBondContact O-N 2.88Å; F57-N224 HydrophobicContact CD2-CB 4.26Å; F57-N224 HydrophobicContact CE2-CB 3.99Å; F57-N224 VanDerWaalsContact CE2-CG 3.42Å; F57-N224 WeakPolarHBondContact CE2-OD1 2.96Å; F57-N224 HydrophobicContact CZ-CB 4.48Å; F57-N224 WeakPolarHBondContact CZ-ND2 2.91Å; F57-N224 WeakPolarHBondContact CZ-OD1 3.19Å; E222-N224 PolarHBondContact O-N 2.84Å; N224-E226 PolarHBondContact O-N 2.7Å; N224-E226 WeakPolarHBondContact OD1-CA 3.1Å; N224-E226 VanDerWaalsContact OD1-CB 3.3Å; N224-E226 WeakPolarHBondContact OD1-CB 3.48Å; N224-E226 PolarHBondContact OD1-N 2.99Å; N224-S227 WeakPolarHBondContact O-CB 3Å; N224-S227 PolarHBondContact O-N 2.04Å; N224-S227 PolarHBondContact O-OG 3.14Å | ||
| 225 | T | 91.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 42 Ų | 42 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.5 | 175.9 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | P223 M230 K231 | P223-T225 PolarHBondContact O-N 3.26Å; T225-M230 HydrophobicContact CG2-CE 4.45Å; T225-K231 PolarHBondContact O-NZ 3.1Å |
| 226 | E | 90.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.6 | 176.7 | -53.8 | -49 | 117.1 | 0 | 0 | 114.1 | N224 K231 A240 | N224-E226 PolarHBondContact O-N 2.7Å; N224-E226 WeakPolarHBondContact OD1-CA 3.1Å; N224-E226 VanDerWaalsContact OD1-CB 3.3Å; N224-E226 WeakPolarHBondContact OD1-CB 3.48Å; N224-E226 PolarHBondContact OD1-N 2.99Å; E226-K231 IonicContact OE1-NZ 3.91Å; E226-K231 PolarHBondContact OE1-NZ 3.36Å; E226-K231 IonicContact OE2-NZ 3.73Å; E226-K231 PolarHBondContact OE2-NZ 3.45Å; E226-A240 WeakPolarHBondContact O-CB 3.34Å |
| 227 | S | 92.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.2 | 147.7 | 172.4 | -74 | 0 | 0 | 0 | 0 | 113.1 | Y54 E55 N224 F229 M230 | Y54-S227 PolarHBondContact O-OG 3.44Å; E55-S227 WeakPolarHBondContact CA-OG 3.23Å; E55-S227 WeakPolarHBondContact OE2-CB 3.47Å; E55-S227 PolarHBondContact OE2-OG 2.76Å; N224-S227 WeakPolarHBondContact O-CB 3Å; N224-S227 PolarHBondContact O-N 2.04Å; N224-S227 PolarHBondContact O-OG 3.14Å; S227-F229 VanDerWaalsContact C-N 3.32Å; S227-F229 PolarHBondContact O-N 2.67Å; S227-M230 WeakPolarHBondContact O-CB 3.41Å; S227-M230 PolarHBondContact O-N 3.1Å |
| 228 | C | 93.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -52.3 | -50.2 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Y54 M230 K231 C247 C256 N258 | Y54-C228 PolarHBondContact OH-SG 2.94Å; C228-M230 PolarHBondContact O-N 3.11Å; C228-K231 WeakPolarHBondContact O-CB 3.43Å; C228-K231 PolarHBondContact O-N 2.96Å; C228-C247 VanDerWaalsContact CA-SG 3.53Å; C228-C247 HydrophobicContact CB-CB 3.9Å; C228-C247 WeakPolarHBondContact CB-SG 2.97Å; C228-C247 WeakPolarHBondContact SG-CA 3.35Å; C228-C247 WeakPolarHBondContact SG-CB 3.44Å; C228-C247 CovalentContact SG-SG 2Å; C228-C247 PolarHBondContact SG-SG 3.47Å; C228-C256 VanDerWaalsContact CB-SG 3.59Å; C228-C256 WeakPolarHBondContact O-CB 3.38Å; C228-C256 PolarHBondContact O-SG 3.15Å; C228-N258 HydrophobicContact CB-CB 4.48Å |
| 229 | F | 91 | Very high | 94.4 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -62.2 | -16 | -175.8 | 81 | -101.3 | 0 | 0 | 0 | 113.7 | E55 S227 D261 H263 | E55-F229 HydrophobicContact CB-CE1 4.41Å; E55-F229 HydrophobicContact CG-CE1 4.45Å; E55-F229 WeakPolarHBondContact OE2-CD1 3.48Å; E55-F229 WeakPolarHBondContact OE2-CE1 3.37Å; S227-F229 VanDerWaalsContact C-N 3.32Å; S227-F229 PolarHBondContact O-N 2.67Å; F229-D261 HydrophobicContact CB-CB 4.35Å; F229-D261 HydrophobicContact CD1-CB 4.28Å; F229-H263 PolarHBondContact O-CE1 2.94Å |
| 230 | M | 92 | Very high | 94.2 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -85.4 | -15.2 | 176.9 | -67.6 | -67.2 | -74.1 | 0 | 0 | 113.1 | T225 S227 C228 | T225-M230 HydrophobicContact CG2-CE 4.45Å; S227-M230 WeakPolarHBondContact O-CB 3.41Å; S227-M230 PolarHBondContact O-N 3.1Å; C228-M230 PolarHBondContact O-N 3.11Å |
| 231 | K | 94.6 | Very high | 93.8 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | trans | -82.5 | 137.8 | -175.7 | -54 | -51 | -168 | -173.6 | 0 | 111.8 | T225 E226 C228 T236 C237 A240 C256 | T225-K231 PolarHBondContact O-NZ 3.1Å; E226-K231 IonicContact OE1-NZ 3.91Å; E226-K231 PolarHBondContact OE1-NZ 3.36Å; E226-K231 IonicContact OE2-NZ 3.73Å; E226-K231 PolarHBondContact OE2-NZ 3.45Å; C228-K231 WeakPolarHBondContact O-CB 3.43Å; C228-K231 PolarHBondContact O-N 2.96Å; K231-T236 WeakPolarHBondContact CG-O 3.12Å; K231-C237 HydrophobicContact CB-CB 4.14Å; K231-A240 HydrophobicContact CD-CB 4.29Å; K231-A240 HydrophobicContact CG-CB 3.81Å; K231-C256 HydrophobicContact CB-CB 3.99Å | ||
| 232 | V | 93.8 | Very high | 93.2 | Very high | 123 Ų | 123 | 51.6 Ų | 51.6 | 75% | 0.745 | 28% | 0.279 | S | S | * | . | trans | -116.3 | -0.1 | -170.2 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | W249 | V232-W249 VanDerWaalsContact C-CH2 3.43Å; V232-W249 WeakPolarHBondContact O-CH2 3.29Å | ||
| 233 | S | 94.9 | Very high | 92.5 | Very high | 32 Ų | 32 | 55 Ų | 55 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -132.6 | 161 | 172.1 | 88.9 | 0 | 0 | 0 | 0 | 110.8 | E235 T236 C237 W249 | S233-E235 VanDerWaalsContact C-N 3.35Å; S233-E235 WeakPolarHBondContact CB-OE2 3.33Å; S233-E235 PolarHBondContact O-N 2.84Å; S233-E235 PolarHBondContact OG-N 2.73Å; S233-E235 PolarHBondContact OG-OE2 3.16Å; S233-T236 PolarHBondContact N-OG1 3.06Å; S233-T236 PolarHBondContact O-OG1 2.98Å; S233-T236 PolarHBondContact OG-N 3.46Å; S233-T236 VanDerWaalsContact OG-N 3.17Å; S233-T236 PolarHBondContact OG-OG1 2.91Å; S233-C237 WeakPolarHBondContact O-CB 3.36Å; S233-C237 PolarHBondContact O-N 3.42Å; S233-W249 WeakPolarHBondContact O-CZ3 3.32Å |
| 234 | N | 95.2 | Very high | 91.6 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 31% | 0.31 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.4 | -179.7 | 37.3 | 0 | 0 | 0 | 111.6 | C237 L238 W249 | N234-C237 WeakPolarHBondContact O-CB 3.32Å; N234-C237 PolarHBondContact O-N 2.83Å; N234-L238 WeakPolarHBondContact O-CG 3.46Å; N234-L238 PolarHBondContact O-N 3.4Å; N234-W249 HydrophobicContact CB-CB 4.3Å; N234-W249 HydrophobicContact CB-CD2 4.08Å; N234-W249 HydrophobicContact CB-CG 3.76Å; N234-W249 WeakPolarHBondContact OD1-CB 2.97Å |
| 235 | E | 95.1 | Very high | 91.1 | Very high | 119 Ų | 119 | 59.7 Ų | 59.7 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.3 | -54.1 | -177.5 | -54.3 | 71.6 | -152.1 | 0 | 0 | 110.2 | S233 C237 L238 D239 | S233-E235 VanDerWaalsContact C-N 3.35Å; S233-E235 WeakPolarHBondContact CB-OE2 3.33Å; S233-E235 PolarHBondContact O-N 2.84Å; S233-E235 PolarHBondContact OG-N 2.73Å; S233-E235 PolarHBondContact OG-OE2 3.16Å; E235-C237 PolarHBondContact O-N 3.46Å; E235-L238 PolarHBondContact O-N 3.33Å; E235-D239 WeakPolarHBondContact O-CB 3.35Å; E235-D239 VanDerWaalsContact O-CG 3.26Å; E235-D239 PolarHBondContact O-N 2.81Å |
| 236 | T | 95.7 | Very high | 91 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -28 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 113 | K231 S233 A240 | K231-T236 WeakPolarHBondContact CG-O 3.12Å; S233-T236 PolarHBondContact N-OG1 3.06Å; S233-T236 PolarHBondContact O-OG1 2.98Å; S233-T236 PolarHBondContact OG-N 3.46Å; S233-T236 VanDerWaalsContact OG-N 3.17Å; S233-T236 PolarHBondContact OG-OG1 2.91Å; T236-A240 WeakPolarHBondContact O-CB 3.3Å; T236-A240 PolarHBondContact O-N 3.23Å |
| 237 | C | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.8 | -52.1 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | K231 S233 N234 E235 D239 A240 C247 H248 W249 C256 | K231-C237 HydrophobicContact CB-CB 4.14Å; S233-C237 WeakPolarHBondContact O-CB 3.36Å; S233-C237 PolarHBondContact O-N 3.42Å; N234-C237 WeakPolarHBondContact O-CB 3.32Å; N234-C237 PolarHBondContact O-N 2.83Å; E235-C237 PolarHBondContact O-N 3.46Å; C237-D239 VanDerWaalsContact C-N 3.34Å; C237-D239 PolarHBondContact O-N 3.47Å; C237-A240 WeakPolarHBondContact O-CB 3.44Å; C237-A240 PolarHBondContact O-N 3.29Å; C237-C247 WeakPolarHBondContact O-CB 3.37Å; C237-H248 PolarHBondContact SG-O 2Å; C237-W249 HydrophobicContact CB-CB 4.4Å; C237-W249 HydrophobicContact CB-CD2 4.47Å; C237-W249 HydrophobicContact CB-CE3 3.63Å; C237-W249 HydrophobicContact CB-CZ3 4.32Å; C237-C256 WeakPolarHBondContact CA-SG 3.3Å; C237-C256 HydrophobicContact CB-CB 3.54Å; C237-C256 WeakPolarHBondContact CB-SG 3.48Å; C237-C256 VanDerWaalsContact SG-CA 3.58Å; C237-C256 WeakPolarHBondContact SG-CB 3.35Å; C237-C256 CovalentContact SG-SG 2.01Å; C237-C256 PolarHBondContact SG-SG 3.29Å |
| 238 | L | 94.2 | Very high | 91.2 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 44% | 0.44 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | -178 | -63.6 | 176.5 | 0 | 0 | 0 | 111.2 | N234 E235 A240 S241 | N234-L238 WeakPolarHBondContact O-CG 3.46Å; N234-L238 PolarHBondContact O-N 3.4Å; E235-L238 PolarHBondContact O-N 3.33Å; L238-A240 PolarHBondContact O-N 3.41Å; L238-S241 VanDerWaalsContact O-CB 3.26Å; L238-S241 WeakPolarHBondContact O-CB 2.96Å; L238-S241 PolarHBondContact O-N 2.88Å; L238-S241 VanDerWaalsContact O-N 3.14Å; L238-S241 PolarHBondContact O-OG 2.95Å |
| 239 | D | 93.7 | Very high | 91.2 | Very high | 137 Ų | 137 | 60.1 Ų | 60.1 | 73% | 0.733 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.2 | -23.8 | 176.8 | -69 | -16.9 | 0 | 0 | 0 | 113.3 | E235 C237 S241 | E235-D239 WeakPolarHBondContact O-CB 3.35Å; E235-D239 VanDerWaalsContact O-CG 3.26Å; E235-D239 PolarHBondContact O-N 2.81Å; C237-D239 VanDerWaalsContact C-N 3.34Å; C237-D239 PolarHBondContact O-N 3.47Å; D239-S241 PolarHBondContact O-N 2.84Å |
| 240 | A | 92.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E226 K231 T236 C237 L238 K242 | E226-A240 WeakPolarHBondContact O-CB 3.34Å; K231-A240 HydrophobicContact CD-CB 4.29Å; K231-A240 HydrophobicContact CG-CB 3.81Å; T236-A240 WeakPolarHBondContact O-CB 3.3Å; T236-A240 PolarHBondContact O-N 3.23Å; C237-A240 WeakPolarHBondContact O-CB 3.44Å; C237-A240 PolarHBondContact O-N 3.29Å; L238-A240 PolarHBondContact O-N 3.41Å; A240-K242 PolarHBondContact O-N 3.47Å |
| 241 | S | 90.5 | Very high | 91.3 | Very high | 45 Ų | 45 | 62.8 Ų | 62.8 | 32% | 0.315 | 34% | 0.341 | S | S | . | . | trans | -60.9 | 134.6 | 179.3 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | L238 D239 C247 | L238-S241 VanDerWaalsContact O-CB 3.26Å; L238-S241 WeakPolarHBondContact O-CB 2.96Å; L238-S241 PolarHBondContact O-N 2.88Å; L238-S241 VanDerWaalsContact O-N 3.14Å; L238-S241 PolarHBondContact O-OG 2.95Å; D239-S241 PolarHBondContact O-N 2.84Å; S241-C247 PolarHBondContact OG-N 3.2Å | ||
| 242 | K | 85.2 | Confident | 91.1 | Very high | 42 Ų | 42 | 66.4 Ų | 66.4 | 18% | 0.183 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -113.5 | 158.1 | 173.4 | -62 | -179.1 | -172.1 | 174.5 | 0 | 109.1 | D52 Y54 A240 D244 M245 | D52-K242 IonicContact OD1-NZ 3.05Å; D52-K242 PolarHBondContact OD1-NZ 3.2Å; D52-K242 IonicContact OD2-NZ 3.5Å; D52-K242 PolarHBondContact OD2-NZ 3.3Å; Y54-K242 HydrophobicContact CD2-CD 4.18Å; Y54-K242 HydrophobicContact CE2-CD 4.34Å; A240-K242 PolarHBondContact O-N 3.47Å; K242-D244 PolarHBondContact O-N 3.27Å; K242-M245 PolarHBondContact N-O 2.01Å; K242-M245 CarbonylContact O-C 3.18Å; K242-M245 PolarHBondContact O-N 2.84Å; K242-M245 VanDerWaalsContact O-O 3.13Å |
| 243 | P | 80.8 | Confident | 90.9 | Very high | 138 Ų | 138 | 61.7 Ų | 61.7 | 90% | 0.896 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -35.6 | -178.3 | -30.3 | 36.1 | 0 | 0 | 0 | 115.1 | ||
| 244 | D | 78.3 | Confident | 90.9 | Very high | 123 Ų | 123 | 65.7 Ų | 65.7 | 66% | 0.658 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -0.7 | 179.5 | -54.4 | -47.4 | 0 | 0 | 0 | 113.7 | H38 K242 | H38-D244 IonicContact ND1-OD2 3.22Å; K242-D244 PolarHBondContact O-N 3.27Å |
| 245 | M | 83 | Confident | 90.8 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -150.8 | 93.7 | -178.1 | -157 | 93.9 | 79.4 | 0 | 0 | 112.2 | V36 Y54 K242 N258 | V36-M245 HydrophobicContact CG1-CE 3.59Å; V36-M245 HydrophobicContact CG1-SD 4.33Å; Y54-M245 HydrophobicContact CD1-CE 3.31Å; Y54-M245 HydrophobicContact CD2-CB 4Å; Y54-M245 HydrophobicContact CD2-CE 3.82Å; Y54-M245 HydrophobicContact CD2-CG 4.17Å; Y54-M245 HydrophobicContact CE1-CE 3.48Å; Y54-M245 VanDerWaalsContact CE1-CE 3.48Å; Y54-M245 HydrophobicContact CE1-CG 3.99Å; Y54-M245 HydrophobicContact CE1-SD 4.41Å; Y54-M245 HydrophobicContact CE2-CB 3.5Å; Y54-M245 HydrophobicContact CE2-CE 3.97Å; Y54-M245 HydrophobicContact CE2-CG 3.49Å; Y54-M245 VanDerWaalsContact CE2-CG 3.49Å; Y54-M245 HydrophobicContact CG-CE 3.5Å; Y54-M245 WeakPolarHBondContact OH-CG 3.1Å; K242-M245 PolarHBondContact N-O 2.01Å; K242-M245 CarbonylContact O-C 3.18Å; K242-M245 PolarHBondContact O-N 2.84Å; K242-M245 VanDerWaalsContact O-O 3.13Å; M245-N258 HydrophobicContact CG-CB 3.61Å; M245-N258 WeakPolarHBondContact CG-ND2 3.06Å; M245-N258 HydrophobicContact SD-CB 3.98Å; M245-N258 PolarHBondContact SD-ND2 3.14Å |
| 246 | E | 88.7 | Confident | 90.8 | Very high | 113 Ų | 113 | 58.3 Ų | 58.3 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | trans | -76.2 | 135.2 | 175.5 | -162.8 | 175.5 | 170 | 0 | 0 | 111 | H248 N258 | E246-H248 WeakPolarHBondContact CG-NE2 3.13Å; E246-H248 IonicContact OE1-CE1 3.86Å; E246-H248 PolarHBondContact OE1-CE1 3.47Å; E246-H248 VanDerWaalsContact OE1-CE1 3.22Å; E246-H248 IonicContact OE1-NE2 3.64Å; E246-H248 IonicContact OE2-CE1 3.99Å; E246-H248 IonicContact OE2-NE2 2.56Å; E246-N258 VanDerWaalsContact O-CA 3.3Å; E246-N258 WeakPolarHBondContact O-CA 3.2Å; E246-N258 WeakPolarHBondContact O-CB 3.42Å | ||
| 247 | C | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -98.8 | 138.4 | 173.3 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | C228 C237 S241 | C228-C247 VanDerWaalsContact CA-SG 3.53Å; C228-C247 HydrophobicContact CB-CB 3.9Å; C228-C247 WeakPolarHBondContact CB-SG 2.97Å; C228-C247 WeakPolarHBondContact SG-CA 3.35Å; C228-C247 WeakPolarHBondContact SG-CB 3.44Å; C228-C247 CovalentContact SG-SG 2Å; C228-C247 PolarHBondContact SG-SG 3.47Å; C237-C247 WeakPolarHBondContact O-CB 3.37Å; S241-C247 PolarHBondContact OG-N 3.2Å | ||
| 248 | H | 94 | Very high | 90.3 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.1 | 175.4 | -55.8 | -90.7 | 0 | 0 | 0 | 110.1 | C237 E246 C256 S257 W267 I275 | C237-H248 PolarHBondContact SG-O 2Å; E246-H248 WeakPolarHBondContact CG-NE2 3.13Å; E246-H248 IonicContact OE1-CE1 3.86Å; E246-H248 PolarHBondContact OE1-CE1 3.47Å; E246-H248 VanDerWaalsContact OE1-CE1 3.22Å; E246-H248 IonicContact OE1-NE2 3.64Å; E246-H248 IonicContact OE2-CE1 3.99Å; E246-H248 IonicContact OE2-NE2 2.56Å; H248-C256 WeakPolarHBondContact O-CA 3.39Å; H248-S257 PolarHBondContact N-O 3Å; H248-S257 PolarHBondContact O-N 3.33Å; H248-W267 HydrophobicContact CB-CH2 3.51Å; H248-W267 HydrophobicContact CB-CZ2 4.02Å; H248-W267 HydrophobicContact CB-CZ3 4.35Å; H248-W267 WeakPolarHBondContact O-CH2 2.99Å; H248-W267 WeakPolarHBondContact O-CZ3 3.35Å; H248-I275 HydrophobicContact CB-CD1 3.8Å; H248-I275 HydrophobicContact CB-CG1 3.81Å; H248-I275 WeakPolarHBondContact CD2-CG2 3.15Å; H248-I275 VanDerWaalsContact NE2-CG2 3.28Å; H248-I275 WeakPolarHBondContact NE2-CG2 3.11Å |
| 249 | W | 94.8 | Very high | 89.8 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 11% | 0.114 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.5 | 175.3 | -173.5 | -108.6 | 0 | 0 | 0 | 111 | V232 S233 N234 C237 N254 L255 C256 W267 | V232-W249 VanDerWaalsContact C-CH2 3.43Å; V232-W249 WeakPolarHBondContact O-CH2 3.29Å; S233-W249 WeakPolarHBondContact O-CZ3 3.32Å; N234-W249 HydrophobicContact CB-CB 4.3Å; N234-W249 HydrophobicContact CB-CD2 4.08Å; N234-W249 HydrophobicContact CB-CG 3.76Å; N234-W249 WeakPolarHBondContact OD1-CB 2.97Å; C237-W249 HydrophobicContact CB-CB 4.4Å; C237-W249 HydrophobicContact CB-CD2 4.47Å; C237-W249 HydrophobicContact CB-CE3 3.63Å; C237-W249 HydrophobicContact CB-CZ3 4.32Å; W249-N254 VanDerWaalsContact CZ2-OD1 3.32Å; W249-N254 WeakPolarHBondContact CZ2-OD1 3.49Å; W249-L255 VanDerWaalsContact CE3-C 3.46Å; W249-L255 VanDerWaalsContact CZ3-C 3.46Å; W249-C256 HydrophobicContact CE3-CB 3.67Å; W249-C256 HydrophobicContact CZ3-CB 3.8Å; W249-W267 VanDerWaalsContact C-CH2 3.48Å |
| 250 | C | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 107.6 | 170.6 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | T252 A253 N254 L255 W267 C272 | C250-T252 PolarHBondContact O-N 2.86Å; C250-A253 HydrophobicContact CB-CB 4.06Å; C250-A253 PolarHBondContact O-N 3.5Å; C250-A253 VanDerWaalsContact SG-CB 3.55Å; C250-A253 PolarHBondContact SG-N 2.87Å; C250-A253 VanDerWaalsContact SG-N 3.4Å; C250-N254 WeakPolarHBondContact O-CA 3.44Å; C250-N254 PolarHBondContact O-N 3.19Å; C250-L255 HydrophobicContact CB-CD1 4.46Å; C250-L255 PolarHBondContact N-O 3.22Å; C250-L255 PolarHBondContact O-N 3.47Å; C250-W267 HydrophobicContact CB-CD2 4.23Å; C250-W267 HydrophobicContact CB-CE3 3.73Å; C250-W267 HydrophobicContact CB-CH2 3.67Å; C250-W267 HydrophobicContact CB-CZ2 4.18Å; C250-W267 HydrophobicContact CB-CZ3 3.44Å; C250-W267 VanDerWaalsContact CB-CZ3 3.44Å; C250-C272 HydrophobicContact CB-CB 3.6Å; C250-C272 WeakPolarHBondContact CB-SG 3.5Å; C250-C272 WeakPolarHBondContact SG-CB 3.27Å; C250-C272 CovalentContact SG-SG 1.99Å; C250-C272 PolarHBondContact SG-SG 3.48Å |
| 251 | L | 91 | Very high | 89.1 | Confident | 142 Ų | 142 | 48.4 Ų | 48.4 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -45 | 176.4 | -67.8 | 169 | 0 | 0 | 0 | 112.4 | A253 N254 | L251-A253 VanDerWaalsContact C-N 3.28Å; L251-A253 PolarHBondContact O-N 3.17Å; L251-N254 PolarHBondContact O-N 3.02Å |
| 252 | T | 89.6 | Confident | 89 | Confident | 105 Ų | 105 | 46.7 Ų | 46.7 | 64% | 0.644 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -31.1 | -177.5 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | C250 K270 | C250-T252 PolarHBondContact O-N 2.86Å; T252-K270 WeakPolarHBondContact CG2-O 3.26Å |
| 253 | A | 90.8 | Very high | 89.2 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -12.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C250 L251 L255 K270 | C250-A253 HydrophobicContact CB-CB 4.06Å; C250-A253 PolarHBondContact O-N 3.5Å; C250-A253 VanDerWaalsContact SG-CB 3.55Å; C250-A253 PolarHBondContact SG-N 2.87Å; C250-A253 VanDerWaalsContact SG-N 3.4Å; L251-A253 VanDerWaalsContact C-N 3.28Å; L251-A253 PolarHBondContact O-N 3.17Å; A253-L255 VanDerWaalsContact C-N 3.32Å; A253-L255 HydrophobicContact CB-CD2 3.71Å; A253-L255 HydrophobicContact CB-CG 3.68Å; A253-L255 PolarHBondContact O-N 2.98Å; A253-K270 HydrophobicContact CB-CB 3.66Å; A253-K270 HydrophobicContact CB-CG 3.77Å |
| 254 | N | 93.6 | Very high | 89.3 | Confident | 117 Ų | 117 | 40.4 Ų | 40.4 | 63% | 0.626 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 48.2 | -173.4 | -162.3 | 58 | 0 | 0 | 0 | 112.5 | W249 C250 L251 | W249-N254 VanDerWaalsContact CZ2-OD1 3.32Å; W249-N254 WeakPolarHBondContact CZ2-OD1 3.49Å; C250-N254 WeakPolarHBondContact O-CA 3.44Å; C250-N254 PolarHBondContact O-N 3.19Å; L251-N254 PolarHBondContact O-N 3.02Å |
| 255 | L | 94 | Very high | 89.5 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.3 | -179.8 | 66.1 | 78.1 | 0 | 0 | 0 | 111.8 | W249 C250 A253 H263 A266 W267 | W249-L255 VanDerWaalsContact CE3-C 3.46Å; W249-L255 VanDerWaalsContact CZ3-C 3.46Å; C250-L255 HydrophobicContact CB-CD1 4.46Å; C250-L255 PolarHBondContact N-O 3.22Å; C250-L255 PolarHBondContact O-N 3.47Å; A253-L255 VanDerWaalsContact C-N 3.32Å; A253-L255 HydrophobicContact CB-CD2 3.71Å; A253-L255 HydrophobicContact CB-CG 3.68Å; A253-L255 PolarHBondContact O-N 2.98Å; L255-H263 HydrophobicContact CD1-CB 3.88Å; L255-H263 HydrophobicContact CD2-CB 4.49Å; L255-A266 HydrophobicContact CD2-CB 3.67Å; L255-W267 HydrophobicContact CD1-CE3 3.54Å; L255-W267 HydrophobicContact CD1-CZ3 4.06Å |
| 256 | C | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.5 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | C228 K231 C237 H248 W249 H263 | C228-C256 VanDerWaalsContact CB-SG 3.59Å; C228-C256 WeakPolarHBondContact O-CB 3.38Å; C228-C256 PolarHBondContact O-SG 3.15Å; K231-C256 HydrophobicContact CB-CB 3.99Å; C237-C256 WeakPolarHBondContact CA-SG 3.3Å; C237-C256 HydrophobicContact CB-CB 3.54Å; C237-C256 WeakPolarHBondContact CB-SG 3.48Å; C237-C256 VanDerWaalsContact SG-CA 3.58Å; C237-C256 WeakPolarHBondContact SG-CB 3.35Å; C237-C256 CovalentContact SG-SG 2.01Å; C237-C256 PolarHBondContact SG-SG 3.29Å; H248-C256 WeakPolarHBondContact O-CA 3.39Å; W249-C256 HydrophobicContact CE3-CB 3.67Å; W249-C256 HydrophobicContact CZ3-CB 3.8Å; C256-H263 PolarHBondContact O-ND1 2.8Å |
| 257 | S | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 151.6 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 112 | H248 G259 D261 W267 | H248-S257 PolarHBondContact N-O 3Å; H248-S257 PolarHBondContact O-N 3.33Å; S257-G259 VanDerWaalsContact C-N 3.27Å; S257-G259 PolarHBondContact OG-N 3.24Å; S257-D261 WeakPolarHBondContact CA-OD2 3.49Å; S257-D261 VanDerWaalsContact OG-CG 3.23Å; S257-D261 PolarHBondContact OG-OD1 3Å; S257-D261 PolarHBondContact OG-OD2 2.89Å; S257-W267 VanDerWaalsContact CB-CE3 3.48Å |
| 258 | N | 87.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -88.9 | 9.8 | 164.3 | 64.6 | 19.1 | 0 | 0 | 0 | 113.4 | Y54 Y203 C228 M245 E246 R260 D261 | Y54-N258 WeakPolarHBondContact CE1-ND2 3.49Å; Y54-N258 PolarHBondContact OH-ND2 3.42Å; Y203-N258 PolarHBondContact OH-ND2 3.23Å; Y203-N258 VanDerWaalsContact OH-ND2 3.07Å; C228-N258 HydrophobicContact CB-CB 4.48Å; M245-N258 HydrophobicContact CG-CB 3.61Å; M245-N258 WeakPolarHBondContact CG-ND2 3.06Å; M245-N258 HydrophobicContact SD-CB 3.98Å; M245-N258 PolarHBondContact SD-ND2 3.14Å; E246-N258 VanDerWaalsContact O-CA 3.3Å; E246-N258 WeakPolarHBondContact O-CA 3.2Å; E246-N258 WeakPolarHBondContact O-CB 3.42Å; N258-R260 PolarHBondContact O-N 2.88Å; N258-R260 WeakPolarHBondContact OD1-CA 3.28Å; N258-R260 PolarHBondContact OD1-N 3.11Å; N258-D261 PolarHBondContact N-OD2 3.43Å; N258-D261 WeakPolarHBondContact OD1-CB 3.17Å; N258-D261 PolarHBondContact OD1-N 2.94Å; N258-D261 PolarHBondContact OD1-OD2 3.33Å | ||
| 259 | G | 83.6 | Confident | 88.4 | Confident | 14 Ų | 14 | 41 Ų | 41 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 76.2 | -2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S257 | S257-G259 VanDerWaalsContact C-N 3.27Å; S257-G259 PolarHBondContact OG-N 3.24Å |
| 260 | R | 83.2 | Confident | 87.9 | Confident | 57 Ų | 57 | 45 Ų | 45 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -129.9 | -20.3 | -173.8 | -63 | 179.3 | -82.3 | -166 | -7.2 | 113.3 | H32 Y189 Y203 N258 | H32-R260 WeakPolarHBondContact O-CD 3.32Å; Y189-R260 VanDerWaalsContact CE2-O 3.3Å; Y189-R260 WeakPolarHBondContact CE2-O 3.32Å; Y203-R260 HydrophobicContact CD2-CB 4.38Å; Y203-R260 HydrophobicContact CE2-CB 3.81Å; Y203-R260 WeakPolarHBondContact CE2-O 3.29Å; N258-R260 PolarHBondContact O-N 2.88Å; N258-R260 WeakPolarHBondContact OD1-CA 3.28Å; N258-R260 PolarHBondContact OD1-N 3.11Å |
| 261 | D | 88.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -69.5 | -173 | 174.5 | 63.8 | 35.4 | 0 | 0 | 0 | 112.2 | E55 Y203 F229 S257 N258 H263 S264 | E55-D261 WeakPolarHBondContact OE1-CB 3.28Å; Y203-D261 HydrophobicContact CE1-CB 4.42Å; F229-D261 HydrophobicContact CB-CB 4.35Å; F229-D261 HydrophobicContact CD1-CB 4.28Å; S257-D261 WeakPolarHBondContact CA-OD2 3.49Å; S257-D261 VanDerWaalsContact OG-CG 3.23Å; S257-D261 PolarHBondContact OG-OD1 3Å; S257-D261 PolarHBondContact OG-OD2 2.89Å; N258-D261 PolarHBondContact N-OD2 3.43Å; N258-D261 WeakPolarHBondContact OD1-CB 3.17Å; N258-D261 PolarHBondContact OD1-N 2.94Å; N258-D261 PolarHBondContact OD1-OD2 3.33Å; D261-H263 PolarHBondContact O-N 3.18Å; D261-H263 WeakPolarHBondContact OD1-CA 3.38Å; D261-H263 WeakPolarHBondContact OD1-CB 3.12Å; D261-H263 PolarHBondContact OD1-N 3.46Å; D261-S264 VanDerWaalsContact O-CB 3.3Å; D261-S264 WeakPolarHBondContact O-CB 3.27Å; D261-S264 PolarHBondContact O-N 2.75Å; D261-S264 PolarHBondContact O-OG 3.11Å; D261-S264 VanDerWaalsContact O-OG 3.1Å |
| 262 | T | 88.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -7.8 | -173.2 | 71.3 | 0 | 0 | 0 | 0 | 113.9 | Y92 Q94 Y187 | Y92-T262 WeakPolarHBondContact O-CG2 3.16Å; Y92-T262 PolarHBondContact O-OG1 3.45Å; Q94-T262 HydrophobicContact CG-CG2 3.88Å; Q94-T262 PolarHBondContact NE2-O 2.85Å; Q94-T262 PolarHBondContact NE2-OG1 3.12Å; Y187-T262 HydrophobicContact CD1-CG2 3.98Å; Y187-T262 HydrophobicContact CD2-CG2 3.76Å; Y187-T262 HydrophobicContact CE1-CG2 3.8Å; Y187-T262 HydrophobicContact CE2-CG2 3.57Å; Y187-T262 HydrophobicContact CG-CG2 3.97Å |
| 263 | H | 89.5 | Confident | 86.7 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 21% | 0.208 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.2 | 171.6 | -72.4 | 174.9 | 0 | 0 | 0 | 113.7 | F229 L255 C256 D261 K265 A266 W267 | F229-H263 PolarHBondContact O-CE1 2.94Å; L255-H263 HydrophobicContact CD1-CB 3.88Å; L255-H263 HydrophobicContact CD2-CB 4.49Å; C256-H263 PolarHBondContact O-ND1 2.8Å; D261-H263 PolarHBondContact O-N 3.18Å; D261-H263 WeakPolarHBondContact OD1-CA 3.38Å; D261-H263 WeakPolarHBondContact OD1-CB 3.12Å; D261-H263 PolarHBondContact OD1-N 3.46Å; H263-K265 VanDerWaalsContact C-N 3.26Å; H263-K265 PolarHBondContact O-N 2.81Å; H263-K265 VanDerWaalsContact O-N 3.15Å; H263-A266 PolarHBondContact O-N 3.07Å; H263-W267 WeakPolarHBondContact O-CB 3.24Å; H263-W267 PolarHBondContact O-N 3.19Å |
| 264 | S | 84 | Confident | 85.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.4 | -37.4 | -177.1 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | Y189 D261 W267 M268 | Y189-S264 WeakPolarHBondContact CE2-OG 3.34Å; Y189-S264 VanDerWaalsContact CZ-OG 3.24Å; Y189-S264 WeakPolarHBondContact OH-CB 3.15Å; Y189-S264 PolarHBondContact OH-OG 2.68Å; D261-S264 VanDerWaalsContact O-CB 3.3Å; D261-S264 WeakPolarHBondContact O-CB 3.27Å; D261-S264 PolarHBondContact O-N 2.75Å; D261-S264 PolarHBondContact O-OG 3.11Å; D261-S264 VanDerWaalsContact O-OG 3.1Å; S264-W267 WeakPolarHBondContact O-CB 3.48Å; S264-W267 PolarHBondContact O-N 2.94Å; S264-M268 WeakPolarHBondContact O-CG 3.39Å; S264-M268 PolarHBondContact O-N 3.3Å; S264-M268 VanDerWaalsContact O-N 3.16Å |
| 265 | K | 81.2 | Confident | 84.5 | Confident | 128 Ų | 128 | 45.5 Ų | 45.5 | 56% | 0.557 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.9 | -45.4 | 176.8 | -175.4 | 179.2 | 179.5 | -177.3 | 0 | 111.2 | H263 W267 M268 I269 | H263-K265 VanDerWaalsContact C-N 3.26Å; H263-K265 PolarHBondContact O-N 2.81Å; H263-K265 VanDerWaalsContact O-N 3.15Å; K265-W267 VanDerWaalsContact C-N 3.33Å; K265-M268 PolarHBondContact O-N 3.33Å; K265-I269 HydrophobicContact CG-CD1 3.88Å; K265-I269 VanDerWaalsContact O-CG1 3.27Å; K265-I269 WeakPolarHBondContact O-CG1 3.41Å; K265-I269 PolarHBondContact O-N 1.99Å; K265-I269 VanDerWaalsContact O-N 3.1Å |
| 266 | A | 86.1 | Confident | 82.8 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L255 H263 M268 I269 K270 | L255-A266 HydrophobicContact CD2-CB 3.67Å; H263-A266 PolarHBondContact O-N 3.07Å; A266-M268 VanDerWaalsContact C-N 3.35Å; A266-M268 PolarHBondContact O-N 3.09Å; A266-I269 PolarHBondContact O-N 2.83Å; A266-K270 WeakPolarHBondContact O-CB 2.94Å; A266-K270 WeakPolarHBondContact O-CG 2.96Å; A266-K270 PolarHBondContact O-N 2.88Å |
| 267 | W | 87.4 | Confident | 80.5 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52.8 | -50.3 | 174.4 | -169.9 | -82.6 | 0 | 0 | 0 | 111.6 | H248 W249 C250 L255 S257 H263 S264 K265 N271 C272 P273 I275 | H248-W267 HydrophobicContact CB-CH2 3.51Å; H248-W267 HydrophobicContact CB-CZ2 4.02Å; H248-W267 HydrophobicContact CB-CZ3 4.35Å; H248-W267 WeakPolarHBondContact O-CH2 2.99Å; H248-W267 WeakPolarHBondContact O-CZ3 3.35Å; W249-W267 VanDerWaalsContact C-CH2 3.48Å; C250-W267 HydrophobicContact CB-CD2 4.23Å; C250-W267 HydrophobicContact CB-CE3 3.73Å; C250-W267 HydrophobicContact CB-CH2 3.67Å; C250-W267 HydrophobicContact CB-CZ2 4.18Å; C250-W267 HydrophobicContact CB-CZ3 3.44Å; C250-W267 VanDerWaalsContact CB-CZ3 3.44Å; L255-W267 HydrophobicContact CD1-CE3 3.54Å; L255-W267 HydrophobicContact CD1-CZ3 4.06Å; S257-W267 VanDerWaalsContact CB-CE3 3.48Å; H263-W267 WeakPolarHBondContact O-CB 3.24Å; H263-W267 PolarHBondContact O-N 3.19Å; S264-W267 WeakPolarHBondContact O-CB 3.48Å; S264-W267 PolarHBondContact O-N 2.94Å; K265-W267 VanDerWaalsContact C-N 3.33Å; W267-N271 PolarHBondContact O-N 2.97Å; W267-C272 HydrophobicContact CB-CB 4.5Å; W267-C272 VanDerWaalsContact CD1-CB 3.48Å; W267-C272 HydrophobicContact CD2-CB 3.54Å; W267-C272 HydrophobicContact CE3-CB 4.31Å; W267-C272 HydrophobicContact CG-CB 3.63Å; W267-C272 HydrophobicContact CZ2-CB 3.82Å; W267-C272 VanDerWaalsContact NE1-CB 3.25Å; W267-C272 VanDerWaalsContact O-CB 3.26Å; W267-C272 WeakPolarHBondContact O-CB 3.28Å; W267-C272 PolarHBondContact O-N 2.87Å; W267-C272 VanDerWaalsContact O-N 3.09Å; W267-C272 PolarHBondContact O-SG 3.14Å; W267-P273 PolarHBondContact NE1-O 3.12Å; W267-I275 HydrophobicContact CD2-CD1 3.96Å; W267-I275 VanDerWaalsContact CE2-CD1 3.49Å; W267-I275 HydrophobicContact CE3-CD1 4.28Å; W267-I275 HydrophobicContact CH2-CD1 3.86Å; W267-I275 HydrophobicContact CH2-CG1 4.27Å; W267-I275 HydrophobicContact CZ2-CD1 3.47Å; W267-I275 VanDerWaalsContact CZ2-CD1 3.47Å; W267-I275 HydrophobicContact CZ2-CG1 3.55Å; W267-I275 HydrophobicContact CZ3-CD1 4.23Å |
| 268 | M | 78.8 | Confident | 78.2 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.054 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.5 | -47.6 | 178.7 | -65.8 | 173.7 | 122.7 | 0 | 0 | 113 | C26 F28 S264 K265 A266 K270 N271 M280 | C26-M268 VanDerWaalsContact C-SD 3.59Å; C26-M268 HydrophobicContact CB-CB 3.88Å; C26-M268 HydrophobicContact CB-CE 4.3Å; C26-M268 HydrophobicContact CB-CG 4.44Å; C26-M268 HydrophobicContact CB-SD 3.53Å; C26-M268 VanDerWaalsContact CB-SD 3.53Å; C26-M268 VanDerWaalsContact SG-CB 3.5Å; F28-M268 HydrophobicContact CD1-CE 3.82Å; F28-M268 HydrophobicContact CD1-SD 4.42Å; F28-M268 HydrophobicContact CD2-CE 3.79Å; F28-M268 HydrophobicContact CD2-SD 3.61Å; F28-M268 HydrophobicContact CE1-CE 3.66Å; F28-M268 HydrophobicContact CE1-CG 4.19Å; F28-M268 HydrophobicContact CE1-SD 3.92Å; F28-M268 HydrophobicContact CE2-CE 3.67Å; F28-M268 HydrophobicContact CE2-CG 3.88Å; F28-M268 HydrophobicContact CE2-SD 3Å; F28-M268 WeakPolarHBondContact CE2-SD 3.47Å; F28-M268 HydrophobicContact CG-CE 3.89Å; F28-M268 HydrophobicContact CG-SD 4.3Å; F28-M268 HydrophobicContact CZ-CE 3.6Å; F28-M268 HydrophobicContact CZ-CG 3.47Å; F28-M268 VanDerWaalsContact CZ-CG 3.47Å; F28-M268 HydrophobicContact CZ-SD 3.19Å; F28-M268 WeakPolarHBondContact CZ-SD 3.1Å; S264-M268 WeakPolarHBondContact O-CG 3.39Å; S264-M268 PolarHBondContact O-N 3.3Å; S264-M268 VanDerWaalsContact O-N 3.16Å; K265-M268 PolarHBondContact O-N 3.33Å; A266-M268 VanDerWaalsContact C-N 3.35Å; A266-M268 PolarHBondContact O-N 3.09Å; M268-K270 PolarHBondContact O-N 3.48Å; M268-K270 VanDerWaalsContact O-N 3.12Å; M268-N271 PolarHBondContact O-N 3.16Å; M268-M280 HydrophobicContact CE-CE 3.33Å; M268-M280 HydrophobicContact CE-CG 4.07Å; M268-M280 HydrophobicContact CE-SD 3.55Å; M268-M280 VanDerWaalsContact CE-SD 3.55Å; M268-M280 HydrophobicContact CG-CE 4.31Å; M268-M280 HydrophobicContact CG-SD 4.47Å; M268-M280 HydrophobicContact SD-CE 4.34Å |
| 269 | I | 82.7 | Confident | 75.9 | Confident | 99 Ų | 99 | 67.5 Ų | 67.5 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58 | -31.2 | -177.3 | -71 | 168.7 | 0 | 0 | 0 | 111.2 | K265 A266 | K265-I269 HydrophobicContact CG-CD1 3.88Å; K265-I269 VanDerWaalsContact O-CG1 3.27Å; K265-I269 WeakPolarHBondContact O-CG1 3.41Å; K265-I269 PolarHBondContact O-N 1.99Å; K265-I269 VanDerWaalsContact O-N 3.1Å; A266-I269 PolarHBondContact O-N 2.83Å |
| 270 | K | 85.8 | Confident | 74.1 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 10 | 180 | -64.1 | -65.6 | -172.7 | 173.7 | 0 | 113.9 | T252 A253 A266 M268 C272 | T252-K270 WeakPolarHBondContact CG2-O 3.26Å; A253-K270 HydrophobicContact CB-CB 3.66Å; A253-K270 HydrophobicContact CB-CG 3.77Å; A266-K270 WeakPolarHBondContact O-CB 2.94Å; A266-K270 WeakPolarHBondContact O-CG 2.96Å; A266-K270 PolarHBondContact O-N 2.88Å; M268-K270 PolarHBondContact O-N 3.48Å; M268-K270 VanDerWaalsContact O-N 3.12Å; K270-C272 PolarHBondContact O-N 3.05Å |
| 271 | N | 81.7 | Confident | 72.3 | Confident | 145 Ų | 145 | 74 Ų | 74 | 78% | 0.775 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 40.5 | 178.9 | -61.8 | -42.5 | 0 | 0 | 0 | 113 | W267 M268 | W267-N271 PolarHBondContact O-N 2.97Å; M268-N271 PolarHBondContact O-N 3.16Å |
| 272 | C | 86.5 | Confident | 70.3 | Confident | 14 Ų | 14 | 78.6 Ų | 78.6 | 10% | 0.095 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 151.5 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | C250 W267 K270 | C250-C272 HydrophobicContact CB-CB 3.6Å; C250-C272 WeakPolarHBondContact CB-SG 3.5Å; C250-C272 WeakPolarHBondContact SG-CB 3.27Å; C250-C272 CovalentContact SG-SG 1.99Å; C250-C272 PolarHBondContact SG-SG 3.48Å; W267-C272 HydrophobicContact CB-CB 4.5Å; W267-C272 VanDerWaalsContact CD1-CB 3.48Å; W267-C272 HydrophobicContact CD2-CB 3.54Å; W267-C272 HydrophobicContact CE3-CB 4.31Å; W267-C272 HydrophobicContact CG-CB 3.63Å; W267-C272 HydrophobicContact CZ2-CB 3.82Å; W267-C272 VanDerWaalsContact NE1-CB 3.25Å; W267-C272 VanDerWaalsContact O-CB 3.26Å; W267-C272 WeakPolarHBondContact O-CB 3.28Å; W267-C272 PolarHBondContact O-N 2.87Å; W267-C272 VanDerWaalsContact O-N 3.09Å; W267-C272 PolarHBondContact O-SG 3.14Å; K270-C272 PolarHBondContact O-N 3.05Å |
| 273 | P | 80.5 | Confident | 68.4 | Low | 93 Ų | 93 | 82.5 Ų | 82.5 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 148.6 | 179.2 | -25.6 | 34.6 | 0 | 0 | 0 | 112.3 | W267 I275 | W267-P273 PolarHBondContact NE1-O 3.12Å; P273-I275 PolarHBondContact O-N 3.36Å |
| 274 | K | 69.5 | Low | 66.5 | Low | 117 Ų | 117 | 85.4 Ų | 85.4 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 122.9 | 176.4 | -69.2 | -174.1 | -179.1 | -176.3 | 0 | 109.3 | M280 | K274-M280 HydrophobicContact CD-CB 4.45Å; K274-M280 PolarHBondContact NZ-O 2.95Å |
| 275 | I | 67.8 | Low | 65 | Low | 29 Ų | 29 | 94 Ų | 94 | 15% | 0.149 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -79.4 | 116.2 | 166.8 | -63.1 | 170.6 | 0 | 0 | 0 | 105.8 | H248 W267 P273 | H248-I275 HydrophobicContact CB-CD1 3.8Å; H248-I275 HydrophobicContact CB-CG1 3.81Å; H248-I275 WeakPolarHBondContact CD2-CG2 3.15Å; H248-I275 VanDerWaalsContact NE2-CG2 3.28Å; H248-I275 WeakPolarHBondContact NE2-CG2 3.11Å; W267-I275 HydrophobicContact CD2-CD1 3.96Å; W267-I275 VanDerWaalsContact CE2-CD1 3.49Å; W267-I275 HydrophobicContact CE3-CD1 4.28Å; W267-I275 HydrophobicContact CH2-CD1 3.86Å; W267-I275 HydrophobicContact CH2-CG1 4.27Å; W267-I275 HydrophobicContact CZ2-CD1 3.47Å; W267-I275 VanDerWaalsContact CZ2-CD1 3.47Å; W267-I275 HydrophobicContact CZ2-CG1 3.55Å; W267-I275 HydrophobicContact CZ3-CD1 4.23Å; P273-I275 PolarHBondContact O-N 3.36Å |
| 276 | D | 59.5 | Low | 63.9 | Low | 83 Ų | 83 | 92.5 Ų | 92.5 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 65.1 | 140.3 | -169.5 | -54.5 | -38 | 0 | 0 | 0 | 115.5 | K278 | D276-K278 PolarHBondContact O-N 3.39Š|
| 277 | N | 44.6 | Very low | 62.5 | Low | 178 Ų | 178 | 92.8 Ų | 92.8 | 95% | 0.952 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -63.6 | 20.5 | 179.2 | -79.5 | -33.7 | 0 | 0 | 0 | 115.3 | ||
| 278 | K | 45.2 | Very low | 61.4 | Low | 119 Ų | 119 | 96 Ų | 96 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | trans | -80.2 | 129.1 | 177.3 | -82.8 | 177.9 | 177 | 176.9 | 0 | 110.1 | H32 D276 M280 | H32-K278 VanDerWaalsContact CE1-CB 3.47Å; H32-K278 WeakPolarHBondContact CE1-CB 3.25Å; H32-K278 WeakPolarHBondContact CE1-CD 3.36Å; H32-K278 WeakPolarHBondContact NE2-CD 3.24Å; D276-K278 PolarHBondContact O-N 3.39Å; K278-M280 PolarHBondContact O-N 3.28Å | ||
| 279 | P | 38.7 | Very low | 60.9 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 70% | 0.695 | 50% | 0.503 | S | S | * | . | trans | -68.4 | 101.8 | -174.9 | 27.1 | -33.1 | 0 | 0 | 0 | 109.8 | F281 | P279-F281 PolarHBondContact O-N 3.47Š| ||
| 280 | M | 45.9 | Very low | 60.3 | Low | 69 Ų | 69 | 97.6 Ų | 97.6 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | trans | -53 | 112.7 | 150.1 | -173.5 | 173.8 | 161.5 | 0 | 0 | 106.1 | N25 M268 K274 K278 N282 | N25-M280 VanDerWaalsContact O-CE 3.24Å; N25-M280 WeakPolarHBondContact O-CE 3.5Å; M268-M280 HydrophobicContact CE-CE 3.33Å; M268-M280 HydrophobicContact CE-CG 4.07Å; M268-M280 HydrophobicContact CE-SD 3.55Å; M268-M280 VanDerWaalsContact CE-SD 3.55Å; M268-M280 HydrophobicContact CG-CE 4.31Å; M268-M280 HydrophobicContact CG-SD 4.47Å; M268-M280 HydrophobicContact SD-CE 4.34Å; K274-M280 HydrophobicContact CD-CB 4.45Å; K274-M280 PolarHBondContact NZ-O 2.95Å; K278-M280 PolarHBondContact O-N 3.28Å; M280-N282 PolarHBondContact O-N 3.27Å | ||
| 281 | F | 46.8 | Very low | 59.9 | Low | 140 Ų | 140 | 94.2 Ų | 94.2 | 61% | 0.614 | 49% | 0.49 | S | S | * | . | trans | -43.4 | 115 | -176.1 | -110.2 | -92.4 | 0 | 0 | 0 | 108.8 | P279 Y283 | P279-F281 PolarHBondContact O-N 3.47Å; F281-Y283 PolarHBondContact O-N 3.36Å | ||
| 282 | N | 44.8 | Very low | 59.8 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | trans | -71.7 | 82.8 | 172.8 | -108.9 | -4.8 | 0 | 0 | 0 | 106.7 | M280 L284 Y285 | M280-N282 PolarHBondContact O-N 3.27Å; N282-L284 HydrophobicContact CB-CB 4.5Å; N282-L284 PolarHBondContact O-N 3.39Å; N282-Y285 HydrophobicContact CB-CD2 3.95Å; N282-Y285 HydrophobicContact CB-CE2 4.34Å; N282-Y285 PolarHBondContact O-N 2.88Å | ||
| 283 | Y | 48.9 | Very low | 59.5 | Low | 91 Ų | 91 | 92.4 Ų | 92.4 | 36% | 0.357 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -14.1 | 169.9 | -121.5 | -79.5 | 0 | 0 | 0 | 111.7 | N25 F281 Y285 V286 L287 | N25-Y283 WeakPolarHBondContact OD1-CB 3.47Å; N25-Y283 WeakPolarHBondContact OD1-CD2 3.26Å; F281-Y283 PolarHBondContact O-N 3.36Å; Y283-Y285 PolarHBondContact O-N 2.89Å; Y283-V286 HydrophobicContact CD1-CB 4.38Å; Y283-V286 PolarHBondContact O-N 3.27Å; Y283-V286 VanDerWaalsContact O-N 3.09Å; Y283-L287 HydrophobicContact CD1-CD1 3.58Å; Y283-L287 HydrophobicContact CD1-CG 3.91Å; Y283-L287 HydrophobicContact CE1-CD1 4.44Å; Y283-L287 HydrophobicContact CG-CD1 4.2Å; Y283-L287 WeakPolarHBondContact O-CB 3.26Å; Y283-L287 PolarHBondContact O-N 3.47Å |
| 284 | L | 49.8 | Very low | 59.6 | Low | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -47.7 | -40.7 | 166 | -127.7 | 85.6 | 0 | 0 | 0 | 112.4 | N282 V286 I288 | N282-L284 HydrophobicContact CB-CB 4.5Å; N282-L284 PolarHBondContact O-N 3.39Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.36Å; L284-I288 HydrophobicContact CB-CD1 4.28Å; L284-I288 HydrophobicContact CD2-CD1 3.76Å; L284-I288 HydrophobicContact CG-CD1 3.64Å; L284-I288 HydrophobicContact CG-CG1 4.31Å; L284-I288 WeakPolarHBondContact O-CB 3.42Å; L284-I288 WeakPolarHBondContact O-CD1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.36Å; L284-I288 PolarHBondContact O-N 2.82Å |
| 285 | Y | 53.7 | Low | 60.2 | Low | 185 Ų | 185 | 91.3 Ų | 91.3 | 73% | 0.725 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75.4 | -18 | -178.7 | -76.1 | -75.5 | 0 | 0 | 0 | 114.5 | N282 Y283 P289 | N282-Y285 HydrophobicContact CB-CD2 3.95Å; N282-Y285 HydrophobicContact CB-CE2 4.34Å; N282-Y285 PolarHBondContact O-N 2.88Å; Y283-Y285 PolarHBondContact O-N 2.89Å; Y285-P289 WeakPolarHBondContact O-CD 3.31Å; Y285-P289 WeakPolarHBondContact O-CG 3.46Å |
| 286 | V | 56.8 | Low | 61 | Low | 96 Ų | 96 | 95.2 Ų | 95.2 | 58% | 0.582 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -101.4 | -38.5 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | Y283 L284 S290 | Y283-V286 HydrophobicContact CD1-CB 4.38Å; Y283-V286 PolarHBondContact O-N 3.27Å; Y283-V286 VanDerWaalsContact O-N 3.09Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.36Å; V286-S290 VanDerWaalsContact O-CB 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.21Å; V286-S290 PolarHBondContact O-N 2.88Å |
| 287 | L | 57.5 | Low | 62.2 | Low | 45 Ų | 45 | 95 Ų | 95 | 24% | 0.236 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -73 | -37 | 177.6 | -85.5 | 155 | 0 | 0 | 0 | 112.4 | N25 Y283 S290 V291 | N25-L287 WeakPolarHBondContact ND2-CD1 3.3Å; Y283-L287 HydrophobicContact CD1-CD1 3.58Å; Y283-L287 HydrophobicContact CD1-CG 3.91Å; Y283-L287 HydrophobicContact CE1-CD1 4.44Å; Y283-L287 HydrophobicContact CG-CD1 4.2Å; Y283-L287 WeakPolarHBondContact O-CB 3.26Å; Y283-L287 PolarHBondContact O-N 3.47Å; L287-S290 PolarHBondContact O-N 3.29Å; L287-V291 HydrophobicContact CD2-CG2 4.44Å; L287-V291 VanDerWaalsContact O-CB 3.29Å; L287-V291 WeakPolarHBondContact O-CB 3.29Å; L287-V291 WeakPolarHBondContact O-CG2 3.49Å; L287-V291 PolarHBondContact O-N 2.82Å |
| 288 | I | 64.9 | Low | 64.2 | Low | 82 Ų | 82 | 89.9 Ų | 89.9 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -52.2 | 179.2 | -69.8 | 170.5 | 0 | 0 | 0 | 110.5 | L284 S290 V291 I292 | L284-I288 HydrophobicContact CB-CD1 4.28Å; L284-I288 HydrophobicContact CD2-CD1 3.76Å; L284-I288 HydrophobicContact CG-CD1 3.64Å; L284-I288 HydrophobicContact CG-CG1 4.31Å; L284-I288 WeakPolarHBondContact O-CB 3.42Å; L284-I288 WeakPolarHBondContact O-CD1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.36Å; L284-I288 PolarHBondContact O-N 2.82Å; I288-S290 VanDerWaalsContact C-N 3.34Å; I288-S290 PolarHBondContact O-N 3.49Å; I288-V291 PolarHBondContact O-N 3.24Å; I288-I292 HydrophobicContact CG2-CD1 3.42Å; I288-I292 VanDerWaalsContact CG2-CD1 3.42Å; I288-I292 HydrophobicContact CG2-CG1 4.23Å; I288-I292 VanDerWaalsContact O-CB 3.23Å; I288-I292 WeakPolarHBondContact O-CB 3.25Å; I288-I292 WeakPolarHBondContact O-CD1 3.25Å; I288-I292 WeakPolarHBondContact O-CG1 3.49Å; I288-I292 PolarHBondContact O-N 3.25Å |
| 289 | P | 68.3 | Low | 66.2 | Low | 77 Ų | 77 | 88 Ų | 88 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 177.2 | -23.1 | 35 | 0 | 0 | 0 | 113.6 | Y285 G293 | Y285-P289 WeakPolarHBondContact O-CD 3.31Å; Y285-P289 WeakPolarHBondContact O-CG 3.46Å; P289-G293 PolarHBondContact O-N 2.79Å |
| 290 | S | 69.8 | Low | 68.5 | Low | 67 Ų | 67 | 84.8 Ų | 84.8 | 47% | 0.469 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | V286 L287 I288 G293 L294 | V286-S290 VanDerWaalsContact O-CB 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.21Å; V286-S290 PolarHBondContact O-N 2.88Å; L287-S290 PolarHBondContact O-N 3.29Å; I288-S290 VanDerWaalsContact C-N 3.34Å; I288-S290 PolarHBondContact O-N 3.49Å; S290-G293 PolarHBondContact O-N 3.37Å; S290-L294 PolarHBondContact O-N 3.38Å |
| 291 | V | 75.8 | Confident | 70.4 | Confident | 40 Ų | 40 | 87.6 Ų | 87.6 | 24% | 0.242 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 175.6 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | V17 L287 I288 G293 L294 V295 | V17-V291 HydrophobicContact CG1-CG1 4.2Å; V17-V291 HydrophobicContact CG1-CG2 4.28Å; V17-V291 HydrophobicContact CG2-CG1 4.48Å; L287-V291 HydrophobicContact CD2-CG2 4.44Å; L287-V291 VanDerWaalsContact O-CB 3.29Å; L287-V291 WeakPolarHBondContact O-CB 3.29Å; L287-V291 WeakPolarHBondContact O-CG2 3.49Å; L287-V291 PolarHBondContact O-N 2.82Å; I288-V291 PolarHBondContact O-N 3.24Å; V291-G293 VanDerWaalsContact C-N 3.33Å; V291-G293 PolarHBondContact O-N 2.97Å; V291-L294 PolarHBondContact O-N 2.89Å; V291-V295 HydrophobicContact CG1-CG2 4.37Å; V291-V295 WeakPolarHBondContact O-CB 3.35Å; V291-V295 VanDerWaalsContact O-CG2 3.24Å; V291-V295 WeakPolarHBondContact O-CG2 3.28Å; V291-V295 PolarHBondContact O-N 3.23Å |
| 292 | I | 79.6 | Confident | 72.3 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 173.4 | -71.3 | 171.7 | 0 | 0 | 0 | 110.3 | I288 V295 I296 | I288-I292 HydrophobicContact CG2-CD1 3.42Å; I288-I292 VanDerWaalsContact CG2-CD1 3.42Å; I288-I292 HydrophobicContact CG2-CG1 4.23Å; I288-I292 VanDerWaalsContact O-CB 3.23Å; I288-I292 WeakPolarHBondContact O-CB 3.25Å; I288-I292 WeakPolarHBondContact O-CD1 3.25Å; I288-I292 WeakPolarHBondContact O-CG1 3.49Å; I288-I292 PolarHBondContact O-N 3.25Å; I292-V295 PolarHBondContact O-N 3.22Å; I292-I296 HydrophobicContact CG2-CD1 3.6Å; I292-I296 HydrophobicContact CG2-CG1 4.28Å; I292-I296 WeakPolarHBondContact O-CB 3.41Å; I292-I296 VanDerWaalsContact O-CG1 3.23Å; I292-I296 WeakPolarHBondContact O-CG1 3.37Å; I292-I296 PolarHBondContact O-N 3.05Å |
| 293 | G | 80.4 | Confident | 74.3 | Confident | 30 Ų | 30 | 85.6 Ų | 85.6 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P289 S290 V291 V295 I296 V297 | P289-G293 PolarHBondContact O-N 2.79Å; S290-G293 PolarHBondContact O-N 3.37Å; V291-G293 VanDerWaalsContact C-N 3.33Å; V291-G293 PolarHBondContact O-N 2.97Å; G293-V295 PolarHBondContact O-N 3Å; G293-I296 PolarHBondContact O-N 3.05Å; G293-V297 VanDerWaalsContact O-CG2 3.29Å; G293-V297 WeakPolarHBondContact O-CG2 3.29Å; G293-V297 PolarHBondContact O-N 3.32Å |
| 294 | L | 82.7 | Confident | 76 | Confident | 109 Ų | 109 | 89.1 Ų | 89.1 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 174.8 | -92.7 | 163.1 | 0 | 0 | 0 | 112.3 | S290 V291 V297 C298 | S290-L294 PolarHBondContact O-N 3.38Å; V291-L294 PolarHBondContact O-N 2.89Å; L294-V297 PolarHBondContact O-N 2.73Å; L294-C298 WeakPolarHBondContact O-CB 3.47Å; L294-C298 PolarHBondContact O-N 2.9Å; L294-C298 PolarHBondContact O-SG 3.44Å |
| 295 | V | 83.4 | Confident | 77.7 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V291 I292 G293 V297 C298 V299 | V291-V295 HydrophobicContact CG1-CG2 4.37Å; V291-V295 WeakPolarHBondContact O-CB 3.35Å; V291-V295 VanDerWaalsContact O-CG2 3.24Å; V291-V295 WeakPolarHBondContact O-CG2 3.28Å; V291-V295 PolarHBondContact O-N 3.23Å; I292-V295 PolarHBondContact O-N 3.22Å; G293-V295 PolarHBondContact O-N 3Å; V295-V297 PolarHBondContact O-N 2.89Å; V295-C298 PolarHBondContact O-N 3.26Å; V295-V299 HydrophobicContact CG1-CG2 4.26Å; V295-V299 WeakPolarHBondContact O-CB 3.24Å; V295-V299 VanDerWaalsContact O-CG2 3.24Å; V295-V299 WeakPolarHBondContact O-CG2 3.23Å; V295-V299 PolarHBondContact O-N 2.89Å |
| 296 | I | 84.8 | Confident | 79.1 | Confident | 110 Ų | 110 | 88.2 Ų | 88.2 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 176.4 | -69.4 | 167 | 0 | 0 | 0 | 110.8 | I292 G293 V299 G300 | I292-I296 HydrophobicContact CG2-CD1 3.6Å; I292-I296 HydrophobicContact CG2-CG1 4.28Å; I292-I296 WeakPolarHBondContact O-CB 3.41Å; I292-I296 VanDerWaalsContact O-CG1 3.23Å; I292-I296 WeakPolarHBondContact O-CG1 3.37Å; I292-I296 PolarHBondContact O-N 3.05Å; G293-I296 PolarHBondContact O-N 3.05Å; I296-V299 PolarHBondContact O-N 3.35Å; I296-G300 PolarHBondContact O-N 3.21Å |
| 297 | V | 84.4 | Confident | 80.5 | Confident | 80 Ų | 80 | 88.5 Ų | 88.5 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | G293 L294 V295 G300 F301 | G293-V297 VanDerWaalsContact O-CG2 3.29Å; G293-V297 WeakPolarHBondContact O-CG2 3.29Å; G293-V297 PolarHBondContact O-N 3.32Å; L294-V297 PolarHBondContact O-N 2.73Å; V295-V297 PolarHBondContact O-N 2.89Å; V297-G300 PolarHBondContact O-N 2.97Å; V297-F301 HydrophobicContact CG1-CD2 3.77Å; V297-F301 HydrophobicContact CG1-CE2 3.94Å; V297-F301 WeakPolarHBondContact O-CD2 3.12Å; V297-F301 PolarHBondContact O-N 2.85Å |
| 298 | C | 86.4 | Confident | 81.7 | Confident | 70 Ų | 70 | 89 Ų | 89 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.1 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | L294 V295 G300 F301 I302 | L294-C298 WeakPolarHBondContact O-CB 3.47Å; L294-C298 PolarHBondContact O-N 2.9Å; L294-C298 PolarHBondContact O-SG 3.44Å; V295-C298 PolarHBondContact O-N 3.26Å; C298-G300 VanDerWaalsContact C-N 3.34Å; C298-F301 PolarHBondContact O-N 2.88Å; C298-I302 VanDerWaalsContact O-CG1 3.25Å; C298-I302 WeakPolarHBondContact O-CG1 3.23Å; C298-I302 PolarHBondContact O-N 3.34Å |
| 299 | V | 87.3 | Confident | 82.6 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | V295 I296 F301 I302 V303 | V295-V299 HydrophobicContact CG1-CG2 4.26Å; V295-V299 WeakPolarHBondContact O-CB 3.24Å; V295-V299 VanDerWaalsContact O-CG2 3.24Å; V295-V299 WeakPolarHBondContact O-CG2 3.23Å; V295-V299 PolarHBondContact O-N 2.89Å; I296-V299 PolarHBondContact O-N 3.35Å; V299-F301 PolarHBondContact O-N 3.44Å; V299-I302 PolarHBondContact O-N 3.49Å; V299-V303 HydrophobicContact CG1-CG2 4.29Å; V299-V303 WeakPolarHBondContact O-CB 3.02Å; V299-V303 VanDerWaalsContact O-CG2 3.28Å; V299-V303 WeakPolarHBondContact O-CG2 3.19Å; V299-V303 PolarHBondContact O-N 3.27Å |
| 300 | G | 86.1 | Confident | 82.9 | Confident | 40 Ų | 40 | 97.3 Ų | 97.3 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I296 V297 C298 V303 W304 | I296-G300 PolarHBondContact O-N 3.21Å; V297-G300 PolarHBondContact O-N 2.97Å; C298-G300 VanDerWaalsContact C-N 3.34Å; G300-V303 PolarHBondContact O-N 2.81Å; G300-W304 VanDerWaalsContact O-CB 3.25Å; G300-W304 WeakPolarHBondContact O-CB 3.49Å; G300-W304 PolarHBondContact O-N 3.44Å |
| 301 | F | 86.2 | Confident | 82.7 | Confident | 128 Ų | 128 | 105.2 Ų | 105.2 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 174.9 | -97.6 | -78.2 | 0 | 0 | 0 | 112.5 | V297 C298 V299 W304 F305 | V297-F301 HydrophobicContact CG1-CD2 3.77Å; V297-F301 HydrophobicContact CG1-CE2 3.94Å; V297-F301 WeakPolarHBondContact O-CD2 3.12Å; V297-F301 PolarHBondContact O-N 2.85Å; C298-F301 PolarHBondContact O-N 2.88Å; V299-F301 PolarHBondContact O-N 3.44Å; F301-W304 HydrophobicContact CD1-CE3 4.05Å; F301-W304 HydrophobicContact CD1-CZ3 4.31Å; F301-W304 HydrophobicContact CE1-CE3 4.23Å; F301-W304 HydrophobicContact CE1-CZ3 4.12Å; F301-W304 PolarHBondContact O-N 2.85Å; F301-F305 VanDerWaalsContact O-CB 3.26Å; F301-F305 WeakPolarHBondContact O-CB 3.34Å; F301-F305 PolarHBondContact O-N 2.9Å |
| 302 | I | 87.1 | Confident | 83 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 59% | 0.59 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.4 | -46.3 | 177.8 | -68.5 | 164.7 | 0 | 0 | 0 | 110.3 | C298 V299 F305 W306 | C298-I302 VanDerWaalsContact O-CG1 3.25Å; C298-I302 WeakPolarHBondContact O-CG1 3.23Å; C298-I302 PolarHBondContact O-N 3.34Å; V299-I302 PolarHBondContact O-N 3.49Å; I302-F305 PolarHBondContact O-N 3.5Å; I302-W306 WeakPolarHBondContact O-CB 3.08Å; I302-W306 PolarHBondContact O-N 2.84Å |
| 303 | V | 86.5 | Confident | 83.2 | Confident | 78 Ų | 78 | 109.4 Ų | 109.4 | 47% | 0.473 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -44.1 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | V299 G300 W306 L307 | V299-V303 HydrophobicContact CG1-CG2 4.29Å; V299-V303 WeakPolarHBondContact O-CB 3.02Å; V299-V303 VanDerWaalsContact O-CG2 3.28Å; V299-V303 WeakPolarHBondContact O-CG2 3.19Å; V299-V303 PolarHBondContact O-N 3.27Å; G300-V303 PolarHBondContact O-N 2.81Å; V303-W306 PolarHBondContact O-N 2.79Å; V303-L307 HydrophobicContact CG1-CD1 3.94Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; V303-L307 WeakPolarHBondContact O-CG 3.16Å; V303-L307 PolarHBondContact O-N 2.87Å |
| 304 | W | 85.1 | Confident | 83.3 | Confident | 165 Ų | 165 | 113.8 Ų | 113.8 | 63% | 0.625 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.1 | -46.3 | 177 | 177.9 | 59.1 | 0 | 0 | 0 | 112.2 | G300 F301 W306 L307 S308 | G300-W304 VanDerWaalsContact O-CB 3.25Å; G300-W304 WeakPolarHBondContact O-CB 3.49Å; G300-W304 PolarHBondContact O-N 3.44Å; F301-W304 HydrophobicContact CD1-CE3 4.05Å; F301-W304 HydrophobicContact CD1-CZ3 4.31Å; F301-W304 HydrophobicContact CE1-CE3 4.23Å; F301-W304 HydrophobicContact CE1-CZ3 4.12Å; F301-W304 PolarHBondContact O-N 2.85Å; W304-W306 VanDerWaalsContact C-N 3.25Å; W304-W306 PolarHBondContact O-N 2.86Å; W304-L307 PolarHBondContact O-N 3.4Å; W304-S308 WeakPolarHBondContact O-CB 3.37Å; W304-S308 PolarHBondContact O-N 3.04Å; W304-S308 PolarHBondContact O-OG 3.09Å |
| 305 | F | 84.4 | Confident | 83.4 | Confident | 118 Ų | 118 | 114.1 Ų | 114.1 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -32.3 | 176.1 | -172.6 | -97.7 | 0 | 0 | 0 | 112.7 | F301 I302 S308 K309 | F301-F305 VanDerWaalsContact O-CB 3.26Å; F301-F305 WeakPolarHBondContact O-CB 3.34Å; F301-F305 PolarHBondContact O-N 2.9Å; I302-F305 PolarHBondContact O-N 3.5Å; F305-S308 PolarHBondContact O-OG 3.49Å; F305-S308 VanDerWaalsContact O-OG 3.14Å; F305-K309 HydrophobicContact CE1-CD 4.19Å; F305-K309 PolarHBondContact O-N 3.3Å |
| 306 | W | 84 | Confident | 83.4 | Confident | 153 Ų | 153 | 116.3 Ų | 116.3 | 58% | 0.58 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.1 | -35.4 | 177.2 | -145.6 | 81.7 | 0 | 0 | 0 | 112.6 | I302 V303 W304 R310 | I302-W306 WeakPolarHBondContact O-CB 3.08Å; I302-W306 PolarHBondContact O-N 2.84Å; V303-W306 PolarHBondContact O-N 2.79Å; W304-W306 VanDerWaalsContact C-N 3.25Å; W304-W306 PolarHBondContact O-N 2.86Å; W306-R310 VanDerWaalsContact CH2-CZ 3.43Å |
| 307 | L | 85.2 | Confident | 83.3 | Confident | 103 Ų | 103 | 116.7 Ų | 116.7 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.1 | -39.7 | 174.3 | -71.9 | 172.9 | 0 | 0 | 0 | 112.1 | V303 W304 K309 R310 | V303-L307 HydrophobicContact CG1-CD1 3.94Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; V303-L307 WeakPolarHBondContact O-CG 3.16Å; V303-L307 PolarHBondContact O-N 2.87Å; W304-L307 PolarHBondContact O-N 3.4Å; L307-K309 VanDerWaalsContact C-N 3.25Å; L307-K309 PolarHBondContact O-N 3.42Å; L307-R310 PolarHBondContact O-N 2.98Å |
| 308 | S | 83.5 | Confident | 83.2 | Confident | 55 Ų | 55 | 119.4 Ų | 119.4 | 39% | 0.385 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.8 | -22.6 | 179.6 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | W304 F305 | W304-S308 WeakPolarHBondContact O-CB 3.37Å; W304-S308 PolarHBondContact O-N 3.04Å; W304-S308 PolarHBondContact O-OG 3.09Å; F305-S308 PolarHBondContact O-OG 3.49Å; F305-S308 VanDerWaalsContact O-OG 3.14Å |
| 309 | K | 82.6 | Confident | 83 | Confident | 153 Ų | 153 | 123.2 Ų | 123.2 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -9.6 | 171.5 | -82.4 | -168.1 | 174.9 | -173.2 | 0 | 114.5 | F305 L307 | F305-K309 HydrophobicContact CE1-CD 4.19Å; F305-K309 PolarHBondContact O-N 3.3Å; L307-K309 VanDerWaalsContact C-N 3.25Å; L307-K309 PolarHBondContact O-N 3.42Å |
| 310 | R | 76 | Confident | 82.6 | Confident | 180 Ų | 180 | 126.8 Ų | 126.8 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -13.6 | 179.7 | -82.4 | -173.6 | 172.1 | -159.4 | -5.3 | 113.7 | W306 L307 | W306-R310 VanDerWaalsContact CH2-CZ 3.43Å; L307-R310 PolarHBondContact O-N 2.98Å |
| 311 | Q | 64.4 | Low | 82.3 | Confident | 234 Ų | 234 | 134.7 Ų | 134.7 | 100% | 1.093 | 61% | 0.61 | S | S | * | * | trans | -89.6 | 0 | 167.1 | -70.4 | -175.3 | -23.8 | 0 | 0 | 109.8 |
Retrieved 311 of 311 residues in 147 ms
(Link to these results)