| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 37.7 | Very low | 254 Ų | 254 | 147.7 Ų | 147.7 | 100% | 1.251 | 84% | 0.842 | S | S | * | * | 0 | 122.9 | 0 | -77.1 | -159.5 | -97.2 | 0 | 0 | 108 | |||||
| 2 | G | 33.5 | Very low | 38 | Very low | 79 Ų | 79 | 144.5 Ų | 144.5 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 157.4 | 98.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | N | 36.7 | Very low | 38.7 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 168.8 | -174.9 | -72.1 | -19 | 0 | 0 | 0 | 114.7 | ||||
| 4 | Q | 33.7 | Very low | 39.2 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | 133.1 | 104.3 | 136.4 | -70.5 | 170.8 | 28.9 | 0 | 0 | 110.3 | ||||
| 5 | L | 39.5 | Very low | 40 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | 49.3 | 135.1 | 76.6 | -79.1 | 173.7 | 0 | 0 | 0 | 114.7 | |||||
| 6 | T | 35 | Very low | 40.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 84.9 | 133.4 | 168 | 81 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 7 | D | 31.9 | Very low | 41.1 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | cis | -151.5 | 143.3 | 11.7 | -95.2 | -42.5 | 0 | 0 | 0 | 110.9 | A9 | D7-A9 PolarHBondContact O-N 3.38Å; D7-A9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | I | 41.3 | Very low | 41.6 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -67.3 | 100.7 | 162.9 | -63.6 | 165 | 0 | 0 | 0 | 106.5 | P10 | I8-P10 WeakPolarHBondContact O-CD 3.47Š| ||
| 9 | A | 36.2 | Very low | 43.3 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | -64.5 | 123.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | D7 | D7-A9 PolarHBondContact O-N 3.38Å; D7-A9 VanDerWaalsContact O-N 3.08Å | ||
| 10 | P | 40.9 | Very low | 45.6 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | -68.7 | 140.7 | 175 | 28 | -31.4 | 0 | 0 | 0 | 108.9 | I8 T12 | I8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-T12 VanDerWaalsContact C-N 3.26Å; P10-T12 PolarHBondContact O-N 3.21Å | ||
| 11 | N | 43.5 | Very low | 48 | Very low | 179 Ų | 179 | 122.8 Ų | 122.8 | 96% | 0.957 | 69% | 0.688 | S | S | * | * | trans | -51.5 | 85.8 | 170.9 | -90 | -43.7 | 0 | 0 | 0 | 111.1 | S13 | N11-S13 PolarHBondContact O-N 3.07Š| ||
| 12 | T | 41.6 | Very low | 50.6 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | -82.7 | 111.8 | 170.6 | 45.4 | 0 | 0 | 0 | 0 | 107 | P10 F14 | P10-T12 VanDerWaalsContact C-N 3.26Å; P10-T12 PolarHBondContact O-N 3.21Å; T12-F14 PolarHBondContact O-N 2.72Å | ||
| 13 | S | 46.3 | Very low | 53.7 | Low | 90 Ų | 90 | 111.7 Ų | 111.7 | 63% | 0.629 | 61% | 0.611 | S | S | * | * | trans | -61.6 | 89.9 | 172.5 | 53.9 | 0 | 0 | 0 | 0 | 109.2 | N11 L15 | N11-S13 PolarHBondContact O-N 3.07Å; S13-L15 PolarHBondContact O-N 3.17Å | ||
| 14 | F | 45.9 | Very low | 56.6 | Low | 163 Ų | 163 | 104.3 Ų | 104.3 | 72% | 0.715 | 57% | 0.572 | S | S | * | * | trans | -69 | 96.4 | 177.9 | -140.2 | -95 | 0 | 0 | 0 | 107.8 | T12 | T12-F14 PolarHBondContact O-N 2.72Š| ||
| 15 | L | 51.1 | Low | 59.7 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 38% | 0.382 | 54% | 0.535 | S | S | . | . | trans | -70.9 | 129.8 | 152.7 | -70.2 | 162.7 | 0 | 0 | 0 | 105.5 | S13 S17 L187 | S13-L15 PolarHBondContact O-N 3.17Å; L15-S17 PolarHBondContact O-N 3.41Å; L15-S17 VanDerWaalsContact O-N 3.11Å; L15-L187 HydrophobicContact CD1-CD1 3.64Å; L15-L187 HydrophobicContact CD1-CD2 3.31Å; L15-L187 HydrophobicContact CD1-CG 4.05Å; L15-L187 HydrophobicContact CD2-CD2 4.45Å | ||
| 16 | P | 47.6 | Very low | 62.6 | Low | 84 Ų | 84 | 88.5 Ų | 88.5 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | trans | -54.5 | 124.6 | 177.2 | -19.1 | 29.4 | 0 | 0 | 0 | 108.8 | F18 | P16-F18 PolarHBondContact O-N 3.23Š| ||
| 17 | S | 50.8 | Low | 65.6 | Low | 83 Ų | 83 | 82.8 Ų | 82.8 | 58% | 0.58 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 16.2 | -168.2 | 40.6 | 0 | 0 | 0 | 0 | 115.9 | L15 | L15-S17 PolarHBondContact O-N 3.41Å; L15-S17 VanDerWaalsContact O-N 3.11Å |
| 18 | F | 51.5 | Low | 68.8 | Low | 189 Ų | 189 | 76.3 Ų | 76.3 | 83% | 0.829 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 4.4 | -172.1 | -62 | -73.2 | 0 | 0 | 0 | 116.1 | P16 C20 | P16-F18 PolarHBondContact O-N 3.23Å; F18-C20 PolarHBondContact O-N 3.45Å |
| 19 | Q | 73.3 | Confident | 71.5 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 58% | 0.575 | 40% | 0.395 | S | S | * | . | trans | -78.1 | 112.9 | 178.3 | -93.9 | -177.9 | -0.9 | 0 | 0 | 112.1 | ||||
| 20 | C | 89.6 | Confident | 74.4 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | trans | -65.6 | 127.1 | 163.8 | -162.6 | 0 | 0 | 0 | 0 | 108.8 | F18 N70 Q72 | F18-C20 PolarHBondContact O-N 3.45Å; C20-N70 CarbonylContact C-O 3.4Å; C20-N70 WeakPolarHBondContact CA-O 3.46Å; C20-N70 HydrophobicContact CB-CB 4.4Å; C20-N70 PolarHBondContact SG-O 3.21Å; C20-Q72 PolarHBondContact SG-N 3.22Å | ||
| 21 | L | 95.8 | Very high | 77.1 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.5 | 179.4 | -65.8 | 175 | 0 | 0 | 0 | 110.4 | V23 N70 F71 Q72 D94 Y183 I186 | L21-V23 PolarHBondContact O-N 3.4Å; L21-N70 PolarHBondContact N-O 3.06Å; L21-F71 HydrophobicContact CB-CD1 3.93Å; L21-F71 HydrophobicContact CB-CE1 4.18Å; L21-F71 HydrophobicContact CD1-CD1 4.19Å; L21-F71 HydrophobicContact CD1-CE1 3.64Å; L21-F71 HydrophobicContact CD1-CZ 4.38Å; L21-F71 HydrophobicContact CG-CE1 4.44Å; L21-F71 CarbonylContact O-C 3.52Å; L21-F71 WeakPolarHBondContact O-CA 3.44Å; L21-Q72 PolarHBondContact O-N 3.36Å; L21-D94 VanDerWaalsContact CA-OD2 3.32Å; L21-D94 WeakPolarHBondContact CA-OD2 3.41Å; L21-D94 HydrophobicContact CB-CB 4.37Å; L21-D94 HydrophobicContact CD2-CB 4.21Å; L21-Y183 HydrophobicContact CD1-CD2 3.6Å; L21-Y183 HydrophobicContact CD1-CE2 3.94Å; L21-I186 HydrophobicContact CD1-CD1 4.26Å; L21-I186 HydrophobicContact CD1-CG2 4.24Å; L21-I186 HydrophobicContact CD2-CG2 4.03Å |
| 22 | H | 97.2 | Very high | 79.7 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.2 | -179.2 | -67.2 | -164 | 0 | 0 | 0 | 109.3 | D94 G95 | H22-D94 PolarHBondContact N-OD2 3.5Å; H22-D94 WeakPolarHBondContact O-CB 3.28Å; H22-D94 PolarHBondContact O-N 3.06Å; H22-G95 PolarHBondContact O-N 3.15Å |
| 23 | V | 98.3 | Very high | 82.4 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141 | -178 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | L21 F71 Q72 V73 W74 G95 V97 L182 I186 | L21-V23 PolarHBondContact O-N 3.4Å; V23-F71 HydrophobicContact CB-CD2 4.27Å; V23-F71 HydrophobicContact CG2-CD2 3.65Å; V23-F71 HydrophobicContact CG2-CE2 3.98Å; V23-F71 HydrophobicContact CG2-CG 4.09Å; V23-Q72 PolarHBondContact N-O 3.1Å; V23-V73 CarbonylContact O-C 3.55Å; V23-V73 VanDerWaalsContact O-CA 3.31Å; V23-V73 WeakPolarHBondContact O-CA 3.23Å; V23-W74 PolarHBondContact O-N 2.95Å; V23-G95 WeakPolarHBondContact CA-O 3.39Å; V23-V97 HydrophobicContact CG1-CG2 3.75Å; V23-L182 HydrophobicContact CG1-CD2 3.94Å; V23-L182 HydrophobicContact CG2-CD2 4.29Å; V23-I186 HydrophobicContact CG2-CD1 4.47Å |
| 24 | V | 98.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135 | 174.1 | 165.8 | 0 | 0 | 0 | 0 | 109.3 | I26 W74 V76 Y89 T90 T93 G95 V97 | V24-I26 HydrophobicContact CG1-CG1 4.46Å; V24-I26 HydrophobicContact CG1-CG2 3.61Å; V24-W74 CarbonylContact C-O 3.58Å; V24-W74 WeakPolarHBondContact CA-O 3.41Å; V24-W74 HydrophobicContact CG2-CB 3.96Å; V24-V76 HydrophobicContact CG1-CG2 4.22Å; V24-Y89 VanDerWaalsContact CG2-O 3.29Å; V24-Y89 WeakPolarHBondContact CG2-O 3.19Å; V24-T90 HydrophobicContact CB-CG2 4.43Å; V24-T90 HydrophobicContact CG1-CG2 3.96Å; V24-T93 HydrophobicContact CB-CG2 4.12Å; V24-T93 HydrophobicContact CG2-CG2 3.42Å; V24-T93 VanDerWaalsContact CG2-CG2 3.42Å; V24-G95 PolarHBondContact N-O 3.44Å; V24-V97 PolarHBondContact O-N 3.43Å |
| 25 | V | 98.8 | Very high | 87.3 | Confident | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.3 | 171.8 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | K33 V73 W74 V76 V97 V99 | V25-K33 HydrophobicContact CG1-CB 3.77Å; V25-K33 HydrophobicContact CG1-CD 4.16Å; V25-K33 HydrophobicContact CG1-CG 3.86Å; V25-V73 HydrophobicContact CB-CG1 4.44Å; V25-V73 HydrophobicContact CG2-CG1 3.42Å; V25-V73 VanDerWaalsContact CG2-CG1 3.42Å; V25-W74 PolarHBondContact N-O 3.19Å; V25-V76 PolarHBondContact O-N 3.44Å; V25-V76 VanDerWaalsContact O-N 3.08Å; V25-V97 WeakPolarHBondContact CA-O 3.5Å; V25-V97 HydrophobicContact CB-CB 4.46Å; V25-V97 HydrophobicContact CG1-CB 4.47Å; V25-V97 HydrophobicContact CG1-CG1 4.33Å; V25-V97 HydrophobicContact CG2-CB 3.98Å; V25-V97 HydrophobicContact CG2-CG1 4.39Å; V25-V97 HydrophobicContact CG2-CG2 4.41Å; V25-V99 HydrophobicContact CG1-CG2 3.75Å |
| 26 | I | 98.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 174.7 | 178.1 | 50 | 161.8 | 0 | 0 | 0 | 109.9 | V24 K33 V76 W86 T90 I96 V97 F98 V99 I118 | V24-I26 HydrophobicContact CG1-CG1 4.46Å; V24-I26 HydrophobicContact CG1-CG2 3.61Å; I26-K33 VanDerWaalsContact C-CD 3.4Å; I26-V76 HydrophobicContact CG2-CB 4.03Å; I26-V76 HydrophobicContact CG2-CG2 4.3Å; I26-W86 HydrophobicContact CB-CD2 3.95Å; I26-W86 HydrophobicContact CB-CE3 4.22Å; I26-W86 HydrophobicContact CB-CG 4.28Å; I26-W86 HydrophobicContact CB-CZ2 4.45Å; I26-W86 HydrophobicContact CD1-CD2 4.4Å; I26-W86 HydrophobicContact CD1-CE3 4.05Å; I26-W86 HydrophobicContact CG2-CB 4.16Å; I26-W86 HydrophobicContact CG2-CD2 3.86Å; I26-W86 HydrophobicContact CG2-CG 3.65Å; I26-T90 HydrophobicContact CD1-CG2 4.1Å; I26-I96 HydrophobicContact CD1-CG2 3.94Å; I26-I96 HydrophobicContact CG1-CG2 3.89Å; I26-V97 PolarHBondContact N-O 3.09Å; I26-F98 HydrophobicContact CD1-CD2 4.08Å; I26-F98 HydrophobicContact CG1-CD2 4.04Å; I26-F98 CarbonylContact O-C 3.6Å; I26-F98 WeakPolarHBondContact O-CA 3.43Å; I26-V99 PolarHBondContact O-N 3.25Å; I26-I118 HydrophobicContact CD1-CB 4.46Å; I26-I118 HydrophobicContact CD1-CG1 4.26Å; I26-I118 HydrophobicContact CD1-CG2 3.89Å |
| 27 | G | 98.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | 134.5 | 161 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K33 G78 W86 V99 | G27-K33 WeakPolarHBondContact O-CE 3.42Å; G27-K33 PolarHBondContact O-NZ 3.13Å; G27-G78 WeakPolarHBondContact O-CA 3.25Å; G27-W86 VanDerWaalsContact C-CH2 3.48Å; G27-W86 WeakPolarHBondContact O-CZ2 3.45Å; G27-V99 WeakPolarHBondContact CA-O 3.48Å | ||
| 28 | L | 98.6 | Very high | 94 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | trans | -57.3 | 158.4 | -175.4 | -52.5 | -175.9 | 0 | 0 | 0 | 111.8 | A31 K33 R83 W86 R107 E110 A111 | L28-A31 WeakPolarHBondContact O-CB 3.48Å; L28-A31 PolarHBondContact O-N 3.35Å; L28-K33 PolarHBondContact O-NZ 3.35Å; L28-R83 VanDerWaalsContact CD2-CZ 3.46Å; L28-W86 HydrophobicContact CD2-CH2 4.38Å; L28-R107 HydrophobicContact CD1-CB 4.04Å; L28-R107 WeakPolarHBondContact CD1-O 3.48Å; L28-E110 HydrophobicContact CD1-CB 4.1Å; L28-E110 HydrophobicContact CD1-CG 4.02Å; L28-E110 WeakPolarHBondContact CD1-OE2 3.37Å; L28-E110 HydrophobicContact CD2-CG 4.07Å; L28-A111 HydrophobicContact CD1-CB 3.8Å; L28-A111 HydrophobicContact CG-CB 4.01Å | ||
| 29 | D | 97.8 | Very high | 96.1 | Very high | 42 Ų | 42 | 27 Ų | 27 | 23% | 0.225 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 152.9 | 167.4 | 54.8 | -78.2 | 0 | 0 | 0 | 111 | A31 G78 Q79 R83 R107 | D29-A31 PolarHBondContact O-N 3.31Å; D29-G78 PolarHBondContact N-O 3.34Å; D29-Q79 HydrophobicContact CB-CG 4.12Å; D29-R83 IonicContact OD1-NH2 3.85Å; D29-R107 PolarHBondContact O-NH1 3.13Å; D29-R107 IonicContact OD1-CZ 2.92Å; D29-R107 IonicContact OD1-NH1 3.85Å; D29-R107 IonicContact OD1-NH2 3.84Å; D29-R107 PolarHBondContact OD1-NH2 3.22Å; D29-R107 IonicContact OD2-CZ 2.75Å; D29-R107 IonicContact OD2-NH1 3.01Å; D29-R107 PolarHBondContact OD2-NH1 3.48Å; D29-R107 IonicContact OD2-NH2 3.92Å; D29-R107 PolarHBondContact OD2-NH2 3.34Å |
| 30 | S | 97.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 22.3 Ų | 22.3 | 55% | 0.545 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -5.4 | -179.8 | -53.4 | 0 | 0 | 0 | 0 | 117.4 | G32 K135 | S30-G32 PolarHBondContact O-N 3.09Å; S30-G32 VanDerWaalsContact O-N 3.12Å; S30-K135 WeakPolarHBondContact O-CE 3.32Å; S30-K135 PolarHBondContact O-NZ 2.8Å; S30-K135 VanDerWaalsContact O-NZ 3.09Å |
| 31 | A | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -63.2 | -16.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L28 D29 V99 N134 | L28-A31 WeakPolarHBondContact O-CB 3.48Å; L28-A31 PolarHBondContact O-N 3.35Å; D29-A31 PolarHBondContact O-N 3.31Å; A31-V99 HydrophobicContact CB-CB 4.35Å; A31-V99 HydrophobicContact CB-CG1 4.03Å; A31-V99 WeakPolarHBondContact CB-O 3.38Å; A31-V99 VanDerWaalsContact O-CG1 3.3Å; A31-V99 WeakPolarHBondContact O-CG1 3.4Å; A31-N134 PolarHBondContact O-ND2 3.25Å |
| 32 | G | 97.9 | Very high | 97.3 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | trans | 98.4 | 14.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S30 T34 S35 L36 | S30-G32 PolarHBondContact O-N 3.09Å; S30-G32 VanDerWaalsContact O-N 3.12Å; G32-T34 PolarHBondContact O-N 3.14Å; G32-S35 PolarHBondContact O-N 3.15Å; G32-L36 WeakPolarHBondContact O-CD1 3.22Å; G32-L36 VanDerWaalsContact O-CG 3.27Å; G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 2.97Å | ||
| 33 | K | 98.3 | Very high | 97.1 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -46.2 | -56 | -179.5 | -62 | -177.2 | -62.1 | -66.5 | 0 | 114.7 | V25 I26 G27 L28 L36 L37 D75 V76 V99 | V25-K33 HydrophobicContact CG1-CB 3.77Å; V25-K33 HydrophobicContact CG1-CD 4.16Å; V25-K33 HydrophobicContact CG1-CG 3.86Å; I26-K33 VanDerWaalsContact C-CD 3.4Å; G27-K33 WeakPolarHBondContact O-CE 3.42Å; G27-K33 PolarHBondContact O-NZ 3.13Å; L28-K33 PolarHBondContact O-NZ 3.35Å; K33-L36 WeakPolarHBondContact O-CB 3.41Å; K33-L36 PolarHBondContact O-N 3.16Å; K33-L37 PolarHBondContact O-N 2.99Å; K33-L37 VanDerWaalsContact O-N 3.08Å; K33-D75 VanDerWaalsContact CB-OD1 3.27Å; K33-D75 WeakPolarHBondContact CB-OD1 3.35Å; K33-V76 WeakPolarHBondContact CE-O 3.44Å; K33-V99 HydrophobicContact CG-CB 3.83Å; K33-V99 HydrophobicContact CG-CG1 4.48Å; K33-V99 HydrophobicContact CG-CG2 3.83Å |
| 34 | T | 97.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -39.1 | -177.7 | -43.9 | 0 | 0 | 0 | 0 | 111.8 | G32 L36 L37 Y38 T48 T51 D75 | G32-T34 PolarHBondContact O-N 3.14Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.35Å; T34-L37 PolarHBondContact O-N 3.36Å; T34-Y38 HydrophobicContact CG2-CD2 4.15Å; T34-Y38 HydrophobicContact CG2-CE2 3.77Å; T34-Y38 PolarHBondContact O-N 3.12Å; T34-T48 HydrophobicContact CG2-CG2 3.8Å; T34-T51 PolarHBondContact OG1-OG1 3.04Å; T34-D75 WeakPolarHBondContact CA-OD2 3.36Å; T34-D75 VanDerWaalsContact CB-OD2 3.26Å; T34-D75 WeakPolarHBondContact CB-OD2 3.42Å; T34-D75 WeakPolarHBondContact CG2-OD2 3.37Å; T34-D75 PolarHBondContact OG1-OD2 3.06Å |
| 35 | S | 97.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | G32 Y38 R39 V46 T48 | G32-S35 PolarHBondContact O-N 3.15Å; S35-Y38 PolarHBondContact O-N 2.97Å; S35-R39 VanDerWaalsContact O-CB 3.26Å; S35-R39 WeakPolarHBondContact O-CB 3.46Å; S35-R39 PolarHBondContact O-N 3.35Å; S35-V46 PolarHBondContact OG-O 2.87Å; S35-T48 PolarHBondContact OG-OG1 3.43Å |
| 36 | L | 97.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 172.3 | -69.7 | 156.8 | 0 | 0 | 0 | 111.4 | G32 K33 T34 Y38 R39 L40 V99 L132 N134 A169 L175 | G32-L36 WeakPolarHBondContact O-CD1 3.22Å; G32-L36 VanDerWaalsContact O-CG 3.27Å; G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 2.97Å; K33-L36 WeakPolarHBondContact O-CB 3.41Å; K33-L36 PolarHBondContact O-N 3.16Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.35Å; L36-Y38 VanDerWaalsContact C-N 3.35Å; L36-Y38 PolarHBondContact O-N 3.14Å; L36-R39 PolarHBondContact O-N 3.08Å; L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 WeakPolarHBondContact O-CG 3.13Å; L36-L40 PolarHBondContact O-N 3.42Å; L36-V99 HydrophobicContact CD1-CB 4.22Å; L36-V99 HydrophobicContact CD1-CG1 3.36Å; L36-V99 HydrophobicContact CD1-CG2 3.75Å; L36-L132 HydrophobicContact CD1-CD1 4.33Å; L36-N134 HydrophobicContact CD1-CB 4.32Å; L36-A169 HydrophobicContact CD2-CB 3.77Å; L36-A169 HydrophobicContact CG-CB 3.81Å; L36-L175 HydrophobicContact CD2-CD1 3.94Å; L36-L175 HydrophobicContact CD2-CD2 3.13Å; L36-L175 HydrophobicContact CD2-CG 4.15Å; L36-L175 HydrophobicContact CG-CD2 4.47Å |
| 37 | L | 96.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 178.3 | -179.6 | 55.7 | 0 | 0 | 0 | 111.5 | K33 T34 L40 K41 E57 I59 V73 D75 | K33-L37 PolarHBondContact O-N 2.99Å; K33-L37 VanDerWaalsContact O-N 3.08Å; T34-L37 PolarHBondContact O-N 3.36Å; L37-L40 PolarHBondContact O-N 3.26Å; L37-K41 VanDerWaalsContact O-CB 3.31Å; L37-K41 WeakPolarHBondContact O-CB 3.31Å; L37-K41 PolarHBondContact O-N 3.32Å; L37-E57 HydrophobicContact CD1-CB 4.01Å; L37-E57 HydrophobicContact CD1-CG 4.45Å; L37-E57 HydrophobicContact CD2-CB 3.95Å; L37-E57 HydrophobicContact CD2-CG 3.71Å; L37-E57 HydrophobicContact CG-CB 4.18Å; L37-E57 HydrophobicContact CG-CG 4.07Å; L37-I59 HydrophobicContact CD1-CG2 3.88Å; L37-V73 HydrophobicContact CD1-CB 3.99Å; L37-V73 HydrophobicContact CD1-CG1 3.9Å; L37-V73 HydrophobicContact CD1-CG2 4.32Å; L37-V73 HydrophobicContact CD2-CG1 4.29Å; L37-D75 HydrophobicContact CD2-CB 3.73Å |
| 38 | Y | 96.4 | Very high | 95.5 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 24% | 0.239 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 176 | -69 | -19 | 0 | 0 | 0 | 112.7 | T34 S35 L36 L40 K41 L42 V46 T48 | T34-Y38 HydrophobicContact CG2-CD2 4.15Å; T34-Y38 HydrophobicContact CG2-CE2 3.77Å; T34-Y38 PolarHBondContact O-N 3.12Å; S35-Y38 PolarHBondContact O-N 2.97Å; L36-Y38 VanDerWaalsContact C-N 3.35Å; L36-Y38 PolarHBondContact O-N 3.14Å; Y38-L40 VanDerWaalsContact C-N 3.28Å; Y38-L40 PolarHBondContact O-N 3.11Å; Y38-K41 PolarHBondContact O-N 2.97Å; Y38-L42 HydrophobicContact CG-CD1 4.44Å; Y38-L42 WeakPolarHBondContact O-CA 3.42Å; Y38-L42 WeakPolarHBondContact O-CB 3.29Å; Y38-L42 PolarHBondContact O-N 3.45Å; Y38-V46 HydrophobicContact CD2-CB 3.85Å; Y38-V46 HydrophobicContact CD2-CG1 3.9Å; Y38-V46 HydrophobicContact CD2-CG2 4.36Å; Y38-V46 HydrophobicContact CE2-CG1 4.4Å; Y38-V46 HydrophobicContact CG-CB 4.45Å; Y38-T48 HydrophobicContact CD2-CG2 3.81Å; Y38-T48 HydrophobicContact CE2-CG2 3.91Å |
| 39 | R | 96.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 61 Ų | 61 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 172.1 | 175.5 | 56.9 | 74.2 | 178.7 | 5.2 | 111.8 | S35 L36 K43 E44 A169 V170 L175 | S35-R39 VanDerWaalsContact O-CB 3.26Å; S35-R39 WeakPolarHBondContact O-CB 3.46Å; S35-R39 PolarHBondContact O-N 3.35Å; L36-R39 PolarHBondContact O-N 3.08Å; R39-K43 PolarHBondContact NH1-O 3.45Å; R39-K43 WeakPolarHBondContact O-CA 3.42Å; R39-K43 PolarHBondContact O-N 2.75Å; R39-K43 VanDerWaalsContact O-N 3.12Å; R39-E44 WeakPolarHBondContact CA-O 3.5Å; R39-E44 VanDerWaalsContact CZ-C 3.41Å; R39-E44 VanDerWaalsContact NH1-CA 3.31Å; R39-A169 WeakPolarHBondContact CB-O 3.46Å; R39-A169 WeakPolarHBondContact CG-O 3.26Å; R39-A169 PolarHBondContact NE-O 2.58Å; R39-V170 PolarHBondContact NH2-O 2.94Å; R39-L175 HydrophobicContact CB-CD1 4.12Å; R39-L175 HydrophobicContact CG-CD1 3.61Å |
| 40 | L | 94.5 | Very high | 95 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -42.6 | 176.2 | -77.5 | 161.2 | 0 | 0 | 0 | 112.9 | L36 L37 Y38 K43 I59 L175 L179 | L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 WeakPolarHBondContact O-CG 3.13Å; L36-L40 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 3.26Å; Y38-L40 VanDerWaalsContact C-N 3.28Å; Y38-L40 PolarHBondContact O-N 3.11Å; L40-K43 PolarHBondContact O-NZ 3.44Å; L40-I59 HydrophobicContact CB-CD1 4.4Å; L40-I59 HydrophobicContact CD1-CD1 4.16Å; L40-L175 HydrophobicContact CD2-CB 3.79Å; L40-L175 HydrophobicContact CD2-CD1 4.42Å; L40-L175 HydrophobicContact CG-CB 4.25Å; L40-L175 HydrophobicContact CG-CD1 4.09Å; L40-L179 HydrophobicContact CD1-CD1 3.72Å; L40-L179 HydrophobicContact CD2-CD1 3.59Å; L40-L179 HydrophobicContact CG-CD1 4.27Å |
| 41 | K | 94.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79.1 | -49.3 | -173.5 | 179 | 62 | 175.5 | -175.5 | 0 | 113.3 | L37 Y38 K58 I59 | L37-K41 VanDerWaalsContact O-CB 3.31Å; L37-K41 WeakPolarHBondContact O-CB 3.31Å; L37-K41 PolarHBondContact O-N 3.32Å; Y38-K41 PolarHBondContact O-N 2.97Å; K41-K58 PolarHBondContact NZ-O 2.96Å; K41-I59 HydrophobicContact CB-CG2 4.05Å; K41-I59 HydrophobicContact CD-CG2 4.13Å |
| 42 | L | 94.4 | Very high | 94.3 | Very high | 93 Ų | 93 | 70 Ų | 70 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -98.4 | -11.8 | -171.3 | -55 | 178.2 | 0 | 0 | 0 | 112.4 | Y38 E44 V46 | Y38-L42 HydrophobicContact CG-CD1 4.44Å; Y38-L42 WeakPolarHBondContact O-CA 3.42Å; Y38-L42 WeakPolarHBondContact O-CB 3.29Å; Y38-L42 PolarHBondContact O-N 3.45Å; L42-E44 PolarHBondContact O-N 2.87Å; L42-V46 HydrophobicContact CD1-CG2 3.99Å |
| 43 | K | 92.7 | Very high | 94 | Very high | 133 Ų | 133 | 70.1 Ų | 70.1 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 61.9 | 16.8 | -173.4 | -52.5 | -53.7 | -174.4 | -164.9 | 0 | 114 | R39 L40 | R39-K43 PolarHBondContact NH1-O 3.45Å; R39-K43 WeakPolarHBondContact O-CA 3.42Å; R39-K43 PolarHBondContact O-N 2.75Å; R39-K43 VanDerWaalsContact O-N 3.12Å; L40-K43 PolarHBondContact O-NZ 3.44Å |
| 44 | E | 91.8 | Very high | 93.9 | Very high | 134 Ų | 134 | 74.2 Ų | 74.2 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -131.4 | 152.7 | 179.5 | -68.2 | -177.6 | 173.6 | 0 | 0 | 111 | R39 L42 | R39-E44 WeakPolarHBondContact CA-O 3.5Å; R39-E44 VanDerWaalsContact CZ-C 3.41Å; R39-E44 VanDerWaalsContact NH1-CA 3.31Å; L42-E44 PolarHBondContact O-N 2.87Å |
| 45 | F | 93.8 | Very high | 93.7 | Very high | 89 Ų | 89 | 75.5 Ų | 75.5 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | trans | -82.7 | 123.1 | 174.1 | 172.2 | -104.6 | 0 | 0 | 0 | 108.7 | K47 A169 V170 | F45-K47 HydrophobicContact CE1-CB 4.27Å; F45-A169 HydrophobicContact CD2-CB 4.49Å; F45-A169 WeakPolarHBondContact CD2-O 3.36Å; F45-V170 HydrophobicContact CD2-CG2 4.23Å; F45-V170 HydrophobicContact CE2-CG2 4.05Å; F45-V170 HydrophobicContact CZ-CG2 4.42Å | ||
| 46 | V | 92.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 77.3 Ų | 77.3 | 28% | 0.279 | 38% | 0.378 | S | S | . | . | trans | -112 | 120.8 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | S35 Y38 L42 T48 | S35-V46 PolarHBondContact OG-O 2.87Å; Y38-V46 HydrophobicContact CD2-CB 3.85Å; Y38-V46 HydrophobicContact CD2-CG1 3.9Å; Y38-V46 HydrophobicContact CD2-CG2 4.36Å; Y38-V46 HydrophobicContact CE2-CG1 4.4Å; Y38-V46 HydrophobicContact CG-CB 4.45Å; L42-V46 HydrophobicContact CD1-CG2 3.99Å; V46-T48 HydrophobicContact CG1-CG2 4.32Å; V46-T48 PolarHBondContact O-N 3.34Å | ||
| 47 | K | 89.9 | Confident | 93.6 | Very high | 188 Ų | 188 | 79.3 Ų | 79.3 | 82% | 0.817 | 39% | 0.387 | S | S | * | . | trans | -69.2 | 124.3 | 168.6 | -172.9 | 175.5 | -177.5 | 176.7 | 0 | 108.1 | F45 | F45-K47 HydrophobicContact CE1-CB 4.27Š| ||
| 48 | T | 92.6 | Very high | 93.6 | Very high | 50 Ų | 50 | 84 Ų | 84 | 31% | 0.307 | 41% | 0.407 | S | S | . | . | trans | -111.6 | 156.8 | -174.1 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | T34 S35 Y38 V46 | T34-T48 HydrophobicContact CG2-CG2 3.8Å; S35-T48 PolarHBondContact OG-OG1 3.43Å; Y38-T48 HydrophobicContact CD2-CG2 3.81Å; Y38-T48 HydrophobicContact CE2-CG2 3.91Å; V46-T48 HydrophobicContact CG1-CG2 4.32Å; V46-T48 PolarHBondContact O-N 3.34Å | ||
| 49 | I | 92.7 | Very high | 93.5 | Very high | 142 Ų | 142 | 81.3 Ų | 81.3 | 73% | 0.728 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 159.7 | 164.9 | 60.2 | 170.2 | 0 | 0 | 0 | 109.1 | T51 | I49-T51 PolarHBondContact O-N 3.24Å; I49-T51 VanDerWaalsContact O-N 3.17Å |
| 50 | P | 93.1 | Very high | 93.4 | Very high | 91 Ų | 91 | 86.6 Ų | 86.6 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 123.3 | 179.3 | -27 | 35.2 | 0 | 0 | 0 | 112.7 | K52 Q79 | P50-K52 PolarHBondContact O-N 3.02Å; P50-Q79 VanDerWaalsContact CB-NE2 3.26Å |
| 51 | T | 90.6 | Very high | 93.3 | Very high | 27 Ų | 27 | 85.4 Ų | 85.4 | 17% | 0.166 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 121.6 | 179.7 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | T34 I49 L82 | T34-T51 PolarHBondContact OG1-OG1 3.04Å; I49-T51 PolarHBondContact O-N 3.24Å; I49-T51 VanDerWaalsContact O-N 3.17Å; T51-L82 WeakPolarHBondContact O-CD1 3.36Å |
| 52 | K | 89.8 | Confident | 93.1 | Very high | 193 Ų | 193 | 83 Ų | 83 | 84% | 0.839 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -87.1 | 109 | 171.3 | -64.2 | -176.9 | -177.5 | 178.2 | 0 | 108.3 | P50 F54 | P50-K52 PolarHBondContact O-N 3.02Å; K52-F54 PolarHBondContact O-N 3.26Å |
| 53 | G | 92.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 78.9 Ų | 78.9 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 80.5 | -103.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G77 | G53-G77 PolarHBondContact O-N 3.44Š|
| 54 | F | 94.8 | Very high | 92.2 | Very high | 96 Ų | 96 | 75 Ų | 75 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 161.7 | -175.5 | 70.1 | -82 | 0 | 0 | 0 | 112.5 | K52 T56 W74 D75 Y89 | K52-F54 PolarHBondContact O-N 3.26Å; F54-T56 WeakPolarHBondContact CD2-OG1 3.33Å; F54-W74 AromaticContact CD2-CE3 3.7Å; F54-W74 HydrophobicContact CD2-CE3 3.7Å; F54-W74 AromaticContact CD2-CZ3 3.78Å; F54-W74 HydrophobicContact CD2-CZ3 3.78Å; F54-W74 AromaticContact CE2-CE3 3.9Å; F54-W74 HydrophobicContact CE2-CE3 3.9Å; F54-W74 AromaticContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CE2-CZ3 3.45Å; F54-W74 VanDerWaalsContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CZ-CZ3 4.19Å; F54-D75 CarbonylContact C-O 3.44Å; F54-D75 WeakPolarHBondContact CA-O 3.5Å; F54-D75 WeakPolarHBondContact CB-O 3.45Å; F54-Y89 HydrophobicContact CB-CE1 4.43Å; F54-Y89 HydrophobicContact CD1-CE1 4.28Å; F54-Y89 AromaticContact CD1-CZ 3.72Å; F54-Y89 WeakPolarHBondContact CD1-OH 3.31Å; F54-Y89 HydrophobicContact CD2-CE1 4.27Å; F54-Y89 WeakPolarHBondContact CE1-OH 3.43Å; F54-Y89 HydrophobicContact CG-CE1 4.06Å; F54-Y89 AromaticContact CG-CZ 3.89Å |
| 55 | N | 93.8 | Very high | 91.5 | Very high | 41 Ų | 41 | 73.7 Ų | 73.7 | 22% | 0.219 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.7 | 166.2 | -174.9 | 37.3 | 0 | 0 | 0 | 110.1 | E57 W74 D75 | N55-E57 WeakPolarHBondContact ND2-CG 3.28Å; N55-E57 PolarHBondContact ND2-OE1 3.14Å; N55-W74 WeakPolarHBondContact O-CA 3.49Å; N55-D75 HydrophobicContact CB-CB 4.4Å; N55-D75 PolarHBondContact N-O 3.43Å; N55-D75 PolarHBondContact O-N 2.86Å |
| 56 | T | 96.2 | Very high | 90.7 | Very high | 46 Ų | 46 | 75.2 Ų | 75.2 | 28% | 0.282 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.6 | -177.7 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | F54 Q72 V73 W74 | F54-T56 WeakPolarHBondContact CD2-OG1 3.33Å; T56-Q72 HydrophobicContact CG2-CG 4.45Å; T56-V73 WeakPolarHBondContact CA-O 3.27Å; T56-W74 HydrophobicContact CG2-CD2 4.22Å; T56-W74 HydrophobicContact CG2-CE3 4.38Å; T56-W74 HydrophobicContact CG2-CH2 4.45Å; T56-W74 HydrophobicContact CG2-CZ2 4.27Å; T56-W74 VanDerWaalsContact OG1-CZ3 3.23Å; T56-W74 WeakPolarHBondContact OG1-CZ3 3.44Å |
| 57 | E | 96.5 | Very high | 90.4 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.3 | -176.1 | -67.7 | -64.9 | 165.2 | 0 | 0 | 111.7 | L37 N55 Q72 V73 | L37-E57 HydrophobicContact CD1-CB 4.01Å; L37-E57 HydrophobicContact CD1-CG 4.45Å; L37-E57 HydrophobicContact CD2-CB 3.95Å; L37-E57 HydrophobicContact CD2-CG 3.71Å; L37-E57 HydrophobicContact CG-CB 4.18Å; L37-E57 HydrophobicContact CG-CG 4.07Å; N55-E57 WeakPolarHBondContact ND2-CG 3.28Å; N55-E57 PolarHBondContact ND2-OE1 3.14Å; E57-Q72 PolarHBondContact O-NE2 3.27Å; E57-Q72 VanDerWaalsContact O-NE2 3.17Å; E57-V73 PolarHBondContact N-O 3Å; E57-V73 PolarHBondContact O-N 3.13Å |
| 58 | K | 96.3 | Very high | 90.4 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 44% | 0.443 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.8 | 168.9 | -170.1 | 175.9 | 179.5 | 180 | 0 | 109.8 | K41 N70 F71 | K41-K58 PolarHBondContact NZ-O 2.96Å; K58-N70 VanDerWaalsContact CE-CG 3.45Å; K58-N70 HydrophobicContact CG-CB 4.43Å; K58-F71 WeakPolarHBondContact CA-O 3.07Å |
| 59 | I | 95.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 146.1 | 176.9 | 66.3 | 173.6 | 0 | 0 | 0 | 111 | L37 L40 K41 V61 N70 F71 V73 L179 | L37-I59 HydrophobicContact CD1-CG2 3.88Å; L40-I59 HydrophobicContact CB-CD1 4.4Å; L40-I59 HydrophobicContact CD1-CD1 4.16Å; K41-I59 HydrophobicContact CB-CG2 4.05Å; K41-I59 HydrophobicContact CD-CG2 4.13Å; I59-V61 HydrophobicContact CD1-CG2 4.07Å; I59-V61 HydrophobicContact CG1-CG2 4.1Å; I59-N70 WeakPolarHBondContact O-CA 3.21Å; I59-F71 HydrophobicContact CD1-CB 4.42Å; I59-F71 HydrophobicContact CG1-CB 3.83Å; I59-F71 PolarHBondContact N-O 2.92Å; I59-F71 PolarHBondContact O-N 3.13Å; I59-V73 HydrophobicContact CD1-CG2 3.83Å; I59-V73 HydrophobicContact CG1-CG2 3.82Å; I59-L179 HydrophobicContact CD1-CD1 3.83Å |
| 60 | K | 93.7 | Very high | 90.4 | Very high | 155 Ų | 155 | 69.2 Ų | 69.2 | 67% | 0.674 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.5 | 172.9 | -173.4 | 175.9 | -179.5 | -177.4 | 0 | 108.2 | A68 T69 | K60-A68 HydrophobicContact CD-CB 4.11Å; K60-A68 HydrophobicContact CG-CB 3.73Å; K60-T69 WeakPolarHBondContact CA-O 3.18Å |
| 61 | V | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.2 | 179.8 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | I59 V63 A68 T69 F71 L179 | I59-V61 HydrophobicContact CD1-CG2 4.07Å; I59-V61 HydrophobicContact CG1-CG2 4.1Å; V61-V63 HydrophobicContact CG1-CG1 4.26Å; V61-A68 CarbonylContact O-C 3.53Å; V61-A68 WeakPolarHBondContact O-CA 3.36Å; V61-A68 WeakPolarHBondContact O-CB 3.3Å; V61-T69 HydrophobicContact CB-CG2 4.18Å; V61-T69 PolarHBondContact N-O 3.43Å; V61-T69 PolarHBondContact O-N 3.4Å; V61-F71 HydrophobicContact CB-CD1 4.46Å; V61-F71 HydrophobicContact CB-CE1 4.29Å; V61-F71 HydrophobicContact CB-CZ 4.48Å; V61-F71 HydrophobicContact CG1-CZ 4.46Å; V61-F71 HydrophobicContact CG2-CB 4.42Å; V61-F71 HydrophobicContact CG2-CD1 3.92Å; V61-F71 HydrophobicContact CG2-CD2 3.84Å; V61-F71 HydrophobicContact CG2-CE1 4.07Å; V61-F71 HydrophobicContact CG2-CE2 4.03Å; V61-F71 HydrophobicContact CG2-CG 3.8Å; V61-F71 HydrophobicContact CG2-CZ 4.14Å; V61-L179 HydrophobicContact CG1-CB 3.74Å; V61-L179 HydrophobicContact CG1-CD1 4.37Å; V61-L179 HydrophobicContact CG2-CB 4.43Å; V61-L179 HydrophobicContact CG2-CD1 3.8Å |
| 62 | A | 90.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 66 Ų | 66 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q176 E180 | A62-Q176 PolarHBondContact O-NE2 3.13Å; A62-E180 WeakPolarHBondContact O-CG 3.5Å |
| 63 | V | 86.6 | Confident | 91.3 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | trans | -138.5 | 99.4 | -178.3 | -74.8 | 0 | 0 | 0 | 0 | 109.1 | V61 R67 T69 Y183 | V61-V63 HydrophobicContact CG1-CG1 4.26Å; V63-R67 HydrophobicContact CG2-CB 3.9Å; V63-R67 PolarHBondContact N-O 3Å; V63-R67 WeakPolarHBondContact O-CB 3.4Å; V63-T69 HydrophobicContact CG1-CG2 4.08Å; V63-T69 HydrophobicContact CG2-CG2 4.4Å; V63-Y183 HydrophobicContact CB-CD1 3.94Å; V63-Y183 HydrophobicContact CB-CE1 3.89Å; V63-Y183 HydrophobicContact CG1-CD1 3.41Å; V63-Y183 VanDerWaalsContact CG1-CD1 3.41Å; V63-Y183 HydrophobicContact CG1-CD2 4.28Å; V63-Y183 HydrophobicContact CG1-CE1 3.8Å; V63-Y183 HydrophobicContact CG1-CG 3.65Å; V63-Y183 HydrophobicContact CG2-CE1 4.08Å | ||
| 64 | G | 81.4 | Confident | 91.6 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 71.2 | -166.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S66 | G64-S66 PolarHBondContact O-N 3.47Š|
| 65 | A | 77.6 | Confident | 91.7 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 88% | 0.884 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -68.7 | -29.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 66 | S | 76.4 | Confident | 91.9 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 85% | 0.846 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -146 | 17.4 | -171.2 | -47 | 0 | 0 | 0 | 0 | 114.3 | G64 | G64-S66 PolarHBondContact O-N 3.47Š|
| 67 | R | 86.3 | Confident | 92 | Very high | 171 Ų | 171 | 51.1 Ų | 51.1 | 65% | 0.645 | 29% | 0.29 | S | S | * | . | trans | -119.1 | 154 | 177.7 | -61.7 | -179.6 | -62.6 | -178.4 | -3.6 | 110.1 | V63 | V63-R67 HydrophobicContact CG2-CB 3.9Å; V63-R67 PolarHBondContact N-O 3Å; V63-R67 WeakPolarHBondContact O-CB 3.4Å | ||
| 68 | A | 89.3 | Confident | 92 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K60 V61 | K60-A68 HydrophobicContact CD-CB 4.11Å; K60-A68 HydrophobicContact CG-CB 3.73Å; V61-A68 CarbonylContact O-C 3.53Å; V61-A68 WeakPolarHBondContact O-CA 3.36Å; V61-A68 WeakPolarHBondContact O-CB 3.3Å |
| 69 | T | 91.9 | Very high | 92.1 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 158 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | K60 V61 V63 F71 Y183 | K60-T69 WeakPolarHBondContact CA-O 3.18Å; V61-T69 HydrophobicContact CB-CG2 4.18Å; V61-T69 PolarHBondContact N-O 3.43Å; V61-T69 PolarHBondContact O-N 3.4Å; V63-T69 HydrophobicContact CG1-CG2 4.08Å; V63-T69 HydrophobicContact CG2-CG2 4.4Å; T69-F71 HydrophobicContact CG2-CD1 3.94Å; T69-F71 HydrophobicContact CG2-CE1 3.48Å; T69-F71 VanDerWaalsContact CG2-CE1 3.48Å; T69-Y183 HydrophobicContact CG2-CD2 3.84Å; T69-Y183 HydrophobicContact CG2-CE2 3.91Å |
| 70 | N | 94.4 | Very high | 92.1 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 34% | 0.342 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.2 | 176.3 | -67.4 | -63.8 | 0 | 0 | 0 | 109.4 | C20 L21 K58 I59 | C20-N70 CarbonylContact C-O 3.4Å; C20-N70 WeakPolarHBondContact CA-O 3.46Å; C20-N70 HydrophobicContact CB-CB 4.4Å; C20-N70 PolarHBondContact SG-O 3.21Å; L21-N70 PolarHBondContact N-O 3.06Å; K58-N70 VanDerWaalsContact CE-CG 3.45Å; K58-N70 HydrophobicContact CG-CB 4.43Å; I59-N70 WeakPolarHBondContact O-CA 3.21Å |
| 71 | F | 96.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.6 | 167.6 | -72.3 | 15.9 | 0 | 0 | 0 | 108.4 | L21 V23 K58 I59 V61 T69 V73 L179 L182 Y183 | L21-F71 HydrophobicContact CB-CD1 3.93Å; L21-F71 HydrophobicContact CB-CE1 4.18Å; L21-F71 HydrophobicContact CD1-CD1 4.19Å; L21-F71 HydrophobicContact CD1-CE1 3.64Å; L21-F71 HydrophobicContact CD1-CZ 4.38Å; L21-F71 HydrophobicContact CG-CE1 4.44Å; L21-F71 CarbonylContact O-C 3.52Å; L21-F71 WeakPolarHBondContact O-CA 3.44Å; V23-F71 HydrophobicContact CB-CD2 4.27Å; V23-F71 HydrophobicContact CG2-CD2 3.65Å; V23-F71 HydrophobicContact CG2-CE2 3.98Å; V23-F71 HydrophobicContact CG2-CG 4.09Å; K58-F71 WeakPolarHBondContact CA-O 3.07Å; I59-F71 HydrophobicContact CD1-CB 4.42Å; I59-F71 HydrophobicContact CG1-CB 3.83Å; I59-F71 PolarHBondContact N-O 2.92Å; I59-F71 PolarHBondContact O-N 3.13Å; V61-F71 HydrophobicContact CB-CD1 4.46Å; V61-F71 HydrophobicContact CB-CE1 4.29Å; V61-F71 HydrophobicContact CB-CZ 4.48Å; V61-F71 HydrophobicContact CG1-CZ 4.46Å; V61-F71 HydrophobicContact CG2-CB 4.42Å; V61-F71 HydrophobicContact CG2-CD1 3.92Å; V61-F71 HydrophobicContact CG2-CD2 3.84Å; V61-F71 HydrophobicContact CG2-CE1 4.07Å; V61-F71 HydrophobicContact CG2-CE2 4.03Å; V61-F71 HydrophobicContact CG2-CG 3.8Å; V61-F71 HydrophobicContact CG2-CZ 4.14Å; T69-F71 HydrophobicContact CG2-CD1 3.94Å; T69-F71 HydrophobicContact CG2-CE1 3.48Å; T69-F71 VanDerWaalsContact CG2-CE1 3.48Å; F71-V73 HydrophobicContact CB-CG2 3.83Å; F71-L179 HydrophobicContact CD2-CD2 4.49Å; F71-L179 HydrophobicContact CE2-CB 4.47Å; F71-L179 HydrophobicContact CE2-CD2 4.14Å; F71-L182 HydrophobicContact CE2-CD2 4.24Å; F71-Y183 HydrophobicContact CE1-CD2 4.37Å |
| 72 | Q | 97.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 55 Ų | 55 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 104.9 | 162.7 | -173.7 | 64.6 | 65.5 | 0 | 0 | 107 | C20 L21 V23 T56 E57 | C20-Q72 PolarHBondContact SG-N 3.22Å; L21-Q72 PolarHBondContact O-N 3.36Å; V23-Q72 PolarHBondContact N-O 3.1Å; T56-Q72 HydrophobicContact CG2-CG 4.45Å; E57-Q72 PolarHBondContact O-NE2 3.27Å; E57-Q72 VanDerWaalsContact O-NE2 3.17Å |
| 73 | V | 98.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127 | -173.5 | -174.6 | 0 | 0 | 0 | 0 | 110 | V23 V25 L37 T56 E57 I59 F71 | V23-V73 CarbonylContact O-C 3.55Å; V23-V73 VanDerWaalsContact O-CA 3.31Å; V23-V73 WeakPolarHBondContact O-CA 3.23Å; V25-V73 HydrophobicContact CB-CG1 4.44Å; V25-V73 HydrophobicContact CG2-CG1 3.42Å; V25-V73 VanDerWaalsContact CG2-CG1 3.42Å; L37-V73 HydrophobicContact CD1-CB 3.99Å; L37-V73 HydrophobicContact CD1-CG1 3.9Å; L37-V73 HydrophobicContact CD1-CG2 4.32Å; L37-V73 HydrophobicContact CD2-CG1 4.29Å; T56-V73 WeakPolarHBondContact CA-O 3.27Å; E57-V73 PolarHBondContact N-O 3Å; E57-V73 PolarHBondContact O-N 3.13Å; I59-V73 HydrophobicContact CD1-CG2 3.83Å; I59-V73 HydrophobicContact CG1-CG2 3.82Å; F71-V73 HydrophobicContact CB-CG2 3.83Å |
| 74 | W | 98.1 | Very high | 93.3 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 107 | 170.5 | -62.9 | 80.3 | 0 | 0 | 0 | 108.5 | V23 V24 V25 F54 N55 T56 Y89 | V23-W74 PolarHBondContact O-N 2.95Å; V24-W74 CarbonylContact C-O 3.58Å; V24-W74 WeakPolarHBondContact CA-O 3.41Å; V24-W74 HydrophobicContact CG2-CB 3.96Å; V25-W74 PolarHBondContact N-O 3.19Å; F54-W74 AromaticContact CD2-CE3 3.7Å; F54-W74 HydrophobicContact CD2-CE3 3.7Å; F54-W74 AromaticContact CD2-CZ3 3.78Å; F54-W74 HydrophobicContact CD2-CZ3 3.78Å; F54-W74 AromaticContact CE2-CE3 3.9Å; F54-W74 HydrophobicContact CE2-CE3 3.9Å; F54-W74 AromaticContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CE2-CZ3 3.45Å; F54-W74 VanDerWaalsContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CZ-CZ3 4.19Å; N55-W74 WeakPolarHBondContact O-CA 3.49Å; T56-W74 HydrophobicContact CG2-CD2 4.22Å; T56-W74 HydrophobicContact CG2-CE3 4.38Å; T56-W74 HydrophobicContact CG2-CH2 4.45Å; T56-W74 HydrophobicContact CG2-CZ2 4.27Å; T56-W74 VanDerWaalsContact OG1-CZ3 3.23Å; T56-W74 WeakPolarHBondContact OG1-CZ3 3.44Å; W74-Y89 HydrophobicContact CB-CD1 4.37Å; W74-Y89 HydrophobicContact CD2-CD1 4.13Å; W74-Y89 HydrophobicContact CD2-CE1 4.33Å; W74-Y89 AromaticContact CE3-CD1 3.68Å; W74-Y89 HydrophobicContact CE3-CD1 3.68Å; W74-Y89 AromaticContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CE3-CE1 3.44Å; W74-Y89 VanDerWaalsContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CG-CD1 4.45Å; W74-Y89 HydrophobicContact CZ3-CD1 4.32Å; W74-Y89 AromaticContact CZ3-CE1 3.72Å; W74-Y89 HydrophobicContact CZ3-CE1 3.72Å |
| 75 | D | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.6 | 173.1 | 170.5 | 36.4 | 0 | 0 | 0 | 109.2 | K33 T34 L37 F54 N55 | K33-D75 VanDerWaalsContact CB-OD1 3.27Å; K33-D75 WeakPolarHBondContact CB-OD1 3.35Å; T34-D75 WeakPolarHBondContact CA-OD2 3.36Å; T34-D75 VanDerWaalsContact CB-OD2 3.26Å; T34-D75 WeakPolarHBondContact CB-OD2 3.42Å; T34-D75 WeakPolarHBondContact CG2-OD2 3.37Å; T34-D75 PolarHBondContact OG1-OD2 3.06Å; L37-D75 HydrophobicContact CD2-CB 3.73Å; F54-D75 CarbonylContact C-O 3.44Å; F54-D75 WeakPolarHBondContact CA-O 3.5Å; F54-D75 WeakPolarHBondContact CB-O 3.45Å; N55-D75 HydrophobicContact CB-CB 4.4Å; N55-D75 PolarHBondContact N-O 3.43Å; N55-D75 PolarHBondContact O-N 2.86Å |
| 76 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.4 | -174.1 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | V24 V25 I26 K33 G78 L85 Y89 | V24-V76 HydrophobicContact CG1-CG2 4.22Å; V25-V76 PolarHBondContact O-N 3.44Å; V25-V76 VanDerWaalsContact O-N 3.08Å; I26-V76 HydrophobicContact CG2-CB 4.03Å; I26-V76 HydrophobicContact CG2-CG2 4.3Å; K33-V76 WeakPolarHBondContact CE-O 3.44Å; V76-G78 PolarHBondContact O-N 3.32Å; V76-L85 HydrophobicContact CG1-CB 4.24Å; V76-Y89 HydrophobicContact CG1-CD2 4.09Å; V76-Y89 HydrophobicContact CG1-CE2 4.47Å; V76-Y89 HydrophobicContact CG2-CD1 4.25Å; V76-Y89 HydrophobicContact CG2-CD2 3.9Å; V76-Y89 HydrophobicContact CG2-CG 3.71Å |
| 77 | G | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -55.1 | 138.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G53 W86 | G53-G77 PolarHBondContact O-N 3.44Å; G77-W86 PolarHBondContact O-NE1 3.48Å | ||
| 78 | G | 97.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | trans | -99.8 | -5.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G27 D29 V76 R83 | G27-G78 WeakPolarHBondContact O-CA 3.25Å; D29-G78 PolarHBondContact N-O 3.34Å; V76-G78 PolarHBondContact O-N 3.32Å; G78-R83 PolarHBondContact O-NE 3.26Å | ||
| 79 | Q | 97.2 | Very high | 96.6 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -59.9 | 142.5 | 176.8 | -67.1 | 174.3 | 44.4 | 0 | 0 | 109.3 | D29 P50 K81 L82 R83 | D29-Q79 HydrophobicContact CB-CG 4.12Å; P50-Q79 VanDerWaalsContact CB-NE2 3.26Å; Q79-K81 VanDerWaalsContact C-N 3.27Å; Q79-K81 HydrophobicContact CB-CG 4.38Å; Q79-K81 PolarHBondContact O-N 3.39Å; Q79-K81 VanDerWaalsContact O-N 3.13Å; Q79-L82 HydrophobicContact CB-CD1 4.41Å; Q79-L82 HydrophobicContact CB-CG 4.44Å; Q79-L82 WeakPolarHBondContact O-CA 3.25Å; Q79-L82 WeakPolarHBondContact O-CB 3.34Å; Q79-L82 PolarHBondContact O-N 2.91Å; Q79-R83 WeakPolarHBondContact O-CG 3.42Å; Q79-R83 PolarHBondContact O-N 3.01Å |
| 80 | E | 96.6 | Very high | 96.9 | Very high | 149 Ų | 149 | 46.5 Ų | 46.5 | 70% | 0.696 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -45.6 | -49.2 | -176.2 | -169.8 | -178.1 | 178.3 | 0 | 0 | 113.2 | L82 R83 P84 | E80-L82 PolarHBondContact O-N 3.21Å; E80-L82 VanDerWaalsContact O-N 3.08Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 VanDerWaalsContact O-N 3.12Å; E80-P84 WeakPolarHBondContact O-CD 3.43Å |
| 81 | K | 96.8 | Very high | 96.9 | Very high | 162 Ų | 162 | 49 Ų | 49 | 70% | 0.704 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -59.7 | -20.5 | 177.6 | 69.6 | -176.9 | 176.6 | -170.2 | 0 | 115.4 | Q79 | Q79-K81 VanDerWaalsContact C-N 3.27Å; Q79-K81 HydrophobicContact CB-CG 4.38Å; Q79-K81 PolarHBondContact O-N 3.39Å; Q79-K81 VanDerWaalsContact O-N 3.13Å |
| 82 | L | 96.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -98.3 | -18.6 | -180 | -62.1 | -180 | 0 | 0 | 0 | 112.9 | T51 Q79 E80 P84 L85 | T51-L82 WeakPolarHBondContact O-CD1 3.36Å; Q79-L82 HydrophobicContact CB-CD1 4.41Å; Q79-L82 HydrophobicContact CB-CG 4.44Å; Q79-L82 WeakPolarHBondContact O-CA 3.25Å; Q79-L82 WeakPolarHBondContact O-CB 3.34Å; Q79-L82 PolarHBondContact O-N 2.91Å; E80-L82 PolarHBondContact O-N 3.21Å; E80-L82 VanDerWaalsContact O-N 3.08Å; L82-P84 VanDerWaalsContact C-N 3.29Å; L82-L85 HydrophobicContact CD2-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 WeakPolarHBondContact O-CG 3.23Å; L82-L85 PolarHBondContact O-N 3.37Å |
| 83 | R | 97.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.5 | -178.3 | -57.2 | -173.2 | -166.3 | 154.4 | 4.7 | 114.7 | L28 D29 G78 Q79 E80 L85 W86 E110 | L28-R83 VanDerWaalsContact CD2-CZ 3.46Å; D29-R83 IonicContact OD1-NH2 3.85Å; G78-R83 PolarHBondContact O-NE 3.26Å; Q79-R83 WeakPolarHBondContact O-CG 3.42Å; Q79-R83 PolarHBondContact O-N 3.01Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 VanDerWaalsContact O-N 3.12Å; R83-L85 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact O-N 3.08Å; R83-W86 HydrophobicContact CB-CD2 4.25Å; R83-W86 HydrophobicContact CB-CZ2 4.39Å; R83-W86 HydrophobicContact CG-CD2 4.46Å; R83-W86 HydrophobicContact CG-CH2 4.15Å; R83-W86 HydrophobicContact CG-CZ2 3.72Å; R83-W86 VanDerWaalsContact O-CB 3.27Å; R83-W86 WeakPolarHBondContact O-CB 3.3Å; R83-W86 VanDerWaalsContact O-CG 3.29Å; R83-W86 PolarHBondContact O-N 3.43Å; R83-E110 IonicContact CZ-OE1 3.79Å; R83-E110 IonicContact NH1-OE1 2.85Å; R83-E110 PolarHBondContact NH1-OE1 2.75Å; R83-E110 IonicContact NH2-OE1 3.41Å; R83-E110 PolarHBondContact NH2-OE1 3.02Å; R83-E110 IonicContact NH2-OE2 2.71Å |
| 84 | P | 96.3 | Very high | 96.6 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -54.9 | -27 | 171.2 | -29 | 37.2 | 0 | 0 | 0 | 114.2 | E80 L82 W86 | E80-P84 WeakPolarHBondContact O-CD 3.43Å; L82-P84 VanDerWaalsContact C-N 3.29Å; P84-W86 VanDerWaalsContact C-N 3.28Å; P84-W86 PolarHBondContact O-N 3.11Å |
| 85 | L | 96 | Very high | 96.6 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.7 | -27.3 | 176.8 | -60.8 | 176.4 | 0 | 0 | 0 | 112.7 | V76 L82 R83 K87 S88 Y89 | V76-L85 HydrophobicContact CG1-CB 4.24Å; L82-L85 HydrophobicContact CD2-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 WeakPolarHBondContact O-CG 3.23Å; L82-L85 PolarHBondContact O-N 3.37Å; R83-L85 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact O-N 3.08Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.96Å; L85-S88 WeakPolarHBondContact O-CA 3.37Å; L85-S88 WeakPolarHBondContact O-CB 2.9Å; L85-S88 PolarHBondContact O-N 3.32Å; L85-Y89 HydrophobicContact CB-CD2 4.12Å; L85-Y89 HydrophobicContact CB-CE2 4.05Å; L85-Y89 VanDerWaalsContact O-CD2 3.29Å; L85-Y89 WeakPolarHBondContact O-CD2 3.41Å; L85-Y89 PolarHBondContact O-N 2.99Å |
| 86 | W | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.6 | -43.8 | -175.6 | -65.2 | 4 | 0 | 0 | 0 | 111.6 | I26 G27 L28 G77 R83 P84 S88 Y89 T90 F98 E114 I118 | I26-W86 HydrophobicContact CB-CD2 3.95Å; I26-W86 HydrophobicContact CB-CE3 4.22Å; I26-W86 HydrophobicContact CB-CG 4.28Å; I26-W86 HydrophobicContact CB-CZ2 4.45Å; I26-W86 HydrophobicContact CD1-CD2 4.4Å; I26-W86 HydrophobicContact CD1-CE3 4.05Å; I26-W86 HydrophobicContact CG2-CB 4.16Å; I26-W86 HydrophobicContact CG2-CD2 3.86Å; I26-W86 HydrophobicContact CG2-CG 3.65Å; G27-W86 VanDerWaalsContact C-CH2 3.48Å; G27-W86 WeakPolarHBondContact O-CZ2 3.45Å; L28-W86 HydrophobicContact CD2-CH2 4.38Å; G77-W86 PolarHBondContact O-NE1 3.48Å; R83-W86 HydrophobicContact CB-CD2 4.25Å; R83-W86 HydrophobicContact CB-CZ2 4.39Å; R83-W86 HydrophobicContact CG-CD2 4.46Å; R83-W86 HydrophobicContact CG-CH2 4.15Å; R83-W86 HydrophobicContact CG-CZ2 3.72Å; R83-W86 VanDerWaalsContact O-CB 3.27Å; R83-W86 WeakPolarHBondContact O-CB 3.3Å; R83-W86 VanDerWaalsContact O-CG 3.29Å; R83-W86 PolarHBondContact O-N 3.43Å; P84-W86 VanDerWaalsContact C-N 3.28Å; P84-W86 PolarHBondContact O-N 3.11Å; W86-S88 PolarHBondContact O-N 3.47Å; W86-Y89 PolarHBondContact O-N 3.34Å; W86-Y89 VanDerWaalsContact O-N 3.16Å; W86-T90 WeakPolarHBondContact O-CG2 3.44Å; W86-T90 PolarHBondContact O-N 2.96Å; W86-T90 PolarHBondContact O-OG1 3.3Å; W86-T90 VanDerWaalsContact O-OG1 3.06Å; W86-F98 HydrophobicContact CH2-CE2 4.42Å; W86-F98 HydrophobicContact CZ3-CE2 4.01Å; W86-E114 HydrophobicContact CH2-CB 4.4Å; W86-E114 HydrophobicContact CZ3-CB 3.72Å; W86-E114 HydrophobicContact CZ3-CG 4.41Å; W86-I118 HydrophobicContact CB-CD1 3.66Å; W86-I118 HydrophobicContact CB-CG1 4.35Å; W86-I118 HydrophobicContact CE3-CD1 4.38Å; W86-I118 HydrophobicContact CE3-CG1 3.94Å |
| 87 | K | 96.1 | Very high | 96.7 | Very high | 103 Ų | 103 | 56 Ų | 56 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.4 | -39.7 | 175.9 | -176.3 | 177 | -178.6 | 179.3 | 0 | 111.9 | L85 T90 R91 | L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.96Å; K87-T90 PolarHBondContact O-OG1 2.98Å; K87-R91 WeakPolarHBondContact O-CG 3.32Å |
| 88 | S | 95.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 56 Ų | 56 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.5 | -40 | -179.1 | -72.6 | 0 | 0 | 0 | 0 | 113.1 | L85 W86 R91 | L85-S88 WeakPolarHBondContact O-CA 3.37Å; L85-S88 WeakPolarHBondContact O-CB 2.9Å; L85-S88 PolarHBondContact O-N 3.32Å; W86-S88 PolarHBondContact O-N 3.47Å; S88-R91 VanDerWaalsContact CB-NH2 3.33Å; S88-R91 PolarHBondContact OG-NH2 2.75Å |
| 89 | Y | 96.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -78.1 | -34.4 | -178.4 | -74.8 | -83.5 | 0 | 0 | 0 | 112.7 | V24 F54 W74 V76 L85 W86 R91 T93 | V24-Y89 VanDerWaalsContact CG2-O 3.29Å; V24-Y89 WeakPolarHBondContact CG2-O 3.19Å; F54-Y89 HydrophobicContact CB-CE1 4.43Å; F54-Y89 HydrophobicContact CD1-CE1 4.28Å; F54-Y89 AromaticContact CD1-CZ 3.72Å; F54-Y89 WeakPolarHBondContact CD1-OH 3.31Å; F54-Y89 HydrophobicContact CD2-CE1 4.27Å; F54-Y89 WeakPolarHBondContact CE1-OH 3.43Å; F54-Y89 HydrophobicContact CG-CE1 4.06Å; F54-Y89 AromaticContact CG-CZ 3.89Å; W74-Y89 HydrophobicContact CB-CD1 4.37Å; W74-Y89 HydrophobicContact CD2-CD1 4.13Å; W74-Y89 HydrophobicContact CD2-CE1 4.33Å; W74-Y89 AromaticContact CE3-CD1 3.68Å; W74-Y89 HydrophobicContact CE3-CD1 3.68Å; W74-Y89 AromaticContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CE3-CE1 3.44Å; W74-Y89 VanDerWaalsContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CG-CD1 4.45Å; W74-Y89 HydrophobicContact CZ3-CD1 4.32Å; W74-Y89 AromaticContact CZ3-CE1 3.72Å; W74-Y89 HydrophobicContact CZ3-CE1 3.72Å; V76-Y89 HydrophobicContact CG1-CD2 4.09Å; V76-Y89 HydrophobicContact CG1-CE2 4.47Å; V76-Y89 HydrophobicContact CG2-CD1 4.25Å; V76-Y89 HydrophobicContact CG2-CD2 3.9Å; V76-Y89 HydrophobicContact CG2-CG 3.71Å; L85-Y89 HydrophobicContact CB-CD2 4.12Å; L85-Y89 HydrophobicContact CB-CE2 4.05Å; L85-Y89 VanDerWaalsContact O-CD2 3.29Å; L85-Y89 WeakPolarHBondContact O-CD2 3.41Å; L85-Y89 PolarHBondContact O-N 2.99Å; W86-Y89 PolarHBondContact O-N 3.34Å; W86-Y89 VanDerWaalsContact O-N 3.16Å; Y89-R91 PolarHBondContact O-N 3.39Å; Y89-T93 WeakPolarHBondContact O-CG2 3.48Å |
| 90 | T | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.4 | -13.6 | 179.6 | 58 | 0 | 0 | 0 | 0 | 113.8 | V24 I26 W86 K87 R92 T93 I96 I118 N124 | V24-T90 HydrophobicContact CB-CG2 4.43Å; V24-T90 HydrophobicContact CG1-CG2 3.96Å; I26-T90 HydrophobicContact CD1-CG2 4.1Å; W86-T90 WeakPolarHBondContact O-CG2 3.44Å; W86-T90 PolarHBondContact O-N 2.96Å; W86-T90 PolarHBondContact O-OG1 3.3Å; W86-T90 VanDerWaalsContact O-OG1 3.06Å; K87-T90 PolarHBondContact O-OG1 2.98Å; T90-R92 PolarHBondContact O-N 2.7Å; T90-T93 WeakPolarHBondContact O-CG2 3.24Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.9Å; T90-T93 VanDerWaalsContact O-OG1 3.13Å; T90-I96 HydrophobicContact CG2-CD1 4.05Å; T90-I96 HydrophobicContact CG2-CG1 4.23Å; T90-I118 HydrophobicContact CG2-CG2 3.97Å; T90-N124 WeakPolarHBondContact CB-ND2 3.48Å; T90-N124 PolarHBondContact O-OD1 3.24Å; T90-N124 VanDerWaalsContact O-OD1 3.08Å; T90-N124 PolarHBondContact OG1-ND2 3.38Å; T90-N124 PolarHBondContact OG1-OD1 3.02Å |
| 91 | R | 93.6 | Very high | 97 | Very high | 117 Ų | 117 | 47 Ų | 47 | 44% | 0.442 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 128 | 178.3 | -81.3 | -171.7 | -63 | -114.5 | 1.1 | 110.9 | K87 S88 Y89 T93 E123 | K87-R91 WeakPolarHBondContact O-CG 3.32Å; S88-R91 VanDerWaalsContact CB-NH2 3.33Å; S88-R91 PolarHBondContact OG-NH2 2.75Å; Y89-R91 PolarHBondContact O-N 3.39Å; R91-T93 PolarHBondContact O-N 3.02Å; R91-E123 HydrophobicContact CG-CB 4.09Å; R91-E123 HydrophobicContact CG-CG 4.2Å |
| 92 | R | 92.1 | Very high | 97.1 | Very high | 234 Ų | 234 | 39.3 Ų | 39.3 | 88% | 0.883 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 25.9 | 175.9 | -55.2 | 179.8 | 178.1 | 170.5 | -0.1 | 113.9 | T90 | T90-R92 PolarHBondContact O-N 2.7Š|
| 93 | T | 97.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | trans | -72 | 153.6 | 170.5 | 59.4 | 0 | 0 | 0 | 0 | 111 | V24 Y89 T90 R91 | V24-T93 HydrophobicContact CB-CG2 4.12Å; V24-T93 HydrophobicContact CG2-CG2 3.42Å; V24-T93 VanDerWaalsContact CG2-CG2 3.42Å; Y89-T93 WeakPolarHBondContact O-CG2 3.48Å; T90-T93 WeakPolarHBondContact O-CG2 3.24Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.9Å; T90-T93 VanDerWaalsContact O-OG1 3.13Å; R91-T93 PolarHBondContact O-N 3.02Å | ||
| 94 | D | 97.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -72.1 | -38.5 | 169.8 | -71 | -64.2 | 0 | 0 | 0 | 110.5 | L21 H22 P128 I186 K190 | L21-D94 VanDerWaalsContact CA-OD2 3.32Å; L21-D94 WeakPolarHBondContact CA-OD2 3.41Å; L21-D94 HydrophobicContact CB-CB 4.37Å; L21-D94 HydrophobicContact CD2-CB 4.21Å; H22-D94 PolarHBondContact N-OD2 3.5Å; H22-D94 WeakPolarHBondContact O-CB 3.28Å; H22-D94 PolarHBondContact O-N 3.06Å; D94-P128 WeakPolarHBondContact O-CD 3.37Å; D94-I186 HydrophobicContact CB-CD1 4.04Å; D94-I186 HydrophobicContact CB-CG1 4.4Å; D94-I186 HydrophobicContact CB-CG2 4.04Å; D94-I186 WeakPolarHBondContact O-CG1 3.44Å; D94-K190 WeakPolarHBondContact OD1-CE 3.39Å; D94-K190 IonicContact OD1-NZ 3.28Å; D94-K190 PolarHBondContact OD1-NZ 3.37Å; D94-K190 IonicContact OD2-NZ 3.72Å |
| 95 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 163.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H22 V23 V24 | H22-G95 PolarHBondContact O-N 3.15Å; V23-G95 WeakPolarHBondContact CA-O 3.39Å; V24-G95 PolarHBondContact N-O 3.44Å |
| 96 | I | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.8 | 177.8 | -64.5 | 167.7 | 0 | 0 | 0 | 108.6 | I26 T90 I118 V127 P128 V129 L130 | I26-I96 HydrophobicContact CD1-CG2 3.94Å; I26-I96 HydrophobicContact CG1-CG2 3.89Å; T90-I96 HydrophobicContact CG2-CD1 4.05Å; T90-I96 HydrophobicContact CG2-CG1 4.23Å; I96-I118 HydrophobicContact CD1-CG2 4.25Å; I96-V127 HydrophobicContact CD1-CB 4.38Å; I96-V127 HydrophobicContact CD1-CG1 3.95Å; I96-V127 HydrophobicContact CG1-CG1 3.86Å; I96-P128 PolarHBondContact N-O 3.25Å; I96-V129 CarbonylContact O-C 3.57Å; I96-V129 WeakPolarHBondContact O-CA 3.43Å; I96-L130 PolarHBondContact O-N 3.34Å |
| 97 | V | 98.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.9 | 165 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | V23 V24 V25 I26 V99 L130 L132 L179 L182 | V23-V97 HydrophobicContact CG1-CG2 3.75Å; V24-V97 PolarHBondContact O-N 3.43Å; V25-V97 WeakPolarHBondContact CA-O 3.5Å; V25-V97 HydrophobicContact CB-CB 4.46Å; V25-V97 HydrophobicContact CG1-CB 4.47Å; V25-V97 HydrophobicContact CG1-CG1 4.33Å; V25-V97 HydrophobicContact CG2-CB 3.98Å; V25-V97 HydrophobicContact CG2-CG1 4.39Å; V25-V97 HydrophobicContact CG2-CG2 4.41Å; I26-V97 PolarHBondContact N-O 3.09Å; V97-V99 HydrophobicContact CG1-CG2 4.03Å; V97-L130 CarbonylContact C-O 3.59Å; V97-L130 WeakPolarHBondContact CA-O 3.43Å; V97-L130 HydrophobicContact CG1-CD2 4.48Å; V97-L130 HydrophobicContact CG2-CB 4.43Å; V97-L130 HydrophobicContact CG2-CD2 4.2Å; V97-L132 HydrophobicContact CG1-CD1 3.65Å; V97-L132 HydrophobicContact CG1-CG 3.93Å; V97-L179 HydrophobicContact CG2-CD2 4.48Å; V97-L182 HydrophobicContact CG2-CD2 3.62Å |
| 98 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.4 | 175.4 | -167.2 | -95.6 | 0 | 0 | 0 | 109.2 | I26 W86 V100 A111 L115 V129 L130 I131 L132 | I26-F98 HydrophobicContact CD1-CD2 4.08Å; I26-F98 HydrophobicContact CG1-CD2 4.04Å; I26-F98 CarbonylContact O-C 3.6Å; I26-F98 WeakPolarHBondContact O-CA 3.43Å; W86-F98 HydrophobicContact CH2-CE2 4.42Å; W86-F98 HydrophobicContact CZ3-CE2 4.01Å; F98-V100 HydrophobicContact CD1-CG1 3.8Å; F98-V100 HydrophobicContact CE1-CG1 3.51Å; F98-A111 HydrophobicContact CE1-CB 4.07Å; F98-A111 HydrophobicContact CZ-CB 4.18Å; F98-A111 VanDerWaalsContact CZ-O 3.25Å; F98-A111 WeakPolarHBondContact CZ-O 3.41Å; F98-L115 HydrophobicContact CB-CD1 4.07Å; F98-L115 HydrophobicContact CD1-CB 4.3Å; F98-L115 HydrophobicContact CD1-CD1 4.16Å; F98-L115 HydrophobicContact CD1-CD2 4.27Å; F98-L115 HydrophobicContact CD1-CG 4.47Å; F98-L115 HydrophobicContact CD2-CB 4.3Å; F98-L115 HydrophobicContact CD2-CD1 3.89Å; F98-L115 HydrophobicContact CE1-CB 3.92Å; F98-L115 HydrophobicContact CE1-CD2 4.45Å; F98-L115 HydrophobicContact CE2-CB 3.94Å; F98-L115 HydrophobicContact CE2-CD1 4.39Å; F98-L115 HydrophobicContact CG-CB 4.48Å; F98-L115 HydrophobicContact CG-CD1 3.78Å; F98-L115 HydrophobicContact CZ-CB 3.74Å; F98-V129 HydrophobicContact CB-CG1 4.34Å; F98-L130 PolarHBondContact N-O 3.06Å; F98-I131 CarbonylContact O-C 3.59Å; F98-I131 VanDerWaalsContact O-CA 3.29Å; F98-I131 WeakPolarHBondContact O-CA 3.27Å; F98-L132 PolarHBondContact O-N 3.4Å |
| 99 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.4 | -176.8 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | V25 I26 G27 A31 K33 L36 V97 L132 N134 | V25-V99 HydrophobicContact CG1-CG2 3.75Å; I26-V99 PolarHBondContact O-N 3.25Å; G27-V99 WeakPolarHBondContact CA-O 3.48Å; A31-V99 HydrophobicContact CB-CB 4.35Å; A31-V99 HydrophobicContact CB-CG1 4.03Å; A31-V99 WeakPolarHBondContact CB-O 3.38Å; A31-V99 VanDerWaalsContact O-CG1 3.3Å; A31-V99 WeakPolarHBondContact O-CG1 3.4Å; K33-V99 HydrophobicContact CG-CB 3.83Å; K33-V99 HydrophobicContact CG-CG1 4.48Å; K33-V99 HydrophobicContact CG-CG2 3.83Å; L36-V99 HydrophobicContact CD1-CB 4.22Å; L36-V99 HydrophobicContact CD1-CG1 3.36Å; L36-V99 HydrophobicContact CD1-CG2 3.75Å; V97-V99 HydrophobicContact CG1-CG2 4.03Å; V99-L132 HydrophobicContact CG2-CB 4.36Å; V99-L132 HydrophobicContact CG2-CD1 4.47Å; V99-N134 HydrophobicContact CG1-CB 3.89Å |
| 100 | V | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 148.1 | 171.1 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | F98 L108 A111 I131 L132 A133 N134 V147 L151 | F98-V100 HydrophobicContact CD1-CG1 3.8Å; F98-V100 HydrophobicContact CE1-CG1 3.51Å; V100-L108 HydrophobicContact CB-CD2 3.88Å; V100-L108 HydrophobicContact CG1-CD2 4.09Å; V100-L108 HydrophobicContact CG2-CD2 4.13Å; V100-A111 HydrophobicContact CG1-CB 4.08Å; V100-I131 HydrophobicContact CG2-CG2 4.47Å; V100-L132 PolarHBondContact N-O 2.93Å; V100-A133 HydrophobicContact CG2-CB 4.48Å; V100-N134 WeakPolarHBondContact O-CB 3.48Å; V100-N134 PolarHBondContact O-N 3.21Å; V100-V147 HydrophobicContact CG2-CG1 3.66Å; V100-L151 HydrophobicContact CG1-CD1 3.99Å; V100-L151 HydrophobicContact CG1-CD2 4.4Å; V100-L151 HydrophobicContact CG2-CD1 4.48Å |
| 101 | D | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.1 | 165.5 | -169.3 | -10.4 | 0 | 0 | 0 | 108.8 | T103 E104 K135 | D101-T103 PolarHBondContact O-N 3.3Å; D101-T103 PolarHBondContact OD1-N 3.29Å; D101-T103 PolarHBondContact OD1-OG1 3.45Å; D101-E104 HydrophobicContact CB-CB 4.21Å; D101-E104 HydrophobicContact CB-CG 4.22Å; D101-K135 VanDerWaalsContact CG-CE 3.42Å; D101-K135 WeakPolarHBondContact OD1-CD 3.16Å; D101-K135 IonicContact OD1-NZ 3.81Å; D101-K135 WeakPolarHBondContact OD2-CE 3.36Å; D101-K135 IonicContact OD2-NZ 2.58Å; D101-K135 PolarHBondContact OD2-NZ 3.42Å |
| 102 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.1 | -178.9 | -45.4 | 0 | 0 | 0 | 0 | 112.6 | A133 N134 Q136 L142 | S102-A133 WeakPolarHBondContact OG-CA 3.43Å; S102-A133 WeakPolarHBondContact OG-CB 3.39Å; S102-A133 PolarHBondContact OG-O 3.34Å; S102-N134 WeakPolarHBondContact CB-O 3.29Å; S102-N134 PolarHBondContact N-O 2.87Å; S102-N134 PolarHBondContact OG-N 3.01Å; S102-N134 PolarHBondContact OG-O 3.32Å; S102-Q136 VanDerWaalsContact CB-NE2 3.32Å; S102-Q136 PolarHBondContact OG-NE2 2.82Å; S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 VanDerWaalsContact O-CG 3.25Å; S102-L142 WeakPolarHBondContact O-CG 3.5Å; S102-L142 PolarHBondContact O-N 2.68Å |
| 103 | T | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 39 Ų | 39 | 26% | 0.264 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -11.3 | 179 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | D101 L105 K135 L138 S140 A141 | D101-T103 PolarHBondContact O-N 3.3Å; D101-T103 PolarHBondContact OD1-N 3.29Å; D101-T103 PolarHBondContact OD1-OG1 3.45Å; T103-L105 PolarHBondContact O-N 3.36Å; T103-K135 HydrophobicContact CG2-CB 4.38Å; T103-L138 HydrophobicContact CG2-CB 3.99Å; T103-L138 HydrophobicContact CG2-CD1 3.81Å; T103-S140 WeakPolarHBondContact CG2-OG 3.33Å; T103-A141 HydrophobicContact CG2-CB 4.27Å |
| 104 | E | 97.1 | Very high | 98.2 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | trans | -103.2 | 72.7 | -176.1 | -67.8 | -170.5 | 139.8 | 0 | 0 | 111.6 | D101 E106 R107 L108 | D101-E104 HydrophobicContact CB-CB 4.21Å; D101-E104 HydrophobicContact CB-CG 4.22Å; E104-E106 VanDerWaalsContact C-N 3.29Å; E104-E106 PolarHBondContact O-N 2.89Å; E104-R107 HydrophobicContact CB-CB 4.16Å; E104-R107 HydrophobicContact CB-CG 4.33Å; E104-R107 PolarHBondContact O-N 2.86Å; E104-R107 VanDerWaalsContact OE2-CD 3.3Å; E104-R107 WeakPolarHBondContact OE2-CD 3.44Å; E104-R107 IonicContact OE2-NH1 3.71Å; E104-L108 PolarHBondContact O-N 3.27Å | ||
| 105 | L | 96.8 | Very high | 98.3 | Very high | 100 Ų | 100 | 38.4 Ų | 38.4 | 52% | 0.524 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -51.1 | -45.3 | -179.1 | 177 | 61.7 | 0 | 0 | 0 | 113 | T103 R107 L108 L142 L150 | T103-L105 PolarHBondContact O-N 3.36Å; L105-R107 PolarHBondContact O-N 3.08Å; L105-L108 HydrophobicContact CD1-CD1 4.48Å; L105-L108 WeakPolarHBondContact O-CB 3.45Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L105-L142 HydrophobicContact CB-CD1 4.27Å; L105-L142 HydrophobicContact CD1-CD1 3.9Å; L105-L150 HydrophobicContact CD1-CD1 3.51Å; L105-L150 HydrophobicContact CD1-CD2 4.34Å |
| 106 | E | 95.9 | Very high | 98.2 | Very high | 187 Ų | 187 | 39.1 Ų | 39.1 | 87% | 0.874 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62.4 | -30.2 | -177.5 | -62.1 | -177.7 | 176 | 0 | 0 | 112.7 | E104 | E104-E106 VanDerWaalsContact C-N 3.29Å; E104-E106 PolarHBondContact O-N 2.89Å |
| 107 | R | 97.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -86.8 | -8.8 | -179.7 | -63.5 | -165.2 | 70.7 | -175.9 | 6.1 | 113.5 | L28 D29 E104 L105 E109 E110 A111 | L28-R107 HydrophobicContact CD1-CB 4.04Å; L28-R107 WeakPolarHBondContact CD1-O 3.48Å; D29-R107 PolarHBondContact O-NH1 3.13Å; D29-R107 IonicContact OD1-CZ 2.92Å; D29-R107 IonicContact OD1-NH1 3.85Å; D29-R107 IonicContact OD1-NH2 3.84Å; D29-R107 PolarHBondContact OD1-NH2 3.22Å; D29-R107 IonicContact OD2-CZ 2.75Å; D29-R107 IonicContact OD2-NH1 3.01Å; D29-R107 PolarHBondContact OD2-NH1 3.48Å; D29-R107 IonicContact OD2-NH2 3.92Å; D29-R107 PolarHBondContact OD2-NH2 3.34Å; E104-R107 HydrophobicContact CB-CB 4.16Å; E104-R107 HydrophobicContact CB-CG 4.33Å; E104-R107 PolarHBondContact O-N 2.86Å; E104-R107 VanDerWaalsContact OE2-CD 3.3Å; E104-R107 WeakPolarHBondContact OE2-CD 3.44Å; E104-R107 IonicContact OE2-NH1 3.71Å; L105-R107 PolarHBondContact O-N 3.08Å; R107-E109 VanDerWaalsContact C-N 3.29Å; R107-E109 PolarHBondContact O-N 2.93Å; R107-E110 IonicContact CZ-OE2 2.64Å; R107-E110 IonicContact NE-OE2 3.65Å; R107-E110 PolarHBondContact NE-OE2 3.48Å; R107-E110 IonicContact NH2-OE2 3.52Å; R107-E110 PolarHBondContact NH2-OE2 3.43Å; R107-E110 WeakPolarHBondContact O-CB 3.42Å; R107-E110 PolarHBondContact O-N 2.85Å; R107-A111 WeakPolarHBondContact O-CB 3.29Å; R107-A111 PolarHBondContact O-N 2.9Å |
| 108 | L | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -29.9 | 177.5 | -77.6 | 174.6 | 0 | 0 | 0 | 112.7 | V100 E104 L105 A111 K112 L142 L150 L151 | V100-L108 HydrophobicContact CB-CD2 3.88Å; V100-L108 HydrophobicContact CG1-CD2 4.09Å; V100-L108 HydrophobicContact CG2-CD2 4.13Å; E104-L108 PolarHBondContact O-N 3.27Å; L105-L108 HydrophobicContact CD1-CD1 4.48Å; L105-L108 WeakPolarHBondContact O-CB 3.45Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L108-A111 PolarHBondContact O-N 2.79Å; L108-K112 VanDerWaalsContact O-CB 3.29Å; L108-K112 WeakPolarHBondContact O-CB 3.32Å; L108-K112 PolarHBondContact O-N 3.19Å; L108-L142 HydrophobicContact CD1-CD1 3.35Å; L108-L150 HydrophobicContact CB-CB 4.5Å; L108-L150 HydrophobicContact CD1-CB 4.27Å; L108-L150 HydrophobicContact CD1-CD1 3.55Å; L108-L151 HydrophobicContact CD2-CD2 4.05Å; L108-L151 HydrophobicContact CD2-CG 4.4Å |
| 109 | E | 98.1 | Very high | 97.9 | Very high | 104 Ų | 104 | 44.8 Ų | 44.8 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.4 | -42.1 | 174 | -172.3 | 58.8 | -152 | 0 | 0 | 111 | R107 A111 K112 V113 | R107-E109 VanDerWaalsContact C-N 3.29Å; R107-E109 PolarHBondContact O-N 2.93Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 2.93Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.47Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 WeakPolarHBondContact OE2-CD 3.41Å; E109-K112 IonicContact OE2-NZ 3.62Å; E109-V113 WeakPolarHBondContact O-CG2 3.38Å; E109-V113 PolarHBondContact O-N 2.66Å |
| 110 | E | 98.5 | Very high | 97.6 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 171.9 | -177.5 | -172.9 | -164.3 | 0 | 0 | 111.1 | L28 R83 R107 K112 V113 E114 | L28-E110 HydrophobicContact CD1-CB 4.1Å; L28-E110 HydrophobicContact CD1-CG 4.02Å; L28-E110 WeakPolarHBondContact CD1-OE2 3.37Å; L28-E110 HydrophobicContact CD2-CG 4.07Å; R83-E110 IonicContact CZ-OE1 3.79Å; R83-E110 IonicContact NH1-OE1 2.85Å; R83-E110 PolarHBondContact NH1-OE1 2.75Å; R83-E110 IonicContact NH2-OE1 3.41Å; R83-E110 PolarHBondContact NH2-OE1 3.02Å; R83-E110 IonicContact NH2-OE2 2.71Å; R107-E110 IonicContact CZ-OE2 2.64Å; R107-E110 IonicContact NE-OE2 3.65Å; R107-E110 PolarHBondContact NE-OE2 3.48Å; R107-E110 IonicContact NH2-OE2 3.52Å; R107-E110 PolarHBondContact NH2-OE2 3.43Å; R107-E110 WeakPolarHBondContact O-CB 3.42Å; R107-E110 PolarHBondContact O-N 2.85Å; E110-K112 PolarHBondContact O-N 3.48Å; E110-V113 PolarHBondContact O-N 2.8Å; E110-E114 PolarHBondContact O-N 2.78Å; E110-E114 VanDerWaalsContact O-N 3.15Å |
| 111 | A | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L28 F98 V100 R107 L108 E109 E114 L115 L151 | L28-A111 HydrophobicContact CD1-CB 3.8Å; L28-A111 HydrophobicContact CG-CB 4.01Å; F98-A111 HydrophobicContact CE1-CB 4.07Å; F98-A111 HydrophobicContact CZ-CB 4.18Å; F98-A111 VanDerWaalsContact CZ-O 3.25Å; F98-A111 WeakPolarHBondContact CZ-O 3.41Å; V100-A111 HydrophobicContact CG1-CB 4.08Å; R107-A111 WeakPolarHBondContact O-CB 3.29Å; R107-A111 PolarHBondContact O-N 2.9Å; L108-A111 PolarHBondContact O-N 2.79Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 2.93Å; A111-E114 PolarHBondContact O-N 2.82Å; A111-L115 VanDerWaalsContact O-CB 3.25Å; A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.09Å; A111-L151 HydrophobicContact CB-CD2 4.1Å |
| 112 | K | 98.7 | Very high | 97 | Very high | 55 Ų | 55 | 57 Ų | 57 | 24% | 0.239 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 174.4 | 177.2 | -166 | -176.2 | -178.9 | 0 | 110.7 | L108 E109 E110 E114 L115 H116 L150 L151 | L108-K112 VanDerWaalsContact O-CB 3.29Å; L108-K112 WeakPolarHBondContact O-CB 3.32Å; L108-K112 PolarHBondContact O-N 3.19Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.47Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 WeakPolarHBondContact OE2-CD 3.41Å; E109-K112 IonicContact OE2-NZ 3.62Å; E110-K112 PolarHBondContact O-N 3.48Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 3.29Å; K112-L115 PolarHBondContact O-N 3.28Å; K112-H116 WeakPolarHBondContact O-CB 3.31Å; K112-H116 PolarHBondContact O-CD2 3.3Å; K112-H116 PolarHBondContact O-N 3.21Å; K112-L150 WeakPolarHBondContact CD-O 3.29Å; K112-L151 HydrophobicContact CB-CD2 4Å |
| 113 | V | 98.5 | Very high | 96.7 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.5 | -48.1 | -179.6 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | E109 E110 K117 | E109-V113 WeakPolarHBondContact O-CG2 3.38Å; E109-V113 PolarHBondContact O-N 2.66Å; E110-V113 PolarHBondContact O-N 2.8Å; V113-K117 VanDerWaalsContact O-CB 3.22Å; V113-K117 WeakPolarHBondContact O-CB 3.25Å; V113-K117 PolarHBondContact O-N 2.96Å |
| 114 | E | 98.6 | Very high | 96.5 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.8 | -36.4 | -179.7 | -69.6 | -64.7 | 143.7 | 0 | 0 | 113.1 | W86 E110 A111 K112 K117 I118 | W86-E114 HydrophobicContact CH2-CB 4.4Å; W86-E114 HydrophobicContact CZ3-CB 3.72Å; W86-E114 HydrophobicContact CZ3-CG 4.41Å; E110-E114 PolarHBondContact O-N 2.78Å; E110-E114 VanDerWaalsContact O-N 3.15Å; A111-E114 PolarHBondContact O-N 2.82Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 3.29Å; E114-K117 PolarHBondContact O-N 3.23Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 3.11Å; E114-K117 IonicContact OE2-NZ 3.02Å; E114-K117 PolarHBondContact OE2-NZ 3Å; E114-I118 WeakPolarHBondContact O-CG1 3.32Å; E114-I118 PolarHBondContact O-N 2.92Å |
| 115 | L | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.5 | -53.3 | 173.5 | 172.6 | 60.3 | 0 | 0 | 0 | 110.8 | F98 A111 K112 K117 I118 T119 V129 I131 L151 V153 L156 | F98-L115 HydrophobicContact CB-CD1 4.07Å; F98-L115 HydrophobicContact CD1-CB 4.3Å; F98-L115 HydrophobicContact CD1-CD1 4.16Å; F98-L115 HydrophobicContact CD1-CD2 4.27Å; F98-L115 HydrophobicContact CD1-CG 4.47Å; F98-L115 HydrophobicContact CD2-CB 4.3Å; F98-L115 HydrophobicContact CD2-CD1 3.89Å; F98-L115 HydrophobicContact CE1-CB 3.92Å; F98-L115 HydrophobicContact CE1-CD2 4.45Å; F98-L115 HydrophobicContact CE2-CB 3.94Å; F98-L115 HydrophobicContact CE2-CD1 4.39Å; F98-L115 HydrophobicContact CG-CB 4.48Å; F98-L115 HydrophobicContact CG-CD1 3.78Å; F98-L115 HydrophobicContact CZ-CB 3.74Å; A111-L115 VanDerWaalsContact O-CB 3.25Å; A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.09Å; K112-L115 PolarHBondContact O-N 3.28Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 2.92Å; L115-I118 PolarHBondContact O-N 3.08Å; L115-T119 HydrophobicContact CD1-CG2 3.97Å; L115-T119 WeakPolarHBondContact O-CG2 3.5Å; L115-T119 PolarHBondContact O-N 3.42Å; L115-T119 PolarHBondContact O-OG1 3.28Å; L115-T119 VanDerWaalsContact O-OG1 3.13Å; L115-V129 HydrophobicContact CD1-CG1 4.1Å; L115-I131 HydrophobicContact CD2-CG1 4.47Å; L115-L151 HydrophobicContact CD2-CB 4.36Å; L115-L151 HydrophobicContact CD2-CD1 4.42Å; L115-V153 HydrophobicContact CD2-CG1 4.47Å; L115-L156 HydrophobicContact CD1-CD2 4.27Å; L115-L156 HydrophobicContact CD2-CD1 4.28Å; L115-L156 HydrophobicContact CD2-CD2 3.95Å; L115-L156 HydrophobicContact CG-CD2 3.7Å |
| 116 | H | 97.9 | Very high | 96 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 180 | -83.1 | -89.3 | 0 | 0 | 0 | 112 | K112 I118 T119 R120 L151 A152 | K112-H116 WeakPolarHBondContact O-CB 3.31Å; K112-H116 PolarHBondContact O-CD2 3.3Å; K112-H116 PolarHBondContact O-N 3.21Å; H116-I118 VanDerWaalsContact C-N 3.33Å; H116-I118 PolarHBondContact O-N 3.12Å; H116-T119 PolarHBondContact O-OG1 3.37Å; H116-R120 PolarHBondContact ND1-NH2 2.71Å; H116-R120 VanDerWaalsContact O-CB 3.23Å; H116-R120 WeakPolarHBondContact O-CB 3.21Å; H116-R120 WeakPolarHBondContact O-CD 3.48Å; H116-R120 WeakPolarHBondContact O-CG 3.32Å; H116-R120 PolarHBondContact O-N 2.93Å; H116-L151 PolarHBondContact NE2-O 3.22Å; H116-A152 PolarHBondContact CE1-O 3.43Å; H116-A152 PolarHBondContact NE2-O 3.08Å |
| 117 | K | 96.8 | Very high | 96.1 | Very high | 113 Ų | 113 | 46.8 Ų | 46.8 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.9 | -43 | 175.4 | 176.7 | -176.6 | 170.9 | -165.8 | 0 | 112.1 | V113 E114 L115 T121 | V113-K117 VanDerWaalsContact O-CB 3.22Å; V113-K117 WeakPolarHBondContact O-CB 3.25Å; V113-K117 PolarHBondContact O-N 2.96Å; E114-K117 PolarHBondContact O-N 3.23Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 3.11Å; E114-K117 IonicContact OE2-NZ 3.02Å; E114-K117 PolarHBondContact OE2-NZ 3Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 2.92Å; K117-T121 WeakPolarHBondContact O-CG2 3.36Å |
| 118 | I | 96.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.8 | -46 | 179.6 | -70.3 | -61.7 | 0 | 0 | 0 | 112 | I26 W86 T90 I96 E114 L115 H116 R120 T121 N124 | I26-I118 HydrophobicContact CD1-CB 4.46Å; I26-I118 HydrophobicContact CD1-CG1 4.26Å; I26-I118 HydrophobicContact CD1-CG2 3.89Å; W86-I118 HydrophobicContact CB-CD1 3.66Å; W86-I118 HydrophobicContact CB-CG1 4.35Å; W86-I118 HydrophobicContact CE3-CD1 4.38Å; W86-I118 HydrophobicContact CE3-CG1 3.94Å; T90-I118 HydrophobicContact CG2-CG2 3.97Å; I96-I118 HydrophobicContact CD1-CG2 4.25Å; E114-I118 WeakPolarHBondContact O-CG1 3.32Å; E114-I118 PolarHBondContact O-N 2.92Å; L115-I118 PolarHBondContact O-N 3.08Å; H116-I118 VanDerWaalsContact C-N 3.33Å; H116-I118 PolarHBondContact O-N 3.12Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 3.08Å; I118-T121 PolarHBondContact O-N 2.92Å; I118-T121 PolarHBondContact O-OG1 2.96Å; I118-N124 VanDerWaalsContact CG2-ND2 3.34Å; I118-N124 WeakPolarHBondContact CG2-ND2 3.48Å; I118-N124 WeakPolarHBondContact O-CB 3.3Å; I118-N124 PolarHBondContact O-ND2 3.24Å |
| 119 | T | 95.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.6 | -29.4 | -177 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | L115 H116 T121 V129 L156 | L115-T119 HydrophobicContact CD1-CG2 3.97Å; L115-T119 WeakPolarHBondContact O-CG2 3.5Å; L115-T119 PolarHBondContact O-N 3.42Å; L115-T119 PolarHBondContact O-OG1 3.28Å; L115-T119 VanDerWaalsContact O-OG1 3.13Å; H116-T119 PolarHBondContact O-OG1 3.37Å; T119-T121 VanDerWaalsContact C-N 3.3Å; T119-T121 PolarHBondContact O-N 2.64Å; T119-V129 HydrophobicContact CG2-CG2 3.82Å; T119-L156 HydrophobicContact CG2-CD2 4.09Å; T119-L156 WeakPolarHBondContact OG1-CD2 3.44Å |
| 120 | R | 93.3 | Very high | 96.2 | Very high | 147 Ų | 147 | 39.1 Ų | 39.1 | 56% | 0.555 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.2 | 178.1 | -69.2 | 174 | -172.4 | -136.3 | 2.5 | 114.1 | H116 I118 Q125 | H116-R120 PolarHBondContact ND1-NH2 2.71Å; H116-R120 VanDerWaalsContact O-CB 3.23Å; H116-R120 WeakPolarHBondContact O-CB 3.21Å; H116-R120 WeakPolarHBondContact O-CD 3.48Å; H116-R120 WeakPolarHBondContact O-CG 3.32Å; H116-R120 PolarHBondContact O-N 2.93Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 3.08Å; R120-Q125 PolarHBondContact O-NE2 3.2Å |
| 121 | T | 92.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 36 Ų | 36 | 16% | 0.16 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -61.8 | 141.1 | 175.4 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | K117 I118 T119 E123 N124 Q125 | K117-T121 WeakPolarHBondContact O-CG2 3.36Å; I118-T121 PolarHBondContact O-N 2.92Å; I118-T121 PolarHBondContact O-OG1 2.96Å; T119-T121 VanDerWaalsContact C-N 3.3Å; T119-T121 PolarHBondContact O-N 2.64Å; T121-E123 PolarHBondContact O-N 2.95Å; T121-E123 VanDerWaalsContact O-N 3.13Å; T121-N124 PolarHBondContact O-N 2.97Å; T121-N124 VanDerWaalsContact OG1-CB 3.31Å; T121-N124 WeakPolarHBondContact OG1-CB 3.3Å; T121-N124 PolarHBondContact OG1-ND2 3.16Å; T121-N124 VanDerWaalsContact OG1-ND2 3.14Å; T121-Q125 PolarHBondContact O-N 2.92Å |
| 122 | S | 92.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 36.2 Ų | 36.2 | 69% | 0.685 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -54.1 | -34.9 | -178.3 | 38.9 | 0 | 0 | 0 | 0 | 113.4 | N124 | S122-N124 VanDerWaalsContact C-N 3.3Å; S122-N124 PolarHBondContact O-N 3.18Å |
| 123 | E | 92.2 | Very high | 96.2 | Very high | 79 Ų | 79 | 33.6 Ų | 33.6 | 37% | 0.369 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -74.9 | -20.4 | -178.8 | -59.6 | 94.2 | 135.2 | 0 | 0 | 113.1 | R91 T121 | R91-E123 HydrophobicContact CG-CB 4.09Å; R91-E123 HydrophobicContact CG-CG 4.2Å; T121-E123 PolarHBondContact O-N 2.95Å; T121-E123 VanDerWaalsContact O-N 3.13Å |
| 124 | N | 94.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -104.9 | -0.3 | -177.9 | -66.3 | -10.5 | 0 | 0 | 0 | 113.5 | T90 I118 T121 S122 G126 V127 | T90-N124 WeakPolarHBondContact CB-ND2 3.48Å; T90-N124 PolarHBondContact O-OD1 3.24Å; T90-N124 VanDerWaalsContact O-OD1 3.08Å; T90-N124 PolarHBondContact OG1-ND2 3.38Å; T90-N124 PolarHBondContact OG1-OD1 3.02Å; I118-N124 VanDerWaalsContact CG2-ND2 3.34Å; I118-N124 WeakPolarHBondContact CG2-ND2 3.48Å; I118-N124 WeakPolarHBondContact O-CB 3.3Å; I118-N124 PolarHBondContact O-ND2 3.24Å; T121-N124 PolarHBondContact O-N 2.97Å; T121-N124 VanDerWaalsContact OG1-CB 3.31Å; T121-N124 WeakPolarHBondContact OG1-CB 3.3Å; T121-N124 PolarHBondContact OG1-ND2 3.16Å; T121-N124 VanDerWaalsContact OG1-ND2 3.14Å; S122-N124 VanDerWaalsContact C-N 3.3Å; S122-N124 PolarHBondContact O-N 3.18Å; N124-G126 PolarHBondContact O-N 3.2Å; N124-V127 HydrophobicContact CB-CG2 4.32Å; N124-V127 WeakPolarHBondContact O-CB 3.33Å; N124-V127 VanDerWaalsContact O-CG2 3.28Å; N124-V127 WeakPolarHBondContact O-CG2 3.38Å; N124-V127 PolarHBondContact O-N 2.87Å |
| 125 | Q | 91.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 31.2 Ų | 31.2 | 42% | 0.421 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 124.2 | 178.7 | -73.4 | -65.4 | -27.8 | 0 | 0 | 111.8 | R120 T121 V127 R189 | R120-Q125 PolarHBondContact O-NE2 3.2Å; T121-Q125 PolarHBondContact O-N 2.92Å; Q125-V127 PolarHBondContact O-N 3.14Å; Q125-R189 PolarHBondContact O-NH2 3.41Å |
| 126 | G | 92.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 9% | 0.093 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 7.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N124 R189 | N124-G126 PolarHBondContact O-N 3.2Å; G126-R189 WeakPolarHBondContact O-CD 3.49Å; G126-R189 PolarHBondContact O-NE 3.3Å |
| 127 | V | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | trans | -64 | 129.9 | 169 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | I96 N124 Q125 R189 | I96-V127 HydrophobicContact CD1-CB 4.38Å; I96-V127 HydrophobicContact CD1-CG1 3.95Å; I96-V127 HydrophobicContact CG1-CG1 3.86Å; N124-V127 HydrophobicContact CB-CG2 4.32Å; N124-V127 WeakPolarHBondContact O-CB 3.33Å; N124-V127 VanDerWaalsContact O-CG2 3.28Å; N124-V127 WeakPolarHBondContact O-CG2 3.38Å; N124-V127 PolarHBondContact O-N 2.87Å; Q125-V127 PolarHBondContact O-N 3.14Å; V127-R189 VanDerWaalsContact CA-CZ 3.47Å; V127-R189 VanDerWaalsContact CG2-NH2 3.29Å | ||
| 128 | P | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -67.8 | 141.6 | 179.6 | -19 | 35.5 | 0 | 0 | 0 | 111.7 | D94 I96 L161 L182 M185 I186 R189 | D94-P128 WeakPolarHBondContact O-CD 3.37Å; I96-P128 PolarHBondContact N-O 3.25Å; P128-L161 CarbonylContact C-O 3.54Å; P128-L161 VanDerWaalsContact CA-O 3.27Å; P128-L161 WeakPolarHBondContact CA-O 3.41Å; P128-L161 HydrophobicContact CB-CB 4.34Å; P128-L182 HydrophobicContact CB-CD1 4.19Å; P128-M185 HydrophobicContact CB-CB 3.63Å; P128-M185 HydrophobicContact CB-CE 4.33Å; P128-M185 HydrophobicContact CB-SD 4.46Å; P128-M185 HydrophobicContact CG-CB 4.1Å; P128-I186 HydrophobicContact CG-CG1 4.2Å; P128-R189 HydrophobicContact CG-CB 4.27Å | ||
| 129 | V | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.3 | -176.7 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | I96 F98 L115 T119 I131 T160 L161 Y162 Q163 | I96-V129 CarbonylContact O-C 3.57Å; I96-V129 WeakPolarHBondContact O-CA 3.43Å; F98-V129 HydrophobicContact CB-CG1 4.34Å; L115-V129 HydrophobicContact CD1-CG1 4.1Å; T119-V129 HydrophobicContact CG2-CG2 3.82Å; V129-I131 HydrophobicContact CB-CD1 4.4Å; V129-I131 HydrophobicContact CG1-CD1 3.83Å; V129-I131 HydrophobicContact CG1-CG1 4.25Å; V129-T160 HydrophobicContact CG2-CG2 3.86Å; V129-L161 PolarHBondContact N-O 3.07Å; V129-Y162 WeakPolarHBondContact O-CA 3.41Å; V129-Q163 PolarHBondContact O-N 3.08Å; V129-Q163 VanDerWaalsContact O-N 3.11Å |
| 130 | L | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.5 | 165.6 | 174.5 | 68.2 | 0 | 0 | 0 | 108.5 | I96 V97 F98 L132 Q163 Q165 G178 L179 L182 | I96-L130 PolarHBondContact O-N 3.34Å; V97-L130 CarbonylContact C-O 3.59Å; V97-L130 WeakPolarHBondContact CA-O 3.43Å; V97-L130 HydrophobicContact CG1-CD2 4.48Å; V97-L130 HydrophobicContact CG2-CB 4.43Å; V97-L130 HydrophobicContact CG2-CD2 4.2Å; F98-L130 PolarHBondContact N-O 3.06Å; L130-L132 HydrophobicContact CD1-CD2 4.28Å; L130-L132 HydrophobicContact CD2-CD2 3.83Å; L130-L132 HydrophobicContact CD2-CG 4.08Å; L130-L132 HydrophobicContact CG-CD2 3.99Å; L130-L132 HydrophobicContact CG-CG 4.18Å; L130-Q163 HydrophobicContact CD1-CB 4.09Å; L130-Q163 HydrophobicContact CD1-CG 4.12Å; L130-Q165 HydrophobicContact CD1-CB 4.17Å; L130-G178 VanDerWaalsContact CD2-C 3.43Å; L130-G178 VanDerWaalsContact CD2-O 3.3Å; L130-G178 WeakPolarHBondContact CD2-O 3.46Å; L130-L179 HydrophobicContact CD2-CD2 4.27Å; L130-L182 HydrophobicContact CB-CB 4.13Å; L130-L182 HydrophobicContact CB-CD1 4.15Å; L130-L182 HydrophobicContact CB-CD2 4.34Å; L130-L182 HydrophobicContact CB-CG 4.44Å; L130-L182 HydrophobicContact CD2-CB 4.22Å |
| 131 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.6 | 170.6 | -58.9 | 84.9 | 0 | 0 | 0 | 107.7 | F98 V100 L115 V129 V147 L151 V153 L156 Q163 V164 Q165 | F98-I131 CarbonylContact O-C 3.59Å; F98-I131 VanDerWaalsContact O-CA 3.29Å; F98-I131 WeakPolarHBondContact O-CA 3.27Å; V100-I131 HydrophobicContact CG2-CG2 4.47Å; L115-I131 HydrophobicContact CD2-CG1 4.47Å; V129-I131 HydrophobicContact CB-CD1 4.4Å; V129-I131 HydrophobicContact CG1-CD1 3.83Å; V129-I131 HydrophobicContact CG1-CG1 4.25Å; I131-V147 HydrophobicContact CG2-CG1 4.5Å; I131-L151 HydrophobicContact CG2-CD1 3.74Å; I131-V153 HydrophobicContact CD1-CG1 4.12Å; I131-V153 HydrophobicContact CG1-CG1 4.27Å; I131-L156 HydrophobicContact CD1-CD1 4.49Å; I131-Q163 PolarHBondContact N-O 2.84Å; I131-V164 HydrophobicContact CB-CB 4.45Å; I131-V164 HydrophobicContact CB-CG1 4.17Å; I131-V164 HydrophobicContact CB-CG2 4.22Å; I131-V164 HydrophobicContact CD1-CG2 4.36Å; I131-V164 HydrophobicContact CG2-CG1 4.09Å; I131-V164 WeakPolarHBondContact O-CA 3.16Å; I131-Q165 PolarHBondContact O-N 2.87Å |
| 132 | L | 98.9 | Very high | 97 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 106.4 | 172.8 | -70.6 | -175.6 | 0 | 0 | 0 | 109 | L36 V97 F98 V99 V100 L130 N134 Q165 C167 L175 | L36-L132 HydrophobicContact CD1-CD1 4.33Å; V97-L132 HydrophobicContact CG1-CD1 3.65Å; V97-L132 HydrophobicContact CG1-CG 3.93Å; F98-L132 PolarHBondContact O-N 3.4Å; V99-L132 HydrophobicContact CG2-CB 4.36Å; V99-L132 HydrophobicContact CG2-CD1 4.47Å; V100-L132 PolarHBondContact N-O 2.93Å; L130-L132 HydrophobicContact CD1-CD2 4.28Å; L130-L132 HydrophobicContact CD2-CD2 3.83Å; L130-L132 HydrophobicContact CD2-CG 4.08Å; L130-L132 HydrophobicContact CG-CD2 3.99Å; L130-L132 HydrophobicContact CG-CG 4.18Å; L132-N134 VanDerWaalsContact C-N 3.35Å; L132-N134 PolarHBondContact O-N 2.91Å; L132-N134 VanDerWaalsContact O-N 3.12Å; L132-Q165 WeakPolarHBondContact CA-O 3.44Å; L132-Q165 HydrophobicContact CD2-CB 4.09Å; L132-Q165 HydrophobicContact CD2-CG 4.3Å; L132-C167 HydrophobicContact CD2-CB 4.48Å; L132-L175 HydrophobicContact CD1-CD2 4.34Å |
| 133 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 88.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V100 S102 Q136 V147 V164 Q165 G166 C167 | V100-A133 HydrophobicContact CG2-CB 4.48Å; S102-A133 WeakPolarHBondContact OG-CA 3.43Å; S102-A133 WeakPolarHBondContact OG-CB 3.39Å; S102-A133 PolarHBondContact OG-O 3.34Å; A133-Q136 VanDerWaalsContact O-CG 3.3Å; A133-Q136 WeakPolarHBondContact O-CG 3.19Å; A133-V147 HydrophobicContact CB-CB 4.26Å; A133-V147 HydrophobicContact CB-CG1 4.08Å; A133-V147 HydrophobicContact CB-CG2 4.08Å; A133-V164 HydrophobicContact CB-CG1 4.5Å; A133-Q165 PolarHBondContact N-O 3.5Å; A133-G166 WeakPolarHBondContact O-CA 3.34Å; A133-C167 PolarHBondContact O-N 2.98Å |
| 134 | N | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 166.3 | -171.1 | -170.9 | 34.1 | 0 | 0 | 0 | 112.1 | A31 L36 V99 V100 S102 L132 C167 S168 A169 | A31-N134 PolarHBondContact O-ND2 3.25Å; L36-N134 HydrophobicContact CD1-CB 4.32Å; V99-N134 HydrophobicContact CG1-CB 3.89Å; V100-N134 WeakPolarHBondContact O-CB 3.48Å; V100-N134 PolarHBondContact O-N 3.21Å; S102-N134 WeakPolarHBondContact CB-O 3.29Å; S102-N134 PolarHBondContact N-O 2.87Å; S102-N134 PolarHBondContact OG-N 3.01Å; S102-N134 PolarHBondContact OG-O 3.32Å; L132-N134 VanDerWaalsContact C-N 3.35Å; L132-N134 PolarHBondContact O-N 2.91Å; L132-N134 VanDerWaalsContact O-N 3.12Å; N134-C167 CarbonylContact C-O 3.5Å; N134-C167 VanDerWaalsContact CA-O 3.31Å; N134-C167 WeakPolarHBondContact CA-O 3.09Å; N134-C167 PolarHBondContact OD1-O 2.79Å; N134-S168 WeakPolarHBondContact OD1-CA 2.9Å; N134-A169 PolarHBondContact OD1-N 2.8Å |
| 135 | K | 98.5 | Very high | 97.8 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 22% | 0.222 | 23% | 0.23 | C | C | . | . | trans | 69.5 | 30.4 | 179.9 | -44 | -163 | -164.8 | 172.5 | 0 | 114.6 | S30 D101 T103 D137 L138 A141 C167 | S30-K135 WeakPolarHBondContact O-CE 3.32Å; S30-K135 PolarHBondContact O-NZ 2.8Å; S30-K135 VanDerWaalsContact O-NZ 3.09Å; D101-K135 VanDerWaalsContact CG-CE 3.42Å; D101-K135 WeakPolarHBondContact OD1-CD 3.16Å; D101-K135 IonicContact OD1-NZ 3.81Å; D101-K135 WeakPolarHBondContact OD2-CE 3.36Å; D101-K135 IonicContact OD2-NZ 2.58Å; D101-K135 PolarHBondContact OD2-NZ 3.42Å; T103-K135 HydrophobicContact CG2-CB 4.38Å; K135-D137 VanDerWaalsContact CA-OD1 3.32Å; K135-D137 WeakPolarHBondContact CA-OD1 3.23Å; K135-D137 PolarHBondContact O-N 2.92Å; K135-D137 VanDerWaalsContact O-N 3.13Å; K135-L138 HydrophobicContact CB-CD1 4.08Å; K135-L138 HydrophobicContact CB-CG 4.48Å; K135-L138 HydrophobicContact CD-CD1 4.31Å; K135-L138 PolarHBondContact O-N 3.49Å; K135-L138 VanDerWaalsContact O-N 3.13Å; K135-A141 WeakPolarHBondContact O-CB 3.3Å; K135-C167 PolarHBondContact N-O 3.3Å; K135-C167 VanDerWaalsContact N-O 3.09Å | ||
| 136 | Q | 98.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4.7 | 174.9 | -64.7 | -72.7 | -48.6 | 0 | 0 | 113.5 | S102 A133 L138 L142 C167 | S102-Q136 VanDerWaalsContact CB-NE2 3.32Å; S102-Q136 PolarHBondContact OG-NE2 2.82Å; A133-Q136 VanDerWaalsContact O-CG 3.3Å; A133-Q136 WeakPolarHBondContact O-CG 3.19Å; Q136-L138 PolarHBondContact O-N 2.83Å; Q136-L142 PolarHBondContact NE2-O 3.07Å; Q136-C167 PolarHBondContact N-O 2.81Å; Q136-C167 VanDerWaalsContact N-O 3.13Å |
| 137 | D | 98.1 | Very high | 98.4 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -8.9 | 168.7 | 55.7 | -72 | 0 | 0 | 0 | 113.6 | K135 S168 | K135-D137 VanDerWaalsContact CA-OD1 3.32Å; K135-D137 WeakPolarHBondContact CA-OD1 3.23Å; K135-D137 PolarHBondContact O-N 2.92Å; K135-D137 VanDerWaalsContact O-N 3.13Å; D137-S168 WeakPolarHBondContact OD1-CB 3.36Å; D137-S168 PolarHBondContact OD1-OG 2.92Å |
| 138 | L | 98.1 | Very high | 98.5 | Very high | 76 Ų | 76 | 42 Ų | 42 | 40% | 0.398 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -105 | 137.3 | -178.6 | -57.5 | 178.4 | 0 | 0 | 0 | 111.1 | T103 K135 Q136 S140 A141 | T103-L138 HydrophobicContact CG2-CB 3.99Å; T103-L138 HydrophobicContact CG2-CD1 3.81Å; K135-L138 HydrophobicContact CB-CD1 4.08Å; K135-L138 HydrophobicContact CB-CG 4.48Å; K135-L138 HydrophobicContact CD-CD1 4.31Å; K135-L138 PolarHBondContact O-N 3.49Å; K135-L138 VanDerWaalsContact O-N 3.13Å; Q136-L138 PolarHBondContact O-N 2.83Å; L138-S140 PolarHBondContact O-N 3.38Å; L138-S140 VanDerWaalsContact O-N 3.16Å; L138-A141 WeakPolarHBondContact O-CB 3.05Å; L138-A141 PolarHBondContact O-N 3.47Å |
| 139 | D | 97.1 | Very high | 98.5 | Very high | 177 Ų | 177 | 50.2 Ų | 50.2 | 95% | 0.947 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.8 | -178.2 | -63.6 | -30.1 | 0 | 0 | 0 | 113.9 | A141 | D139-A141 PolarHBondContact O-N 2.91Š|
| 140 | S | 97.4 | Very high | 98.5 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 60% | 0.601 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.2 | 177.5 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | T103 L138 L142 | T103-S140 WeakPolarHBondContact CG2-OG 3.33Å; L138-S140 PolarHBondContact O-N 3.38Å; L138-S140 VanDerWaalsContact O-N 3.16Å; S140-L142 PolarHBondContact O-N 3.34Å |
| 141 | A | 98.6 | Very high | 98.5 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 126.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T103 K135 L138 D139 | T103-A141 HydrophobicContact CG2-CB 4.27Å; K135-A141 WeakPolarHBondContact O-CB 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.05Å; L138-A141 PolarHBondContact O-N 3.47Å; D139-A141 PolarHBondContact O-N 2.91Å |
| 142 | L | 98.7 | Very high | 98.5 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 143.7 | 168.7 | -65.8 | 165.2 | 0 | 0 | 0 | 110 | S102 L105 L108 Q136 S140 E146 V147 L150 | S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 VanDerWaalsContact O-CG 3.25Å; S102-L142 WeakPolarHBondContact O-CG 3.5Å; S102-L142 PolarHBondContact O-N 2.68Å; L105-L142 HydrophobicContact CB-CD1 4.27Å; L105-L142 HydrophobicContact CD1-CD1 3.9Å; L108-L142 HydrophobicContact CD1-CD1 3.35Å; Q136-L142 PolarHBondContact NE2-O 3.07Å; S140-L142 PolarHBondContact O-N 3.34Å; L142-E146 HydrophobicContact CB-CB 4.22Å; L142-E146 HydrophobicContact CD2-CB 4.41Å; L142-V147 HydrophobicContact CB-CG2 4Å; L142-L150 HydrophobicContact CD1-CD1 4.02Å |
| 143 | S | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 157.9 | 174.8 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | G145 E146 V147 | S143-G145 PolarHBondContact O-N 2.91Å; S143-E146 VanDerWaalsContact CB-OE2 3.28Å; S143-E146 WeakPolarHBondContact CB-OE2 3.21Å; S143-E146 PolarHBondContact N-OE2 2.81Å; S143-E146 PolarHBondContact O-N 2.87Å; S143-E146 VanDerWaalsContact O-N 3.09Å; S143-E146 VanDerWaalsContact OG-CG 3.31Å; S143-E146 WeakPolarHBondContact OG-CG 3.13Å; S143-E146 PolarHBondContact OG-N 2.86Å; S143-E146 PolarHBondContact OG-OE2 3.32Å; S143-V147 PolarHBondContact O-N 2.93Å |
| 144 | V | 98.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.1 | -39.6 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | V147 E148 V164 | V144-V147 PolarHBondContact O-N 3.42Å; V144-E148 VanDerWaalsContact O-CB 3.3Å; V144-E148 WeakPolarHBondContact O-CB 3.34Å; V144-E148 PolarHBondContact O-N 3.41Å; V144-V164 HydrophobicContact CG1-CB 3.9Å; V144-V164 HydrophobicContact CG1-CG1 3.72Å |
| 145 | G | 98.6 | Very high | 98.1 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.2 | -35 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S143 K149 | S143-G145 PolarHBondContact O-N 2.91Å; G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 3.12Å |
| 146 | E | 98.6 | Very high | 97.9 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.9 | -46.1 | 173.9 | -73.6 | 165.4 | 120.6 | 0 | 0 | 111.2 | L142 S143 E148 K149 L150 | L142-E146 HydrophobicContact CB-CB 4.22Å; L142-E146 HydrophobicContact CD2-CB 4.41Å; S143-E146 VanDerWaalsContact CB-OE2 3.28Å; S143-E146 WeakPolarHBondContact CB-OE2 3.21Å; S143-E146 PolarHBondContact N-OE2 2.81Å; S143-E146 PolarHBondContact O-N 2.87Å; S143-E146 VanDerWaalsContact O-N 3.09Å; S143-E146 VanDerWaalsContact OG-CG 3.31Å; S143-E146 WeakPolarHBondContact OG-CG 3.13Å; S143-E146 PolarHBondContact OG-N 2.86Å; S143-E146 PolarHBondContact OG-OE2 3.32Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.25Å; E146-K149 PolarHBondContact O-N 3.47Å; E146-L150 WeakPolarHBondContact O-CB 3.41Å; E146-L150 WeakPolarHBondContact O-CD1 3.32Å; E146-L150 VanDerWaalsContact O-CG 3.23Å; E146-L150 WeakPolarHBondContact O-CG 3.45Å; E146-L150 PolarHBondContact O-N 2.81Å |
| 147 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | V100 I131 A133 L142 S143 V144 K149 L150 L151 V164 | V100-V147 HydrophobicContact CG2-CG1 3.66Å; I131-V147 HydrophobicContact CG2-CG1 4.5Å; A133-V147 HydrophobicContact CB-CB 4.26Å; A133-V147 HydrophobicContact CB-CG1 4.08Å; A133-V147 HydrophobicContact CB-CG2 4.08Å; L142-V147 HydrophobicContact CB-CG2 4Å; S143-V147 PolarHBondContact O-N 2.93Å; V144-V147 PolarHBondContact O-N 3.42Å; V147-K149 VanDerWaalsContact C-N 3.34Å; V147-K149 PolarHBondContact O-N 2.98Å; V147-L150 PolarHBondContact O-N 2.78Å; V147-L151 HydrophobicContact CG1-CD1 3.7Å; V147-L151 HydrophobicContact CG1-CG 4.3Å; V147-L151 WeakPolarHBondContact O-CB 3.31Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 2.82Å; V147-V164 HydrophobicContact CG1-CG1 4.36Å |
| 148 | E | 98.6 | Very high | 96.6 | Very high | 68 Ų | 68 | 64.9 Ų | 64.9 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57 | -46.9 | 177.1 | -171.5 | 170.6 | -178.9 | 0 | 0 | 112.1 | V144 E146 A152 V153 Y162 V164 | V144-E148 VanDerWaalsContact O-CB 3.3Å; V144-E148 WeakPolarHBondContact O-CB 3.34Å; V144-E148 PolarHBondContact O-N 3.41Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.25Å; E148-A152 PolarHBondContact O-N 2.79Å; E148-V153 HydrophobicContact CB-CG2 4.46Å; E148-V153 HydrophobicContact CG-CG2 3.33Å; E148-V153 PolarHBondContact O-N 2.85Å; E148-Y162 WeakPolarHBondContact OE1-CE2 3.48Å; E148-Y162 PolarHBondContact OE1-OH 2.81Å; E148-V164 HydrophobicContact CB-CG2 3.92Å; E148-V164 HydrophobicContact CG-CG2 3.77Å |
| 149 | K | 98.5 | Very high | 96.1 | Very high | 173 Ų | 173 | 70 Ų | 70 | 75% | 0.752 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.9 | -49 | 179.1 | -177.9 | -178.7 | 176.5 | -175.3 | 0 | 111.8 | G145 E146 V147 L151 A152 | G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 3.12Å; E146-K149 PolarHBondContact O-N 3.47Å; V147-K149 VanDerWaalsContact C-N 3.34Å; V147-K149 PolarHBondContact O-N 2.98Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.26Å; K149-A152 PolarHBondContact O-N 3.03Å |
| 150 | L | 98.6 | Very high | 96 | Very high | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | -176.6 | -72.2 | 165.8 | 0 | 0 | 0 | 111.7 | L105 L108 K112 L142 E146 V147 A152 | L105-L150 HydrophobicContact CD1-CD1 3.51Å; L105-L150 HydrophobicContact CD1-CD2 4.34Å; L108-L150 HydrophobicContact CB-CB 4.5Å; L108-L150 HydrophobicContact CD1-CB 4.27Å; L108-L150 HydrophobicContact CD1-CD1 3.55Å; K112-L150 WeakPolarHBondContact CD-O 3.29Å; L142-L150 HydrophobicContact CD1-CD1 4.02Å; E146-L150 WeakPolarHBondContact O-CB 3.41Å; E146-L150 WeakPolarHBondContact O-CD1 3.32Å; E146-L150 VanDerWaalsContact O-CG 3.23Å; E146-L150 WeakPolarHBondContact O-CG 3.45Å; E146-L150 PolarHBondContact O-N 2.81Å; V147-L150 PolarHBondContact O-N 2.78Å; L150-A152 PolarHBondContact O-N 3.13Å |
| 151 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5.1 | 176.1 | -65 | 178 | 0 | 0 | 0 | 113.8 | V100 L108 A111 K112 L115 H116 I131 V147 K149 V153 | V100-L151 HydrophobicContact CG1-CD1 3.99Å; V100-L151 HydrophobicContact CG1-CD2 4.4Å; V100-L151 HydrophobicContact CG2-CD1 4.48Å; L108-L151 HydrophobicContact CD2-CD2 4.05Å; L108-L151 HydrophobicContact CD2-CG 4.4Å; A111-L151 HydrophobicContact CB-CD2 4.1Å; K112-L151 HydrophobicContact CB-CD2 4Å; L115-L151 HydrophobicContact CD2-CB 4.36Å; L115-L151 HydrophobicContact CD2-CD1 4.42Å; H116-L151 PolarHBondContact NE2-O 3.22Å; I131-L151 HydrophobicContact CG2-CD1 3.74Å; V147-L151 HydrophobicContact CG1-CD1 3.7Å; V147-L151 HydrophobicContact CG1-CG 4.3Å; V147-L151 WeakPolarHBondContact O-CB 3.31Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 2.82Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.26Å; L151-V153 HydrophobicContact CB-CG1 3.67Å; L151-V153 HydrophobicContact CD1-CG1 4.46Å; L151-V153 PolarHBondContact O-N 3.35Å |
| 152 | A | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 46.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H116 E148 K149 L150 H154 E155 | H116-A152 PolarHBondContact CE1-O 3.43Å; H116-A152 PolarHBondContact NE2-O 3.08Å; E148-A152 PolarHBondContact O-N 2.79Å; K149-A152 PolarHBondContact O-N 3.03Å; L150-A152 PolarHBondContact O-N 3.13Å; A152-H154 PolarHBondContact O-N 3.41Å; A152-H154 VanDerWaalsContact O-N 3.16Å; A152-E155 HydrophobicContact CB-CG 4.4Å; A152-E155 WeakPolarHBondContact O-CB 3.2Å; A152-E155 PolarHBondContact O-N 3.01Å |
| 153 | V | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -65.8 | -23.5 | -169.5 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | L115 I131 E148 L151 E155 L156 Y162 V164 | L115-V153 HydrophobicContact CD2-CG1 4.47Å; I131-V153 HydrophobicContact CD1-CG1 4.12Å; I131-V153 HydrophobicContact CG1-CG1 4.27Å; E148-V153 HydrophobicContact CB-CG2 4.46Å; E148-V153 HydrophobicContact CG-CG2 3.33Å; E148-V153 PolarHBondContact O-N 2.85Å; L151-V153 HydrophobicContact CB-CG1 3.67Å; L151-V153 HydrophobicContact CD1-CG1 4.46Å; L151-V153 PolarHBondContact O-N 3.35Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-E155 VanDerWaalsContact O-N 3.15Å; V153-L156 HydrophobicContact CB-CD1 3.94Å; V153-L156 HydrophobicContact CB-CG 4.41Å; V153-L156 HydrophobicContact CG1-CD1 4.38Å; V153-L156 WeakPolarHBondContact O-CB 3.42Å; V153-L156 WeakPolarHBondContact O-CG 3.14Å; V153-L156 PolarHBondContact O-N 2.86Å; V153-L156 VanDerWaalsContact O-N 3.14Å; V153-Y162 HydrophobicContact CB-CD2 4.2Å; V153-Y162 HydrophobicContact CB-CE2 4.24Å; V153-Y162 HydrophobicContact CG2-CD2 3.74Å; V153-Y162 HydrophobicContact CG2-CE1 4.45Å; V153-Y162 HydrophobicContact CG2-CE2 3.36Å; V153-Y162 HydrophobicContact CG2-CG 4.45Å; V153-V164 HydrophobicContact CG1-CG2 4.39Å; V153-V164 HydrophobicContact CG2-CG2 4.18Å |
| 154 | H | 95.3 | Very high | 96 | Very high | 126 Ų | 126 | 62.6 Ų | 62.6 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -62.9 | -16.9 | 174.2 | 66.8 | -80.7 | 0 | 0 | 0 | 112.6 | A152 | A152-H154 PolarHBondContact O-N 3.41Å; A152-H154 VanDerWaalsContact O-N 3.16Å |
| 155 | E | 96.3 | Very high | 96 | Very high | 99 Ų | 99 | 62.4 Ų | 62.4 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -96.4 | 5.2 | 178.1 | -58.7 | 177.4 | -160.1 | 0 | 0 | 113.8 | A152 V153 G157 | A152-E155 HydrophobicContact CB-CG 4.4Å; A152-E155 WeakPolarHBondContact O-CB 3.2Å; A152-E155 PolarHBondContact O-N 3.01Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-E155 VanDerWaalsContact O-N 3.15Å; E155-G157 PolarHBondContact O-N 3.5Å; E155-G157 VanDerWaalsContact O-N 3.09Å |
| 156 | L | 93.7 | Very high | 96 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -67.7 | -7.9 | -178.7 | -65.6 | 173.6 | 0 | 0 | 0 | 114.4 | L115 T119 I131 V153 T160 | L115-L156 HydrophobicContact CD1-CD2 4.27Å; L115-L156 HydrophobicContact CD2-CD1 4.28Å; L115-L156 HydrophobicContact CD2-CD2 3.95Å; L115-L156 HydrophobicContact CG-CD2 3.7Å; T119-L156 HydrophobicContact CG2-CD2 4.09Å; T119-L156 WeakPolarHBondContact OG1-CD2 3.44Å; I131-L156 HydrophobicContact CD1-CD1 4.49Å; V153-L156 HydrophobicContact CB-CD1 3.94Å; V153-L156 HydrophobicContact CB-CG 4.41Å; V153-L156 HydrophobicContact CG1-CD1 4.38Å; V153-L156 WeakPolarHBondContact O-CB 3.42Å; V153-L156 WeakPolarHBondContact O-CG 3.14Å; V153-L156 PolarHBondContact O-N 2.86Å; V153-L156 VanDerWaalsContact O-N 3.14Å; L156-T160 HydrophobicContact CB-CG2 4.07Å; L156-T160 PolarHBondContact O-OG1 3.28Å; L156-T160 VanDerWaalsContact O-OG1 3.13Å |
| 157 | G | 85.9 | Confident | 96.1 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | trans | 123.9 | 145.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E155 Y159 T160 | E155-G157 PolarHBondContact O-N 3.5Å; E155-G157 VanDerWaalsContact O-N 3.09Å; G157-Y159 PolarHBondContact O-N 3.48Å; G157-Y159 VanDerWaalsContact O-N 3.07Å; G157-T160 WeakPolarHBondContact O-CB 3.17Å; G157-T160 PolarHBondContact O-N 2.91Å | ||
| 158 | I | 85.2 | Confident | 96 | Very high | 165 Ų | 165 | 56.7 Ų | 56.7 | 85% | 0.846 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.8 | -171.1 | -57.3 | 172.3 | 0 | 0 | 0 | 112.6 | ||
| 159 | Y | 87.8 | Confident | 96 | Very high | 183 Ų | 183 | 53.7 Ų | 53.7 | 72% | 0.718 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -4.3 | -179.3 | -53.8 | -62.4 | 0 | 0 | 0 | 113.9 | G157 L161 | G157-Y159 PolarHBondContact O-N 3.48Å; G157-Y159 VanDerWaalsContact O-N 3.07Å; Y159-L161 PolarHBondContact O-N 2.72Å |
| 160 | T | 94.3 | Very high | 96 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | trans | -84.4 | 105.7 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | V129 L156 G157 | V129-T160 HydrophobicContact CG2-CG2 3.86Å; L156-T160 HydrophobicContact CB-CG2 4.07Å; L156-T160 PolarHBondContact O-OG1 3.28Å; L156-T160 VanDerWaalsContact O-OG1 3.13Å; G157-T160 WeakPolarHBondContact O-CB 3.17Å; G157-T160 PolarHBondContact O-N 2.91Å | ||
| 161 | L | 97.6 | Very high | 95.8 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | trans | -70 | 131.6 | 170.4 | -61.3 | 175.4 | 0 | 0 | 0 | 109 | P128 V129 Y159 M185 K188 | P128-L161 CarbonylContact C-O 3.54Å; P128-L161 VanDerWaalsContact CA-O 3.27Å; P128-L161 WeakPolarHBondContact CA-O 3.41Å; P128-L161 HydrophobicContact CB-CB 4.34Å; V129-L161 PolarHBondContact N-O 3.07Å; Y159-L161 PolarHBondContact O-N 2.72Å; L161-M185 VanDerWaalsContact C-SD 3.58Å; L161-M185 HydrophobicContact CB-CB 4.05Å; L161-M185 HydrophobicContact CB-CG 4.03Å; L161-M185 HydrophobicContact CB-SD 3.67Å; L161-M185 HydrophobicContact CD1-CB 4Å; L161-M185 HydrophobicContact CD1-CG 4.41Å; L161-M185 WeakPolarHBondContact CD1-O 3.48Å; L161-K188 HydrophobicContact CD1-CB 4Å; L161-K188 HydrophobicContact CD1-CD 3.87Å; L161-K188 HydrophobicContact CD1-CG 4.02Å; L161-K188 HydrophobicContact CD2-CD 4.33Å | ||
| 162 | Y | 98.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 49.9 Ų | 49.9 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 158.9 | 177.1 | 73.2 | -95.1 | 0 | 0 | 0 | 112.8 | V129 E148 V153 M185 | V129-Y162 WeakPolarHBondContact O-CA 3.41Å; E148-Y162 WeakPolarHBondContact OE1-CE2 3.48Å; E148-Y162 PolarHBondContact OE1-OH 2.81Å; V153-Y162 HydrophobicContact CB-CD2 4.2Å; V153-Y162 HydrophobicContact CB-CE2 4.24Å; V153-Y162 HydrophobicContact CG2-CD2 3.74Å; V153-Y162 HydrophobicContact CG2-CE1 4.45Å; V153-Y162 HydrophobicContact CG2-CE2 3.36Å; V153-Y162 HydrophobicContact CG2-CG 4.45Å; Y162-M185 VanDerWaalsContact C-SD 3.5Å |
| 163 | Q | 98.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 56 Ų | 56 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.3 | 168.4 | 176.9 | 66.3 | 44.3 | 0 | 0 | 108.3 | V129 L130 I131 K181 M185 | V129-Q163 PolarHBondContact O-N 3.08Å; V129-Q163 VanDerWaalsContact O-N 3.11Å; L130-Q163 HydrophobicContact CD1-CB 4.09Å; L130-Q163 HydrophobicContact CD1-CG 4.12Å; I131-Q163 PolarHBondContact N-O 2.84Å; Q163-K181 HydrophobicContact CB-CB 4.31Å; Q163-K181 HydrophobicContact CG-CB 3.96Å; Q163-K181 HydrophobicContact CG-CG 4.16Å; Q163-M185 HydrophobicContact CB-CE 3.9Å; Q163-M185 HydrophobicContact CB-SD 4.38Å |
| 164 | V | 98.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.5 | 165.9 | -164 | 0 | 0 | 0 | 0 | 108.5 | I131 A133 V144 V147 E148 V153 | I131-V164 HydrophobicContact CB-CB 4.45Å; I131-V164 HydrophobicContact CB-CG1 4.17Å; I131-V164 HydrophobicContact CB-CG2 4.22Å; I131-V164 HydrophobicContact CD1-CG2 4.36Å; I131-V164 HydrophobicContact CG2-CG1 4.09Å; I131-V164 WeakPolarHBondContact O-CA 3.16Å; A133-V164 HydrophobicContact CB-CG1 4.5Å; V144-V164 HydrophobicContact CG1-CB 3.9Å; V144-V164 HydrophobicContact CG1-CG1 3.72Å; V147-V164 HydrophobicContact CG1-CG1 4.36Å; E148-V164 HydrophobicContact CB-CG2 3.92Å; E148-V164 HydrophobicContact CG-CG2 3.77Å; V153-V164 HydrophobicContact CG1-CG2 4.39Å; V153-V164 HydrophobicContact CG2-CG2 4.18Å |
| 165 | Q | 98.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 51 Ų | 51 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 122.5 | -178.3 | 176.4 | 63.4 | 62.3 | 0 | 0 | 109.2 | L130 I131 L132 A133 G174 | L130-Q165 HydrophobicContact CD1-CB 4.17Å; I131-Q165 PolarHBondContact O-N 2.87Å; L132-Q165 WeakPolarHBondContact CA-O 3.44Å; L132-Q165 HydrophobicContact CD2-CB 4.09Å; L132-Q165 HydrophobicContact CD2-CG 4.3Å; A133-Q165 PolarHBondContact N-O 3.5Å; Q165-G174 WeakPolarHBondContact CG-O 3.48Å |
| 166 | G | 98.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 49 Ų | 49 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A133 | A133-G166 WeakPolarHBondContact O-CA 3.34Å |
| 167 | C | 98.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | trans | -151.7 | 168.9 | 178.3 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | L132 A133 N134 K135 Q136 Q173 L175 | L132-C167 HydrophobicContact CD2-CB 4.48Å; A133-C167 PolarHBondContact O-N 2.98Å; N134-C167 CarbonylContact C-O 3.5Å; N134-C167 VanDerWaalsContact CA-O 3.31Å; N134-C167 WeakPolarHBondContact CA-O 3.09Å; N134-C167 PolarHBondContact OD1-O 2.79Å; K135-C167 PolarHBondContact N-O 3.3Å; K135-C167 VanDerWaalsContact N-O 3.09Å; Q136-C167 PolarHBondContact N-O 2.81Å; Q136-C167 VanDerWaalsContact N-O 3.13Å; C167-Q173 WeakPolarHBondContact CA-O 3.27Å; C167-Q173 WeakPolarHBondContact CB-O 3.46Å; C167-L175 HydrophobicContact CB-CD2 3.47Å; C167-L175 VanDerWaalsContact CB-CD2 3.47Å; C167-L175 HydrophobicContact CB-CG 4.36Å | ||
| 168 | S | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | trans | -135.1 | 131.3 | 165.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | N134 D137 V170 D171 G172 Q173 | N134-S168 WeakPolarHBondContact OD1-CA 2.9Å; D137-S168 WeakPolarHBondContact OD1-CB 3.36Å; D137-S168 PolarHBondContact OD1-OG 2.92Å; S168-V170 PolarHBondContact O-N 3.03Å; S168-V170 WeakPolarHBondContact OG-CB 3.49Å; S168-V170 PolarHBondContact OG-N 2.99Å; S168-D171 VanDerWaalsContact CB-OD1 3.24Å; S168-D171 WeakPolarHBondContact CB-OD1 3.43Å; S168-G172 WeakPolarHBondContact O-CA 3.15Å; S168-G172 PolarHBondContact O-N 2.84Å; S168-Q173 PolarHBondContact N-O 2.78Å; S168-Q173 VanDerWaalsContact N-O 3.1Å | ||
| 169 | A | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L36 R39 F45 N134 | L36-A169 HydrophobicContact CD2-CB 3.77Å; L36-A169 HydrophobicContact CG-CB 3.81Å; R39-A169 WeakPolarHBondContact CB-O 3.46Å; R39-A169 WeakPolarHBondContact CG-O 3.26Å; R39-A169 PolarHBondContact NE-O 2.58Å; F45-A169 HydrophobicContact CD2-CB 4.49Å; F45-A169 WeakPolarHBondContact CD2-O 3.36Å; N134-A169 PolarHBondContact OD1-N 2.8Å |
| 170 | V | 97.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 37.2 Ų | 37.2 | 41% | 0.412 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -35.6 | -173.7 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | R39 F45 S168 | R39-V170 PolarHBondContact NH2-O 2.94Å; F45-V170 HydrophobicContact CD2-CG2 4.23Å; F45-V170 HydrophobicContact CE2-CG2 4.05Å; F45-V170 HydrophobicContact CZ-CG2 4.42Å; S168-V170 PolarHBondContact O-N 3.03Å; S168-V170 WeakPolarHBondContact OG-CB 3.49Å; S168-V170 PolarHBondContact OG-N 2.99Å |
| 171 | D | 96.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 40.3 Ų | 40.3 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -13 | 179.1 | 64.5 | 14.1 | 0 | 0 | 0 | 113.5 | S168 Q173 | S168-D171 VanDerWaalsContact CB-OD1 3.24Å; S168-D171 WeakPolarHBondContact CB-OD1 3.43Å; D171-Q173 VanDerWaalsContact C-N 3.35Å; D171-Q173 VanDerWaalsContact OD1-CB 3.3Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.34Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D171-Q173 PolarHBondContact OD1-N 2.91Å; D171-Q173 WeakPolarHBondContact OD2-CG 3.41Å; D171-Q173 PolarHBondContact OD2-NE2 2.99Å |
| 172 | G | 97.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 38 Ų | 38 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | trans | 84.6 | 2.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S168 L175 | S168-G172 WeakPolarHBondContact O-CA 3.15Å; S168-G172 PolarHBondContact O-N 2.84Å; G172-L175 WeakPolarHBondContact O-CG 3.49Å; G172-L175 PolarHBondContact O-N 3.45Å | ||
| 173 | Q | 98.2 | Very high | 97.8 | Very high | 134 Ų | 134 | 35.8 Ų | 35.8 | 63% | 0.626 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 141.9 | 178 | -70.3 | -169.7 | 57.5 | 0 | 0 | 111.2 | C167 S168 D171 L175 | C167-Q173 WeakPolarHBondContact CA-O 3.27Å; C167-Q173 WeakPolarHBondContact CB-O 3.46Å; S168-Q173 PolarHBondContact N-O 2.78Å; S168-Q173 VanDerWaalsContact N-O 3.1Å; D171-Q173 VanDerWaalsContact C-N 3.35Å; D171-Q173 VanDerWaalsContact OD1-CB 3.3Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.34Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D171-Q173 PolarHBondContact OD1-N 2.91Å; D171-Q173 WeakPolarHBondContact OD2-CG 3.41Å; D171-Q173 PolarHBondContact OD2-NE2 2.99Å; Q173-L175 PolarHBondContact O-N 3.35Å |
| 174 | G | 98.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -16.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q165 G178 | Q165-G174 WeakPolarHBondContact CG-O 3.48Å; G174-G178 PolarHBondContact O-N 3.09Å |
| 175 | L | 97.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -48.9 | -175 | -56.6 | -175 | 0 | 0 | 0 | 113.1 | L36 R39 L40 L132 C167 G172 Q173 G178 L179 | L36-L175 HydrophobicContact CD2-CD1 3.94Å; L36-L175 HydrophobicContact CD2-CD2 3.13Å; L36-L175 HydrophobicContact CD2-CG 4.15Å; L36-L175 HydrophobicContact CG-CD2 4.47Å; R39-L175 HydrophobicContact CB-CD1 4.12Å; R39-L175 HydrophobicContact CG-CD1 3.61Å; L40-L175 HydrophobicContact CD2-CB 3.79Å; L40-L175 HydrophobicContact CD2-CD1 4.42Å; L40-L175 HydrophobicContact CG-CB 4.25Å; L40-L175 HydrophobicContact CG-CD1 4.09Å; L132-L175 HydrophobicContact CD1-CD2 4.34Å; C167-L175 HydrophobicContact CB-CD2 3.47Å; C167-L175 VanDerWaalsContact CB-CD2 3.47Å; C167-L175 HydrophobicContact CB-CG 4.36Å; G172-L175 WeakPolarHBondContact O-CG 3.49Å; G172-L175 PolarHBondContact O-N 3.45Å; Q173-L175 PolarHBondContact O-N 3.35Å; L175-G178 PolarHBondContact O-N 3.02Å; L175-L179 WeakPolarHBondContact O-CG 3.36Å; L175-L179 PolarHBondContact O-N 3.49Å |
| 176 | Q | 96 | Very high | 97.5 | Very high | 58 Ų | 58 | 36 Ų | 36 | 27% | 0.271 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 179.9 | 179.6 | 56 | 34.6 | 0 | 0 | 110.8 | A62 G178 L179 E180 | A62-Q176 PolarHBondContact O-NE2 3.13Å; Q176-G178 VanDerWaalsContact C-N 3.35Å; Q176-G178 PolarHBondContact O-N 3.04Å; Q176-L179 PolarHBondContact O-N 2.99Å; Q176-E180 PolarHBondContact NE2-OE1 3.13Å; Q176-E180 WeakPolarHBondContact O-CG 3.37Å; Q176-E180 PolarHBondContact O-N 2.87Å |
| 177 | T | 96.9 | Very high | 97.3 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 175.9 | -50.3 | 0 | 0 | 0 | 0 | 112 | E180 K181 | T177-E180 PolarHBondContact O-N 3.13Å; T177-K181 WeakPolarHBondContact O-CG 3.31Å; T177-K181 PolarHBondContact O-N 3.1Å; T177-K181 VanDerWaalsContact O-N 3.08Å |
| 178 | G | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L130 G174 L175 Q176 E180 K181 L182 | L130-G178 VanDerWaalsContact CD2-C 3.43Å; L130-G178 VanDerWaalsContact CD2-O 3.3Å; L130-G178 WeakPolarHBondContact CD2-O 3.46Å; G174-G178 PolarHBondContact O-N 3.09Å; L175-G178 PolarHBondContact O-N 3.02Å; Q176-G178 VanDerWaalsContact C-N 3.35Å; Q176-G178 PolarHBondContact O-N 3.04Å; G178-E180 PolarHBondContact O-N 3.49Å; G178-K181 PolarHBondContact O-N 3.05Å; G178-L182 PolarHBondContact O-N 2.83Å |
| 179 | L | 97.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.4 | -34.1 | 179.2 | -66.2 | -175.1 | 0 | 0 | 0 | 113.1 | L40 I59 V61 F71 V97 L130 L175 Q176 K181 L182 Y183 | L40-L179 HydrophobicContact CD1-CD1 3.72Å; L40-L179 HydrophobicContact CD2-CD1 3.59Å; L40-L179 HydrophobicContact CG-CD1 4.27Å; I59-L179 HydrophobicContact CD1-CD1 3.83Å; V61-L179 HydrophobicContact CG1-CB 3.74Å; V61-L179 HydrophobicContact CG1-CD1 4.37Å; V61-L179 HydrophobicContact CG2-CB 4.43Å; V61-L179 HydrophobicContact CG2-CD1 3.8Å; F71-L179 HydrophobicContact CD2-CD2 4.49Å; F71-L179 HydrophobicContact CE2-CB 4.47Å; F71-L179 HydrophobicContact CE2-CD2 4.14Å; V97-L179 HydrophobicContact CG2-CD2 4.48Å; L130-L179 HydrophobicContact CD2-CD2 4.27Å; L175-L179 WeakPolarHBondContact O-CG 3.36Å; L175-L179 PolarHBondContact O-N 3.49Å; Q176-L179 PolarHBondContact O-N 2.99Å; L179-K181 VanDerWaalsContact C-N 3.35Å; L179-L182 PolarHBondContact O-N 2.74Å; L179-Y183 WeakPolarHBondContact O-CB 3.49Å; L179-Y183 PolarHBondContact O-N 3.3Å |
| 180 | E | 96.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 27% | 0.271 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 171.3 | -75.7 | 172.8 | -168.6 | 0 | 0 | 111.2 | A62 Q176 T177 G178 Y183 E184 | A62-E180 WeakPolarHBondContact O-CG 3.5Å; Q176-E180 PolarHBondContact NE2-OE1 3.13Å; Q176-E180 WeakPolarHBondContact O-CG 3.37Å; Q176-E180 PolarHBondContact O-N 2.87Å; T177-E180 PolarHBondContact O-N 3.13Å; G178-E180 PolarHBondContact O-N 3.49Å; E180-Y183 WeakPolarHBondContact O-CB 3.26Å; E180-Y183 PolarHBondContact O-N 3.16Å; E180-E184 WeakPolarHBondContact O-CG 3.39Å; E180-E184 PolarHBondContact O-N 3.47Å |
| 181 | K | 97.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 174.8 | -68.4 | -65.7 | 168.8 | -159 | 0 | 112.6 | Q163 T177 G178 L179 Y183 E184 M185 | Q163-K181 HydrophobicContact CB-CB 4.31Å; Q163-K181 HydrophobicContact CG-CB 3.96Å; Q163-K181 HydrophobicContact CG-CG 4.16Å; T177-K181 WeakPolarHBondContact O-CG 3.31Å; T177-K181 PolarHBondContact O-N 3.1Å; T177-K181 VanDerWaalsContact O-N 3.08Å; G178-K181 PolarHBondContact O-N 3.05Å; L179-K181 VanDerWaalsContact C-N 3.35Å; K181-Y183 VanDerWaalsContact C-N 3.32Å; K181-Y183 PolarHBondContact O-N 3.46Å; K181-E184 WeakPolarHBondContact CD-OE2 3.15Å; K181-E184 IonicContact NZ-OE1 3.11Å; K181-E184 IonicContact NZ-OE2 3.2Å; K181-E184 PolarHBondContact NZ-OE2 2.56Å; K181-E184 PolarHBondContact O-N 2.86Å; K181-M185 WeakPolarHBondContact O-CG 3.24Å; K181-M185 PolarHBondContact O-N 2.93Å |
| 182 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 173.9 | -177.6 | 58.3 | 0 | 0 | 0 | 111.3 | V23 F71 V97 P128 L130 G178 L179 E184 M185 I186 | V23-L182 HydrophobicContact CG1-CD2 3.94Å; V23-L182 HydrophobicContact CG2-CD2 4.29Å; F71-L182 HydrophobicContact CE2-CD2 4.24Å; V97-L182 HydrophobicContact CG2-CD2 3.62Å; P128-L182 HydrophobicContact CB-CD1 4.19Å; L130-L182 HydrophobicContact CB-CB 4.13Å; L130-L182 HydrophobicContact CB-CD1 4.15Å; L130-L182 HydrophobicContact CB-CD2 4.34Å; L130-L182 HydrophobicContact CB-CG 4.44Å; L130-L182 HydrophobicContact CD2-CB 4.22Å; G178-L182 PolarHBondContact O-N 2.83Å; L179-L182 PolarHBondContact O-N 2.74Å; L182-E184 PolarHBondContact O-N 3.26Å; L182-M185 HydrophobicContact CD1-CE 4.23Å; L182-M185 PolarHBondContact O-N 3.17Å; L182-I186 HydrophobicContact CD1-CD1 4.24Å; L182-I186 HydrophobicContact CD1-CG1 4.36Å; L182-I186 HydrophobicContact CG-CD1 3.91Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 VanDerWaalsContact O-CG1 3.24Å; L182-I186 WeakPolarHBondContact O-CG1 3.18Å; L182-I186 PolarHBondContact O-N 2.9Å |
| 183 | Y | 96.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 176.3 | 175.1 | -106.4 | 0 | 0 | 0 | 112.1 | L21 V63 T69 F71 L179 E180 K181 M185 I186 L187 | L21-Y183 HydrophobicContact CD1-CD2 3.6Å; L21-Y183 HydrophobicContact CD1-CE2 3.94Å; V63-Y183 HydrophobicContact CB-CD1 3.94Å; V63-Y183 HydrophobicContact CB-CE1 3.89Å; V63-Y183 HydrophobicContact CG1-CD1 3.41Å; V63-Y183 VanDerWaalsContact CG1-CD1 3.41Å; V63-Y183 HydrophobicContact CG1-CD2 4.28Å; V63-Y183 HydrophobicContact CG1-CE1 3.8Å; V63-Y183 HydrophobicContact CG1-CG 3.65Å; V63-Y183 HydrophobicContact CG2-CE1 4.08Å; T69-Y183 HydrophobicContact CG2-CD2 3.84Å; T69-Y183 HydrophobicContact CG2-CE2 3.91Å; F71-Y183 HydrophobicContact CE1-CD2 4.37Å; L179-Y183 WeakPolarHBondContact O-CB 3.49Å; L179-Y183 PolarHBondContact O-N 3.3Å; E180-Y183 WeakPolarHBondContact O-CB 3.26Å; E180-Y183 PolarHBondContact O-N 3.16Å; K181-Y183 VanDerWaalsContact C-N 3.32Å; K181-Y183 PolarHBondContact O-N 3.46Å; Y183-M185 VanDerWaalsContact C-N 3.32Å; Y183-M185 PolarHBondContact O-N 2.81Å; Y183-I186 WeakPolarHBondContact O-CB 3.39Å; Y183-I186 PolarHBondContact O-N 3.2Å; Y183-L187 HydrophobicContact CD1-CD1 4.26Å; Y183-L187 HydrophobicContact CD1-CG 4.41Å; Y183-L187 HydrophobicContact CD2-CD2 4.45Å; Y183-L187 HydrophobicContact CD2-CG 4.45Å; Y183-L187 HydrophobicContact CE1-CD1 3.55Å; Y183-L187 HydrophobicContact CE1-CG 4.07Å; Y183-L187 HydrophobicContact CE2-CD1 4.24Å; Y183-L187 HydrophobicContact CE2-CD2 3.88Å; Y183-L187 HydrophobicContact CE2-CG 4.09Å; Y183-L187 WeakPolarHBondContact O-CG 3.4Å; Y183-L187 PolarHBondContact O-N 2.93Å |
| 184 | E | 96 | Very high | 94.3 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.7 | -46.4 | 177 | -72.5 | 174.8 | 177.3 | 0 | 0 | 111.9 | E180 K181 L182 L187 K188 | E180-E184 WeakPolarHBondContact O-CG 3.39Å; E180-E184 PolarHBondContact O-N 3.47Å; K181-E184 WeakPolarHBondContact CD-OE2 3.15Å; K181-E184 IonicContact NZ-OE1 3.11Å; K181-E184 IonicContact NZ-OE2 3.2Å; K181-E184 PolarHBondContact NZ-OE2 2.56Å; K181-E184 PolarHBondContact O-N 2.86Å; L182-E184 PolarHBondContact O-N 3.26Å; E184-L187 PolarHBondContact O-N 3.25Å; E184-K188 PolarHBondContact O-N 3.47Å |
| 185 | M | 97.7 | Very high | 93.4 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 178.4 | -64.9 | -170.4 | -70 | 0 | 0 | 112.5 | P128 L161 Y162 Q163 K181 L182 Y183 L187 K188 R189 | P128-M185 HydrophobicContact CB-CB 3.63Å; P128-M185 HydrophobicContact CB-CE 4.33Å; P128-M185 HydrophobicContact CB-SD 4.46Å; P128-M185 HydrophobicContact CG-CB 4.1Å; L161-M185 VanDerWaalsContact C-SD 3.58Å; L161-M185 HydrophobicContact CB-CB 4.05Å; L161-M185 HydrophobicContact CB-CG 4.03Å; L161-M185 HydrophobicContact CB-SD 3.67Å; L161-M185 HydrophobicContact CD1-CB 4Å; L161-M185 HydrophobicContact CD1-CG 4.41Å; L161-M185 WeakPolarHBondContact CD1-O 3.48Å; Y162-M185 VanDerWaalsContact C-SD 3.5Å; Q163-M185 HydrophobicContact CB-CE 3.9Å; Q163-M185 HydrophobicContact CB-SD 4.38Å; K181-M185 WeakPolarHBondContact O-CG 3.24Å; K181-M185 PolarHBondContact O-N 2.93Å; L182-M185 HydrophobicContact CD1-CE 4.23Å; L182-M185 PolarHBondContact O-N 3.17Å; Y183-M185 VanDerWaalsContact C-N 3.32Å; Y183-M185 PolarHBondContact O-N 2.81Å; M185-L187 VanDerWaalsContact C-N 3.34Å; M185-L187 PolarHBondContact O-N 3.09Å; M185-K188 PolarHBondContact O-N 3.12Å; M185-R189 PolarHBondContact O-N 3.17Å |
| 186 | I | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.3 | -69.8 | 168.9 | 0 | 0 | 0 | 110.4 | L21 V23 D94 P128 L182 Y183 R189 K190 | L21-I186 HydrophobicContact CD1-CD1 4.26Å; L21-I186 HydrophobicContact CD1-CG2 4.24Å; L21-I186 HydrophobicContact CD2-CG2 4.03Å; V23-I186 HydrophobicContact CG2-CD1 4.47Å; D94-I186 HydrophobicContact CB-CD1 4.04Å; D94-I186 HydrophobicContact CB-CG1 4.4Å; D94-I186 HydrophobicContact CB-CG2 4.04Å; D94-I186 WeakPolarHBondContact O-CG1 3.44Å; P128-I186 HydrophobicContact CG-CG1 4.2Å; L182-I186 HydrophobicContact CD1-CD1 4.24Å; L182-I186 HydrophobicContact CD1-CG1 4.36Å; L182-I186 HydrophobicContact CG-CD1 3.91Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 VanDerWaalsContact O-CG1 3.24Å; L182-I186 WeakPolarHBondContact O-CG1 3.18Å; L182-I186 PolarHBondContact O-N 2.9Å; Y183-I186 WeakPolarHBondContact O-CB 3.39Å; Y183-I186 PolarHBondContact O-N 3.2Å; I186-R189 PolarHBondContact O-N 2.97Å; I186-K190 HydrophobicContact CG2-CD 4.21Å; I186-K190 WeakPolarHBondContact O-CG 3.3Å; I186-K190 PolarHBondContact O-N 3.36Å |
| 187 | L | 94.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 178.6 | -64.4 | -161.7 | 0 | 0 | 0 | 112.1 | L15 Y183 E184 M185 R189 K190 K191 | L15-L187 HydrophobicContact CD1-CD1 3.64Å; L15-L187 HydrophobicContact CD1-CD2 3.31Å; L15-L187 HydrophobicContact CD1-CG 4.05Å; L15-L187 HydrophobicContact CD2-CD2 4.45Å; Y183-L187 HydrophobicContact CD1-CD1 4.26Å; Y183-L187 HydrophobicContact CD1-CG 4.41Å; Y183-L187 HydrophobicContact CD2-CD2 4.45Å; Y183-L187 HydrophobicContact CD2-CG 4.45Å; Y183-L187 HydrophobicContact CE1-CD1 3.55Å; Y183-L187 HydrophobicContact CE1-CG 4.07Å; Y183-L187 HydrophobicContact CE2-CD1 4.24Å; Y183-L187 HydrophobicContact CE2-CD2 3.88Å; Y183-L187 HydrophobicContact CE2-CG 4.09Å; Y183-L187 WeakPolarHBondContact O-CG 3.4Å; Y183-L187 PolarHBondContact O-N 2.93Å; E184-L187 PolarHBondContact O-N 3.25Å; M185-L187 VanDerWaalsContact C-N 3.34Å; M185-L187 PolarHBondContact O-N 3.09Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 3.48Å; L187-K190 PolarHBondContact O-N 2.93Å; L187-K191 WeakPolarHBondContact O-CG 3.33Å; L187-K191 PolarHBondContact O-N 2.99Å |
| 188 | K | 95 | Very high | 90.2 | Very high | 128 Ų | 128 | 68.3 Ų | 68.3 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58 | -47.8 | 176.8 | -175.1 | 173.6 | 177 | -177.5 | 0 | 110.7 | L161 E184 M185 K191 T192 | L161-K188 HydrophobicContact CD1-CB 4Å; L161-K188 HydrophobicContact CD1-CD 3.87Å; L161-K188 HydrophobicContact CD1-CG 4.02Å; L161-K188 HydrophobicContact CD2-CD 4.33Å; E184-K188 PolarHBondContact O-N 3.47Å; M185-K188 PolarHBondContact O-N 3.12Å; K188-K191 PolarHBondContact O-N 3.08Å; K188-T192 PolarHBondContact O-N 3.34Å; K188-T192 VanDerWaalsContact O-N 3.08Å; K188-T192 PolarHBondContact O-OG1 2.83Å; K188-T192 VanDerWaalsContact O-OG1 3.12Å |
| 189 | R | 94.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 79 Ų | 79 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 175.8 | -177.2 | -173.2 | -176 | -156 | 8.8 | 112.3 | Q125 G126 V127 P128 M185 I186 L187 K191 T192 V193 | Q125-R189 PolarHBondContact O-NH2 3.41Å; G126-R189 WeakPolarHBondContact O-CD 3.49Å; G126-R189 PolarHBondContact O-NE 3.3Å; V127-R189 VanDerWaalsContact CA-CZ 3.47Å; V127-R189 VanDerWaalsContact CG2-NH2 3.29Å; P128-R189 HydrophobicContact CG-CB 4.27Å; M185-R189 PolarHBondContact O-N 3.17Å; I186-R189 PolarHBondContact O-N 2.97Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 3.48Å; R189-K191 VanDerWaalsContact C-N 3.27Å; R189-K191 PolarHBondContact O-N 3.49Å; R189-T192 PolarHBondContact O-N 3.35Å; R189-T192 VanDerWaalsContact O-N 3.14Å; R189-V193 HydrophobicContact CG-CG2 4.37Å; R189-V193 WeakPolarHBondContact O-CG2 3.35Å; R189-V193 PolarHBondContact O-N 2.9Å |
| 190 | K | 91.6 | Very high | 87 | Confident | 59 Ų | 59 | 87.6 Ų | 87.6 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | -179.9 | -75.6 | -175.3 | 176.4 | -175.9 | 0 | 111.9 | D94 I186 L187 K194 | D94-K190 WeakPolarHBondContact OD1-CE 3.39Å; D94-K190 IonicContact OD1-NZ 3.28Å; D94-K190 PolarHBondContact OD1-NZ 3.37Å; D94-K190 IonicContact OD2-NZ 3.72Å; I186-K190 HydrophobicContact CG2-CD 4.21Å; I186-K190 WeakPolarHBondContact O-CG 3.3Å; I186-K190 PolarHBondContact O-N 3.36Å; L187-K190 PolarHBondContact O-N 2.93Å; K190-K194 WeakPolarHBondContact O-CB 3.39Å; K190-K194 PolarHBondContact O-N 2.84Å; K190-K194 VanDerWaalsContact O-N 3.11Å |
| 191 | K | 90.1 | Very high | 84.9 | Confident | 106 Ų | 106 | 97.9 Ų | 97.9 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -50.4 | 173.7 | -72.6 | 176.6 | -179.2 | -176.2 | 0 | 111.3 | L187 K188 R189 V193 K194 H195 | L187-K191 WeakPolarHBondContact O-CG 3.33Å; L187-K191 PolarHBondContact O-N 2.99Å; K188-K191 PolarHBondContact O-N 3.08Å; R189-K191 VanDerWaalsContact C-N 3.27Å; R189-K191 PolarHBondContact O-N 3.49Å; K191-V193 PolarHBondContact O-N 3.5Å; K191-K194 PolarHBondContact O-N 3.21Å; K191-H195 PolarHBondContact O-N 2.76Å; K191-H195 VanDerWaalsContact O-N 3.09Å; K191-H195 PolarHBondContact O-ND1 3.35Å |
| 192 | T | 87.4 | Confident | 84.2 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 58% | 0.577 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.3 | -44.9 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | K188 R189 K194 H195 S196 | K188-T192 PolarHBondContact O-N 3.34Å; K188-T192 VanDerWaalsContact O-N 3.08Å; K188-T192 PolarHBondContact O-OG1 2.83Å; K188-T192 VanDerWaalsContact O-OG1 3.12Å; R189-T192 PolarHBondContact O-N 3.35Å; R189-T192 VanDerWaalsContact O-N 3.14Å; T192-K194 PolarHBondContact O-N 2.82Å; T192-H195 PolarHBondContact O-N 2.55Å; T192-S196 PolarHBondContact O-N 2.95Å |
| 193 | V | 84.1 | Confident | 83.5 | Confident | 63 Ų | 63 | 104.3 Ų | 104.3 | 38% | 0.382 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | R189 K191 S196 R197 | R189-V193 HydrophobicContact CG-CG2 4.37Å; R189-V193 WeakPolarHBondContact O-CG2 3.35Å; R189-V193 PolarHBondContact O-N 2.9Å; K191-V193 PolarHBondContact O-N 3.5Å; V193-S196 PolarHBondContact O-N 2.96Å; V193-S196 PolarHBondContact O-OG 3.26Å; V193-R197 PolarHBondContact O-N 3.41Å; V193-R197 VanDerWaalsContact O-N 3.17Å |
| 194 | K | 81.1 | Confident | 82.8 | Confident | 139 Ų | 139 | 108.3 Ų | 108.3 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 177.5 | -172.1 | 179.2 | 179 | -178.3 | 0 | 112.2 | K190 K191 T192 S196 R197 N198 | K190-K194 WeakPolarHBondContact O-CB 3.39Å; K190-K194 PolarHBondContact O-N 2.84Å; K190-K194 VanDerWaalsContact O-N 3.11Å; K191-K194 PolarHBondContact O-N 3.21Å; T192-K194 PolarHBondContact O-N 2.82Å; K194-S196 VanDerWaalsContact C-N 3.33Å; K194-S196 PolarHBondContact O-N 3.24Å; K194-R197 PolarHBondContact O-N 2.9Å; K194-N198 PolarHBondContact O-N 2.57Å; K194-N198 VanDerWaalsContact O-N 3.1Å |
| 195 | H | 77.4 | Confident | 82 | Confident | 124 Ų | 124 | 108.8 Ų | 108.8 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.1 | -39.2 | 177.9 | -72.1 | 83.7 | 0 | 0 | 0 | 111.9 | K191 T192 R197 N198 R199 | K191-H195 PolarHBondContact O-N 2.76Å; K191-H195 VanDerWaalsContact O-N 3.09Å; K191-H195 PolarHBondContact O-ND1 3.35Å; T192-H195 PolarHBondContact O-N 2.55Å; H195-R197 VanDerWaalsContact C-N 3.31Å; H195-R197 PolarHBondContact O-N 2.76Å; H195-N198 PolarHBondContact O-N 3.22Å; H195-R199 WeakPolarHBondContact O-CG 3.5Å; H195-R199 PolarHBondContact O-N 2.79Å |
| 196 | S | 77.3 | Confident | 81 | Confident | 60 Ų | 60 | 114.3 Ų | 114.3 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | 176.6 | 76 | 0 | 0 | 0 | 0 | 113.4 | T192 V193 K194 K200 | T192-S196 PolarHBondContact O-N 2.95Å; V193-S196 PolarHBondContact O-N 2.96Å; V193-S196 PolarHBondContact O-OG 3.26Å; K194-S196 VanDerWaalsContact C-N 3.33Å; K194-S196 PolarHBondContact O-N 3.24Å; S196-K200 WeakPolarHBondContact O-CG 3.21Å |
| 197 | R | 75.4 | Confident | 80 | Confident | 175 Ų | 175 | 121.8 Ų | 121.8 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.3 | -39.3 | 177 | -77.5 | 178.9 | 159.6 | 169.6 | -4.8 | 112.6 | V193 K194 H195 R199 K200 | V193-R197 PolarHBondContact O-N 3.41Å; V193-R197 VanDerWaalsContact O-N 3.17Å; K194-R197 PolarHBondContact O-N 2.9Å; H195-R197 VanDerWaalsContact C-N 3.31Å; H195-R197 PolarHBondContact O-N 2.76Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-K200 PolarHBondContact O-N 3.12Å |
| 198 | N | 71.6 | Confident | 78.9 | Confident | 97 Ų | 97 | 128.4 Ų | 128.4 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.6 | -26.5 | -180 | -74.2 | 5.6 | 0 | 0 | 0 | 113.3 | K194 H195 K200 | K194-N198 PolarHBondContact O-N 2.57Å; K194-N198 VanDerWaalsContact O-N 3.1Å; H195-N198 PolarHBondContact O-N 3.22Å; N198-K200 VanDerWaalsContact C-N 3.34Å |
| 199 | R | 66.4 | Low | 77.7 | Confident | 225 Ų | 225 | 128.5 Ų | 128.5 | 85% | 0.849 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -13.3 | 175.6 | -67.9 | 176.3 | 87.7 | 169.4 | 6.8 | 114 | H195 R197 | H195-R199 WeakPolarHBondContact O-CG 3.5Å; H195-R199 PolarHBondContact O-N 2.79Å; R197-R199 VanDerWaalsContact C-N 3.34Å |
| 200 | K | 61.3 | Low | 76.3 | Confident | 189 Ų | 189 | 133.8 Ų | 133.8 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -1 | 179.3 | -72.4 | -174.5 | 176.8 | -171.1 | 0 | 113.1 | S196 R197 N198 | S196-K200 WeakPolarHBondContact O-CG 3.21Å; R197-K200 PolarHBondContact O-N 3.12Å; N198-K200 VanDerWaalsContact C-N 3.34Å |
| 201 | R | 52.4 | Low | 74.9 | Confident | 274 Ų | 274 | 140.5 Ų | 140.5 | 100% | 1.034 | 63% | 0.627 | S | S | * | * | trans | -106.3 | 0 | 173.2 | -77.1 | -177.8 | 162.9 | -170.9 | -6.7 | 108.3 |
Retrieved 201 of 201 residues in 94.3 ms
(Link to these results)