| 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 | 47.9 | Very low | 90.7 | Very high | 244 Ų | 244 | 50.4 Ų | 50.4 | 100% | 1.202 | 30% | 0.296 | S | S | * | . | 0 | 133.8 | 0 | -69.7 | -171.7 | -83.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 69.3 | Low | 91.4 | Very high | 104 Ų | 104 | 57.9 Ų | 57.9 | 86% | 0.86 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 136.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 3 | G | 90.5 | Very high | 91.9 | Very high | 56 Ų | 56 | 54 Ų | 54 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 148.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 4 | K | 98.3 | Very high | 92.4 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 146.1 | 175.3 | -68.1 | -62.3 | -169.7 | -177.3 | 0 | 111 | I31 A32 D68 L172 M173 | K4-I31 HydrophobicContact CB-CG1 4.2Å; K4-I31 HydrophobicContact CB-CG2 4.41Å; K4-I31 WeakPolarHBondContact O-CA 3.19Å; K4-I31 WeakPolarHBondContact O-CG2 3.48Å; K4-A32 PolarHBondContact O-N 3.38Å; K4-D68 VanDerWaalsContact CA-OD2 3.32Å; K4-D68 WeakPolarHBondContact CA-OD2 3.44Å; K4-D68 HydrophobicContact CD-CB 4.09Å; K4-D68 WeakPolarHBondContact CD-OD1 3.17Å; K4-D68 WeakPolarHBondContact CD-OD2 3.47Å; K4-D68 IonicContact NZ-OD1 2.85Å; K4-D68 PolarHBondContact NZ-OD1 3.38Å; K4-L172 WeakPolarHBondContact CE-O 3.4Å; K4-L172 HydrophobicContact CG-CB 4.31Å; K4-M173 HydrophobicContact CB-SD 3.8Å; K4-M173 HydrophobicContact CG-SD 3.44Å; K4-M173 WeakPolarHBondContact CG-SD 3.46Å |
| 5 | R | 98.7 | Very high | 92.8 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.6 | -175.3 | -60 | 176.9 | 66.6 | -161.9 | 1.2 | 112 | A32 E64 P66 Y67 D68 V69 | R5-A32 CarbonylContact C-O 3.58Å; R5-A32 VanDerWaalsContact CA-O 3.3Å; R5-A32 WeakPolarHBondContact CA-O 3.27Å; R5-A32 HydrophobicContact CG-CB 4.24Å; R5-E64 PolarHBondContact NH1-O 2.89Å; R5-E64 PolarHBondContact NH2-O 2.98Å; R5-P66 PolarHBondContact NH1-O 2.97Å; R5-Y67 HydrophobicContact CB-CD1 3.94Å; R5-D68 PolarHBondContact N-OD2 3.44Å; R5-D68 WeakPolarHBondContact O-CA 3.26Å; R5-D68 WeakPolarHBondContact O-CB 3.44Å; R5-D68 PolarHBondContact O-N 3.01Å; R5-V69 PolarHBondContact O-N 3.23Å |
| 6 | A | 98.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M26 I31 A32 V33 T34 V69 | A6-M26 HydrophobicContact CB-CE 4.02Å; A6-M26 HydrophobicContact CB-SD 3.69Å; A6-I31 HydrophobicContact CB-CG2 3.78Å; A6-A32 PolarHBondContact N-O 3.17Å; A6-V33 HydrophobicContact CB-CG1 4.41Å; A6-V33 HydrophobicContact CB-CG2 4.15Å; A6-V33 WeakPolarHBondContact O-CA 3.5Å; A6-T34 PolarHBondContact O-N 3.14Å; A6-V69 WeakPolarHBondContact CA-O 3.48Å; A6-V69 HydrophobicContact CB-CG1 3.39Å |
| 7 | L | 98.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.1 | 169.7 | 179.2 | 64.2 | 0 | 0 | 0 | 109.1 | I9 T34 A36 L58 A61 Y67 V69 V70 L71 V91 | L7-I9 HydrophobicContact CD2-CD1 4.5Å; L7-I9 HydrophobicContact CD2-CG1 4.33Å; L7-I9 HydrophobicContact CG-CG1 4.18Å; L7-T34 HydrophobicContact CD1-CG2 4.4Å; L7-A36 HydrophobicContact CD1-CB 3.54Å; L7-L58 HydrophobicContact CD2-CD1 4.17Å; L7-A61 HydrophobicContact CD1-CB 3.82Å; L7-Y67 HydrophobicContact CB-CD1 3.76Å; L7-Y67 HydrophobicContact CB-CD2 3.81Å; L7-Y67 HydrophobicContact CB-CE1 4.01Å; L7-Y67 HydrophobicContact CB-CE2 4.09Å; L7-Y67 HydrophobicContact CB-CG 3.65Å; L7-Y67 HydrophobicContact CD1-CE1 4.45Å; L7-Y67 HydrophobicContact CD1-CE2 4.28Å; L7-Y67 HydrophobicContact CD2-CD2 4.13Å; L7-Y67 HydrophobicContact CD2-CE2 4.1Å; L7-Y67 HydrophobicContact CG-CD2 4.47Å; L7-Y67 HydrophobicContact CG-CE2 4.4Å; L7-V69 PolarHBondContact N-O 3.14Å; L7-V70 HydrophobicContact CB-CG2 4.37Å; L7-V70 HydrophobicContact CD2-CG2 4.33Å; L7-V70 CarbonylContact O-C 3.59Å; L7-V70 WeakPolarHBondContact O-CA 3.25Å; L7-L71 PolarHBondContact O-N 3.24Å; L7-V91 HydrophobicContact CD2-CG1 3.91Å |
| 8 | V | 98.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | L10 T19 V23 M26 V33 T34 A36 L71 P73 | V8-L10 PolarHBondContact O-N 3.3Å; V8-T19 HydrophobicContact CG1-CG2 4.4Å; V8-V23 HydrophobicContact CB-CG2 4.22Å; V8-V23 HydrophobicContact CG1-CG2 4.14Å; V8-V23 HydrophobicContact CG2-CG2 3.82Å; V8-M26 HydrophobicContact CG2-CE 3.75Å; V8-V33 HydrophobicContact CG2-CG1 3.79Å; V8-T34 PolarHBondContact N-O 2.92Å; V8-A36 PolarHBondContact O-N 3.06Å; V8-L71 HydrophobicContact CG1-CD2 4.02Å; V8-L71 HydrophobicContact CG2-CB 4.1Å; V8-P73 HydrophobicContact CG1-CG 4.05Å |
| 9 | I | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 105.2 | -176.2 | -51.7 | 177.7 | 0 | 0 | 0 | 109.6 | L7 L38 L58 V70 L71 L72 P73 L82 V88 V91 | L7-I9 HydrophobicContact CD2-CD1 4.5Å; L7-I9 HydrophobicContact CD2-CG1 4.33Å; L7-I9 HydrophobicContact CG-CG1 4.18Å; I9-L38 HydrophobicContact CG2-CB 4.41Å; I9-L38 HydrophobicContact CG2-CD1 4.2Å; I9-L58 HydrophobicContact CD1-CD1 4.04Å; I9-L58 HydrophobicContact CD1-CD2 4.49Å; I9-L58 HydrophobicContact CG1-CD1 4.02Å; I9-L58 HydrophobicContact CG2-CD1 4.36Å; I9-L58 HydrophobicContact CG2-CD2 4.06Å; I9-V70 HydrophobicContact CD1-CG1 3.98Å; I9-V70 HydrophobicContact CG1-CG1 4.46Å; I9-L71 PolarHBondContact N-O 2.83Å; I9-L71 VanDerWaalsContact N-O 3.12Å; I9-L72 HydrophobicContact CB-CD2 4.32Å; I9-L72 HydrophobicContact CD1-CD2 3.91Å; I9-L72 HydrophobicContact CG1-CD2 4.37Å; I9-P73 WeakPolarHBondContact O-CD 3.19Å; I9-L82 HydrophobicContact CB-CD2 4.02Å; I9-L82 HydrophobicContact CG2-CD2 3.49Å; I9-L82 VanDerWaalsContact CG2-CD2 3.49Å; I9-V88 HydrophobicContact CD1-CG1 4.49Å; I9-V88 HydrophobicContact CD1-CG2 4.31Å; I9-V88 HydrophobicContact CG2-CG2 4.25Å; I9-V91 HydrophobicContact CD1-CG1 4.3Å |
| 10 | L | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.1 | -177.6 | 177.3 | 58.8 | 0 | 0 | 0 | 110.7 | V8 A14 T19 V35 A36 L38 V44 I52 | V8-L10 PolarHBondContact O-N 3.3Å; L10-A14 HydrophobicContact CD1-CB 3.96Å; L10-T19 HydrophobicContact CD1-CG2 4.01Å; L10-V35 HydrophobicContact CB-CG1 3.92Å; L10-V35 HydrophobicContact CD2-CG1 3.83Å; L10-A36 PolarHBondContact N-O 2.89Å; L10-L38 WeakPolarHBondContact O-CB 3.32Å; L10-L38 PolarHBondContact O-N 2.79Å; L10-V44 HydrophobicContact CD1-CB 4.47Å; L10-V44 HydrophobicContact CD1-CG1 4.18Å; L10-V44 HydrophobicContact CD2-CB 3.88Å; L10-V44 HydrophobicContact CD2-CG1 4.46Å; L10-V44 HydrophobicContact CD2-CG2 3.99Å; L10-V44 HydrophobicContact CG-CB 3.91Å; L10-V44 HydrophobicContact CG-CG1 3.98Å; L10-V44 HydrophobicContact CG-CG2 3.99Å; L10-I52 HydrophobicContact CD2-CB 3.86Å; L10-I52 HydrophobicContact CD2-CG2 3.65Å |
| 11 | S | 98.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | trans | -126.2 | 155.2 | 179.6 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | G13 A14 L38 V44 N81 | S11-G13 PolarHBondContact O-N 2.87Å; S11-A14 WeakPolarHBondContact O-CB 3.4Å; S11-A14 PolarHBondContact O-N 2.81Å; S11-L38 VanDerWaalsContact OG-CD2 3.27Å; S11-L38 WeakPolarHBondContact OG-CD2 3.33Å; S11-V44 VanDerWaalsContact C-CG1 3.43Å; S11-V44 WeakPolarHBondContact O-CG1 3.4Å; S11-N81 WeakPolarHBondContact OG-CB 3.28Å; S11-N81 PolarHBondContact OG-ND2 3.15Å | ||
| 12 | K | 98.8 | Very high | 97 | Very high | 141 Ų | 141 | 32.2 Ų | 32.2 | 61% | 0.613 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 128.4 | 176.5 | -177.4 | 176.6 | 178.8 | 176.2 | 0 | 110.6 | A14 V44 G78 N81 | K12-A14 VanDerWaalsContact C-N 3.3Å; K12-V44 HydrophobicContact CB-CG1 4.43Å; K12-G78 WeakPolarHBondContact O-CA 3.43Å; K12-G78 PolarHBondContact O-N 3.36Å; K12-N81 PolarHBondContact O-ND2 2.91Å |
| 13 | G | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 17.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S11 V45 G78 | S11-G13 PolarHBondContact O-N 2.87Å; G13-V45 PolarHBondContact N-O 3.4Å; G13-G78 PolarHBondContact O-N 3.4Å |
| 14 | A | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | trans | -57.7 | 150.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L10 S11 K12 E16 C46 S47 P73 G74 | L10-A14 HydrophobicContact CD1-CB 3.96Å; S11-A14 WeakPolarHBondContact O-CB 3.4Å; S11-A14 PolarHBondContact O-N 2.81Å; K12-A14 VanDerWaalsContact C-N 3.3Å; A14-E16 PolarHBondContact O-N 2.95Å; A14-C46 CarbonylContact O-C 3.58Å; A14-C46 WeakPolarHBondContact O-CA 3.3Å; A14-C46 WeakPolarHBondContact O-CB 3.48Å; A14-S47 WeakPolarHBondContact O-CB 3.45Å; A14-S47 PolarHBondContact O-N 2.71Å; A14-P73 HydrophobicContact CB-CB 4.44Å; A14-G74 WeakPolarHBondContact CA-O 3.49Å | ||
| 15 | E | 98.8 | Very high | 98.9 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | trans | -76 | 117.8 | 173 | -148.6 | -65.7 | 147.9 | 0 | 0 | 109.1 | M17 E18 T19 G74 P158 | E15-M17 PolarHBondContact O-N 2.68Å; E15-M17 WeakPolarHBondContact OE1-CE 3.13Å; E15-M17 VanDerWaalsContact OE2-CA 3.29Å; E15-M17 WeakPolarHBondContact OE2-CA 3.38Å; E15-M17 VanDerWaalsContact OE2-CB 3.23Å; E15-M17 WeakPolarHBondContact OE2-CB 3.31Å; E15-M17 PolarHBondContact OE2-N 3.23Å; E15-E18 HydrophobicContact CB-CB 4.07Å; E15-E18 HydrophobicContact CB-CG 4.07Å; E15-E18 HydrophobicContact CG-CG 4.26Å; E15-E18 PolarHBondContact O-N 3.28Å; E15-E18 WeakPolarHBondContact OE2-CG 2.73Å; E15-E18 PolarHBondContact OE2-N 3.49Å; E15-T19 PolarHBondContact O-N 3.25Å; E15-T19 PolarHBondContact O-OG1 3.12Å; E15-G74 PolarHBondContact N-O 3.46Å; E15-G74 VanDerWaalsContact N-O 3.16Å; E15-P158 HydrophobicContact CG-CG 4.14Å | ||
| 16 | E | 98.9 | Very high | 98.9 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.7 | -34 | -171.5 | 43.4 | -94.7 | -102.6 | 0 | 0 | 113.4 | A14 T19 V20 C46 S47 R48 V50 | A14-E16 PolarHBondContact O-N 2.95Å; E16-T19 PolarHBondContact O-N 3.26Å; E16-V20 WeakPolarHBondContact O-CB 3.07Å; E16-V20 VanDerWaalsContact O-CG2 3.25Å; E16-V20 WeakPolarHBondContact O-CG2 3.31Å; E16-V20 PolarHBondContact O-N 2.88Å; E16-C46 HydrophobicContact CB-CB 3.77Å; E16-C46 HydrophobicContact CG-CB 4.29Å; E16-S47 PolarHBondContact OE2-N 3.44Å; E16-S47 VanDerWaalsContact OE2-N 3.1Å; E16-S47 PolarHBondContact OE2-OG 3.27Å; E16-R48 VanDerWaalsContact OE1-C 3.24Å; E16-R48 WeakPolarHBondContact OE1-CA 2.95Å; E16-R48 WeakPolarHBondContact OE1-CB 3.42Å; E16-R48 PolarHBondContact OE1-N 3.49Å; E16-R48 PolarHBondContact OE2-N 2.85Å; E16-R48 VanDerWaalsContact OE2-N 3.09Å; E16-V50 HydrophobicContact CB-CB 4Å; E16-V50 HydrophobicContact CB-CG1 4.28Å; E16-V50 HydrophobicContact CB-CG2 4.36Å; E16-V50 HydrophobicContact CG-CB 3.99Å; E16-V50 HydrophobicContact CG-CG2 3.88Å; E16-V50 WeakPolarHBondContact OE1-CB 3.36Å; E16-V50 WeakPolarHBondContact OE1-CG2 3.4Å; E16-V50 PolarHBondContact OE1-N 3.39Å |
| 17 | M | 98.9 | Very high | 98.9 | Very high | 94 Ų | 94 | 26.9 Ų | 26.9 | 46% | 0.463 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -71 | -42.5 | 177 | -58.8 | -176.9 | -82.9 | 0 | 0 | 110.8 | E15 T19 V20 I21 P158 | E15-M17 PolarHBondContact O-N 2.68Å; E15-M17 WeakPolarHBondContact OE1-CE 3.13Å; E15-M17 VanDerWaalsContact OE2-CA 3.29Å; E15-M17 WeakPolarHBondContact OE2-CA 3.38Å; E15-M17 VanDerWaalsContact OE2-CB 3.23Å; E15-M17 WeakPolarHBondContact OE2-CB 3.31Å; E15-M17 PolarHBondContact OE2-N 3.23Å; M17-T19 PolarHBondContact O-N 2.95Å; M17-V20 PolarHBondContact O-N 3.31Å; M17-I21 HydrophobicContact CB-CD1 4.07Å; M17-I21 VanDerWaalsContact O-CB 3.25Å; M17-I21 WeakPolarHBondContact O-CB 3.3Å; M17-I21 WeakPolarHBondContact O-CD1 3.28Å; M17-I21 VanDerWaalsContact O-CG1 3.29Å; M17-I21 WeakPolarHBondContact O-CG1 3.46Å; M17-I21 PolarHBondContact O-N 3.03Å; M17-P158 HydrophobicContact CB-CB 4.3Å; M17-P158 HydrophobicContact CE-CB 3.52Å; M17-P158 HydrophobicContact CE-CG 3.89Å; M17-P158 HydrophobicContact SD-CB 4.26Å |
| 18 | E | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.2 | -16.3 | 174.6 | -64.4 | 171.5 | -165 | 0 | 0 | 113.1 | E15 P22 G74 I105 C106 P158 | E15-E18 HydrophobicContact CB-CB 4.07Å; E15-E18 HydrophobicContact CB-CG 4.07Å; E15-E18 HydrophobicContact CG-CG 4.26Å; E15-E18 PolarHBondContact O-N 3.28Å; E15-E18 WeakPolarHBondContact OE2-CG 2.73Å; E15-E18 PolarHBondContact OE2-N 3.49Å; E18-P22 WeakPolarHBondContact O-CD 3.33Å; E18-P22 VanDerWaalsContact O-CG 3.25Å; E18-P22 WeakPolarHBondContact O-CG 3.46Å; E18-G74 WeakPolarHBondContact OE2-CA 3.42Å; E18-G74 PolarHBondContact OE2-N 3.45Å; E18-I105 HydrophobicContact CB-CG2 3.82Å; E18-I105 HydrophobicContact CG-CD1 4.26Å; E18-I105 HydrophobicContact CG-CG1 4.36Å; E18-I105 HydrophobicContact CG-CG2 4.12Å; E18-C106 WeakPolarHBondContact OE1-CB 3.44Å; E18-C106 PolarHBondContact OE1-SG 2.92Å; E18-C106 WeakPolarHBondContact OE2-CB 3.42Å; E18-P158 HydrophobicContact CG-CB 4.49Å; E18-P158 HydrophobicContact CG-CG 4.17Å; E18-P158 WeakPolarHBondContact OE1-CD 3.15Å; E18-P158 WeakPolarHBondContact OE1-CG 3.5Å |
| 19 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -89 | -54.9 | 171.5 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | V8 L10 E15 E16 M17 P22 V23 I52 P73 | V8-T19 HydrophobicContact CG1-CG2 4.4Å; L10-T19 HydrophobicContact CD1-CG2 4.01Å; E15-T19 PolarHBondContact O-N 3.25Å; E15-T19 PolarHBondContact O-OG1 3.12Å; E16-T19 PolarHBondContact O-N 3.26Å; M17-T19 PolarHBondContact O-N 2.95Å; T19-P22 WeakPolarHBondContact O-CD 3.29Å; T19-V23 WeakPolarHBondContact O-CG2 3.49Å; T19-V23 PolarHBondContact O-N 2.88Å; T19-I52 HydrophobicContact CG2-CD1 4.19Å; T19-P73 HydrophobicContact CG2-CG 4.45Å; T19-P73 WeakPolarHBondContact OG1-CB 3.3Å |
| 20 | V | 98.9 | Very high | 98.8 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 44% | 0.436 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -72 | -42 | -170.3 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | E16 M17 V23 D24 I52 | E16-V20 WeakPolarHBondContact O-CB 3.07Å; E16-V20 VanDerWaalsContact O-CG2 3.25Å; E16-V20 WeakPolarHBondContact O-CG2 3.31Å; E16-V20 PolarHBondContact O-N 2.88Å; M17-V20 PolarHBondContact O-N 3.31Å; V20-V23 PolarHBondContact O-N 3.42Å; V20-D24 WeakPolarHBondContact O-CB 3.43Å; V20-D24 PolarHBondContact O-N 2.88Å; V20-I52 HydrophobicContact CG2-CD1 3.75Å |
| 21 | I | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 14% | 0.138 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -52.9 | -178.3 | -66.1 | 164.5 | 0 | 0 | 0 | 110.5 | M17 V23 D24 I25 F162 | M17-I21 HydrophobicContact CB-CD1 4.07Å; M17-I21 VanDerWaalsContact O-CB 3.25Å; M17-I21 WeakPolarHBondContact O-CB 3.3Å; M17-I21 WeakPolarHBondContact O-CD1 3.28Å; M17-I21 VanDerWaalsContact O-CG1 3.29Å; M17-I21 WeakPolarHBondContact O-CG1 3.46Å; M17-I21 PolarHBondContact O-N 3.03Å; I21-V23 PolarHBondContact O-N 3.28Å; I21-D24 PolarHBondContact O-N 3.48Å; I21-I25 HydrophobicContact CG2-CG1 4.19Å; I21-I25 WeakPolarHBondContact O-CB 3.41Å; I21-I25 VanDerWaalsContact O-CG1 3.26Å; I21-I25 WeakPolarHBondContact O-CG1 3.3Å; I21-I25 PolarHBondContact O-N 3.39Å; I21-F162 HydrophobicContact CD1-CD2 4.2Å; I21-F162 HydrophobicContact CD1-CE2 3.75Å; I21-F162 HydrophobicContact CD1-CZ 4.15Å; I21-F162 HydrophobicContact CG1-CE2 4.23Å; I21-F162 HydrophobicContact CG1-CZ 4.12Å; I21-F162 HydrophobicContact CG2-CD1 3.68Å; I21-F162 HydrophobicContact CG2-CD2 4.12Å; I21-F162 HydrophobicContact CG2-CE1 3.81Å; I21-F162 HydrophobicContact CG2-CE2 4.24Å; I21-F162 HydrophobicContact CG2-CG 3.84Å; I21-F162 HydrophobicContact CG2-CZ 4.09Å |
| 22 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 178.1 | -25 | 37.3 | 0 | 0 | 0 | 113.9 | E18 T19 M26 L71 F164 A165 | E18-P22 WeakPolarHBondContact O-CD 3.33Å; E18-P22 VanDerWaalsContact O-CG 3.25Å; E18-P22 WeakPolarHBondContact O-CG 3.46Å; T19-P22 WeakPolarHBondContact O-CD 3.29Å; P22-M26 HydrophobicContact CB-CE 4.24Å; P22-M26 VanDerWaalsContact O-CB 3.26Å; P22-M26 WeakPolarHBondContact O-CB 3.43Å; P22-M26 WeakPolarHBondContact O-CE 3.41Å; P22-M26 VanDerWaalsContact O-CG 3.23Å; P22-M26 WeakPolarHBondContact O-CG 3.41Å; P22-M26 PolarHBondContact O-N 3.29Å; P22-L71 HydrophobicContact CB-CD1 3.49Å; P22-L71 VanDerWaalsContact CB-CD1 3.49Å; P22-L71 HydrophobicContact CG-CD1 4.2Å; P22-F164 HydrophobicContact CG-CD1 4.02Å; P22-F164 HydrophobicContact CG-CE1 4.16Å; P22-A165 HydrophobicContact CB-CB 4.1Å; P22-A165 HydrophobicContact CG-CB 4.35Å |
| 23 | V | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 111 | V8 T19 V20 I21 R27 V33 V35 | V8-V23 HydrophobicContact CB-CG2 4.22Å; V8-V23 HydrophobicContact CG1-CG2 4.14Å; V8-V23 HydrophobicContact CG2-CG2 3.82Å; T19-V23 WeakPolarHBondContact O-CG2 3.49Å; T19-V23 PolarHBondContact O-N 2.88Å; V20-V23 PolarHBondContact O-N 3.42Å; I21-V23 PolarHBondContact O-N 3.28Å; V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.23Å; V23-R27 PolarHBondContact O-N 3.46Å; V23-V33 HydrophobicContact CB-CG1 4.44Å; V23-V33 HydrophobicContact CG1-CG1 4.16Å; V23-V33 HydrophobicContact CG2-CG1 4.1Å; V23-V35 HydrophobicContact CG1-CG2 4.01Å; V23-V35 HydrophobicContact CG2-CG2 3.7Å |
| 24 | D | 98.9 | Very high | 98.8 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.6 | -50.4 | -179.7 | -177.6 | -70.2 | 0 | 0 | 0 | 111.1 | V20 I21 M26 R27 R28 | V20-D24 WeakPolarHBondContact O-CB 3.43Å; V20-D24 PolarHBondContact O-N 2.88Å; I21-D24 PolarHBondContact O-N 3.48Å; D24-M26 PolarHBondContact O-N 3.29Å; D24-R27 PolarHBondContact O-N 3.42Å; D24-R28 WeakPolarHBondContact O-CG 3.48Å; D24-R28 PolarHBondContact O-N 2.82Å; D24-R28 WeakPolarHBondContact OD1-CD 3.46Å; D24-R28 IonicContact OD1-CZ 2.82Å; D24-R28 IonicContact OD1-NE 3.84Å; D24-R28 PolarHBondContact OD1-NE 3.33Å; D24-R28 IonicContact OD1-NH2 3.53Å; D24-R28 IonicContact OD2-NH2 3.98Å |
| 25 | I | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | -178.7 | -65.1 | -50.4 | 0 | 0 | 0 | 112.1 | I21 R28 A29 F162 A165 L166 V169 V181 L185 | I21-I25 HydrophobicContact CG2-CG1 4.19Å; I21-I25 WeakPolarHBondContact O-CB 3.41Å; I21-I25 VanDerWaalsContact O-CG1 3.26Å; I21-I25 WeakPolarHBondContact O-CG1 3.3Å; I21-I25 PolarHBondContact O-N 3.39Å; I25-R28 WeakPolarHBondContact O-CB 3.26Å; I25-R28 PolarHBondContact O-N 2.79Å; I25-A29 PolarHBondContact O-N 2.82Å; I25-A29 VanDerWaalsContact O-N 3.14Å; I25-F162 HydrophobicContact CD1-CD1 4.19Å; I25-F162 HydrophobicContact CD1-CE1 4.24Å; I25-F162 HydrophobicContact CG1-CD1 4.2Å; I25-F162 HydrophobicContact CG1-CE1 4.48Å; I25-A165 HydrophobicContact CB-CB 3.73Å; I25-A165 HydrophobicContact CG1-CB 4.12Å; I25-A165 HydrophobicContact CG2-CB 3.69Å; I25-L166 HydrophobicContact CG2-CD2 4.04Å; I25-L166 HydrophobicContact CG2-CG 4.35Å; I25-V169 HydrophobicContact CG2-CG2 3.98Å; I25-V181 HydrophobicContact CG2-CG1 4.01Å; I25-L185 HydrophobicContact CD1-CD1 3.45Å; I25-L185 VanDerWaalsContact CD1-CD1 3.45Å; I25-L185 HydrophobicContact CD1-CD2 3.56Å; I25-L185 HydrophobicContact CD1-CG 4.15Å |
| 26 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 175.2 | -73.2 | -172.8 | -65.8 | 0 | 0 | 111.6 | A6 V8 P22 D24 A29 G30 I31 V33 V69 L71 I168 V169 | A6-M26 HydrophobicContact CB-CE 4.02Å; A6-M26 HydrophobicContact CB-SD 3.69Å; V8-M26 HydrophobicContact CG2-CE 3.75Å; P22-M26 HydrophobicContact CB-CE 4.24Å; P22-M26 VanDerWaalsContact O-CB 3.26Å; P22-M26 WeakPolarHBondContact O-CB 3.43Å; P22-M26 WeakPolarHBondContact O-CE 3.41Å; P22-M26 VanDerWaalsContact O-CG 3.23Å; P22-M26 WeakPolarHBondContact O-CG 3.41Å; P22-M26 PolarHBondContact O-N 3.29Å; D24-M26 PolarHBondContact O-N 3.29Å; M26-A29 WeakPolarHBondContact O-CB 3.34Å; M26-A29 PolarHBondContact O-N 3.07Å; M26-A29 VanDerWaalsContact O-N 3.14Å; M26-G30 PolarHBondContact O-N 2.74Å; M26-I31 HydrophobicContact CB-CB 4.16Å; M26-I31 HydrophobicContact CB-CD1 4.01Å; M26-I31 HydrophobicContact CB-CG2 4.48Å; M26-I31 HydrophobicContact CG-CD1 4.03Å; M26-I31 VanDerWaalsContact O-CB 3.3Å; M26-I31 WeakPolarHBondContact O-CB 3.5Å; M26-I31 PolarHBondContact O-N 2.97Å; M26-V33 HydrophobicContact CB-CG2 3.54Å; M26-V33 HydrophobicContact CE-CG1 4.2Å; M26-V33 HydrophobicContact CE-CG2 4.18Å; M26-V69 HydrophobicContact SD-CG1 4.22Å; M26-L71 HydrophobicContact CE-CD1 3.87Å; M26-I168 HydrophobicContact CG-CG2 4.39Å; M26-I168 HydrophobicContact SD-CG2 3.9Å; M26-V169 HydrophobicContact CG-CG2 4.45Å |
| 27 | R | 98.9 | Very high | 98.8 | Very high | 116 Ų | 116 | 33.5 Ų | 33.5 | 44% | 0.438 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 175.1 | -75.8 | 174.9 | 174.7 | 169.9 | -0.8 | 112 | V23 D24 A29 G30 V33 D55 | V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.23Å; V23-R27 PolarHBondContact O-N 3.46Å; D24-R27 PolarHBondContact O-N 3.42Å; R27-A29 PolarHBondContact O-N 3.46Å; R27-G30 PolarHBondContact O-N 2.68Å; R27-V33 HydrophobicContact CG-CB 3.98Å; R27-V33 HydrophobicContact CG-CG2 3.73Å; R27-V33 PolarHBondContact NH2-O 3.02Å; R27-D55 IonicContact NH2-OD1 3.58Å; R27-D55 IonicContact NH2-OD2 2.95Å; R27-D55 PolarHBondContact NH2-OD2 3.09Å |
| 28 | R | 98.8 | Very high | 98.8 | Very high | 137 Ų | 137 | 30.3 Ų | 30.3 | 52% | 0.517 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.3 | -32.4 | 172.8 | -72.5 | 178.6 | -173.7 | -87.6 | -10.5 | 112.8 | D24 I25 G30 V181 | D24-R28 WeakPolarHBondContact O-CG 3.48Å; D24-R28 PolarHBondContact O-N 2.82Å; D24-R28 WeakPolarHBondContact OD1-CD 3.46Å; D24-R28 IonicContact OD1-CZ 2.82Å; D24-R28 IonicContact OD1-NE 3.84Å; D24-R28 PolarHBondContact OD1-NE 3.33Å; D24-R28 IonicContact OD1-NH2 3.53Å; D24-R28 IonicContact OD2-NH2 3.98Å; I25-R28 WeakPolarHBondContact O-CB 3.26Å; I25-R28 PolarHBondContact O-N 2.79Å; R28-G30 PolarHBondContact O-N 2.99Å; R28-V181 HydrophobicContact CB-CG1 3.91Å; R28-V181 HydrophobicContact CB-CG2 4.35Å |
| 29 | A | 98.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | I25 M26 R27 I31 V169 M173 V177 V181 | I25-A29 PolarHBondContact O-N 2.82Å; I25-A29 VanDerWaalsContact O-N 3.14Å; M26-A29 WeakPolarHBondContact O-CB 3.34Å; M26-A29 PolarHBondContact O-N 3.07Å; M26-A29 VanDerWaalsContact O-N 3.14Å; R27-A29 PolarHBondContact O-N 3.46Å; A29-I31 VanDerWaalsContact C-N 3.33Å; A29-I31 HydrophobicContact CB-CD1 4.26Å; A29-I31 HydrophobicContact CB-CG1 4.31Å; A29-V169 HydrophobicContact CB-CB 4.23Å; A29-V169 HydrophobicContact CB-CG1 3.51Å; A29-V169 HydrophobicContact CB-CG2 3.64Å; A29-M173 HydrophobicContact CB-CG 4.37Å; A29-V177 HydrophobicContact CB-CG1 4.09Å; A29-V181 HydrophobicContact CB-CG2 3.94Å |
| 30 | G | 98.2 | Very high | 98.7 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 57% | 0.567 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 13.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M26 R27 R28 | M26-G30 PolarHBondContact O-N 2.74Å; R27-G30 PolarHBondContact O-N 2.68Å; R28-G30 PolarHBondContact O-N 2.99Å |
| 31 | I | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -76.2 | 131.3 | 173.3 | -59 | 167.3 | 0 | 0 | 0 | 108.3 | K4 A6 M26 A29 V33 V169 L172 M173 | K4-I31 HydrophobicContact CB-CG1 4.2Å; K4-I31 HydrophobicContact CB-CG2 4.41Å; K4-I31 WeakPolarHBondContact O-CA 3.19Å; K4-I31 WeakPolarHBondContact O-CG2 3.48Å; A6-I31 HydrophobicContact CB-CG2 3.78Å; M26-I31 HydrophobicContact CB-CB 4.16Å; M26-I31 HydrophobicContact CB-CD1 4.01Å; M26-I31 HydrophobicContact CB-CG2 4.48Å; M26-I31 HydrophobicContact CG-CD1 4.03Å; M26-I31 VanDerWaalsContact O-CB 3.3Å; M26-I31 WeakPolarHBondContact O-CB 3.5Å; M26-I31 PolarHBondContact O-N 2.97Å; A29-I31 VanDerWaalsContact C-N 3.33Å; A29-I31 HydrophobicContact CB-CD1 4.26Å; A29-I31 HydrophobicContact CB-CG1 4.31Å; I31-V33 HydrophobicContact CG2-CG2 4.26Å; I31-V33 PolarHBondContact O-N 3.44Å; I31-V33 VanDerWaalsContact O-N 3.15Å; I31-V169 HydrophobicContact CD1-CG2 4.24Å; I31-L172 HydrophobicContact CD1-CB 4.38Å; I31-L172 HydrophobicContact CD1-CD1 4.07Å; I31-M173 HydrophobicContact CD1-CG 4.03Å; I31-M173 HydrophobicContact CG1-CG 3.93Å; I31-M173 HydrophobicContact CG1-SD 4.02Å | ||
| 32 | A | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 100.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K4 R5 A6 | K4-A32 PolarHBondContact O-N 3.38Å; R5-A32 CarbonylContact C-O 3.58Å; R5-A32 VanDerWaalsContact CA-O 3.3Å; R5-A32 WeakPolarHBondContact CA-O 3.27Å; R5-A32 HydrophobicContact CG-CB 4.24Å; A6-A32 PolarHBondContact N-O 3.17Å |
| 33 | V | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.7 | -176.6 | -174.7 | 0 | 0 | 0 | 0 | 111 | A6 V8 V23 M26 R27 I31 | A6-V33 HydrophobicContact CB-CG1 4.41Å; A6-V33 HydrophobicContact CB-CG2 4.15Å; A6-V33 WeakPolarHBondContact O-CA 3.5Å; V8-V33 HydrophobicContact CG2-CG1 3.79Å; V23-V33 HydrophobicContact CB-CG1 4.44Å; V23-V33 HydrophobicContact CG1-CG1 4.16Å; V23-V33 HydrophobicContact CG2-CG1 4.1Å; M26-V33 HydrophobicContact CB-CG2 3.54Å; M26-V33 HydrophobicContact CE-CG1 4.2Å; M26-V33 HydrophobicContact CE-CG2 4.18Å; R27-V33 HydrophobicContact CG-CB 3.98Å; R27-V33 HydrophobicContact CG-CG2 3.73Å; R27-V33 PolarHBondContact NH2-O 3.02Å; I31-V33 HydrophobicContact CG2-CG2 4.26Å; I31-V33 PolarHBondContact O-N 3.44Å; I31-V33 VanDerWaalsContact O-N 3.15Å |
| 34 | T | 98.9 | Very high | 98.6 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.2 | 167.6 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | A6 L7 V8 A56 A61 | A6-T34 PolarHBondContact O-N 3.14Å; L7-T34 HydrophobicContact CD1-CG2 4.4Å; V8-T34 PolarHBondContact N-O 2.92Å; T34-A56 HydrophobicContact CG2-CB 4.47Å; T34-A61 HydrophobicContact CG2-CB 3.88Å |
| 35 | V | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 107.6 | 167.6 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | L10 V23 P54 D55 A56 | L10-V35 HydrophobicContact CB-CG1 3.92Å; L10-V35 HydrophobicContact CD2-CG1 3.83Å; V23-V35 HydrophobicContact CG1-CG2 4.01Å; V23-V35 HydrophobicContact CG2-CG2 3.7Å; V35-P54 HydrophobicContact CG1-CB 4.48Å; V35-P54 CarbonylContact O-C 3.58Å; V35-P54 WeakPolarHBondContact O-CB 3.43Å; V35-D55 WeakPolarHBondContact CB-OD2 3.32Å; V35-D55 PolarHBondContact N-OD2 2.89Å; V35-D55 PolarHBondContact O-N 2.92Å; V35-A56 PolarHBondContact O-N 2.86Å |
| 36 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L7 V8 L10 L38 A56 L58 A61 | L7-A36 HydrophobicContact CD1-CB 3.54Å; V8-A36 PolarHBondContact O-N 3.06Å; L10-A36 PolarHBondContact N-O 2.89Å; A36-L38 PolarHBondContact O-N 2.8Å; A36-A56 CarbonylContact C-O 3.57Å; A36-A56 WeakPolarHBondContact CA-O 3.32Å; A36-L58 HydrophobicContact CB-CB 4.44Å; A36-L58 HydrophobicContact CB-CD1 4.23Å; A36-A61 HydrophobicContact CB-CB 3.72Å |
| 37 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 123.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T39 G40 A56 L58 | G37-T39 VanDerWaalsContact C-N 3.26Å; G37-T39 PolarHBondContact O-N 2.89Å; G37-G40 CarbonylContact C-O 3.56Å; G37-G40 WeakPolarHBondContact CA-O 3.34Å; G37-G40 PolarHBondContact O-N 2.67Å; G37-A56 PolarHBondContact N-O 2.91Å; G37-L58 PolarHBondContact O-N 2.78Å |
| 38 | L | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -40.2 | -176.6 | 179.3 | 62.9 | 0 | 0 | 0 | 112.5 | I9 L10 S11 A36 L58 N81 L82 V88 | I9-L38 HydrophobicContact CG2-CB 4.41Å; I9-L38 HydrophobicContact CG2-CD1 4.2Å; L10-L38 WeakPolarHBondContact O-CB 3.32Å; L10-L38 PolarHBondContact O-N 2.79Å; S11-L38 VanDerWaalsContact OG-CD2 3.27Å; S11-L38 WeakPolarHBondContact OG-CD2 3.33Å; A36-L38 PolarHBondContact O-N 2.8Å; L38-L58 HydrophobicContact CD1-CD2 3.7Å; L38-N81 HydrophobicContact CD2-CB 3.88Å; L38-L82 HydrophobicContact CD2-CD2 4.33Å; L38-V88 HydrophobicContact CD1-CG2 3.53Å |
| 39 | T | 97.4 | Very high | 98.6 | Very high | 125 Ų | 125 | 50.6 Ų | 50.6 | 77% | 0.767 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 2.5 | -173.9 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | G37 | G37-T39 VanDerWaalsContact C-N 3.26Å; G37-T39 PolarHBondContact O-N 2.89Å |
| 40 | G | 98 | Very high | 98.6 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | trans | 142.6 | -160.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G37 | G37-G40 CarbonylContact C-O 3.56Å; G37-G40 WeakPolarHBondContact CA-O 3.34Å; G37-G40 PolarHBondContact O-N 2.67Å | ||
| 41 | K | 97.8 | Very high | 98.6 | Very high | 113 Ų | 113 | 54.9 Ų | 54.9 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -92.3 | -8.5 | -179.8 | -64.5 | -174.9 | -179.5 | -176.8 | 0 | 114.4 | E60 | K41-E60 WeakPolarHBondContact CE-OE1 3.27Å; K41-E60 WeakPolarHBondContact CE-OE2 3.45Å; K41-E60 IonicContact NZ-OE1 3.79Å; K41-E60 PolarHBondContact NZ-OE1 3.28Å; K41-E60 IonicContact NZ-OE2 3.69Å; K41-E60 PolarHBondContact NZ-OE2 3.09Å |
| 42 | E | 98.4 | Very high | 98.6 | Very high | 149 Ų | 149 | 56 Ų | 56 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -64.3 | 150 | -177.5 | -65.5 | -55.4 | 139.3 | 0 | 0 | 111.5 | V44 P54 | E42-V44 PolarHBondContact O-N 2.98Å; E42-P54 WeakPolarHBondContact O-CD 3.45Å |
| 43 | P | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 136.2 | 174.9 | -22.8 | 32.5 | 0 | 0 | 0 | 112.1 | V51 | P43-V51 HydrophobicContact CB-CG1 3.49Å; P43-V51 VanDerWaalsContact CB-CG1 3.49Å |
| 44 | V | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.9 | -176.1 | -179.4 | 0 | 0 | 0 | 0 | 110 | L10 S11 K12 E42 C46 V51 I52 | L10-V44 HydrophobicContact CD1-CB 4.47Å; L10-V44 HydrophobicContact CD1-CG1 4.18Å; L10-V44 HydrophobicContact CD2-CB 3.88Å; L10-V44 HydrophobicContact CD2-CG1 4.46Å; L10-V44 HydrophobicContact CD2-CG2 3.99Å; L10-V44 HydrophobicContact CG-CB 3.91Å; L10-V44 HydrophobicContact CG-CG1 3.98Å; L10-V44 HydrophobicContact CG-CG2 3.99Å; S11-V44 VanDerWaalsContact C-CG1 3.43Å; S11-V44 WeakPolarHBondContact O-CG1 3.4Å; K12-V44 HydrophobicContact CB-CG1 4.43Å; E42-V44 PolarHBondContact O-N 2.98Å; V44-C46 PolarHBondContact O-N 3.22Å; V44-V51 WeakPolarHBondContact O-CA 3.46Å; V44-I52 PolarHBondContact N-O 3.31Å; V44-I52 PolarHBondContact O-N 3.22Å |
| 45 | V | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.8 | 172.2 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | G13 V51 | G13-V45 PolarHBondContact N-O 3.4Å; V45-V51 HydrophobicContact CG2-CG2 4.26Å |
| 46 | C | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | trans | -82 | -179.6 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | A14 E16 V44 R48 S49 V50 | A14-C46 CarbonylContact O-C 3.58Å; A14-C46 WeakPolarHBondContact O-CA 3.3Å; A14-C46 WeakPolarHBondContact O-CB 3.48Å; E16-C46 HydrophobicContact CB-CB 3.77Å; E16-C46 HydrophobicContact CG-CB 4.29Å; V44-C46 PolarHBondContact O-N 3.22Å; C46-R48 VanDerWaalsContact C-N 3.35Å; C46-R48 PolarHBondContact O-N 3.07Å; C46-S49 PolarHBondContact O-N 2.79Å; C46-V50 HydrophobicContact CB-CB 4.37Å; C46-V50 VanDerWaalsContact CB-O 3.24Å; C46-V50 WeakPolarHBondContact CB-O 3.48Å; C46-V50 PolarHBondContact N-O 2.92Å; C46-V50 PolarHBondContact SG-O 3.26Å | ||
| 47 | S | 98.4 | Very high | 98.6 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.6 | -169 | 75.4 | 0 | 0 | 0 | 0 | 114.5 | A14 E16 | A14-S47 WeakPolarHBondContact O-CB 3.45Å; A14-S47 PolarHBondContact O-N 2.71Å; E16-S47 PolarHBondContact OE2-N 3.44Å; E16-S47 VanDerWaalsContact OE2-N 3.1Å; E16-S47 PolarHBondContact OE2-OG 3.27Å |
| 48 | R | 98.6 | Very high | 98.6 | Very high | 176 Ų | 176 | 61.7 Ų | 61.7 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 32.2 | 175.9 | -79.3 | 66.2 | 180 | 171.5 | 1.5 | 110.8 | E16 C46 V50 | E16-R48 VanDerWaalsContact OE1-C 3.24Å; E16-R48 WeakPolarHBondContact OE1-CA 2.95Å; E16-R48 WeakPolarHBondContact OE1-CB 3.42Å; E16-R48 PolarHBondContact OE1-N 3.49Å; E16-R48 PolarHBondContact OE2-N 2.85Å; E16-R48 VanDerWaalsContact OE2-N 3.09Å; C46-R48 VanDerWaalsContact C-N 3.35Å; C46-R48 PolarHBondContact O-N 3.07Å; R48-V50 PolarHBondContact O-N 2.87Å |
| 49 | S | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 66.7 Ų | 66.7 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 68.1 | 8.5 | 173.2 | -50.5 | 0 | 0 | 0 | 0 | 115.5 | C46 | C46-S49 PolarHBondContact O-N 2.79Š|
| 50 | V | 98.9 | Very high | 98.6 | Very high | 69 Ų | 69 | 64.3 Ų | 64.3 | 42% | 0.418 | 35% | 0.35 | S | S | . | . | trans | -63 | 137.4 | 165.5 | 175.9 | 0 | 0 | 0 | 0 | 109 | E16 C46 R48 I52 | E16-V50 HydrophobicContact CB-CB 4Å; E16-V50 HydrophobicContact CB-CG1 4.28Å; E16-V50 HydrophobicContact CB-CG2 4.36Å; E16-V50 HydrophobicContact CG-CB 3.99Å; E16-V50 HydrophobicContact CG-CG2 3.88Å; E16-V50 WeakPolarHBondContact OE1-CB 3.36Å; E16-V50 WeakPolarHBondContact OE1-CG2 3.4Å; E16-V50 PolarHBondContact OE1-N 3.39Å; C46-V50 HydrophobicContact CB-CB 4.37Å; C46-V50 VanDerWaalsContact CB-O 3.24Å; C46-V50 WeakPolarHBondContact CB-O 3.48Å; C46-V50 PolarHBondContact N-O 2.92Å; C46-V50 PolarHBondContact SG-O 3.26Å; R48-V50 PolarHBondContact O-N 2.87Å; V50-I52 HydrophobicContact CG1-CG1 4.15Å | ||
| 51 | V | 98.9 | Very high | 98.6 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.1 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | P43 V44 V45 | P43-V51 HydrophobicContact CB-CG1 3.49Å; P43-V51 VanDerWaalsContact CB-CG1 3.49Å; V44-V51 WeakPolarHBondContact O-CA 3.46Å; V45-V51 HydrophobicContact CG2-CG2 4.26Å |
| 52 | I | 98.9 | Very high | 98.5 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.7 | -179.4 | -59.7 | 177.3 | 0 | 0 | 0 | 108.8 | L10 T19 V20 V44 V50 | L10-I52 HydrophobicContact CD2-CB 3.86Å; L10-I52 HydrophobicContact CD2-CG2 3.65Å; T19-I52 HydrophobicContact CG2-CD1 4.19Å; V20-I52 HydrophobicContact CG2-CD1 3.75Å; V44-I52 PolarHBondContact N-O 3.31Å; V44-I52 PolarHBondContact O-N 3.22Å; V50-I52 HydrophobicContact CG1-CG1 4.15Å |
| 53 | C | 98.9 | Very high | 98.5 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | trans | -80.4 | 120.4 | 169.9 | -60.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 54 | P | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | trans | -70.4 | 155.3 | 174.1 | 31.6 | -34.9 | 0 | 0 | 0 | 111 | V35 E42 | V35-P54 HydrophobicContact CG1-CB 4.48Å; V35-P54 CarbonylContact O-C 3.58Å; V35-P54 WeakPolarHBondContact O-CB 3.43Å; E42-P54 WeakPolarHBondContact O-CD 3.45Å | ||
| 55 | D | 98.8 | Very high | 97.9 | Very high | 91 Ų | 91 | 64.3 Ų | 64.3 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -71.5 | -34 | 175.8 | -57.8 | -44.5 | 0 | 0 | 0 | 111.1 | R27 V35 | R27-D55 IonicContact NH2-OD1 3.58Å; R27-D55 IonicContact NH2-OD2 2.95Å; R27-D55 PolarHBondContact NH2-OD2 3.09Å; V35-D55 WeakPolarHBondContact CB-OD2 3.32Å; V35-D55 PolarHBondContact N-OD2 2.89Å; V35-D55 PolarHBondContact O-N 2.92Å |
| 56 | A | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T34 V35 A36 G37 A61 | T34-A56 HydrophobicContact CG2-CB 4.47Å; V35-A56 PolarHBondContact O-N 2.86Å; A36-A56 CarbonylContact C-O 3.57Å; A36-A56 WeakPolarHBondContact CA-O 3.32Å; G37-A56 PolarHBondContact N-O 2.91Å; A56-A61 HydrophobicContact CB-CB 4.44Å |
| 57 | S | 98.8 | Very high | 97.7 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 156.7 | 165 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | E59 E60 A61 | S57-E59 PolarHBondContact O-N 2.57Å; S57-E60 PolarHBondContact O-N 2.83Å; S57-E60 WeakPolarHBondContact OG-CG 3.46Å; S57-E60 PolarHBondContact OG-N 3.29Å; S57-A61 WeakPolarHBondContact O-CB 3.45Å; S57-A61 PolarHBondContact O-N 2.94Å |
| 58 | L | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.8 | -33 | 172.4 | -176.8 | 61.2 | 0 | 0 | 0 | 112.5 | L7 I9 A36 G37 L38 S62 A87 V88 V91 | L7-L58 HydrophobicContact CD2-CD1 4.17Å; I9-L58 HydrophobicContact CD1-CD1 4.04Å; I9-L58 HydrophobicContact CD1-CD2 4.49Å; I9-L58 HydrophobicContact CG1-CD1 4.02Å; I9-L58 HydrophobicContact CG2-CD1 4.36Å; I9-L58 HydrophobicContact CG2-CD2 4.06Å; A36-L58 HydrophobicContact CB-CB 4.44Å; A36-L58 HydrophobicContact CB-CD1 4.23Å; G37-L58 PolarHBondContact O-N 2.78Å; L38-L58 HydrophobicContact CD1-CD2 3.7Å; L58-S62 VanDerWaalsContact O-CB 3.27Å; L58-S62 WeakPolarHBondContact O-CB 3.29Å; L58-S62 PolarHBondContact O-N 3.18Å; L58-S62 PolarHBondContact O-OG 3.15Å; L58-A87 HydrophobicContact CD2-CB 4.04Å; L58-V88 HydrophobicContact CD2-CG2 4.03Å; L58-V91 HydrophobicContact CD1-CG2 4.35Å |
| 59 | E | 98.2 | Very high | 97.7 | Very high | 132 Ų | 132 | 57.4 Ų | 57.4 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 177.9 | -162.8 | -154 | 139.1 | 0 | 0 | 112.1 | S57 S62 K63 | S57-E59 PolarHBondContact O-N 2.57Å; E59-S62 PolarHBondContact O-OG 2.96Å; E59-K63 WeakPolarHBondContact O-CD 3.43Å; E59-K63 VanDerWaalsContact O-CE 3.27Å; E59-K63 WeakPolarHBondContact O-CE 3.4Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 IonicContact OE1-NZ 3.51Å; E59-K63 PolarHBondContact OE1-NZ 3.14Å |
| 60 | E | 98.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 53 Ų | 53 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.1 | -48.9 | 176.3 | -69.8 | 173.4 | 175.3 | 0 | 0 | 110.9 | K41 S57 S62 K63 | K41-E60 WeakPolarHBondContact CE-OE1 3.27Å; K41-E60 WeakPolarHBondContact CE-OE2 3.45Å; K41-E60 IonicContact NZ-OE1 3.79Å; K41-E60 PolarHBondContact NZ-OE1 3.28Å; K41-E60 IonicContact NZ-OE2 3.69Å; K41-E60 PolarHBondContact NZ-OE2 3.09Å; S57-E60 PolarHBondContact O-N 2.83Å; S57-E60 WeakPolarHBondContact OG-CG 3.46Å; S57-E60 PolarHBondContact OG-N 3.29Å; E60-S62 VanDerWaalsContact C-N 3.25Å; E60-S62 PolarHBondContact O-N 3.19Å; E60-K63 WeakPolarHBondContact O-CB 3.41Å; E60-K63 PolarHBondContact O-N 3.2Å; E60-K63 VanDerWaalsContact O-N 3.07Å |
| 61 | A | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -35.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 T34 A36 A56 S57 K63 E64 Y67 | L7-A61 HydrophobicContact CD1-CB 3.82Å; T34-A61 HydrophobicContact CG2-CB 3.88Å; A36-A61 HydrophobicContact CB-CB 3.72Å; A56-A61 HydrophobicContact CB-CB 4.44Å; S57-A61 WeakPolarHBondContact O-CB 3.45Å; S57-A61 PolarHBondContact O-N 2.94Å; A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 3.27Å; A61-E64 PolarHBondContact O-N 3.47Å; A61-Y67 WeakPolarHBondContact O-CE2 3.33Å; A61-Y67 PolarHBondContact O-OH 2.84Å |
| 62 | S | 96.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -28.5 | 179.2 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | L58 E59 E60 E64 G65 | L58-S62 VanDerWaalsContact O-CB 3.27Å; L58-S62 WeakPolarHBondContact O-CB 3.29Å; L58-S62 PolarHBondContact O-N 3.18Å; L58-S62 PolarHBondContact O-OG 3.15Å; E59-S62 PolarHBondContact O-OG 2.96Å; E60-S62 VanDerWaalsContact C-N 3.25Å; E60-S62 PolarHBondContact O-N 3.19Å; S62-E64 VanDerWaalsContact C-N 3.33Å; S62-G65 PolarHBondContact O-N 2.87Å |
| 63 | K | 96.6 | Very high | 97.7 | Very high | 138 Ų | 138 | 44.3 Ų | 44.3 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -74.3 | -25.4 | 177 | -62.5 | 167.4 | -169.9 | 166 | 0 | 112.5 | E59 E60 A61 G65 | E59-K63 WeakPolarHBondContact O-CD 3.43Å; E59-K63 VanDerWaalsContact O-CE 3.27Å; E59-K63 WeakPolarHBondContact O-CE 3.4Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 IonicContact OE1-NZ 3.51Å; E59-K63 PolarHBondContact OE1-NZ 3.14Å; E60-K63 WeakPolarHBondContact O-CB 3.41Å; E60-K63 PolarHBondContact O-N 3.2Å; E60-K63 VanDerWaalsContact O-N 3.07Å; A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 3.27Å; K63-G65 VanDerWaalsContact C-N 3.26Å; K63-G65 PolarHBondContact O-N 3.3Å |
| 64 | E | 95.6 | Very high | 97.7 | Very high | 126 Ų | 126 | 40 Ų | 40 | 59% | 0.589 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.1 | 178.6 | -61.2 | -59.9 | 143.9 | 0 | 0 | 113.3 | R5 A61 S62 | R5-E64 PolarHBondContact NH1-O 2.89Å; R5-E64 PolarHBondContact NH2-O 2.98Å; A61-E64 PolarHBondContact O-N 3.47Å; S62-E64 VanDerWaalsContact C-N 3.33Å |
| 65 | G | 89.5 | Confident | 97.6 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 33% | 0.33 | 21% | 0.214 | S | C | . | . | trans | -62.5 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S62 K63 | S62-G65 PolarHBondContact O-N 2.87Å; K63-G65 VanDerWaalsContact C-N 3.26Å; K63-G65 PolarHBondContact O-N 3.3Å | ||
| 66 | P | 95.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 41.3 Ų | 41.3 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | cis | -76.7 | 153.6 | 4.5 | 27.4 | -33.1 | 0 | 0 | 0 | 114.5 | R5 R98 | R5-P66 PolarHBondContact NH1-O 2.97Å; P66-R98 VanDerWaalsContact CB-NH2 3.26Å | ||
| 67 | Y | 98.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | trans | -101.6 | 150.4 | 167.2 | -62.5 | -92 | 0 | 0 | 0 | 111.1 | R5 L7 A61 Q95 R98 | R5-Y67 HydrophobicContact CB-CD1 3.94Å; L7-Y67 HydrophobicContact CB-CD1 3.76Å; L7-Y67 HydrophobicContact CB-CD2 3.81Å; L7-Y67 HydrophobicContact CB-CE1 4.01Å; L7-Y67 HydrophobicContact CB-CE2 4.09Å; L7-Y67 HydrophobicContact CB-CG 3.65Å; L7-Y67 HydrophobicContact CD1-CE1 4.45Å; L7-Y67 HydrophobicContact CD1-CE2 4.28Å; L7-Y67 HydrophobicContact CD2-CD2 4.13Å; L7-Y67 HydrophobicContact CD2-CE2 4.1Å; L7-Y67 HydrophobicContact CG-CD2 4.47Å; L7-Y67 HydrophobicContact CG-CE2 4.4Å; A61-Y67 WeakPolarHBondContact O-CE2 3.33Å; A61-Y67 PolarHBondContact O-OH 2.84Å; Y67-Q95 PolarHBondContact O-OE1 3.12Å; Y67-R98 PolarHBondContact O-NH1 3.39Å; Y67-R98 VanDerWaalsContact O-NH1 3.07Å; Y67-R98 PolarHBondContact O-NH2 3.37Å | ||
| 68 | D | 98.8 | Very high | 97.3 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -75.1 | -30.6 | 174.2 | -63.1 | -92.5 | 0 | 0 | 0 | 111.6 | K4 R5 Q95 L101 L172 | K4-D68 VanDerWaalsContact CA-OD2 3.32Å; K4-D68 WeakPolarHBondContact CA-OD2 3.44Å; K4-D68 HydrophobicContact CD-CB 4.09Å; K4-D68 WeakPolarHBondContact CD-OD1 3.17Å; K4-D68 WeakPolarHBondContact CD-OD2 3.47Å; K4-D68 IonicContact NZ-OD1 2.85Å; K4-D68 PolarHBondContact NZ-OD1 3.38Å; R5-D68 PolarHBondContact N-OD2 3.44Å; R5-D68 WeakPolarHBondContact O-CA 3.26Å; R5-D68 WeakPolarHBondContact O-CB 3.44Å; R5-D68 PolarHBondContact O-N 3.01Å; D68-Q95 PolarHBondContact O-NE2 3.49Å; D68-L101 WeakPolarHBondContact O-CB 3.45Å; D68-L101 PolarHBondContact O-N 3.15Å; D68-L101 VanDerWaalsContact O-N 3.12Å; D68-L172 HydrophobicContact CB-CD1 4.24Å; D68-L172 HydrophobicContact CB-CD2 3.87Å |
| 69 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.2 | 174.3 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | R5 A6 L7 M26 L101 A103 I168 L172 | R5-V69 PolarHBondContact O-N 3.23Å; A6-V69 WeakPolarHBondContact CA-O 3.48Å; A6-V69 HydrophobicContact CB-CG1 3.39Å; L7-V69 PolarHBondContact N-O 3.14Å; M26-V69 HydrophobicContact SD-CG1 4.22Å; V69-L101 VanDerWaalsContact CA-O 3.29Å; V69-L101 WeakPolarHBondContact CA-O 3.3Å; V69-L101 HydrophobicContact CB-CB 3.96Å; V69-L101 HydrophobicContact CB-CD2 4.07Å; V69-L101 HydrophobicContact CB-CG 4.31Å; V69-L101 HydrophobicContact CG2-CB 3.95Å; V69-L101 HydrophobicContact CG2-CD2 3.84Å; V69-L101 HydrophobicContact CG2-CG 3.86Å; V69-A103 HydrophobicContact CG2-CB 3.99Å; V69-I168 HydrophobicContact CG1-CG2 4.17Å; V69-I168 HydrophobicContact CG2-CG2 4.26Å; V69-L172 HydrophobicContact CB-CD1 4.04Å; V69-L172 HydrophobicContact CG1-CD1 3.69Å |
| 70 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.7 | 165 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | L7 I9 L72 V91 L92 Q95 L101 I102 A103 | L7-V70 HydrophobicContact CB-CG2 4.37Å; L7-V70 HydrophobicContact CD2-CG2 4.33Å; L7-V70 CarbonylContact O-C 3.59Å; L7-V70 WeakPolarHBondContact O-CA 3.25Å; I9-V70 HydrophobicContact CD1-CG1 3.98Å; I9-V70 HydrophobicContact CG1-CG1 4.46Å; V70-L72 HydrophobicContact CG1-CD2 4.45Å; V70-V91 HydrophobicContact CG1-CG1 4.1Å; V70-V91 HydrophobicContact CG2-CG1 3.99Å; V70-L92 HydrophobicContact CG1-CD2 4.07Å; V70-Q95 HydrophobicContact CB-CG 4.24Å; V70-Q95 HydrophobicContact CG2-CB 4.13Å; V70-Q95 HydrophobicContact CG2-CG 3.81Å; V70-L101 PolarHBondContact N-O 3.04Å; V70-I102 WeakPolarHBondContact O-CA 3.49Å; V70-A103 PolarHBondContact O-N 2.81Å |
| 71 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.3 | -176.4 | -169.6 | 156.3 | 0 | 0 | 0 | 111.4 | L7 V8 I9 P22 M26 P73 A103 F164 I168 | L7-L71 PolarHBondContact O-N 3.24Å; V8-L71 HydrophobicContact CG1-CD2 4.02Å; V8-L71 HydrophobicContact CG2-CB 4.1Å; I9-L71 PolarHBondContact N-O 2.83Å; I9-L71 VanDerWaalsContact N-O 3.12Å; P22-L71 HydrophobicContact CB-CD1 3.49Å; P22-L71 VanDerWaalsContact CB-CD1 3.49Å; P22-L71 HydrophobicContact CG-CD1 4.2Å; M26-L71 HydrophobicContact CE-CD1 3.87Å; L71-P73 HydrophobicContact CD2-CG 3.93Å; L71-A103 CarbonylContact C-O 3.57Å; L71-A103 VanDerWaalsContact CA-O 3.24Å; L71-A103 WeakPolarHBondContact CA-O 3.23Å; L71-A103 HydrophobicContact CG-CB 4.4Å; L71-F164 HydrophobicContact CD1-CE1 3.83Å; L71-F164 HydrophobicContact CD1-CZ 4.24Å; L71-F164 HydrophobicContact CD2-CE1 4.46Å; L71-F164 HydrophobicContact CG-CE1 4.12Å; L71-F164 HydrophobicContact CG-CZ 4.24Å; L71-I168 HydrophobicContact CD1-CD1 3.75Å |
| 72 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 105.4 | 175.7 | -52.9 | -177.7 | 0 | 0 | 0 | 110.5 | I9 V70 L82 V88 L92 A103 A104 I105 A111 L112 | I9-L72 HydrophobicContact CB-CD2 4.32Å; I9-L72 HydrophobicContact CD1-CD2 3.91Å; I9-L72 HydrophobicContact CG1-CD2 4.37Å; V70-L72 HydrophobicContact CG1-CD2 4.45Å; L72-L82 HydrophobicContact CB-CD1 4.15Å; L72-L82 HydrophobicContact CD2-CD1 4.28Å; L72-V88 HydrophobicContact CD2-CG1 4.42Å; L72-L92 HydrophobicContact CD1-CD1 4.04Å; L72-L92 HydrophobicContact CD1-CD2 4.19Å; L72-A103 PolarHBondContact N-O 3.38Å; L72-A104 HydrophobicContact CB-CB 4Å; L72-A104 HydrophobicContact CD1-CB 4.44Å; L72-A104 WeakPolarHBondContact O-CA 3.29Å; L72-I105 PolarHBondContact O-N 3.44Å; L72-A111 HydrophobicContact CD1-CB 4.02Å; L72-L112 HydrophobicContact CD1-CD2 3.88Å |
| 73 | P | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | trans | -62.2 | 159.1 | 170.1 | -19.9 | 33.5 | 0 | 0 | 0 | 111.3 | V8 I9 A14 T19 L71 | V8-P73 HydrophobicContact CG1-CG 4.05Å; I9-P73 WeakPolarHBondContact O-CD 3.19Å; A14-P73 HydrophobicContact CB-CB 4.44Å; T19-P73 HydrophobicContact CG2-CG 4.45Å; T19-P73 WeakPolarHBondContact OG1-CB 3.3Å; L71-P73 HydrophobicContact CD2-CG 3.93Å | ||
| 74 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -87.7 | -139.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A14 E15 E18 I105 | A14-G74 WeakPolarHBondContact CA-O 3.49Å; E15-G74 PolarHBondContact N-O 3.46Å; E15-G74 VanDerWaalsContact N-O 3.16Å; E18-G74 WeakPolarHBondContact OE2-CA 3.42Å; E18-G74 PolarHBondContact OE2-N 3.45Å; G74-I105 WeakPolarHBondContact CA-O 3.36Å; G74-I105 PolarHBondContact N-O 3.11Å | ||
| 75 | G | 97.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | trans | 78.6 | 127.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G78 A79 | G75-G78 PolarHBondContact O-N 3.3Å; G75-A79 VanDerWaalsContact O-CB 3.29Å; G75-A79 WeakPolarHBondContact O-CB 3.34Å; G75-A79 PolarHBondContact O-N 2.79Å | ||
| 76 | M | 94.7 | Very high | 98.2 | Very high | 130 Ų | 130 | 36.7 Ų | 36.7 | 64% | 0.64 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -59.2 | -46.7 | -171.6 | -72.8 | -170.1 | -69.2 | 0 | 0 | 113.9 | K80 M129 | M76-K80 WeakPolarHBondContact O-CB 3.32Å; M76-K80 PolarHBondContact O-N 3.33Å; M76-M129 HydrophobicContact CG-CE 3.85Å; M76-M129 HydrophobicContact CG-SD 4.45Å; M76-M129 HydrophobicContact SD-CE 3.55Å; M76-M129 VanDerWaalsContact SD-CE 3.55Å |
| 77 | P | 97.1 | Very high | 98.4 | Very high | 71 Ų | 71 | 35 Ų | 35 | 46% | 0.461 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67 | -41.7 | 177.2 | -17.2 | 30.9 | 0 | 0 | 0 | 112.1 | K80 N81 | P77-K80 PolarHBondContact O-N 3.45Å; P77-N81 PolarHBondContact O-N 2.96Å; P77-N81 PolarHBondContact O-ND2 2.84Å |
| 78 | G | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -51.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K12 G13 G75 K80 N81 L82 | K12-G78 WeakPolarHBondContact O-CA 3.43Å; K12-G78 PolarHBondContact O-N 3.36Å; G13-G78 PolarHBondContact O-N 3.4Å; G75-G78 PolarHBondContact O-N 3.3Å; G78-K80 VanDerWaalsContact C-N 3.31Å; G78-K80 PolarHBondContact O-N 3.33Å; G78-N81 WeakPolarHBondContact O-CB 3.29Å; G78-N81 PolarHBondContact O-N 3.49Å; G78-L82 WeakPolarHBondContact O-CG 3.41Å; G78-L82 PolarHBondContact O-N 3.12Å |
| 79 | A | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G75 L82 A83 A107 | G75-A79 VanDerWaalsContact O-CB 3.29Å; G75-A79 WeakPolarHBondContact O-CB 3.34Å; G75-A79 PolarHBondContact O-N 2.79Å; A79-L82 PolarHBondContact O-N 3.43Å; A79-A83 WeakPolarHBondContact O-CB 3.16Å; A79-A83 PolarHBondContact O-N 3.01Å; A79-A107 HydrophobicContact CB-CB 3.65Å; A79-A107 WeakPolarHBondContact CB-O 3.33Å |
| 80 | K | 98.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 42.6 Ų | 42.6 | 47% | 0.474 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 173.4 | -179 | -177.3 | 172.3 | -175.2 | 0 | 111.2 | M76 P77 G78 L82 A83 E84 | M76-K80 WeakPolarHBondContact O-CB 3.32Å; M76-K80 PolarHBondContact O-N 3.33Å; P77-K80 PolarHBondContact O-N 3.45Å; G78-K80 VanDerWaalsContact C-N 3.31Å; G78-K80 PolarHBondContact O-N 3.33Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 2.82Å; K80-A83 WeakPolarHBondContact O-CB 3.36Å; K80-A83 PolarHBondContact O-N 2.82Å; K80-A83 VanDerWaalsContact O-N 3.13Å; K80-E84 WeakPolarHBondContact CE-OE1 3.43Å; K80-E84 IonicContact NZ-OE1 2.79Å; K80-E84 WeakPolarHBondContact O-CG 3.25Å; K80-E84 PolarHBondContact O-N 3.45Å |
| 81 | N | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -37 | 178.2 | -66.1 | -25 | 0 | 0 | 0 | 112.1 | S11 K12 L38 P77 G78 E84 S85 | S11-N81 WeakPolarHBondContact OG-CB 3.28Å; S11-N81 PolarHBondContact OG-ND2 3.15Å; K12-N81 PolarHBondContact O-ND2 2.91Å; L38-N81 HydrophobicContact CD2-CB 3.88Å; P77-N81 PolarHBondContact O-N 2.96Å; P77-N81 PolarHBondContact O-ND2 2.84Å; G78-N81 WeakPolarHBondContact O-CB 3.29Å; G78-N81 PolarHBondContact O-N 3.49Å; N81-E84 PolarHBondContact O-N 2.81Å; N81-S85 WeakPolarHBondContact O-CB 3.49Å; N81-S85 PolarHBondContact O-N 2.99Å |
| 82 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 174.1 | -66.5 | 172.8 | 0 | 0 | 0 | 111.7 | I9 L38 L72 G78 A79 K80 E84 S85 V88 A111 H115 | I9-L82 HydrophobicContact CB-CD2 4.02Å; I9-L82 HydrophobicContact CG2-CD2 3.49Å; I9-L82 VanDerWaalsContact CG2-CD2 3.49Å; L38-L82 HydrophobicContact CD2-CD2 4.33Å; L72-L82 HydrophobicContact CB-CD1 4.15Å; L72-L82 HydrophobicContact CD2-CD1 4.28Å; G78-L82 WeakPolarHBondContact O-CG 3.41Å; G78-L82 PolarHBondContact O-N 3.12Å; A79-L82 PolarHBondContact O-N 3.43Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 2.82Å; L82-E84 VanDerWaalsContact C-N 3.3Å; L82-E84 PolarHBondContact O-N 2.83Å; L82-S85 PolarHBondContact O-N 3.49Å; L82-V88 HydrophobicContact CD2-CG2 3.88Å; L82-A111 HydrophobicContact CB-CB 4.02Å; L82-H115 PolarHBondContact O-NE2 2.79Å |
| 83 | A | 98.7 | Very high | 98.4 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -31 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A79 K80 A111 A114 H115 | A79-A83 WeakPolarHBondContact O-CB 3.16Å; A79-A83 PolarHBondContact O-N 3.01Å; K80-A83 WeakPolarHBondContact O-CB 3.36Å; K80-A83 PolarHBondContact O-N 2.82Å; K80-A83 VanDerWaalsContact O-N 3.13Å; A83-A111 HydrophobicContact CB-CB 4.21Å; A83-A114 HydrophobicContact CB-CB 3.65Å; A83-H115 PolarHBondContact O-CE1 2.87Å; A83-H115 PolarHBondContact O-NE2 2.87Å |
| 84 | E | 98.8 | Very high | 98.3 | Very high | 123 Ų | 123 | 52 Ų | 52 | 58% | 0.575 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -86.8 | -10.1 | -179.7 | -70.5 | 173.7 | 170.2 | 0 | 0 | 113.4 | K80 N81 L82 P86 | K80-E84 WeakPolarHBondContact CE-OE1 3.43Å; K80-E84 IonicContact NZ-OE1 2.79Å; K80-E84 WeakPolarHBondContact O-CG 3.25Å; K80-E84 PolarHBondContact O-N 3.45Å; N81-E84 PolarHBondContact O-N 2.81Å; L82-E84 VanDerWaalsContact C-N 3.3Å; L82-E84 PolarHBondContact O-N 2.83Å; E84-P86 WeakPolarHBondContact O-CD 3.44Å |
| 85 | S | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | trans | -87 | 120.5 | -173.4 | 177.1 | 0 | 0 | 0 | 0 | 113.3 | N81 L82 A87 V88 K89 H115 | N81-S85 WeakPolarHBondContact O-CB 3.49Å; N81-S85 PolarHBondContact O-N 2.99Å; L82-S85 PolarHBondContact O-N 3.49Å; S85-A87 VanDerWaalsContact C-N 3.29Å; S85-A87 PolarHBondContact O-N 3.34Å; S85-A87 PolarHBondContact OG-N 3.42Å; S85-V88 PolarHBondContact O-N 3.26Å; S85-V88 PolarHBondContact OG-N 2.83Å; S85-K89 PolarHBondContact O-N 3.46Å; S85-K89 VanDerWaalsContact O-N 3.15Å; S85-H115 PolarHBondContact O-CE1 3.48Å | ||
| 86 | P | 98.5 | Very high | 98.4 | Very high | 95 Ų | 95 | 53.5 Ų | 53.5 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.9 | -34.4 | 170.4 | -22.2 | 34.4 | 0 | 0 | 0 | 112.8 | E84 V88 K89 E90 | E84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-V88 VanDerWaalsContact C-N 3.31Å; P86-V88 PolarHBondContact O-N 2.71Å; P86-K89 VanDerWaalsContact O-CB 3.28Å; P86-K89 WeakPolarHBondContact O-CB 3.14Å; P86-K89 PolarHBondContact O-N 3.02Å; P86-K89 VanDerWaalsContact O-N 3.16Å; P86-E90 PolarHBondContact O-N 3.28Å |
| 87 | A | 98.6 | Very high | 98.6 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L58 S85 E90 V91 | L58-A87 HydrophobicContact CD2-CB 4.04Å; S85-A87 VanDerWaalsContact C-N 3.29Å; S85-A87 PolarHBondContact O-N 3.34Å; S85-A87 PolarHBondContact OG-N 3.42Å; A87-E90 PolarHBondContact O-N 2.79Å; A87-V91 WeakPolarHBondContact O-CG2 3.44Å; A87-V91 PolarHBondContact O-N 3.25Å; A87-V91 VanDerWaalsContact O-N 3.11Å |
| 88 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 174.3 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | I9 L38 L58 L72 L82 S85 P86 E90 V91 L92 | I9-V88 HydrophobicContact CD1-CG1 4.49Å; I9-V88 HydrophobicContact CD1-CG2 4.31Å; I9-V88 HydrophobicContact CG2-CG2 4.25Å; L38-V88 HydrophobicContact CD1-CG2 3.53Å; L58-V88 HydrophobicContact CD2-CG2 4.03Å; L72-V88 HydrophobicContact CD2-CG1 4.42Å; L82-V88 HydrophobicContact CD2-CG2 3.88Å; S85-V88 PolarHBondContact O-N 3.26Å; S85-V88 PolarHBondContact OG-N 2.83Å; P86-V88 VanDerWaalsContact C-N 3.31Å; P86-V88 PolarHBondContact O-N 2.71Å; V88-E90 VanDerWaalsContact C-N 3.35Å; V88-E90 PolarHBondContact O-N 3.28Å; V88-V91 PolarHBondContact O-N 2.92Å; V88-L92 HydrophobicContact CG1-CD1 3.74Å; V88-L92 HydrophobicContact CG1-CG 4.15Å; V88-L92 WeakPolarHBondContact O-CB 3.33Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.36Å; V88-L92 PolarHBondContact O-N 3.37Å |
| 89 | K | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 59.5 Ų | 59.5 | 39% | 0.391 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55 | -50 | 175 | -171.1 | 178.6 | 176.7 | -179.9 | 0 | 111.8 | S85 P86 L92 K93 H115 | S85-K89 PolarHBondContact O-N 3.46Å; S85-K89 VanDerWaalsContact O-N 3.15Å; P86-K89 VanDerWaalsContact O-CB 3.28Å; P86-K89 WeakPolarHBondContact O-CB 3.14Å; P86-K89 PolarHBondContact O-N 3.02Å; P86-K89 VanDerWaalsContact O-N 3.16Å; K89-L92 PolarHBondContact O-N 3.29Å; K89-K93 HydrophobicContact CG-CG 4.4Å; K89-K93 WeakPolarHBondContact O-CB 3.49Å; K89-K93 VanDerWaalsContact O-CG 3.3Å; K89-K93 WeakPolarHBondContact O-CG 3.43Å; K89-K93 PolarHBondContact O-N 2.93Å; K89-H115 HydrophobicContact CB-CB 4.49Å; K89-H115 WeakPolarHBondContact CB-ND1 3.07Å; K89-H115 HydrophobicContact CG-CB 4.11Å |
| 90 | E | 98.6 | Very high | 98.6 | Very high | 124 Ų | 124 | 59.9 Ų | 59.9 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | -178.8 | -64.4 | -49.2 | 133.2 | 0 | 0 | 111.8 | P86 A87 V88 L92 K93 D94 | P86-E90 PolarHBondContact O-N 3.28Å; A87-E90 PolarHBondContact O-N 2.79Å; V88-E90 VanDerWaalsContact C-N 3.35Å; V88-E90 PolarHBondContact O-N 3.28Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 3.41Å; E90-K93 PolarHBondContact O-N 2.96Å; E90-D94 PolarHBondContact O-N 2.87Å |
| 91 | V | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L7 I9 L58 V70 A87 V88 Q95 | L7-V91 HydrophobicContact CD2-CG1 3.91Å; I9-V91 HydrophobicContact CD1-CG1 4.3Å; L58-V91 HydrophobicContact CD1-CG2 4.35Å; V70-V91 HydrophobicContact CG1-CG1 4.1Å; V70-V91 HydrophobicContact CG2-CG1 3.99Å; A87-V91 WeakPolarHBondContact O-CG2 3.44Å; A87-V91 PolarHBondContact O-N 3.25Å; A87-V91 VanDerWaalsContact O-N 3.11Å; V88-V91 PolarHBondContact O-N 2.92Å; V91-Q95 VanDerWaalsContact O-CB 3.29Å; V91-Q95 WeakPolarHBondContact O-CB 3.14Å; V91-Q95 PolarHBondContact O-N 2.91Å |
| 92 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 179.2 | -68 | 173.9 | 0 | 0 | 0 | 112.3 | V70 L72 V88 K89 E90 Q95 D96 I102 L112 H115 I117 | V70-L92 HydrophobicContact CG1-CD2 4.07Å; L72-L92 HydrophobicContact CD1-CD1 4.04Å; L72-L92 HydrophobicContact CD1-CD2 4.19Å; V88-L92 HydrophobicContact CG1-CD1 3.74Å; V88-L92 HydrophobicContact CG1-CG 4.15Å; V88-L92 WeakPolarHBondContact O-CB 3.33Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.36Å; V88-L92 PolarHBondContact O-N 3.37Å; K89-L92 PolarHBondContact O-N 3.29Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 3.41Å; L92-Q95 PolarHBondContact O-N 2.5Å; L92-D96 WeakPolarHBondContact O-CB 3.46Å; L92-D96 PolarHBondContact O-N 2.86Å; L92-I102 HydrophobicContact CD2-CD1 4.31Å; L92-I102 HydrophobicContact CD2-CG1 4.35Å; L92-I102 HydrophobicContact CD2-CG2 4.01Å; L92-L112 HydrophobicContact CD1-CD2 4.11Å; L92-L112 HydrophobicContact CD2-CD2 4.34Å; L92-H115 HydrophobicContact CD1-CB 4.45Å; L92-I117 HydrophobicContact CB-CD1 3.89Å; L92-I117 HydrophobicContact CB-CG1 3.93Å; L92-I117 HydrophobicContact CD1-CG1 4.33Å |
| 93 | K | 98.6 | Very high | 98.6 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 37% | 0.365 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 177.2 | -74.9 | -70.5 | 175.4 | -167.2 | 0 | 112 | K89 E90 G97 H115 G116 I117 | K89-K93 HydrophobicContact CG-CG 4.4Å; K89-K93 WeakPolarHBondContact O-CB 3.49Å; K89-K93 VanDerWaalsContact O-CG 3.3Å; K89-K93 WeakPolarHBondContact O-CG 3.43Å; K89-K93 PolarHBondContact O-N 2.93Å; E90-K93 PolarHBondContact O-N 2.96Å; K93-G97 PolarHBondContact O-N 3.42Å; K93-H115 WeakPolarHBondContact CE-O 3.27Å; K93-H115 PolarHBondContact NZ-O 3.36Å; K93-G116 PolarHBondContact NZ-O 3.29Å; K93-I117 HydrophobicContact CD-CD1 3.67Å; K93-I117 HydrophobicContact CG-CD1 4.03Å |
| 94 | D | 98.4 | Very high | 98.6 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -52.2 | 172.2 | 175.8 | 76.8 | 0 | 0 | 0 | 111 | E90 D96 G97 R98 | E90-D94 PolarHBondContact O-N 2.87Å; D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 PolarHBondContact O-N 2.87Å; D94-G97 PolarHBondContact O-N 3.42Å; D94-R98 WeakPolarHBondContact O-CG 3.25Å; D94-R98 PolarHBondContact O-N 2.82Å; D94-R98 VanDerWaalsContact O-N 3.15Å; D94-R98 IonicContact OD2-CZ 2.68Å; D94-R98 IonicContact OD2-NE 2.68Å; D94-R98 PolarHBondContact OD2-NE 2.88Å |
| 95 | Q | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 179.8 | -172.7 | 71 | 5.6 | 0 | 0 | 111.5 | Y67 D68 V70 V91 L92 R98 K99 G100 L101 I102 | Y67-Q95 PolarHBondContact O-OE1 3.12Å; D68-Q95 PolarHBondContact O-NE2 3.49Å; V70-Q95 HydrophobicContact CB-CG 4.24Å; V70-Q95 HydrophobicContact CG2-CB 4.13Å; V70-Q95 HydrophobicContact CG2-CG 3.81Å; V91-Q95 VanDerWaalsContact O-CB 3.29Å; V91-Q95 WeakPolarHBondContact O-CB 3.14Å; V91-Q95 PolarHBondContact O-N 2.91Å; L92-Q95 PolarHBondContact O-N 2.5Å; Q95-R98 WeakPolarHBondContact O-CG 3.24Å; Q95-R98 PolarHBondContact O-N 2.85Å; Q95-K99 PolarHBondContact O-N 3.35Å; Q95-G100 VanDerWaalsContact NE2-CA 3.35Å; Q95-G100 PolarHBondContact O-N 3.29Å; Q95-L101 PolarHBondContact NE2-O 3.34Å; Q95-I102 HydrophobicContact CB-CD1 4.14Å; Q95-I102 HydrophobicContact CB-CG1 4.11Å; Q95-I102 HydrophobicContact CG-CD1 3.97Å; Q95-I102 HydrophobicContact CG-CG1 3.45Å; Q95-I102 VanDerWaalsContact CG-CG1 3.45Å |
| 96 | D | 98.6 | Very high | 98.6 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | -179.6 | -164.9 | 37.3 | 0 | 0 | 0 | 112.1 | L92 D94 R98 K99 I102 I117 H151 Y152 | L92-D96 WeakPolarHBondContact O-CB 3.46Å; L92-D96 PolarHBondContact O-N 2.86Å; D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 PolarHBondContact O-N 2.87Å; D96-R98 PolarHBondContact O-N 2.92Å; D96-K99 PolarHBondContact O-N 2.93Å; D96-I102 HydrophobicContact CB-CD1 3.96Å; D96-I117 HydrophobicContact CB-CD1 4.39Å; D96-I117 HydrophobicContact CB-CG2 4.47Å; D96-H151 IonicContact OD1-CD2 2.83Å; D96-H151 IonicContact OD1-CE1 3.01Å; D96-H151 IonicContact OD1-NE2 2.57Å; D96-H151 PolarHBondContact OD1-NE2 2.99Å; D96-Y152 VanDerWaalsContact CG-OH 3.29Å; D96-Y152 WeakPolarHBondContact OD1-CE1 3.43Å; D96-Y152 VanDerWaalsContact OD1-CZ 3.27Å; D96-Y152 PolarHBondContact OD1-OH 3.17Å; D96-Y152 PolarHBondContact OD2-OH 3.01Å |
| 97 | G | 98.3 | Very high | 98.6 | Very high | 68 Ų | 68 | 41 Ų | 41 | 70% | 0.701 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -60 | -30.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K93 D94 | K93-G97 PolarHBondContact O-N 3.42Å; D94-G97 PolarHBondContact O-N 3.42Å |
| 98 | R | 97.8 | Very high | 98.7 | Very high | 94 Ų | 94 | 38.6 Ų | 38.6 | 36% | 0.355 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 9.7 | 174.2 | 70.2 | -162.6 | 179.3 | 82.3 | -5.7 | 114.6 | P66 Y67 D94 Q95 D96 G100 | P66-R98 VanDerWaalsContact CB-NH2 3.26Å; Y67-R98 PolarHBondContact O-NH1 3.39Å; Y67-R98 VanDerWaalsContact O-NH1 3.07Å; Y67-R98 PolarHBondContact O-NH2 3.37Å; D94-R98 WeakPolarHBondContact O-CG 3.25Å; D94-R98 PolarHBondContact O-N 2.82Å; D94-R98 VanDerWaalsContact O-N 3.15Å; D94-R98 IonicContact OD2-CZ 2.68Å; D94-R98 IonicContact OD2-NE 2.68Å; D94-R98 PolarHBondContact OD2-NE 2.88Å; Q95-R98 WeakPolarHBondContact O-CG 3.24Å; Q95-R98 PolarHBondContact O-N 2.85Å; D96-R98 PolarHBondContact O-N 2.92Å; R98-G100 PolarHBondContact O-N 3.27Å |
| 99 | K | 98.2 | Very high | 98.6 | Very high | 165 Ų | 165 | 38.6 Ų | 38.6 | 72% | 0.717 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30.2 | -177.6 | -53.4 | -178.3 | 179.9 | -178 | 0 | 113.3 | Q95 D96 | Q95-K99 PolarHBondContact O-N 3.35Å; D96-K99 PolarHBondContact O-N 2.93Å |
| 100 | G | 98.4 | Very high | 98.6 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | trans | -72 | 152 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q95 R98 I102 H151 | Q95-G100 VanDerWaalsContact NE2-CA 3.35Å; Q95-G100 PolarHBondContact O-N 3.29Å; R98-G100 PolarHBondContact O-N 3.27Å; G100-I102 PolarHBondContact O-N 3.42Å; G100-H151 PolarHBondContact O-CD2 3.38Å; G100-H151 VanDerWaalsContact O-CD2 3.25Å | ||
| 101 | L | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.8 | -175.7 | -167.6 | 64.4 | 0 | 0 | 0 | 110.7 | D68 V69 V70 Q95 H151 I153 I168 E171 L172 | D68-L101 WeakPolarHBondContact O-CB 3.45Å; D68-L101 PolarHBondContact O-N 3.15Å; D68-L101 VanDerWaalsContact O-N 3.12Å; V69-L101 VanDerWaalsContact CA-O 3.29Å; V69-L101 WeakPolarHBondContact CA-O 3.3Å; V69-L101 HydrophobicContact CB-CB 3.96Å; V69-L101 HydrophobicContact CB-CD2 4.07Å; V69-L101 HydrophobicContact CB-CG 4.31Å; V69-L101 HydrophobicContact CG2-CB 3.95Å; V69-L101 HydrophobicContact CG2-CD2 3.84Å; V69-L101 HydrophobicContact CG2-CG 3.86Å; V70-L101 PolarHBondContact N-O 3.04Å; Q95-L101 PolarHBondContact NE2-O 3.34Å; L101-H151 WeakPolarHBondContact CA-O 3.28Å; L101-H151 WeakPolarHBondContact CD1-O 3.41Å; L101-I153 HydrophobicContact CD1-CD1 3.79Å; L101-I153 HydrophobicContact CD1-CG1 3.93Å; L101-I153 HydrophobicContact CD2-CD1 3.9Å; L101-I153 HydrophobicContact CG-CD1 4.19Å; L101-I168 HydrophobicContact CD2-CG2 4.23Å; L101-E171 HydrophobicContact CD1-CG 4.11Å; L101-E171 HydrophobicContact CD2-CB 4.1Å; L101-E171 HydrophobicContact CD2-CG 3.9Å; L101-L172 HydrophobicContact CD2-CD2 4.12Å; L101-L172 HydrophobicContact CD2-CG 4.18Å |
| 102 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.1 | 171.9 | -67 | 165.7 | 0 | 0 | 0 | 107.8 | V70 L92 Q95 D96 G100 L112 I117 H151 Y152 I153 | V70-I102 WeakPolarHBondContact O-CA 3.49Å; L92-I102 HydrophobicContact CD2-CD1 4.31Å; L92-I102 HydrophobicContact CD2-CG1 4.35Å; L92-I102 HydrophobicContact CD2-CG2 4.01Å; Q95-I102 HydrophobicContact CB-CD1 4.14Å; Q95-I102 HydrophobicContact CB-CG1 4.11Å; Q95-I102 HydrophobicContact CG-CD1 3.97Å; Q95-I102 HydrophobicContact CG-CG1 3.45Å; Q95-I102 VanDerWaalsContact CG-CG1 3.45Å; D96-I102 HydrophobicContact CB-CD1 3.96Å; G100-I102 PolarHBondContact O-N 3.42Å; I102-L112 HydrophobicContact CG2-CD1 4.46Å; I102-L112 HydrophobicContact CG2-CD2 3.68Å; I102-I117 HydrophobicContact CD1-CG2 3.86Å; I102-H151 PolarHBondContact N-O 2.94Å; I102-Y152 HydrophobicContact CB-CD1 4.08Å; I102-Y152 HydrophobicContact CD1-CD1 4.43Å; I102-Y152 HydrophobicContact CD1-CE1 4.06Å; I102-Y152 CarbonylContact O-C 3.58Å; I102-Y152 WeakPolarHBondContact O-CA 3.29Å; I102-I153 PolarHBondContact O-N 3.37Å |
| 103 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V69 V70 L71 L72 I153 F164 I168 | V69-A103 HydrophobicContact CG2-CB 3.99Å; V70-A103 PolarHBondContact O-N 2.81Å; L71-A103 CarbonylContact C-O 3.57Å; L71-A103 VanDerWaalsContact CA-O 3.24Å; L71-A103 WeakPolarHBondContact CA-O 3.23Å; L71-A103 HydrophobicContact CG-CB 4.4Å; L72-A103 PolarHBondContact N-O 3.38Å; A103-I153 CarbonylContact C-O 3.58Å; A103-I153 VanDerWaalsContact CA-O 3.23Å; A103-I153 WeakPolarHBondContact CA-O 3.37Å; A103-I153 HydrophobicContact CB-CB 4.31Å; A103-F164 HydrophobicContact CB-CE2 3.81Å; A103-F164 HydrophobicContact CB-CZ 3.58Å; A103-I168 HydrophobicContact CB-CD1 3.64Å; A103-I168 HydrophobicContact CB-CG1 4.02Å |
| 104 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 P109 L112 I153 T154 S155 | L72-A104 HydrophobicContact CB-CB 4Å; L72-A104 HydrophobicContact CD1-CB 4.44Å; L72-A104 WeakPolarHBondContact O-CA 3.29Å; A104-P109 HydrophobicContact CB-CB 4.37Å; A104-P109 HydrophobicContact CB-CG 3.84Å; A104-L112 HydrophobicContact CB-CD1 4.27Å; A104-I153 PolarHBondContact N-O 3.38Å; A104-T154 CarbonylContact O-C 3.58Å; A104-T154 WeakPolarHBondContact O-CA 3.28Å; A104-S155 PolarHBondContact O-N 3.45Å; A104-S155 VanDerWaalsContact O-N 3.13Å |
| 105 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.8 | -174.1 | -174.3 | 161.8 | 0 | 0 | 0 | 112.2 | E18 L72 G74 A107 G108 P109 S155 G157 F164 | E18-I105 HydrophobicContact CB-CG2 3.82Å; E18-I105 HydrophobicContact CG-CD1 4.26Å; E18-I105 HydrophobicContact CG-CG1 4.36Å; E18-I105 HydrophobicContact CG-CG2 4.12Å; L72-I105 PolarHBondContact O-N 3.44Å; G74-I105 WeakPolarHBondContact CA-O 3.36Å; G74-I105 PolarHBondContact N-O 3.11Å; I105-A107 PolarHBondContact O-N 3.46Å; I105-G108 WeakPolarHBondContact O-CA 3.45Å; I105-G108 PolarHBondContact O-N 3.16Å; I105-P109 WeakPolarHBondContact O-CD 3.37Å; I105-S155 CarbonylContact C-O 3.58Å; I105-S155 WeakPolarHBondContact CA-O 3.4Å; I105-G157 WeakPolarHBondContact CD1-O 3.34Å; I105-F164 HydrophobicContact CB-CD1 4.15Å; I105-F164 HydrophobicContact CB-CE1 3.93Å; I105-F164 HydrophobicContact CB-CZ 4.15Å; I105-F164 HydrophobicContact CD1-CB 4.08Å; I105-F164 HydrophobicContact CD1-CD1 3.78Å; I105-F164 HydrophobicContact CD1-CE1 4.4Å; I105-F164 HydrophobicContact CD1-CG 4.02Å; I105-F164 HydrophobicContact CG2-CD1 4.45Å; I105-F164 HydrophobicContact CG2-CE1 4.03Å |
| 106 | C | 98.7 | Very high | 98.7 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 9% | 0.088 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -103.9 | 171.5 | -174.2 | 0 | 0 | 0 | 0 | 112.8 | E18 T125 H126 S155 R156 | E18-C106 WeakPolarHBondContact OE1-CB 3.44Å; E18-C106 PolarHBondContact OE1-SG 2.92Å; E18-C106 WeakPolarHBondContact OE2-CB 3.42Å; C106-T125 WeakPolarHBondContact O-CB 3.45Å; C106-H126 HydrophobicContact CB-CB 4.34Å; C106-H126 PolarHBondContact O-N 3.37Å; C106-S155 PolarHBondContact N-O 3.49Å; C106-R156 WeakPolarHBondContact CA-O 3.35Å |
| 107 | A | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -16.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A79 I105 P109 T110 M129 | A79-A107 HydrophobicContact CB-CB 3.65Å; A79-A107 WeakPolarHBondContact CB-O 3.33Å; I105-A107 PolarHBondContact O-N 3.46Å; A107-P109 VanDerWaalsContact C-N 3.32Å; A107-T110 WeakPolarHBondContact O-CB 3.43Å; A107-T110 WeakPolarHBondContact O-CG2 3.14Å; A107-T110 PolarHBondContact O-N 3.04Å; A107-T110 PolarHBondContact O-OG1 3.15Å; A107-M129 HydrophobicContact CB-CG 3.82Å; A107-M129 HydrophobicContact CB-SD 4.12Å |
| 108 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I105 T110 A111 | I105-G108 WeakPolarHBondContact O-CA 3.45Å; I105-G108 PolarHBondContact O-N 3.16Å; G108-T110 PolarHBondContact O-N 3.48Å; G108-A111 WeakPolarHBondContact O-CB 3.4Å; G108-A111 PolarHBondContact O-N 3.09Å |
| 109 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.3 | -23.2 | 177.9 | -27.8 | 35.9 | 0 | 0 | 0 | 114.4 | A104 I105 A107 A111 L112 L113 T125 M133 T154 | A104-P109 HydrophobicContact CB-CB 4.37Å; A104-P109 HydrophobicContact CB-CG 3.84Å; I105-P109 WeakPolarHBondContact O-CD 3.37Å; A107-P109 VanDerWaalsContact C-N 3.32Å; P109-A111 PolarHBondContact O-N 2.67Å; P109-L112 WeakPolarHBondContact O-CA 3.19Å; P109-L112 VanDerWaalsContact O-CB 3.22Å; P109-L112 WeakPolarHBondContact O-CB 3.24Å; P109-L112 PolarHBondContact O-N 2.82Å; P109-L113 PolarHBondContact O-N 3.1Å; P109-T125 HydrophobicContact CB-CG2 3.81Å; P109-T125 HydrophobicContact CG-CG2 4.02Å; P109-M133 HydrophobicContact CB-CE 4.05Å; P109-M133 HydrophobicContact CB-SD 4.06Å; P109-M133 WeakPolarHBondContact O-CE 3.15Å; P109-M133 VanDerWaalsContact O-SD 3.37Å; P109-T154 HydrophobicContact CB-CG2 4.21Å; P109-T154 HydrophobicContact CG-CG2 3.94Å |
| 110 | T | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -19.1 | 176.8 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | A107 G108 A114 M129 K132 M133 | A107-T110 WeakPolarHBondContact O-CB 3.43Å; A107-T110 WeakPolarHBondContact O-CG2 3.14Å; A107-T110 PolarHBondContact O-N 3.04Å; A107-T110 PolarHBondContact O-OG1 3.15Å; G108-T110 PolarHBondContact O-N 3.48Å; T110-A114 PolarHBondContact O-N 3.2Å; T110-A114 VanDerWaalsContact O-N 3.13Å; T110-M129 HydrophobicContact CG2-CB 4.3Å; T110-K132 HydrophobicContact CG2-CD 4.08Å; T110-K132 HydrophobicContact CG2-CG 4.21Å; T110-M133 HydrophobicContact CG2-SD 4.48Å |
| 111 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.7 | -28.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L72 L82 A83 G108 P109 A114 H115 | L72-A111 HydrophobicContact CD1-CB 4.02Å; L82-A111 HydrophobicContact CB-CB 4.02Å; A83-A111 HydrophobicContact CB-CB 4.21Å; G108-A111 WeakPolarHBondContact O-CB 3.4Å; G108-A111 PolarHBondContact O-N 3.09Å; P109-A111 PolarHBondContact O-N 2.67Å; A111-A114 PolarHBondContact O-N 2.84Å; A111-H115 WeakPolarHBondContact O-CB 3.21Å; A111-H115 PolarHBondContact O-CD2 3.19Å; A111-H115 PolarHBondContact O-N 3.41Å; A111-H115 VanDerWaalsContact O-N 3.1Å |
| 112 | L | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 172.9 | -51.8 | -177.5 | 0 | 0 | 0 | 110.5 | L72 L92 I102 A104 P109 H115 G116 I117 Y139 T154 | L72-L112 HydrophobicContact CD1-CD2 3.88Å; L92-L112 HydrophobicContact CD1-CD2 4.11Å; L92-L112 HydrophobicContact CD2-CD2 4.34Å; I102-L112 HydrophobicContact CG2-CD1 4.46Å; I102-L112 HydrophobicContact CG2-CD2 3.68Å; A104-L112 HydrophobicContact CB-CD1 4.27Å; P109-L112 WeakPolarHBondContact O-CA 3.19Å; P109-L112 VanDerWaalsContact O-CB 3.22Å; P109-L112 WeakPolarHBondContact O-CB 3.24Å; P109-L112 PolarHBondContact O-N 2.82Å; L112-H115 CarbonylContact O-C 3.6Å; L112-H115 PolarHBondContact O-N 3.3Å; L112-G116 PolarHBondContact O-N 3.3Å; L112-I117 HydrophobicContact CB-CB 4.16Å; L112-I117 HydrophobicContact CD2-CB 4.3Å; L112-I117 HydrophobicContact CD2-CG2 4.13Å; L112-I117 PolarHBondContact O-N 3.26Å; L112-Y139 VanDerWaalsContact C-OH 3.26Å; L112-Y139 PolarHBondContact O-OH 3.15Å; L112-T154 HydrophobicContact CD1-CG2 4.5Å |
| 113 | L | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 16.9 Ų | 16.9 | 14% | 0.136 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 173.4 | 172.5 | 64.8 | 0 | 0 | 0 | 111.1 | P109 H115 G116 Y119 K132 M133 Y139 | P109-L113 PolarHBondContact O-N 3.1Å; L113-H115 PolarHBondContact O-N 3.42Å; L113-G116 PolarHBondContact O-N 3.31Å; L113-G116 VanDerWaalsContact O-N 3.13Å; L113-Y119 HydrophobicContact CD1-CE1 4.33Å; L113-Y119 PolarHBondContact O-OH 3.43Å; L113-K132 WeakPolarHBondContact CD2-O 3.41Å; L113-M133 HydrophobicContact CB-SD 4.1Å; L113-Y139 WeakPolarHBondContact CA-OH 3.46Å; L113-Y139 HydrophobicContact CB-CE2 3.97Å; L113-Y139 HydrophobicContact CD1-CE2 3.9Å; L113-Y139 PolarHBondContact N-OH 2.82Å |
| 114 | A | 98.7 | Very high | 98.7 | Very high | 57 Ų | 57 | 16.9 Ų | 16.9 | 47% | 0.471 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -58.8 | -32.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A83 T110 A111 | A83-A114 HydrophobicContact CB-CB 3.65Å; T110-A114 PolarHBondContact O-N 3.2Å; T110-A114 VanDerWaalsContact O-N 3.13Å; A111-A114 PolarHBondContact O-N 2.84Å |
| 115 | H | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 7% | 0.069 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.5 | -178.1 | -64 | -43.4 | 0 | 0 | 0 | 113.9 | L82 A83 S85 K89 L92 K93 A111 L112 L113 I117 | L82-H115 PolarHBondContact O-NE2 2.79Å; A83-H115 PolarHBondContact O-CE1 2.87Å; A83-H115 PolarHBondContact O-NE2 2.87Å; S85-H115 PolarHBondContact O-CE1 3.48Å; K89-H115 HydrophobicContact CB-CB 4.49Å; K89-H115 WeakPolarHBondContact CB-ND1 3.07Å; K89-H115 HydrophobicContact CG-CB 4.11Å; L92-H115 HydrophobicContact CD1-CB 4.45Å; K93-H115 WeakPolarHBondContact CE-O 3.27Å; K93-H115 PolarHBondContact NZ-O 3.36Å; A111-H115 WeakPolarHBondContact O-CB 3.21Å; A111-H115 PolarHBondContact O-CD2 3.19Å; A111-H115 PolarHBondContact O-N 3.41Å; A111-H115 VanDerWaalsContact O-N 3.1Å; L112-H115 CarbonylContact O-C 3.6Å; L112-H115 PolarHBondContact O-N 3.3Å; L113-H115 PolarHBondContact O-N 3.42Å; H115-I117 HydrophobicContact CB-CG1 3.84Å |
| 116 | G | 98.6 | Very high | 98.7 | Very high | 22 Ų | 22 | 20.8 Ų | 20.8 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 48.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K93 L112 L113 | K93-G116 PolarHBondContact NZ-O 3.29Å; L112-G116 PolarHBondContact O-N 3.3Å; L113-G116 PolarHBondContact O-N 3.31Å; L113-G116 VanDerWaalsContact O-N 3.13Å |
| 117 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -105.4 | 130.5 | -176.6 | -58.8 | -65.7 | 0 | 0 | 0 | 109.7 | L92 K93 D96 I102 L112 H115 Y119 Y139 Y152 | L92-I117 HydrophobicContact CB-CD1 3.89Å; L92-I117 HydrophobicContact CB-CG1 3.93Å; L92-I117 HydrophobicContact CD1-CG1 4.33Å; K93-I117 HydrophobicContact CD-CD1 3.67Å; K93-I117 HydrophobicContact CG-CD1 4.03Å; D96-I117 HydrophobicContact CB-CD1 4.39Å; D96-I117 HydrophobicContact CB-CG2 4.47Å; I102-I117 HydrophobicContact CD1-CG2 3.86Å; L112-I117 HydrophobicContact CB-CB 4.16Å; L112-I117 HydrophobicContact CD2-CB 4.3Å; L112-I117 HydrophobicContact CD2-CG2 4.13Å; L112-I117 PolarHBondContact O-N 3.26Å; H115-I117 HydrophobicContact CB-CG1 3.84Å; I117-Y119 PolarHBondContact O-N 2.78Å; I117-Y139 WeakPolarHBondContact O-CE1 3.49Å; I117-Y139 PolarHBondContact O-OH 3.42Å; I117-Y152 HydrophobicContact CG2-CE1 3.83Å | ||
| 118 | G | 98 | Very high | 98.7 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 67.2 | 28.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | G120 S121 Y139 Y152 | G118-G120 PolarHBondContact O-N 2.81Å; G118-S121 WeakPolarHBondContact O-CB 3.49Å; G118-S121 PolarHBondContact O-N 2.75Å; G118-S121 VanDerWaalsContact O-N 3.11Å; G118-S121 PolarHBondContact O-OG 3.07Å; G118-Y139 VanDerWaalsContact O-CE1 3.26Å; G118-Y139 WeakPolarHBondContact O-CE1 3.48Å; G118-Y152 WeakPolarHBondContact CA-OH 3.45Å; G118-Y152 PolarHBondContact N-OH 2.95Å |
| 119 | Y | 98.5 | Very high | 98.6 | Very high | 111 Ų | 111 | 27.7 Ų | 27.7 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 137.7 | 173.3 | -73 | 1 | 0 | 0 | 0 | 111.6 | L113 I117 S121 H138 Y139 | L113-Y119 HydrophobicContact CD1-CE1 4.33Å; L113-Y119 PolarHBondContact O-OH 3.43Å; I117-Y119 PolarHBondContact O-N 2.78Å; Y119-S121 VanDerWaalsContact C-N 3.35Å; Y119-H138 CarbonylContact C-O 3.58Å; Y119-H138 WeakPolarHBondContact CA-O 3.46Å; Y119-H138 HydrophobicContact CD1-CB 3.67Å; Y119-H138 HydrophobicContact CD2-CB 4.23Å; Y119-H138 AromaticContact CD2-ND1 3.87Å; Y119-H138 HydrophobicContact CE1-CB 3.69Å; Y119-H138 AromaticContact CE1-CG 3.85Å; Y119-H138 HydrophobicContact CE2-CB 4.25Å; Y119-H138 AromaticContact CE2-CD2 3.99Å; Y119-H138 AromaticContact CE2-CE1 3.87Å; Y119-H138 AromaticContact CE2-CG 3.71Å; Y119-H138 AromaticContact CE2-ND1 3.63Å; Y119-H138 HydrophobicContact CG-CB 3.94Å; Y119-H138 AromaticContact CZ-CD2 3.58Å; Y119-H138 AromaticContact CZ-CG 3.58Å; Y119-H138 AromaticContact CZ-ND1 3.99Å; Y119-H138 AromaticContact CZ-NE2 3.99Å; Y119-H138 PolarHBondContact OH-CD2 3.32Å; Y119-Y139 HydrophobicContact CD1-CE1 4.14Å; Y119-Y139 HydrophobicContact CD1-CE2 4.03Å; Y119-Y139 AromaticContact CD1-CZ 3.63Å; Y119-Y139 WeakPolarHBondContact CD1-OH 3.33Å; Y119-Y139 AromaticContact CE1-CE2 3.98Å; Y119-Y139 HydrophobicContact CE1-CE2 3.98Å; Y119-Y139 AromaticContact CE1-CZ 3.86Å; Y119-Y139 WeakPolarHBondContact CE1-OH 3.41Å |
| 120 | G | 98.4 | Very high | 98.6 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -15 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G118 H138 | G118-G120 PolarHBondContact O-N 2.81Å; G120-H138 PolarHBondContact N-O 2.96Å |
| 121 | S | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | trans | -74.2 | 156.8 | -178.4 | -50 | 0 | 0 | 0 | 0 | 112.6 | G118 Y119 Y139 K140 Y152 | G118-S121 WeakPolarHBondContact O-CB 3.49Å; G118-S121 PolarHBondContact O-N 2.75Å; G118-S121 VanDerWaalsContact O-N 3.11Å; G118-S121 PolarHBondContact O-OG 3.07Å; Y119-S121 VanDerWaalsContact C-N 3.35Å; S121-Y139 WeakPolarHBondContact O-CA 3.39Å; S121-K140 PolarHBondContact O-N 2.63Å; S121-Y152 VanDerWaalsContact OG-CD2 3.27Å; S121-Y152 WeakPolarHBondContact OG-CD2 3.33Å; S121-Y152 VanDerWaalsContact OG-CE2 3.29Å; S121-Y152 WeakPolarHBondContact OG-CE2 3.38Å | ||
| 122 | T | 98.9 | Very high | 98.5 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 20% | 0.202 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.4 | 169.5 | -47.7 | 0 | 0 | 0 | 0 | 109.8 | K140 Q147 D149 | T122-K140 CarbonylContact C-O 3.56Å; T122-K140 WeakPolarHBondContact CA-O 3.29Å; T122-K140 HydrophobicContact CG2-CB 4.27Å; T122-Q147 HydrophobicContact CG2-CG 4.03Å; T122-Q147 VanDerWaalsContact O-CG 3.26Å; T122-Q147 WeakPolarHBondContact O-CG 3.44Å; T122-D149 WeakPolarHBondContact CB-OD2 3.02Å; T122-D149 PolarHBondContact N-OD2 3.28Å; T122-D149 PolarHBondContact OG1-OD2 3.17Å |
| 123 | V | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 157.2 | -175.8 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | M133 Y139 K140 Y141 S142 T154 | V123-M133 HydrophobicContact CB-CE 4.34Å; V123-M133 HydrophobicContact CG1-CE 4.29Å; V123-M133 HydrophobicContact CG2-CE 3.79Å; V123-M133 HydrophobicContact CG2-CG 4.08Å; V123-Y139 HydrophobicContact CG1-CD1 3.77Å; V123-Y139 HydrophobicContact CG1-CE1 4.31Å; V123-Y139 HydrophobicContact CG1-CG 4.38Å; V123-Y139 HydrophobicContact CG2-CD1 4.33Å; V123-Y139 HydrophobicContact CG2-CG 4.1Å; V123-K140 PolarHBondContact N-O 3.36Å; V123-Y141 CarbonylContact O-C 3.58Å; V123-S142 PolarHBondContact O-N 2.99Å; V123-T154 WeakPolarHBondContact CA-OG1 3.43Å; V123-T154 HydrophobicContact CB-CG2 4.2Å; V123-T154 HydrophobicContact CG1-CG2 4.24Å |
| 124 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -123.3 | 160.7 | 165 | -162.4 | 0 | 0 | 0 | 0 | 110.5 | S142 A144 Q147 T154 R156 | T124-S142 WeakPolarHBondContact CB-O 3.27Å; T124-S142 PolarHBondContact OG1-O 3.38Å; T124-A144 WeakPolarHBondContact CG2-O 3.13Å; T124-A144 PolarHBondContact OG1-O 3.41Å; T124-Q147 HydrophobicContact CG2-CB 3.93Å; T124-T154 PolarHBondContact N-OG1 3.27Å; T124-T154 WeakPolarHBondContact O-CB 3.29Å; T124-R156 HydrophobicContact CG2-CG 3.76Å; T124-R156 WeakPolarHBondContact OG1-CD 3.26Å; T124-R156 WeakPolarHBondContact OG1-CG 3.35Å; T124-R156 PolarHBondContact OG1-NE 2.74Å | ||
| 125 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -145 | 175 | 177.1 | 63 | 0 | 0 | 0 | 0 | 110.3 | C106 P109 M133 Y141 R156 | C106-T125 WeakPolarHBondContact O-CB 3.45Å; P109-T125 HydrophobicContact CB-CG2 3.81Å; P109-T125 HydrophobicContact CG-CG2 4.02Å; T125-M133 HydrophobicContact CG2-CB 3.84Å; T125-M133 HydrophobicContact CG2-CG 3.68Å; T125-M133 HydrophobicContact CG2-SD 4.31Å; T125-Y141 HydrophobicContact CG2-CE2 4.3Å; T125-Y141 PolarHBondContact N-OH 3.05Å; T125-Y141 PolarHBondContact O-OH 2.7Å; T125-Y141 WeakPolarHBondContact OG1-CE2 3.22Å; T125-Y141 PolarHBondContact OG1-OH 3.05Å; T125-R156 PolarHBondContact O-NE 3.02Å | ||
| 126 | H | 98.8 | Very high | 98.3 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 38% | 0.375 | 29% | 0.286 | S | S | . | . | trans | -55.3 | 137 | 160.8 | -173.2 | -91 | 0 | 0 | 0 | 109.6 | C106 G128 M129 K130 R156 | C106-H126 HydrophobicContact CB-CB 4.34Å; C106-H126 PolarHBondContact O-N 3.37Å; H126-G128 PolarHBondContact ND1-N 3.41Å; H126-G128 VanDerWaalsContact ND1-N 3.17Å; H126-G128 PolarHBondContact O-N 3.47Å; H126-G128 VanDerWaalsContact O-N 3.11Å; H126-M129 HydrophobicContact CB-CG 4.31Å; H126-M129 WeakPolarHBondContact O-CA 3.43Å; H126-M129 WeakPolarHBondContact O-CB 3.24Å; H126-M129 PolarHBondContact O-N 3.13Å; H126-K130 PolarHBondContact O-N 2.9Å; H126-R156 WeakPolarHBondContact CA-O 3.38Å; H126-R156 VanDerWaalsContact CB-O 3.22Å; H126-R156 WeakPolarHBondContact CB-O 3.48Å; H126-R156 PolarHBondContact N-O 3.36Å | ||
| 127 | P | 98.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 54.1 Ų | 54.1 | 49% | 0.494 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -49.4 | -43.2 | -177.5 | -27.9 | 32.1 | 0 | 0 | 0 | 113.7 | M129 K130 | P127-M129 PolarHBondContact O-N 2.87Å; P127-M129 VanDerWaalsContact O-N 3.13Å; P127-K130 VanDerWaalsContact O-CB 3.29Å; P127-K130 WeakPolarHBondContact O-CB 3.41Å; P127-K130 PolarHBondContact O-N 3.45Å; P127-K130 VanDerWaalsContact O-N 3.12Å |
| 128 | G | 98.1 | Very high | 98.2 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -65.4 | -12.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H126 | H126-G128 PolarHBondContact ND1-N 3.41Å; H126-G128 VanDerWaalsContact ND1-N 3.17Å; H126-G128 PolarHBondContact O-N 3.47Å; H126-G128 VanDerWaalsContact O-N 3.11Å |
| 129 | M | 98.2 | Very high | 98.2 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 15% | 0.148 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -103.5 | 0.1 | 177.4 | -63 | -64.4 | 117.3 | 0 | 0 | 112.7 | M76 A107 T110 H126 P127 K132 M133 | M76-M129 HydrophobicContact CG-CE 3.85Å; M76-M129 HydrophobicContact CG-SD 4.45Å; M76-M129 HydrophobicContact SD-CE 3.55Å; M76-M129 VanDerWaalsContact SD-CE 3.55Å; A107-M129 HydrophobicContact CB-CG 3.82Å; A107-M129 HydrophobicContact CB-SD 4.12Å; T110-M129 HydrophobicContact CG2-CB 4.3Å; H126-M129 HydrophobicContact CB-CG 4.31Å; H126-M129 WeakPolarHBondContact O-CA 3.43Å; H126-M129 WeakPolarHBondContact O-CB 3.24Å; H126-M129 PolarHBondContact O-N 3.13Å; P127-M129 PolarHBondContact O-N 2.87Å; P127-M129 VanDerWaalsContact O-N 3.13Å; M129-K132 PolarHBondContact O-N 3.24Å; M129-M133 WeakPolarHBondContact O-CB 3.45Å; M129-M133 PolarHBondContact O-N 3.39Å |
| 130 | K | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 59 Ų | 59 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.3 | -54.1 | -179.5 | 179.1 | 174.8 | -176.9 | 175.9 | 0 | 111.5 | H126 P127 K132 M133 M134 Y141 E143 | H126-K130 PolarHBondContact O-N 2.9Å; P127-K130 VanDerWaalsContact O-CB 3.29Å; P127-K130 WeakPolarHBondContact O-CB 3.41Å; P127-K130 PolarHBondContact O-N 3.45Å; P127-K130 VanDerWaalsContact O-N 3.12Å; K130-K132 VanDerWaalsContact C-N 3.33Å; K130-K132 PolarHBondContact O-N 3.19Å; K130-M133 PolarHBondContact O-N 3.16Å; K130-M133 VanDerWaalsContact O-N 3.13Å; K130-M134 HydrophobicContact CG-CG 4.38Å; K130-M134 VanDerWaalsContact O-CG 3.27Å; K130-M134 WeakPolarHBondContact O-CG 3.23Å; K130-M134 PolarHBondContact O-N 2.96Å; K130-Y141 HydrophobicContact CB-CE1 4.33Å; K130-Y141 HydrophobicContact CB-CE2 3.97Å; K130-Y141 HydrophobicContact CD-CD1 3.86Å; K130-Y141 HydrophobicContact CD-CE1 3.56Å; K130-Y141 HydrophobicContact CD-CE2 4.42Å; K130-Y141 HydrophobicContact CD-CG 4.4Å; K130-Y141 HydrophobicContact CG-CD1 4.1Å; K130-Y141 HydrophobicContact CG-CD2 4.01Å; K130-Y141 HydrophobicContact CG-CE1 3.8Å; K130-Y141 HydrophobicContact CG-CE2 3.72Å; K130-Y141 HydrophobicContact CG-CG 4.19Å; K130-E143 IonicContact NZ-OE1 3.6Å |
| 131 | E | 97.9 | Very high | 98.3 | Very high | 171 Ų | 171 | 58.8 Ų | 58.8 | 80% | 0.799 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.6 | -46.3 | -178 | -66.8 | -179.5 | 178.7 | 0 | 0 | 111.8 | M133 M134 V135 | E131-M133 PolarHBondContact O-N 2.9Å; E131-M134 PolarHBondContact O-N 3.12Å; E131-V135 WeakPolarHBondContact O-CG2 3.38Å; E131-V135 PolarHBondContact O-N 2.92Å |
| 132 | K | 97.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.9 | -176.6 | 174.5 | 179.6 | -175.6 | 0 | 112.3 | T110 L113 M129 K130 M134 | T110-K132 HydrophobicContact CG2-CD 4.08Å; T110-K132 HydrophobicContact CG2-CG 4.21Å; L113-K132 WeakPolarHBondContact CD2-O 3.41Å; M129-K132 PolarHBondContact O-N 3.24Å; K130-K132 VanDerWaalsContact C-N 3.33Å; K130-K132 PolarHBondContact O-N 3.19Å; K132-M134 VanDerWaalsContact C-N 3.29Å; K132-M134 PolarHBondContact O-N 2.81Å |
| 133 | M | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -30.8 | -178.7 | -171 | 63.1 | -173.3 | 0 | 0 | 112.7 | P109 T110 L113 V123 T125 M129 K130 E131 Y139 | P109-M133 HydrophobicContact CB-CE 4.05Å; P109-M133 HydrophobicContact CB-SD 4.06Å; P109-M133 WeakPolarHBondContact O-CE 3.15Å; P109-M133 VanDerWaalsContact O-SD 3.37Å; T110-M133 HydrophobicContact CG2-SD 4.48Å; L113-M133 HydrophobicContact CB-SD 4.1Å; V123-M133 HydrophobicContact CB-CE 4.34Å; V123-M133 HydrophobicContact CG1-CE 4.29Å; V123-M133 HydrophobicContact CG2-CE 3.79Å; V123-M133 HydrophobicContact CG2-CG 4.08Å; T125-M133 HydrophobicContact CG2-CB 3.84Å; T125-M133 HydrophobicContact CG2-CG 3.68Å; T125-M133 HydrophobicContact CG2-SD 4.31Å; M129-M133 WeakPolarHBondContact O-CB 3.45Å; M129-M133 PolarHBondContact O-N 3.39Å; K130-M133 PolarHBondContact O-N 3.16Å; K130-M133 VanDerWaalsContact O-N 3.13Å; E131-M133 PolarHBondContact O-N 2.9Å; M133-Y139 HydrophobicContact CE-CD1 4.14Å; M133-Y139 HydrophobicContact CE-CD2 3.59Å; M133-Y139 HydrophobicContact CE-CE1 4.01Å; M133-Y139 HydrophobicContact CE-CE2 3.45Å; M133-Y139 VanDerWaalsContact CE-CE2 3.45Å; M133-Y139 HydrophobicContact CE-CG 3.94Å; M133-Y139 HydrophobicContact SD-CE2 4.4Å |
| 134 | M | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 65.8 Ų | 65.8 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.5 | -175.4 | -61.7 | -53.7 | -60.2 | 0 | 0 | 113.9 | K130 E131 K132 G136 D137 Y139 Y141 | K130-M134 HydrophobicContact CG-CG 4.38Å; K130-M134 VanDerWaalsContact O-CG 3.27Å; K130-M134 WeakPolarHBondContact O-CG 3.23Å; K130-M134 PolarHBondContact O-N 2.96Å; E131-M134 PolarHBondContact O-N 3.12Å; K132-M134 VanDerWaalsContact C-N 3.29Å; K132-M134 PolarHBondContact O-N 2.81Å; M134-G136 PolarHBondContact O-N 3.19Å; M134-D137 PolarHBondContact O-N 2.91Å; M134-D137 VanDerWaalsContact O-N 3.16Å; M134-Y139 WeakPolarHBondContact CE-O 3.16Å; M134-Y141 HydrophobicContact CG-CD2 4.03Å; M134-Y141 HydrophobicContact CG-CG 4.49Å; M134-Y141 HydrophobicContact SD-CD2 3.7Å; M134-Y141 HydrophobicContact SD-CG 4.16Å |
| 135 | V | 97.5 | Very high | 98.3 | Very high | 95 Ų | 95 | 71.5 Ų | 71.5 | 58% | 0.576 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -57.9 | 127.6 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | E131 D137 | E131-V135 WeakPolarHBondContact O-CG2 3.38Å; E131-V135 PolarHBondContact O-N 2.92Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 2.9Å |
| 136 | G | 97 | Very high | 98.3 | Very high | 51 Ų | 51 | 73 Ų | 73 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | 80.3 | 5.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M134 H138 | M134-G136 PolarHBondContact O-N 3.19Å; G136-H138 PolarHBondContact O-N 2.82Å; G136-H138 VanDerWaalsContact O-N 3.11Å; G136-H138 PolarHBondContact O-ND1 2.8Å |
| 137 | D | 96.6 | Very high | 98.3 | Very high | 140 Ų | 140 | 71 Ų | 71 | 75% | 0.749 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | 53 | 32.9 | 176.3 | -62.2 | -46 | 0 | 0 | 0 | 114.1 | M134 V135 Y139 | M134-D137 PolarHBondContact O-N 2.91Å; M134-D137 VanDerWaalsContact O-N 3.16Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 2.9Å; D137-Y139 VanDerWaalsContact C-N 3.3Å; D137-Y139 PolarHBondContact O-N 2.87Å |
| 138 | H | 98.4 | Very high | 98.3 | Very high | 73 Ų | 73 | 71.4 Ų | 71.4 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | trans | -76 | -14.1 | -178.4 | -64.4 | -49.1 | 0 | 0 | 0 | 114.2 | Y119 G120 G136 | Y119-H138 CarbonylContact C-O 3.58Å; Y119-H138 WeakPolarHBondContact CA-O 3.46Å; Y119-H138 HydrophobicContact CD1-CB 3.67Å; Y119-H138 HydrophobicContact CD2-CB 4.23Å; Y119-H138 AromaticContact CD2-ND1 3.87Å; Y119-H138 HydrophobicContact CE1-CB 3.69Å; Y119-H138 AromaticContact CE1-CG 3.85Å; Y119-H138 HydrophobicContact CE2-CB 4.25Å; Y119-H138 AromaticContact CE2-CD2 3.99Å; Y119-H138 AromaticContact CE2-CE1 3.87Å; Y119-H138 AromaticContact CE2-CG 3.71Å; Y119-H138 AromaticContact CE2-ND1 3.63Å; Y119-H138 HydrophobicContact CG-CB 3.94Å; Y119-H138 AromaticContact CZ-CD2 3.58Å; Y119-H138 AromaticContact CZ-CG 3.58Å; Y119-H138 AromaticContact CZ-ND1 3.99Å; Y119-H138 AromaticContact CZ-NE2 3.99Å; Y119-H138 PolarHBondContact OH-CD2 3.32Å; G120-H138 PolarHBondContact N-O 2.96Å; G136-H138 PolarHBondContact O-N 2.82Å; G136-H138 VanDerWaalsContact O-N 3.11Å; G136-H138 PolarHBondContact O-ND1 2.8Å | ||
| 139 | Y | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -133.7 | 165 | -175.9 | -57.9 | -83.9 | 0 | 0 | 0 | 111.3 | L112 L113 I117 G118 Y119 S121 V123 M133 M134 D137 | L112-Y139 VanDerWaalsContact C-OH 3.26Å; L112-Y139 PolarHBondContact O-OH 3.15Å; L113-Y139 WeakPolarHBondContact CA-OH 3.46Å; L113-Y139 HydrophobicContact CB-CE2 3.97Å; L113-Y139 HydrophobicContact CD1-CE2 3.9Å; L113-Y139 PolarHBondContact N-OH 2.82Å; I117-Y139 WeakPolarHBondContact O-CE1 3.49Å; I117-Y139 PolarHBondContact O-OH 3.42Å; G118-Y139 VanDerWaalsContact O-CE1 3.26Å; G118-Y139 WeakPolarHBondContact O-CE1 3.48Å; Y119-Y139 HydrophobicContact CD1-CE1 4.14Å; Y119-Y139 HydrophobicContact CD1-CE2 4.03Å; Y119-Y139 AromaticContact CD1-CZ 3.63Å; Y119-Y139 WeakPolarHBondContact CD1-OH 3.33Å; Y119-Y139 AromaticContact CE1-CE2 3.98Å; Y119-Y139 HydrophobicContact CE1-CE2 3.98Å; Y119-Y139 AromaticContact CE1-CZ 3.86Å; Y119-Y139 WeakPolarHBondContact CE1-OH 3.41Å; S121-Y139 WeakPolarHBondContact O-CA 3.39Å; V123-Y139 HydrophobicContact CG1-CD1 3.77Å; V123-Y139 HydrophobicContact CG1-CE1 4.31Å; V123-Y139 HydrophobicContact CG1-CG 4.38Å; V123-Y139 HydrophobicContact CG2-CD1 4.33Å; V123-Y139 HydrophobicContact CG2-CG 4.1Å; M133-Y139 HydrophobicContact CE-CD1 4.14Å; M133-Y139 HydrophobicContact CE-CD2 3.59Å; M133-Y139 HydrophobicContact CE-CE1 4.01Å; M133-Y139 HydrophobicContact CE-CE2 3.45Å; M133-Y139 VanDerWaalsContact CE-CE2 3.45Å; M133-Y139 HydrophobicContact CE-CG 3.94Å; M133-Y139 HydrophobicContact SD-CE2 4.4Å; M134-Y139 WeakPolarHBondContact CE-O 3.16Å; D137-Y139 VanDerWaalsContact C-N 3.3Å; D137-Y139 PolarHBondContact O-N 2.87Å |
| 140 | K | 98.8 | Very high | 98.3 | Very high | 136 Ų | 136 | 72.7 Ų | 72.7 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.9 | 164.8 | -62.1 | 170.8 | -173 | 166.9 | 0 | 109 | S121 T122 V123 | S121-K140 PolarHBondContact O-N 2.63Å; T122-K140 CarbonylContact C-O 3.56Å; T122-K140 WeakPolarHBondContact CA-O 3.29Å; T122-K140 HydrophobicContact CG2-CB 4.27Å; V123-K140 PolarHBondContact N-O 3.36Å |
| 141 | Y | 98.8 | Very high | 98.3 | Very high | 45 Ų | 45 | 70.7 Ų | 70.7 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.3 | -178.3 | -157.6 | -99.3 | 0 | 0 | 0 | 112.5 | V123 T125 K130 M134 E143 | V123-Y141 CarbonylContact O-C 3.58Å; T125-Y141 HydrophobicContact CG2-CE2 4.3Å; T125-Y141 PolarHBondContact N-OH 3.05Å; T125-Y141 PolarHBondContact O-OH 2.7Å; T125-Y141 WeakPolarHBondContact OG1-CE2 3.22Å; T125-Y141 PolarHBondContact OG1-OH 3.05Å; K130-Y141 HydrophobicContact CB-CE1 4.33Å; K130-Y141 HydrophobicContact CB-CE2 3.97Å; K130-Y141 HydrophobicContact CD-CD1 3.86Å; K130-Y141 HydrophobicContact CD-CE1 3.56Å; K130-Y141 HydrophobicContact CD-CE2 4.42Å; K130-Y141 HydrophobicContact CD-CG 4.4Å; K130-Y141 HydrophobicContact CG-CD1 4.1Å; K130-Y141 HydrophobicContact CG-CD2 4.01Å; K130-Y141 HydrophobicContact CG-CE1 3.8Å; K130-Y141 HydrophobicContact CG-CE2 3.72Å; K130-Y141 HydrophobicContact CG-CG 4.19Å; M134-Y141 HydrophobicContact CG-CD2 4.03Å; M134-Y141 HydrophobicContact CG-CG 4.49Å; M134-Y141 HydrophobicContact SD-CD2 3.7Å; M134-Y141 HydrophobicContact SD-CG 4.16Å; Y141-E143 HydrophobicContact CD1-CG 4.44Å; Y141-E143 HydrophobicContact CE1-CG 4.27Å |
| 142 | S | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | trans | -123.4 | 142.9 | 173.1 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | V123 T124 A144 Q147 | V123-S142 PolarHBondContact O-N 2.99Å; T124-S142 WeakPolarHBondContact CB-O 3.27Å; T124-S142 PolarHBondContact OG1-O 3.38Å; S142-A144 VanDerWaalsContact OG-CB 3.26Å; S142-A144 WeakPolarHBondContact OG-CB 3.48Å; S142-A144 PolarHBondContact OG-N 3.05Å; S142-A144 VanDerWaalsContact OG-N 3.17Å; S142-Q147 PolarHBondContact OG-OE1 3.16Å | ||
| 143 | E | 98.7 | Very high | 98.4 | Very high | 131 Ų | 131 | 58.9 Ų | 58.9 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | trans | -93.8 | 2.3 | 172.6 | -61.7 | -165.8 | 169.1 | 0 | 0 | 113.1 | K130 Y141 R156 | K130-E143 IonicContact NZ-OE1 3.6Å; Y141-E143 HydrophobicContact CD1-CG 4.44Å; Y141-E143 HydrophobicContact CE1-CG 4.27Å; E143-R156 PolarHBondContact O-NH1 3.23Å | ||
| 144 | A | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -55.3 | 143.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T124 S142 V146 R156 | T124-A144 WeakPolarHBondContact CG2-O 3.13Å; T124-A144 PolarHBondContact OG1-O 3.41Å; S142-A144 VanDerWaalsContact OG-CB 3.26Å; S142-A144 WeakPolarHBondContact OG-CB 3.48Å; S142-A144 PolarHBondContact OG-N 3.05Å; S142-A144 VanDerWaalsContact OG-N 3.17Å; A144-V146 VanDerWaalsContact C-N 3.26Å; A144-V146 WeakPolarHBondContact CB-O 3.38Å; A144-V146 PolarHBondContact O-N 3.42Å; A144-R156 VanDerWaalsContact O-CD 3.31Å; A144-R156 WeakPolarHBondContact O-CD 3.5Å; A144-R156 WeakPolarHBondContact O-CG 3.26Å |
| 145 | R | 98.8 | Very high | 98.5 | Very high | 119 Ų | 119 | 57 Ų | 57 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -60.8 | -38.3 | 180 | -69.4 | 178.2 | 60.9 | 75.6 | -0.1 | 112.2 | S155 R156 G159 T160 E163 | R145-S155 PolarHBondContact O-OG 2.97Å; R145-S155 VanDerWaalsContact O-OG 3.05Å; R145-R156 PolarHBondContact O-N 2.94Å; R145-G159 PolarHBondContact NH2-O 3.07Å; R145-T160 HydrophobicContact CB-CG2 3.84Å; R145-T160 HydrophobicContact CG-CG2 4.17Å; R145-E163 WeakPolarHBondContact CB-OE2 3.37Å; R145-E163 WeakPolarHBondContact CD-OE2 3.47Å; R145-E163 IonicContact CZ-OE1 2.63Å; R145-E163 VanDerWaalsContact CZ-OE1 3.26Å; R145-E163 IonicContact CZ-OE2 3.69Å; R145-E163 VanDerWaalsContact NE-CD 3.31Å; R145-E163 IonicContact NE-OE1 3.76Å; R145-E163 PolarHBondContact NE-OE1 3.2Å; R145-E163 VanDerWaalsContact NE-OE1 3.07Å; R145-E163 IonicContact NE-OE2 3.26Å; R145-E163 PolarHBondContact NE-OE2 3.25Å; R145-E163 IonicContact NH2-OE1 3.07Å; R145-E163 PolarHBondContact NH2-OE1 2.97Å; R145-E163 IonicContact NH2-OE2 2.75Å |
| 146 | V | 98.9 | Very high | 98.6 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.8 | 169 | -175 | 0 | 0 | 0 | 0 | 107.4 | A144 I153 T154 E163 F164 T167 | A144-V146 VanDerWaalsContact C-N 3.26Å; A144-V146 WeakPolarHBondContact CB-O 3.38Å; A144-V146 PolarHBondContact O-N 3.42Å; V146-I153 HydrophobicContact CG1-CG2 3.85Å; V146-T154 CarbonylContact C-O 3.49Å; V146-T154 WeakPolarHBondContact CA-O 3.08Å; V146-E163 HydrophobicContact CG2-CB 3.69Å; V146-F164 HydrophobicContact CG2-CB 4.31Å; V146-T167 HydrophobicContact CG1-CG2 4.09Å |
| 147 | Q | 98.9 | Very high | 98.6 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.8 | 177.7 | 177.8 | 64.6 | 54 | 0 | 0 | 108.9 | T122 T124 S142 I153 T154 | T122-Q147 HydrophobicContact CG2-CG 4.03Å; T122-Q147 VanDerWaalsContact O-CG 3.26Å; T122-Q147 WeakPolarHBondContact O-CG 3.44Å; T124-Q147 HydrophobicContact CG2-CB 3.93Å; S142-Q147 PolarHBondContact OG-OE1 3.16Å; Q147-I153 CarbonylContact O-C 3.51Å; Q147-I153 WeakPolarHBondContact O-CA 3.04Å; Q147-T154 PolarHBondContact N-O 3.1Å; Q147-T154 PolarHBondContact O-N 3.35Å; Q147-T154 PolarHBondContact O-OG1 3.08Å |
| 148 | K | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137 | 169.4 | -177.7 | -175.1 | 176.4 | -162.5 | 0 | 109.5 | G150 Y152 I153 E171 | K148-G150 WeakPolarHBondContact CE-O 3.43Å; K148-Y152 WeakPolarHBondContact CA-O 3.13Å; K148-I153 HydrophobicContact CB-CG1 4.34Å; K148-I153 HydrophobicContact CG-CG1 4.06Å; K148-E171 WeakPolarHBondContact CE-OE1 3.42Å; K148-E171 WeakPolarHBondContact CE-OE2 3.46Å; K148-E171 IonicContact NZ-OE1 2.78Å; K148-E171 PolarHBondContact NZ-OE1 2.82Å; K148-E171 IonicContact NZ-OE2 3.64Å; K148-E171 PolarHBondContact NZ-OE2 3.06Å |
| 149 | D | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 33% | 0.326 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 111.1 | 169.5 | -165.9 | -11.2 | 0 | 0 | 0 | 108.3 | T122 H151 Y152 | T122-D149 WeakPolarHBondContact CB-OD2 3.02Å; T122-D149 PolarHBondContact N-OD2 3.28Å; T122-D149 PolarHBondContact OG1-OD2 3.17Å; D149-H151 PolarHBondContact O-N 3.39Å; D149-Y152 PolarHBondContact N-O 3.18Å; D149-Y152 WeakPolarHBondContact O-CD2 3.05Å; D149-Y152 PolarHBondContact O-N 3.35Å |
| 150 | G | 98.1 | Very high | 98.8 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -125.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K148 Y152 | K148-G150 WeakPolarHBondContact CE-O 3.43Å; G150-Y152 VanDerWaalsContact C-N 3.35Å |
| 151 | H | 98.5 | Very high | 98.8 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 19% | 0.185 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 18.8 | 177.5 | 61.6 | -76.9 | 0 | 0 | 0 | 113.5 | D96 G100 L101 I102 D149 | D96-H151 IonicContact OD1-CD2 2.83Å; D96-H151 IonicContact OD1-CE1 3.01Å; D96-H151 IonicContact OD1-NE2 2.57Å; D96-H151 PolarHBondContact OD1-NE2 2.99Å; G100-H151 PolarHBondContact O-CD2 3.38Å; G100-H151 VanDerWaalsContact O-CD2 3.25Å; L101-H151 WeakPolarHBondContact CA-O 3.28Å; L101-H151 WeakPolarHBondContact CD1-O 3.41Å; I102-H151 PolarHBondContact N-O 2.94Å; D149-H151 PolarHBondContact O-N 3.39Å |
| 152 | Y | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.7 | 170.8 | -49.1 | -72.6 | 0 | 0 | 0 | 111 | D96 I102 I117 G118 S121 K148 D149 G150 | D96-Y152 VanDerWaalsContact CG-OH 3.29Å; D96-Y152 WeakPolarHBondContact OD1-CE1 3.43Å; D96-Y152 VanDerWaalsContact OD1-CZ 3.27Å; D96-Y152 PolarHBondContact OD1-OH 3.17Å; D96-Y152 PolarHBondContact OD2-OH 3.01Å; I102-Y152 HydrophobicContact CB-CD1 4.08Å; I102-Y152 HydrophobicContact CD1-CD1 4.43Å; I102-Y152 HydrophobicContact CD1-CE1 4.06Å; I102-Y152 CarbonylContact O-C 3.58Å; I102-Y152 WeakPolarHBondContact O-CA 3.29Å; I117-Y152 HydrophobicContact CG2-CE1 3.83Å; G118-Y152 WeakPolarHBondContact CA-OH 3.45Å; G118-Y152 PolarHBondContact N-OH 2.95Å; S121-Y152 VanDerWaalsContact OG-CD2 3.27Å; S121-Y152 WeakPolarHBondContact OG-CD2 3.33Å; S121-Y152 VanDerWaalsContact OG-CE2 3.29Å; S121-Y152 WeakPolarHBondContact OG-CE2 3.38Å; K148-Y152 WeakPolarHBondContact CA-O 3.13Å; D149-Y152 PolarHBondContact N-O 3.18Å; D149-Y152 WeakPolarHBondContact O-CD2 3.05Å; D149-Y152 PolarHBondContact O-N 3.35Å; G150-Y152 VanDerWaalsContact C-N 3.35Å |
| 153 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.6 | 171 | -59.2 | 174.1 | 0 | 0 | 0 | 108.3 | L101 I102 A103 A104 V146 Q147 K148 F164 T167 I168 | L101-I153 HydrophobicContact CD1-CD1 3.79Å; L101-I153 HydrophobicContact CD1-CG1 3.93Å; L101-I153 HydrophobicContact CD2-CD1 3.9Å; L101-I153 HydrophobicContact CG-CD1 4.19Å; I102-I153 PolarHBondContact O-N 3.37Å; A103-I153 CarbonylContact C-O 3.58Å; A103-I153 VanDerWaalsContact CA-O 3.23Å; A103-I153 WeakPolarHBondContact CA-O 3.37Å; A103-I153 HydrophobicContact CB-CB 4.31Å; A104-I153 PolarHBondContact N-O 3.38Å; V146-I153 HydrophobicContact CG1-CG2 3.85Å; Q147-I153 CarbonylContact O-C 3.51Å; Q147-I153 WeakPolarHBondContact O-CA 3.04Å; K148-I153 HydrophobicContact CB-CG1 4.34Å; K148-I153 HydrophobicContact CG-CG1 4.06Å; I153-F164 HydrophobicContact CB-CE2 4.38Å; I153-F164 HydrophobicContact CG2-CD2 3.73Å; I153-F164 HydrophobicContact CG2-CE2 3.73Å; I153-T167 HydrophobicContact CD1-CG2 4.08Å; I153-T167 HydrophobicContact CG2-CG2 4.27Å; I153-I168 HydrophobicContact CD1-CG1 3.95Å |
| 154 | T | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.4 | 174.3 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | A104 P109 L112 V123 T124 V146 Q147 | A104-T154 CarbonylContact O-C 3.58Å; A104-T154 WeakPolarHBondContact O-CA 3.28Å; P109-T154 HydrophobicContact CB-CG2 4.21Å; P109-T154 HydrophobicContact CG-CG2 3.94Å; L112-T154 HydrophobicContact CD1-CG2 4.5Å; V123-T154 WeakPolarHBondContact CA-OG1 3.43Å; V123-T154 HydrophobicContact CB-CG2 4.2Å; V123-T154 HydrophobicContact CG1-CG2 4.24Å; T124-T154 PolarHBondContact N-OG1 3.27Å; T124-T154 WeakPolarHBondContact O-CB 3.29Å; V146-T154 CarbonylContact C-O 3.49Å; V146-T154 WeakPolarHBondContact CA-O 3.08Å; Q147-T154 PolarHBondContact N-O 3.1Å; Q147-T154 PolarHBondContact O-N 3.35Å; Q147-T154 PolarHBondContact O-OG1 3.08Å |
| 155 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 166.7 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | A104 I105 C106 R145 T160 F164 | A104-S155 PolarHBondContact O-N 3.45Å; A104-S155 VanDerWaalsContact O-N 3.13Å; I105-S155 CarbonylContact C-O 3.58Å; I105-S155 WeakPolarHBondContact CA-O 3.4Å; C106-S155 PolarHBondContact N-O 3.49Å; R145-S155 PolarHBondContact O-OG 2.97Å; R145-S155 VanDerWaalsContact O-OG 3.05Å; S155-T160 VanDerWaalsContact OG-CB 3.24Å; S155-T160 WeakPolarHBondContact OG-CB 3.31Å; S155-T160 PolarHBondContact OG-OG1 3.13Å; S155-F164 VanDerWaalsContact CB-CD2 3.47Å |
| 156 | R | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 17% | 0.17 | 18% | 0.182 | C | C | . | . | trans | -94.6 | -28.3 | -161.4 | -55.1 | -160.6 | 76.5 | 178.4 | 3.5 | 116.6 | C106 T124 T125 H126 E143 A144 R145 T160 | C106-R156 WeakPolarHBondContact CA-O 3.35Å; T124-R156 HydrophobicContact CG2-CG 3.76Å; T124-R156 WeakPolarHBondContact OG1-CD 3.26Å; T124-R156 WeakPolarHBondContact OG1-CG 3.35Å; T124-R156 PolarHBondContact OG1-NE 2.74Å; T125-R156 PolarHBondContact O-NE 3.02Å; H126-R156 WeakPolarHBondContact CA-O 3.38Å; H126-R156 VanDerWaalsContact CB-O 3.22Å; H126-R156 WeakPolarHBondContact CB-O 3.48Å; H126-R156 PolarHBondContact N-O 3.36Å; E143-R156 PolarHBondContact O-NH1 3.23Å; A144-R156 VanDerWaalsContact O-CD 3.31Å; A144-R156 WeakPolarHBondContact O-CD 3.5Å; A144-R156 WeakPolarHBondContact O-CG 3.26Å; R145-R156 PolarHBondContact O-N 2.94Å; R156-T160 HydrophobicContact CB-CG2 4.21Å; R156-T160 PolarHBondContact N-OG1 2.71Å; R156-T160 VanDerWaalsContact N-OG1 3.12Å | ||
| 157 | G | 98.7 | Very high | 98.8 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 171.1 | -171.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I105 G159 T160 S161 | I105-G157 WeakPolarHBondContact CD1-O 3.34Å; G157-G159 PolarHBondContact O-N 2.74Å; G157-G159 VanDerWaalsContact O-N 3.16Å; G157-T160 PolarHBondContact N-OG1 3.11Å; G157-T160 PolarHBondContact O-N 3.2Å; G157-T160 PolarHBondContact O-OG1 3.17Å; G157-S161 PolarHBondContact O-N 2.77Å; G157-S161 PolarHBondContact O-OG 3.33Å |
| 158 | P | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -58.5 | -36.9 | -177.1 | -25.8 | 36.5 | 0 | 0 | 0 | 112.8 | E15 M17 E18 T160 S161 | E15-P158 HydrophobicContact CG-CG 4.14Å; M17-P158 HydrophobicContact CB-CB 4.3Å; M17-P158 HydrophobicContact CE-CB 3.52Å; M17-P158 HydrophobicContact CE-CG 3.89Å; M17-P158 HydrophobicContact SD-CB 4.26Å; E18-P158 HydrophobicContact CG-CB 4.49Å; E18-P158 HydrophobicContact CG-CG 4.17Å; E18-P158 WeakPolarHBondContact OE1-CD 3.15Å; E18-P158 WeakPolarHBondContact OE1-CG 3.5Å; P158-T160 PolarHBondContact O-N 2.78Å; P158-S161 WeakPolarHBondContact CA-OG 3.46Å; P158-S161 WeakPolarHBondContact O-CB 3.47Å; P158-S161 PolarHBondContact O-N 3.45Å; P158-S161 PolarHBondContact O-OG 3.44Å |
| 159 | G | 98.6 | Very high | 98.8 | Very high | 63 Ų | 63 | 25.5 Ų | 25.5 | 65% | 0.649 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -69.3 | -7.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | R145 G157 | R145-G159 PolarHBondContact NH2-O 3.07Å; G157-G159 PolarHBondContact O-N 2.74Å; G157-G159 VanDerWaalsContact O-N 3.16Å |
| 160 | T | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -114.7 | 4.2 | 175.7 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | R145 S155 R156 G157 P158 F162 E163 F164 | R145-T160 HydrophobicContact CB-CG2 3.84Å; R145-T160 HydrophobicContact CG-CG2 4.17Å; S155-T160 VanDerWaalsContact OG-CB 3.24Å; S155-T160 WeakPolarHBondContact OG-CB 3.31Å; S155-T160 PolarHBondContact OG-OG1 3.13Å; R156-T160 HydrophobicContact CB-CG2 4.21Å; R156-T160 PolarHBondContact N-OG1 2.71Å; R156-T160 VanDerWaalsContact N-OG1 3.12Å; G157-T160 PolarHBondContact N-OG1 3.11Å; G157-T160 PolarHBondContact O-N 3.2Å; G157-T160 PolarHBondContact O-OG1 3.17Å; P158-T160 PolarHBondContact O-N 2.78Å; T160-F162 PolarHBondContact O-N 2.96Å; T160-E163 PolarHBondContact O-N 2.62Å; T160-F164 WeakPolarHBondContact O-CB 3.19Å; T160-F164 PolarHBondContact O-N 3.46Å |
| 161 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.9 | -35.2 | -173.2 | -64.2 | 0 | 0 | 0 | 0 | 114 | G157 P158 A165 | G157-S161 PolarHBondContact O-N 2.77Å; G157-S161 PolarHBondContact O-OG 3.33Å; P158-S161 WeakPolarHBondContact CA-OG 3.46Å; P158-S161 WeakPolarHBondContact O-CB 3.47Å; P158-S161 PolarHBondContact O-N 3.45Å; P158-S161 PolarHBondContact O-OG 3.44Å; S161-A165 VanDerWaalsContact O-CB 3.3Å; S161-A165 WeakPolarHBondContact O-CB 3.26Å; S161-A165 PolarHBondContact O-N 3.21Å |
| 162 | F | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 28.5 Ų | 28.5 | 34% | 0.342 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.2 | -47.7 | 176.8 | -74.5 | -80.9 | 0 | 0 | 0 | 112.1 | I21 I25 T160 F164 A165 L166 L185 M187 | I21-F162 HydrophobicContact CD1-CD2 4.2Å; I21-F162 HydrophobicContact CD1-CE2 3.75Å; I21-F162 HydrophobicContact CD1-CZ 4.15Å; I21-F162 HydrophobicContact CG1-CE2 4.23Å; I21-F162 HydrophobicContact CG1-CZ 4.12Å; I21-F162 HydrophobicContact CG2-CD1 3.68Å; I21-F162 HydrophobicContact CG2-CD2 4.12Å; I21-F162 HydrophobicContact CG2-CE1 3.81Å; I21-F162 HydrophobicContact CG2-CE2 4.24Å; I21-F162 HydrophobicContact CG2-CG 3.84Å; I21-F162 HydrophobicContact CG2-CZ 4.09Å; I25-F162 HydrophobicContact CD1-CD1 4.19Å; I25-F162 HydrophobicContact CD1-CE1 4.24Å; I25-F162 HydrophobicContact CG1-CD1 4.2Å; I25-F162 HydrophobicContact CG1-CE1 4.48Å; T160-F162 PolarHBondContact O-N 2.96Å; F162-F164 VanDerWaalsContact C-N 3.29Å; F162-F164 PolarHBondContact O-N 2.67Å; F162-A165 PolarHBondContact O-N 3.4Å; F162-L166 WeakPolarHBondContact O-CB 3.46Å; F162-L166 WeakPolarHBondContact O-CG 3.46Å; F162-L166 PolarHBondContact O-N 3.39Å; F162-L185 HydrophobicContact CD1-CD1 4.17Å; F162-M187 HydrophobicContact CB-CE 3.35Å; F162-M187 HydrophobicContact CB-SD 3.73Å; F162-M187 HydrophobicContact CD1-SD 4.21Å; F162-M187 HydrophobicContact CG-CE 4.12Å; F162-M187 HydrophobicContact CG-SD 4.13Å |
| 163 | E | 98.8 | Very high | 98.8 | Very high | 66 Ų | 66 | 30.5 Ų | 30.5 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.6 | -72.7 | 155.9 | -118.7 | 0 | 0 | 111.3 | R145 V146 T160 L166 T167 | R145-E163 WeakPolarHBondContact CB-OE2 3.37Å; R145-E163 WeakPolarHBondContact CD-OE2 3.47Å; R145-E163 IonicContact CZ-OE1 2.63Å; R145-E163 VanDerWaalsContact CZ-OE1 3.26Å; R145-E163 IonicContact CZ-OE2 3.69Å; R145-E163 VanDerWaalsContact NE-CD 3.31Å; R145-E163 IonicContact NE-OE1 3.76Å; R145-E163 PolarHBondContact NE-OE1 3.2Å; R145-E163 VanDerWaalsContact NE-OE1 3.07Å; R145-E163 IonicContact NE-OE2 3.26Å; R145-E163 PolarHBondContact NE-OE2 3.25Å; R145-E163 IonicContact NH2-OE1 3.07Å; R145-E163 PolarHBondContact NH2-OE1 2.97Å; R145-E163 IonicContact NH2-OE2 2.75Å; V146-E163 HydrophobicContact CG2-CB 3.69Å; T160-E163 PolarHBondContact O-N 2.62Å; E163-L166 PolarHBondContact O-N 3.26Å; E163-T167 WeakPolarHBondContact O-CB 3Å; E163-T167 PolarHBondContact O-N 3.43Å; E163-T167 PolarHBondContact O-OG1 3.33Å |
| 164 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 175.3 | 172.3 | -118 | 0 | 0 | 0 | 112.1 | P22 L71 A103 I105 V146 I153 S155 T160 F162 T167 I168 | P22-F164 HydrophobicContact CG-CD1 4.02Å; P22-F164 HydrophobicContact CG-CE1 4.16Å; L71-F164 HydrophobicContact CD1-CE1 3.83Å; L71-F164 HydrophobicContact CD1-CZ 4.24Å; L71-F164 HydrophobicContact CD2-CE1 4.46Å; L71-F164 HydrophobicContact CG-CE1 4.12Å; L71-F164 HydrophobicContact CG-CZ 4.24Å; A103-F164 HydrophobicContact CB-CE2 3.81Å; A103-F164 HydrophobicContact CB-CZ 3.58Å; I105-F164 HydrophobicContact CB-CD1 4.15Å; I105-F164 HydrophobicContact CB-CE1 3.93Å; I105-F164 HydrophobicContact CB-CZ 4.15Å; I105-F164 HydrophobicContact CD1-CB 4.08Å; I105-F164 HydrophobicContact CD1-CD1 3.78Å; I105-F164 HydrophobicContact CD1-CE1 4.4Å; I105-F164 HydrophobicContact CD1-CG 4.02Å; I105-F164 HydrophobicContact CG2-CD1 4.45Å; I105-F164 HydrophobicContact CG2-CE1 4.03Å; V146-F164 HydrophobicContact CG2-CB 4.31Å; I153-F164 HydrophobicContact CB-CE2 4.38Å; I153-F164 HydrophobicContact CG2-CD2 3.73Å; I153-F164 HydrophobicContact CG2-CE2 3.73Å; S155-F164 VanDerWaalsContact CB-CD2 3.47Å; T160-F164 WeakPolarHBondContact O-CB 3.19Å; T160-F164 PolarHBondContact O-N 3.46Å; F162-F164 VanDerWaalsContact C-N 3.29Å; F162-F164 PolarHBondContact O-N 2.67Å; F164-T167 WeakPolarHBondContact O-CB 3.22Å; F164-T167 PolarHBondContact O-N 3.19Å; F164-I168 HydrophobicContact CD1-CD1 4.27Å; F164-I168 HydrophobicContact CD2-CD1 4.4Å; F164-I168 HydrophobicContact CE1-CD1 3.9Å; F164-I168 HydrophobicContact CE2-CD1 4.04Å; F164-I168 HydrophobicContact CZ-CD1 3.79Å; F164-I168 WeakPolarHBondContact O-CG1 3.42Å; F164-I168 PolarHBondContact O-N 3.01Å; F164-I168 VanDerWaalsContact O-N 3.14Å |
| 165 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P22 I25 S161 F162 T167 I168 V169 | P22-A165 HydrophobicContact CB-CB 4.1Å; P22-A165 HydrophobicContact CG-CB 4.35Å; I25-A165 HydrophobicContact CB-CB 3.73Å; I25-A165 HydrophobicContact CG1-CB 4.12Å; I25-A165 HydrophobicContact CG2-CB 3.69Å; S161-A165 VanDerWaalsContact O-CB 3.3Å; S161-A165 WeakPolarHBondContact O-CB 3.26Å; S161-A165 PolarHBondContact O-N 3.21Å; F162-A165 PolarHBondContact O-N 3.4Å; A165-T167 VanDerWaalsContact C-N 3.31Å; A165-T167 PolarHBondContact O-N 3.13Å; A165-I168 WeakPolarHBondContact O-CB 3.41Å; A165-I168 PolarHBondContact O-N 2.71Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.03Å |
| 166 | L | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -33.9 | 176.2 | -72 | 170.1 | 0 | 0 | 0 | 112.1 | I25 F162 E163 I168 V169 E170 V181 K182 M187 | I25-L166 HydrophobicContact CG2-CD2 4.04Å; I25-L166 HydrophobicContact CG2-CG 4.35Å; F162-L166 WeakPolarHBondContact O-CB 3.46Å; F162-L166 WeakPolarHBondContact O-CG 3.46Å; F162-L166 PolarHBondContact O-N 3.39Å; E163-L166 PolarHBondContact O-N 3.26Å; L166-I168 VanDerWaalsContact C-N 3.33Å; L166-V169 PolarHBondContact O-N 3.31Å; L166-E170 WeakPolarHBondContact O-CB 3.46Å; L166-E170 PolarHBondContact O-N 2.84Å; L166-V181 HydrophobicContact CD2-CB 4.41Å; L166-V181 HydrophobicContact CD2-CG1 4.11Å; L166-K182 HydrophobicContact CD1-CB 3.91Å; L166-K182 HydrophobicContact CD1-CD 4.11Å; L166-K182 HydrophobicContact CD1-CG 3.81Å; L166-K182 HydrophobicContact CD2-CB 4.05Å; L166-M187 HydrophobicContact CD1-CE 4.49Å; L166-M187 HydrophobicContact CD1-SD 3.81Å |
| 167 | T | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 173.4 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | V146 I153 E163 F164 A165 E171 | V146-T167 HydrophobicContact CG1-CG2 4.09Å; I153-T167 HydrophobicContact CD1-CG2 4.08Å; I153-T167 HydrophobicContact CG2-CG2 4.27Å; E163-T167 WeakPolarHBondContact O-CB 3Å; E163-T167 PolarHBondContact O-N 3.43Å; E163-T167 PolarHBondContact O-OG1 3.33Å; F164-T167 WeakPolarHBondContact O-CB 3.22Å; F164-T167 PolarHBondContact O-N 3.19Å; A165-T167 VanDerWaalsContact C-N 3.31Å; A165-T167 PolarHBondContact O-N 3.13Å; T167-E171 PolarHBondContact O-N 2.85Å; T167-E171 VanDerWaalsContact O-N 3.09Å |
| 168 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -44.3 | 173.8 | -63.4 | 162.9 | 0 | 0 | 0 | 110.6 | M26 V69 L71 L101 A103 I153 F164 A165 L166 E171 L172 | M26-I168 HydrophobicContact CG-CG2 4.39Å; M26-I168 HydrophobicContact SD-CG2 3.9Å; V69-I168 HydrophobicContact CG1-CG2 4.17Å; V69-I168 HydrophobicContact CG2-CG2 4.26Å; L71-I168 HydrophobicContact CD1-CD1 3.75Å; L101-I168 HydrophobicContact CD2-CG2 4.23Å; A103-I168 HydrophobicContact CB-CD1 3.64Å; A103-I168 HydrophobicContact CB-CG1 4.02Å; I153-I168 HydrophobicContact CD1-CG1 3.95Å; F164-I168 HydrophobicContact CD1-CD1 4.27Å; F164-I168 HydrophobicContact CD2-CD1 4.4Å; F164-I168 HydrophobicContact CE1-CD1 3.9Å; F164-I168 HydrophobicContact CE2-CD1 4.04Å; F164-I168 HydrophobicContact CZ-CD1 3.79Å; F164-I168 WeakPolarHBondContact O-CG1 3.42Å; F164-I168 PolarHBondContact O-N 3.01Å; F164-I168 VanDerWaalsContact O-N 3.14Å; A165-I168 WeakPolarHBondContact O-CB 3.41Å; A165-I168 PolarHBondContact O-N 2.71Å; L166-I168 VanDerWaalsContact C-N 3.33Å; I168-E171 PolarHBondContact O-N 2.97Å; I168-L172 HydrophobicContact CG2-CD1 4.06Å; I168-L172 WeakPolarHBondContact O-CG 3.46Å; I168-L172 PolarHBondContact O-N 3.43Å; I168-L172 VanDerWaalsContact O-N 3.09Å |
| 169 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | I25 M26 A29 I31 A165 L166 E171 L172 M173 V177 A178 | I25-V169 HydrophobicContact CG2-CG2 3.98Å; M26-V169 HydrophobicContact CG-CG2 4.45Å; A29-V169 HydrophobicContact CB-CB 4.23Å; A29-V169 HydrophobicContact CB-CG1 3.51Å; A29-V169 HydrophobicContact CB-CG2 3.64Å; I31-V169 HydrophobicContact CD1-CG2 4.24Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.03Å; L166-V169 PolarHBondContact O-N 3.31Å; V169-E171 VanDerWaalsContact C-N 3.29Å; V169-E171 PolarHBondContact O-N 3.13Å; V169-L172 PolarHBondContact O-N 3.06Å; V169-M173 HydrophobicContact CG1-CB 4.3Å; V169-M173 HydrophobicContact CG1-CG 4.5Å; V169-M173 WeakPolarHBondContact O-CA 3.47Å; V169-M173 VanDerWaalsContact O-CB 3.28Å; V169-M173 WeakPolarHBondContact O-CB 3.37Å; V169-M173 PolarHBondContact O-N 3.33Å; V169-V177 HydrophobicContact CG1-CG1 4.14Å; V169-A178 HydrophobicContact CG1-CB 4.03Å |
| 170 | E | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58 | -42.9 | 176.8 | 179.6 | 172.6 | 169.4 | 0 | 0 | 111.5 | L166 L172 G174 A175 A178 | L166-E170 WeakPolarHBondContact O-CB 3.46Å; L166-E170 PolarHBondContact O-N 2.84Å; E170-L172 PolarHBondContact O-N 3.11Å; E170-G174 CarbonylContact O-C 3.58Å; E170-G174 WeakPolarHBondContact O-CA 2.79Å; E170-G174 PolarHBondContact O-N 3.48Å; E170-A175 HydrophobicContact CG-CB 4.15Å; E170-A178 HydrophobicContact CB-CB 3.86Å |
| 171 | E | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.5 | -38 | 179.9 | -171 | 63.7 | 175.8 | 0 | 0 | 113.3 | L101 K148 T167 I168 V169 | L101-E171 HydrophobicContact CD1-CG 4.11Å; L101-E171 HydrophobicContact CD2-CB 4.1Å; L101-E171 HydrophobicContact CD2-CG 3.9Å; K148-E171 WeakPolarHBondContact CE-OE1 3.42Å; K148-E171 WeakPolarHBondContact CE-OE2 3.46Å; K148-E171 IonicContact NZ-OE1 2.78Å; K148-E171 PolarHBondContact NZ-OE1 2.82Å; K148-E171 IonicContact NZ-OE2 3.64Å; K148-E171 PolarHBondContact NZ-OE2 3.06Å; T167-E171 PolarHBondContact O-N 2.85Å; T167-E171 VanDerWaalsContact O-N 3.09Å; I168-E171 PolarHBondContact O-N 2.97Å; V169-E171 VanDerWaalsContact C-N 3.29Å; V169-E171 PolarHBondContact O-N 3.13Å |
| 172 | L | 98.4 | Very high | 98.6 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -92.4 | -31.7 | -174 | -65 | -175.8 | 0 | 0 | 0 | 113.7 | K4 I31 D68 V69 L101 I168 V169 E170 | K4-L172 WeakPolarHBondContact CE-O 3.4Å; K4-L172 HydrophobicContact CG-CB 4.31Å; I31-L172 HydrophobicContact CD1-CB 4.38Å; I31-L172 HydrophobicContact CD1-CD1 4.07Å; D68-L172 HydrophobicContact CB-CD1 4.24Å; D68-L172 HydrophobicContact CB-CD2 3.87Å; V69-L172 HydrophobicContact CB-CD1 4.04Å; V69-L172 HydrophobicContact CG1-CD1 3.69Å; L101-L172 HydrophobicContact CD2-CD2 4.12Å; L101-L172 HydrophobicContact CD2-CG 4.18Å; I168-L172 HydrophobicContact CG2-CD1 4.06Å; I168-L172 WeakPolarHBondContact O-CG 3.46Å; I168-L172 PolarHBondContact O-N 3.43Å; I168-L172 VanDerWaalsContact O-N 3.09Å; V169-L172 PolarHBondContact O-N 3.06Å; E170-L172 PolarHBondContact O-N 3.11Å |
| 173 | M | 98.3 | Very high | 98.6 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -122.1 | -8.9 | -169 | -54.1 | -58.9 | -63.2 | 0 | 0 | 113.3 | K4 A29 I31 V169 V177 | K4-M173 HydrophobicContact CB-SD 3.8Å; K4-M173 HydrophobicContact CG-SD 3.44Å; K4-M173 WeakPolarHBondContact CG-SD 3.46Å; A29-M173 HydrophobicContact CB-CG 4.37Å; I31-M173 HydrophobicContact CD1-CG 4.03Å; I31-M173 HydrophobicContact CG1-CG 3.93Å; I31-M173 HydrophobicContact CG1-SD 4.02Å; V169-M173 HydrophobicContact CG1-CB 4.3Å; V169-M173 HydrophobicContact CG1-CG 4.5Å; V169-M173 WeakPolarHBondContact O-CA 3.47Å; V169-M173 VanDerWaalsContact O-CB 3.28Å; V169-M173 WeakPolarHBondContact O-CB 3.37Å; V169-M173 PolarHBondContact O-N 3.33Å; M173-V177 HydrophobicContact CB-CB 3.82Å; M173-V177 HydrophobicContact CB-CG1 3.79Å; M173-V177 HydrophobicContact CB-CG2 4.17Å; M173-V177 HydrophobicContact CG-CG1 4.46Å; M173-V177 WeakPolarHBondContact O-CG2 3.44Å |
| 174 | G | 98.4 | Very high | 98.6 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | trans | 89.5 | 158.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E170 E176 V177 A178 | E170-G174 CarbonylContact O-C 3.58Å; E170-G174 WeakPolarHBondContact O-CA 2.79Å; E170-G174 PolarHBondContact O-N 3.48Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 2.81Å; G174-V177 PolarHBondContact O-N 2.97Å; G174-A178 PolarHBondContact O-N 3.13Å; G174-A178 VanDerWaalsContact O-N 3.12Å | ||
| 175 | A | 98.2 | Very high | 98.5 | Very high | 57 Ų | 57 | 51 Ų | 51 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -31 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E170 A178 A179 | E170-A175 HydrophobicContact CG-CB 4.15Å; A175-A178 PolarHBondContact O-N 3.12Å; A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 3.11Å |
| 176 | E | 98.5 | Very high | 98.5 | Very high | 145 Ų | 145 | 57.4 Ų | 57.4 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.2 | -48 | 177.1 | -172.4 | -178.2 | 170.9 | 0 | 0 | 111.5 | G174 A178 A179 Q180 | G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 2.81Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3.49Å; E176-A179 PolarHBondContact O-N 2.83Å; E176-Q180 VanDerWaalsContact O-CG 3.31Å; E176-Q180 WeakPolarHBondContact O-CG 3.33Å; E176-Q180 PolarHBondContact O-N 3.44Å; E176-Q180 PolarHBondContact OE1-NE2 3.13Å |
| 177 | V | 98.5 | Very high | 98.4 | Very high | 35 Ų | 35 | 59 Ų | 59 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | A29 V169 M173 G174 A179 Q180 V181 | A29-V177 HydrophobicContact CB-CG1 4.09Å; V169-V177 HydrophobicContact CG1-CG1 4.14Å; M173-V177 HydrophobicContact CB-CB 3.82Å; M173-V177 HydrophobicContact CB-CG1 3.79Å; M173-V177 HydrophobicContact CB-CG2 4.17Å; M173-V177 HydrophobicContact CG-CG1 4.46Å; M173-V177 WeakPolarHBondContact O-CG2 3.44Å; G174-V177 PolarHBondContact O-N 2.97Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.3Å; V177-Q180 PolarHBondContact O-N 3.44Å; V177-V181 HydrophobicContact CG1-CG2 4.25Å; V177-V181 WeakPolarHBondContact O-CB 3.1Å; V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 3.47Å |
| 178 | A | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V169 E170 G174 A175 E176 V181 K182 | V169-A178 HydrophobicContact CG1-CB 4.03Å; E170-A178 HydrophobicContact CB-CB 3.86Å; G174-A178 PolarHBondContact O-N 3.13Å; G174-A178 VanDerWaalsContact O-N 3.12Å; A175-A178 PolarHBondContact O-N 3.12Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3.49Å; A178-V181 PolarHBondContact O-N 3.17Å; A178-K182 VanDerWaalsContact O-CB 3.31Å; A178-K182 WeakPolarHBondContact O-CB 3.5Å; A178-K182 PolarHBondContact O-N 3.5Å |
| 179 | A | 98.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 76.3 Ų | 76.3 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A175 E176 V177 V181 K182 A183 | A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 3.11Å; E176-A179 PolarHBondContact O-N 2.83Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.3Å; A179-V181 VanDerWaalsContact C-N 3.34Å; A179-V181 PolarHBondContact O-N 3.03Å; A179-K182 PolarHBondContact O-N 3.46Å; A179-A183 PolarHBondContact O-N 3.16Å |
| 180 | Q | 98.6 | Very high | 97.1 | Very high | 116 Ų | 116 | 80.1 Ų | 80.1 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.6 | -72.1 | 172.9 | 3.9 | 0 | 0 | 112 | E176 V177 P184 | E176-Q180 VanDerWaalsContact O-CG 3.31Å; E176-Q180 WeakPolarHBondContact O-CG 3.33Å; E176-Q180 PolarHBondContact O-N 3.44Å; E176-Q180 PolarHBondContact OE1-NE2 3.13Å; V177-Q180 PolarHBondContact O-N 3.44Å; Q180-P184 WeakPolarHBondContact O-CD 3.4Å |
| 181 | V | 98.5 | Very high | 97 | Very high | 11 Ų | 11 | 78.9 Ų | 78.9 | 7% | 0.067 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I25 R28 A29 L166 V177 A178 A179 P184 L185 | I25-V181 HydrophobicContact CG2-CG1 4.01Å; R28-V181 HydrophobicContact CB-CG1 3.91Å; R28-V181 HydrophobicContact CB-CG2 4.35Å; A29-V181 HydrophobicContact CB-CG2 3.94Å; L166-V181 HydrophobicContact CD2-CB 4.41Å; L166-V181 HydrophobicContact CD2-CG1 4.11Å; V177-V181 HydrophobicContact CG1-CG2 4.25Å; V177-V181 WeakPolarHBondContact O-CB 3.1Å; V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 3.47Å; A178-V181 PolarHBondContact O-N 3.17Å; A179-V181 VanDerWaalsContact C-N 3.34Å; A179-V181 PolarHBondContact O-N 3.03Å; V181-P184 WeakPolarHBondContact O-CD 3.27Å; V181-L185 VanDerWaalsContact O-CG 3.29Å; V181-L185 WeakPolarHBondContact O-CG 3.11Å |
| 182 | K | 98.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 78.5 Ų | 78.5 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 179.1 | -176.5 | -176.8 | 177.2 | -171 | 0 | 112.5 | L166 A178 A179 L185 M187 | L166-K182 HydrophobicContact CD1-CB 3.91Å; L166-K182 HydrophobicContact CD1-CD 4.11Å; L166-K182 HydrophobicContact CD1-CG 3.81Å; L166-K182 HydrophobicContact CD2-CB 4.05Å; A178-K182 VanDerWaalsContact O-CB 3.31Å; A178-K182 WeakPolarHBondContact O-CB 3.5Å; A178-K182 PolarHBondContact O-N 3.5Å; A179-K182 PolarHBondContact O-N 3.46Å; K182-L185 VanDerWaalsContact O-CB 3.32Å; K182-L185 WeakPolarHBondContact O-CB 3.49Å; K182-L185 PolarHBondContact O-N 3.36Å; K182-M187 HydrophobicContact CG-SD 4.25Å |
| 183 | A | 98.3 | Very high | 96.9 | Very high | 80 Ų | 80 | 81.6 Ų | 81.6 | 66% | 0.661 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -50.6 | -49 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | A179 L185 | A179-A183 PolarHBondContact O-N 3.16Å; A183-L185 VanDerWaalsContact C-N 3.26Å; A183-L185 PolarHBondContact O-N 3.4Å |
| 184 | P | 98.3 | Very high | 96.8 | Very high | 81 Ų | 81 | 82.6 Ų | 82.6 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -76.9 | -2.6 | 179.4 | 31.8 | -38.4 | 0 | 0 | 0 | 114.8 | Q180 V181 V186 | Q180-P184 WeakPolarHBondContact O-CD 3.4Å; V181-P184 WeakPolarHBondContact O-CD 3.27Å; P184-V186 VanDerWaalsContact C-N 3.3Å |
| 185 | L | 98.2 | Very high | 96.7 | Very high | 35 Ų | 35 | 86 Ų | 86 | 18% | 0.183 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -80.7 | -10.3 | -178.8 | -55.7 | 177.4 | 0 | 0 | 0 | 113.4 | I25 F162 V181 K182 A183 M187 | I25-L185 HydrophobicContact CD1-CD1 3.45Å; I25-L185 VanDerWaalsContact CD1-CD1 3.45Å; I25-L185 HydrophobicContact CD1-CD2 3.56Å; I25-L185 HydrophobicContact CD1-CG 4.15Å; F162-L185 HydrophobicContact CD1-CD1 4.17Å; V181-L185 VanDerWaalsContact O-CG 3.29Å; V181-L185 WeakPolarHBondContact O-CG 3.11Å; K182-L185 VanDerWaalsContact O-CB 3.32Å; K182-L185 WeakPolarHBondContact O-CB 3.49Å; K182-L185 PolarHBondContact O-N 3.36Å; A183-L185 VanDerWaalsContact C-N 3.26Å; A183-L185 PolarHBondContact O-N 3.4Å; L185-M187 HydrophobicContact CB-CG 3.85Å; L185-M187 HydrophobicContact CB-SD 4.37Å; L185-M187 HydrophobicContact CD1-SD 3.98Å; L185-M187 PolarHBondContact O-N 3.26Å |
| 186 | V | 97.7 | Very high | 96.5 | Very high | 136 Ų | 136 | 88.1 Ų | 88.1 | 82% | 0.824 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38.1 | -179.1 | -158.9 | 0 | 0 | 0 | 0 | 111.4 | P184 | P184-V186 VanDerWaalsContact C-N 3.3Š|
| 187 | M | 96.5 | Very high | 96.4 | Very high | 49 Ų | 49 | 83.7 Ų | 83.7 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | trans | -70.3 | 150.9 | 174.4 | -68.8 | -178.3 | 69 | 0 | 0 | 110.1 | F162 L166 K182 L185 | F162-M187 HydrophobicContact CB-CE 3.35Å; F162-M187 HydrophobicContact CB-SD 3.73Å; F162-M187 HydrophobicContact CD1-SD 4.21Å; F162-M187 HydrophobicContact CG-CE 4.12Å; F162-M187 HydrophobicContact CG-SD 4.13Å; L166-M187 HydrophobicContact CD1-CE 4.49Å; L166-M187 HydrophobicContact CD1-SD 3.81Å; K182-M187 HydrophobicContact CG-SD 4.25Å; L185-M187 HydrophobicContact CB-CG 3.85Å; L185-M187 HydrophobicContact CB-SD 4.37Å; L185-M187 HydrophobicContact CD1-SD 3.98Å; L185-M187 PolarHBondContact O-N 3.26Å | ||
| 188 | K | 93.9 | Very high | 96.2 | Very high | 194 Ų | 194 | 87.8 Ų | 87.8 | 84% | 0.843 | 49% | 0.491 | S | S | * | . | trans | -67.2 | 138.3 | 169 | -170.4 | 176.2 | 179.7 | 179 | 0 | 109.7 | ||||
| 189 | D | 79.3 | Confident | 96 | Very high | 205 Ų | 205 | 95 Ų | 95 | 100% | 1.096 | 53% | 0.529 | S | S | * | . | trans | -67.4 | 0 | 173.5 | -66.6 | -38.7 | 0 | 0 | 0 | 112.9 |
Retrieved 189 of 189 residues in 38.5 ms
(Link to these results)