| 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 | 93.5 | Very high | 96 | Very high | 155 Ų | 155 | 29.2 Ų | 29.2 | 76% | 0.764 | 16% | 0.161 | S | C | * | . | 0 | 136.3 | 0 | -68.3 | -175.2 | -70.9 | 0 | 0 | 108.3 | N28 E29 C31 | M1-N28 WeakPolarHBondContact CG-O 3.49Å; M1-E29 CarbonylContact C-O 3.45Å; M1-E29 WeakPolarHBondContact CA-O 3.31Å; M1-C31 HydrophobicContact CB-CB 4.41Å | |||
| 2 | K | 97.5 | Very high | 95.7 | Very high | 69 Ų | 69 | 30.8 Ų | 30.8 | 30% | 0.3 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.1 | -178.8 | -72.6 | -176.8 | 168.1 | -174.4 | 0 | 111.4 | E29 F30 C31 D85 E176 | K2-E29 PolarHBondContact N-O 3.42Å; K2-F30 HydrophobicContact CB-CD1 4.1Å; K2-F30 CarbonylContact O-C 3.55Å; K2-F30 WeakPolarHBondContact O-CA 3.49Å; K2-C31 PolarHBondContact O-N 3.35Å; K2-D85 VanDerWaalsContact CA-OD2 3.27Å; K2-D85 WeakPolarHBondContact CA-OD2 3.32Å; K2-D85 HydrophobicContact CB-CB 4.12Å; K2-D85 HydrophobicContact CG-CB 4.22Å; K2-E176 WeakPolarHBondContact CD-OE1 3.32Å; K2-E176 IonicContact NZ-OE1 2.82Å; K2-E176 PolarHBondContact NZ-OE1 2.88Å; K2-E176 IonicContact NZ-OE2 3.64Å; K2-E176 PolarHBondContact NZ-OE2 2.96Å |
| 3 | Q | 98.2 | Very high | 95.7 | Very high | 44 Ų | 44 | 28.6 Ų | 28.6 | 21% | 0.206 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 142.5 | 176.8 | -71 | -169.6 | 72.8 | 0 | 0 | 111.4 | C31 R33 D83 D85 I86 | Q3-C31 HydrophobicContact CG-CB 3.82Å; Q3-R33 VanDerWaalsContact OE1-NH2 3.14Å; Q3-D83 WeakPolarHBondContact CB-O 3.3Å; Q3-D85 PolarHBondContact N-OD2 3.41Å; Q3-D85 PolarHBondContact O-N 3.07Å; Q3-I86 PolarHBondContact O-N 3.15Å; Q3-I86 VanDerWaalsContact O-N 3.12Å |
| 4 | V | 98.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129 | -177.4 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | I20 F30 I34 V35 I86 V88 L180 | V4-I20 HydrophobicContact CG1-CD1 4.36Å; V4-I20 HydrophobicContact CG1-CG2 4.34Å; V4-F30 HydrophobicContact CG2-CD1 4.47Å; V4-I34 HydrophobicContact CB-CD1 3.98Å; V4-V35 PolarHBondContact O-N 2.87Å; V4-I86 WeakPolarHBondContact CA-O 3.42Å; V4-I86 HydrophobicContact CG1-CB 4.41Å; V4-I86 HydrophobicContact CG2-CB 4.2Å; V4-I86 HydrophobicContact CG2-CD1 4.23Å; V4-V88 HydrophobicContact CG1-CG2 4.09Å; V4-L180 HydrophobicContact CG1-CD2 4.17Å; V4-L180 HydrophobicContact CG2-CD1 3.92Å; V4-L180 HydrophobicContact CG2-CD2 4.18Å |
| 5 | A | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 140.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V35 V80 A84 I86 V88 | A5-V35 CarbonylContact C-O 3.06Å; A5-V35 VanDerWaalsContact CA-O 3.26Å; A5-V35 WeakPolarHBondContact CA-O 3.33Å; A5-V80 HydrophobicContact CB-CG1 3.82Å; A5-V80 WeakPolarHBondContact CB-O 3.4Å; A5-A84 HydrophobicContact CB-CB 3.52Å; A5-I86 PolarHBondContact N-O 2.93Å; A5-V88 PolarHBondContact O-N 3.19Å |
| 6 | V | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.6 | 173.3 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | A17 I20 I34 V35 M36 Y37 V88 | V6-A17 HydrophobicContact CG1-CB 4.41Å; V6-A17 HydrophobicContact CG2-CB 4.24Å; V6-I20 HydrophobicContact CG2-CD1 4.06Å; V6-I34 HydrophobicContact CG2-CG2 3.86Å; V6-V35 PolarHBondContact N-O 3.04Å; V6-M36 HydrophobicContact CB-CB 4.5Å; V6-M36 HydrophobicContact CB-CG 4.31Å; V6-M36 HydrophobicContact CG1-CG 4.45Å; V6-M36 CarbonylContact O-C 3.52Å; V6-M36 VanDerWaalsContact O-CA 3.28Å; V6-M36 WeakPolarHBondContact O-CA 3.46Å; V6-Y37 PolarHBondContact O-N 3.31Å; V6-V88 HydrophobicContact CG2-CB 4.23Å |
| 7 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 103.7 | 179.9 | -54.5 | -173.6 | 0 | 0 | 0 | 110.7 | I77 V80 V81 I87 V88 A90 L99 I103 | L7-I77 HydrophobicContact CD2-CD1 4.47Å; L7-I77 HydrophobicContact CD2-CG1 4.14Å; L7-V80 HydrophobicContact CD2-CG1 3.88Å; L7-V81 HydrophobicContact CD1-CG1 4.25Å; L7-V81 HydrophobicContact CD2-CG1 3.82Å; L7-I87 HydrophobicContact CD1-CG2 3.5Å; L7-I87 VanDerWaalsContact CD1-CG2 3.5Å; L7-I87 HydrophobicContact CG-CG2 3.81Å; L7-V88 PolarHBondContact N-O 3.42Å; L7-A90 CarbonylContact O-C 3.52Å; L7-A90 PolarHBondContact O-N 3.45Å; L7-A90 VanDerWaalsContact O-N 3.16Å; L7-L99 HydrophobicContact CB-CD1 4.45Å; L7-L99 HydrophobicContact CB-CD2 3.95Å; L7-L99 HydrophobicContact CD1-CD1 4.47Å; L7-L99 HydrophobicContact CD1-CD2 3.65Å; L7-L99 HydrophobicContact CD1-CG 4.07Å; L7-L99 HydrophobicContact CG-CD2 4.46Å; L7-I103 HydrophobicContact CD1-CD1 4.48Å |
| 8 | G | 93.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | 146.7 | 147 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S13 M36 Y37 | G8-S13 VanDerWaalsContact C-CB 3.49Å; G8-S13 VanDerWaalsContact O-CB 3.28Å; G8-S13 WeakPolarHBondContact O-CB 3.17Å; G8-S13 PolarHBondContact O-OG 3.33Å; G8-S13 VanDerWaalsContact O-OG 3.11Å; G8-M36 WeakPolarHBondContact O-CE 3.46Å; G8-M36 WeakPolarHBondContact O-CG 3.38Å; G8-Y37 CarbonylContact C-O 3.48Å; G8-Y37 WeakPolarHBondContact CA-O 3.32Å; G8-Y37 PolarHBondContact N-O 3.36Å; G8-Y37 VanDerWaalsContact N-O 3.1Å | ||
| 9 | G | 92.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.109 | C | C | . | . | trans | -111.4 | -0.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S13 N58 Y61 | G9-S13 PolarHBondContact N-OG 2.98Å; G9-N58 PolarHBondContact O-ND2 3.48Å; G9-Y61 WeakPolarHBondContact O-CD2 3.36Å | ||
| 10 | G | 93.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 19.7 Ų | 19.7 | 25% | 0.247 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -79.3 | -179.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | W12 S13 T14 | G10-W12 PolarHBondContact O-N 2.81Å; G10-S13 PolarHBondContact N-OG 3.14Å; G10-S13 PolarHBondContact O-N 3.3Å; G10-S13 PolarHBondContact O-OG 3.31Å; G10-T14 PolarHBondContact O-N 2.84Å; G10-T14 PolarHBondContact O-OG1 3.27Å; G10-T14 VanDerWaalsContact O-OG1 3.13Å |
| 11 | A | 93.8 | Very high | 96.4 | Very high | 17 Ų | 17 | 18.7 Ų | 18.7 | 14% | 0.14 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.9 | -49.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T14 A15 Y61 L62 A153 | A11-T14 PolarHBondContact O-N 3.47Å; A11-A15 PolarHBondContact O-N 2.89Å; A11-Y61 WeakPolarHBondContact CB-O 3.18Å; A11-Y61 VanDerWaalsContact N-CB 3.33Å; A11-L62 HydrophobicContact CB-CD1 4.46Å; A11-A153 HydrophobicContact CB-CB 3.8Å |
| 12 | W | 93.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 14.1 Ų | 14.1 | 19% | 0.186 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | -178.5 | -176.2 | -118 | 0 | 0 | 0 | 112.6 | G10 T14 A15 I16 F116 T151 A153 I156 | G10-W12 PolarHBondContact O-N 2.81Å; W12-T14 VanDerWaalsContact C-N 3.31Å; W12-T14 PolarHBondContact O-N 3.07Å; W12-A15 PolarHBondContact O-N 2.92Å; W12-I16 HydrophobicContact CD2-CG1 4.12Å; W12-I16 HydrophobicContact CH2-CD1 3.85Å; W12-I16 HydrophobicContact CH2-CG1 4.29Å; W12-I16 HydrophobicContact CZ2-CD1 3.61Å; W12-I16 HydrophobicContact CZ2-CG1 3.8Å; W12-I16 WeakPolarHBondContact O-CG1 3.45Å; W12-I16 PolarHBondContact O-N 3.27Å; W12-F116 AromaticContact CE2-CD1 3.96Å; W12-F116 AromaticContact CZ2-CD1 3.67Å; W12-F116 HydrophobicContact CZ2-CD1 3.67Å; W12-F116 AromaticContact CZ2-CE1 4Å; W12-F116 HydrophobicContact CZ2-CE1 4Å; W12-F116 VanDerWaalsContact NE1-CB 3.34Å; W12-F116 AromaticContact NE1-CD1 3.61Å; W12-F116 AromaticContact NE1-CG 3.66Å; W12-T151 HydrophobicContact CH2-CG2 3.65Å; W12-T151 WeakPolarHBondContact CH2-OG1 3.46Å; W12-T151 HydrophobicContact CZ2-CG2 4.39Å; W12-T151 VanDerWaalsContact CZ3-CB 3.48Å; W12-T151 HydrophobicContact CZ3-CG2 4.33Å; W12-T151 WeakPolarHBondContact CZ3-OG1 3.41Å; W12-A153 HydrophobicContact CE3-CB 4.1Å; W12-I156 HydrophobicContact CH2-CD1 3.36Å; W12-I156 HydrophobicContact CZ3-CD1 3.53Å; W12-I156 HydrophobicContact CZ3-CG1 4.28Å |
| 13 | S | 94.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 175.5 | 45.2 | 0 | 0 | 0 | 0 | 112.5 | G8 G9 G10 A17 | G8-S13 VanDerWaalsContact C-CB 3.49Å; G8-S13 VanDerWaalsContact O-CB 3.28Å; G8-S13 WeakPolarHBondContact O-CB 3.17Å; G8-S13 PolarHBondContact O-OG 3.33Å; G8-S13 VanDerWaalsContact O-OG 3.11Å; G9-S13 PolarHBondContact N-OG 2.98Å; G10-S13 PolarHBondContact N-OG 3.14Å; G10-S13 PolarHBondContact O-N 3.3Å; G10-S13 PolarHBondContact O-OG 3.31Å; S13-A17 VanDerWaalsContact O-CB 3.25Å; S13-A17 WeakPolarHBondContact O-CB 3.41Å; S13-A17 PolarHBondContact O-N 3.39Å |
| 14 | T | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.7 | -44.4 | 174.4 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | G10 A11 W12 A17 K18 N58 L62 I67 | G10-T14 PolarHBondContact O-N 2.84Å; G10-T14 PolarHBondContact O-OG1 3.27Å; G10-T14 VanDerWaalsContact O-OG1 3.13Å; A11-T14 PolarHBondContact O-N 3.47Å; W12-T14 VanDerWaalsContact C-N 3.31Å; W12-T14 PolarHBondContact O-N 3.07Å; T14-A17 PolarHBondContact O-N 3.37Å; T14-K18 PolarHBondContact O-N 2.92Å; T14-N58 HydrophobicContact CG2-CB 4.03Å; T14-N58 PolarHBondContact OG1-ND2 3.21Å; T14-L62 HydrophobicContact CG2-CB 4.28Å; T14-L62 HydrophobicContact CG2-CD2 3.89Å; T14-I67 HydrophobicContact CG2-CD1 3.74Å; T14-I67 HydrophobicContact CG2-CG1 3.86Å |
| 15 | A | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A11 W12 K18 V19 L62 A153 A157 | A11-A15 PolarHBondContact O-N 2.89Å; W12-A15 PolarHBondContact O-N 2.92Å; A15-K18 WeakPolarHBondContact O-CB 3.26Å; A15-K18 PolarHBondContact O-N 3.16Å; A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.32Å; A15-L62 HydrophobicContact CB-CD2 4.21Å; A15-A153 HydrophobicContact CB-CB 4.01Å; A15-A153 VanDerWaalsContact CB-O 3.31Å; A15-A153 WeakPolarHBondContact CB-O 3.43Å; A15-A157 HydrophobicContact CB-CB 4.23Å |
| 16 | I | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 177.5 | -67.6 | -58.8 | 0 | 0 | 0 | 111.9 | W12 K18 V19 I20 V88 F116 L181 | W12-I16 HydrophobicContact CD2-CG1 4.12Å; W12-I16 HydrophobicContact CH2-CD1 3.85Å; W12-I16 HydrophobicContact CH2-CG1 4.29Å; W12-I16 HydrophobicContact CZ2-CD1 3.61Å; W12-I16 HydrophobicContact CZ2-CG1 3.8Å; W12-I16 WeakPolarHBondContact O-CG1 3.45Å; W12-I16 PolarHBondContact O-N 3.27Å; I16-K18 VanDerWaalsContact C-N 3.28Å; I16-K18 PolarHBondContact O-N 3.04Å; I16-V19 PolarHBondContact O-N 3.4Å; I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.25Å; I16-I20 VanDerWaalsContact O-CG1 3.27Å; I16-I20 WeakPolarHBondContact O-CG1 3.38Å; I16-I20 PolarHBondContact O-N 2.99Å; I16-V88 HydrophobicContact CG2-CG1 4.09Å; I16-F116 HydrophobicContact CD1-CD1 4.43Å; I16-F116 HydrophobicContact CD1-CE1 3.76Å; I16-F116 HydrophobicContact CD1-CZ 3.88Å; I16-F116 HydrophobicContact CG1-CE1 4.25Å; I16-F116 HydrophobicContact CG1-CZ 4.25Å; I16-F116 HydrophobicContact CG2-CE2 4.03Å; I16-F116 HydrophobicContact CG2-CZ 4.13Å; I16-L181 HydrophobicContact CG2-CD2 4.32Å |
| 17 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V6 S13 T14 A21 M36 V71 | V6-A17 HydrophobicContact CG1-CB 4.41Å; V6-A17 HydrophobicContact CG2-CB 4.24Å; S13-A17 VanDerWaalsContact O-CB 3.25Å; S13-A17 WeakPolarHBondContact O-CB 3.41Å; S13-A17 PolarHBondContact O-N 3.39Å; T14-A17 PolarHBondContact O-N 3.37Å; A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 3.49Å; A17-M36 HydrophobicContact CB-SD 3.8Å; A17-V71 HydrophobicContact CB-CG1 4.24Å; A17-V71 HydrophobicContact CB-CG2 4.48Å |
| 18 | K | 97.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -52.3 | 173.4 | 171.5 | 179.9 | -174.1 | -48.2 | 0 | 112 | T14 A15 I16 I20 A21 D22 I65 P68 A157 | T14-K18 PolarHBondContact O-N 2.92Å; A15-K18 WeakPolarHBondContact O-CB 3.26Å; A15-K18 PolarHBondContact O-N 3.16Å; I16-K18 VanDerWaalsContact C-N 3.28Å; I16-K18 PolarHBondContact O-N 3.04Å; K18-I20 VanDerWaalsContact C-N 3.3Å; K18-I20 PolarHBondContact O-N 3.43Å; K18-A21 PolarHBondContact O-N 3.38Å; K18-D22 IonicContact NZ-OD2 3.7Å; K18-D22 PolarHBondContact NZ-OD2 2.71Å; K18-D22 PolarHBondContact O-N 2.99Å; K18-I65 HydrophobicContact CD-CG2 3.74Å; K18-P68 HydrophobicContact CB-CG 4.35Å; K18-P68 HydrophobicContact CG-CG 3.91Å; K18-A157 HydrophobicContact CD-CB 4.33Å; K18-A157 WeakPolarHBondContact CE-O 3.48Å |
| 19 | V | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56 | -47.7 | -179.7 | 170.5 | 0 | 0 | 0 | 0 | 111 | A15 I16 N23 I156 L181 T183 Y185 L186 | A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.32Å; I16-V19 PolarHBondContact O-N 3.4Å; V19-N23 WeakPolarHBondContact O-CB 3.25Å; V19-N23 PolarHBondContact O-N 2.67Å; V19-N23 VanDerWaalsContact O-N 3.07Å; V19-I156 HydrophobicContact CG2-CG2 3.39Å; V19-L181 HydrophobicContact CG1-CD2 4.48Å; V19-L181 WeakPolarHBondContact CG1-O 3.36Å; V19-T183 HydrophobicContact CG1-CG2 4.27Å; V19-Y185 HydrophobicContact CG2-CE2 4.17Å; V19-L186 HydrophobicContact CG1-CD2 3.91Å |
| 20 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -49.6 | 178.8 | -64.9 | 168.6 | 0 | 0 | 0 | 109.7 | V4 V6 I16 K18 D22 N23 V24 I34 V88 L180 L181 | V4-I20 HydrophobicContact CG1-CD1 4.36Å; V4-I20 HydrophobicContact CG1-CG2 4.34Å; V6-I20 HydrophobicContact CG2-CD1 4.06Å; I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.25Å; I16-I20 VanDerWaalsContact O-CG1 3.27Å; I16-I20 WeakPolarHBondContact O-CG1 3.38Å; I16-I20 PolarHBondContact O-N 2.99Å; K18-I20 VanDerWaalsContact C-N 3.3Å; K18-I20 PolarHBondContact O-N 3.43Å; I20-D22 VanDerWaalsContact C-N 3.33Å; I20-D22 PolarHBondContact O-N 2.95Å; I20-N23 PolarHBondContact O-N 3.2Å; I20-N23 VanDerWaalsContact O-N 3.12Å; I20-V24 HydrophobicContact CG2-CG1 3.93Å; I20-V24 WeakPolarHBondContact O-CG1 3.39Å; I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 3.33Å; I20-I34 HydrophobicContact CG2-CD1 3.47Å; I20-I34 VanDerWaalsContact CG2-CD1 3.47Å; I20-I34 HydrophobicContact CG2-CG1 4.01Å; I20-V88 HydrophobicContact CD1-CG2 3.97Å; I20-L180 HydrophobicContact CG1-CG 4.37Å; I20-L180 HydrophobicContact CG2-CD1 3.7Å; I20-L180 HydrophobicContact CG2-CG 4.18Å; I20-L181 HydrophobicContact CD1-CD2 3.98Å; I20-L181 HydrophobicContact CG1-CD2 3.49Å; I20-L181 VanDerWaalsContact CG1-CD2 3.49Å |
| 21 | A | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A17 K18 S25 I34 P68 N70 V71 | A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 3.49Å; K18-A21 PolarHBondContact O-N 3.38Å; A21-S25 PolarHBondContact O-N 2.85Å; A21-S25 PolarHBondContact O-OG 3.32Å; A21-I34 HydrophobicContact CB-CG1 3.94Å; A21-P68 HydrophobicContact CB-CB 3.85Å; A21-P68 HydrophobicContact CB-CG 3.96Å; A21-N70 PolarHBondContact O-ND2 2.94Å; A21-V71 HydrophobicContact CB-CG2 3.43Å; A21-V71 VanDerWaalsContact CB-CG2 3.43Å |
| 22 | D | 96.2 | Very high | 96 | Very high | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.4 | -69.6 | -24.2 | 0 | 0 | 0 | 110.6 | K18 I20 P68 | K18-D22 IonicContact NZ-OD2 3.7Å; K18-D22 PolarHBondContact NZ-OD2 2.71Å; K18-D22 PolarHBondContact O-N 2.99Å; I20-D22 VanDerWaalsContact C-N 3.33Å; I20-D22 PolarHBondContact O-N 2.95Å; D22-P68 WeakPolarHBondContact OD1-CG 3.38Å |
| 23 | N | 95.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 35 Ų | 35 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.8 | -33.8 | -174.5 | -167.5 | 39.5 | 0 | 0 | 0 | 113.7 | V19 I20 S25 R179 L180 | V19-N23 WeakPolarHBondContact O-CB 3.25Å; V19-N23 PolarHBondContact O-N 2.67Å; V19-N23 VanDerWaalsContact O-N 3.07Å; I20-N23 PolarHBondContact O-N 3.2Å; I20-N23 VanDerWaalsContact O-N 3.12Å; N23-S25 VanDerWaalsContact C-N 3.32Å; N23-S25 PolarHBondContact O-N 3Å; N23-R179 PolarHBondContact ND2-O 3.26Å; N23-L180 PolarHBondContact ND2-O 2.87Å |
| 24 | V | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -78.7 | -14.4 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | I20 S26 S27 F30 I34 L180 | I20-V24 HydrophobicContact CG2-CG1 3.93Å; I20-V24 WeakPolarHBondContact O-CG1 3.39Å; I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 3.33Å; V24-S26 PolarHBondContact O-N 3.01Å; V24-S26 VanDerWaalsContact O-N 3.1Å; V24-S27 WeakPolarHBondContact O-CB 3.34Å; V24-S27 PolarHBondContact O-N 3.3Å; V24-F30 HydrophobicContact CB-CB 3.95Å; V24-F30 HydrophobicContact CG1-CB 3.51Å; V24-F30 HydrophobicContact CG1-CD2 4.05Å; V24-F30 HydrophobicContact CG1-CG 3.98Å; V24-I34 HydrophobicContact CG1-CD1 4.46Å; V24-I34 HydrophobicContact CG2-CD1 3.85Å; V24-I34 HydrophobicContact CG2-CG1 4.21Å; V24-L180 HydrophobicContact CG1-CD1 3.64Å |
| 25 | S | 92.6 | Very high | 96.4 | Very high | 81 Ų | 81 | 35.7 Ų | 35.7 | 57% | 0.566 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.2 | -174.1 | -72.3 | 0 | 0 | 0 | 0 | 113.9 | A21 N23 N70 | A21-S25 PolarHBondContact O-N 2.85Å; A21-S25 PolarHBondContact O-OG 3.32Å; N23-S25 VanDerWaalsContact C-N 3.32Å; N23-S25 PolarHBondContact O-N 3Å; S25-N70 PolarHBondContact OG-ND2 3.37Å |
| 26 | S | 89.3 | Confident | 96.5 | Very high | 106 Ų | 106 | 35.7 Ų | 35.7 | 74% | 0.741 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 8.2 | 176.5 | 59 | 0 | 0 | 0 | 0 | 113.4 | V24 | V24-S26 PolarHBondContact O-N 3.01Å; V24-S26 VanDerWaalsContact O-N 3.1Å |
| 27 | S | 92.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | trans | -84.5 | 138.1 | -177.1 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | V24 E29 F30 | V24-S27 WeakPolarHBondContact O-CB 3.34Å; V24-S27 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-N 3.23Å; S27-E29 VanDerWaalsContact OG-N 3.08Å; S27-F30 WeakPolarHBondContact OG-CD2 3.43Å; S27-F30 PolarHBondContact OG-N 2.97Å | ||
| 28 | N | 94.2 | Very high | 96.5 | Very high | 157 Ų | 157 | 36.1 Ų | 36.1 | 84% | 0.84 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -91.2 | -7.2 | 168.1 | -66.3 | -38.5 | 0 | 0 | 0 | 112.6 | M1 | M1-N28 WeakPolarHBondContact CG-O 3.49Š|
| 29 | E | 97.2 | Very high | 96.2 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 29% | 0.285 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -90.3 | -41.6 | -178.5 | -174.8 | 174.5 | -179.1 | 0 | 0 | 111 | M1 K2 S27 R179 | M1-E29 CarbonylContact C-O 3.45Å; M1-E29 WeakPolarHBondContact CA-O 3.31Å; K2-E29 PolarHBondContact N-O 3.42Å; S27-E29 PolarHBondContact OG-N 3.23Å; S27-E29 VanDerWaalsContact OG-N 3.08Å; E29-R179 IonicContact OE1-CZ 3.06Å; E29-R179 IonicContact OE1-NE 3.44Å; E29-R179 PolarHBondContact OE1-NE 2.87Å; E29-R179 IonicContact OE1-NH2 2.8Å; E29-R179 PolarHBondContact OE1-NH2 3.37Å; E29-R179 IonicContact OE2-CZ 2.61Å; E29-R179 IonicContact OE2-NE 3.59Å; E29-R179 PolarHBondContact OE2-NE 2.86Å; E29-R179 IonicContact OE2-NH2 2.67Å |
| 30 | F | 98 | Very high | 96 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.1 | -173.9 | -53.2 | -68 | 0 | 0 | 0 | 111.9 | K2 V4 V24 S27 G32 I86 E176 R179 L180 | K2-F30 HydrophobicContact CB-CD1 4.1Å; K2-F30 CarbonylContact O-C 3.55Å; K2-F30 WeakPolarHBondContact O-CA 3.49Å; V4-F30 HydrophobicContact CG2-CD1 4.47Å; V24-F30 HydrophobicContact CB-CB 3.95Å; V24-F30 HydrophobicContact CG1-CB 3.51Å; V24-F30 HydrophobicContact CG1-CD2 4.05Å; V24-F30 HydrophobicContact CG1-CG 3.98Å; S27-F30 WeakPolarHBondContact OG-CD2 3.43Å; S27-F30 PolarHBondContact OG-N 2.97Å; F30-G32 PolarHBondContact O-N 3.15Å; F30-I86 HydrophobicContact CD1-CD1 4.21Å; F30-I86 HydrophobicContact CE1-CD1 3.75Å; F30-E176 HydrophobicContact CE1-CG 3.91Å; F30-E176 HydrophobicContact CZ-CG 3.89Å; F30-R179 HydrophobicContact CE2-CB 4.3Å; F30-R179 HydrophobicContact CZ-CB 4.46Å; F30-L180 HydrophobicContact CD1-CD1 3.92Å; F30-L180 HydrophobicContact CD2-CD1 3.98Å; F30-L180 HydrophobicContact CE1-CB 4.39Å; F30-L180 HydrophobicContact CE1-CD1 4.09Å; F30-L180 HydrophobicContact CE2-CB 4.2Å; F30-L180 HydrophobicContact CE2-CD1 4.14Å; F30-L180 HydrophobicContact CG-CD1 3.88Å; F30-L180 HydrophobicContact CZ-CB 3.96Å; F30-L180 HydrophobicContact CZ-CD1 4.2Å |
| 31 | C | 97.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.5 | 172.1 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | M1 K2 Q3 R33 | M1-C31 HydrophobicContact CB-CB 4.41Å; K2-C31 PolarHBondContact O-N 3.35Å; Q3-C31 HydrophobicContact CG-CB 3.82Å; C31-R33 PolarHBondContact O-N 2.9Å; C31-R33 VanDerWaalsContact O-N 3.15Å |
| 32 | G | 96.8 | Very high | 95.6 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | -21.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | F30 N70 | F30-G32 PolarHBondContact O-N 3.15Å; G32-N70 WeakPolarHBondContact O-CB 3.46Å; G32-N70 PolarHBondContact O-ND2 2.87Å |
| 33 | R | 97.4 | Very high | 95.4 | Very high | 114 Ų | 114 | 51.1 Ų | 51.1 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.1 | 179.3 | -175.9 | -177.3 | 67.5 | 147.6 | 1.8 | 111.2 | Q3 C31 V35 I72 | Q3-R33 VanDerWaalsContact OE1-NH2 3.14Å; C31-R33 PolarHBondContact O-N 2.9Å; C31-R33 VanDerWaalsContact O-N 3.15Å; R33-V35 HydrophobicContact CG-CG2 4.39Å; R33-I72 HydrophobicContact CG-CG1 4.13Å |
| 34 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.7 | 174.2 | -53.6 | -54.3 | 0 | 0 | 0 | 109.2 | V4 V6 I20 A21 V24 N70 V71 I72 | V4-I34 HydrophobicContact CB-CD1 3.98Å; V6-I34 HydrophobicContact CG2-CG2 3.86Å; I20-I34 HydrophobicContact CG2-CD1 3.47Å; I20-I34 VanDerWaalsContact CG2-CD1 3.47Å; I20-I34 HydrophobicContact CG2-CG1 4.01Å; A21-I34 HydrophobicContact CB-CG1 3.94Å; V24-I34 HydrophobicContact CG1-CD1 4.46Å; V24-I34 HydrophobicContact CG2-CD1 3.85Å; V24-I34 HydrophobicContact CG2-CG1 4.21Å; I34-N70 PolarHBondContact N-O 3.27Å; I34-V71 HydrophobicContact CB-CG2 4.42Å; I34-V71 CarbonylContact O-C 3.54Å; I34-V71 WeakPolarHBondContact O-CA 3.26Å; I34-I72 PolarHBondContact O-N 3.42Å |
| 35 | V | 98.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.2 | 177.7 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | V4 A5 V6 R33 I72 N74 V80 | V4-V35 PolarHBondContact O-N 2.87Å; A5-V35 CarbonylContact C-O 3.06Å; A5-V35 VanDerWaalsContact CA-O 3.26Å; A5-V35 WeakPolarHBondContact CA-O 3.33Å; V6-V35 PolarHBondContact N-O 3.04Å; R33-V35 HydrophobicContact CG-CG2 4.39Å; V35-I72 CarbonylContact C-O 3.57Å; V35-I72 WeakPolarHBondContact CA-O 3.44Å; V35-N74 HydrophobicContact CG1-CB 4.46Å; V35-V80 HydrophobicContact CG1-CB 4.29Å; V35-V80 HydrophobicContact CG1-CG1 4.17Å; V35-V80 HydrophobicContact CG1-CG2 3.96Å |
| 36 | M | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.1 | -173.9 | -176 | 176.1 | 179.9 | 0 | 0 | 110.2 | V6 G8 A17 V38 V71 I72 A73 N74 | V6-M36 HydrophobicContact CB-CB 4.5Å; V6-M36 HydrophobicContact CB-CG 4.31Å; V6-M36 HydrophobicContact CG1-CG 4.45Å; V6-M36 CarbonylContact O-C 3.52Å; V6-M36 VanDerWaalsContact O-CA 3.28Å; V6-M36 WeakPolarHBondContact O-CA 3.46Å; G8-M36 WeakPolarHBondContact O-CE 3.46Å; G8-M36 WeakPolarHBondContact O-CG 3.38Å; A17-M36 HydrophobicContact CB-SD 3.8Å; M36-V38 HydrophobicContact CE-CG2 4.47Å; M36-V38 HydrophobicContact CG-CG2 4.03Å; M36-V38 PolarHBondContact O-N 3.15Å; M36-V38 HydrophobicContact SD-CG2 4.39Å; M36-V71 HydrophobicContact CB-CG1 4.25Å; M36-V71 HydrophobicContact SD-CG1 4.26Å; M36-I72 PolarHBondContact N-O 3.37Å; M36-A73 CarbonylContact O-C 3.54Å; M36-A73 WeakPolarHBondContact O-CA 3.33Å; M36-N74 PolarHBondContact O-N 3.08Å |
| 37 | Y | 98.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118 | 171 | 170.9 | -114.4 | 0 | 0 | 0 | 109.9 | V6 G8 N74 S75 I77 Y91 L99 | V6-Y37 PolarHBondContact O-N 3.31Å; G8-Y37 CarbonylContact C-O 3.48Å; G8-Y37 WeakPolarHBondContact CA-O 3.32Å; G8-Y37 PolarHBondContact N-O 3.36Å; G8-Y37 VanDerWaalsContact N-O 3.1Å; Y37-N74 WeakPolarHBondContact CA-O 3.39Å; Y37-S75 VanDerWaalsContact CE2-O 3.31Å; Y37-S75 WeakPolarHBondContact CE2-O 3.26Å; Y37-I77 HydrophobicContact CD1-CB 4.49Å; Y37-I77 HydrophobicContact CD1-CD1 3.92Å; Y37-I77 HydrophobicContact CD1-CG1 4.05Å; Y37-I77 HydrophobicContact CD2-CB 3.64Å; Y37-I77 HydrophobicContact CD2-CG1 3.95Å; Y37-I77 HydrophobicContact CE1-CD1 4Å; Y37-I77 HydrophobicContact CE1-CG1 4.39Å; Y37-I77 HydrophobicContact CE2-CB 3.71Å; Y37-I77 HydrophobicContact CE2-CG1 4.31Å; Y37-I77 HydrophobicContact CG-CB 4.05Å; Y37-I77 HydrophobicContact CG-CD1 4.21Å; Y37-I77 HydrophobicContact CG-CG1 3.81Å; Y37-Y91 HydrophobicContact CE1-CE2 4.48Å; Y37-L99 HydrophobicContact CD1-CD1 4.29Å; Y37-L99 HydrophobicContact CE1-CD1 4.22Å |
| 38 | V | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -119.4 | 125.2 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | M36 L48 V49 I52 A73 N74 S75 | M36-V38 HydrophobicContact CE-CG2 4.47Å; M36-V38 HydrophobicContact CG-CG2 4.03Å; M36-V38 PolarHBondContact O-N 3.15Å; M36-V38 HydrophobicContact SD-CG2 4.39Å; V38-L48 HydrophobicContact CG1-CB 4.1Å; V38-L48 HydrophobicContact CG1-CD2 3.72Å; V38-L48 HydrophobicContact CG1-CG 3.84Å; V38-V49 HydrophobicContact CB-CG2 3.99Å; V38-V49 HydrophobicContact CG1-CG2 4.25Å; V38-I52 HydrophobicContact CG1-CD1 4.34Å; V38-I52 HydrophobicContact CG2-CD1 3.74Å; V38-A73 HydrophobicContact CB-CB 4.38Å; V38-A73 HydrophobicContact CG2-CB 3.74Å; V38-N74 PolarHBondContact N-O 3.19Å; V38-N74 VanDerWaalsContact N-O 3.08Å; V38-S75 VanDerWaalsContact O-CA 3.27Å; V38-S75 WeakPolarHBondContact O-CA 3.49Å; V38-S75 WeakPolarHBondContact O-CB 3.42Å | ||
| 39 | Y | 93.1 | Very high | 96.1 | Very high | 130 Ų | 130 | 50 Ų | 50 | 51% | 0.51 | 25% | 0.254 | S | S | . | . | trans | -58.4 | 145.7 | 177.6 | -175.5 | -97.4 | 0 | 0 | 0 | 110 | E41 | Y39-E41 HydrophobicContact CD1-CB 4.3Å; Y39-E41 PolarHBondContact O-N 3.18Å | ||
| 40 | D | 92.6 | Very high | 96.2 | Very high | 97 Ų | 97 | 49.7 Ų | 49.7 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -69.4 | 81.4 | -178.8 | -168.9 | 16.7 | 0 | 0 | 0 | 110.7 | N47 | D40-N47 PolarHBondContact OD1-ND2 2.92Š|
| 41 | E | 93.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | trans | -119.9 | 147.7 | 179.6 | 76.5 | 176.5 | 108.2 | 0 | 0 | 112 | Y39 L48 Y61 | Y39-E41 HydrophobicContact CD1-CB 4.3Å; Y39-E41 PolarHBondContact O-N 3.18Å; E41-L48 HydrophobicContact CG-CB 3.75Å; E41-L48 HydrophobicContact CG-CD2 3.84Å; E41-L48 HydrophobicContact CG-CG 4.46Å; E41-L48 PolarHBondContact O-N 3.12Å; E41-L48 WeakPolarHBondContact OE1-CD2 3.34Å; E41-Y61 VanDerWaalsContact CD-OH 3.25Å; E41-Y61 WeakPolarHBondContact OE1-CE2 3.48Å; E41-Y61 PolarHBondContact OE1-OH 3.26Å; E41-Y61 PolarHBondContact OE2-OH 3.12Å | ||
| 42 | T | 93.7 | Very high | 96.2 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 55% | 0.546 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.8 | -179.9 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | R46 | T42-R46 WeakPolarHBondContact CA-O 3.23Å |
| 43 | H | 93.5 | Very high | 96.3 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.6 | 172.1 | -179.6 | 56.9 | 0 | 0 | 0 | 109.1 | D45 R46 Y51 V60 | H43-D45 VanDerWaalsContact C-N 3.31Å; H43-D45 PolarHBondContact O-N 3.43Å; H43-R46 PolarHBondContact N-O 3.45Å; H43-R46 PolarHBondContact O-N 3.06Å; H43-R46 VanDerWaalsContact O-N 3.12Å; H43-R46 VanDerWaalsContact O-O 3.07Å; H43-Y51 HydrophobicContact CB-CE2 4.38Å; H43-Y51 WeakPolarHBondContact O-CE2 3.48Å; H43-V60 HydrophobicContact CB-CG2 3.55Å |
| 44 | N | 93.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 51.8 Ų | 51.8 | 63% | 0.631 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 51.9 | -176.5 | -57.4 | -23.7 | 0 | 0 | 0 | 112.4 | R46 | N44-R46 PolarHBondContact O-N 3.06Å; N44-R46 VanDerWaalsContact O-N 3.1Å |
| 45 | D | 93.3 | Very high | 96.3 | Very high | 166 Ų | 166 | 55 Ų | 55 | 89% | 0.888 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 13.3 | 178.7 | -52.4 | -50.6 | 0 | 0 | 0 | 116.3 | H43 | H43-D45 VanDerWaalsContact C-N 3.31Å; H43-D45 PolarHBondContact O-N 3.43Å |
| 46 | R | 96.5 | Very high | 96.3 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.5 | 174.8 | 177 | 174.7 | 174.8 | -172.5 | -3.3 | 111.9 | T42 H43 N44 D50 Y51 D55 | T42-R46 WeakPolarHBondContact CA-O 3.23Å; H43-R46 PolarHBondContact N-O 3.45Å; H43-R46 PolarHBondContact O-N 3.06Å; H43-R46 VanDerWaalsContact O-N 3.12Å; H43-R46 VanDerWaalsContact O-O 3.07Å; N44-R46 PolarHBondContact O-N 3.06Å; N44-R46 VanDerWaalsContact O-N 3.1Å; R46-D50 HydrophobicContact CG-CB 3.91Å; R46-D50 PolarHBondContact NH2-O 3.16Å; R46-Y51 HydrophobicContact CB-CD2 4.32Å; R46-Y51 HydrophobicContact CB-CE2 3.59Å; R46-Y51 HydrophobicContact CG-CD2 3.93Å; R46-Y51 HydrophobicContact CG-CE2 3.68Å; R46-D55 IonicContact CZ-OD1 2.71Å; R46-D55 IonicContact CZ-OD2 3.22Å; R46-D55 VanDerWaalsContact NH1-CG 3.34Å; R46-D55 IonicContact NH1-OD1 3.96Å; R46-D55 PolarHBondContact NH1-OD1 3.02Å; R46-D55 IonicContact NH1-OD2 3.68Å; R46-D55 PolarHBondContact NH1-OD2 3.49Å; R46-D55 IonicContact NH2-OD1 3.24Å; R46-D55 PolarHBondContact NH2-OD1 2.93Å; R46-D55 IonicContact NH2-OD2 3.57Å; R46-D55 PolarHBondContact NH2-OD2 3.46Å; R46-D55 VanDerWaalsContact NH2-OD2 3.13Å |
| 47 | N | 97 | Very high | 96.3 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 139.6 | 178.9 | -162.3 | -68.8 | 0 | 0 | 0 | 111.4 | D40 V49 D50 Y51 | D40-N47 PolarHBondContact OD1-ND2 2.92Å; N47-V49 PolarHBondContact O-N 3.3Å; N47-V49 WeakPolarHBondContact OD1-CB 3.45Å; N47-V49 WeakPolarHBondContact OD1-CG2 3.45Å; N47-V49 PolarHBondContact OD1-N 3.42Å; N47-D50 HydrophobicContact CB-CB 4.38Å; N47-D50 WeakPolarHBondContact O-CB 3.45Å; N47-D50 PolarHBondContact O-N 3.21Å; N47-Y51 WeakPolarHBondContact O-CD2 3.43Å; N47-Y51 PolarHBondContact O-N 3.33Å |
| 48 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -33.7 | 176.6 | -175.6 | 57.4 | 0 | 0 | 0 | 112.5 | V38 E41 D50 Y51 I52 P59 V60 Y61 | V38-L48 HydrophobicContact CG1-CB 4.1Å; V38-L48 HydrophobicContact CG1-CD2 3.72Å; V38-L48 HydrophobicContact CG1-CG 3.84Å; E41-L48 HydrophobicContact CG-CB 3.75Å; E41-L48 HydrophobicContact CG-CD2 3.84Å; E41-L48 HydrophobicContact CG-CG 4.46Å; E41-L48 PolarHBondContact O-N 3.12Å; E41-L48 WeakPolarHBondContact OE1-CD2 3.34Å; L48-D50 VanDerWaalsContact C-N 3.28Å; L48-D50 PolarHBondContact O-N 2.88Å; L48-Y51 PolarHBondContact O-N 3.44Å; L48-I52 HydrophobicContact CD1-CD1 4.43Å; L48-I52 HydrophobicContact CG-CD1 4.13Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 3.32Å; L48-I52 VanDerWaalsContact O-N 3.1Å; L48-P59 HydrophobicContact CD1-CG 4.48Å; L48-V60 HydrophobicContact CD1-CG2 4.18Å; L48-Y61 HydrophobicContact CD2-CD2 4.03Å; L48-Y61 HydrophobicContact CD2-CE2 3.73Å |
| 49 | V | 98.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 59.5 Ų | 59.5 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 172.2 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V38 N47 I52 N53 A73 | V38-V49 HydrophobicContact CB-CG2 3.99Å; V38-V49 HydrophobicContact CG1-CG2 4.25Å; N47-V49 PolarHBondContact O-N 3.3Å; N47-V49 WeakPolarHBondContact OD1-CB 3.45Å; N47-V49 WeakPolarHBondContact OD1-CG2 3.45Å; N47-V49 PolarHBondContact OD1-N 3.42Å; V49-I52 PolarHBondContact O-N 3.14Å; V49-N53 WeakPolarHBondContact CG1-ND2 3.46Å; V49-N53 WeakPolarHBondContact O-CB 3.33Å; V49-N53 PolarHBondContact O-N 3.32Å; V49-N53 PolarHBondContact O-ND2 3.48Å; V49-A73 HydrophobicContact CB-CB 4.28Å; V49-A73 HydrophobicContact CG1-CB 3.98Å; V49-A73 WeakPolarHBondContact CG1-O 3.46Å; V49-A73 HydrophobicContact CG2-CB 4.28Å |
| 50 | D | 97.9 | Very high | 96.2 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.8 | -79.9 | -51.6 | 0 | 0 | 0 | 112.4 | R46 N47 L48 K54 | R46-D50 HydrophobicContact CG-CB 3.91Å; R46-D50 PolarHBondContact NH2-O 3.16Å; N47-D50 HydrophobicContact CB-CB 4.38Å; N47-D50 WeakPolarHBondContact O-CB 3.45Å; N47-D50 PolarHBondContact O-N 3.21Å; L48-D50 VanDerWaalsContact C-N 3.28Å; L48-D50 PolarHBondContact O-N 2.88Å; D50-K54 WeakPolarHBondContact O-CB 3.29Å; D50-K54 PolarHBondContact O-N 3.14Å; D50-K54 WeakPolarHBondContact OD1-CE 3.38Å; D50-K54 IonicContact OD1-NZ 3.49Å; D50-K54 PolarHBondContact OD1-NZ 3.35Å |
| 51 | Y | 98.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 13% | 0.129 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -61 | -46.6 | 174.7 | -81.7 | -72 | 0 | 0 | 0 | 111 | H43 R46 N47 L48 D55 H56 I57 P59 | H43-Y51 HydrophobicContact CB-CE2 4.38Å; H43-Y51 WeakPolarHBondContact O-CE2 3.48Å; R46-Y51 HydrophobicContact CB-CD2 4.32Å; R46-Y51 HydrophobicContact CB-CE2 3.59Å; R46-Y51 HydrophobicContact CG-CD2 3.93Å; R46-Y51 HydrophobicContact CG-CE2 3.68Å; N47-Y51 WeakPolarHBondContact O-CD2 3.43Å; N47-Y51 PolarHBondContact O-N 3.33Å; L48-Y51 PolarHBondContact O-N 3.44Å; Y51-D55 VanDerWaalsContact CD1-OD2 3.28Å; Y51-D55 WeakPolarHBondContact CD1-OD2 3.47Å; Y51-D55 CarbonylContact O-C 3.59Å; Y51-D55 WeakPolarHBondContact O-CA 3.16Å; Y51-D55 WeakPolarHBondContact O-CB 3.3Å; Y51-D55 PolarHBondContact O-N 3.48Å; Y51-H56 PolarHBondContact O-N 3.04Å; Y51-I57 CarbonylContact C-O 3.46Å; Y51-I57 HydrophobicContact CD1-CD1 4.26Å; Y51-I57 HydrophobicContact CD1-CG1 4.42Å; Y51-P59 HydrophobicContact CD1-CG 3.91Å; Y51-P59 HydrophobicContact CD2-CG 3.97Å; Y51-P59 HydrophobicContact CE1-CG 4.21Å; Y51-P59 HydrophobicContact CE2-CG 4.25Å; Y51-P59 HydrophobicContact CG-CG 3.78Å |
| 52 | I | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -66.9 | -43.2 | -178.8 | -65.1 | 166.2 | 0 | 0 | 0 | 111 | V38 L48 V49 H56 I57 I67 A73 | V38-I52 HydrophobicContact CG1-CD1 4.34Å; V38-I52 HydrophobicContact CG2-CD1 3.74Å; L48-I52 HydrophobicContact CD1-CD1 4.43Å; L48-I52 HydrophobicContact CG-CD1 4.13Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 3.32Å; L48-I52 VanDerWaalsContact O-N 3.1Å; V49-I52 PolarHBondContact O-N 3.14Å; I52-H56 VanDerWaalsContact O-CA 3.31Å; I52-H56 WeakPolarHBondContact O-CA 3.25Å; I52-H56 PolarHBondContact O-N 3.41Å; I52-H56 PolarHBondContact O-ND1 2.94Å; I52-I57 WeakPolarHBondContact CG1-O 3.35Å; I52-I57 PolarHBondContact N-O 3.05Å; I52-I67 HydrophobicContact CB-CD1 4.31Å; I52-I67 HydrophobicContact CG1-CD1 3.83Å; I52-I67 HydrophobicContact CG2-CD1 3.91Å; I52-A73 HydrophobicContact CB-CB 3.82Å; I52-A73 HydrophobicContact CD1-CB 4.08Å; I52-A73 HydrophobicContact CG2-CB 3.73Å |
| 53 | N | 98.3 | Very high | 96.3 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -77.8 | -31.8 | -174.3 | -73.8 | -20.5 | 0 | 0 | 0 | 114.6 | V49 I72 A73 | V49-N53 WeakPolarHBondContact CG1-ND2 3.46Å; V49-N53 WeakPolarHBondContact O-CB 3.33Å; V49-N53 PolarHBondContact O-N 3.32Å; V49-N53 PolarHBondContact O-ND2 3.48Å; N53-I72 WeakPolarHBondContact OD1-CA 3.21Å; N53-A73 PolarHBondContact ND2-O 3.14Å; N53-A73 PolarHBondContact OD1-N 3.24Å |
| 54 | K | 98 | Very high | 96.2 | Very high | 136 Ų | 136 | 50.6 Ų | 50.6 | 59% | 0.591 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -105.7 | -34.8 | -175.2 | -58.8 | 170.4 | 174.9 | 149.1 | 0 | 113.2 | D50 | D50-K54 WeakPolarHBondContact O-CB 3.29Å; D50-K54 PolarHBondContact O-N 3.14Å; D50-K54 WeakPolarHBondContact OD1-CE 3.38Å; D50-K54 IonicContact OD1-NZ 3.49Å; D50-K54 PolarHBondContact OD1-NZ 3.35Å |
| 55 | D | 97.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -107.5 | -9.8 | -175.3 | -52.1 | -7.4 | 0 | 0 | 0 | 111.9 | R46 Y51 I57 | R46-D55 IonicContact CZ-OD1 2.71Å; R46-D55 IonicContact CZ-OD2 3.22Å; R46-D55 VanDerWaalsContact NH1-CG 3.34Å; R46-D55 IonicContact NH1-OD1 3.96Å; R46-D55 PolarHBondContact NH1-OD1 3.02Å; R46-D55 IonicContact NH1-OD2 3.68Å; R46-D55 PolarHBondContact NH1-OD2 3.49Å; R46-D55 IonicContact NH2-OD1 3.24Å; R46-D55 PolarHBondContact NH2-OD1 2.93Å; R46-D55 IonicContact NH2-OD2 3.57Å; R46-D55 PolarHBondContact NH2-OD2 3.46Å; R46-D55 VanDerWaalsContact NH2-OD2 3.13Å; Y51-D55 VanDerWaalsContact CD1-OD2 3.28Å; Y51-D55 WeakPolarHBondContact CD1-OD2 3.47Å; Y51-D55 CarbonylContact O-C 3.59Å; Y51-D55 WeakPolarHBondContact O-CA 3.16Å; Y51-D55 WeakPolarHBondContact O-CB 3.3Å; Y51-D55 PolarHBondContact O-N 3.48Å; D55-I57 VanDerWaalsContact C-N 3.28Å; D55-I57 HydrophobicContact CB-CD1 4.2Å; D55-I57 HydrophobicContact CB-CG1 3.72Å; D55-I57 PolarHBondContact O-N 3.13Å |
| 56 | H | 98.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | trans | 56.5 | 40.8 | 179.8 | -62.8 | -57.1 | 0 | 0 | 0 | 113.2 | Y51 I52 T66 I67 N69 | Y51-H56 PolarHBondContact O-N 3.04Å; I52-H56 VanDerWaalsContact O-CA 3.31Å; I52-H56 WeakPolarHBondContact O-CA 3.25Å; I52-H56 PolarHBondContact O-N 3.41Å; I52-H56 PolarHBondContact O-ND1 2.94Å; H56-T66 HydrophobicContact CB-CG2 4.43Å; H56-T66 WeakPolarHBondContact O-CA 3.39Å; H56-I67 WeakPolarHBondContact CB-O 3.33Å; H56-I67 PolarHBondContact O-N 3.04Å; H56-N69 PolarHBondContact CD2-OD1 3.12Å; H56-N69 PolarHBondContact NE2-OD1 3.46Å | ||
| 57 | I | 97.7 | Very high | 96.5 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.1 | 177.8 | 54.9 | 165.8 | 0 | 0 | 0 | 111.5 | Y51 I52 D55 P59 | Y51-I57 CarbonylContact C-O 3.46Å; Y51-I57 HydrophobicContact CD1-CD1 4.26Å; Y51-I57 HydrophobicContact CD1-CG1 4.42Å; I52-I57 WeakPolarHBondContact CG1-O 3.35Å; I52-I57 PolarHBondContact N-O 3.05Å; D55-I57 VanDerWaalsContact C-N 3.28Å; D55-I57 HydrophobicContact CB-CD1 4.2Å; D55-I57 HydrophobicContact CB-CG1 3.72Å; D55-I57 PolarHBondContact O-N 3.13Å; I57-P59 HydrophobicContact CD1-CB 4.49Å; I57-P59 WeakPolarHBondContact O-CD 3.33Å |
| 58 | N | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 85.2 | 166 | -175 | -19.7 | 0 | 0 | 0 | 109.1 | G9 T14 V60 Y61 L62 P63 I67 | G9-N58 PolarHBondContact O-ND2 3.48Å; T14-N58 HydrophobicContact CG2-CB 4.03Å; T14-N58 PolarHBondContact OG1-ND2 3.21Å; N58-V60 PolarHBondContact O-N 3.17Å; N58-V60 VanDerWaalsContact O-N 3.09Å; N58-V60 PolarHBondContact OD1-N 3.12Å; N58-Y61 WeakPolarHBondContact OD1-CD2 3.3Å; N58-Y61 PolarHBondContact OD1-N 3.48Å; N58-L62 HydrophobicContact CB-CB 4.48Å; N58-L62 CarbonylContact O-C 3.56Å; N58-L62 PolarHBondContact O-N 2.71Å; N58-P63 WeakPolarHBondContact O-CA 3.48Å; N58-I67 HydrophobicContact CB-CD1 4.09Å |
| 59 | P | 95.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 20% | 0.195 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -16.2 | -173.8 | 27.7 | -36 | 0 | 0 | 0 | 113.4 | L48 Y51 I57 | L48-P59 HydrophobicContact CD1-CG 4.48Å; Y51-P59 HydrophobicContact CD1-CG 3.91Å; Y51-P59 HydrophobicContact CD2-CG 3.97Å; Y51-P59 HydrophobicContact CE1-CG 4.21Å; Y51-P59 HydrophobicContact CE2-CG 4.25Å; Y51-P59 HydrophobicContact CG-CG 3.78Å; I57-P59 HydrophobicContact CD1-CB 4.49Å; I57-P59 WeakPolarHBondContact O-CD 3.33Å |
| 60 | V | 94 | Very high | 96.6 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -46.6 | -176.2 | -179 | 0 | 0 | 0 | 0 | 111.7 | H43 L48 N58 K308 | H43-V60 HydrophobicContact CB-CG2 3.55Å; L48-V60 HydrophobicContact CD1-CG2 4.18Å; N58-V60 PolarHBondContact O-N 3.17Å; N58-V60 VanDerWaalsContact O-N 3.09Å; N58-V60 PolarHBondContact OD1-N 3.12Å; V60-K308 HydrophobicContact CG1-CD 3.58Å; V60-K308 HydrophobicContact CG1-CG 4.39Å; V60-K308 VanDerWaalsContact CG1-NZ 3.35Å |
| 61 | Y | 94.2 | Very high | 96.7 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -18.9 | -169.1 | -54.2 | -79.8 | 0 | 0 | 0 | 114.6 | G9 A11 E41 L48 N58 I276 K308 | G9-Y61 WeakPolarHBondContact O-CD2 3.36Å; A11-Y61 WeakPolarHBondContact CB-O 3.18Å; A11-Y61 VanDerWaalsContact N-CB 3.33Å; E41-Y61 VanDerWaalsContact CD-OH 3.25Å; E41-Y61 WeakPolarHBondContact OE1-CE2 3.48Å; E41-Y61 PolarHBondContact OE1-OH 3.26Å; E41-Y61 PolarHBondContact OE2-OH 3.12Å; L48-Y61 HydrophobicContact CD2-CD2 4.03Å; L48-Y61 HydrophobicContact CD2-CE2 3.73Å; N58-Y61 WeakPolarHBondContact OD1-CD2 3.3Å; N58-Y61 PolarHBondContact OD1-N 3.48Å; Y61-I276 VanDerWaalsContact O-CG2 3.28Å; Y61-I276 WeakPolarHBondContact O-CG2 3.38Å; Y61-K308 HydrophobicContact CE1-CB 3.9Å; Y61-K308 HydrophobicContact CE1-CG 4.24Å |
| 62 | L | 95.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 62.3 | 178.8 | -159.9 | 65.2 | 0 | 0 | 0 | 110.8 | A11 T14 A15 N58 S64 I65 A153 I154 A157 | A11-L62 HydrophobicContact CB-CD1 4.46Å; T14-L62 HydrophobicContact CG2-CB 4.28Å; T14-L62 HydrophobicContact CG2-CD2 3.89Å; A15-L62 HydrophobicContact CB-CD2 4.21Å; N58-L62 HydrophobicContact CB-CB 4.48Å; N58-L62 CarbonylContact O-C 3.56Å; N58-L62 PolarHBondContact O-N 2.71Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.08Å; L62-I65 HydrophobicContact CD1-CG1 4.17Å; L62-I65 HydrophobicContact CD2-CB 3.92Å; L62-I65 HydrophobicContact CD2-CG1 3.78Å; L62-I65 HydrophobicContact CD2-CG2 4.15Å; L62-I65 HydrophobicContact CG-CB 3.88Å; L62-I65 HydrophobicContact CG-CG1 3.59Å; L62-I65 PolarHBondContact O-N 3.05Å; L62-A153 HydrophobicContact CD1-CB 4.32Å; L62-I154 HydrophobicContact CD1-CG1 3.67Å; L62-A157 HydrophobicContact CD2-CB 3.98Å |
| 63 | P | 92.7 | Very high | 96.7 | Very high | 81 Ų | 81 | 44.3 Ų | 44.3 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -22.3 | -164.7 | 25.7 | -35.5 | 0 | 0 | 0 | 115.2 | N58 I65 | N58-P63 WeakPolarHBondContact O-CA 3.48Å; P63-I65 VanDerWaalsContact C-N 3.31Å |
| 64 | S | 90.9 | Very high | 96.7 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 56% | 0.559 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -0.4 | -178.3 | 55 | 0 | 0 | 0 | 0 | 114.1 | L62 | L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.08Å |
| 65 | I | 95.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.9 | -170.4 | -60.3 | -60.5 | 0 | 0 | 0 | 110.9 | K18 L62 P63 A157 E158 | K18-I65 HydrophobicContact CD-CG2 3.74Å; L62-I65 HydrophobicContact CD1-CG1 4.17Å; L62-I65 HydrophobicContact CD2-CB 3.92Å; L62-I65 HydrophobicContact CD2-CG1 3.78Å; L62-I65 HydrophobicContact CD2-CG2 4.15Å; L62-I65 HydrophobicContact CG-CB 3.88Å; L62-I65 HydrophobicContact CG-CG1 3.59Å; L62-I65 PolarHBondContact O-N 3.05Å; P63-I65 VanDerWaalsContact C-N 3.31Å; I65-A157 HydrophobicContact CB-CB 4.37Å; I65-A157 HydrophobicContact CD1-CB 3.61Å; I65-A157 HydrophobicContact CG1-CB 3.61Å; I65-A157 HydrophobicContact CG2-CB 3.9Å; I65-E158 HydrophobicContact CD1-CG 3.95Å |
| 66 | T | 97.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 39.5 Ų | 39.5 | 61% | 0.607 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.2 | 166.6 | -51.1 | 0 | 0 | 0 | 0 | 109.9 | H56 | H56-T66 HydrophobicContact CB-CG2 4.43Å; H56-T66 WeakPolarHBondContact O-CA 3.39Å |
| 67 | I | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 136.5 | 177.2 | -57.3 | 173.8 | 0 | 0 | 0 | 108.5 | T14 I52 H56 N58 V71 | T14-I67 HydrophobicContact CG2-CD1 3.74Å; T14-I67 HydrophobicContact CG2-CG1 3.86Å; I52-I67 HydrophobicContact CB-CD1 4.31Å; I52-I67 HydrophobicContact CG1-CD1 3.83Å; I52-I67 HydrophobicContact CG2-CD1 3.91Å; H56-I67 WeakPolarHBondContact CB-O 3.33Å; H56-I67 PolarHBondContact O-N 3.04Å; N58-I67 HydrophobicContact CB-CD1 4.09Å; I67-V71 HydrophobicContact CG2-CB 3.57Å; I67-V71 HydrophobicContact CG2-CG1 3.86Å; I67-V71 HydrophobicContact CG2-CG2 3.76Å |
| 68 | P | 98 | Very high | 96.5 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 143.6 | 176.6 | -27.7 | 38.1 | 0 | 0 | 0 | 113.2 | K18 A21 D22 N70 V71 | K18-P68 HydrophobicContact CB-CG 4.35Å; K18-P68 HydrophobicContact CG-CG 3.91Å; A21-P68 HydrophobicContact CB-CB 3.85Å; A21-P68 HydrophobicContact CB-CG 3.96Å; D22-P68 WeakPolarHBondContact OD1-CG 3.38Å; P68-N70 WeakPolarHBondContact CB-OD1 3.4Å; P68-N70 PolarHBondContact O-N 3.36Å; P68-V71 HydrophobicContact CB-CG2 4.39Å; P68-V71 WeakPolarHBondContact O-CB 3.38Å; P68-V71 PolarHBondContact O-N 3.41Å |
| 69 | N | 97.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 41.8 Ų | 41.8 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.1 | -174.9 | -63.9 | -9.2 | 0 | 0 | 0 | 114.2 | H56 V71 | H56-N69 PolarHBondContact CD2-OD1 3.12Å; H56-N69 PolarHBondContact NE2-OD1 3.46Å; N69-V71 VanDerWaalsContact C-N 3.31Å |
| 70 | N | 98.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.6 | 177.2 | 60.5 | -37.9 | 0 | 0 | 0 | 113.6 | A21 S25 G32 I34 P68 | A21-N70 PolarHBondContact O-ND2 2.94Å; S25-N70 PolarHBondContact OG-ND2 3.37Å; G32-N70 WeakPolarHBondContact O-CB 3.46Å; G32-N70 PolarHBondContact O-ND2 2.87Å; I34-N70 PolarHBondContact N-O 3.27Å; P68-N70 WeakPolarHBondContact CB-OD1 3.4Å; P68-N70 PolarHBondContact O-N 3.36Å |
| 71 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.7 | 166.7 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | A17 A21 I34 M36 I67 P68 N69 | A17-V71 HydrophobicContact CB-CG1 4.24Å; A17-V71 HydrophobicContact CB-CG2 4.48Å; A21-V71 HydrophobicContact CB-CG2 3.43Å; A21-V71 VanDerWaalsContact CB-CG2 3.43Å; I34-V71 HydrophobicContact CB-CG2 4.42Å; I34-V71 CarbonylContact O-C 3.54Å; I34-V71 WeakPolarHBondContact O-CA 3.26Å; M36-V71 HydrophobicContact CB-CG1 4.25Å; M36-V71 HydrophobicContact SD-CG1 4.26Å; I67-V71 HydrophobicContact CG2-CB 3.57Å; I67-V71 HydrophobicContact CG2-CG1 3.86Å; I67-V71 HydrophobicContact CG2-CG2 3.76Å; P68-V71 HydrophobicContact CB-CG2 4.39Å; P68-V71 WeakPolarHBondContact O-CB 3.38Å; P68-V71 PolarHBondContact O-N 3.41Å; N69-V71 VanDerWaalsContact C-N 3.31Å |
| 72 | I | 98.5 | Very high | 97 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 33% | 0.328 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.4 | 179.2 | -53 | -62.3 | 0 | 0 | 0 | 109 | R33 I34 V35 M36 N53 | R33-I72 HydrophobicContact CG-CG1 4.13Å; I34-I72 PolarHBondContact O-N 3.42Å; V35-I72 CarbonylContact C-O 3.57Å; V35-I72 WeakPolarHBondContact CA-O 3.44Å; M36-I72 PolarHBondContact N-O 3.37Å; N53-I72 WeakPolarHBondContact OD1-CA 3.21Å |
| 73 | A | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 141.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M36 V38 V49 I52 N53 | M36-A73 CarbonylContact O-C 3.54Å; M36-A73 WeakPolarHBondContact O-CA 3.33Å; V38-A73 HydrophobicContact CB-CB 4.38Å; V38-A73 HydrophobicContact CG2-CB 3.74Å; V49-A73 HydrophobicContact CB-CB 4.28Å; V49-A73 HydrophobicContact CG1-CB 3.98Å; V49-A73 WeakPolarHBondContact CG1-O 3.46Å; V49-A73 HydrophobicContact CG2-CB 4.28Å; I52-A73 HydrophobicContact CB-CB 3.82Å; I52-A73 HydrophobicContact CD1-CB 4.08Å; I52-A73 HydrophobicContact CG2-CB 3.73Å; N53-A73 PolarHBondContact ND2-O 3.14Å; N53-A73 PolarHBondContact OD1-N 3.24Å |
| 74 | N | 98.2 | Very high | 97.4 | Very high | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 137.8 | 172.2 | -172 | -13.6 | 0 | 0 | 0 | 109.6 | V35 M36 Y37 V38 N76 E79 V80 | V35-N74 HydrophobicContact CG1-CB 4.46Å; M36-N74 PolarHBondContact O-N 3.08Å; Y37-N74 WeakPolarHBondContact CA-O 3.39Å; V38-N74 PolarHBondContact N-O 3.19Å; V38-N74 VanDerWaalsContact N-O 3.08Å; N74-N76 PolarHBondContact OD1-N 3.42Å; N74-E79 PolarHBondContact ND2-OE2 2.88Å; N74-V80 HydrophobicContact CB-CG2 3.77Å |
| 75 | S | 97.5 | Very high | 97.8 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -89.3 | -7.4 | 177 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | Y37 V38 I77 | Y37-S75 VanDerWaalsContact CE2-O 3.31Å; Y37-S75 WeakPolarHBondContact CE2-O 3.26Å; V38-S75 VanDerWaalsContact O-CA 3.27Å; V38-S75 WeakPolarHBondContact O-CA 3.49Å; V38-S75 WeakPolarHBondContact O-CB 3.42Å; S75-I77 PolarHBondContact O-N 3.48Å |
| 76 | N | 97.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 33% | 0.326 | 22% | 0.216 | S | C | . | . | trans | -89.2 | 100.6 | 170 | -172.2 | -18.2 | 0 | 0 | 0 | 110.5 | N74 A78 E79 V80 | N74-N76 PolarHBondContact OD1-N 3.42Å; N76-A78 VanDerWaalsContact C-N 3.27Å; N76-A78 PolarHBondContact O-N 3.21Å; N76-A78 WeakPolarHBondContact OD1-CB 3.43Å; N76-A78 PolarHBondContact OD1-N 2.81Å; N76-E79 HydrophobicContact CB-CB 4.16Å; N76-E79 HydrophobicContact CB-CG 4.11Å; N76-E79 VanDerWaalsContact ND2-CD 3.27Å; N76-E79 WeakPolarHBondContact ND2-CG 3.14Å; N76-E79 PolarHBondContact ND2-OE1 3.34Å; N76-E79 PolarHBondContact O-N 3.44Å; N76-E79 PolarHBondContact OD1-N 2.88Å; N76-V80 VanDerWaalsContact O-CG2 3.27Å; N76-V80 WeakPolarHBondContact O-CG2 3.47Å; N76-V80 PolarHBondContact O-N 3.39Å; N76-V80 VanDerWaalsContact O-N 3.15Å | ||
| 77 | I | 97 | Very high | 97.9 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -30.1 | -178 | -161.7 | 177.2 | 0 | 0 | 0 | 113.5 | L7 Y37 S75 V80 V81 L99 Q102 I103 | L7-I77 HydrophobicContact CD2-CD1 4.47Å; L7-I77 HydrophobicContact CD2-CG1 4.14Å; Y37-I77 HydrophobicContact CD1-CB 4.49Å; Y37-I77 HydrophobicContact CD1-CD1 3.92Å; Y37-I77 HydrophobicContact CD1-CG1 4.05Å; Y37-I77 HydrophobicContact CD2-CB 3.64Å; Y37-I77 HydrophobicContact CD2-CG1 3.95Å; Y37-I77 HydrophobicContact CE1-CD1 4Å; Y37-I77 HydrophobicContact CE1-CG1 4.39Å; Y37-I77 HydrophobicContact CE2-CB 3.71Å; Y37-I77 HydrophobicContact CE2-CG1 4.31Å; Y37-I77 HydrophobicContact CG-CB 4.05Å; Y37-I77 HydrophobicContact CG-CD1 4.21Å; Y37-I77 HydrophobicContact CG-CG1 3.81Å; S75-I77 PolarHBondContact O-N 3.48Å; I77-V80 PolarHBondContact O-N 3.33Å; I77-V81 WeakPolarHBondContact O-CG2 3.42Å; I77-V81 PolarHBondContact O-N 2.97Å; I77-L99 HydrophobicContact CD1-CD1 3.33Å; I77-L99 HydrophobicContact CD1-CG 3.95Å; I77-Q102 HydrophobicContact CD1-CB 4.28Å; I77-Q102 HydrophobicContact CG2-CB 3.64Å; I77-I103 HydrophobicContact CD1-CG2 3.55Å; I77-I103 HydrophobicContact CG1-CG2 3.61Å; I77-I103 HydrophobicContact CG2-CG2 4.44Å |
| 78 | A | 97 | Very high | 98 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N76 V80 V81 S82 H106 | N76-A78 VanDerWaalsContact C-N 3.27Å; N76-A78 PolarHBondContact O-N 3.21Å; N76-A78 WeakPolarHBondContact OD1-CB 3.43Å; N76-A78 PolarHBondContact OD1-N 2.81Å; A78-V80 VanDerWaalsContact C-N 3.34Å; A78-V81 WeakPolarHBondContact O-CG2 3.44Å; A78-V81 PolarHBondContact O-N 3.22Å; A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.92Å; A78-S82 VanDerWaalsContact O-N 3.07Å; A78-H106 HydrophobicContact CB-CB 4.39Å |
| 79 | E | 97.5 | Very high | 97.9 | Very high | 110 Ų | 110 | 32.7 Ų | 32.7 | 51% | 0.514 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.9 | -34.8 | 174.3 | -71.9 | 171.6 | -155.9 | 0 | 0 | 112.4 | N74 N76 V81 S82 | N74-E79 PolarHBondContact ND2-OE2 2.88Å; N76-E79 HydrophobicContact CB-CB 4.16Å; N76-E79 HydrophobicContact CB-CG 4.11Å; N76-E79 VanDerWaalsContact ND2-CD 3.27Å; N76-E79 WeakPolarHBondContact ND2-CG 3.14Å; N76-E79 PolarHBondContact ND2-OE1 3.34Å; N76-E79 PolarHBondContact O-N 3.44Å; N76-E79 PolarHBondContact OD1-N 2.88Å; E79-V81 VanDerWaalsContact C-N 3.32Å; E79-V81 PolarHBondContact O-N 3.12Å; E79-S82 PolarHBondContact O-OG 3.4Å |
| 80 | V | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 178.9 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A5 L7 V35 N74 N76 I77 A78 | A5-V80 HydrophobicContact CB-CG1 3.82Å; A5-V80 WeakPolarHBondContact CB-O 3.4Å; L7-V80 HydrophobicContact CD2-CG1 3.88Å; V35-V80 HydrophobicContact CG1-CB 4.29Å; V35-V80 HydrophobicContact CG1-CG1 4.17Å; V35-V80 HydrophobicContact CG1-CG2 3.96Å; N74-V80 HydrophobicContact CB-CG2 3.77Å; N76-V80 VanDerWaalsContact O-CG2 3.27Å; N76-V80 WeakPolarHBondContact O-CG2 3.47Å; N76-V80 PolarHBondContact O-N 3.39Å; N76-V80 VanDerWaalsContact O-N 3.15Å; I77-V80 PolarHBondContact O-N 3.33Å; A78-V80 VanDerWaalsContact C-N 3.34Å |
| 81 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -94.4 | -17.7 | -174 | -59.3 | 0 | 0 | 0 | 0 | 114.6 | L7 I77 A78 E79 D83 A84 I87 I103 H106 V107 | L7-V81 HydrophobicContact CD1-CG1 4.25Å; L7-V81 HydrophobicContact CD2-CG1 3.82Å; I77-V81 WeakPolarHBondContact O-CG2 3.42Å; I77-V81 PolarHBondContact O-N 2.97Å; A78-V81 WeakPolarHBondContact O-CG2 3.44Å; A78-V81 PolarHBondContact O-N 3.22Å; E79-V81 VanDerWaalsContact C-N 3.32Å; E79-V81 PolarHBondContact O-N 3.12Å; V81-D83 PolarHBondContact O-N 2.83Å; V81-A84 PolarHBondContact O-N 3.35Å; V81-A84 VanDerWaalsContact O-N 3.09Å; V81-I87 HydrophobicContact CB-CD1 4.01Å; V81-I87 HydrophobicContact CG1-CD1 4.14Å; V81-I87 HydrophobicContact CG1-CG2 4.37Å; V81-I103 HydrophobicContact CB-CG2 4.44Å; V81-I103 HydrophobicContact CG1-CB 4.41Å; V81-I103 HydrophobicContact CG1-CG2 3.78Å; V81-I103 HydrophobicContact CG2-CB 3.96Å; V81-I103 HydrophobicContact CG2-CG2 3.93Å; V81-H106 HydrophobicContact CG2-CB 3.9Å; V81-V107 HydrophobicContact CB-CG2 4.46Å; V81-V107 HydrophobicContact CG2-CG2 4.27Å |
| 82 | S | 97.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 29.7 Ų | 29.7 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.2 | -36.7 | -170 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | A78 E79 H106 K108 | A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.92Å; A78-S82 VanDerWaalsContact O-N 3.07Å; E79-S82 PolarHBondContact O-OG 3.4Å; S82-H106 WeakPolarHBondContact CA-O 3.44Å; S82-K108 WeakPolarHBondContact O-CG 3.26Å |
| 83 | D | 96.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 27.7 Ų | 27.7 | 44% | 0.439 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -1.4 | -179.3 | -74.1 | -39.3 | 0 | 0 | 0 | 113.8 | Q3 V81 K108 | Q3-D83 WeakPolarHBondContact CB-O 3.3Å; V81-D83 PolarHBondContact O-N 2.83Å; D83-K108 WeakPolarHBondContact O-CE 3.34Å; D83-K108 PolarHBondContact O-NZ 3.23Å |
| 84 | A | 98.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | trans | -79 | 130.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A5 V81 I87 A111 | A5-A84 HydrophobicContact CB-CB 3.52Å; V81-A84 PolarHBondContact O-N 3.35Å; V81-A84 VanDerWaalsContact O-N 3.09Å; A84-I87 HydrophobicContact CB-CD1 4.49Å; A84-I87 HydrophobicContact CB-CG1 3.8Å; A84-A111 WeakPolarHBondContact O-CB 3.36Å | ||
| 85 | D | 98.6 | Very high | 94.7 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 19% | 0.193 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -90.5 | -25.3 | 170 | -51.9 | -64.3 | 0 | 0 | 0 | 110.8 | K2 Q3 K108 A111 Y112 | K2-D85 VanDerWaalsContact CA-OD2 3.27Å; K2-D85 WeakPolarHBondContact CA-OD2 3.32Å; K2-D85 HydrophobicContact CB-CB 4.12Å; K2-D85 HydrophobicContact CG-CB 4.22Å; Q3-D85 PolarHBondContact N-OD2 3.41Å; Q3-D85 PolarHBondContact O-N 3.07Å; D85-K108 WeakPolarHBondContact OD1-CD 3.27Å; D85-K108 IonicContact OD1-NZ 2.77Å; D85-K108 PolarHBondContact OD1-NZ 3.36Å; D85-K108 IonicContact OD2-NZ 3.84Å; D85-A111 VanDerWaalsContact O-CA 3.25Å; D85-A111 WeakPolarHBondContact O-CA 3.46Å; D85-Y112 PolarHBondContact O-N 3.47Å; D85-Y112 VanDerWaalsContact O-N 3.16Å |
| 86 | I | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.8 | 175.8 | -49.8 | 176.9 | 0 | 0 | 0 | 108.4 | Q3 V4 A5 F30 Y112 V114 E176 L180 | Q3-I86 PolarHBondContact O-N 3.15Å; Q3-I86 VanDerWaalsContact O-N 3.12Å; V4-I86 WeakPolarHBondContact CA-O 3.42Å; V4-I86 HydrophobicContact CG1-CB 4.41Å; V4-I86 HydrophobicContact CG2-CB 4.2Å; V4-I86 HydrophobicContact CG2-CD1 4.23Å; A5-I86 PolarHBondContact N-O 2.93Å; F30-I86 HydrophobicContact CD1-CD1 4.21Å; F30-I86 HydrophobicContact CE1-CD1 3.75Å; I86-Y112 HydrophobicContact CD1-CE1 4.29Å; I86-Y112 VanDerWaalsContact CD1-OH 3.3Å; I86-Y112 WeakPolarHBondContact CD1-OH 3.48Å; I86-Y112 HydrophobicContact CG1-CE1 3.73Å; I86-Y112 HydrophobicContact CG2-CE2 4.04Å; I86-V114 HydrophobicContact CG2-CG2 3.7Å; I86-E176 HydrophobicContact CD1-CG 4.29Å; I86-L180 HydrophobicContact CD1-CD2 4.07Å; I86-L180 HydrophobicContact CG2-CD2 4.17Å |
| 87 | I | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 107.1 | -179.9 | -59.1 | 172.3 | 0 | 0 | 0 | 109.5 | L7 V81 A84 V107 Y112 F113 V114 | L7-I87 HydrophobicContact CD1-CG2 3.5Å; L7-I87 VanDerWaalsContact CD1-CG2 3.5Å; L7-I87 HydrophobicContact CG-CG2 3.81Å; V81-I87 HydrophobicContact CB-CD1 4.01Å; V81-I87 HydrophobicContact CG1-CD1 4.14Å; V81-I87 HydrophobicContact CG1-CG2 4.37Å; A84-I87 HydrophobicContact CB-CD1 4.49Å; A84-I87 HydrophobicContact CB-CG1 3.8Å; I87-V107 HydrophobicContact CD1-CB 4.33Å; I87-V107 HydrophobicContact CD1-CG1 3.55Å; I87-V107 HydrophobicContact CD1-CG2 3.86Å; I87-Y112 PolarHBondContact N-O 3.44Å; I87-F113 HydrophobicContact CB-CD1 3.75Å; I87-F113 HydrophobicContact CB-CE1 3.84Å; I87-F113 HydrophobicContact CB-CG 4.48Å; I87-F113 HydrophobicContact CD1-CE1 3.94Å; I87-F113 HydrophobicContact CD1-CZ 4Å; I87-F113 HydrophobicContact CG1-CE1 4.5Å; I87-F113 HydrophobicContact CG2-CD1 3.76Å; I87-F113 HydrophobicContact CG2-CE1 3.66Å; I87-F113 CarbonylContact O-C 3.59Å; I87-F113 VanDerWaalsContact O-CA 3.26Å; I87-F113 WeakPolarHBondContact O-CA 3.42Å; I87-V114 PolarHBondContact O-N 3.36Å |
| 88 | V | 98.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.8 | 178.1 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | V4 A5 V6 L7 I16 I20 V114 F116 | V4-V88 HydrophobicContact CG1-CG2 4.09Å; A5-V88 PolarHBondContact O-N 3.19Å; V6-V88 HydrophobicContact CG2-CB 4.23Å; L7-V88 PolarHBondContact N-O 3.42Å; I16-V88 HydrophobicContact CG2-CG1 4.09Å; I20-V88 HydrophobicContact CD1-CG2 3.97Å; V88-V114 CarbonylContact C-O 3.47Å; V88-V114 WeakPolarHBondContact CA-O 3.11Å; V88-V114 HydrophobicContact CG2-CB 4.23Å; V88-V114 HydrophobicContact CG2-CG2 4.49Å; V88-F116 HydrophobicContact CG1-CD2 3.61Å; V88-F116 HydrophobicContact CG1-CE2 3.53Å |
| 89 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 99.1 | 176.7 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | V96 L99 F113 V114 F116 I136 | V89-V96 HydrophobicContact CG1-CG1 4.3Å; V89-V96 HydrophobicContact CG1-CG2 4.06Å; V89-L99 HydrophobicContact CG1-CD2 3.83Å; V89-F113 HydrophobicContact CG2-CD1 3.83Å; V89-V114 PolarHBondContact N-O 3.16Å; V89-F116 PolarHBondContact O-N 3.03Å; V89-I136 HydrophobicContact CG2-CD1 4.26Å |
| 90 | A | 93.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | trans | -116.2 | 58.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L7 F116 | L7-A90 CarbonylContact O-C 3.52Å; L7-A90 PolarHBondContact O-N 3.45Å; L7-A90 VanDerWaalsContact O-N 3.16Å; A90-F116 HydrophobicContact CB-CB 4.46Å | ||
| 91 | Y | 87.3 | Confident | 93.3 | Very high | 39 Ų | 39 | 40 Ų | 40 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -127.2 | 150.6 | -170.7 | -144.1 | -99.3 | 0 | 0 | 0 | 109.9 | Y37 S93 Y95 C117 | Y37-Y91 HydrophobicContact CE1-CE2 4.48Å; Y91-S93 PolarHBondContact O-N 3.44Å; Y91-Y95 HydrophobicContact CD1-CD2 4.29Å; Y91-Y95 HydrophobicContact CD1-CG 4.38Å; Y91-Y95 VanDerWaalsContact CE1-CB 3.42Å; Y91-Y95 AromaticContact CE1-CD2 3.89Å; Y91-Y95 HydrophobicContact CE1-CD2 3.89Å; Y91-Y95 AromaticContact CE1-CG 3.94Å; Y91-Y95 HydrophobicContact CE1-CG 3.94Å; Y91-C117 PolarHBondContact O-SG 3.34Å |
| 92 | P | 84.9 | Confident | 93.2 | Very high | 38 Ų | 38 | 44 Ų | 44 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | trans | -58.4 | 132 | 176.4 | -21.9 | 30.8 | 0 | 0 | 0 | 111.6 | R94 Y95 T310 | P92-R94 VanDerWaalsContact C-N 3.26Å; P92-R94 PolarHBondContact O-N 3.06Å; P92-R94 VanDerWaalsContact O-N 3.11Å; P92-Y95 HydrophobicContact CB-CD2 3.84Å; P92-Y95 HydrophobicContact CB-CE2 4.26Å; P92-Y95 HydrophobicContact CG-CD2 4.04Å; P92-Y95 HydrophobicContact CG-CE2 4.34Å; P92-Y95 PolarHBondContact O-N 3.1Å; P92-T310 HydrophobicContact CG-CG2 3.91Å | ||
| 93 | S | 85.4 | Confident | 93.1 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -50.8 | -41 | -171.1 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | Y91 Y95 V96 | Y91-S93 PolarHBondContact O-N 3.44Å; S93-Y95 PolarHBondContact O-N 3.05Å; S93-Y95 VanDerWaalsContact O-N 3.13Å; S93-V96 WeakPolarHBondContact O-CB 2.97Å; S93-V96 PolarHBondContact O-N 3.17Å |
| 94 | R | 82.7 | Confident | 92.8 | Very high | 151 Ų | 151 | 43.5 Ų | 43.5 | 57% | 0.57 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -58.6 | -24.2 | 178.6 | 70 | 179.9 | -178.6 | -127.7 | 1.7 | 114.9 | P92 | P92-R94 VanDerWaalsContact C-N 3.26Å; P92-R94 PolarHBondContact O-N 3.06Å; P92-R94 VanDerWaalsContact O-N 3.11Å |
| 95 | Y | 87.5 | Confident | 92.6 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 38% | 0.376 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -99.7 | -6.5 | -180 | -60.2 | -60.5 | 0 | 0 | 0 | 113 | Y91 P92 S93 Q97 W98 L99 | Y91-Y95 HydrophobicContact CD1-CD2 4.29Å; Y91-Y95 HydrophobicContact CD1-CG 4.38Å; Y91-Y95 VanDerWaalsContact CE1-CB 3.42Å; Y91-Y95 AromaticContact CE1-CD2 3.89Å; Y91-Y95 HydrophobicContact CE1-CD2 3.89Å; Y91-Y95 AromaticContact CE1-CG 3.94Å; Y91-Y95 HydrophobicContact CE1-CG 3.94Å; P92-Y95 HydrophobicContact CB-CD2 3.84Å; P92-Y95 HydrophobicContact CB-CE2 4.26Å; P92-Y95 HydrophobicContact CG-CD2 4.04Å; P92-Y95 HydrophobicContact CG-CE2 4.34Å; P92-Y95 PolarHBondContact O-N 3.1Å; S93-Y95 PolarHBondContact O-N 3.05Å; S93-Y95 VanDerWaalsContact O-N 3.13Å; Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 2.94Å; Y95-W98 WeakPolarHBondContact O-CB 3.32Å; Y95-W98 PolarHBondContact O-N 3.35Å; Y95-W98 VanDerWaalsContact O-N 3.09Å; Y95-L99 PolarHBondContact O-N 3.11Å |
| 96 | V | 89.8 | Confident | 92.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -36.4 | -177 | 179.3 | 0 | 0 | 0 | 0 | 111 | V89 S93 W98 L99 I100 V132 M135 I136 | V89-V96 HydrophobicContact CG1-CG1 4.3Å; V89-V96 HydrophobicContact CG1-CG2 4.06Å; S93-V96 WeakPolarHBondContact O-CB 2.97Å; S93-V96 PolarHBondContact O-N 3.17Å; V96-W98 VanDerWaalsContact C-N 3.31Å; V96-W98 PolarHBondContact O-N 3.4Å; V96-L99 WeakPolarHBondContact O-CB 3.41Å; V96-L99 PolarHBondContact O-N 2.97Å; V96-L99 VanDerWaalsContact O-N 3.16Å; V96-I100 HydrophobicContact CG1-CG1 4.1Å; V96-I100 WeakPolarHBondContact O-CG1 3.1Å; V96-I100 PolarHBondContact O-N 3.04Å; V96-V132 HydrophobicContact CB-CG1 4.17Å; V96-V132 HydrophobicContact CG1-CG1 3.84Å; V96-V132 HydrophobicContact CG2-CG1 4.06Å; V96-M135 HydrophobicContact CB-CE 3.63Å; V96-M135 HydrophobicContact CG1-CE 3.47Å; V96-M135 VanDerWaalsContact CG1-CE 3.47Å; V96-I136 HydrophobicContact CG1-CD1 4.23Å; V96-I136 HydrophobicContact CG1-CG1 4.1Å |
| 97 | Q | 90.6 | Very high | 92.5 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 175.6 | -169.2 | -179.9 | 35.2 | 0 | 0 | 112.2 | Y95 R101 M135 | Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 2.94Å; Q97-R101 WeakPolarHBondContact O-CG 3.41Å; Q97-R101 PolarHBondContact O-N 3.23Å; Q97-M135 HydrophobicContact CB-CE 4.27Å; Q97-M135 HydrophobicContact CB-SD 3.81Å; Q97-M135 HydrophobicContact CG-SD 4.2Å |
| 98 | W | 91.8 | Very high | 92.5 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.3 | 168.9 | 87.7 | 0 | 0 | 0 | 110.8 | Y95 V96 I100 R101 Q102 | Y95-W98 WeakPolarHBondContact O-CB 3.32Å; Y95-W98 PolarHBondContact O-N 3.35Å; Y95-W98 VanDerWaalsContact O-N 3.09Å; V96-W98 VanDerWaalsContact C-N 3.31Å; V96-W98 PolarHBondContact O-N 3.4Å; W98-I100 PolarHBondContact O-N 2.92Å; W98-R101 WeakPolarHBondContact O-CB 3.35Å; W98-R101 PolarHBondContact O-N 3.3Å; W98-R101 VanDerWaalsContact O-N 3.13Å; W98-Q102 HydrophobicContact CD2-CG 4.04Å; W98-Q102 HydrophobicContact CE3-CG 4.38Å; W98-Q102 HydrophobicContact CH2-CG 3.98Å; W98-Q102 HydrophobicContact CZ2-CG 3.58Å; W98-Q102 HydrophobicContact CZ3-CG 4.36Å; W98-Q102 WeakPolarHBondContact O-CG 3.49Å; W98-Q102 PolarHBondContact O-N 3.45Å; W98-Q102 VanDerWaalsContact O-N 3.12Å |
| 99 | L | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 179.2 | -167.3 | 81.7 | 0 | 0 | 0 | 111.5 | L7 Y37 I77 V89 Y95 V96 R101 Q102 I103 | L7-L99 HydrophobicContact CB-CD1 4.45Å; L7-L99 HydrophobicContact CB-CD2 3.95Å; L7-L99 HydrophobicContact CD1-CD1 4.47Å; L7-L99 HydrophobicContact CD1-CD2 3.65Å; L7-L99 HydrophobicContact CD1-CG 4.07Å; L7-L99 HydrophobicContact CG-CD2 4.46Å; Y37-L99 HydrophobicContact CD1-CD1 4.29Å; Y37-L99 HydrophobicContact CE1-CD1 4.22Å; I77-L99 HydrophobicContact CD1-CD1 3.33Å; I77-L99 HydrophobicContact CD1-CG 3.95Å; V89-L99 HydrophobicContact CG1-CD2 3.83Å; Y95-L99 PolarHBondContact O-N 3.11Å; V96-L99 WeakPolarHBondContact O-CB 3.41Å; V96-L99 PolarHBondContact O-N 2.97Å; V96-L99 VanDerWaalsContact O-N 3.16Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.35Å; L99-Q102 PolarHBondContact O-N 3.15Å; L99-Q102 VanDerWaalsContact O-N 3.09Å; L99-I103 PolarHBondContact O-N 3.28Å |
| 100 | I | 94.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 178.7 | -64.6 | -55.6 | 0 | 0 | 0 | 111.6 | V96 W98 Q102 I103 N104 F113 I136 Q139 T140 | V96-I100 HydrophobicContact CG1-CG1 4.1Å; V96-I100 WeakPolarHBondContact O-CG1 3.1Å; V96-I100 PolarHBondContact O-N 3.04Å; W98-I100 PolarHBondContact O-N 2.92Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.04Å; I100-I103 HydrophobicContact CD1-CD1 3.8Å; I100-I103 HydrophobicContact CD1-CG1 4.49Å; I100-I103 VanDerWaalsContact O-CG1 3.32Å; I100-I103 WeakPolarHBondContact O-CG1 3.37Å; I100-I103 PolarHBondContact O-N 2.89Å; I100-N104 PolarHBondContact O-N 3.03Å; I100-N104 VanDerWaalsContact O-N 3.17Å; I100-F113 HydrophobicContact CD1-CE1 4.11Å; I100-F113 HydrophobicContact CD1-CZ 4.43Å; I100-I136 HydrophobicContact CD1-CG1 4.14Å; I100-I136 HydrophobicContact CG1-CG1 4.35Å; I100-Q139 HydrophobicContact CG2-CB 3.67Å; I100-T140 HydrophobicContact CD1-CG2 4.09Å; I100-T140 HydrophobicContact CG2-CG2 3.66Å |
| 101 | R | 95.1 | Very high | 92.5 | Very high | 157 Ų | 157 | 68.3 Ų | 68.3 | 59% | 0.592 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 174.5 | -69.7 | 173.5 | -175.9 | 170.7 | 3.8 | 112.5 | Q97 W98 L99 I103 | Q97-R101 WeakPolarHBondContact O-CG 3.41Å; Q97-R101 PolarHBondContact O-N 3.23Å; W98-R101 WeakPolarHBondContact O-CB 3.35Å; W98-R101 PolarHBondContact O-N 3.3Å; W98-R101 VanDerWaalsContact O-N 3.13Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.35Å; R101-I103 VanDerWaalsContact C-N 3.34Å |
| 102 | Q | 95.5 | Very high | 93 | Very high | 84 Ų | 84 | 66.7 Ų | 66.7 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.4 | -31.9 | -179.9 | -60.7 | -51 | -61.5 | 0 | 0 | 113 | I77 W98 L99 I100 | I77-Q102 HydrophobicContact CD1-CB 4.28Å; I77-Q102 HydrophobicContact CG2-CB 3.64Å; W98-Q102 HydrophobicContact CD2-CG 4.04Å; W98-Q102 HydrophobicContact CE3-CG 4.38Å; W98-Q102 HydrophobicContact CH2-CG 3.98Å; W98-Q102 HydrophobicContact CZ2-CG 3.58Å; W98-Q102 HydrophobicContact CZ3-CG 4.36Å; W98-Q102 WeakPolarHBondContact O-CG 3.49Å; W98-Q102 PolarHBondContact O-N 3.45Å; W98-Q102 VanDerWaalsContact O-N 3.12Å; L99-Q102 PolarHBondContact O-N 3.15Å; L99-Q102 VanDerWaalsContact O-N 3.09Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.04Å |
| 103 | I | 96.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -91 | -7.8 | -178.7 | 65.2 | 175.1 | 0 | 0 | 0 | 113.3 | L7 I77 V81 L99 I100 R101 G105 H106 V107 F113 | L7-I103 HydrophobicContact CD1-CD1 4.48Å; I77-I103 HydrophobicContact CD1-CG2 3.55Å; I77-I103 HydrophobicContact CG1-CG2 3.61Å; I77-I103 HydrophobicContact CG2-CG2 4.44Å; V81-I103 HydrophobicContact CB-CG2 4.44Å; V81-I103 HydrophobicContact CG1-CB 4.41Å; V81-I103 HydrophobicContact CG1-CG2 3.78Å; V81-I103 HydrophobicContact CG2-CB 3.96Å; V81-I103 HydrophobicContact CG2-CG2 3.93Å; L99-I103 PolarHBondContact O-N 3.28Å; I100-I103 HydrophobicContact CD1-CD1 3.8Å; I100-I103 HydrophobicContact CD1-CG1 4.49Å; I100-I103 VanDerWaalsContact O-CG1 3.32Å; I100-I103 WeakPolarHBondContact O-CG1 3.37Å; I100-I103 PolarHBondContact O-N 2.89Å; R101-I103 VanDerWaalsContact C-N 3.34Å; I103-G105 PolarHBondContact O-N 2.65Å; I103-H106 WeakPolarHBondContact O-CB 3.28Å; I103-H106 PolarHBondContact O-N 3.47Å; I103-V107 HydrophobicContact CB-CG2 4.05Å; I103-V107 HydrophobicContact CD1-CG2 3.87Å; I103-V107 HydrophobicContact CG1-CG2 4.04Å; I103-F113 HydrophobicContact CD1-CE1 3.69Å; I103-F113 HydrophobicContact CD1-CZ 3.83Å |
| 104 | N | 90.6 | Very high | 94.3 | Very high | 117 Ų | 117 | 63.9 Ų | 63.9 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 135.4 | -177.3 | -167.7 | 19.3 | 0 | 0 | 0 | 110.8 | I100 H106 | I100-N104 PolarHBondContact O-N 3.03Å; I100-N104 VanDerWaalsContact O-N 3.17Å; N104-H106 VanDerWaalsContact C-N 3.25Å; N104-H106 PolarHBondContact O-N 2.84Å; N104-H106 PolarHBondContact O-ND1 3.08Å; N104-H106 VanDerWaalsContact O-ND1 3.11Å |
| 105 | G | 94.1 | Very high | 95 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 76% | 0.763 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -9.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | I103 | I103-G105 PolarHBondContact O-N 2.65Š|
| 106 | H | 97.2 | Very high | 95.3 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -16.1 | -179.1 | -56.8 | 94.4 | 0 | 0 | 0 | 113.3 | A78 V81 S82 I103 N104 | A78-H106 HydrophobicContact CB-CB 4.39Å; V81-H106 HydrophobicContact CG2-CB 3.9Å; S82-H106 WeakPolarHBondContact CA-O 3.44Å; I103-H106 WeakPolarHBondContact O-CB 3.28Å; I103-H106 PolarHBondContact O-N 3.47Å; N104-H106 VanDerWaalsContact C-N 3.25Å; N104-H106 PolarHBondContact O-N 2.84Å; N104-H106 PolarHBondContact O-ND1 3.08Å; N104-H106 VanDerWaalsContact O-ND1 3.11Å |
| 107 | V | 97.9 | Very high | 95.2 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -80.5 | 127.4 | -177.4 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | V81 I87 I103 A111 F113 K142 | V81-V107 HydrophobicContact CB-CG2 4.46Å; V81-V107 HydrophobicContact CG2-CG2 4.27Å; I87-V107 HydrophobicContact CD1-CB 4.33Å; I87-V107 HydrophobicContact CD1-CG1 3.55Å; I87-V107 HydrophobicContact CD1-CG2 3.86Å; I103-V107 HydrophobicContact CB-CG2 4.05Å; I103-V107 HydrophobicContact CD1-CG2 3.87Å; I103-V107 HydrophobicContact CG1-CG2 4.04Å; V107-A111 HydrophobicContact CG1-CB 3.71Å; V107-F113 HydrophobicContact CG1-CZ 4.33Å; V107-F113 HydrophobicContact CG2-CZ 4.3Å; V107-K142 HydrophobicContact CG1-CD 3.72Å |
| 108 | K | 97.7 | Very high | 94.6 | Very high | 66 Ų | 66 | 52.1 Ų | 52.1 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | trans | -49.2 | 146 | 173.4 | -71.6 | 175.9 | 167.5 | 172.2 | 0 | 112.5 | S82 D83 D85 N110 A111 K142 | S82-K108 WeakPolarHBondContact O-CG 3.26Å; D83-K108 WeakPolarHBondContact O-CE 3.34Å; D83-K108 PolarHBondContact O-NZ 3.23Å; D85-K108 WeakPolarHBondContact OD1-CD 3.27Å; D85-K108 IonicContact OD1-NZ 2.77Å; D85-K108 PolarHBondContact OD1-NZ 3.36Å; D85-K108 IonicContact OD2-NZ 3.84Å; K108-N110 VanDerWaalsContact C-N 3.31Å; K108-N110 PolarHBondContact O-N 3.09Å; K108-A111 HydrophobicContact CB-CB 4.11Å; K108-A111 PolarHBondContact O-N 3.01Å; K108-K142 WeakPolarHBondContact O-CE 3.15Å | ||
| 109 | E | 95.7 | Very high | 93.5 | Very high | 172 Ų | 172 | 47.7 Ų | 47.7 | 80% | 0.804 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -45.9 | 178.9 | -172.4 | 174.7 | -174.7 | 0 | 0 | 112.9 | ||
| 110 | N | 95.9 | Very high | 92.8 | Very high | 144 Ų | 144 | 48 Ų | 48 | 77% | 0.77 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.2 | -176 | -64.7 | -36.4 | 0 | 0 | 0 | 114.7 | K108 | K108-N110 VanDerWaalsContact C-N 3.31Å; K108-N110 PolarHBondContact O-N 3.09Å |
| 111 | A | 98.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | trans | -72.6 | 153.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A84 D85 V107 K108 K142 | A84-A111 WeakPolarHBondContact O-CB 3.36Å; D85-A111 VanDerWaalsContact O-CA 3.25Å; D85-A111 WeakPolarHBondContact O-CA 3.46Å; V107-A111 HydrophobicContact CG1-CB 3.71Å; K108-A111 HydrophobicContact CB-CB 4.11Å; K108-A111 PolarHBondContact O-N 3.01Å; A111-K142 WeakPolarHBondContact O-CD 3.43Å; A111-K142 WeakPolarHBondContact O-CG 3.44Å | ||
| 112 | Y | 98.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 167 | 170.1 | 71.3 | -86.9 | 0 | 0 | 0 | 111.7 | D85 I86 I87 V114 S143 V145 H173 E176 V177 | D85-Y112 PolarHBondContact O-N 3.47Å; D85-Y112 VanDerWaalsContact O-N 3.16Å; I86-Y112 HydrophobicContact CD1-CE1 4.29Å; I86-Y112 VanDerWaalsContact CD1-OH 3.3Å; I86-Y112 WeakPolarHBondContact CD1-OH 3.48Å; I86-Y112 HydrophobicContact CG1-CE1 3.73Å; I86-Y112 HydrophobicContact CG2-CE2 4.04Å; I87-Y112 PolarHBondContact N-O 3.44Å; Y112-V114 HydrophobicContact CD2-CG2 4.45Å; Y112-V114 HydrophobicContact CE2-CG2 3.97Å; Y112-S143 WeakPolarHBondContact CB-O 3.32Å; Y112-V145 HydrophobicContact CE2-CG2 4.45Å; Y112-H173 AromaticContact CD1-CD2 3.8Å; Y112-H173 AromaticContact CD1-NE2 3.77Å; Y112-H173 HydrophobicContact CD2-CB 4.25Å; Y112-H173 AromaticContact CE1-CD2 3.81Å; Y112-H173 HydrophobicContact CE2-CB 4.08Å; Y112-H173 AromaticContact CG-ND1 3.98Å; Y112-E176 WeakPolarHBondContact CE1-OE1 3.24Å; Y112-E176 WeakPolarHBondContact OH-CG 3.31Å; Y112-E176 PolarHBondContact OH-OE1 2.76Å; Y112-V177 HydrophobicContact CE2-CG2 3.83Å |
| 113 | F | 98.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 151.4 | -174.6 | -67.2 | -94.4 | 0 | 0 | 0 | 112.5 | I87 V89 I100 I103 V107 I136 T140 K142 S143 C144 V145 | I87-F113 HydrophobicContact CB-CD1 3.75Å; I87-F113 HydrophobicContact CB-CE1 3.84Å; I87-F113 HydrophobicContact CB-CG 4.48Å; I87-F113 HydrophobicContact CD1-CE1 3.94Å; I87-F113 HydrophobicContact CD1-CZ 4Å; I87-F113 HydrophobicContact CG1-CE1 4.5Å; I87-F113 HydrophobicContact CG2-CD1 3.76Å; I87-F113 HydrophobicContact CG2-CE1 3.66Å; I87-F113 CarbonylContact O-C 3.59Å; I87-F113 VanDerWaalsContact O-CA 3.26Å; I87-F113 WeakPolarHBondContact O-CA 3.42Å; V89-F113 HydrophobicContact CG2-CD1 3.83Å; I100-F113 HydrophobicContact CD1-CE1 4.11Å; I100-F113 HydrophobicContact CD1-CZ 4.43Å; I103-F113 HydrophobicContact CD1-CE1 3.69Å; I103-F113 HydrophobicContact CD1-CZ 3.83Å; V107-F113 HydrophobicContact CG1-CZ 4.33Å; V107-F113 HydrophobicContact CG2-CZ 4.3Å; F113-I136 HydrophobicContact CB-CG2 3.79Å; F113-I136 HydrophobicContact CD1-CG2 4.04Å; F113-I136 HydrophobicContact CD2-CG2 3.52Å; F113-I136 HydrophobicContact CE2-CG2 4.08Å; F113-I136 HydrophobicContact CG-CG2 3.5Å; F113-I136 VanDerWaalsContact CG-CG2 3.5Å; F113-T140 HydrophobicContact CE2-CG2 3.87Å; F113-T140 WeakPolarHBondContact CE2-OG1 3.3Å; F113-T140 HydrophobicContact CZ-CG2 3.87Å; F113-K142 HydrophobicContact CD2-CB 4.1Å; F113-K142 HydrophobicContact CE2-CB 4.01Å; F113-K142 HydrophobicContact CE2-CD 3.94Å; F113-S143 PolarHBondContact N-O 2.85Å; F113-C144 HydrophobicContact CB-CB 4.2Å; F113-C144 CarbonylContact O-C 3.53Å; F113-C144 VanDerWaalsContact O-CA 3.3Å; F113-C144 WeakPolarHBondContact O-CA 3.46Å; F113-V145 PolarHBondContact O-N 3.31Å |
| 114 | V | 98.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 109.2 | 169.3 | -171.8 | 0 | 0 | 0 | 0 | 107.7 | I86 I87 V88 V89 Y112 F116 V145 V147 V177 | I86-V114 HydrophobicContact CG2-CG2 3.7Å; I87-V114 PolarHBondContact O-N 3.36Å; V88-V114 CarbonylContact C-O 3.47Å; V88-V114 WeakPolarHBondContact CA-O 3.11Å; V88-V114 HydrophobicContact CG2-CB 4.23Å; V88-V114 HydrophobicContact CG2-CG2 4.49Å; V89-V114 PolarHBondContact N-O 3.16Å; Y112-V114 HydrophobicContact CD2-CG2 4.45Å; Y112-V114 HydrophobicContact CE2-CG2 3.97Å; V114-F116 HydrophobicContact CG1-CD2 4.34Å; V114-F116 HydrophobicContact CG1-CE2 3.87Å; V114-V145 CarbonylContact C-O 3.45Å; V114-V145 WeakPolarHBondContact CA-O 3.4Å; V114-V147 HydrophobicContact CG1-CG2 3.77Å; V114-V177 HydrophobicContact CG1-CG1 4Å; V114-V177 HydrophobicContact CG1-CG2 4.34Å; V114-V177 HydrophobicContact CG2-CG2 3.49Å; V114-V177 VanDerWaalsContact CG2-CG2 3.49Å |
| 115 | S | 97.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.6 | 179 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | C117 V145 V146 V147 | S115-C117 WeakPolarHBondContact OG-CB 3.45Å; S115-C117 PolarHBondContact OG-N 2.97Å; S115-C117 PolarHBondContact OG-SG 3.04Å; S115-V145 PolarHBondContact N-O 2.88Å; S115-V146 WeakPolarHBondContact O-CA 3.42Å; S115-V147 PolarHBondContact O-N 3.12Å |
| 116 | F | 94.7 | Very high | 84.9 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | trans | -103.8 | 14.1 | 163.8 | -71.5 | -94.4 | 0 | 0 | 0 | 111.7 | W12 I16 V88 V89 A90 V114 K118 V147 L181 | W12-F116 AromaticContact CE2-CD1 3.96Å; W12-F116 AromaticContact CZ2-CD1 3.67Å; W12-F116 HydrophobicContact CZ2-CD1 3.67Å; W12-F116 AromaticContact CZ2-CE1 4Å; W12-F116 HydrophobicContact CZ2-CE1 4Å; W12-F116 VanDerWaalsContact NE1-CB 3.34Å; W12-F116 AromaticContact NE1-CD1 3.61Å; W12-F116 AromaticContact NE1-CG 3.66Å; I16-F116 HydrophobicContact CD1-CD1 4.43Å; I16-F116 HydrophobicContact CD1-CE1 3.76Å; I16-F116 HydrophobicContact CD1-CZ 3.88Å; I16-F116 HydrophobicContact CG1-CE1 4.25Å; I16-F116 HydrophobicContact CG1-CZ 4.25Å; I16-F116 HydrophobicContact CG2-CE2 4.03Å; I16-F116 HydrophobicContact CG2-CZ 4.13Å; V88-F116 HydrophobicContact CG1-CD2 3.61Å; V88-F116 HydrophobicContact CG1-CE2 3.53Å; V89-F116 PolarHBondContact O-N 3.03Å; A90-F116 HydrophobicContact CB-CB 4.46Å; V114-F116 HydrophobicContact CG1-CD2 4.34Å; V114-F116 HydrophobicContact CG1-CE2 3.87Å; F116-K118 PolarHBondContact O-N 3.36Å; F116-K118 VanDerWaalsContact O-N 3.15Å; F116-V147 HydrophobicContact CD1-CB 3.81Å; F116-V147 HydrophobicContact CD1-CG1 4.02Å; F116-V147 HydrophobicContact CE1-CB 3.59Å; F116-V147 HydrophobicContact CE1-CG1 3.48Å; F116-V147 VanDerWaalsContact CE1-CG1 3.48Å; F116-V147 HydrophobicContact CE1-CG2 4.32Å; F116-V147 HydrophobicContact CG-CB 4.42Å; F116-V147 HydrophobicContact CZ-CB 4Å; F116-V147 HydrophobicContact CZ-CG1 4.1Å; F116-V147 HydrophobicContact CZ-CG2 4.24Å; F116-L181 HydrophobicContact CE2-CD1 4.37Å; F116-L181 HydrophobicContact CZ-CD1 3.63Å; F116-L181 HydrophobicContact CZ-CD2 4.19Å | ||
| 117 | C | 87.1 | Confident | 83.5 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | trans | -68.9 | 115.4 | -178.4 | -57.9 | 0 | 0 | 0 | 0 | 109 | Y91 S115 G119 V132 | Y91-C117 PolarHBondContact O-SG 3.34Å; S115-C117 WeakPolarHBondContact OG-CB 3.45Å; S115-C117 PolarHBondContact OG-N 2.97Å; S115-C117 PolarHBondContact OG-SG 3.04Å; C117-G119 PolarHBondContact O-N 3.19Å; C117-V132 HydrophobicContact CB-CB 4.3Å; C117-V132 HydrophobicContact CB-CG1 4Å; C117-V132 HydrophobicContact CB-CG2 4.06Å | ||
| 118 | K | 78.1 | Confident | 82.3 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | trans | -73.1 | 121.7 | 167 | -61.2 | -177 | -176.7 | 177.3 | 0 | 107.4 | F116 E261 D279 D281 | F116-K118 PolarHBondContact O-N 3.36Å; F116-K118 VanDerWaalsContact O-N 3.15Å; K118-E261 IonicContact NZ-OE1 2.58Å; K118-D279 IonicContact NZ-OD2 2.82Å; K118-D281 WeakPolarHBondContact CD-OD2 3.45Å | ||
| 119 | G | 69.8 | Low | 81.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 120.3 | -165.7 | 168 | 0 | 0 | 0 | 0 | 0 | 117.8 | C117 Y317 | C117-G119 PolarHBondContact O-N 3.19Å; G119-Y317 WeakPolarHBondContact CA-OH 3.36Å |
| 120 | L | 77.1 | Confident | 81.1 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.7 | -168.3 | -66 | 166.1 | 0 | 0 | 0 | 109.5 | V129 L131 L199 Y317 | L120-V129 HydrophobicContact CB-CG1 3.62Å; L120-V129 HydrophobicContact CD1-CG1 3.46Å; L120-V129 VanDerWaalsContact CD1-CG1 3.46Å; L120-V129 HydrophobicContact CD2-CG1 3.34Å; L120-V129 HydrophobicContact CG-CG1 3.6Å; L120-L131 HydrophobicContact CD2-CD2 3.77Å; L120-L199 HydrophobicContact CD1-CD2 3.95Å; L120-L199 HydrophobicContact CD2-CD2 3.34Å; L120-L199 HydrophobicContact CD2-CG 4.46Å; L120-L199 HydrophobicContact CG-CD2 4.13Å; L120-Y317 HydrophobicContact CB-CE1 4.05Å; L120-Y317 HydrophobicContact CD1-CD1 4.26Å; L120-Y317 HydrophobicContact CD1-CE1 3.92Å; L120-Y317 HydrophobicContact CG-CE1 4.08Å; L120-Y317 PolarHBondContact N-OH 2.95Å |
| 121 | V | 73.3 | Confident | 80.9 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.8 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | Y123 K130 V132 M135 | V121-Y123 HydrophobicContact CB-CE2 4.36Å; V121-Y123 HydrophobicContact CG1-CD2 4.29Å; V121-Y123 HydrophobicContact CG1-CE2 3.72Å; V121-K130 PolarHBondContact N-O 3.26Å; V121-K130 PolarHBondContact O-N 3.38Å; V121-V132 HydrophobicContact CG2-CB 4.35Å; V121-V132 HydrophobicContact CG2-CG2 3.64Å; V121-M135 HydrophobicContact CG1-SD 4.12Å; V121-M135 HydrophobicContact CG2-CE 4.02Å; V121-M135 HydrophobicContact CG2-SD 4.07Å |
| 122 | L | 67.9 | Low | 80.6 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 28% | 0.277 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.2 | -178.4 | -50.1 | -175 | 0 | 0 | 0 | 109.9 | E316 L320 | L122-E316 HydrophobicContact CD1-CG 3.83Å; L122-E316 VanDerWaalsContact CD1-OE1 3.26Å; L122-E316 WeakPolarHBondContact CD1-OE1 3.45Å; L122-L320 HydrophobicContact CD2-CB 4.46Å; L122-L320 HydrophobicContact CD2-CD1 3.91Å; L122-L320 HydrophobicContact CD2-CD2 3.12Å; L122-L320 HydrophobicContact CD2-CG 3.96Å |
| 123 | Y | 68.2 | Low | 80.4 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 21% | 0.212 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 92 | 164 | -69.9 | -88.4 | 0 | 0 | 0 | 107.6 | V121 E125 E126 N127 K130 | V121-Y123 HydrophobicContact CB-CE2 4.36Å; V121-Y123 HydrophobicContact CG1-CD2 4.29Å; V121-Y123 HydrophobicContact CG1-CE2 3.72Å; Y123-E125 PolarHBondContact O-N 3.17Å; Y123-E126 PolarHBondContact O-N 3.41Å; Y123-E126 VanDerWaalsContact O-N 3.08Å; Y123-N127 PolarHBondContact O-N 2.84Å; Y123-K130 HydrophobicContact CD2-CB 4.09Å; Y123-K130 HydrophobicContact CD2-CD 4.34Å; Y123-K130 HydrophobicContact CE2-CB 3.98Å; Y123-K130 HydrophobicContact CE2-CD 3.68Å |
| 124 | S | 59.7 | Low | 80.2 | Confident | 94 Ų | 94 | 42 Ų | 42 | 66% | 0.657 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -33.2 | -175.6 | 53.2 | 0 | 0 | 0 | 0 | 113 | N127 | S124-N127 PolarHBondContact O-OD1 3.37Š|
| 125 | E | 65.6 | Low | 79.9 | Confident | 189 Ų | 189 | 42 Ų | 42 | 88% | 0.883 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -30.7 | 178.9 | -61.5 | -176.2 | 176.8 | 0 | 0 | 112.8 | Y123 | Y123-E125 PolarHBondContact O-N 3.17Š|
| 126 | E | 67 | Low | 79.8 | Confident | 110 Ų | 110 | 42 Ų | 42 | 51% | 0.514 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -8.8 | -174.6 | -64.8 | -172.1 | -166.4 | 0 | 0 | 113.6 | Y123 R128 | Y123-E126 PolarHBondContact O-N 3.41Å; Y123-E126 VanDerWaalsContact O-N 3.08Å; E126-R128 HydrophobicContact CB-CB 4.06Å; E126-R128 HydrophobicContact CB-CG 4.15Å; E126-R128 WeakPolarHBondContact O-CG 3.21Å; E126-R128 PolarHBondContact O-N 2.95Å; E126-R128 VanDerWaalsContact O-N 3.17Å; E126-R128 IonicContact OE2-NH1 3.89Å |
| 127 | N | 67.2 | Low | 79.8 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 31.3 | -168.1 | -63.7 | -22.5 | 0 | 0 | 0 | 113 | Y123 S124 K323 | Y123-N127 PolarHBondContact O-N 2.84Å; S124-N127 PolarHBondContact O-OD1 3.37Å; N127-K323 WeakPolarHBondContact OD1-CE 3.21Å; N127-K323 PolarHBondContact OD1-NZ 3.2Å |
| 128 | R | 72.8 | Confident | 80.1 | Confident | 160 Ų | 160 | 49 Ų | 49 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.8 | -177.3 | -72.9 | 177.1 | 71.1 | -169.6 | 4.7 | 110.7 | E126 | E126-R128 HydrophobicContact CB-CB 4.06Å; E126-R128 HydrophobicContact CB-CG 4.15Å; E126-R128 WeakPolarHBondContact O-CG 3.21Å; E126-R128 PolarHBondContact O-N 2.95Å; E126-R128 VanDerWaalsContact O-N 3.17Å; E126-R128 IonicContact OE2-NH1 3.89Å |
| 129 | V | 79.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 137.6 | 163.2 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | L120 L242 L320 I324 | L120-V129 HydrophobicContact CB-CG1 3.62Å; L120-V129 HydrophobicContact CD1-CG1 3.46Å; L120-V129 VanDerWaalsContact CD1-CG1 3.46Å; L120-V129 HydrophobicContact CD2-CG1 3.34Å; L120-V129 HydrophobicContact CG-CG1 3.6Å; V129-L242 HydrophobicContact CG2-CD2 4.34Å; V129-L320 HydrophobicContact CG2-CD2 3.57Å; V129-L320 HydrophobicContact CG2-CG 4.21Å; V129-I324 HydrophobicContact CG2-CD1 3.19Å |
| 130 | K | 87.1 | Confident | 82 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.5 | 167 | -162 | 177.2 | -171 | 164 | 0 | 110.3 | V121 Y123 D134 M135 E138 | V121-K130 PolarHBondContact N-O 3.26Å; V121-K130 PolarHBondContact O-N 3.38Å; Y123-K130 HydrophobicContact CD2-CB 4.09Å; Y123-K130 HydrophobicContact CD2-CD 4.34Å; Y123-K130 HydrophobicContact CE2-CB 3.98Å; Y123-K130 HydrophobicContact CE2-CD 3.68Å; K130-D134 HydrophobicContact CG-CB 4.29Å; K130-M135 HydrophobicContact CD-CB 4.34Å; K130-E138 VanDerWaalsContact CE-CD 3.41Å; K130-E138 WeakPolarHBondContact CE-OE1 3.48Å; K130-E138 WeakPolarHBondContact CE-OE2 3.45Å; K130-E138 IonicContact NZ-OE1 2.81Å; K130-E138 PolarHBondContact NZ-OE1 2.85Å; K130-E138 IonicContact NZ-OE2 3.17Å; K130-E138 PolarHBondContact NZ-OE2 2.87Å |
| 131 | L | 91.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140.1 | 169.8 | -57.4 | 177.4 | 0 | 0 | 0 | 109.2 | L120 S133 D134 M135 V195 E198 L199 F243 | L120-L131 HydrophobicContact CD2-CD2 3.77Å; L131-S133 PolarHBondContact O-N 3.24Å; L131-D134 HydrophobicContact CB-CB 4.04Å; L131-D134 PolarHBondContact O-N 3.46Å; L131-M135 PolarHBondContact O-N 3.19Å; L131-V195 HydrophobicContact CD1-CB 4.1Å; L131-V195 HydrophobicContact CD1-CG1 4.02Å; L131-V195 HydrophobicContact CD1-CG2 3.64Å; L131-E198 HydrophobicContact CD2-CB 4.25Å; L131-E198 HydrophobicContact CD2-CG 4.22Å; L131-L199 HydrophobicContact CD2-CD2 4.01Å; L131-L199 HydrophobicContact CD2-CG 3.96Å; L131-F243 HydrophobicContact CD1-CE1 4.22Å; L131-F243 HydrophobicContact CD1-CZ 4.28Å; L131-F243 HydrophobicContact CD2-CE2 4.22Å; L131-F243 HydrophobicContact CD2-CZ 3.94Å; L131-F243 HydrophobicContact CG-CE1 4.12Å; L131-F243 HydrophobicContact CG-CZ 3.81Å |
| 132 | V | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56 | -42 | 167.8 | -179 | 0 | 0 | 0 | 0 | 109.4 | V96 C117 V121 D134 M135 I136 E198 | V96-V132 HydrophobicContact CB-CG1 4.17Å; V96-V132 HydrophobicContact CG1-CG1 3.84Å; V96-V132 HydrophobicContact CG2-CG1 4.06Å; C117-V132 HydrophobicContact CB-CB 4.3Å; C117-V132 HydrophobicContact CB-CG1 4Å; C117-V132 HydrophobicContact CB-CG2 4.06Å; V121-V132 HydrophobicContact CG2-CB 4.35Å; V121-V132 HydrophobicContact CG2-CG2 3.64Å; V132-D134 PolarHBondContact O-N 2.83Å; V132-M135 HydrophobicContact CG1-CE 4.39Å; V132-M135 WeakPolarHBondContact O-CB 3.34Å; V132-M135 PolarHBondContact O-N 2.78Å; V132-I136 HydrophobicContact CG1-CD1 4.01Å; V132-I136 HydrophobicContact CG1-CG1 4.43Å; V132-I136 WeakPolarHBondContact O-CG1 3.3Å; V132-I136 PolarHBondContact O-N 3.22Å; V132-E198 VanDerWaalsContact CA-OE1 3.29Å; V132-E198 WeakPolarHBondContact CA-OE1 3.37Å; V132-E198 VanDerWaalsContact CB-OE1 3.23Å; V132-E198 WeakPolarHBondContact CB-OE1 3.33Å; V132-E198 PolarHBondContact N-OE1 3.19Å |
| 133 | S | 94.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 178.1 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | L131 I136 R137 E198 | L131-S133 PolarHBondContact O-N 3.24Å; S133-I136 PolarHBondContact O-N 3.01Å; S133-R137 VanDerWaalsContact O-CG 3.25Å; S133-R137 WeakPolarHBondContact O-CG 3.1Å; S133-R137 PolarHBondContact O-N 3.3Å; S133-R137 PolarHBondContact OG-NH1 2.8Å; S133-E198 WeakPolarHBondContact CB-OE2 3.41Å; S133-E198 PolarHBondContact N-OE1 3.13Å; S133-E198 VanDerWaalsContact N-OE1 3.07Å; S133-E198 PolarHBondContact N-OE2 3Å; S133-E198 PolarHBondContact OG-OE2 2.79Å |
| 134 | D | 93.6 | Very high | 86.9 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 174.4 | -76.2 | -11.3 | 0 | 0 | 0 | 111.2 | K130 L131 V132 I136 R137 E138 R246 | K130-D134 HydrophobicContact CG-CB 4.29Å; L131-D134 HydrophobicContact CB-CB 4.04Å; L131-D134 PolarHBondContact O-N 3.46Å; V132-D134 PolarHBondContact O-N 2.83Å; D134-I136 VanDerWaalsContact C-N 3.33Å; D134-I136 PolarHBondContact O-N 3.04Å; D134-R137 PolarHBondContact O-N 3.08Å; D134-R137 IonicContact OD1-CZ 3.48Å; D134-R137 IonicContact OD1-NH1 3.49Å; D134-R137 PolarHBondContact OD1-NH1 3.13Å; D134-E138 WeakPolarHBondContact O-CB 3.19Å; D134-E138 WeakPolarHBondContact O-CG 3.43Å; D134-E138 PolarHBondContact O-N 3.37Å; D134-R246 IonicContact OD1-CZ 3.33Å; D134-R246 IonicContact OD1-NH1 3.24Å; D134-R246 IonicContact OD1-NH2 2.84Å; D134-R246 PolarHBondContact OD1-NH2 2.86Å; D134-R246 IonicContact OD2-CZ 2.65Å; D134-R246 IonicContact OD2-NH1 3.13Å; D134-R246 PolarHBondContact OD2-NH1 3.03Å; D134-R246 IonicContact OD2-NH2 3.61Å; D134-R246 PolarHBondContact OD2-NH2 3.1Å |
| 135 | M | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 174.4 | -178 | -176.1 | 67.3 | 0 | 0 | 112.1 | V96 Q97 V121 K130 L131 V132 Q139 | V96-M135 HydrophobicContact CB-CE 3.63Å; V96-M135 HydrophobicContact CG1-CE 3.47Å; V96-M135 VanDerWaalsContact CG1-CE 3.47Å; Q97-M135 HydrophobicContact CB-CE 4.27Å; Q97-M135 HydrophobicContact CB-SD 3.81Å; Q97-M135 HydrophobicContact CG-SD 4.2Å; V121-M135 HydrophobicContact CG1-SD 4.12Å; V121-M135 HydrophobicContact CG2-CE 4.02Å; V121-M135 HydrophobicContact CG2-SD 4.07Å; K130-M135 HydrophobicContact CD-CB 4.34Å; L131-M135 PolarHBondContact O-N 3.19Å; V132-M135 HydrophobicContact CG1-CE 4.39Å; V132-M135 WeakPolarHBondContact O-CB 3.34Å; V132-M135 PolarHBondContact O-N 2.78Å; M135-Q139 WeakPolarHBondContact O-CB 3.23Å; M135-Q139 WeakPolarHBondContact O-CG 3.41Å; M135-Q139 PolarHBondContact O-N 3.29Å; M135-Q139 VanDerWaalsContact O-N 3.09Å |
| 136 | I | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -53.5 | 175.4 | -68.6 | 169.8 | 0 | 0 | 0 | 109.4 | V89 V96 I100 F113 V132 S133 D134 E138 Q139 T140 C144 | V89-I136 HydrophobicContact CG2-CD1 4.26Å; V96-I136 HydrophobicContact CG1-CD1 4.23Å; V96-I136 HydrophobicContact CG1-CG1 4.1Å; I100-I136 HydrophobicContact CD1-CG1 4.14Å; I100-I136 HydrophobicContact CG1-CG1 4.35Å; F113-I136 HydrophobicContact CB-CG2 3.79Å; F113-I136 HydrophobicContact CD1-CG2 4.04Å; F113-I136 HydrophobicContact CD2-CG2 3.52Å; F113-I136 HydrophobicContact CE2-CG2 4.08Å; F113-I136 HydrophobicContact CG-CG2 3.5Å; F113-I136 VanDerWaalsContact CG-CG2 3.5Å; V132-I136 HydrophobicContact CG1-CD1 4.01Å; V132-I136 HydrophobicContact CG1-CG1 4.43Å; V132-I136 WeakPolarHBondContact O-CG1 3.3Å; V132-I136 PolarHBondContact O-N 3.22Å; S133-I136 PolarHBondContact O-N 3.01Å; D134-I136 VanDerWaalsContact C-N 3.33Å; D134-I136 PolarHBondContact O-N 3.04Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 2.99Å; I136-Q139 PolarHBondContact O-N 2.78Å; I136-T140 WeakPolarHBondContact O-CG2 3.34Å; I136-T140 PolarHBondContact O-N 3.01Å; I136-T140 PolarHBondContact O-OG1 2.94Å; I136-C144 HydrophobicContact CB-CB 4.46Å; I136-C144 HydrophobicContact CG2-CB 4.18Å |
| 137 | R | 94.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 15% | 0.151 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.8 | -46.6 | -178.9 | -72 | 168.2 | -167.8 | 127.8 | 3.2 | 112.7 | S133 D134 G141 K142 C144 D194 | S133-R137 VanDerWaalsContact O-CG 3.25Å; S133-R137 WeakPolarHBondContact O-CG 3.1Å; S133-R137 PolarHBondContact O-N 3.3Å; S133-R137 PolarHBondContact OG-NH1 2.8Å; D134-R137 PolarHBondContact O-N 3.08Å; D134-R137 IonicContact OD1-CZ 3.48Å; D134-R137 IonicContact OD1-NH1 3.49Å; D134-R137 PolarHBondContact OD1-NH1 3.13Å; R137-G141 WeakPolarHBondContact O-CA 3.26Å; R137-G141 PolarHBondContact O-N 2.98Å; R137-K142 WeakPolarHBondContact CA-O 3.44Å; R137-K142 WeakPolarHBondContact CG-O 3.48Å; R137-C144 HydrophobicContact CG-CB 4.07Å; R137-C144 PolarHBondContact NH2-O 3.32Å; R137-D194 IonicContact CZ-OD2 3.7Å; R137-D194 VanDerWaalsContact CZ-OD2 3.25Å; R137-D194 IonicContact NH1-OD2 2.83Å; R137-D194 PolarHBondContact NH1-OD2 3.1Å; R137-D194 VanDerWaalsContact NH1-OD2 3.08Å; R137-D194 IonicContact NH2-OD2 2.73Å; R137-D194 PolarHBondContact NH2-OD2 3.29Å |
| 138 | E | 93.4 | Very high | 93 | Very high | 129 Ų | 129 | 31.3 Ų | 31.3 | 60% | 0.603 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -70.4 | -38.2 | -176.9 | -71.7 | 177.1 | -138 | 0 | 0 | 112.9 | K130 D134 I136 | K130-E138 VanDerWaalsContact CE-CD 3.41Å; K130-E138 WeakPolarHBondContact CE-OE1 3.48Å; K130-E138 WeakPolarHBondContact CE-OE2 3.45Å; K130-E138 IonicContact NZ-OE1 2.81Å; K130-E138 PolarHBondContact NZ-OE1 2.85Å; K130-E138 IonicContact NZ-OE2 3.17Å; K130-E138 PolarHBondContact NZ-OE2 2.87Å; D134-E138 WeakPolarHBondContact O-CB 3.19Å; D134-E138 WeakPolarHBondContact O-CG 3.43Å; D134-E138 PolarHBondContact O-N 3.37Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 2.99Å |
| 139 | Q | 93.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 23.7 Ų | 23.7 | 30% | 0.304 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -81.7 | -24.9 | -177.5 | -70.3 | -178 | 17.8 | 0 | 0 | 113.3 | I100 M135 I136 | I100-Q139 HydrophobicContact CG2-CB 3.67Å; M135-Q139 WeakPolarHBondContact O-CB 3.23Å; M135-Q139 WeakPolarHBondContact O-CG 3.41Å; M135-Q139 PolarHBondContact O-N 3.29Å; M135-Q139 VanDerWaalsContact O-N 3.09Å; I136-Q139 PolarHBondContact O-N 2.78Å |
| 140 | T | 95.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 15% | 0.147 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -110.4 | -13.5 | -177.5 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | I100 F113 I136 K142 | I100-T140 HydrophobicContact CD1-CG2 4.09Å; I100-T140 HydrophobicContact CG2-CG2 3.66Å; F113-T140 HydrophobicContact CE2-CG2 3.87Å; F113-T140 WeakPolarHBondContact CE2-OG1 3.3Å; F113-T140 HydrophobicContact CZ-CG2 3.87Å; I136-T140 WeakPolarHBondContact O-CG2 3.34Å; I136-T140 PolarHBondContact O-N 3.01Å; I136-T140 PolarHBondContact O-OG1 2.94Å; T140-K142 WeakPolarHBondContact O-CG 3.32Å; T140-K142 PolarHBondContact O-N 3.4Å; T140-K142 PolarHBondContact O-NZ 2.9Å; T140-K142 VanDerWaalsContact O-NZ 3.14Å; T140-K142 WeakPolarHBondContact OG1-CB 3.49Å; T140-K142 PolarHBondContact OG1-N 3.19Å |
| 141 | G | 95.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 22.1 Ų | 22.1 | 74% | 0.742 | 13% | 0.131 | S | C | * | . | S | Bend | trans | 65.4 | 19.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R137 | R137-G141 WeakPolarHBondContact O-CA 3.26Å; R137-G141 PolarHBondContact O-N 2.98Å |
| 142 | K | 96.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 22.8 Ų | 22.8 | 19% | 0.187 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -120.2 | 154 | -170.2 | -68.8 | 166.5 | 177.4 | 69.4 | 0 | 112 | V107 K108 A111 F113 R137 T140 | V107-K142 HydrophobicContact CG1-CD 3.72Å; K108-K142 WeakPolarHBondContact O-CE 3.15Å; A111-K142 WeakPolarHBondContact O-CD 3.43Å; A111-K142 WeakPolarHBondContact O-CG 3.44Å; F113-K142 HydrophobicContact CD2-CB 4.1Å; F113-K142 HydrophobicContact CE2-CB 4.01Å; F113-K142 HydrophobicContact CE2-CD 3.94Å; R137-K142 WeakPolarHBondContact CA-O 3.44Å; R137-K142 WeakPolarHBondContact CG-O 3.48Å; T140-K142 WeakPolarHBondContact O-CG 3.32Å; T140-K142 PolarHBondContact O-N 3.4Å; T140-K142 PolarHBondContact O-NZ 2.9Å; T140-K142 VanDerWaalsContact O-NZ 3.14Å; T140-K142 WeakPolarHBondContact OG1-CB 3.49Å; T140-K142 PolarHBondContact OG1-N 3.19Å |
| 143 | S | 97.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 23.1 Ų | 23.1 | 24% | 0.238 | 14% | 0.138 | C | C | . | . | trans | -59.9 | 148.8 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | Y112 F113 H173 | Y112-S143 WeakPolarHBondContact CB-O 3.32Å; F113-S143 PolarHBondContact N-O 2.85Å; S143-H173 VanDerWaalsContact CB-ND1 3.34Å; S143-H173 WeakPolarHBondContact CB-ND1 3.3Å; S143-H173 PolarHBondContact OG-ND1 2.95Å | ||
| 144 | C | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127.5 | 171.7 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | F113 I136 R137 | F113-C144 HydrophobicContact CB-CB 4.2Å; F113-C144 CarbonylContact O-C 3.53Å; F113-C144 VanDerWaalsContact O-CA 3.3Å; F113-C144 WeakPolarHBondContact O-CA 3.46Å; I136-C144 HydrophobicContact CB-CB 4.46Å; I136-C144 HydrophobicContact CG2-CB 4.18Å; R137-C144 HydrophobicContact CG-CB 4.07Å; R137-C144 PolarHBondContact NH2-O 3.32Å |
| 145 | V | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 145.9 | 168 | 175.2 | 0 | 0 | 0 | 0 | 107.8 | Y112 F113 V114 S115 V147 I166 A168 H173 V177 | Y112-V145 HydrophobicContact CE2-CG2 4.45Å; F113-V145 PolarHBondContact O-N 3.31Å; V114-V145 CarbonylContact C-O 3.45Å; V114-V145 WeakPolarHBondContact CA-O 3.4Å; S115-V145 PolarHBondContact N-O 2.88Å; V145-V147 HydrophobicContact CG1-CG2 4.48Å; V145-I166 HydrophobicContact CG1-CG2 3.43Å; V145-I166 VanDerWaalsContact CG1-CG2 3.43Å; V145-A168 HydrophobicContact CG1-CB 4.07Å; V145-A168 HydrophobicContact CG2-CB 4.04Å; V145-H173 HydrophobicContact CG2-CB 3.71Å; V145-V177 HydrophobicContact CB-CG2 4.22Å; V145-V177 HydrophobicContact CG1-CB 4.38Å; V145-V177 HydrophobicContact CG1-CG1 4.3Å; V145-V177 HydrophobicContact CG1-CG2 4.15Å; V145-V177 HydrophobicContact CG2-CG2 4.21Å |
| 146 | V | 97.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.3 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 109 | S115 I166 G167 V197 E198 | S115-V146 WeakPolarHBondContact O-CA 3.42Å; V146-I166 CarbonylContact O-C 3.55Å; V146-I166 WeakPolarHBondContact O-CA 3.28Å; V146-G167 PolarHBondContact N-O 3.29Å; V146-G167 PolarHBondContact O-N 3.13Å; V146-V197 HydrophobicContact CB-CG1 4.47Å; V146-V197 HydrophobicContact CG1-CG1 4.07Å; V146-E198 HydrophobicContact CG1-CB 3.99Å; V146-E198 HydrophobicContact CG1-CG 4.25Å; V146-E198 HydrophobicContact CG2-CB 4.49Å; V146-E198 WeakPolarHBondContact CG2-OE2 3.36Å |
| 147 | V | 97.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.3 | 174.2 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | V114 S115 F116 V145 V164 T165 I166 V177 L181 M188 | V114-V147 HydrophobicContact CG1-CG2 3.77Å; S115-V147 PolarHBondContact O-N 3.12Å; F116-V147 HydrophobicContact CD1-CB 3.81Å; F116-V147 HydrophobicContact CD1-CG1 4.02Å; F116-V147 HydrophobicContact CE1-CB 3.59Å; F116-V147 HydrophobicContact CE1-CG1 3.48Å; F116-V147 VanDerWaalsContact CE1-CG1 3.48Å; F116-V147 HydrophobicContact CE1-CG2 4.32Å; F116-V147 HydrophobicContact CG-CB 4.42Å; F116-V147 HydrophobicContact CZ-CB 4Å; F116-V147 HydrophobicContact CZ-CG1 4.1Å; F116-V147 HydrophobicContact CZ-CG2 4.24Å; V145-V147 HydrophobicContact CG1-CG2 4.48Å; V147-V164 HydrophobicContact CG1-CB 4.14Å; V147-V164 HydrophobicContact CG1-CG2 3.92Å; V147-T165 WeakPolarHBondContact CA-O 3.36Å; V147-I166 HydrophobicContact CG2-CG1 4.24Å; V147-V177 HydrophobicContact CG2-CG1 3.99Å; V147-L181 HydrophobicContact CG2-CD1 4.47Å; V147-M188 HydrophobicContact CG1-CE 3.73Å; V147-M188 HydrophobicContact CG2-CE 4.45Å |
| 148 | S | 94.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 31 Ų | 31 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154 | 178 | -153.9 | 0 | 0 | 0 | 0 | 111.1 | T165 E261 | S148-T165 PolarHBondContact N-O 3.09Å; S148-T165 PolarHBondContact O-N 3.4Å; S148-E261 WeakPolarHBondContact CB-OE2 3.46Å; S148-E261 PolarHBondContact OG-OE2 3.47Å |
| 149 | G | 92.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | 175 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T151 S256 E261 | G149-T151 VanDerWaalsContact C-N 3.31Å; G149-T151 PolarHBondContact O-N 3.09Å; G149-S256 WeakPolarHBondContact CA-OG 3.49Å; G149-E261 PolarHBondContact N-OE2 3.21Å; G149-E261 VanDerWaalsContact N-OE2 3.12Å; G149-E261 WeakPolarHBondContact O-CG 2.95Å |
| 150 | A | 88.9 | Confident | 94.6 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 13% | 0.132 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -75.3 | 84.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S256 A260 E261 I264 | A150-S256 PolarHBondContact N-OG 3.49Å; A150-A260 HydrophobicContact CB-CB 3.51Å; A150-E261 HydrophobicContact CB-CG 4.29Å; A150-I264 HydrophobicContact CB-CD1 3.5Å; A150-I264 VanDerWaalsContact CB-CD1 3.5Å; A150-I264 HydrophobicContact CB-CG1 4.11Å |
| 151 | T | 85.4 | Confident | 94.6 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | trans | -125 | 132.5 | -169.9 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | W12 G149 I156 T162 V164 | W12-T151 HydrophobicContact CH2-CG2 3.65Å; W12-T151 WeakPolarHBondContact CH2-OG1 3.46Å; W12-T151 HydrophobicContact CZ2-CG2 4.39Å; W12-T151 VanDerWaalsContact CZ3-CB 3.48Å; W12-T151 HydrophobicContact CZ3-CG2 4.33Å; W12-T151 WeakPolarHBondContact CZ3-OG1 3.41Å; G149-T151 VanDerWaalsContact C-N 3.31Å; G149-T151 PolarHBondContact O-N 3.09Å; T151-I156 HydrophobicContact CG2-CD1 3.84Å; T151-T162 HydrophobicContact CG2-CG2 3.8Å; T151-V164 HydrophobicContact CG2-CG1 3.44Å; T151-V164 VanDerWaalsContact CG2-CG1 3.44Å | ||
| 152 | T | 90.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 9% | 0.092 | 17% | 0.169 | C | C | . | . | trans | -108.5 | 146 | 160.3 | 75.1 | 0 | 0 | 0 | 0 | 108.9 | I154 E155 I156 D279 | T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.43Å; T152-E155 VanDerWaalsContact CG2-OE2 3.3Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.44Å; T152-E155 WeakPolarHBondContact OG1-CB 3.43Å; T152-E155 WeakPolarHBondContact OG1-CG 3.23Å; T152-E155 PolarHBondContact OG1-N 2.84Å; T152-E155 VanDerWaalsContact OG1-N 3.12Å; T152-E155 PolarHBondContact OG1-OE2 3Å; T152-I156 PolarHBondContact O-N 3.33Å; T152-D279 HydrophobicContact CG2-CB 4.13Å | ||
| 153 | A | 92.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -38.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A11 W12 A15 L62 A157 G277 | A11-A153 HydrophobicContact CB-CB 3.8Å; W12-A153 HydrophobicContact CE3-CB 4.1Å; A15-A153 HydrophobicContact CB-CB 4.01Å; A15-A153 VanDerWaalsContact CB-O 3.31Å; A15-A153 WeakPolarHBondContact CB-O 3.43Å; L62-A153 HydrophobicContact CD1-CB 4.32Å; A153-A157 VanDerWaalsContact O-CB 3.23Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 3.1Å; A153-G277 WeakPolarHBondContact CB-O 3.39Å; A153-G277 PolarHBondContact N-O 3.1Å; A153-G277 VanDerWaalsContact N-O 3.15Å |
| 154 | I | 93.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -53.8 | 177.5 | -68.5 | 165.6 | 0 | 0 | 0 | 110.8 | L62 T152 I156 A157 E158 G277 | L62-I154 HydrophobicContact CD1-CG1 3.67Å; T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.43Å; I154-I156 VanDerWaalsContact C-N 3.32Å; I154-I156 PolarHBondContact O-N 3.16Å; I154-A157 PolarHBondContact O-N 2.93Å; I154-E158 HydrophobicContact CG2-CG 4.18Å; I154-E158 WeakPolarHBondContact O-CB 3.48Å; I154-E158 WeakPolarHBondContact O-CG 3.4Å; I154-E158 PolarHBondContact O-N 3.28Å; I154-G277 VanDerWaalsContact CD1-C 3.47Å; I154-G277 PolarHBondContact N-O 3.16Å |
| 155 | E | 94 | Very high | 94.6 | Very high | 85 Ų | 85 | 35.5 Ų | 35.5 | 40% | 0.397 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.1 | -39 | -174.8 | -70 | 166.7 | 162.7 | 0 | 0 | 111.9 | T152 E158 Q159 Q160 | T152-E155 VanDerWaalsContact CG2-OE2 3.3Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.44Å; T152-E155 WeakPolarHBondContact OG1-CB 3.43Å; T152-E155 WeakPolarHBondContact OG1-CG 3.23Å; T152-E155 PolarHBondContact OG1-N 2.84Å; T152-E155 VanDerWaalsContact OG1-N 3.12Å; T152-E155 PolarHBondContact OG1-OE2 3Å; E155-E158 CarbonylContact O-C 3.59Å; E155-E158 PolarHBondContact O-N 3.26Å; E155-Q159 PolarHBondContact O-N 3.32Å; E155-Q159 VanDerWaalsContact O-N 3.1Å; E155-Q160 HydrophobicContact CB-CB 3.94Å; E155-Q160 HydrophobicContact CB-CG 4.03Å; E155-Q160 HydrophobicContact CG-CG 4.33Å; E155-Q160 WeakPolarHBondContact O-CB 3.29Å; E155-Q160 PolarHBondContact O-N 2.92Å |
| 156 | I | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 174.2 | -70.4 | -163.8 | 0 | 0 | 0 | 111.2 | W12 V19 T151 T152 I154 E158 Q159 T162 L186 | W12-I156 HydrophobicContact CH2-CD1 3.36Å; W12-I156 HydrophobicContact CZ3-CD1 3.53Å; W12-I156 HydrophobicContact CZ3-CG1 4.28Å; V19-I156 HydrophobicContact CG2-CG2 3.39Å; T151-I156 HydrophobicContact CG2-CD1 3.84Å; T152-I156 PolarHBondContact O-N 3.33Å; I154-I156 VanDerWaalsContact C-N 3.32Å; I154-I156 PolarHBondContact O-N 3.16Å; I156-E158 VanDerWaalsContact C-N 3.26Å; I156-E158 PolarHBondContact O-N 3.49Å; I156-Q159 PolarHBondContact O-N 3.16Å; I156-T162 HydrophobicContact CD1-CG2 3.89Å; I156-T162 HydrophobicContact CG1-CG2 4.01Å; I156-L186 HydrophobicContact CD1-CD1 4.21Å |
| 157 | A | 95.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -31.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A15 K18 L62 I65 A153 I154 Q159 | A15-A157 HydrophobicContact CB-CB 4.23Å; K18-A157 HydrophobicContact CD-CB 4.33Å; K18-A157 WeakPolarHBondContact CE-O 3.48Å; L62-A157 HydrophobicContact CD2-CB 3.98Å; I65-A157 HydrophobicContact CB-CB 4.37Å; I65-A157 HydrophobicContact CD1-CB 3.61Å; I65-A157 HydrophobicContact CG1-CB 3.61Å; I65-A157 HydrophobicContact CG2-CB 3.9Å; A153-A157 VanDerWaalsContact O-CB 3.23Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 3.1Å; I154-A157 PolarHBondContact O-N 2.93Å; A157-Q159 PolarHBondContact O-N 3.26Å |
| 158 | E | 96.1 | Very high | 94.6 | Very high | 97 Ų | 97 | 35.2 Ų | 35.2 | 45% | 0.453 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 6 | 172 | -67.7 | -178.3 | 163.7 | 0 | 0 | 113.5 | I65 I154 E155 I156 Q160 | I65-E158 HydrophobicContact CD1-CG 3.95Å; I154-E158 HydrophobicContact CG2-CG 4.18Å; I154-E158 WeakPolarHBondContact O-CB 3.48Å; I154-E158 WeakPolarHBondContact O-CG 3.4Å; I154-E158 PolarHBondContact O-N 3.28Å; E155-E158 CarbonylContact O-C 3.59Å; E155-E158 PolarHBondContact O-N 3.26Å; I156-E158 VanDerWaalsContact C-N 3.26Å; I156-E158 PolarHBondContact O-N 3.49Å; E158-Q160 VanDerWaalsContact C-N 3.26Å; E158-Q160 HydrophobicContact CB-CG 4.34Å; E158-Q160 PolarHBondContact O-N 3.01Å; E158-Q160 PolarHBondContact O-NE2 2.78Å |
| 159 | Q | 96.2 | Very high | 94.5 | Very high | 105 Ų | 105 | 39.7 Ų | 39.7 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 31.4 | 175.8 | -50.1 | -175.1 | 21.7 | 0 | 0 | 114 | E155 I156 A157 Y185 | E155-Q159 PolarHBondContact O-N 3.32Å; E155-Q159 VanDerWaalsContact O-N 3.1Å; I156-Q159 PolarHBondContact O-N 3.16Å; A157-Q159 PolarHBondContact O-N 3.26Å; Q159-Y185 HydrophobicContact CB-CD1 3.61Å; Q159-Y185 HydrophobicContact CB-CD2 4.11Å; Q159-Y185 HydrophobicContact CB-CE1 3.81Å; Q159-Y185 HydrophobicContact CB-CE2 4.28Å; Q159-Y185 HydrophobicContact CB-CG 3.77Å; Q159-Y185 HydrophobicContact CG-CD1 3.98Å; Q159-Y185 HydrophobicContact CG-CE1 3.62Å; Q159-Y185 HydrophobicContact CG-CE2 4.25Å; Q159-Y185 HydrophobicContact CG-CG 4.44Å; Q159-Y185 WeakPolarHBondContact O-CB 3.46Å |
| 160 | Q | 96.4 | Very high | 94.7 | Very high | 103 Ų | 103 | 42.5 Ų | 42.5 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | trans | -72.4 | 146.7 | 171.3 | -57.9 | -58.9 | -51.7 | 0 | 0 | 110.4 | E155 E158 T162 | E155-Q160 HydrophobicContact CB-CB 3.94Å; E155-Q160 HydrophobicContact CB-CG 4.03Å; E155-Q160 HydrophobicContact CG-CG 4.33Å; E155-Q160 WeakPolarHBondContact O-CB 3.29Å; E155-Q160 PolarHBondContact O-N 2.92Å; E158-Q160 VanDerWaalsContact C-N 3.26Å; E158-Q160 HydrophobicContact CB-CG 4.34Å; E158-Q160 PolarHBondContact O-N 3.01Å; E158-Q160 PolarHBondContact O-NE2 2.78Å; Q160-T162 PolarHBondContact O-N 3.1Å; Q160-T162 PolarHBondContact O-OG1 3.33Å | ||
| 161 | F | 96.6 | Very high | 95 | Very high | 134 Ų | 134 | 48.1 Ų | 48.1 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | trans | -58.1 | 124.9 | -180 | -180 | -95.7 | 0 | 0 | 0 | 111.2 | E163 Y185 R187 | F161-E163 HydrophobicContact CE1-CG 3.73Å; F161-E163 HydrophobicContact CZ-CG 3.68Å; F161-Y185 CarbonylContact C-O 3.6Å; F161-Y185 WeakPolarHBondContact CA-O 3.4Å; F161-R187 HydrophobicContact CE2-CG 3.78Å; F161-R187 HydrophobicContact CZ-CG 4.41Å | ||
| 162 | T | 96 | Very high | 95.6 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 136.3 | -174 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | T151 I156 Q160 V164 Y185 L186 R187 | T151-T162 HydrophobicContact CG2-CG2 3.8Å; I156-T162 HydrophobicContact CD1-CG2 3.89Å; I156-T162 HydrophobicContact CG1-CG2 4.01Å; Q160-T162 PolarHBondContact O-N 3.1Å; Q160-T162 PolarHBondContact O-OG1 3.33Å; T162-V164 HydrophobicContact CG2-CG1 4.35Å; T162-Y185 PolarHBondContact N-O 3.12Å; T162-L186 HydrophobicContact CG2-CD1 3.98Å; T162-L186 WeakPolarHBondContact O-CA 3.44Å; T162-R187 PolarHBondContact O-N 2.88Å |
| 163 | E | 96.4 | Very high | 96 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.1 | 172.9 | -64.3 | -172 | 107.7 | 0 | 0 | 110.6 | F161 R187 S256 | F161-E163 HydrophobicContact CE1-CG 3.73Å; F161-E163 HydrophobicContact CZ-CG 3.68Å; E163-R187 CarbonylContact C-O 3.05Å; E163-R187 WeakPolarHBondContact CA-O 3.4Å; E163-R187 HydrophobicContact CG-CB 4.4Å; E163-S256 WeakPolarHBondContact O-CB 3.46Å; E163-S256 PolarHBondContact O-OG 3.13Å |
| 164 | V | 96.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.9 | 173.8 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | V147 T151 T162 L186 R187 M188 V189 | V147-V164 HydrophobicContact CG1-CB 4.14Å; V147-V164 HydrophobicContact CG1-CG2 3.92Å; T151-V164 HydrophobicContact CG2-CG1 3.44Å; T151-V164 VanDerWaalsContact CG2-CG1 3.44Å; T162-V164 HydrophobicContact CG2-CG1 4.35Å; V164-L186 HydrophobicContact CG1-CD1 3.97Å; V164-L186 HydrophobicContact CG2-CD1 3.98Å; V164-R187 PolarHBondContact N-O 2.72Å; V164-M188 HydrophobicContact CG2-CB 4.13Å; V164-M188 HydrophobicContact CG2-CE 3.37Å; V164-M188 HydrophobicContact CG2-CG 3.59Å; V164-M188 HydrophobicContact CG2-SD 4.24Å; V164-M188 VanDerWaalsContact O-CA 3.31Å; V164-M188 WeakPolarHBondContact O-CA 3.16Å; V164-V189 PolarHBondContact O-N 3.28Å; V164-V189 VanDerWaalsContact O-N 3.14Å |
| 165 | T | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.2 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | V147 S148 T191 V197 Q255 | V147-T165 WeakPolarHBondContact CA-O 3.36Å; S148-T165 PolarHBondContact N-O 3.09Å; S148-T165 PolarHBondContact O-N 3.4Å; T165-T191 HydrophobicContact CG2-CG2 3.68Å; T165-V197 HydrophobicContact CG2-CG1 4.35Å; T165-V197 HydrophobicContact CG2-CG2 3.42Å; T165-V197 VanDerWaalsContact CG2-CG2 3.42Å; T165-Q255 VanDerWaalsContact OG1-CB 3.27Å; T165-Q255 WeakPolarHBondContact OG1-CB 3.35Å; T165-Q255 PolarHBondContact OG1-OE1 3Å |
| 166 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.4 | 170.3 | -58.6 | 175.1 | 0 | 0 | 0 | 108.3 | V145 V146 V147 A168 V177 K178 M188 V189 I190 T191 | V145-I166 HydrophobicContact CG1-CG2 3.43Å; V145-I166 VanDerWaalsContact CG1-CG2 3.43Å; V146-I166 CarbonylContact O-C 3.55Å; V146-I166 WeakPolarHBondContact O-CA 3.28Å; V147-I166 HydrophobicContact CG2-CG1 4.24Å; I166-A168 HydrophobicContact CG2-CB 4.18Å; I166-V177 HydrophobicContact CD1-CG1 4.18Å; I166-K178 HydrophobicContact CD1-CB 3.72Å; I166-K178 HydrophobicContact CD1-CG 4.43Å; I166-M188 HydrophobicContact CD1-CB 3.96Å; I166-M188 HydrophobicContact CD1-CE 3.54Å; I166-M188 HydrophobicContact CD1-SD 3.85Å; I166-M188 HydrophobicContact CG1-CB 4.25Å; I166-M188 HydrophobicContact CG1-CE 3.51Å; I166-M188 HydrophobicContact CG1-SD 4.4Å; I166-V189 PolarHBondContact N-O 2.73Å; I166-I190 HydrophobicContact CB-CG1 4.12Å; I166-I190 HydrophobicContact CD1-CG1 4.02Å; I166-I190 HydrophobicContact CG2-CG1 4.45Å; I166-I190 CarbonylContact O-C 3.48Å; I166-I190 WeakPolarHBondContact O-CA 3.5Å; I166-T191 PolarHBondContact O-N 2.91Å |
| 167 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 111.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V146 T191 | V146-G167 PolarHBondContact N-O 3.29Å; V146-G167 PolarHBondContact O-N 3.13Å; G167-T191 WeakPolarHBondContact CA-O 3.14Å |
| 168 | A | 97 | Very high | 97 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -140.9 | 115.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | V145 I166 T191 | V145-A168 HydrophobicContact CG1-CB 4.07Å; V145-A168 HydrophobicContact CG2-CB 4.04Å; I166-A168 HydrophobicContact CG2-CB 4.18Å; A168-T191 PolarHBondContact N-O 3.26Å | ||
| 169 | K | 93.3 | Very high | 97.1 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 46% | 0.457 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -64 | -41.1 | 169.8 | -69.7 | -175.6 | 177.2 | -179.6 | 0 | 112.5 | D194 R246 | K169-D194 WeakPolarHBondContact CE-OD1 3.47Å; K169-D194 WeakPolarHBondContact CE-OD2 3.35Å; K169-R246 VanDerWaalsContact NZ-CZ 3.3Å |
| 170 | N | 95.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 32% | 0.316 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -90.4 | 107.1 | 171.5 | -178.6 | -34.6 | 0 | 0 | 0 | 108.2 | D172 H173 G174 | N170-D172 VanDerWaalsContact C-N 3.29Å; N170-D172 PolarHBondContact O-N 3.47Å; N170-D172 WeakPolarHBondContact OD1-CA 3.03Å; N170-D172 WeakPolarHBondContact OD1-CB 3.38Å; N170-D172 PolarHBondContact OD1-N 2.77Å; N170-H173 HydrophobicContact CB-CB 4.14Å; N170-H173 PolarHBondContact ND2-ND1 2.61Å; N170-H173 PolarHBondContact O-N 3.06Å; N170-H173 PolarHBondContact OD1-N 3.34Å; N170-G174 PolarHBondContact O-N 3.02Å |
| 171 | Y | 95.6 | Very high | 97.2 | Very high | 134 Ų | 134 | 44.1 Ų | 44.1 | 53% | 0.525 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -34.7 | -178.5 | -177.9 | -96.2 | 0 | 0 | 0 | 112.7 | G174 S175 I190 | Y171-G174 PolarHBondContact O-N 3.42Å; Y171-S175 VanDerWaalsContact O-CB 3.28Å; Y171-S175 WeakPolarHBondContact O-CB 3.21Å; Y171-S175 PolarHBondContact O-N 3.22Å; Y171-I190 HydrophobicContact CD2-CG2 4.19Å; Y171-I190 HydrophobicContact CE2-CD1 4.4Å; Y171-I190 HydrophobicContact CE2-CG2 4.2Å |
| 172 | D | 97.8 | Very high | 97.2 | Very high | 120 Ų | 120 | 40 Ų | 40 | 64% | 0.642 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65.2 | -42.9 | 178.4 | -62.8 | -31.4 | 0 | 0 | 0 | 111 | N170 S175 E176 | N170-D172 VanDerWaalsContact C-N 3.29Å; N170-D172 PolarHBondContact O-N 3.47Å; N170-D172 WeakPolarHBondContact OD1-CA 3.03Å; N170-D172 WeakPolarHBondContact OD1-CB 3.38Å; N170-D172 PolarHBondContact OD1-N 2.77Å; D172-S175 PolarHBondContact O-N 3.2Å; D172-E176 WeakPolarHBondContact O-CB 3.14Å; D172-E176 PolarHBondContact O-N 2.89Å |
| 173 | H | 98.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 172 | -66.3 | 164.4 | 0 | 0 | 0 | 111.6 | Y112 S143 V145 N170 S175 E176 V177 | Y112-H173 AromaticContact CD1-CD2 3.8Å; Y112-H173 AromaticContact CD1-NE2 3.77Å; Y112-H173 HydrophobicContact CD2-CB 4.25Å; Y112-H173 AromaticContact CE1-CD2 3.81Å; Y112-H173 HydrophobicContact CE2-CB 4.08Å; Y112-H173 AromaticContact CG-ND1 3.98Å; S143-H173 VanDerWaalsContact CB-ND1 3.34Å; S143-H173 WeakPolarHBondContact CB-ND1 3.3Å; S143-H173 PolarHBondContact OG-ND1 2.95Å; V145-H173 HydrophobicContact CG2-CB 3.71Å; N170-H173 HydrophobicContact CB-CB 4.14Å; N170-H173 PolarHBondContact ND2-ND1 2.61Å; N170-H173 PolarHBondContact O-N 3.06Å; N170-H173 PolarHBondContact OD1-N 3.34Å; H173-S175 VanDerWaalsContact C-N 3.32Å; H173-S175 PolarHBondContact O-N 3.03Å; H173-E176 PolarHBondContact O-N 3.2Å; H173-V177 WeakPolarHBondContact O-CB 3.47Å; H173-V177 VanDerWaalsContact O-CG2 3.25Å; H173-V177 WeakPolarHBondContact O-CG2 3.46Å; H173-V177 PolarHBondContact O-N 3.03Å |
| 174 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | N170 Y171 V177 K178 | N170-G174 PolarHBondContact O-N 3.02Å; Y171-G174 PolarHBondContact O-N 3.42Å; G174-V177 PolarHBondContact O-N 3.27Å; G174-K178 WeakPolarHBondContact O-CB 3.33Å; G174-K178 PolarHBondContact O-N 3.11Å |
| 175 | S | 98.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | Y171 D172 H173 K178 R179 | Y171-S175 VanDerWaalsContact O-CB 3.28Å; Y171-S175 WeakPolarHBondContact O-CB 3.21Å; Y171-S175 PolarHBondContact O-N 3.22Å; D172-S175 PolarHBondContact O-N 3.2Å; H173-S175 VanDerWaalsContact C-N 3.32Å; H173-S175 PolarHBondContact O-N 3.03Å; S175-K178 WeakPolarHBondContact O-CB 3.46Å; S175-K178 PolarHBondContact O-N 2.93Å; S175-R179 PolarHBondContact O-N 3Å; S175-R179 PolarHBondContact O-NH1 3.01Å; S175-R179 PolarHBondContact OG-NH1 2.8Å |
| 176 | E | 98.2 | Very high | 97.2 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 174.1 | -174.5 | 166.9 | 99.3 | 0 | 0 | 112.3 | K2 F30 I86 Y112 D172 H173 K178 R179 L180 | K2-E176 WeakPolarHBondContact CD-OE1 3.32Å; K2-E176 IonicContact NZ-OE1 2.82Å; K2-E176 PolarHBondContact NZ-OE1 2.88Å; K2-E176 IonicContact NZ-OE2 3.64Å; K2-E176 PolarHBondContact NZ-OE2 2.96Å; F30-E176 HydrophobicContact CE1-CG 3.91Å; F30-E176 HydrophobicContact CZ-CG 3.89Å; I86-E176 HydrophobicContact CD1-CG 4.29Å; Y112-E176 WeakPolarHBondContact CE1-OE1 3.24Å; Y112-E176 WeakPolarHBondContact OH-CG 3.31Å; Y112-E176 PolarHBondContact OH-OE1 2.76Å; D172-E176 WeakPolarHBondContact O-CB 3.14Å; D172-E176 PolarHBondContact O-N 2.89Å; H173-E176 PolarHBondContact O-N 3.2Å; E176-K178 VanDerWaalsContact C-N 3.26Å; E176-K178 PolarHBondContact O-N 3.38Å; E176-R179 PolarHBondContact O-N 3.14Å; E176-R179 VanDerWaalsContact O-N 3.1Å; E176-R179 IonicContact OE2-NH2 3.37Å; E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 PolarHBondContact O-N 3.4Å |
| 177 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 173.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | Y112 V114 V145 V147 I166 H173 G174 L180 L181 | Y112-V177 HydrophobicContact CE2-CG2 3.83Å; V114-V177 HydrophobicContact CG1-CG1 4Å; V114-V177 HydrophobicContact CG1-CG2 4.34Å; V114-V177 HydrophobicContact CG2-CG2 3.49Å; V114-V177 VanDerWaalsContact CG2-CG2 3.49Å; V145-V177 HydrophobicContact CB-CG2 4.22Å; V145-V177 HydrophobicContact CG1-CB 4.38Å; V145-V177 HydrophobicContact CG1-CG1 4.3Å; V145-V177 HydrophobicContact CG1-CG2 4.15Å; V145-V177 HydrophobicContact CG2-CG2 4.21Å; V147-V177 HydrophobicContact CG2-CG1 3.99Å; I166-V177 HydrophobicContact CD1-CG1 4.18Å; H173-V177 WeakPolarHBondContact O-CB 3.47Å; H173-V177 VanDerWaalsContact O-CG2 3.25Å; H173-V177 WeakPolarHBondContact O-CG2 3.46Å; H173-V177 PolarHBondContact O-N 3.03Å; G174-V177 PolarHBondContact O-N 3.27Å; V177-L180 WeakPolarHBondContact O-CB 3.35Å; V177-L180 PolarHBondContact O-N 3.39Å; V177-L181 HydrophobicContact CG1-CD1 3.62Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 PolarHBondContact O-N 3.24Å |
| 178 | K | 98.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 49 Ų | 49 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.5 | -177 | 166.7 | 178.4 | 158.7 | 0 | 112 | I166 G174 S175 E176 L180 L181 Q182 M188 I190 | I166-K178 HydrophobicContact CD1-CB 3.72Å; I166-K178 HydrophobicContact CD1-CG 4.43Å; G174-K178 WeakPolarHBondContact O-CB 3.33Å; G174-K178 PolarHBondContact O-N 3.11Å; S175-K178 WeakPolarHBondContact O-CB 3.46Å; S175-K178 PolarHBondContact O-N 2.93Å; E176-K178 VanDerWaalsContact C-N 3.26Å; E176-K178 PolarHBondContact O-N 3.38Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 3.42Å; K178-L181 PolarHBondContact O-N 3.16Å; K178-Q182 HydrophobicContact CG-CB 4.28Å; K178-Q182 WeakPolarHBondContact O-CB 3.36Å; K178-Q182 PolarHBondContact O-N 3.49Å; K178-M188 WeakPolarHBondContact CE-O 3.07Å; K178-M188 HydrophobicContact CG-CB 4.43Å; K178-M188 PolarHBondContact NZ-O 2.91Å; K178-I190 HydrophobicContact CB-CD1 4.1Å; K178-I190 HydrophobicContact CD-CD1 3.77Å; K178-I190 HydrophobicContact CD-CG1 4.08Å |
| 179 | R | 97.5 | Very high | 97.2 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 40% | 0.396 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.5 | -31.7 | 175.1 | -69.8 | -170.2 | -57.8 | -76.4 | 2.3 | 112.7 | N23 E29 F30 S175 E176 | N23-R179 PolarHBondContact ND2-O 3.26Å; E29-R179 IonicContact OE1-CZ 3.06Å; E29-R179 IonicContact OE1-NE 3.44Å; E29-R179 PolarHBondContact OE1-NE 2.87Å; E29-R179 IonicContact OE1-NH2 2.8Å; E29-R179 PolarHBondContact OE1-NH2 3.37Å; E29-R179 IonicContact OE2-CZ 2.61Å; E29-R179 IonicContact OE2-NE 3.59Å; E29-R179 PolarHBondContact OE2-NE 2.86Å; E29-R179 IonicContact OE2-NH2 2.67Å; F30-R179 HydrophobicContact CE2-CB 4.3Å; F30-R179 HydrophobicContact CZ-CB 4.46Å; S175-R179 PolarHBondContact O-N 3Å; S175-R179 PolarHBondContact O-NH1 3.01Å; S175-R179 PolarHBondContact OG-NH1 2.8Å; E176-R179 PolarHBondContact O-N 3.14Å; E176-R179 VanDerWaalsContact O-N 3.1Å; E176-R179 IonicContact OE2-NH2 3.37Å |
| 180 | L | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.1 | -34.6 | 179 | -177.7 | 63.9 | 0 | 0 | 0 | 113.1 | V4 I20 N23 V24 F30 I86 E176 V177 K178 | V4-L180 HydrophobicContact CG1-CD2 4.17Å; V4-L180 HydrophobicContact CG2-CD1 3.92Å; V4-L180 HydrophobicContact CG2-CD2 4.18Å; I20-L180 HydrophobicContact CG1-CG 4.37Å; I20-L180 HydrophobicContact CG2-CD1 3.7Å; I20-L180 HydrophobicContact CG2-CG 4.18Å; N23-L180 PolarHBondContact ND2-O 2.87Å; V24-L180 HydrophobicContact CG1-CD1 3.64Å; F30-L180 HydrophobicContact CD1-CD1 3.92Å; F30-L180 HydrophobicContact CD2-CD1 3.98Å; F30-L180 HydrophobicContact CE1-CB 4.39Å; F30-L180 HydrophobicContact CE1-CD1 4.09Å; F30-L180 HydrophobicContact CE2-CB 4.2Å; F30-L180 HydrophobicContact CE2-CD1 4.14Å; F30-L180 HydrophobicContact CG-CD1 3.88Å; F30-L180 HydrophobicContact CZ-CB 3.96Å; F30-L180 HydrophobicContact CZ-CD1 4.2Å; I86-L180 HydrophobicContact CD1-CD2 4.07Å; I86-L180 HydrophobicContact CG2-CD2 4.17Å; E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 PolarHBondContact O-N 3.4Å; V177-L180 WeakPolarHBondContact O-CB 3.35Å; V177-L180 PolarHBondContact O-N 3.39Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 3.42Å |
| 181 | L | 97.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -111.7 | -27.8 | -169.8 | -69.6 | 166.8 | 0 | 0 | 0 | 114.8 | I16 V19 I20 F116 V147 V177 K178 T183 L186 M188 | I16-L181 HydrophobicContact CG2-CD2 4.32Å; V19-L181 HydrophobicContact CG1-CD2 4.48Å; V19-L181 WeakPolarHBondContact CG1-O 3.36Å; I20-L181 HydrophobicContact CD1-CD2 3.98Å; I20-L181 HydrophobicContact CG1-CD2 3.49Å; I20-L181 VanDerWaalsContact CG1-CD2 3.49Å; F116-L181 HydrophobicContact CE2-CD1 4.37Å; F116-L181 HydrophobicContact CZ-CD1 3.63Å; F116-L181 HydrophobicContact CZ-CD2 4.19Å; V147-L181 HydrophobicContact CG2-CD1 4.47Å; V177-L181 HydrophobicContact CG1-CD1 3.62Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 PolarHBondContact O-N 3.24Å; K178-L181 PolarHBondContact O-N 3.16Å; L181-T183 PolarHBondContact O-N 3.17Å; L181-L186 HydrophobicContact CB-CD2 4.47Å; L181-M188 HydrophobicContact CB-CE 3.94Å; L181-M188 HydrophobicContact CB-SD 3.53Å; L181-M188 VanDerWaalsContact CB-SD 3.53Å; L181-M188 HydrophobicContact CD1-CE 3.65Å; L181-M188 HydrophobicContact CD1-SD 4.33Å; L181-M188 HydrophobicContact CG-CE 4.47Å |
| 182 | Q | 97.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 48 Ų | 48 | 23% | 0.229 | 24% | 0.235 | C | C | . | . | trans | -70.9 | 130.1 | -169.9 | -173.9 | 177.6 | -105.7 | 0 | 0 | 111.7 | K178 L186 M188 | K178-Q182 HydrophobicContact CG-CB 4.28Å; K178-Q182 WeakPolarHBondContact O-CB 3.36Å; K178-Q182 PolarHBondContact O-N 3.49Å; Q182-L186 WeakPolarHBondContact CA-O 3.39Å; Q182-L186 WeakPolarHBondContact CG-O 3.41Å; Q182-M188 HydrophobicContact CB-CG 4.39Å; Q182-M188 HydrophobicContact CB-SD 4.31Å | ||
| 183 | T | 95.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 13% | 0.129 | 21% | 0.207 | C | C | . | . | trans | -127.2 | -171.6 | 174.1 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | V19 L181 Y185 L186 R187 | V19-T183 HydrophobicContact CG1-CG2 4.27Å; L181-T183 PolarHBondContact O-N 3.17Å; T183-Y185 VanDerWaalsContact C-N 3.29Å; T183-Y185 HydrophobicContact CG2-CE1 4.03Å; T183-Y185 WeakPolarHBondContact OG1-CD1 3.08Å; T183-Y185 WeakPolarHBondContact OG1-CD2 3.49Å; T183-Y185 VanDerWaalsContact OG1-CE1 3.24Å; T183-Y185 WeakPolarHBondContact OG1-CE1 3.48Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.23Å; T183-Y185 VanDerWaalsContact OG1-CG 3.29Å; T183-Y185 PolarHBondContact OG1-N 3.47Å; T183-L186 PolarHBondContact N-O 2.77Å; T183-L186 WeakPolarHBondContact OG1-CB 3.09Å; T183-L186 PolarHBondContact OG1-N 2.98Å; T183-R187 VanDerWaalsContact O-CD 3.32Å; T183-R187 WeakPolarHBondContact O-CD 3.42Å; T183-R187 PolarHBondContact O-NH1 3.17Å | ||
| 184 | D | 95.6 | Very high | 97.2 | Very high | 152 Ų | 152 | 40.7 Ų | 40.7 | 81% | 0.813 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -69.8 | -29.4 | 172.1 | -68.1 | -24 | 0 | 0 | 0 | 112.1 | ||
| 185 | Y | 96.8 | Very high | 97 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 9% | 0.09 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -97.4 | -23.9 | 179.4 | 60.2 | -93.9 | 0 | 0 | 0 | 113.3 | V19 Q159 F161 T162 T183 | V19-Y185 HydrophobicContact CG2-CE2 4.17Å; Q159-Y185 HydrophobicContact CB-CD1 3.61Å; Q159-Y185 HydrophobicContact CB-CD2 4.11Å; Q159-Y185 HydrophobicContact CB-CE1 3.81Å; Q159-Y185 HydrophobicContact CB-CE2 4.28Å; Q159-Y185 HydrophobicContact CB-CG 3.77Å; Q159-Y185 HydrophobicContact CG-CD1 3.98Å; Q159-Y185 HydrophobicContact CG-CE1 3.62Å; Q159-Y185 HydrophobicContact CG-CE2 4.25Å; Q159-Y185 HydrophobicContact CG-CG 4.44Å; Q159-Y185 WeakPolarHBondContact O-CB 3.46Å; F161-Y185 CarbonylContact C-O 3.6Å; F161-Y185 WeakPolarHBondContact CA-O 3.4Å; T162-Y185 PolarHBondContact N-O 3.12Å; T183-Y185 VanDerWaalsContact C-N 3.29Å; T183-Y185 HydrophobicContact CG2-CE1 4.03Å; T183-Y185 WeakPolarHBondContact OG1-CD1 3.08Å; T183-Y185 WeakPolarHBondContact OG1-CD2 3.49Å; T183-Y185 VanDerWaalsContact OG1-CE1 3.24Å; T183-Y185 WeakPolarHBondContact OG1-CE1 3.48Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.23Å; T183-Y185 VanDerWaalsContact OG1-CG 3.29Å; T183-Y185 PolarHBondContact OG1-N 3.47Å |
| 186 | L | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 101.4 | 176.3 | -177.8 | 59.5 | 0 | 0 | 0 | 110 | V19 I156 T162 V164 L181 Q182 T183 | V19-L186 HydrophobicContact CG1-CD2 3.91Å; I156-L186 HydrophobicContact CD1-CD1 4.21Å; T162-L186 HydrophobicContact CG2-CD1 3.98Å; T162-L186 WeakPolarHBondContact O-CA 3.44Å; V164-L186 HydrophobicContact CG1-CD1 3.97Å; V164-L186 HydrophobicContact CG2-CD1 3.98Å; L181-L186 HydrophobicContact CB-CD2 4.47Å; Q182-L186 WeakPolarHBondContact CA-O 3.39Å; Q182-L186 WeakPolarHBondContact CG-O 3.41Å; T183-L186 PolarHBondContact N-O 2.77Å; T183-L186 WeakPolarHBondContact OG1-CB 3.09Å; T183-L186 PolarHBondContact OG1-N 2.98Å |
| 187 | R | 97.7 | Very high | 96.7 | Very high | 102 Ų | 102 | 38.5 Ų | 38.5 | 39% | 0.385 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142.8 | -179 | -57.6 | -56.7 | -64.3 | -179.1 | -6.7 | 111 | F161 T162 E163 V164 T183 | F161-R187 HydrophobicContact CE2-CG 3.78Å; F161-R187 HydrophobicContact CZ-CG 4.41Å; T162-R187 PolarHBondContact O-N 2.88Å; E163-R187 CarbonylContact C-O 3.05Å; E163-R187 WeakPolarHBondContact CA-O 3.4Å; E163-R187 HydrophobicContact CG-CB 4.4Å; V164-R187 PolarHBondContact N-O 2.72Å; T183-R187 VanDerWaalsContact O-CD 3.32Å; T183-R187 WeakPolarHBondContact O-CD 3.42Å; T183-R187 PolarHBondContact O-NH1 3.17Å |
| 188 | M | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.7 | -170.7 | -43.3 | -177.9 | 83 | 0 | 0 | 112.4 | V147 V164 I166 K178 L181 Q182 | V147-M188 HydrophobicContact CG1-CE 3.73Å; V147-M188 HydrophobicContact CG2-CE 4.45Å; V164-M188 HydrophobicContact CG2-CB 4.13Å; V164-M188 HydrophobicContact CG2-CE 3.37Å; V164-M188 HydrophobicContact CG2-CG 3.59Å; V164-M188 HydrophobicContact CG2-SD 4.24Å; V164-M188 VanDerWaalsContact O-CA 3.31Å; V164-M188 WeakPolarHBondContact O-CA 3.16Å; I166-M188 HydrophobicContact CD1-CB 3.96Å; I166-M188 HydrophobicContact CD1-CE 3.54Å; I166-M188 HydrophobicContact CD1-SD 3.85Å; I166-M188 HydrophobicContact CG1-CB 4.25Å; I166-M188 HydrophobicContact CG1-CE 3.51Å; I166-M188 HydrophobicContact CG1-SD 4.4Å; K178-M188 WeakPolarHBondContact CE-O 3.07Å; K178-M188 HydrophobicContact CG-CB 4.43Å; K178-M188 PolarHBondContact NZ-O 2.91Å; L181-M188 HydrophobicContact CB-CE 3.94Å; L181-M188 HydrophobicContact CB-SD 3.53Å; L181-M188 VanDerWaalsContact CB-SD 3.53Å; L181-M188 HydrophobicContact CD1-CE 3.65Å; L181-M188 HydrophobicContact CD1-SD 4.33Å; L181-M188 HydrophobicContact CG-CE 4.47Å; Q182-M188 HydrophobicContact CB-CG 4.39Å; Q182-M188 HydrophobicContact CB-SD 4.31Å |
| 189 | V | 97.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 47% | 0.473 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143 | 169 | -179 | 0 | 0 | 0 | 0 | 109.1 | V164 I166 | V164-V189 PolarHBondContact O-N 3.28Å; V164-V189 VanDerWaalsContact O-N 3.14Å; I166-V189 PolarHBondContact N-O 2.73Å |
| 190 | I | 97.7 | Very high | 96 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 19% | 0.185 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.8 | 177.1 | -58.1 | 167.1 | 0 | 0 | 0 | 108.6 | I166 Y171 K178 | I166-I190 HydrophobicContact CB-CG1 4.12Å; I166-I190 HydrophobicContact CD1-CG1 4.02Å; I166-I190 HydrophobicContact CG2-CG1 4.45Å; I166-I190 CarbonylContact O-C 3.48Å; I166-I190 WeakPolarHBondContact O-CA 3.5Å; Y171-I190 HydrophobicContact CD2-CG2 4.19Å; Y171-I190 HydrophobicContact CE2-CD1 4.4Å; Y171-I190 HydrophobicContact CE2-CG2 4.2Å; K178-I190 HydrophobicContact CB-CD1 4.1Å; K178-I190 HydrophobicContact CD-CD1 3.77Å; K178-I190 HydrophobicContact CD-CG1 4.08Å |
| 191 | T | 97 | Very high | 95.5 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 16% | 0.16 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.1 | 168.3 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | T165 I166 G167 A168 D193 V197 | T165-T191 HydrophobicContact CG2-CG2 3.68Å; I166-T191 PolarHBondContact O-N 2.91Å; G167-T191 WeakPolarHBondContact CA-O 3.14Å; A168-T191 PolarHBondContact N-O 3.26Å; T191-D193 VanDerWaalsContact C-N 3.32Å; T191-D193 HydrophobicContact CG2-CB 4.45Å; T191-D193 PolarHBondContact OG1-N 3.35Å; T191-V197 HydrophobicContact CG2-CG2 3.47Å; T191-V197 VanDerWaalsContact CG2-CG2 3.47Å |
| 192 | Q | 95.5 | Very high | 94.9 | Very high | 135 Ų | 135 | 30.6 Ų | 30.6 | 63% | 0.631 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -83.3 | -13.2 | 172.8 | -70 | -176.6 | -40.6 | 0 | 0 | 112.6 | D194 | Q192-D194 PolarHBondContact O-N 3.07Š|
| 193 | D | 95.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | trans | -77 | 70.1 | 175.9 | -177.5 | 13.7 | 0 | 0 | 0 | 111.3 | T191 V195 G196 V197 T248 D249 T252 | T191-D193 VanDerWaalsContact C-N 3.32Å; T191-D193 HydrophobicContact CG2-CB 4.45Å; T191-D193 PolarHBondContact OG1-N 3.35Å; D193-V195 PolarHBondContact O-N 2.95Å; D193-G196 PolarHBondContact O-N 3.23Å; D193-G196 WeakPolarHBondContact OD1-CA 3.07Å; D193-G196 PolarHBondContact OD1-N 3.03Å; D193-V197 VanDerWaalsContact O-CG2 3.31Å; D193-V197 WeakPolarHBondContact O-CG2 3.31Å; D193-V197 PolarHBondContact O-N 3Å; D193-T248 WeakPolarHBondContact OD1-CA 3.23Å; D193-T248 WeakPolarHBondContact OD2-CA 3.39Å; D193-D249 PolarHBondContact OD2-N 3.01Å; D193-T252 WeakPolarHBondContact CB-OG1 3.4Å; D193-T252 VanDerWaalsContact OD2-CB 3.28Å; D193-T252 WeakPolarHBondContact OD2-CB 3.05Å; D193-T252 PolarHBondContact OD2-OG1 3.44Å | ||
| 194 | D | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -31 | 178.1 | 70.3 | -41.4 | 0 | 0 | 0 | 112.9 | R137 K169 Q192 E198 | R137-D194 IonicContact CZ-OD2 3.7Å; R137-D194 VanDerWaalsContact CZ-OD2 3.25Å; R137-D194 IonicContact NH1-OD2 2.83Å; R137-D194 PolarHBondContact NH1-OD2 3.1Å; R137-D194 VanDerWaalsContact NH1-OD2 3.08Å; R137-D194 IonicContact NH2-OD2 2.73Å; R137-D194 PolarHBondContact NH2-OD2 3.29Å; K169-D194 WeakPolarHBondContact CE-OD1 3.47Å; K169-D194 WeakPolarHBondContact CE-OD2 3.35Å; Q192-D194 PolarHBondContact O-N 3.07Å; D194-E198 WeakPolarHBondContact O-CB 3.28Å; D194-E198 PolarHBondContact O-N 3.15Å |
| 195 | V | 94.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.5 | -49.9 | 177.7 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | L131 D193 V197 E198 L199 F243 R246 T248 | L131-V195 HydrophobicContact CD1-CB 4.1Å; L131-V195 HydrophobicContact CD1-CG1 4.02Å; L131-V195 HydrophobicContact CD1-CG2 3.64Å; D193-V195 PolarHBondContact O-N 2.95Å; V195-V197 VanDerWaalsContact C-N 3.35Å; V195-V197 PolarHBondContact O-N 3.19Å; V195-E198 PolarHBondContact O-N 3.06Å; V195-L199 HydrophobicContact CG1-CD1 3.5Å; V195-L199 VanDerWaalsContact CG1-CD1 3.5Å; V195-L199 HydrophobicContact CG1-CG 4.33Å; V195-L199 WeakPolarHBondContact O-CB 3.41Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.09Å; V195-L199 PolarHBondContact O-N 3.26Å; V195-F243 HydrophobicContact CG1-CB 3.81Å; V195-F243 HydrophobicContact CG1-CD1 4.2Å; V195-F243 HydrophobicContact CG1-CD2 3.64Å; V195-F243 HydrophobicContact CG1-CE2 4.23Å; V195-F243 HydrophobicContact CG1-CG 3.62Å; V195-R246 HydrophobicContact CB-CB 4.41Å; V195-R246 HydrophobicContact CG2-CB 3.76Å; V195-R246 HydrophobicContact CG2-CG 4.27Å; V195-T248 HydrophobicContact CB-CG2 3.93Å; V195-T248 HydrophobicContact CG1-CG2 3.54Å |
| 196 | G | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | D193 E198 L199 C200 | D193-G196 PolarHBondContact O-N 3.23Å; D193-G196 WeakPolarHBondContact OD1-CA 3.07Å; D193-G196 PolarHBondContact OD1-N 3.03Å; G196-E198 PolarHBondContact O-N 3.5Å; G196-L199 PolarHBondContact O-N 2.81Å; G196-C200 WeakPolarHBondContact O-CB 3.3Å; G196-C200 PolarHBondContact O-N 3.13Å; G196-C200 PolarHBondContact O-SG 2.85Å |
| 197 | V | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 177.8 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | V146 T165 T191 D193 V195 T252 C257 | V146-V197 HydrophobicContact CB-CG1 4.47Å; V146-V197 HydrophobicContact CG1-CG1 4.07Å; T165-V197 HydrophobicContact CG2-CG1 4.35Å; T165-V197 HydrophobicContact CG2-CG2 3.42Å; T165-V197 VanDerWaalsContact CG2-CG2 3.42Å; T191-V197 HydrophobicContact CG2-CG2 3.47Å; T191-V197 VanDerWaalsContact CG2-CG2 3.47Å; D193-V197 VanDerWaalsContact O-CG2 3.31Å; D193-V197 WeakPolarHBondContact O-CG2 3.31Å; D193-V197 PolarHBondContact O-N 3Å; V195-V197 VanDerWaalsContact C-N 3.35Å; V195-V197 PolarHBondContact O-N 3.19Å; V197-T252 HydrophobicContact CG2-CG2 3.81Å; V197-C257 HydrophobicContact CG1-CB 4.17Å |
| 198 | E | 94.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.009 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70.2 | -40.6 | -178.7 | -165.2 | 167.3 | 167.4 | 0 | 0 | 112.5 | L131 V132 S133 V146 D194 V195 G196 G201 G202 | L131-E198 HydrophobicContact CD2-CB 4.25Å; L131-E198 HydrophobicContact CD2-CG 4.22Å; V132-E198 VanDerWaalsContact CA-OE1 3.29Å; V132-E198 WeakPolarHBondContact CA-OE1 3.37Å; V132-E198 VanDerWaalsContact CB-OE1 3.23Å; V132-E198 WeakPolarHBondContact CB-OE1 3.33Å; V132-E198 PolarHBondContact N-OE1 3.19Å; S133-E198 WeakPolarHBondContact CB-OE2 3.41Å; S133-E198 PolarHBondContact N-OE1 3.13Å; S133-E198 VanDerWaalsContact N-OE1 3.07Å; S133-E198 PolarHBondContact N-OE2 3Å; S133-E198 PolarHBondContact OG-OE2 2.79Å; V146-E198 HydrophobicContact CG1-CB 3.99Å; V146-E198 HydrophobicContact CG1-CG 4.25Å; V146-E198 HydrophobicContact CG2-CB 4.49Å; V146-E198 WeakPolarHBondContact CG2-OE2 3.36Å; D194-E198 WeakPolarHBondContact O-CB 3.28Å; D194-E198 PolarHBondContact O-N 3.15Å; V195-E198 PolarHBondContact O-N 3.06Å; G196-E198 PolarHBondContact O-N 3.5Å; E198-G201 PolarHBondContact O-N 3.12Å; E198-G202 PolarHBondContact O-N 3.24Å |
| 199 | L | 92.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.9 | -32.3 | -179.8 | -73.8 | 169.9 | 0 | 0 | 0 | 112.8 | L120 L131 V195 G196 G201 G202 I203 M239 F243 | L120-L199 HydrophobicContact CD1-CD2 3.95Å; L120-L199 HydrophobicContact CD2-CD2 3.34Å; L120-L199 HydrophobicContact CD2-CG 4.46Å; L120-L199 HydrophobicContact CG-CD2 4.13Å; L131-L199 HydrophobicContact CD2-CD2 4.01Å; L131-L199 HydrophobicContact CD2-CG 3.96Å; V195-L199 HydrophobicContact CG1-CD1 3.5Å; V195-L199 VanDerWaalsContact CG1-CD1 3.5Å; V195-L199 HydrophobicContact CG1-CG 4.33Å; V195-L199 WeakPolarHBondContact O-CB 3.41Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.09Å; V195-L199 PolarHBondContact O-N 3.26Å; G196-L199 PolarHBondContact O-N 2.81Å; L199-G201 VanDerWaalsContact C-N 3.32Å; L199-G201 PolarHBondContact O-N 2.81Å; L199-G202 PolarHBondContact O-N 2.65Å; L199-I203 HydrophobicContact CB-CD1 3.95Å; L199-I203 HydrophobicContact CD2-CD1 4.16Å; L199-I203 WeakPolarHBondContact O-CG1 3.23Å; L199-I203 PolarHBondContact O-N 3.07Å; L199-M239 HydrophobicContact CB-CE 3.83Å; L199-M239 HydrophobicContact CB-CG 3.79Å; L199-M239 HydrophobicContact CB-SD 4.25Å; L199-M239 HydrophobicContact CD1-CB 4.02Å; L199-M239 HydrophobicContact CD1-CG 3.63Å; L199-M239 HydrophobicContact CG-CG 4.33Å; L199-F243 HydrophobicContact CD1-CD2 3.54Å; L199-F243 HydrophobicContact CD1-CE2 3.63Å; L199-F243 HydrophobicContact CD2-CE2 4.03Å; L199-F243 HydrophobicContact CG-CE2 4.31Å |
| 200 | C | 93.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 176 | -73.6 | 0 | 0 | 0 | 0 | 110.8 | G196 G202 K204 M235 M239 C257 | G196-C200 WeakPolarHBondContact O-CB 3.3Å; G196-C200 PolarHBondContact O-N 3.13Å; G196-C200 PolarHBondContact O-SG 2.85Å; C200-G202 PolarHBondContact O-N 3.34Å; C200-K204 WeakPolarHBondContact O-CB 3.34Å; C200-K204 PolarHBondContact O-N 3.32Å; C200-M235 HydrophobicContact CB-CE 4.26Å; C200-M239 HydrophobicContact CB-CE 4.34Å; C200-M239 VanDerWaalsContact SG-CE 3.54Å; C200-C257 HydrophobicContact CB-CB 4.32Å; C200-C257 WeakPolarHBondContact CB-O 3.38Å |
| 201 | G | 86.2 | Confident | 94 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.9 | -28.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E198 L199 K204 H205 | E198-G201 PolarHBondContact O-N 3.12Å; L199-G201 VanDerWaalsContact C-N 3.32Å; L199-G201 PolarHBondContact O-N 2.81Å; G201-K204 WeakPolarHBondContact O-CE 3.3Å; G201-H205 PolarHBondContact O-CE1 3.32Å |
| 202 | G | 86 | Confident | 94 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -89.8 | -44.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E198 L199 C200 K204 H205 Y317 | E198-G202 PolarHBondContact O-N 3.24Å; L199-G202 PolarHBondContact O-N 2.65Å; C200-G202 PolarHBondContact O-N 3.34Å; G202-K204 VanDerWaalsContact C-N 3.35Å; G202-H205 PolarHBondContact O-ND1 3.17Å; G202-H205 VanDerWaalsContact O-ND1 3.14Å; G202-Y317 WeakPolarHBondContact O-CD1 3.41Å; G202-Y317 WeakPolarHBondContact O-CE1 3.47Å |
| 203 | I | 91.4 | Very high | 94 | Very high | 0 Ų | 0 | 0.6 Ų | 0.6 | 0% | 0 | 0% | 0.003 | C | C | . | . | H | α-helix | trans | -76.2 | -27.1 | -173 | -58.4 | 165.2 | 0 | 0 | 0 | 111.1 | L199 H205 V206 M235 L238 M239 I321 F337 | L199-I203 HydrophobicContact CB-CD1 3.95Å; L199-I203 HydrophobicContact CD2-CD1 4.16Å; L199-I203 WeakPolarHBondContact O-CG1 3.23Å; L199-I203 PolarHBondContact O-N 3.07Å; I203-H205 PolarHBondContact O-N 3.46Å; I203-V206 PolarHBondContact O-N 3.33Å; I203-V206 VanDerWaalsContact O-N 3.1Å; I203-M235 HydrophobicContact CB-CE 4.38Å; I203-M235 HydrophobicContact CB-CG 4.1Å; I203-M235 HydrophobicContact CG2-CB 4.47Å; I203-M235 HydrophobicContact CG2-CG 3.56Å; I203-L238 HydrophobicContact CD1-CD2 3.97Å; I203-L238 HydrophobicContact CD1-CG 4.42Å; I203-L238 HydrophobicContact CG1-CD2 4.37Å; I203-L238 HydrophobicContact CG2-CD2 4.31Å; I203-M239 HydrophobicContact CD1-CE 4.03Å; I203-M239 HydrophobicContact CD1-CG 4.08Å; I203-I321 HydrophobicContact CG2-CD1 4.12Å; I203-F337 HydrophobicContact CG2-CE1 4.14Å; I203-F337 HydrophobicContact CG2-CE2 3.88Å; I203-F337 HydrophobicContact CG2-CZ 3.43Å; I203-F337 VanDerWaalsContact CG2-CZ 3.43Å |
| 204 | K | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 0.2 Ų | 0.2 | 0% | 0.004 | 0% | 0.001 | C | C | . | . | H | α-helix | trans | -51.2 | -31.7 | -178.4 | 71.7 | 177.3 | -171.5 | 171.2 | 0 | 113.6 | C200 G201 G202 V206 V207 A208 M235 E261 L262 D281 | C200-K204 WeakPolarHBondContact O-CB 3.34Å; C200-K204 PolarHBondContact O-N 3.32Å; G201-K204 WeakPolarHBondContact O-CE 3.3Å; G202-K204 VanDerWaalsContact C-N 3.35Å; K204-V206 VanDerWaalsContact C-N 3.28Å; K204-V206 PolarHBondContact O-N 3.05Å; K204-V207 PolarHBondContact O-N 2.84Å; K204-V207 VanDerWaalsContact O-N 3.13Å; K204-A208 PolarHBondContact O-N 3.04Å; K204-M235 HydrophobicContact CB-CE 4.42Å; K204-E261 HydrophobicContact CD-CB 3.8Å; K204-E261 IonicContact NZ-OE1 3.82Å; K204-E261 PolarHBondContact NZ-OE1 2.84Å; K204-L262 HydrophobicContact CB-CB 4.49Å; K204-L262 HydrophobicContact CB-CD1 4.11Å; K204-D281 IonicContact NZ-OD2 3.61Å |
| 205 | H | 92.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -64.6 | -32.1 | -175.3 | -55.3 | 120.6 | 0 | 0 | 0 | 112.4 | G201 G202 I203 A208 I209 D281 N284 T312 | G201-H205 PolarHBondContact O-CE1 3.32Å; G202-H205 PolarHBondContact O-ND1 3.17Å; G202-H205 VanDerWaalsContact O-ND1 3.14Å; I203-H205 PolarHBondContact O-N 3.46Å; H205-A208 PolarHBondContact O-N 3.08Å; H205-I209 WeakPolarHBondContact O-CG1 3.26Å; H205-I209 PolarHBondContact O-N 3.49Å; H205-D281 IonicContact CD2-OD2 2.67Å; H205-D281 IonicContact CE1-OD2 3.36Å; H205-D281 WeakPolarHBondContact NE2-CB 3.28Å; H205-D281 IonicContact NE2-OD1 3.25Å; H205-D281 IonicContact NE2-OD2 2.67Å; H205-D281 PolarHBondContact NE2-OD2 3.12Å; H205-N284 HydrophobicContact CB-CB 4.34Å; H205-N284 PolarHBondContact CD2-ND2 2.81Å; H205-N284 VanDerWaalsContact CD2-ND2 3.31Å; H205-T312 WeakPolarHBondContact CE1-CB 3.48Å; H205-T312 WeakPolarHBondContact CE1-CG2 3.32Å; H205-T312 VanDerWaalsContact ND1-CG2 3.33Å; H205-T312 WeakPolarHBondContact ND1-CG2 3.49Å |
| 206 | V | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | I203 K204 I209 A210 A318 I321 F337 V340 | I203-V206 PolarHBondContact O-N 3.33Å; I203-V206 VanDerWaalsContact O-N 3.1Å; K204-V206 VanDerWaalsContact C-N 3.28Å; K204-V206 PolarHBondContact O-N 3.05Å; V206-I209 PolarHBondContact O-N 3.09Å; V206-A210 PolarHBondContact O-N 3.13Å; V206-A318 HydrophobicContact CG1-CB 4.14Å; V206-A318 HydrophobicContact CG2-CB 4.08Å; V206-I321 HydrophobicContact CG2-CD1 4.03Å; V206-F337 HydrophobicContact CB-CD1 4.25Å; V206-F337 HydrophobicContact CB-CE1 4.43Å; V206-F337 HydrophobicContact CG1-CB 4.45Å; V206-F337 HydrophobicContact CG1-CD1 3.66Å; V206-F337 HydrophobicContact CG1-CE1 4.3Å; V206-F337 HydrophobicContact CG1-CG 4.31Å; V206-V340 HydrophobicContact CG1-CB 3.91Å; V206-V340 HydrophobicContact CG1-CG1 3.73Å; V206-V340 HydrophobicContact CG1-CG2 4.27Å |
| 207 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -68.1 | -37.6 | 175.2 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | K204 I209 A210 A211 V227 M235 L262 M266 F337 | K204-V207 PolarHBondContact O-N 2.84Å; K204-V207 VanDerWaalsContact O-N 3.13Å; V207-I209 VanDerWaalsContact C-N 3.31Å; V207-I209 PolarHBondContact O-N 3.38Å; V207-A210 WeakPolarHBondContact O-CB 3.44Å; V207-A210 PolarHBondContact O-N 2.93Å; V207-A210 VanDerWaalsContact O-N 3.15Å; V207-A211 PolarHBondContact O-N 2.84Å; V207-V227 HydrophobicContact CG1-CG1 3.95Å; V207-M235 HydrophobicContact CG2-CG 4.38Å; V207-M235 HydrophobicContact CG2-SD 4.09Å; V207-L262 HydrophobicContact CB-CD1 3.77Å; V207-L262 HydrophobicContact CB-CD2 4.09Å; V207-L262 HydrophobicContact CG1-CD1 3.91Å; V207-L262 HydrophobicContact CG1-CD2 3.78Å; V207-L262 HydrophobicContact CG1-CG 4.4Å; V207-L262 HydrophobicContact CG2-CD2 4.44Å; V207-M266 HydrophobicContact CG1-SD 4.25Å; V207-F337 HydrophobicContact CG2-CE1 3.74Å; V207-F337 HydrophobicContact CG2-CZ 4.45Å |
| 208 | A | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | K204 H205 A211 G212 C265 N284 | K204-A208 PolarHBondContact O-N 3.04Å; H205-A208 PolarHBondContact O-N 3.08Å; A208-A211 PolarHBondContact O-N 3.33Å; A208-G212 PolarHBondContact O-N 2.85Å; A208-C265 HydrophobicContact CB-CB 4.02Å; A208-N284 HydrophobicContact CB-CB 4.03Å |
| 209 | I | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 172.8 | -66.7 | 165.6 | 0 | 0 | 0 | 110.7 | H205 V206 V207 A211 G212 V213 N284 V287 G288 L291 G314 V315 V340 | H205-I209 WeakPolarHBondContact O-CG1 3.26Å; H205-I209 PolarHBondContact O-N 3.49Å; V206-I209 PolarHBondContact O-N 3.09Å; V207-I209 VanDerWaalsContact C-N 3.31Å; V207-I209 PolarHBondContact O-N 3.38Å; I209-A211 VanDerWaalsContact C-N 3.32Å; I209-A211 PolarHBondContact O-N 3.31Å; I209-G212 CarbonylContact O-C 3.59Å; I209-G212 WeakPolarHBondContact O-CA 3.46Å; I209-G212 PolarHBondContact O-N 2.92Å; I209-G212 VanDerWaalsContact O-N 3.12Å; I209-V213 WeakPolarHBondContact O-CG2 3.34Å; I209-V213 PolarHBondContact O-N 3.07Å; I209-N284 WeakPolarHBondContact CA-O 3.45Å; I209-N284 HydrophobicContact CG1-CB 4.14Å; I209-N284 VanDerWaalsContact CG1-O 3.26Å; I209-N284 WeakPolarHBondContact CG1-O 3.14Å; I209-V287 HydrophobicContact CD1-CG1 4.47Å; I209-V287 HydrophobicContact CG1-CB 4.39Å; I209-V287 HydrophobicContact CG1-CG1 4.34Å; I209-G288 WeakPolarHBondContact O-CA 3.09Å; I209-L291 HydrophobicContact CG2-CD1 4.18Å; I209-G314 VanDerWaalsContact CD1-C 3.43Å; I209-V315 HydrophobicContact CD1-CG2 3.98Å; I209-V340 HydrophobicContact CB-CG1 3.96Å; I209-V340 HydrophobicContact CD1-CG1 4.47Å; I209-V340 HydrophobicContact CG2-CG1 3.7Å |
| 210 | A | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V206 V207 G212 V213 C214 V227 L336 V340 L353 | V206-A210 PolarHBondContact O-N 3.13Å; V207-A210 WeakPolarHBondContact O-CB 3.44Å; V207-A210 PolarHBondContact O-N 2.93Å; V207-A210 VanDerWaalsContact O-N 3.15Å; A210-G212 VanDerWaalsContact C-N 3.27Å; A210-G212 PolarHBondContact O-N 2.87Å; A210-V213 WeakPolarHBondContact O-CB 3.39Å; A210-V213 PolarHBondContact O-N 3.36Å; A210-V213 VanDerWaalsContact O-N 3.12Å; A210-C214 PolarHBondContact O-N 3.38Å; A210-C214 PolarHBondContact O-SG 3.02Å; A210-V227 HydrophobicContact CB-CG1 3.66Å; A210-L336 HydrophobicContact CB-CD1 3.59Å; A210-L336 HydrophobicContact CB-CG 4.43Å; A210-V340 HydrophobicContact CB-CG2 3.62Å; A210-L353 HydrophobicContact CB-CD2 4.32Å |
| 211 | A | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V207 A208 I209 C214 G215 K224 V227 M266 | V207-A211 PolarHBondContact O-N 2.84Å; A208-A211 PolarHBondContact O-N 3.33Å; I209-A211 VanDerWaalsContact C-N 3.32Å; I209-A211 PolarHBondContact O-N 3.31Å; A211-C214 WeakPolarHBondContact O-CB 3.28Å; A211-C214 PolarHBondContact O-N 2.83Å; A211-G215 PolarHBondContact O-N 3.02Å; A211-K224 HydrophobicContact CB-CG 4.44Å; A211-V227 HydrophobicContact CB-CG1 4.31Å; A211-M266 HydrophobicContact CB-CB 4.32Å; A211-M266 HydrophobicContact CB-CE 3.64Å; A211-M266 HydrophobicContact CB-CG 3.61Å; A211-M266 HydrophobicContact CB-SD 3.97Å |
| 212 | G | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A208 I209 A210 C214 G215 G216 I285 G288 H289 | A208-G212 PolarHBondContact O-N 2.85Å; I209-G212 CarbonylContact O-C 3.59Å; I209-G212 WeakPolarHBondContact O-CA 3.46Å; I209-G212 PolarHBondContact O-N 2.92Å; I209-G212 VanDerWaalsContact O-N 3.12Å; A210-G212 VanDerWaalsContact C-N 3.27Å; A210-G212 PolarHBondContact O-N 2.87Å; G212-C214 VanDerWaalsContact C-N 3.28Å; G212-C214 PolarHBondContact O-N 2.91Å; G212-G215 PolarHBondContact O-N 3.2Å; G212-G215 VanDerWaalsContact O-N 3.14Å; G212-G216 PolarHBondContact O-N 3.44Å; G212-I285 WeakPolarHBondContact CA-O 3.41Å; G212-G288 CarbonylContact O-C 3.46Å; G212-H289 WeakPolarHBondContact O-CA 3.42Å; G212-H289 PolarHBondContact O-CD2 3.05Å; G212-H289 PolarHBondContact O-N 3.14Å |
| 213 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -45.2 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | I209 A210 G215 G216 L217 S292 I343 P350 L353 | I209-V213 WeakPolarHBondContact O-CG2 3.34Å; I209-V213 PolarHBondContact O-N 3.07Å; A210-V213 WeakPolarHBondContact O-CB 3.39Å; A210-V213 PolarHBondContact O-N 3.36Å; A210-V213 VanDerWaalsContact O-N 3.12Å; V213-G215 PolarHBondContact O-N 3.22Å; V213-G216 PolarHBondContact O-N 3.31Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 HydrophobicContact CG1-CG 4.48Å; V213-L217 WeakPolarHBondContact O-CB 3.5Å; V213-L217 WeakPolarHBondContact O-CG 3.27Å; V213-L217 PolarHBondContact O-N 3.43Å; V213-S292 VanDerWaalsContact CA-OG 3.26Å; V213-S292 WeakPolarHBondContact CA-OG 3.47Å; V213-S292 PolarHBondContact O-OG 3.14Å; V213-I343 HydrophobicContact CG2-CG2 4.41Å; V213-P350 HydrophobicContact CG1-CB 3.98Å; V213-L353 HydrophobicContact CB-CD2 3.78Å; V213-L353 HydrophobicContact CG1-CB 4.26Å; V213-L353 HydrophobicContact CG1-CD2 3.53Å |
| 214 | C | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | A210 A211 G212 L217 K218 L219 V227 | A210-C214 PolarHBondContact O-N 3.38Å; A210-C214 PolarHBondContact O-SG 3.02Å; A211-C214 WeakPolarHBondContact O-CB 3.28Å; A211-C214 PolarHBondContact O-N 2.83Å; G212-C214 VanDerWaalsContact C-N 3.28Å; G212-C214 PolarHBondContact O-N 2.91Å; C214-L217 PolarHBondContact O-N 3.49Å; C214-K218 PolarHBondContact O-N 3.21Å; C214-K218 VanDerWaalsContact O-N 3.16Å; C214-L219 HydrophobicContact CB-CB 4.26Å; C214-L219 HydrophobicContact CB-CD1 4.33Å; C214-L219 PolarHBondContact O-N 3.45Å; C214-V227 VanDerWaalsContact SG-CG2 3.55Å |
| 215 | G | 93.2 | Very high | 94.8 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A211 G212 V213 L217 K218 | A211-G215 PolarHBondContact O-N 3.02Å; G212-G215 PolarHBondContact O-N 3.2Å; G212-G215 VanDerWaalsContact O-N 3.14Å; V213-G215 PolarHBondContact O-N 3.22Å; G215-L217 VanDerWaalsContact C-N 3.33Å; G215-L217 PolarHBondContact O-N 3.24Å; G215-K218 PolarHBondContact O-N 3.46Å |
| 216 | G | 92.6 | Very high | 95 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.6 | -32.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | G212 V213 K218 | G212-G216 PolarHBondContact O-N 3.44Å; V213-G216 PolarHBondContact O-N 3.31Å; G216-K218 VanDerWaalsContact C-N 3.26Å; G216-K218 PolarHBondContact O-N 2.94Å |
| 217 | L | 94.4 | Very high | 95.1 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.4 | 172.7 | -69.6 | 177.4 | 0 | 0 | 0 | 113.7 | V213 C214 G215 L219 P350 Q351 | V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 HydrophobicContact CG1-CG 4.48Å; V213-L217 WeakPolarHBondContact O-CB 3.5Å; V213-L217 WeakPolarHBondContact O-CG 3.27Å; V213-L217 PolarHBondContact O-N 3.43Å; C214-L217 PolarHBondContact O-N 3.49Å; G215-L217 VanDerWaalsContact C-N 3.33Å; G215-L217 PolarHBondContact O-N 3.24Å; L217-L219 HydrophobicContact CB-CD1 4.16Å; L217-L219 HydrophobicContact CB-CD2 4.31Å; L217-L219 HydrophobicContact CB-CG 3.79Å; L217-L219 HydrophobicContact CD1-CD1 4.11Å; L217-L219 PolarHBondContact O-N 3.38Å; L217-P350 HydrophobicContact CD1-CB 4.17Å; L217-P350 WeakPolarHBondContact CD1-O 3.45Å; L217-P350 HydrophobicContact CD2-CB 4.31Å; L217-P350 HydrophobicContact CG-CB 4.44Å; L217-Q351 HydrophobicContact CD1-CG 4.5Å; L217-Q351 HydrophobicContact CD2-CG 4.04Å |
| 218 | K | 93.5 | Very high | 95.1 | Very high | 190 Ų | 190 | 41.1 Ų | 41.1 | 83% | 0.826 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 36.8 | -174.5 | -54.8 | -177.2 | 179.5 | -178.2 | 0 | 112.9 | C214 G215 G216 | C214-K218 PolarHBondContact O-N 3.21Å; C214-K218 VanDerWaalsContact O-N 3.16Å; G215-K218 PolarHBondContact O-N 3.46Å; G216-K218 VanDerWaalsContact C-N 3.26Å; G216-K218 PolarHBondContact O-N 2.94Å |
| 219 | L | 93.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | trans | -72.1 | 141 | 171.7 | -56.4 | 177.8 | 0 | 0 | 0 | 108.8 | C214 L217 T223 L354 | C214-L219 HydrophobicContact CB-CB 4.26Å; C214-L219 HydrophobicContact CB-CD1 4.33Å; C214-L219 PolarHBondContact O-N 3.45Å; L217-L219 HydrophobicContact CB-CD1 4.16Å; L217-L219 HydrophobicContact CB-CD2 4.31Å; L217-L219 HydrophobicContact CB-CG 3.79Å; L217-L219 HydrophobicContact CD1-CD1 4.11Å; L217-L219 PolarHBondContact O-N 3.38Å; L219-T223 HydrophobicContact CB-CG2 4.08Å; L219-T223 HydrophobicContact CD1-CG2 3.9Å; L219-L354 HydrophobicContact CD1-CD1 4.4Å; L219-L354 HydrophobicContact CD1-CD2 3.98Å; L219-L354 HydrophobicContact CD1-CG 4.1Å; L219-L354 HydrophobicContact CD2-CD1 4.25Å | ||
| 220 | G | 92.6 | Very high | 95.2 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 49% | 0.485 | 26% | 0.262 | S | S | . | . | trans | -69.2 | 169.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N222 T223 K224 | G220-N222 PolarHBondContact O-N 2.95Å; G220-N222 VanDerWaalsContact O-N 3.12Å; G220-T223 WeakPolarHBondContact O-CB 3.42Å; G220-T223 PolarHBondContact O-N 2.99Å; G220-K224 PolarHBondContact O-N 3.12Å | ||
| 221 | D | 93.2 | Very high | 95.2 | Very high | 127 Ų | 127 | 46.4 Ų | 46.4 | 68% | 0.679 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56.1 | -33.2 | -175.7 | -65.5 | -30.7 | 0 | 0 | 0 | 113.1 | T223 K224 S225 | D221-T223 VanDerWaalsContact C-N 3.26Å; D221-T223 PolarHBondContact O-N 2.65Å; D221-K224 PolarHBondContact O-N 3.23Å; D221-S225 WeakPolarHBondContact O-CB 3.49Å; D221-S225 PolarHBondContact O-N 3.32Å; D221-S225 PolarHBondContact O-OG 2.87Å |
| 222 | N | 96 | Very high | 95.2 | Very high | 147 Ų | 147 | 47.2 Ų | 47.2 | 79% | 0.786 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -56.4 | -39.9 | 174.3 | -68.8 | -8.6 | 0 | 0 | 0 | 112.5 | G220 A226 | G220-N222 PolarHBondContact O-N 2.95Å; G220-N222 VanDerWaalsContact O-N 3.12Å; N222-A226 WeakPolarHBondContact O-CB 3.37Å; N222-A226 PolarHBondContact O-N 3.12Å |
| 223 | T | 96.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 20% | 0.202 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.2 | -42.6 | 179.6 | -53 | 0 | 0 | 0 | 0 | 110.8 | L219 G220 D221 S225 A226 V227 L354 L357 | L219-T223 HydrophobicContact CB-CG2 4.08Å; L219-T223 HydrophobicContact CD1-CG2 3.9Å; G220-T223 WeakPolarHBondContact O-CB 3.42Å; G220-T223 PolarHBondContact O-N 2.99Å; D221-T223 VanDerWaalsContact C-N 3.26Å; D221-T223 PolarHBondContact O-N 2.65Å; T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact O-N 3.15Å; T223-A226 WeakPolarHBondContact O-CB 3.14Å; T223-A226 PolarHBondContact O-N 2.59Å; T223-A226 VanDerWaalsContact O-N 3.15Å; T223-V227 PolarHBondContact O-N 2.86Å; T223-L354 HydrophobicContact CG2-CD2 3.8Å; T223-L357 HydrophobicContact CG2-CD1 4.04Å |
| 224 | K | 94.5 | Very high | 95.3 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 18% | 0.183 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 177.9 | -161.7 | 175.7 | -172.4 | 178.4 | 0 | 111.6 | A211 G220 D221 V227 L228 M266 | A211-K224 HydrophobicContact CB-CG 4.44Å; G220-K224 PolarHBondContact O-N 3.12Å; D221-K224 PolarHBondContact O-N 3.23Å; K224-V227 WeakPolarHBondContact O-CB 3.37Å; K224-V227 PolarHBondContact O-N 3.32Å; K224-L228 PolarHBondContact O-N 3.02Å; K224-M266 WeakPolarHBondContact CE-O 3.23Å; K224-M266 HydrophobicContact CG-CE 3.83Å; K224-M266 PolarHBondContact NZ-O 3.48Å; K224-M266 VanDerWaalsContact O-CE 3.32Å; K224-M266 WeakPolarHBondContact O-CE 3.47Å |
| 225 | S | 95.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 49.7 Ų | 49.7 | 51% | 0.51 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 172.6 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | D221 T223 L228 R229 | D221-S225 WeakPolarHBondContact O-CB 3.49Å; D221-S225 PolarHBondContact O-N 3.32Å; D221-S225 PolarHBondContact O-OG 2.87Å; T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact O-N 3.15Å; S225-L228 WeakPolarHBondContact O-CB 3.4Å; S225-L228 PolarHBondContact O-N 3.41Å; S225-R229 PolarHBondContact O-N 2.77Å; S225-R229 VanDerWaalsContact O-N 3.09Å |
| 226 | A | 97.1 | Very high | 95.4 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N222 T223 L228 R229 I230 | N222-A226 WeakPolarHBondContact O-CB 3.37Å; N222-A226 PolarHBondContact O-N 3.12Å; T223-A226 WeakPolarHBondContact O-CB 3.14Å; T223-A226 PolarHBondContact O-N 2.59Å; T223-A226 VanDerWaalsContact O-N 3.15Å; A226-L228 VanDerWaalsContact C-N 3.35Å; A226-L228 PolarHBondContact O-N 3.08Å; A226-R229 PolarHBondContact O-N 2.88Å; A226-I230 VanDerWaalsContact O-CB 3.32Å; A226-I230 WeakPolarHBondContact O-CB 3.41Å; A226-I230 WeakPolarHBondContact O-CG1 3.35Å; A226-I230 PolarHBondContact O-N 3.31Å |
| 227 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 172.8 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | V207 A210 A211 C214 T223 K224 G231 M266 L357 | V207-V227 HydrophobicContact CG1-CG1 3.95Å; A210-V227 HydrophobicContact CB-CG1 3.66Å; A211-V227 HydrophobicContact CB-CG1 4.31Å; C214-V227 VanDerWaalsContact SG-CG2 3.55Å; T223-V227 PolarHBondContact O-N 2.86Å; K224-V227 WeakPolarHBondContact O-CB 3.37Å; K224-V227 PolarHBondContact O-N 3.32Å; V227-G231 WeakPolarHBondContact O-CA 3.21Å; V227-G231 PolarHBondContact O-N 3.11Å; V227-M266 HydrophobicContact CG1-CE 4.48Å; V227-L357 HydrophobicContact CG2-CD1 3.77Å; V227-L357 HydrophobicContact CG2-CD2 3.97Å |
| 228 | L | 95.9 | Very high | 95.5 | Very high | 39 Ų | 39 | 48 Ų | 48 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -54.2 | 177.5 | -179.2 | 67.6 | 0 | 0 | 0 | 110.9 | K224 S225 A226 G231 F232 L262 M266 | K224-L228 PolarHBondContact O-N 3.02Å; S225-L228 WeakPolarHBondContact O-CB 3.4Å; S225-L228 PolarHBondContact O-N 3.41Å; A226-L228 VanDerWaalsContact C-N 3.35Å; A226-L228 PolarHBondContact O-N 3.08Å; L228-G231 PolarHBondContact O-N 3.13Å; L228-F232 HydrophobicContact CD1-CD2 4.4Å; L228-F232 HydrophobicContact CD1-CE1 4.37Å; L228-F232 HydrophobicContact CD1-CE2 3.59Å; L228-F232 HydrophobicContact CD1-CZ 3.55Å; L228-F232 HydrophobicContact CD2-CE2 4.19Å; L228-F232 HydrophobicContact CG-CD2 4.2Å; L228-F232 HydrophobicContact CG-CE2 3.59Å; L228-F232 HydrophobicContact CG-CZ 4.11Å; L228-F232 WeakPolarHBondContact O-CD2 2.83Å; L228-F232 PolarHBondContact O-N 2.93Å; L228-L262 HydrophobicContact CD1-CB 4.48Å; L228-L262 HydrophobicContact CD1-CD2 3.65Å; L228-L262 HydrophobicContact CD1-CG 3.76Å; L228-M266 HydrophobicContact CB-CE 3.65Å; L228-M266 HydrophobicContact CB-SD 3.96Å; L228-M266 HydrophobicContact CD1-CE 4.19Å; L228-M266 HydrophobicContact CD1-SD 3.44Å; L228-M266 WeakPolarHBondContact CD1-SD 3.5Å; L228-M266 HydrophobicContact CG-CE 4.46Å; L228-M266 HydrophobicContact CG-SD 4.29Å |
| 229 | R | 96.2 | Very high | 95.6 | Very high | 112 Ų | 112 | 39.2 Ų | 39.2 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.9 | -45.4 | -176.8 | -171.4 | -164.5 | 69.8 | 85.2 | 4.8 | 112.4 | S225 A226 G231 F232 W233 I362 | S225-R229 PolarHBondContact O-N 2.77Å; S225-R229 VanDerWaalsContact O-N 3.09Å; A226-R229 PolarHBondContact O-N 2.88Å; R229-G231 VanDerWaalsContact C-N 3.33Å; R229-F232 PolarHBondContact O-N 3.29Å; R229-W233 PolarHBondContact O-N 3.27Å; R229-I362 VanDerWaalsContact NH2-CG2 3.34Å |
| 230 | I | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | 177.3 | -70.6 | 168.3 | 0 | 0 | 0 | 110.3 | A226 F232 W233 E234 L336 L357 H360 I362 | A226-I230 VanDerWaalsContact O-CB 3.32Å; A226-I230 WeakPolarHBondContact O-CB 3.41Å; A226-I230 WeakPolarHBondContact O-CG1 3.35Å; A226-I230 PolarHBondContact O-N 3.31Å; I230-F232 PolarHBondContact O-N 3.41Å; I230-W233 WeakPolarHBondContact O-CB 3.28Å; I230-W233 PolarHBondContact O-N 2.91Å; I230-W233 VanDerWaalsContact O-N 3.16Å; I230-E234 HydrophobicContact CG2-CG 4.42Å; I230-E234 PolarHBondContact O-N 2.6Å; I230-L336 HydrophobicContact CB-CD2 4.37Å; I230-L336 HydrophobicContact CG2-CB 4.02Å; I230-L336 HydrophobicContact CG2-CD2 3.86Å; I230-L357 HydrophobicContact CD1-CB 4.35Å; I230-L357 HydrophobicContact CD1-CD2 3.72Å; I230-L357 HydrophobicContact CG2-CD2 4.48Å; I230-H360 HydrophobicContact CD1-CB 4.37Å; I230-H360 WeakPolarHBondContact CG2-CD2 3.39Å; I230-I362 HydrophobicContact CG1-CG2 4.47Å |
| 231 | G | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V227 L228 R229 W233 E234 M235 | V227-G231 WeakPolarHBondContact O-CA 3.21Å; V227-G231 PolarHBondContact O-N 3.11Å; L228-G231 PolarHBondContact O-N 3.13Å; R229-G231 VanDerWaalsContact C-N 3.33Å; G231-W233 VanDerWaalsContact C-N 3.31Å; G231-W233 PolarHBondContact O-N 2.95Å; G231-E234 PolarHBondContact O-N 3.3Å; G231-M235 VanDerWaalsContact O-CB 3.32Å; G231-M235 WeakPolarHBondContact O-CB 3.16Å; G231-M235 WeakPolarHBondContact O-CG 3.5Å; G231-M235 PolarHBondContact O-N 2.95Å |
| 232 | F | 96.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 173.5 | -69.8 | -42 | 0 | 0 | 0 | 112.3 | L228 R229 I230 M235 S236 W250 I253 M259 L262 | L228-F232 HydrophobicContact CD1-CD2 4.4Å; L228-F232 HydrophobicContact CD1-CE1 4.37Å; L228-F232 HydrophobicContact CD1-CE2 3.59Å; L228-F232 HydrophobicContact CD1-CZ 3.55Å; L228-F232 HydrophobicContact CD2-CE2 4.19Å; L228-F232 HydrophobicContact CG-CD2 4.2Å; L228-F232 HydrophobicContact CG-CE2 3.59Å; L228-F232 HydrophobicContact CG-CZ 4.11Å; L228-F232 WeakPolarHBondContact O-CD2 2.83Å; L228-F232 PolarHBondContact O-N 2.93Å; R229-F232 PolarHBondContact O-N 3.29Å; I230-F232 PolarHBondContact O-N 3.41Å; F232-M235 HydrophobicContact CD1-SD 4.38Å; F232-M235 WeakPolarHBondContact O-CB 3.47Å; F232-M235 PolarHBondContact O-N 3.39Å; F232-S236 PolarHBondContact O-N 3.48Å; F232-W250 HydrophobicContact CB-CH2 3.67Å; F232-W250 HydrophobicContact CB-CZ2 4.44Å; F232-W250 HydrophobicContact CB-CZ3 4.35Å; F232-W250 VanDerWaalsContact O-CZ3 3.28Å; F232-W250 WeakPolarHBondContact O-CZ3 3.43Å; F232-I253 HydrophobicContact CB-CG2 3.99Å; F232-I253 HydrophobicContact CD1-CG2 3.39Å; F232-I253 HydrophobicContact CE1-CG2 4.02Å; F232-I253 HydrophobicContact CG-CG2 3.84Å; F232-M259 HydrophobicContact CE2-CG 4.39Å; F232-M259 HydrophobicContact CZ-CB 4.14Å; F232-M259 HydrophobicContact CZ-CG 4.01Å; F232-L262 HydrophobicContact CD1-CD2 3.87Å; F232-L262 HydrophobicContact CE1-CB 3.96Å; F232-L262 HydrophobicContact CE1-CD2 3.47Å; F232-L262 VanDerWaalsContact CE1-CD2 3.47Å; F232-L262 HydrophobicContact CE1-CG 4.28Å; F232-L262 HydrophobicContact CZ-CB 4.29Å; F232-L262 HydrophobicContact CZ-CD2 3.95Å |
| 233 | W | 96.3 | Very high | 95.2 | Very high | 52 Ų | 52 | 29.9 Ų | 29.9 | 20% | 0.197 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -50.8 | 177.7 | -171.6 | 90.3 | 0 | 0 | 0 | 112.1 | R229 I230 G231 M235 S236 E237 H333 H360 I362 | R229-W233 PolarHBondContact O-N 3.27Å; I230-W233 WeakPolarHBondContact O-CB 3.28Å; I230-W233 PolarHBondContact O-N 2.91Å; I230-W233 VanDerWaalsContact O-N 3.16Å; G231-W233 VanDerWaalsContact C-N 3.31Å; G231-W233 PolarHBondContact O-N 2.95Å; W233-M235 VanDerWaalsContact C-N 3.31Å; W233-M235 PolarHBondContact O-N 3.1Å; W233-S236 WeakPolarHBondContact O-CB 3.49Å; W233-S236 PolarHBondContact O-N 3.19Å; W233-E237 HydrophobicContact CD2-CG 3.99Å; W233-E237 HydrophobicContact CE3-CG 4.06Å; W233-E237 HydrophobicContact CH2-CG 3.82Å; W233-E237 HydrophobicContact CZ2-CG 3.72Å; W233-E237 HydrophobicContact CZ3-CB 4.41Å; W233-E237 HydrophobicContact CZ3-CG 3.97Å; W233-E237 PolarHBondContact O-N 3.39Å; W233-H333 AromaticContact CH2-CD2 3.95Å; W233-H333 AromaticContact CH2-CE1 3.72Å; W233-H333 AromaticContact CH2-NE2 3.46Å; W233-H333 WeakPolarHBondContact CH2-NE2 3.18Å; W233-H360 AromaticContact CD2-CE1 3.89Å; W233-H360 AromaticContact CE3-CE1 3.26Å; W233-H360 AromaticContact CE3-NE2 3.49Å; W233-H360 AromaticContact CZ3-CE1 3.37Å; W233-H360 WeakPolarHBondContact CZ3-CE1 3.18Å; W233-H360 AromaticContact CZ3-NE2 3.59Å; W233-I362 HydrophobicContact CB-CD1 3.99Å; W233-I362 VanDerWaalsContact CD1-CD1 3.43Å; W233-I362 HydrophobicContact CD2-CD1 4.14Å; W233-I362 HydrophobicContact CG-CD1 3.56Å |
| 234 | E | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -34.6 | 178.5 | -74.6 | -164.3 | -168 | 0 | 0 | 112.1 | I230 G231 L238 F334 P335 L336 F337 H360 | I230-E234 HydrophobicContact CG2-CG 4.42Å; I230-E234 PolarHBondContact O-N 2.6Å; G231-E234 PolarHBondContact O-N 3.3Å; E234-L238 WeakPolarHBondContact O-CB 3.41Å; E234-L238 PolarHBondContact O-N 3.38Å; E234-F334 HydrophobicContact CB-CD1 3.94Å; E234-F334 VanDerWaalsContact CD-CA 3.48Å; E234-F334 HydrophobicContact CG-CD1 3.98Å; E234-F334 WeakPolarHBondContact O-CE1 3.35Å; E234-F334 WeakPolarHBondContact OE1-CA 3.47Å; E234-P335 WeakPolarHBondContact OE1-CD 3.41Å; E234-P335 VanDerWaalsContact OE1-N 3.12Å; E234-L336 VanDerWaalsContact CD-CB 3.49Å; E234-L336 WeakPolarHBondContact OE1-CB 3.38Å; E234-L336 PolarHBondContact OE1-N 3.3Å; E234-L336 WeakPolarHBondContact OE2-CB 3.22Å; E234-F337 HydrophobicContact CB-CD1 4.46Å; E234-F337 HydrophobicContact CB-CD2 4.03Å; E234-F337 HydrophobicContact CB-CE1 4.07Å; E234-F337 HydrophobicContact CB-CE2 3.61Å; E234-F337 HydrophobicContact CB-CG 4.44Å; E234-F337 HydrophobicContact CB-CZ 3.63Å; E234-F337 WeakPolarHBondContact O-CE2 3.3Å; E234-F337 WeakPolarHBondContact OE2-CB 3.35Å; E234-F337 WeakPolarHBondContact OE2-CD1 3.4Å; E234-F337 WeakPolarHBondContact OE2-CD2 3.08Å; E234-F337 WeakPolarHBondContact OE2-CG 3.33Å; E234-F337 PolarHBondContact OE2-N 3.35Å; E234-H360 IonicContact OE1-CD2 3.94Å; E234-H360 PolarHBondContact OE1-CD2 2.95Å; E234-H360 VanDerWaalsContact OE1-CD2 3.24Å; E234-H360 IonicContact OE1-NE2 3.08Å; E234-H360 PolarHBondContact OE1-NE2 2.77Å |
| 235 | M | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -51.7 | 172 | -77.1 | 173.4 | 70.1 | 0 | 0 | 111 | C200 I203 K204 V207 G231 F232 W233 L238 M239 I253 L262 F337 | C200-M235 HydrophobicContact CB-CE 4.26Å; I203-M235 HydrophobicContact CB-CE 4.38Å; I203-M235 HydrophobicContact CB-CG 4.1Å; I203-M235 HydrophobicContact CG2-CB 4.47Å; I203-M235 HydrophobicContact CG2-CG 3.56Å; K204-M235 HydrophobicContact CB-CE 4.42Å; V207-M235 HydrophobicContact CG2-CG 4.38Å; V207-M235 HydrophobicContact CG2-SD 4.09Å; G231-M235 VanDerWaalsContact O-CB 3.32Å; G231-M235 WeakPolarHBondContact O-CB 3.16Å; G231-M235 WeakPolarHBondContact O-CG 3.5Å; G231-M235 PolarHBondContact O-N 2.95Å; F232-M235 HydrophobicContact CD1-SD 4.38Å; F232-M235 WeakPolarHBondContact O-CB 3.47Å; F232-M235 PolarHBondContact O-N 3.39Å; W233-M235 VanDerWaalsContact C-N 3.31Å; W233-M235 PolarHBondContact O-N 3.1Å; M235-L238 PolarHBondContact O-N 2.99Å; M235-M239 HydrophobicContact CB-CE 4Å; M235-M239 HydrophobicContact CE-CE 4Å; M235-M239 WeakPolarHBondContact O-CG 3.48Å; M235-M239 PolarHBondContact O-N 3.26Å; M235-I253 HydrophobicContact CB-CD1 4.39Å; M235-L262 HydrophobicContact SD-CD2 4.25Å; M235-F337 HydrophobicContact CG-CZ 3.89Å |
| 236 | S | 95.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.7 | -51.8 | 177.7 | 165.8 | 0 | 0 | 0 | 0 | 112.7 | F232 W233 L238 M239 K240 W250 I253 | F232-S236 PolarHBondContact O-N 3.48Å; W233-S236 WeakPolarHBondContact O-CB 3.49Å; W233-S236 PolarHBondContact O-N 3.19Å; S236-L238 VanDerWaalsContact C-N 3.26Å; S236-L238 PolarHBondContact O-N 3.39Å; S236-M239 PolarHBondContact O-N 2.94Å; S236-K240 WeakPolarHBondContact O-CG 3.36Å; S236-K240 PolarHBondContact O-N 3.25Å; S236-K240 WeakPolarHBondContact OG-CE 3.46Å; S236-K240 PolarHBondContact OG-NZ 3.3Å; S236-W250 VanDerWaalsContact CB-CZ3 3.43Å; S236-I253 VanDerWaalsContact CB-CD1 3.48Å |
| 237 | E | 95.4 | Very high | 94.3 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -35.5 | -176.5 | -66.7 | -55.8 | 101.9 | 0 | 0 | 111 | W233 K240 E241 F334 | W233-E237 HydrophobicContact CD2-CG 3.99Å; W233-E237 HydrophobicContact CE3-CG 4.06Å; W233-E237 HydrophobicContact CH2-CG 3.82Å; W233-E237 HydrophobicContact CZ2-CG 3.72Å; W233-E237 HydrophobicContact CZ3-CB 4.41Å; W233-E237 HydrophobicContact CZ3-CG 3.97Å; W233-E237 PolarHBondContact O-N 3.39Å; E237-K240 IonicContact OE1-NZ 2.79Å; E237-K240 PolarHBondContact OE1-NZ 3.43Å; E237-E241 VanDerWaalsContact O-CB 3.3Å; E237-E241 WeakPolarHBondContact O-CB 3.38Å; E237-E241 PolarHBondContact O-N 3.04Å; E237-F334 HydrophobicContact CB-CE1 3.76Å; E237-F334 HydrophobicContact CB-CZ 3.96Å |
| 238 | L | 94.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -41 | 174.9 | -177.4 | 62.9 | 0 | 0 | 0 | 111.6 | I203 E234 M235 S236 E241 L242 I321 L325 F334 F337 | I203-L238 HydrophobicContact CD1-CD2 3.97Å; I203-L238 HydrophobicContact CD1-CG 4.42Å; I203-L238 HydrophobicContact CG1-CD2 4.37Å; I203-L238 HydrophobicContact CG2-CD2 4.31Å; E234-L238 WeakPolarHBondContact O-CB 3.41Å; E234-L238 PolarHBondContact O-N 3.38Å; M235-L238 PolarHBondContact O-N 2.99Å; S236-L238 VanDerWaalsContact C-N 3.26Å; S236-L238 PolarHBondContact O-N 3.39Å; L238-E241 PolarHBondContact O-N 2.96Å; L238-L242 HydrophobicContact CD1-CD1 3.95Å; L238-L242 HydrophobicContact CD1-CD2 4.48Å; L238-L242 HydrophobicContact CD1-CG 3.93Å; L238-L242 HydrophobicContact CD2-CD1 4.39Å; L238-L242 HydrophobicContact CG-CD1 3.78Å; L238-L242 HydrophobicContact CG-CG 4.19Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 VanDerWaalsContact O-CG 3.23Å; L238-L242 WeakPolarHBondContact O-CG 3.31Å; L238-L242 PolarHBondContact O-N 3.29Å; L238-I321 HydrophobicContact CD2-CB 4.49Å; L238-I321 HydrophobicContact CD2-CD1 3.72Å; L238-I321 HydrophobicContact CD2-CG1 3.87Å; L238-I321 HydrophobicContact CD2-CG2 3.82Å; L238-L325 HydrophobicContact CD1-CD2 4.2Å; L238-F334 HydrophobicContact CB-CE1 3.84Å; L238-F334 HydrophobicContact CB-CZ 4.41Å; L238-F337 HydrophobicContact CB-CE2 4.15Å; L238-F337 HydrophobicContact CD2-CD2 4.02Å; L238-F337 HydrophobicContact CD2-CE2 3.68Å |
| 239 | M | 93.7 | Very high | 94 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 176.3 | -70.2 | 166.8 | -167.9 | 0 | 0 | 111.1 | L199 C200 I203 M235 S236 E241 L242 F243 T248 I253 | L199-M239 HydrophobicContact CB-CE 3.83Å; L199-M239 HydrophobicContact CB-CG 3.79Å; L199-M239 HydrophobicContact CB-SD 4.25Å; L199-M239 HydrophobicContact CD1-CB 4.02Å; L199-M239 HydrophobicContact CD1-CG 3.63Å; L199-M239 HydrophobicContact CG-CG 4.33Å; C200-M239 HydrophobicContact CB-CE 4.34Å; C200-M239 VanDerWaalsContact SG-CE 3.54Å; I203-M239 HydrophobicContact CD1-CE 4.03Å; I203-M239 HydrophobicContact CD1-CG 4.08Å; M235-M239 HydrophobicContact CB-CE 4Å; M235-M239 HydrophobicContact CE-CE 4Å; M235-M239 WeakPolarHBondContact O-CG 3.48Å; M235-M239 PolarHBondContact O-N 3.26Å; S236-M239 PolarHBondContact O-N 2.94Å; M239-E241 VanDerWaalsContact C-N 3.32Å; M239-E241 PolarHBondContact O-N 3.02Å; M239-L242 PolarHBondContact O-N 3.34Å; M239-F243 PolarHBondContact O-N 2.78Å; M239-T248 HydrophobicContact CB-CG2 4.15Å; M239-I253 HydrophobicContact CE-CG1 4.45Å; M239-I253 HydrophobicContact SD-CD1 4.23Å; M239-I253 HydrophobicContact SD-CG1 4.32Å |
| 240 | K | 93.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 36% | 0.361 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 176.3 | -66.9 | 173.7 | -166.2 | 162.7 | 0 | 112 | S236 E237 F243 P244 | S236-K240 WeakPolarHBondContact O-CG 3.36Å; S236-K240 PolarHBondContact O-N 3.25Å; S236-K240 WeakPolarHBondContact OG-CE 3.46Å; S236-K240 PolarHBondContact OG-NZ 3.3Å; E237-K240 IonicContact OE1-NZ 2.79Å; E237-K240 PolarHBondContact OE1-NZ 3.43Å; K240-F243 CarbonylContact O-C 3.52Å; K240-P244 WeakPolarHBondContact O-CA 3.35Å; K240-P244 WeakPolarHBondContact O-CB 3.46Å; K240-P244 WeakPolarHBondContact O-CD 3.49Å |
| 241 | E | 91.4 | Very high | 93.7 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.7 | -31.7 | -179.5 | -160.4 | -172.7 | 116 | 0 | 0 | 112.8 | E237 L238 M239 R328 R330 F334 | E237-E241 VanDerWaalsContact O-CB 3.3Å; E237-E241 WeakPolarHBondContact O-CB 3.38Å; E237-E241 PolarHBondContact O-N 3.04Å; L238-E241 PolarHBondContact O-N 2.96Å; M239-E241 VanDerWaalsContact C-N 3.32Å; M239-E241 PolarHBondContact O-N 3.02Å; E241-R328 PolarHBondContact O-NH1 2.97Å; E241-R328 WeakPolarHBondContact OE1-CD 3.37Å; E241-R328 IonicContact OE1-NH1 2.88Å; E241-R328 PolarHBondContact OE1-NH1 2.75Å; E241-R330 IonicContact OE2-CZ 3.67Å; E241-R330 IonicContact OE2-NE 2.72Å; E241-R330 PolarHBondContact OE2-NE 3.43Å; E241-R330 IonicContact OE2-NH2 3.68Å; E241-R330 PolarHBondContact OE2-NH2 2.76Å; E241-F334 WeakPolarHBondContact OE2-CE2 3.5Å |
| 242 | L | 90.4 | Very high | 93.6 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.1 | -34.6 | 176.1 | -71.4 | 174.3 | 0 | 0 | 0 | 111.9 | V129 L238 M239 I324 | V129-L242 HydrophobicContact CG2-CD2 4.34Å; L238-L242 HydrophobicContact CD1-CD1 3.95Å; L238-L242 HydrophobicContact CD1-CD2 4.48Å; L238-L242 HydrophobicContact CD1-CG 3.93Å; L238-L242 HydrophobicContact CD2-CD1 4.39Å; L238-L242 HydrophobicContact CG-CD1 3.78Å; L238-L242 HydrophobicContact CG-CG 4.19Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 VanDerWaalsContact O-CG 3.23Å; L238-L242 WeakPolarHBondContact O-CG 3.31Å; L238-L242 PolarHBondContact O-N 3.29Å; M239-L242 PolarHBondContact O-N 3.34Å; L242-I324 HydrophobicContact CD2-CD1 4.21Å; L242-I324 HydrophobicContact CD2-CG2 3.97Å |
| 243 | F | 91.7 | Very high | 93.5 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 10% | 0.101 | 24% | 0.235 | C | C | . | . | trans | -138.5 | 60.1 | -171.4 | -60.7 | -85.4 | 0 | 0 | 0 | 112.7 | L131 V195 L199 M239 K240 D245 R246 T248 | L131-F243 HydrophobicContact CD1-CE1 4.22Å; L131-F243 HydrophobicContact CD1-CZ 4.28Å; L131-F243 HydrophobicContact CD2-CE2 4.22Å; L131-F243 HydrophobicContact CD2-CZ 3.94Å; L131-F243 HydrophobicContact CG-CE1 4.12Å; L131-F243 HydrophobicContact CG-CZ 3.81Å; V195-F243 HydrophobicContact CG1-CB 3.81Å; V195-F243 HydrophobicContact CG1-CD1 4.2Å; V195-F243 HydrophobicContact CG1-CD2 3.64Å; V195-F243 HydrophobicContact CG1-CE2 4.23Å; V195-F243 HydrophobicContact CG1-CG 3.62Å; L199-F243 HydrophobicContact CD1-CD2 3.54Å; L199-F243 HydrophobicContact CD1-CE2 3.63Å; L199-F243 HydrophobicContact CD2-CE2 4.03Å; L199-F243 HydrophobicContact CG-CE2 4.31Å; M239-F243 PolarHBondContact O-N 2.78Å; K240-F243 CarbonylContact O-C 3.52Å; F243-D245 VanDerWaalsContact C-N 3.26Å; F243-D245 PolarHBondContact O-N 3.37Å; F243-D245 VanDerWaalsContact O-N 3.16Å; F243-R246 HydrophobicContact CB-CB 3.86Å; F243-R246 HydrophobicContact CB-CG 3.84Å; F243-R246 HydrophobicContact CD1-CG 4.12Å; F243-R246 HydrophobicContact CG-CG 4.44Å; F243-R246 PolarHBondContact O-N 3.41Å; F243-R246 VanDerWaalsContact O-N 3.14Å; F243-T248 HydrophobicContact CB-CG2 4.33Å | ||
| 244 | P | 91.2 | Very high | 93.4 | Very high | 89 Ų | 89 | 47.1 Ų | 47.1 | 58% | 0.578 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34 | -170.7 | 22.7 | -34.2 | 0 | 0 | 0 | 113.8 | K240 | K240-P244 WeakPolarHBondContact O-CA 3.35Å; K240-P244 WeakPolarHBondContact O-CB 3.46Å; K240-P244 WeakPolarHBondContact O-CD 3.49Å |
| 245 | D | 92.2 | Very high | 93.4 | Very high | 157 Ų | 157 | 49.2 Ų | 49.2 | 84% | 0.84 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 19 | -175.4 | -51.7 | -54.6 | 0 | 0 | 0 | 113.1 | F243 | F243-D245 VanDerWaalsContact C-N 3.26Å; F243-D245 PolarHBondContact O-N 3.37Å; F243-D245 VanDerWaalsContact O-N 3.16Å |
| 246 | R | 92.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 50 Ų | 50 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 5.7 | -176 | -63.5 | -74.2 | -67.7 | -99.1 | -4.2 | 114.2 | D134 K169 V195 F243 | D134-R246 IonicContact OD1-CZ 3.33Å; D134-R246 IonicContact OD1-NH1 3.24Å; D134-R246 IonicContact OD1-NH2 2.84Å; D134-R246 PolarHBondContact OD1-NH2 2.86Å; D134-R246 IonicContact OD2-CZ 2.65Å; D134-R246 IonicContact OD2-NH1 3.13Å; D134-R246 PolarHBondContact OD2-NH1 3.03Å; D134-R246 IonicContact OD2-NH2 3.61Å; D134-R246 PolarHBondContact OD2-NH2 3.1Å; K169-R246 VanDerWaalsContact NZ-CZ 3.3Å; V195-R246 HydrophobicContact CB-CB 4.41Å; V195-R246 HydrophobicContact CG2-CB 3.76Å; V195-R246 HydrophobicContact CG2-CG 4.27Å; F243-R246 HydrophobicContact CB-CB 3.86Å; F243-R246 HydrophobicContact CB-CG 3.84Å; F243-R246 HydrophobicContact CD1-CG 4.12Å; F243-R246 HydrophobicContact CG-CG 4.44Å; F243-R246 PolarHBondContact O-N 3.41Å; F243-R246 VanDerWaalsContact O-N 3.14Å |
| 247 | G | 89.7 | Confident | 93.3 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 31.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D249 | G247-D249 PolarHBondContact O-N 3.22Š|
| 248 | T | 92.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 12% | 0.117 | 25% | 0.251 | C | S | . | . | trans | -64.5 | 123.1 | 174.6 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | D193 V195 M239 F243 | D193-T248 WeakPolarHBondContact OD1-CA 3.23Å; D193-T248 WeakPolarHBondContact OD2-CA 3.39Å; V195-T248 HydrophobicContact CB-CG2 3.93Å; V195-T248 HydrophobicContact CG1-CG2 3.54Å; M239-T248 HydrophobicContact CB-CG2 4.15Å; F243-T248 HydrophobicContact CB-CG2 4.33Å | ||
| 249 | D | 92.5 | Very high | 93.3 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | trans | -115.1 | 138.9 | -174.4 | -164.7 | -24.2 | 0 | 0 | 0 | 111.1 | D193 G247 L251 T252 | D193-D249 PolarHBondContact OD2-N 3.01Å; G247-D249 PolarHBondContact O-N 3.22Å; D249-L251 PolarHBondContact O-N 2.74Å; D249-L251 PolarHBondContact OD1-N 3.31Å; D249-T252 VanDerWaalsContact O-CB 3.31Å; D249-T252 WeakPolarHBondContact O-CB 3.38Å; D249-T252 PolarHBondContact O-N 3.45Å | ||
| 250 | W | 93.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.9 | -37.1 | 170.4 | 176.5 | -95.1 | 0 | 0 | 0 | 111.8 | F232 S236 T252 I253 E254 | F232-W250 HydrophobicContact CB-CH2 3.67Å; F232-W250 HydrophobicContact CB-CZ2 4.44Å; F232-W250 HydrophobicContact CB-CZ3 4.35Å; F232-W250 VanDerWaalsContact O-CZ3 3.28Å; F232-W250 WeakPolarHBondContact O-CZ3 3.43Å; S236-W250 VanDerWaalsContact CB-CZ3 3.43Å; W250-T252 PolarHBondContact O-N 3.06Å; W250-T252 VanDerWaalsContact O-N 3.12Å; W250-I253 HydrophobicContact CE3-CD1 3.93Å; W250-I253 HydrophobicContact CZ3-CD1 3.98Å; W250-I253 WeakPolarHBondContact O-CB 3.42Å; W250-I253 PolarHBondContact O-N 3.43Å; W250-E254 PolarHBondContact NE1-OE1 2.61Å; W250-E254 VanDerWaalsContact NE1-OE1 3.12Å |
| 251 | L | 95.1 | Very high | 93.2 | Very high | 95 Ų | 95 | 49.5 Ų | 49.5 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.8 | -20.8 | 179.2 | -66.2 | 172.2 | 0 | 0 | 0 | 112.9 | D249 E254 Q255 | D249-L251 PolarHBondContact O-N 2.74Å; D249-L251 PolarHBondContact OD1-N 3.31Å; L251-E254 PolarHBondContact O-N 3.12Å; L251-Q255 WeakPolarHBondContact O-CG 3.18Å |
| 252 | T | 95.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 173 | -58 | 0 | 0 | 0 | 0 | 111.5 | D193 V197 D249 W250 E254 Q255 | D193-T252 WeakPolarHBondContact CB-OG1 3.4Å; D193-T252 VanDerWaalsContact OD2-CB 3.28Å; D193-T252 WeakPolarHBondContact OD2-CB 3.05Å; D193-T252 PolarHBondContact OD2-OG1 3.44Å; V197-T252 HydrophobicContact CG2-CG2 3.81Å; D249-T252 VanDerWaalsContact O-CB 3.31Å; D249-T252 WeakPolarHBondContact O-CB 3.38Å; D249-T252 PolarHBondContact O-N 3.45Å; W250-T252 PolarHBondContact O-N 3.06Å; W250-T252 VanDerWaalsContact O-N 3.12Å; T252-E254 VanDerWaalsContact C-N 3.25Å; T252-E254 PolarHBondContact O-N 3.09Å; T252-Q255 WeakPolarHBondContact O-CB 3.39Å; T252-Q255 PolarHBondContact O-N 2.93Å; T252-Q255 VanDerWaalsContact O-N 3.12Å |
| 253 | I | 94.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -30.5 | 177.7 | -66.4 | 170.1 | 0 | 0 | 0 | 111.2 | F232 M235 S236 M239 W250 Q255 G258 M259 | F232-I253 HydrophobicContact CB-CG2 3.99Å; F232-I253 HydrophobicContact CD1-CG2 3.39Å; F232-I253 HydrophobicContact CE1-CG2 4.02Å; F232-I253 HydrophobicContact CG-CG2 3.84Å; M235-I253 HydrophobicContact CB-CD1 4.39Å; S236-I253 VanDerWaalsContact CB-CD1 3.48Å; M239-I253 HydrophobicContact CE-CG1 4.45Å; M239-I253 HydrophobicContact SD-CD1 4.23Å; M239-I253 HydrophobicContact SD-CG1 4.32Å; W250-I253 HydrophobicContact CE3-CD1 3.93Å; W250-I253 HydrophobicContact CZ3-CD1 3.98Å; W250-I253 WeakPolarHBondContact O-CB 3.42Å; W250-I253 PolarHBondContact O-N 3.43Å; I253-Q255 PolarHBondContact O-N 3.29Å; I253-G258 CarbonylContact O-C 3.55Å; I253-G258 WeakPolarHBondContact O-CA 3.12Å; I253-M259 PolarHBondContact O-N 2.94Å |
| 254 | E | 94.3 | Very high | 93.1 | Very high | 102 Ų | 102 | 53.7 Ų | 53.7 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.1 | 176.5 | -65.1 | -177.5 | 179.2 | 0 | 0 | 113.2 | W250 L251 T252 | W250-E254 PolarHBondContact NE1-OE1 2.61Å; W250-E254 VanDerWaalsContact NE1-OE1 3.12Å; L251-E254 PolarHBondContact O-N 3.12Å; T252-E254 VanDerWaalsContact C-N 3.25Å; T252-E254 PolarHBondContact O-N 3.09Å |
| 255 | Q | 96.1 | Very high | 92.9 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 20% | 0.201 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -81.7 | 174.6 | 178.8 | -53.4 | -178.2 | 21.4 | 0 | 0 | 112 | T165 L251 T252 I253 C257 G258 M259 | T165-Q255 VanDerWaalsContact OG1-CB 3.27Å; T165-Q255 WeakPolarHBondContact OG1-CB 3.35Å; T165-Q255 PolarHBondContact OG1-OE1 3Å; L251-Q255 WeakPolarHBondContact O-CG 3.18Å; T252-Q255 WeakPolarHBondContact O-CB 3.39Å; T252-Q255 PolarHBondContact O-N 2.93Å; T252-Q255 VanDerWaalsContact O-N 3.12Å; I253-Q255 PolarHBondContact O-N 3.29Å; Q255-C257 VanDerWaalsContact C-N 3.26Å; Q255-C257 PolarHBondContact O-N 3.42Å; Q255-G258 PolarHBondContact O-N 3.27Å; Q255-M259 PolarHBondContact O-N 3.16Å |
| 256 | S | 95.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -54.3 | -40 | -176.4 | 179.4 | 0 | 0 | 0 | 0 | 113.5 | G149 A150 E163 G258 A260 E261 | G149-S256 WeakPolarHBondContact CA-OG 3.49Å; A150-S256 PolarHBondContact N-OG 3.49Å; E163-S256 WeakPolarHBondContact O-CB 3.46Å; E163-S256 PolarHBondContact O-OG 3.13Å; S256-G258 PolarHBondContact O-N 3.37Å; S256-A260 WeakPolarHBondContact O-CB 2.9Å; S256-A260 PolarHBondContact O-N 3.46Å; S256-E261 PolarHBondContact O-N 3.07Å; S256-E261 VanDerWaalsContact O-N 3.07Å |
| 257 | C | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -59 | -31.1 | 178.6 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | V197 C200 Q255 E261 | V197-C257 HydrophobicContact CG1-CB 4.17Å; C200-C257 HydrophobicContact CB-CB 4.32Å; C200-C257 WeakPolarHBondContact CB-O 3.38Å; Q255-C257 VanDerWaalsContact C-N 3.26Å; Q255-C257 PolarHBondContact O-N 3.42Å; C257-E261 WeakPolarHBondContact CA-OE2 3.33Å; C257-E261 WeakPolarHBondContact O-CB 3.45Å |
| 258 | G | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -95.8 | -72 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I253 Q255 S256 L262 | I253-G258 CarbonylContact O-C 3.55Å; I253-G258 WeakPolarHBondContact O-CA 3.12Å; Q255-G258 PolarHBondContact O-N 3.27Å; S256-G258 PolarHBondContact O-N 3.37Å; G258-L262 WeakPolarHBondContact O-CB 3.35Å; G258-L262 PolarHBondContact O-N 2.88Å |
| 259 | M | 94.7 | Very high | 91.3 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -66.7 | -51.5 | -167.5 | -173.8 | 178.2 | -62.7 | 0 | 0 | 112.6 | F232 I253 Q255 F263 | F232-M259 HydrophobicContact CE2-CG 4.39Å; F232-M259 HydrophobicContact CZ-CB 4.14Å; F232-M259 HydrophobicContact CZ-CG 4.01Å; I253-M259 PolarHBondContact O-N 2.94Å; Q255-M259 PolarHBondContact O-N 3.16Å; M259-F263 VanDerWaalsContact O-CB 3.23Å; M259-F263 WeakPolarHBondContact O-CB 3.29Å; M259-F263 PolarHBondContact O-N 2.9Å |
| 260 | A | 93.4 | Very high | 90.9 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 30% | 0.298 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -69.6 | -41.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A150 S256 L262 F263 I264 | A150-A260 HydrophobicContact CB-CB 3.51Å; S256-A260 WeakPolarHBondContact O-CB 2.9Å; S256-A260 PolarHBondContact O-N 3.46Å; A260-L262 PolarHBondContact O-N 3.44Å; A260-F263 PolarHBondContact O-N 3.42Å; A260-I264 PolarHBondContact O-N 2.96Å |
| 261 | E | 91 | Very high | 90.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 176.8 | -78.4 | -158.4 | 75.5 | 0 | 0 | 112.3 | K118 S148 G149 A150 K204 S256 C257 C265 | K118-E261 IonicContact NZ-OE1 2.58Å; S148-E261 WeakPolarHBondContact CB-OE2 3.46Å; S148-E261 PolarHBondContact OG-OE2 3.47Å; G149-E261 PolarHBondContact N-OE2 3.21Å; G149-E261 VanDerWaalsContact N-OE2 3.12Å; G149-E261 WeakPolarHBondContact O-CG 2.95Å; A150-E261 HydrophobicContact CB-CG 4.29Å; K204-E261 HydrophobicContact CD-CB 3.8Å; K204-E261 IonicContact NZ-OE1 3.82Å; K204-E261 PolarHBondContact NZ-OE1 2.84Å; S256-E261 PolarHBondContact O-N 3.07Å; S256-E261 VanDerWaalsContact O-N 3.07Å; C257-E261 WeakPolarHBondContact CA-OE2 3.33Å; C257-E261 WeakPolarHBondContact O-CB 3.45Å; E261-C265 PolarHBondContact O-N 3.34Å; E261-C265 PolarHBondContact O-SG 2.54Å |
| 262 | L | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.2 | -37.5 | -179.9 | -176.1 | 56.8 | 0 | 0 | 0 | 111.5 | K204 V207 L228 F232 M235 G258 A260 I264 C265 M266 | K204-L262 HydrophobicContact CB-CB 4.49Å; K204-L262 HydrophobicContact CB-CD1 4.11Å; V207-L262 HydrophobicContact CB-CD1 3.77Å; V207-L262 HydrophobicContact CB-CD2 4.09Å; V207-L262 HydrophobicContact CG1-CD1 3.91Å; V207-L262 HydrophobicContact CG1-CD2 3.78Å; V207-L262 HydrophobicContact CG1-CG 4.4Å; V207-L262 HydrophobicContact CG2-CD2 4.44Å; L228-L262 HydrophobicContact CD1-CB 4.48Å; L228-L262 HydrophobicContact CD1-CD2 3.65Å; L228-L262 HydrophobicContact CD1-CG 3.76Å; F232-L262 HydrophobicContact CD1-CD2 3.87Å; F232-L262 HydrophobicContact CE1-CB 3.96Å; F232-L262 HydrophobicContact CE1-CD2 3.47Å; F232-L262 VanDerWaalsContact CE1-CD2 3.47Å; F232-L262 HydrophobicContact CE1-CG 4.28Å; F232-L262 HydrophobicContact CZ-CB 4.29Å; F232-L262 HydrophobicContact CZ-CD2 3.95Å; M235-L262 HydrophobicContact SD-CD2 4.25Å; G258-L262 WeakPolarHBondContact O-CB 3.35Å; G258-L262 PolarHBondContact O-N 2.88Å; A260-L262 PolarHBondContact O-N 3.44Å; L262-I264 PolarHBondContact O-N 3.26Å; L262-C265 PolarHBondContact O-N 3.18Å; L262-M266 HydrophobicContact CD1-CG 4.01Å; L262-M266 HydrophobicContact CD1-SD 3.94Å; L262-M266 HydrophobicContact CD2-SD 4.35Å; L262-M266 HydrophobicContact CG-CG 4.32Å; L262-M266 HydrophobicContact CG-SD 3.87Å; L262-M266 WeakPolarHBondContact O-CB 3.45Å; L262-M266 WeakPolarHBondContact O-CG 3.32Å; L262-M266 PolarHBondContact O-N 3.18Å |
| 263 | F | 91.9 | Very high | 89.1 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 177.5 | -176.2 | -96.9 | 0 | 0 | 0 | 112.6 | M259 A260 M266 S267 | M259-F263 VanDerWaalsContact O-CB 3.23Å; M259-F263 WeakPolarHBondContact O-CB 3.29Å; M259-F263 PolarHBondContact O-N 2.9Å; A260-F263 PolarHBondContact O-N 3.42Å; F263-M266 PolarHBondContact O-N 3.43Å; F263-S267 WeakPolarHBondContact CE1-OG 3.1Å; F263-S267 VanDerWaalsContact O-CB 3.3Å; F263-S267 WeakPolarHBondContact O-CB 3.38Å; F263-S267 PolarHBondContact O-N 3.12Å; F263-S267 PolarHBondContact O-OG 2.64Å |
| 264 | I | 88.2 | Confident | 88.5 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 174.4 | -71.5 | -170.4 | 0 | 0 | 0 | 110.3 | A150 A260 L262 M266 S267 L282 | A150-I264 HydrophobicContact CB-CD1 3.5Å; A150-I264 VanDerWaalsContact CB-CD1 3.5Å; A150-I264 HydrophobicContact CB-CG1 4.11Å; A260-I264 PolarHBondContact O-N 2.96Å; L262-I264 PolarHBondContact O-N 3.26Å; I264-M266 VanDerWaalsContact C-N 3.25Å; I264-M266 PolarHBondContact O-N 3.36Å; I264-S267 PolarHBondContact O-N 2.77Å; I264-S267 VanDerWaalsContact O-N 3.16Å; I264-L282 HydrophobicContact CG2-CD2 4.18Å |
| 265 | C | 87.3 | Confident | 88 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 179.7 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | A208 E261 L262 I285 | A208-C265 HydrophobicContact CB-CB 4.02Å; E261-C265 PolarHBondContact O-N 3.34Å; E261-C265 PolarHBondContact O-SG 2.54Å; L262-C265 PolarHBondContact O-N 3.18Å; C265-I285 WeakPolarHBondContact O-CD1 3.45Å |
| 266 | M | 87.5 | Confident | 87.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.8 | -23.4 | -178.9 | -69 | -174.6 | 52.1 | 0 | 0 | 113.6 | V207 A211 K224 V227 L228 L262 F263 I264 H268 | V207-M266 HydrophobicContact CG1-SD 4.25Å; A211-M266 HydrophobicContact CB-CB 4.32Å; A211-M266 HydrophobicContact CB-CE 3.64Å; A211-M266 HydrophobicContact CB-CG 3.61Å; A211-M266 HydrophobicContact CB-SD 3.97Å; K224-M266 WeakPolarHBondContact CE-O 3.23Å; K224-M266 HydrophobicContact CG-CE 3.83Å; K224-M266 PolarHBondContact NZ-O 3.48Å; K224-M266 VanDerWaalsContact O-CE 3.32Å; K224-M266 WeakPolarHBondContact O-CE 3.47Å; V227-M266 HydrophobicContact CG1-CE 4.48Å; L228-M266 HydrophobicContact CB-CE 3.65Å; L228-M266 HydrophobicContact CB-SD 3.96Å; L228-M266 HydrophobicContact CD1-CE 4.19Å; L228-M266 HydrophobicContact CD1-SD 3.44Å; L228-M266 WeakPolarHBondContact CD1-SD 3.5Å; L228-M266 HydrophobicContact CG-CE 4.46Å; L228-M266 HydrophobicContact CG-SD 4.29Å; L262-M266 HydrophobicContact CD1-CG 4.01Å; L262-M266 HydrophobicContact CD1-SD 3.94Å; L262-M266 HydrophobicContact CD2-SD 4.35Å; L262-M266 HydrophobicContact CG-CG 4.32Å; L262-M266 HydrophobicContact CG-SD 3.87Å; L262-M266 WeakPolarHBondContact O-CB 3.45Å; L262-M266 WeakPolarHBondContact O-CG 3.32Å; L262-M266 PolarHBondContact O-N 3.18Å; F263-M266 PolarHBondContact O-N 3.43Å; I264-M266 VanDerWaalsContact C-N 3.25Å; I264-M266 PolarHBondContact O-N 3.36Å; M266-H268 VanDerWaalsContact C-N 3.29Å; M266-H268 PolarHBondContact O-N 3.24Å |
| 267 | S | 84.5 | Confident | 86.9 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -79.7 | -11.5 | -177.8 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | F263 I264 R269 | F263-S267 WeakPolarHBondContact CE1-OG 3.1Å; F263-S267 VanDerWaalsContact O-CB 3.3Å; F263-S267 WeakPolarHBondContact O-CB 3.38Å; F263-S267 PolarHBondContact O-N 3.12Å; F263-S267 PolarHBondContact O-OG 2.64Å; I264-S267 PolarHBondContact O-N 2.77Å; I264-S267 VanDerWaalsContact O-N 3.16Å; S267-R269 WeakPolarHBondContact O-CG 3.5Å |
| 268 | H | 83.6 | Confident | 86.5 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.153 | 28% | 0.277 | C | S | . | . | trans | -65.7 | 132 | 178.5 | -166.2 | 69.3 | 0 | 0 | 0 | 112.1 | M266 T270 L282 I285 | M266-H268 VanDerWaalsContact C-N 3.29Å; M266-H268 PolarHBondContact O-N 3.24Å; H268-T270 PolarHBondContact CD2-O 3.46Å; H268-T270 WeakPolarHBondContact CE1-CG2 3.44Å; H268-T270 VanDerWaalsContact NE2-CG2 3.32Å; H268-T270 WeakPolarHBondContact NE2-CG2 3.5Å; H268-T270 PolarHBondContact NE2-O 3.06Å; H268-L282 HydrophobicContact CB-CD2 4.07Å; H268-I285 HydrophobicContact CB-CG2 3.8Å | ||
| 269 | R | 77.4 | Confident | 86 | Confident | 232 Ų | 232 | 55 Ų | 55 | 88% | 0.875 | 28% | 0.28 | S | S | * | . | trans | -118.5 | -7.6 | -171.5 | -57.5 | -168 | -179.7 | -155.2 | -2.3 | 114.8 | S267 | S267-R269 WeakPolarHBondContact O-CG 3.5Š| ||
| 270 | T | 82.6 | Confident | 85.5 | Confident | 52 Ų | 52 | 52 Ų | 52 | 32% | 0.319 | 27% | 0.266 | S | S | . | . | trans | -102.5 | 158.3 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | H268 E272 | H268-T270 PolarHBondContact CD2-O 3.46Å; H268-T270 WeakPolarHBondContact CE1-CG2 3.44Å; H268-T270 VanDerWaalsContact NE2-CG2 3.32Å; H268-T270 WeakPolarHBondContact NE2-CG2 3.5Å; H268-T270 PolarHBondContact NE2-O 3.06Å; T270-E272 HydrophobicContact CG2-CB 4.4Å; T270-E272 WeakPolarHBondContact OG1-CB 3.31Å; T270-E272 WeakPolarHBondContact OG1-CG 3.34Å; T270-E272 PolarHBondContact OG1-N 2.85Å; T270-E272 VanDerWaalsContact OG1-N 3.13Å | ||
| 271 | D | 83 | Confident | 85.1 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | trans | -102.6 | 2.8 | 171.8 | -70.2 | -33.5 | 0 | 0 | 0 | 112.3 | T286 H289 R293 | D271-T286 HydrophobicContact CB-CG2 3.93Å; D271-H289 WeakPolarHBondContact OD1-CB 3.24Å; D271-H289 IonicContact OD1-CE1 2.9Å; D271-H289 IonicContact OD1-CG 3.07Å; D271-H289 IonicContact OD1-ND1 2.78Å; D271-H289 PolarHBondContact OD1-ND1 3.28Å; D271-R293 IonicContact OD2-CZ 3.72Å; D271-R293 IonicContact OD2-NH1 2.71Å; D271-R293 PolarHBondContact OD2-NH1 3.09Å; D271-R293 IonicContact OD2-NH2 3.19Å; D271-R293 PolarHBondContact OD2-NH2 3.47Å | ||
| 272 | E | 83.3 | Confident | 85 | Confident | 144 Ų | 144 | 51.5 Ų | 51.5 | 67% | 0.673 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -65.8 | 144.8 | 175.4 | -69.2 | 171.9 | 169.3 | 0 | 0 | 110 | T270 P274 | T270-E272 HydrophobicContact CG2-CB 4.4Å; T270-E272 WeakPolarHBondContact OG1-CB 3.31Å; T270-E272 WeakPolarHBondContact OG1-CG 3.34Å; T270-E272 PolarHBondContact OG1-N 2.85Å; T270-E272 VanDerWaalsContact OG1-N 3.13Å; E272-P274 WeakPolarHBondContact O-CD 3.31Å |
| 273 | V | 80.3 | Confident | 84.9 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 125.7 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 107.5 | F303 | V273-F303 HydrophobicContact CG1-CD1 4.42Å; V273-F303 HydrophobicContact CG2-CD1 3.61Å; V273-F303 HydrophobicContact CG2-CE1 3.75Å |
| 274 | P | 82.5 | Confident | 84.9 | Confident | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.071 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 147.1 | 179.9 | -21.3 | 29.6 | 0 | 0 | 0 | 111.5 | E272 L280 L282 | E272-P274 WeakPolarHBondContact O-CD 3.31Å; P274-L280 HydrophobicContact CB-CD2 4.21Å; P274-L282 HydrophobicContact CG-CB 3.91Å; P274-L282 HydrophobicContact CG-CD1 4.42Å |
| 275 | D | 84.1 | Confident | 85.1 | Confident | 114 Ų | 114 | 43.3 Ų | 43.3 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -65.7 | 159 | 177.5 | -75.4 | -37.7 | 0 | 0 | 0 | 111.6 | G277 S278 | D275-G277 PolarHBondContact O-N 2.75Å; D275-S278 WeakPolarHBondContact O-CB 3.43Å; D275-S278 PolarHBondContact O-N 2.91Å; D275-S278 VanDerWaalsContact O-N 3.13Å |
| 276 | I | 84.5 | Confident | 85.3 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 127.4 | 175.9 | -68.6 | 176.2 | 0 | 0 | 0 | 108.3 | Y61 R309 | Y61-I276 VanDerWaalsContact O-CG2 3.28Å; Y61-I276 WeakPolarHBondContact O-CG2 3.38Å; I276-R309 HydrophobicContact CG1-CG 4.2Å |
| 277 | G | 82.5 | Confident | 85.5 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -18.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A153 I154 D275 | A153-G277 WeakPolarHBondContact CB-O 3.39Å; A153-G277 PolarHBondContact N-O 3.1Å; A153-G277 VanDerWaalsContact N-O 3.15Å; I154-G277 VanDerWaalsContact CD1-C 3.47Å; I154-G277 PolarHBondContact N-O 3.16Å; D275-G277 PolarHBondContact O-N 2.75Å |
| 278 | S | 86.5 | Confident | 85.9 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -74 | 170.2 | 165.8 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | D275 L280 | D275-S278 WeakPolarHBondContact O-CB 3.43Å; D275-S278 PolarHBondContact O-N 2.91Å; D275-S278 VanDerWaalsContact O-N 3.13Å; S278-L280 PolarHBondContact O-N 2.91Å; S278-L280 VanDerWaalsContact O-N 3.1Å |
| 279 | D | 85 | Confident | 86.3 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | trans | -70.4 | 106.7 | 173.4 | -168 | -3.7 | 0 | 0 | 0 | 110.3 | K118 T152 D281 L282 | K118-D279 IonicContact NZ-OD2 2.82Å; T152-D279 HydrophobicContact CG2-CB 4.13Å; D279-D281 PolarHBondContact O-N 3.45Å; D279-D281 VanDerWaalsContact OD1-CB 3.26Å; D279-D281 WeakPolarHBondContact OD1-CB 3.27Å; D279-D281 PolarHBondContact OD1-N 2.95Å; D279-L282 HydrophobicContact CB-CD1 4.46Å; D279-L282 HydrophobicContact CB-CG 4.21Å; D279-L282 WeakPolarHBondContact O-CB 3.45Å; D279-L282 WeakPolarHBondContact O-CD1 3.33Å; D279-L282 WeakPolarHBondContact O-CG 3.42Å; D279-L282 PolarHBondContact O-N 2.74Å | ||
| 280 | L | 84.7 | Confident | 87 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 14% | 0.141 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -73.1 | -15 | 178.6 | -69.1 | 171.4 | 0 | 0 | 0 | 112.5 | P274 S278 L282 I283 R309 T310 | P274-L280 HydrophobicContact CB-CD2 4.21Å; S278-L280 PolarHBondContact O-N 2.91Å; S278-L280 VanDerWaalsContact O-N 3.1Å; L280-L282 PolarHBondContact O-N 3.38Å; L280-I283 WeakPolarHBondContact O-CB 3.13Å; L280-I283 WeakPolarHBondContact O-CG2 3.25Å; L280-I283 PolarHBondContact O-N 3.12Å; L280-R309 HydrophobicContact CD1-CB 3.81Å; L280-R309 HydrophobicContact CD1-CG 4.16Å; L280-R309 HydrophobicContact CD2-CB 4.33Å; L280-R309 HydrophobicContact CD2-CG 4.23Å; L280-T310 VanDerWaalsContact CD1-O 3.3Å; L280-T310 WeakPolarHBondContact CD1-O 3.33Å |
| 281 | D | 85.6 | Confident | 87.4 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -66.1 | -16.3 | 175.9 | -70.1 | -20 | 0 | 0 | 0 | 112.4 | K118 K204 H205 D279 I283 N284 T312 | K118-D281 WeakPolarHBondContact CD-OD2 3.45Å; K204-D281 IonicContact NZ-OD2 3.61Å; H205-D281 IonicContact CD2-OD2 2.67Å; H205-D281 IonicContact CE1-OD2 3.36Å; H205-D281 WeakPolarHBondContact NE2-CB 3.28Å; H205-D281 IonicContact NE2-OD1 3.25Å; H205-D281 IonicContact NE2-OD2 2.67Å; H205-D281 PolarHBondContact NE2-OD2 3.12Å; D279-D281 PolarHBondContact O-N 3.45Å; D279-D281 VanDerWaalsContact OD1-CB 3.26Å; D279-D281 WeakPolarHBondContact OD1-CB 3.27Å; D279-D281 PolarHBondContact OD1-N 2.95Å; D281-I283 PolarHBondContact O-N 2.89Å; D281-I283 VanDerWaalsContact O-N 3.11Å; D281-N284 WeakPolarHBondContact O-CB 3.27Å; D281-N284 PolarHBondContact O-N 2.88Å; D281-N284 VanDerWaalsContact O-N 3.1Å; D281-N284 PolarHBondContact O-ND2 3.02Å; D281-T312 PolarHBondContact OD1-N 3.08Å; D281-T312 VanDerWaalsContact OD1-N 3.08Å; D281-T312 PolarHBondContact OD1-OG1 3.29Å |
| 282 | L | 88.7 | Confident | 87.7 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -56.8 | -22.4 | 172.2 | -62.9 | 179.9 | 0 | 0 | 0 | 112.6 | I264 H268 P274 D279 L280 N284 I285 | I264-L282 HydrophobicContact CG2-CD2 4.18Å; H268-L282 HydrophobicContact CB-CD2 4.07Å; P274-L282 HydrophobicContact CG-CB 3.91Å; P274-L282 HydrophobicContact CG-CD1 4.42Å; D279-L282 HydrophobicContact CB-CD1 4.46Å; D279-L282 HydrophobicContact CB-CG 4.21Å; D279-L282 WeakPolarHBondContact O-CB 3.45Å; D279-L282 WeakPolarHBondContact O-CD1 3.33Å; D279-L282 WeakPolarHBondContact O-CG 3.42Å; D279-L282 PolarHBondContact O-N 2.74Å; L280-L282 PolarHBondContact O-N 3.38Å; L282-N284 PolarHBondContact O-N 2.78Å; L282-I285 WeakPolarHBondContact O-CG2 3.41Å; L282-I285 PolarHBondContact O-N 2.78Å |
| 283 | I | 88.7 | Confident | 87.8 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.4 | -27.5 | 174.1 | -164.3 | 168.8 | 0 | 0 | 0 | 113.4 | L280 D281 I285 T286 V287 F303 Y311 | L280-I283 WeakPolarHBondContact O-CB 3.13Å; L280-I283 WeakPolarHBondContact O-CG2 3.25Å; L280-I283 PolarHBondContact O-N 3.12Å; D281-I283 PolarHBondContact O-N 2.89Å; D281-I283 VanDerWaalsContact O-N 3.11Å; I283-I285 VanDerWaalsContact C-N 3.33Å; I283-I285 PolarHBondContact O-N 3.25Å; I283-T286 WeakPolarHBondContact O-CB 3.34Å; I283-T286 PolarHBondContact O-N 2.76Å; I283-T286 VanDerWaalsContact O-N 3.14Å; I283-V287 WeakPolarHBondContact O-CG2 3.19Å; I283-V287 PolarHBondContact O-N 3.38Å; I283-F303 HydrophobicContact CD1-CB 3.48Å; I283-F303 VanDerWaalsContact CD1-CB 3.48Å; I283-F303 HydrophobicContact CD1-CD1 3.34Å; I283-F303 HydrophobicContact CD1-CD2 4.34Å; I283-F303 HydrophobicContact CD1-CE1 4.03Å; I283-F303 HydrophobicContact CD1-CG 3.49Å; I283-F303 VanDerWaalsContact CD1-CG 3.49Å; I283-F303 HydrophobicContact CG1-CD1 3.86Å; I283-F303 HydrophobicContact CG1-CE1 4.02Å; I283-F303 HydrophobicContact CG1-CG 4.27Å; I283-Y311 HydrophobicContact CD1-CD1 4.4Å; I283-Y311 HydrophobicContact CD1-CE1 4.12Å; I283-Y311 HydrophobicContact CD1-CE2 4.43Å; I283-Y311 HydrophobicContact CG2-CD2 3.5Å; I283-Y311 VanDerWaalsContact CG2-CD2 3.5Å; I283-Y311 HydrophobicContact CG2-CE2 3.98Å; I283-Y311 HydrophobicContact CG2-CG 3.84Å |
| 284 | N | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -33.8 | 179.6 | -71.1 | -66.7 | 0 | 0 | 0 | 112.4 | H205 A208 I209 D281 L282 V287 G288 T312 G314 | H205-N284 HydrophobicContact CB-CB 4.34Å; H205-N284 PolarHBondContact CD2-ND2 2.81Å; H205-N284 VanDerWaalsContact CD2-ND2 3.31Å; A208-N284 HydrophobicContact CB-CB 4.03Å; I209-N284 WeakPolarHBondContact CA-O 3.45Å; I209-N284 HydrophobicContact CG1-CB 4.14Å; I209-N284 VanDerWaalsContact CG1-O 3.26Å; I209-N284 WeakPolarHBondContact CG1-O 3.14Å; D281-N284 WeakPolarHBondContact O-CB 3.27Å; D281-N284 PolarHBondContact O-N 2.88Å; D281-N284 VanDerWaalsContact O-N 3.1Å; D281-N284 PolarHBondContact O-ND2 3.02Å; L282-N284 PolarHBondContact O-N 2.78Å; N284-V287 WeakPolarHBondContact O-CB 3.31Å; N284-V287 PolarHBondContact O-N 3.3Å; N284-G288 PolarHBondContact O-N 3.26Å; N284-T312 PolarHBondContact ND2-O 3.01Å; N284-G314 VanDerWaalsContact OD1-CA 3.23Å; N284-G314 WeakPolarHBondContact OD1-CA 3.46Å; N284-G314 PolarHBondContact OD1-N 2.75Å |
| 285 | I | 93.3 | Very high | 86 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.7 | -37.4 | 172.5 | -166.6 | 166 | 0 | 0 | 0 | 111.1 | G212 C265 H268 L282 I283 V287 G288 H289 | G212-I285 WeakPolarHBondContact CA-O 3.41Å; C265-I285 WeakPolarHBondContact O-CD1 3.45Å; H268-I285 HydrophobicContact CB-CG2 3.8Å; L282-I285 WeakPolarHBondContact O-CG2 3.41Å; L282-I285 PolarHBondContact O-N 2.78Å; I283-I285 VanDerWaalsContact C-N 3.33Å; I283-I285 PolarHBondContact O-N 3.25Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 2.91Å; I285-G288 WeakPolarHBondContact O-CA 3.46Å; I285-G288 PolarHBondContact O-N 2.99Å; I285-G288 VanDerWaalsContact O-N 3.12Å; I285-H289 PolarHBondContact O-N 2.96Å |
| 286 | T | 91.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -36.5 | 177.2 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | D271 I283 G288 H289 K290 F303 | D271-T286 HydrophobicContact CB-CG2 3.93Å; I283-T286 WeakPolarHBondContact O-CB 3.34Å; I283-T286 PolarHBondContact O-N 2.76Å; I283-T286 VanDerWaalsContact O-N 3.14Å; T286-G288 VanDerWaalsContact C-N 3.32Å; T286-H289 PolarHBondContact O-N 2.84Å; T286-K290 HydrophobicContact CG2-CD 4.4Å; T286-K290 WeakPolarHBondContact O-CG 3.19Å; T286-K290 PolarHBondContact O-N 2.9Å; T286-F303 HydrophobicContact CG2-CE1 4.27Å; T286-F303 HydrophobicContact CG2-CZ 3.93Å |
| 287 | V | 91.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.8 | -50.6 | 170.8 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | I209 I283 N284 I285 H289 K290 L291 F298 L300 V315 | I209-V287 HydrophobicContact CD1-CG1 4.47Å; I209-V287 HydrophobicContact CG1-CB 4.39Å; I209-V287 HydrophobicContact CG1-CG1 4.34Å; I283-V287 WeakPolarHBondContact O-CG2 3.19Å; I283-V287 PolarHBondContact O-N 3.38Å; N284-V287 WeakPolarHBondContact O-CB 3.31Å; N284-V287 PolarHBondContact O-N 3.3Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 2.91Å; V287-H289 PolarHBondContact O-N 2.89Å; V287-K290 PolarHBondContact O-N 2.96Å; V287-L291 HydrophobicContact CG1-CD1 3.82Å; V287-L291 HydrophobicContact CG1-CG 4.32Å; V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 3.19Å; V287-F298 HydrophobicContact CB-CE1 4.28Å; V287-F298 HydrophobicContact CB-CZ 3.91Å; V287-F298 HydrophobicContact CG1-CE1 3.71Å; V287-F298 HydrophobicContact CG1-CZ 3.88Å; V287-F298 HydrophobicContact CG2-CE1 4.05Å; V287-F298 HydrophobicContact CG2-CE2 4.34Å; V287-F298 HydrophobicContact CG2-CZ 3.45Å; V287-F298 VanDerWaalsContact CG2-CZ 3.45Å; V287-L300 HydrophobicContact CG2-CD2 4.03Å; V287-V315 HydrophobicContact CG1-CG2 3.87Å |
| 288 | G | 93.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I209 G212 N284 I285 T286 K290 L291 S292 | I209-G288 WeakPolarHBondContact O-CA 3.09Å; G212-G288 CarbonylContact O-C 3.46Å; N284-G288 PolarHBondContact O-N 3.26Å; I285-G288 WeakPolarHBondContact O-CA 3.46Å; I285-G288 PolarHBondContact O-N 2.99Å; I285-G288 VanDerWaalsContact O-N 3.12Å; T286-G288 VanDerWaalsContact C-N 3.32Å; G288-K290 VanDerWaalsContact C-N 3.28Å; G288-K290 PolarHBondContact O-N 2.95Å; G288-L291 PolarHBondContact O-N 3.28Å; G288-S292 PolarHBondContact O-N 2.9Å; G288-S292 PolarHBondContact O-OG 2.67Å |
| 289 | H | 92.5 | Very high | 81.1 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.065 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -42.8 | 176.8 | -65.2 | 154.6 | 0 | 0 | 0 | 111.9 | G212 D271 I285 T286 V287 S292 | G212-H289 WeakPolarHBondContact O-CA 3.42Å; G212-H289 PolarHBondContact O-CD2 3.05Å; G212-H289 PolarHBondContact O-N 3.14Å; D271-H289 WeakPolarHBondContact OD1-CB 3.24Å; D271-H289 IonicContact OD1-CE1 2.9Å; D271-H289 IonicContact OD1-CG 3.07Å; D271-H289 IonicContact OD1-ND1 2.78Å; D271-H289 PolarHBondContact OD1-ND1 3.28Å; I285-H289 PolarHBondContact O-N 2.96Å; T286-H289 PolarHBondContact O-N 2.84Å; V287-H289 PolarHBondContact O-N 2.89Å; H289-S292 PolarHBondContact O-N 2.9Å |
| 290 | K | 90.5 | Very high | 80 | Confident | 54 Ų | 54 | 37.9 Ų | 37.9 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.9 | -41.5 | -178.4 | -71.8 | -175.4 | -178.9 | -171.7 | 0 | 112.1 | T286 V287 G288 S292 R293 S296 F298 F303 | T286-K290 HydrophobicContact CG2-CD 4.4Å; T286-K290 WeakPolarHBondContact O-CG 3.19Å; T286-K290 PolarHBondContact O-N 2.9Å; V287-K290 PolarHBondContact O-N 2.96Å; G288-K290 VanDerWaalsContact C-N 3.28Å; G288-K290 PolarHBondContact O-N 2.95Å; K290-S292 PolarHBondContact O-N 3.27Å; K290-S292 VanDerWaalsContact O-N 3.14Å; K290-R293 PolarHBondContact O-N 3.27Å; K290-S296 PolarHBondContact O-OG 3.14Å; K290-F298 HydrophobicContact CB-CD2 3.62Å; K290-F298 HydrophobicContact CB-CE2 4.1Å; K290-F298 HydrophobicContact CB-CG 4.3Å; K290-F298 HydrophobicContact CD-CD2 3.47Å; K290-F298 VanDerWaalsContact CD-CD2 3.47Å; K290-F298 HydrophobicContact CD-CE2 3.61Å; K290-F298 HydrophobicContact CG-CD2 4.17Å; K290-F298 HydrophobicContact CG-CE2 4.43Å; K290-F303 HydrophobicContact CD-CE2 4.28Å; K290-F303 HydrophobicContact CD-CZ 4.16Å; K290-F303 VanDerWaalsContact NZ-CE2 3.35Å |
| 291 | L | 91.6 | Very high | 78.8 | Confident | 29 Ų | 29 | 44 Ų | 44 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.8 | -31.2 | 175.2 | -72.6 | 169.2 | 0 | 0 | 0 | 112.5 | I209 V287 G288 I343 P350 | I209-L291 HydrophobicContact CG2-CD1 4.18Å; V287-L291 HydrophobicContact CG1-CD1 3.82Å; V287-L291 HydrophobicContact CG1-CG 4.32Å; V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 3.19Å; G288-L291 PolarHBondContact O-N 3.28Å; L291-I343 HydrophobicContact CB-CG2 4.26Å; L291-I343 HydrophobicContact CD1-CG2 4.27Å; L291-P350 WeakPolarHBondContact O-CG 3.49Å |
| 292 | S | 89.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -15.1 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 115.3 | V213 G288 H289 K290 | V213-S292 VanDerWaalsContact CA-OG 3.26Å; V213-S292 WeakPolarHBondContact CA-OG 3.47Å; V213-S292 PolarHBondContact O-OG 3.14Å; G288-S292 PolarHBondContact O-N 2.9Å; G288-S292 PolarHBondContact O-OG 2.67Å; H289-S292 PolarHBondContact O-N 2.9Å; K290-S292 PolarHBondContact O-N 3.27Å; K290-S292 VanDerWaalsContact O-N 3.14Å |
| 293 | R | 84.7 | Confident | 76.1 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -91 | 112.9 | -176.6 | -70 | 178 | -178.8 | 158.9 | 9 | 110.5 | D271 K290 G295 S296 | D271-R293 IonicContact OD2-CZ 3.72Å; D271-R293 IonicContact OD2-NH1 2.71Å; D271-R293 PolarHBondContact OD2-NH1 3.09Å; D271-R293 IonicContact OD2-NH2 3.19Å; D271-R293 PolarHBondContact OD2-NH2 3.47Å; K290-R293 PolarHBondContact O-N 3.27Å; R293-G295 PolarHBondContact O-N 2.93Å; R293-S296 PolarHBondContact O-N 3.3Å; R293-S296 PolarHBondContact O-OG 3.11Å |
| 294 | S | 63.8 | Low | 74.5 | Confident | 121 Ų | 121 | 52.1 Ų | 52.1 | 85% | 0.846 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 134.4 | 177 | -58 | 0 | 0 | 0 | 0 | 112.6 | S296 | S294-S296 VanDerWaalsContact C-N 3.32Å; S294-S296 PolarHBondContact O-N 2.8Å |
| 295 | G | 61.8 | Low | 72.8 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 91% | 0.907 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 3.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R293 S297 | R293-G295 PolarHBondContact O-N 2.93Å; G295-S297 PolarHBondContact O-N 3.37Å |
| 296 | S | 55.2 | Low | 71.2 | Confident | 58 Ų | 58 | 64.1 Ų | 64.1 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | trans | -82.8 | 112 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 111 | K290 R293 S294 F298 | K290-S296 PolarHBondContact O-OG 3.14Å; R293-S296 PolarHBondContact O-N 3.3Å; R293-S296 PolarHBondContact O-OG 3.11Å; S294-S296 VanDerWaalsContact C-N 3.32Å; S294-S296 PolarHBondContact O-N 2.8Å; S296-F298 PolarHBondContact O-N 3.16Å | ||
| 297 | S | 56.7 | Low | 69.8 | Low | 112 Ų | 112 | 69.2 Ų | 69.2 | 78% | 0.783 | 40% | 0.396 | S | S | * | . | trans | -71.5 | 84.2 | 160.8 | 65.5 | 0 | 0 | 0 | 0 | 107.5 | G295 S299 | G295-S297 PolarHBondContact O-N 3.37Å; S297-S299 PolarHBondContact O-N 3.17Å | ||
| 298 | F | 59.9 | Low | 68.9 | Low | 50 Ų | 50 | 72 Ų | 72 | 22% | 0.219 | 41% | 0.408 | C | S | . | . | trans | -74.1 | 117.7 | 177.5 | 176.3 | -100.8 | 0 | 0 | 0 | 109.5 | V287 K290 S296 L300 F303 | V287-F298 HydrophobicContact CB-CE1 4.28Å; V287-F298 HydrophobicContact CB-CZ 3.91Å; V287-F298 HydrophobicContact CG1-CE1 3.71Å; V287-F298 HydrophobicContact CG1-CZ 3.88Å; V287-F298 HydrophobicContact CG2-CE1 4.05Å; V287-F298 HydrophobicContact CG2-CE2 4.34Å; V287-F298 HydrophobicContact CG2-CZ 3.45Å; V287-F298 VanDerWaalsContact CG2-CZ 3.45Å; K290-F298 HydrophobicContact CB-CD2 3.62Å; K290-F298 HydrophobicContact CB-CE2 4.1Å; K290-F298 HydrophobicContact CB-CG 4.3Å; K290-F298 HydrophobicContact CD-CD2 3.47Å; K290-F298 VanDerWaalsContact CD-CD2 3.47Å; K290-F298 HydrophobicContact CD-CE2 3.61Å; K290-F298 HydrophobicContact CG-CD2 4.17Å; K290-F298 HydrophobicContact CG-CE2 4.43Å; S296-F298 PolarHBondContact O-N 3.16Å; F298-L300 HydrophobicContact CE1-CB 4.46Å; F298-L300 HydrophobicContact CE1-CD1 3.96Å; F298-L300 HydrophobicContact CE1-CD2 4.45Å; F298-L300 HydrophobicContact CE1-CG 3.58Å; F298-L300 HydrophobicContact CZ-CD2 4.23Å; F298-L300 HydrophobicContact CZ-CG 3.77Å; F298-F303 HydrophobicContact CD2-CE2 4.38Å; F298-F303 HydrophobicContact CE2-CD2 4.25Å; F298-F303 AromaticContact CE2-CE2 3.49Å; F298-F303 HydrophobicContact CE2-CE2 3.49Å; F298-F303 VanDerWaalsContact CE2-CE2 3.49Å; F298-F303 HydrophobicContact CE2-CZ 4.26Å; F298-F303 HydrophobicContact CZ-CE2 4.13Å | ||
| 299 | S | 63.3 | Low | 68 | Low | 43 Ų | 43 | 75 Ų | 75 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | trans | -117.9 | 118.9 | 166.9 | 105.8 | 0 | 0 | 0 | 0 | 108.8 | S297 Q301 Q302 | S297-S299 PolarHBondContact O-N 3.17Å; S299-Q301 PolarHBondContact O-N 3.24Å; S299-Q301 VanDerWaalsContact O-N 3.16Å; S299-Q302 PolarHBondContact O-N 2.96Å; S299-Q302 PolarHBondContact OG-N 3.01Å | ||
| 300 | L | 60.6 | Low | 67.2 | Low | 31 Ų | 31 | 77.2 Ų | 77.2 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -52.7 | -31.5 | 170.2 | -91.5 | 144.4 | 0 | 0 | 0 | 112 | V287 F298 Q302 F303 T304 Y311 V315 | V287-L300 HydrophobicContact CG2-CD2 4.03Å; F298-L300 HydrophobicContact CE1-CB 4.46Å; F298-L300 HydrophobicContact CE1-CD1 3.96Å; F298-L300 HydrophobicContact CE1-CD2 4.45Å; F298-L300 HydrophobicContact CE1-CG 3.58Å; F298-L300 HydrophobicContact CZ-CD2 4.23Å; F298-L300 HydrophobicContact CZ-CG 3.77Å; L300-Q302 PolarHBondContact O-N 3.43Å; L300-F303 WeakPolarHBondContact O-CB 3.44Å; L300-F303 PolarHBondContact O-N 3.39Å; L300-T304 PolarHBondContact O-N 3.44Å; L300-Y311 HydrophobicContact CD2-CE2 4.18Å; L300-Y311 WeakPolarHBondContact CD2-OH 3.45Å; L300-V315 HydrophobicContact CD1-CB 3.95Å; L300-V315 HydrophobicContact CD1-CG2 3.69Å |
| 301 | Q | 59.7 | Low | 66.8 | Low | 154 Ų | 154 | 76.3 Ų | 76.3 | 72% | 0.72 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -57.2 | -24.3 | 177.7 | -68 | -176 | 0 | 0 | 0 | 114 | S299 F303 T304 | S299-Q301 PolarHBondContact O-N 3.24Å; S299-Q301 VanDerWaalsContact O-N 3.16Å; Q301-F303 VanDerWaalsContact C-N 3.3Å; Q301-F303 PolarHBondContact O-N 3.41Å; Q301-T304 WeakPolarHBondContact CA-OG1 3.4Å; Q301-T304 PolarHBondContact O-N 3.29Å; Q301-T304 PolarHBondContact O-OG1 2.92Å |
| 302 | Q | 59.5 | Low | 66.4 | Low | 120 Ų | 120 | 75.7 Ų | 75.7 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -69.1 | -31 | 175.7 | -76.9 | -179.6 | 2.9 | 0 | 0 | 112.3 | S299 L300 | S299-Q302 PolarHBondContact O-N 2.96Å; S299-Q302 PolarHBondContact OG-N 3.01Å; L300-Q302 PolarHBondContact O-N 3.43Å |
| 303 | F | 58.9 | Low | 66.3 | Low | 19 Ų | 19 | 77 Ų | 77 | 8% | 0.083 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.5 | 177.2 | -71.8 | -96.5 | 0 | 0 | 0 | 112.4 | V273 I283 T286 K290 F298 L300 Q301 K305 | V273-F303 HydrophobicContact CG1-CD1 4.42Å; V273-F303 HydrophobicContact CG2-CD1 3.61Å; V273-F303 HydrophobicContact CG2-CE1 3.75Å; I283-F303 HydrophobicContact CD1-CB 3.48Å; I283-F303 VanDerWaalsContact CD1-CB 3.48Å; I283-F303 HydrophobicContact CD1-CD1 3.34Å; I283-F303 HydrophobicContact CD1-CD2 4.34Å; I283-F303 HydrophobicContact CD1-CE1 4.03Å; I283-F303 HydrophobicContact CD1-CG 3.49Å; I283-F303 VanDerWaalsContact CD1-CG 3.49Å; I283-F303 HydrophobicContact CG1-CD1 3.86Å; I283-F303 HydrophobicContact CG1-CE1 4.02Å; I283-F303 HydrophobicContact CG1-CG 4.27Å; T286-F303 HydrophobicContact CG2-CE1 4.27Å; T286-F303 HydrophobicContact CG2-CZ 3.93Å; K290-F303 HydrophobicContact CD-CE2 4.28Å; K290-F303 HydrophobicContact CD-CZ 4.16Å; K290-F303 VanDerWaalsContact NZ-CE2 3.35Å; F298-F303 HydrophobicContact CD2-CE2 4.38Å; F298-F303 HydrophobicContact CE2-CD2 4.25Å; F298-F303 AromaticContact CE2-CE2 3.49Å; F298-F303 HydrophobicContact CE2-CE2 3.49Å; F298-F303 VanDerWaalsContact CE2-CE2 3.49Å; F298-F303 HydrophobicContact CE2-CZ 4.26Å; F298-F303 HydrophobicContact CZ-CE2 4.13Å; L300-F303 WeakPolarHBondContact O-CB 3.44Å; L300-F303 PolarHBondContact O-N 3.39Å; Q301-F303 VanDerWaalsContact C-N 3.3Å; Q301-F303 PolarHBondContact O-N 3.41Å; F303-K305 VanDerWaalsContact C-N 3.31Å; F303-K305 PolarHBondContact O-N 3.19Å |
| 304 | T | 55.1 | Low | 66.5 | Low | 66 Ų | 66 | 71 Ų | 71 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.9 | -177.6 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | L300 Q301 N306 Y311 | L300-T304 PolarHBondContact O-N 3.44Å; Q301-T304 WeakPolarHBondContact CA-OG1 3.4Å; Q301-T304 PolarHBondContact O-N 3.29Å; Q301-T304 PolarHBondContact O-OG1 2.92Å; T304-N306 CarbonylContact O-C 3.43Å; T304-N306 PolarHBondContact O-N 3Å; T304-Y311 HydrophobicContact CG2-CE1 3.83Å; T304-Y311 VanDerWaalsContact CG2-OH 3.26Å; T304-Y311 WeakPolarHBondContact CG2-OH 3.4Å |
| 305 | K | 54.5 | Low | 67.8 | Low | 183 Ų | 183 | 66.4 Ų | 66.4 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24.4 | -179.6 | -77.3 | -170.6 | 177.4 | -176.8 | 0 | 113.4 | F303 | F303-K305 VanDerWaalsContact C-N 3.31Å; F303-K305 PolarHBondContact O-N 3.19Å |
| 306 | N | 59.7 | Low | 69.1 | Low | 69 Ų | 69 | 67.3 Ų | 67.3 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -98.8 | 104.1 | 173.4 | -162.3 | -13.6 | 0 | 0 | 0 | 110.4 | T304 K308 R309 | T304-N306 CarbonylContact O-C 3.43Å; T304-N306 PolarHBondContact O-N 3Å; N306-K308 PolarHBondContact O-N 2.9Å; N306-R309 PolarHBondContact O-N 2.78Å; N306-R309 VanDerWaalsContact O-N 3.16Å |
| 307 | S | 62.4 | Low | 70.7 | Confident | 108 Ų | 108 | 64.9 Ų | 64.9 | 76% | 0.755 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.7 | -176.9 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | R309 | S307-R309 VanDerWaalsContact C-N 3.31Š|
| 308 | K | 72.6 | Confident | 72.5 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.4 | -179.1 | -64.3 | -179.7 | 168.6 | -167.2 | 0 | 113.9 | V60 Y61 N306 | V60-K308 HydrophobicContact CG1-CD 3.58Å; V60-K308 HydrophobicContact CG1-CG 4.39Å; V60-K308 VanDerWaalsContact CG1-NZ 3.35Å; Y61-K308 HydrophobicContact CE1-CB 3.9Å; Y61-K308 HydrophobicContact CE1-CG 4.24Å; N306-K308 PolarHBondContact O-N 2.9Å |
| 309 | R | 74.4 | Confident | 74 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | trans | -102.1 | 103.8 | 178.8 | -68.9 | 179.7 | 178.4 | 174.8 | -7 | 109.6 | I276 L280 N306 S307 | I276-R309 HydrophobicContact CG1-CG 4.2Å; L280-R309 HydrophobicContact CD1-CB 3.81Å; L280-R309 HydrophobicContact CD1-CG 4.16Å; L280-R309 HydrophobicContact CD2-CB 4.33Å; L280-R309 HydrophobicContact CD2-CG 4.23Å; N306-R309 PolarHBondContact O-N 2.78Å; N306-R309 VanDerWaalsContact O-N 3.16Å; S307-R309 VanDerWaalsContact C-N 3.31Å | ||
| 310 | T | 76.2 | Confident | 75.2 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | trans | -101.8 | 130.7 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | P92 L280 | P92-T310 HydrophobicContact CG-CG2 3.91Å; L280-T310 VanDerWaalsContact CD1-O 3.3Å; L280-T310 WeakPolarHBondContact CD1-O 3.33Å | ||
| 311 | Y | 82.7 | Confident | 76.8 | Confident | 35 Ų | 35 | 61 Ų | 61 | 14% | 0.137 | 30% | 0.303 | C | S | . | . | trans | -140.3 | 167.8 | 177.6 | 64.6 | -87.9 | 0 | 0 | 0 | 109.9 | I283 L300 T304 D313 | I283-Y311 HydrophobicContact CD1-CD1 4.4Å; I283-Y311 HydrophobicContact CD1-CE1 4.12Å; I283-Y311 HydrophobicContact CD1-CE2 4.43Å; I283-Y311 HydrophobicContact CG2-CD2 3.5Å; I283-Y311 VanDerWaalsContact CG2-CD2 3.5Å; I283-Y311 HydrophobicContact CG2-CE2 3.98Å; I283-Y311 HydrophobicContact CG2-CG 3.84Å; L300-Y311 HydrophobicContact CD2-CE2 4.18Å; L300-Y311 WeakPolarHBondContact CD2-OH 3.45Å; T304-Y311 HydrophobicContact CG2-CE1 3.83Å; T304-Y311 VanDerWaalsContact CG2-OH 3.26Å; T304-Y311 WeakPolarHBondContact CG2-OH 3.4Å; Y311-D313 HydrophobicContact CE2-CB 4.07Å | ||
| 312 | T | 83.1 | Confident | 78.4 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.104 | 28% | 0.28 | C | S | . | . | trans | -91.7 | 123.2 | 172.4 | -47.4 | 0 | 0 | 0 | 0 | 110.4 | H205 D281 N284 G314 Y317 | H205-T312 WeakPolarHBondContact CE1-CB 3.48Å; H205-T312 WeakPolarHBondContact CE1-CG2 3.32Å; H205-T312 VanDerWaalsContact ND1-CG2 3.33Å; H205-T312 WeakPolarHBondContact ND1-CG2 3.49Å; D281-T312 PolarHBondContact OD1-N 3.08Å; D281-T312 VanDerWaalsContact OD1-N 3.08Å; D281-T312 PolarHBondContact OD1-OG1 3.29Å; N284-T312 PolarHBondContact ND2-O 3.01Å; T312-G314 PolarHBondContact O-N 3.07Å; T312-Y317 HydrophobicContact CG2-CD2 4.15Å; T312-Y317 HydrophobicContact CG2-CE1 4.28Å; T312-Y317 HydrophobicContact CG2-CE2 3.43Å; T312-Y317 VanDerWaalsContact CG2-CE2 3.43Å; T312-Y317 VanDerWaalsContact CG2-CZ 3.48Å; T312-Y317 WeakPolarHBondContact CG2-OH 3.27Å | ||
| 313 | D | 86.6 | Confident | 80 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | trans | -82.5 | 102.1 | -176.1 | -169.6 | -24.8 | 0 | 0 | 0 | 111.7 | Y311 V315 E316 Y317 | Y311-D313 HydrophobicContact CE2-CB 4.07Å; D313-V315 PolarHBondContact O-N 3.38Å; D313-V315 WeakPolarHBondContact OD1-CA 3.44Å; D313-V315 VanDerWaalsContact OD1-CB 3.3Å; D313-V315 WeakPolarHBondContact OD1-CB 3.4Å; D313-V315 PolarHBondContact OD1-N 3.45Å; D313-E316 HydrophobicContact CB-CB 4.1Å; D313-E316 WeakPolarHBondContact O-CB 3.31Å; D313-E316 PolarHBondContact O-N 3.24Å; D313-E316 PolarHBondContact OD1-N 2.67Å; D313-Y317 VanDerWaalsContact O-CD2 3.24Å; D313-Y317 WeakPolarHBondContact O-CD2 3.25Å; D313-Y317 PolarHBondContact O-N 3.34Å | ||
| 314 | G | 90.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -22.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I209 N284 T312 Y317 A318 | I209-G314 VanDerWaalsContact CD1-C 3.43Å; N284-G314 VanDerWaalsContact OD1-CA 3.23Å; N284-G314 WeakPolarHBondContact OD1-CA 3.46Å; N284-G314 PolarHBondContact OD1-N 2.75Å; T312-G314 PolarHBondContact O-N 3.07Å; G314-Y317 PolarHBondContact O-N 2.91Å; G314-A318 WeakPolarHBondContact O-CB 3.44Å; G314-A318 PolarHBondContact O-N 2.66Å |
| 315 | V | 91.7 | Very high | 83.4 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.4 | -39.8 | 176 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | I209 V287 L300 D313 Y317 A318 K319 C344 | I209-V315 HydrophobicContact CD1-CG2 3.98Å; V287-V315 HydrophobicContact CG1-CG2 3.87Å; L300-V315 HydrophobicContact CD1-CB 3.95Å; L300-V315 HydrophobicContact CD1-CG2 3.69Å; D313-V315 PolarHBondContact O-N 3.38Å; D313-V315 WeakPolarHBondContact OD1-CA 3.44Å; D313-V315 VanDerWaalsContact OD1-CB 3.3Å; D313-V315 WeakPolarHBondContact OD1-CB 3.4Å; D313-V315 PolarHBondContact OD1-N 3.45Å; V315-Y317 VanDerWaalsContact C-N 3.31Å; V315-A318 PolarHBondContact O-N 2.93Å; V315-K319 PolarHBondContact O-N 2.94Å; V315-C344 HydrophobicContact CG1-CB 3.86Å; V315-C344 HydrophobicContact CG2-CB 4.45Å |
| 316 | E | 88.5 | Confident | 85.4 | Confident | 106 Ų | 106 | 46 Ų | 46 | 50% | 0.495 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 173 | -172.7 | 174.6 | -167.3 | 0 | 0 | 110.8 | L122 D313 K319 L320 | L122-E316 HydrophobicContact CD1-CG 3.83Å; L122-E316 VanDerWaalsContact CD1-OE1 3.26Å; L122-E316 WeakPolarHBondContact CD1-OE1 3.45Å; D313-E316 HydrophobicContact CB-CB 4.1Å; D313-E316 WeakPolarHBondContact O-CB 3.31Å; D313-E316 PolarHBondContact O-N 3.24Å; D313-E316 PolarHBondContact OD1-N 2.67Å; E316-K319 PolarHBondContact O-N 2.85Å; E316-L320 PolarHBondContact O-N 3.15Å |
| 317 | Y | 89.2 | Confident | 86.9 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 177.3 | -81.9 | -122.5 | 0 | 0 | 0 | 112 | G119 L120 G202 T312 D313 G314 V315 K319 L320 I321 | G119-Y317 WeakPolarHBondContact CA-OH 3.36Å; L120-Y317 HydrophobicContact CB-CE1 4.05Å; L120-Y317 HydrophobicContact CD1-CD1 4.26Å; L120-Y317 HydrophobicContact CD1-CE1 3.92Å; L120-Y317 HydrophobicContact CG-CE1 4.08Å; L120-Y317 PolarHBondContact N-OH 2.95Å; G202-Y317 WeakPolarHBondContact O-CD1 3.41Å; G202-Y317 WeakPolarHBondContact O-CE1 3.47Å; T312-Y317 HydrophobicContact CG2-CD2 4.15Å; T312-Y317 HydrophobicContact CG2-CE1 4.28Å; T312-Y317 HydrophobicContact CG2-CE2 3.43Å; T312-Y317 VanDerWaalsContact CG2-CE2 3.43Å; T312-Y317 VanDerWaalsContact CG2-CZ 3.48Å; T312-Y317 WeakPolarHBondContact CG2-OH 3.27Å; D313-Y317 VanDerWaalsContact O-CD2 3.24Å; D313-Y317 WeakPolarHBondContact O-CD2 3.25Å; D313-Y317 PolarHBondContact O-N 3.34Å; G314-Y317 PolarHBondContact O-N 2.91Å; V315-Y317 VanDerWaalsContact C-N 3.31Å; Y317-K319 VanDerWaalsContact C-N 3.27Å; Y317-K319 PolarHBondContact O-N 2.79Å; Y317-L320 PolarHBondContact O-N 3.36Å; Y317-I321 WeakPolarHBondContact O-CB 3.41Å; Y317-I321 VanDerWaalsContact O-CG1 3.31Å; Y317-I321 WeakPolarHBondContact O-CG1 3.28Å; Y317-I321 PolarHBondContact O-N 3.28Å |
| 318 | A | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V206 G314 V315 Y322 V340 H341 | V206-A318 HydrophobicContact CG1-CB 4.14Å; V206-A318 HydrophobicContact CG2-CB 4.08Å; G314-A318 WeakPolarHBondContact O-CB 3.44Å; G314-A318 PolarHBondContact O-N 2.66Å; V315-A318 PolarHBondContact O-N 2.93Å; A318-Y322 VanDerWaalsContact O-CB 3.27Å; A318-Y322 WeakPolarHBondContact O-CB 3.37Å; A318-Y322 PolarHBondContact O-N 3.07Å; A318-V340 HydrophobicContact CB-CG1 4.14Å; A318-H341 HydrophobicContact CB-CB 4.17Å |
| 319 | K | 92.3 | Very high | 89.4 | Confident | 126 Ų | 126 | 52.2 Ų | 52.2 | 55% | 0.548 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.2 | -178.8 | 176.7 | -178.9 | 176.7 | 0 | 112.8 | V315 E316 Y317 K323 H341 | V315-K319 PolarHBondContact O-N 2.94Å; E316-K319 PolarHBondContact O-N 2.85Å; Y317-K319 VanDerWaalsContact C-N 3.27Å; Y317-K319 PolarHBondContact O-N 2.79Å; K319-K323 WeakPolarHBondContact O-CB 3.26Å; K319-K323 PolarHBondContact O-N 2.78Å; K319-H341 VanDerWaalsContact CA-ND1 3.3Å; K319-H341 WeakPolarHBondContact CA-ND1 3.25Å |
| 320 | L | 88.8 | Confident | 90.5 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -52.4 | 176.9 | 176.7 | 74.4 | 0 | 0 | 0 | 111.4 | L122 V129 E316 Y317 Y322 K323 I324 | L122-L320 HydrophobicContact CD2-CB 4.46Å; L122-L320 HydrophobicContact CD2-CD1 3.91Å; L122-L320 HydrophobicContact CD2-CD2 3.12Å; L122-L320 HydrophobicContact CD2-CG 3.96Å; V129-L320 HydrophobicContact CG2-CD2 3.57Å; V129-L320 HydrophobicContact CG2-CG 4.21Å; E316-L320 PolarHBondContact O-N 3.15Å; Y317-L320 PolarHBondContact O-N 3.36Å; L320-Y322 VanDerWaalsContact C-N 3.28Å; L320-Y322 PolarHBondContact O-N 3.47Å; L320-K323 WeakPolarHBondContact O-CB 3.41Å; L320-K323 PolarHBondContact O-N 2.83Å; L320-K323 VanDerWaalsContact O-N 3.09Å; L320-I324 HydrophobicContact CD1-CD1 4.15Å; L320-I324 HydrophobicContact CD2-CD1 4.43Å; L320-I324 HydrophobicContact CG-CD1 3.92Å; L320-I324 WeakPolarHBondContact O-CG1 3.35Å; L320-I324 PolarHBondContact O-N 2.78Å |
| 321 | I | 92.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | -178.6 | -69.7 | 172.5 | 0 | 0 | 0 | 109.2 | I203 V206 L238 Y317 K323 I324 L325 F337 | I203-I321 HydrophobicContact CG2-CD1 4.12Å; V206-I321 HydrophobicContact CG2-CD1 4.03Å; L238-I321 HydrophobicContact CD2-CB 4.49Å; L238-I321 HydrophobicContact CD2-CD1 3.72Å; L238-I321 HydrophobicContact CD2-CG1 3.87Å; L238-I321 HydrophobicContact CD2-CG2 3.82Å; Y317-I321 WeakPolarHBondContact O-CB 3.41Å; Y317-I321 VanDerWaalsContact O-CG1 3.31Å; Y317-I321 WeakPolarHBondContact O-CG1 3.28Å; Y317-I321 PolarHBondContact O-N 3.28Å; I321-K323 VanDerWaalsContact C-N 3.34Å; I321-K323 PolarHBondContact O-N 2.87Å; I321-I324 PolarHBondContact O-N 2.83Å; I321-L325 HydrophobicContact CG2-CD1 3.67Å; I321-L325 HydrophobicContact CG2-CG 4.13Å; I321-L325 WeakPolarHBondContact O-CB 3.41Å; I321-L325 VanDerWaalsContact O-CG 3.23Å; I321-L325 WeakPolarHBondContact O-CG 3.26Å; I321-L325 PolarHBondContact O-N 2.9Å; I321-F337 HydrophobicContact CG2-CB 4.03Å; I321-F337 HydrophobicContact CG2-CD2 3.84Å; I321-F337 HydrophobicContact CG2-CG 4.25Å |
| 322 | Y | 95 | Very high | 92.1 | Very high | 64 Ų | 64 | 55 Ų | 55 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 175.9 | -180 | -101.3 | 0 | 0 | 0 | 113.2 | A318 L320 I324 L325 T326 T331 T338 H341 | A318-Y322 VanDerWaalsContact O-CB 3.27Å; A318-Y322 WeakPolarHBondContact O-CB 3.37Å; A318-Y322 PolarHBondContact O-N 3.07Å; L320-Y322 VanDerWaalsContact C-N 3.28Å; L320-Y322 PolarHBondContact O-N 3.47Å; Y322-I324 PolarHBondContact O-N 3.26Å; Y322-L325 PolarHBondContact O-N 3.45Å; Y322-T326 VanDerWaalsContact O-CB 3.28Å; Y322-T326 WeakPolarHBondContact O-CB 3.48Å; Y322-T326 PolarHBondContact O-N 2.88Å; Y322-T326 PolarHBondContact O-OG1 2.8Å; Y322-T331 HydrophobicContact CD2-CG2 4.18Å; Y322-T331 HydrophobicContact CE2-CG2 3.96Å; Y322-T338 HydrophobicContact CD2-CG2 3.96Å; Y322-T338 HydrophobicContact CE2-CG2 3.77Å; Y322-H341 VanDerWaalsContact CB-CD2 3.47Å; Y322-H341 WeakPolarHBondContact CB-CD2 3.3Å; Y322-H341 VanDerWaalsContact CB-CG 3.5Å; Y322-H341 AromaticContact CD1-CD2 3.16Å; Y322-H341 WeakPolarHBondContact CD1-CD2 3.39Å; Y322-H341 AromaticContact CD1-NE2 3.29Å; Y322-H341 VanDerWaalsContact CD1-NE2 3.29Å; Y322-H341 WeakPolarHBondContact CD1-NE2 3.44Å; Y322-H341 HydrophobicContact CD2-CB 4.39Å; Y322-H341 AromaticContact CD2-CD2 3.66Å; Y322-H341 AromaticContact CE1-CD2 3.72Å; Y322-H341 AromaticContact CE1-NE2 3.8Å; Y322-H341 HydrophobicContact CG-CB 4.17Å; Y322-H341 AromaticContact CG-CD2 3.11Å; Y322-H341 AromaticContact CG-CG 3.69Å; Y322-H341 AromaticContact CG-NE2 3.75Å |
| 323 | K | 92.7 | Very high | 92.8 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 177 | -169.9 | -177.6 | -167.1 | -176.5 | 0 | 111.8 | N127 K319 L320 I321 T327 | N127-K323 WeakPolarHBondContact OD1-CE 3.21Å; N127-K323 PolarHBondContact OD1-NZ 3.2Å; K319-K323 WeakPolarHBondContact O-CB 3.26Å; K319-K323 PolarHBondContact O-N 2.78Å; L320-K323 WeakPolarHBondContact O-CB 3.41Å; L320-K323 PolarHBondContact O-N 2.83Å; L320-K323 VanDerWaalsContact O-N 3.09Å; I321-K323 VanDerWaalsContact C-N 3.34Å; I321-K323 PolarHBondContact O-N 2.87Å; K323-T327 WeakPolarHBondContact O-CB 3.32Å; K323-T327 PolarHBondContact O-N 2.82Å; K323-T327 PolarHBondContact O-OG1 2.91Å |
| 324 | I | 91.5 | Very high | 93.3 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -49.9 | 178.8 | -66.8 | 168.1 | 0 | 0 | 0 | 110.4 | V129 L242 L320 I321 Y322 T326 T327 R328 | V129-I324 HydrophobicContact CG2-CD1 3.19Å; L242-I324 HydrophobicContact CD2-CD1 4.21Å; L242-I324 HydrophobicContact CD2-CG2 3.97Å; L320-I324 HydrophobicContact CD1-CD1 4.15Å; L320-I324 HydrophobicContact CD2-CD1 4.43Å; L320-I324 HydrophobicContact CG-CD1 3.92Å; L320-I324 WeakPolarHBondContact O-CG1 3.35Å; L320-I324 PolarHBondContact O-N 2.78Å; I321-I324 PolarHBondContact O-N 2.83Å; Y322-I324 PolarHBondContact O-N 3.26Å; I324-T326 VanDerWaalsContact C-N 3.28Å; I324-T326 PolarHBondContact O-N 3.36Å; I324-T327 PolarHBondContact O-N 3.37Å; I324-R328 WeakPolarHBondContact O-CG 3.5Å; I324-R328 PolarHBondContact O-N 3.04Å |
| 325 | L | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 179 | -68.1 | 176.8 | 0 | 0 | 0 | 111.9 | L238 I321 Y322 R328 H329 R330 T331 F334 | L238-L325 HydrophobicContact CD1-CD2 4.2Å; I321-L325 HydrophobicContact CG2-CD1 3.67Å; I321-L325 HydrophobicContact CG2-CG 4.13Å; I321-L325 WeakPolarHBondContact O-CB 3.41Å; I321-L325 VanDerWaalsContact O-CG 3.23Å; I321-L325 WeakPolarHBondContact O-CG 3.26Å; I321-L325 PolarHBondContact O-N 2.9Å; Y322-L325 PolarHBondContact O-N 3.45Å; L325-R328 CarbonylContact O-C 3.51Å; L325-R328 PolarHBondContact O-N 3.46Å; L325-H329 PolarHBondContact O-N 3.41Å; L325-R330 HydrophobicContact CD2-CB 3.89Å; L325-R330 PolarHBondContact O-N 2.94Å; L325-T331 HydrophobicContact CB-CG2 3.86Å; L325-F334 HydrophobicContact CD1-CB 3.6Å; L325-F334 HydrophobicContact CD1-CD2 3.95Å; L325-F334 HydrophobicContact CD1-CG 3.85Å; L325-F334 HydrophobicContact CD2-CD2 3.28Å; L325-F334 HydrophobicContact CD2-CE2 3.43Å; L325-F334 VanDerWaalsContact CD2-CE2 3.43Å; L325-F334 HydrophobicContact CD2-CG 3.93Å; L325-F334 HydrophobicContact CD2-CZ 4.19Å; L325-F334 HydrophobicContact CG-CD2 4.22Å |
| 326 | T | 95 | Very high | 94 | Very high | 60 Ų | 60 | 54.2 Ų | 54.2 | 37% | 0.368 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 176.1 | -60.8 | 0 | 0 | 0 | 0 | 111 | Y322 I324 R328 H329 T331 | Y322-T326 VanDerWaalsContact O-CB 3.28Å; Y322-T326 WeakPolarHBondContact O-CB 3.48Å; Y322-T326 PolarHBondContact O-N 2.88Å; Y322-T326 PolarHBondContact O-OG1 2.8Å; I324-T326 VanDerWaalsContact C-N 3.28Å; I324-T326 PolarHBondContact O-N 3.36Å; T326-R328 PolarHBondContact O-N 2.78Å; T326-H329 PolarHBondContact O-N 2.89Å; T326-H329 VanDerWaalsContact O-N 3.08Å; T326-T331 WeakPolarHBondContact OG1-CG2 3.37Å |
| 327 | T | 91.8 | Very high | 94.5 | Very high | 89 Ų | 89 | 49.2 Ų | 49.2 | 55% | 0.546 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -30.5 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 112 | K323 I324 | K323-T327 WeakPolarHBondContact O-CB 3.32Å; K323-T327 PolarHBondContact O-N 2.82Å; K323-T327 PolarHBondContact O-OG1 2.91Å; I324-T327 PolarHBondContact O-N 3.37Å |
| 328 | R | 92.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 49.5 Ų | 49.5 | 39% | 0.389 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -0.7 | 179.3 | -64.9 | 177.8 | 178.3 | 176.8 | -6.3 | 114.2 | E241 I324 L325 T326 R330 | E241-R328 PolarHBondContact O-NH1 2.97Å; E241-R328 WeakPolarHBondContact OE1-CD 3.37Å; E241-R328 IonicContact OE1-NH1 2.88Å; E241-R328 PolarHBondContact OE1-NH1 2.75Å; I324-R328 WeakPolarHBondContact O-CG 3.5Å; I324-R328 PolarHBondContact O-N 3.04Å; L325-R328 CarbonylContact O-C 3.51Å; L325-R328 PolarHBondContact O-N 3.46Å; T326-R328 PolarHBondContact O-N 2.78Å; R328-R330 VanDerWaalsContact C-N 3.27Å; R328-R330 HydrophobicContact CB-CB 4.37Å; R328-R330 HydrophobicContact CB-CG 3.71Å; R328-R330 WeakPolarHBondContact O-CG 3.35Å; R328-R330 PolarHBondContact O-N 2.74Å |
| 329 | H | 95.7 | Very high | 95.1 | Very high | 175 Ų | 175 | 49.6 Ų | 49.6 | 81% | 0.81 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 37.1 | -172.3 | -53.1 | -70.2 | 0 | 0 | 0 | 113.9 | L325 T326 | L325-H329 PolarHBondContact O-N 3.41Å; T326-H329 PolarHBondContact O-N 2.89Å; T326-H329 VanDerWaalsContact O-N 3.08Å |
| 330 | R | 96.3 | Very high | 95.4 | Very high | 89 Ų | 89 | 43.6 Ų | 43.6 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | trans | -110.4 | -1.2 | -174.3 | -63.2 | -68.9 | -71.4 | 165.5 | 2.2 | 114.2 | E241 L325 R328 A332 H333 F334 | E241-R330 IonicContact OE2-CZ 3.67Å; E241-R330 IonicContact OE2-NE 2.72Å; E241-R330 PolarHBondContact OE2-NE 3.43Å; E241-R330 IonicContact OE2-NH2 3.68Å; E241-R330 PolarHBondContact OE2-NH2 2.76Å; L325-R330 HydrophobicContact CD2-CB 3.89Å; L325-R330 PolarHBondContact O-N 2.94Å; R328-R330 VanDerWaalsContact C-N 3.27Å; R328-R330 HydrophobicContact CB-CB 4.37Å; R328-R330 HydrophobicContact CB-CG 3.71Å; R328-R330 WeakPolarHBondContact O-CG 3.35Å; R328-R330 PolarHBondContact O-N 2.74Å; R330-A332 PolarHBondContact O-N 3.12Å; R330-A332 VanDerWaalsContact O-N 3.12Å; R330-H333 PolarHBondContact NH2-CD2 2.85Å; R330-H333 PolarHBondContact NH2-NE2 3.42Å; R330-H333 WeakPolarHBondContact O-CA 3.42Å; R330-H333 VanDerWaalsContact O-CB 3.29Å; R330-H333 WeakPolarHBondContact O-CB 3.32Å; R330-H333 PolarHBondContact O-N 3.07Å; R330-F334 HydrophobicContact CB-CD2 4.34Å; R330-F334 HydrophobicContact CB-CE2 4.16Å; R330-F334 WeakPolarHBondContact O-CD2 3.46Å | ||
| 331 | T | 97 | Very high | 95.8 | Very high | 43 Ų | 43 | 43 Ų | 43 | 26% | 0.264 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -53.8 | -36.7 | -176.3 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | Y322 L325 T326 H333 F334 T338 | Y322-T331 HydrophobicContact CD2-CG2 4.18Å; Y322-T331 HydrophobicContact CE2-CG2 3.96Å; L325-T331 HydrophobicContact CB-CG2 3.86Å; T326-T331 WeakPolarHBondContact OG1-CG2 3.37Å; T331-H333 PolarHBondContact O-N 3.38Å; T331-F334 CarbonylContact O-C 3.45Å; T331-F334 PolarHBondContact O-N 3.39Å; T331-T338 PolarHBondContact O-OG1 2.98Å |
| 332 | A | 96.1 | Very high | 96 | Very high | 85 Ų | 85 | 47 Ų | 47 | 70% | 0.702 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -65.4 | -21 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R330 | R330-A332 PolarHBondContact O-N 3.12Å; R330-A332 VanDerWaalsContact O-N 3.12Å |
| 333 | H | 97 | Very high | 96 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 21% | 0.213 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -85.8 | -15.1 | 178.2 | -161.5 | 71.4 | 0 | 0 | 0 | 113.1 | W233 R330 T331 P335 | W233-H333 AromaticContact CH2-CD2 3.95Å; W233-H333 AromaticContact CH2-CE1 3.72Å; W233-H333 AromaticContact CH2-NE2 3.46Å; W233-H333 WeakPolarHBondContact CH2-NE2 3.18Å; R330-H333 PolarHBondContact NH2-CD2 2.85Å; R330-H333 PolarHBondContact NH2-NE2 3.42Å; R330-H333 WeakPolarHBondContact O-CA 3.42Å; R330-H333 VanDerWaalsContact O-CB 3.29Å; R330-H333 WeakPolarHBondContact O-CB 3.32Å; R330-H333 PolarHBondContact O-N 3.07Å; T331-H333 PolarHBondContact O-N 3.38Å; H333-P335 VanDerWaalsContact C-CD 3.41Å |
| 334 | F | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -128 | 61.8 | -179.5 | -59.4 | -94.4 | 0 | 0 | 0 | 110.7 | E234 E237 L238 E241 L325 R330 T331 L336 F337 T338 | E234-F334 HydrophobicContact CB-CD1 3.94Å; E234-F334 VanDerWaalsContact CD-CA 3.48Å; E234-F334 HydrophobicContact CG-CD1 3.98Å; E234-F334 WeakPolarHBondContact O-CE1 3.35Å; E234-F334 WeakPolarHBondContact OE1-CA 3.47Å; E237-F334 HydrophobicContact CB-CE1 3.76Å; E237-F334 HydrophobicContact CB-CZ 3.96Å; L238-F334 HydrophobicContact CB-CE1 3.84Å; L238-F334 HydrophobicContact CB-CZ 4.41Å; E241-F334 WeakPolarHBondContact OE2-CE2 3.5Å; L325-F334 HydrophobicContact CD1-CB 3.6Å; L325-F334 HydrophobicContact CD1-CD2 3.95Å; L325-F334 HydrophobicContact CD1-CG 3.85Å; L325-F334 HydrophobicContact CD2-CD2 3.28Å; L325-F334 HydrophobicContact CD2-CE2 3.43Å; L325-F334 VanDerWaalsContact CD2-CE2 3.43Å; L325-F334 HydrophobicContact CD2-CG 3.93Å; L325-F334 HydrophobicContact CD2-CZ 4.19Å; L325-F334 HydrophobicContact CG-CD2 4.22Å; R330-F334 HydrophobicContact CB-CD2 4.34Å; R330-F334 HydrophobicContact CB-CE2 4.16Å; R330-F334 WeakPolarHBondContact O-CD2 3.46Å; T331-F334 CarbonylContact O-C 3.45Å; T331-F334 PolarHBondContact O-N 3.39Å; F334-L336 VanDerWaalsContact C-N 3.28Å; F334-L336 PolarHBondContact O-N 3.01Å; F334-F337 HydrophobicContact CB-CB 4.42Å; F334-F337 HydrophobicContact CB-CD2 4.49Å; F334-F337 HydrophobicContact CD1-CD2 4.12Å; F334-F337 HydrophobicContact CD1-CE2 4.43Å; F334-T338 WeakPolarHBondContact O-CB 3.45Å; F334-T338 PolarHBondContact O-N 2.86Å; F334-T338 PolarHBondContact O-OG1 3.17Å | ||
| 335 | P | 98.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.1 | -25.4 | -174.3 | 26.3 | -32.5 | 0 | 0 | 0 | 113.3 | E234 H333 G339 C356 H360 | E234-P335 WeakPolarHBondContact OE1-CD 3.41Å; E234-P335 VanDerWaalsContact OE1-N 3.12Å; H333-P335 VanDerWaalsContact C-CD 3.41Å; P335-G339 WeakPolarHBondContact O-CA 3.34Å; P335-G339 PolarHBondContact O-N 3.09Å; P335-C356 HydrophobicContact CB-CB 4.24Å; P335-C356 WeakPolarHBondContact CG-O 3.21Å; P335-C356 WeakPolarHBondContact O-CB 3.25Å; P335-H360 HydrophobicContact CG-CB 4.07Å; P335-H360 VanDerWaalsContact CG-CD2 3.48Å; P335-H360 WeakPolarHBondContact CG-CD2 3.34Å |
| 336 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68 | -55.9 | 174.3 | 177.6 | 63.2 | 0 | 0 | 0 | 110.7 | A210 I230 E234 F334 T338 G339 V340 L353 L357 | A210-L336 HydrophobicContact CB-CD1 3.59Å; A210-L336 HydrophobicContact CB-CG 4.43Å; I230-L336 HydrophobicContact CB-CD2 4.37Å; I230-L336 HydrophobicContact CG2-CB 4.02Å; I230-L336 HydrophobicContact CG2-CD2 3.86Å; E234-L336 VanDerWaalsContact CD-CB 3.49Å; E234-L336 WeakPolarHBondContact OE1-CB 3.38Å; E234-L336 PolarHBondContact OE1-N 3.3Å; E234-L336 WeakPolarHBondContact OE2-CB 3.22Å; F334-L336 VanDerWaalsContact C-N 3.28Å; F334-L336 PolarHBondContact O-N 3.01Å; L336-T338 VanDerWaalsContact C-N 3.32Å; L336-T338 PolarHBondContact O-N 3.14Å; L336-G339 PolarHBondContact O-N 3.19Å; L336-V340 HydrophobicContact CD1-CG2 4.39Å; L336-V340 WeakPolarHBondContact O-CG2 3.4Å; L336-V340 PolarHBondContact O-N 3.12Å; L336-L353 HydrophobicContact CD1-CD1 3.87Å; L336-L357 HydrophobicContact CD1-CD2 3.95Å |
| 337 | F | 98 | Very high | 96 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.9 | -66.9 | -14.8 | 0 | 0 | 0 | 112.1 | I203 V206 V207 E234 M235 L238 I321 F334 V340 H341 | I203-F337 HydrophobicContact CG2-CE1 4.14Å; I203-F337 HydrophobicContact CG2-CE2 3.88Å; I203-F337 HydrophobicContact CG2-CZ 3.43Å; I203-F337 VanDerWaalsContact CG2-CZ 3.43Å; V206-F337 HydrophobicContact CB-CD1 4.25Å; V206-F337 HydrophobicContact CB-CE1 4.43Å; V206-F337 HydrophobicContact CG1-CB 4.45Å; V206-F337 HydrophobicContact CG1-CD1 3.66Å; V206-F337 HydrophobicContact CG1-CE1 4.3Å; V206-F337 HydrophobicContact CG1-CG 4.31Å; V207-F337 HydrophobicContact CG2-CE1 3.74Å; V207-F337 HydrophobicContact CG2-CZ 4.45Å; E234-F337 HydrophobicContact CB-CD1 4.46Å; E234-F337 HydrophobicContact CB-CD2 4.03Å; E234-F337 HydrophobicContact CB-CE1 4.07Å; E234-F337 HydrophobicContact CB-CE2 3.61Å; E234-F337 HydrophobicContact CB-CG 4.44Å; E234-F337 HydrophobicContact CB-CZ 3.63Å; E234-F337 WeakPolarHBondContact O-CE2 3.3Å; E234-F337 WeakPolarHBondContact OE2-CB 3.35Å; E234-F337 WeakPolarHBondContact OE2-CD1 3.4Å; E234-F337 WeakPolarHBondContact OE2-CD2 3.08Å; E234-F337 WeakPolarHBondContact OE2-CG 3.33Å; E234-F337 PolarHBondContact OE2-N 3.35Å; M235-F337 HydrophobicContact CG-CZ 3.89Å; L238-F337 HydrophobicContact CB-CE2 4.15Å; L238-F337 HydrophobicContact CD2-CD2 4.02Å; L238-F337 HydrophobicContact CD2-CE2 3.68Å; I321-F337 HydrophobicContact CG2-CB 4.03Å; I321-F337 HydrophobicContact CG2-CD2 3.84Å; I321-F337 HydrophobicContact CG2-CG 4.25Å; F334-F337 HydrophobicContact CB-CB 4.42Å; F334-F337 HydrophobicContact CB-CD2 4.49Å; F334-F337 HydrophobicContact CD1-CD2 4.12Å; F334-F337 HydrophobicContact CD1-CE2 4.43Å; F337-V340 PolarHBondContact O-N 2.84Å; F337-H341 PolarHBondContact O-N 2.91Å; F337-H341 VanDerWaalsContact O-N 3.08Å |
| 338 | T | 98.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | Y322 T331 F334 L336 H341 R342 | Y322-T338 HydrophobicContact CD2-CG2 3.96Å; Y322-T338 HydrophobicContact CE2-CG2 3.77Å; T331-T338 PolarHBondContact O-OG1 2.98Å; F334-T338 WeakPolarHBondContact O-CB 3.45Å; F334-T338 PolarHBondContact O-N 2.86Å; F334-T338 PolarHBondContact O-OG1 3.17Å; L336-T338 VanDerWaalsContact C-N 3.32Å; L336-T338 PolarHBondContact O-N 3.14Å; T338-H341 PolarHBondContact O-N 2.88Å; T338-R342 WeakPolarHBondContact O-CG 3.47Å; T338-R342 PolarHBondContact O-N 2.93Å; T338-R342 VanDerWaalsContact O-N 3.08Å |
| 339 | G | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | P335 L336 H341 R342 I343 | P335-G339 WeakPolarHBondContact O-CA 3.34Å; P335-G339 PolarHBondContact O-N 3.09Å; L336-G339 PolarHBondContact O-N 3.19Å; G339-H341 VanDerWaalsContact C-N 3.35Å; G339-H341 PolarHBondContact O-N 3.16Å; G339-R342 PolarHBondContact O-N 2.89Å; G339-I343 VanDerWaalsContact O-CG1 3.25Å; G339-I343 WeakPolarHBondContact O-CG1 3.43Å; G339-I343 PolarHBondContact O-N 3.3Å |
| 340 | V | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.5 | -47.3 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | V206 I209 A210 A318 L336 F337 R342 I343 C344 | V206-V340 HydrophobicContact CG1-CB 3.91Å; V206-V340 HydrophobicContact CG1-CG1 3.73Å; V206-V340 HydrophobicContact CG1-CG2 4.27Å; I209-V340 HydrophobicContact CB-CG1 3.96Å; I209-V340 HydrophobicContact CD1-CG1 4.47Å; I209-V340 HydrophobicContact CG2-CG1 3.7Å; A210-V340 HydrophobicContact CB-CG2 3.62Å; A318-V340 HydrophobicContact CB-CG1 4.14Å; L336-V340 HydrophobicContact CD1-CG2 4.39Å; L336-V340 WeakPolarHBondContact O-CG2 3.4Å; L336-V340 PolarHBondContact O-N 3.12Å; F337-V340 PolarHBondContact O-N 2.84Å; V340-R342 PolarHBondContact O-N 3.47Å; V340-I343 PolarHBondContact O-N 3.42Å; V340-C344 PolarHBondContact O-N 2.72Å; V340-C344 PolarHBondContact O-SG 2.95Å |
| 341 | H | 96.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.4 | -51.5 | 177.2 | 174 | 61 | 0 | 0 | 0 | 111.7 | A318 K319 Y322 F337 T338 G339 I343 C344 Q345 | A318-H341 HydrophobicContact CB-CB 4.17Å; K319-H341 VanDerWaalsContact CA-ND1 3.3Å; K319-H341 WeakPolarHBondContact CA-ND1 3.25Å; Y322-H341 VanDerWaalsContact CB-CD2 3.47Å; Y322-H341 WeakPolarHBondContact CB-CD2 3.3Å; Y322-H341 VanDerWaalsContact CB-CG 3.5Å; Y322-H341 AromaticContact CD1-CD2 3.16Å; Y322-H341 WeakPolarHBondContact CD1-CD2 3.39Å; Y322-H341 AromaticContact CD1-NE2 3.29Å; Y322-H341 VanDerWaalsContact CD1-NE2 3.29Å; Y322-H341 WeakPolarHBondContact CD1-NE2 3.44Å; Y322-H341 HydrophobicContact CD2-CB 4.39Å; Y322-H341 AromaticContact CD2-CD2 3.66Å; Y322-H341 AromaticContact CE1-CD2 3.72Å; Y322-H341 AromaticContact CE1-NE2 3.8Å; Y322-H341 HydrophobicContact CG-CB 4.17Å; Y322-H341 AromaticContact CG-CD2 3.11Å; Y322-H341 AromaticContact CG-CG 3.69Å; Y322-H341 AromaticContact CG-NE2 3.75Å; F337-H341 PolarHBondContact O-N 2.91Å; F337-H341 VanDerWaalsContact O-N 3.08Å; T338-H341 PolarHBondContact O-N 2.88Å; G339-H341 VanDerWaalsContact C-N 3.35Å; G339-H341 PolarHBondContact O-N 3.16Å; H341-I343 VanDerWaalsContact C-N 3.29Å; H341-I343 PolarHBondContact O-N 3.01Å; H341-C344 WeakPolarHBondContact O-CA 3.35Å; H341-C344 WeakPolarHBondContact O-CB 3.4Å; H341-C344 PolarHBondContact O-N 3.23Å; H341-Q345 WeakPolarHBondContact CE1-CG 3.36Å; H341-Q345 WeakPolarHBondContact O-CG 3.49Å; H341-Q345 PolarHBondContact O-N 3.36Å |
| 342 | R | 97.2 | Very high | 96.2 | Very high | 89 Ų | 89 | 46.5 Ų | 46.5 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -34.7 | -177.8 | -67.6 | 176.4 | 64.9 | -160.8 | -6.8 | 112.3 | T338 G339 V340 Q345 N346 E347 L348 | T338-R342 WeakPolarHBondContact O-CG 3.47Å; T338-R342 PolarHBondContact O-N 2.93Å; T338-R342 VanDerWaalsContact O-N 3.08Å; G339-R342 PolarHBondContact O-N 2.89Å; V340-R342 PolarHBondContact O-N 3.47Å; R342-Q345 PolarHBondContact O-N 3.36Å; R342-N346 PolarHBondContact O-N 2.8Å; R342-E347 HydrophobicContact CB-CB 4.16Å; R342-E347 PolarHBondContact O-N 3.23Å; R342-L348 HydrophobicContact CB-CB 3.64Å; R342-L348 PolarHBondContact O-N 3.45Å |
| 343 | I | 95.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 171.6 | -67.7 | 162.9 | 0 | 0 | 0 | 110.4 | V213 L291 G339 V340 H341 Q345 N346 L348 P350 L353 | V213-I343 HydrophobicContact CG2-CG2 4.41Å; L291-I343 HydrophobicContact CB-CG2 4.26Å; L291-I343 HydrophobicContact CD1-CG2 4.27Å; G339-I343 VanDerWaalsContact O-CG1 3.25Å; G339-I343 WeakPolarHBondContact O-CG1 3.43Å; G339-I343 PolarHBondContact O-N 3.3Å; V340-I343 PolarHBondContact O-N 3.42Å; H341-I343 VanDerWaalsContact C-N 3.29Å; H341-I343 PolarHBondContact O-N 3.01Å; I343-Q345 PolarHBondContact O-N 3.37Å; I343-N346 PolarHBondContact O-N 3.15Å; I343-L348 WeakPolarHBondContact CA-O 3.37Å; I343-L348 HydrophobicContact CD1-CD2 4.42Å; I343-L348 HydrophobicContact CG1-CB 4.11Å; I343-L348 HydrophobicContact CG1-CD2 4.1Å; I343-L348 HydrophobicContact CG1-CG 4.34Å; I343-P350 HydrophobicContact CG2-CG 4.18Å; I343-L353 HydrophobicContact CD1-CB 3.94Å; I343-L353 HydrophobicContact CD1-CD1 4.17Å |
| 344 | C | 93.6 | Very high | 96.3 | Very high | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.122 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -25.7 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | V315 V340 H341 | V315-C344 HydrophobicContact CG1-CB 3.86Å; V315-C344 HydrophobicContact CG2-CB 4.45Å; V340-C344 PolarHBondContact O-N 2.72Å; V340-C344 PolarHBondContact O-SG 2.95Å; H341-C344 WeakPolarHBondContact O-CA 3.35Å; H341-C344 WeakPolarHBondContact O-CB 3.4Å; H341-C344 PolarHBondContact O-N 3.23Å |
| 345 | Q | 93.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1.9 | 174.8 | -59.2 | -47 | -76.2 | 0 | 0 | 113.8 | H341 R342 I343 E347 | H341-Q345 WeakPolarHBondContact CE1-CG 3.36Å; H341-Q345 WeakPolarHBondContact O-CG 3.49Å; H341-Q345 PolarHBondContact O-N 3.36Å; R342-Q345 PolarHBondContact O-N 3.36Å; I343-Q345 PolarHBondContact O-N 3.37Å; Q345-E347 HydrophobicContact CB-CG 3.85Å; Q345-E347 PolarHBondContact O-N 2.88Å |
| 346 | N | 91 | Very high | 96.3 | Very high | 145 Ų | 145 | 47.4 Ų | 47.4 | 78% | 0.775 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 24.6 | -171.3 | -57.8 | -62.6 | 0 | 0 | 0 | 114.4 | R342 I343 | R342-N346 PolarHBondContact O-N 2.8Å; I343-N346 PolarHBondContact O-N 3.15Å |
| 347 | E | 94.3 | Very high | 96.2 | Very high | 111 Ų | 111 | 47.9 Ų | 47.9 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -91.3 | -12.7 | 176 | -64.4 | 176.4 | 177 | 0 | 0 | 113 | R342 Q345 | R342-E347 HydrophobicContact CB-CB 4.16Å; R342-E347 PolarHBondContact O-N 3.23Å; Q345-E347 HydrophobicContact CB-CG 3.85Å; Q345-E347 PolarHBondContact O-N 2.88Å |
| 348 | L | 95.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -138.8 | 133.2 | 177.9 | -169.1 | 76 | 0 | 0 | 0 | 107.9 | R342 I343 E352 | R342-L348 HydrophobicContact CB-CB 3.64Å; R342-L348 PolarHBondContact O-N 3.45Å; I343-L348 WeakPolarHBondContact CA-O 3.37Å; I343-L348 HydrophobicContact CD1-CD2 4.42Å; I343-L348 HydrophobicContact CG1-CB 4.11Å; I343-L348 HydrophobicContact CG1-CD2 4.1Å; I343-L348 HydrophobicContact CG1-CG 4.34Å; L348-E352 HydrophobicContact CD1-CB 3.69Å; L348-E352 VanDerWaalsContact CD1-CD 3.44Å; L348-E352 HydrophobicContact CD1-CG 4.2Å; L348-E352 VanDerWaalsContact CD1-OE1 3.32Å; L348-E352 WeakPolarHBondContact CD1-OE1 3.48Å; L348-E352 HydrophobicContact CD2-CB 4.1Å; L348-E352 HydrophobicContact CG-CB 3.71Å; L348-E352 HydrophobicContact CG-CG 4.48Å |
| 349 | K | 95.1 | Very high | 96 | Very high | 143 Ų | 143 | 55 Ų | 55 | 62% | 0.622 | 29% | 0.29 | S | S | * | . | trans | -69.4 | 145.3 | 176.5 | -62.6 | 179 | -178.1 | 174.7 | 0 | 109.4 | Q351 E352 | K349-Q351 PolarHBondContact O-N 2.83Å; K349-E352 HydrophobicContact CB-CG 4.22Å; K349-E352 VanDerWaalsContact CB-OE2 3.3Å; K349-E352 WeakPolarHBondContact CB-OE2 2.87Å; K349-E352 WeakPolarHBondContact CG-OE2 3.32Å; K349-E352 PolarHBondContact N-OE2 3Å; K349-E352 WeakPolarHBondContact O-CB 3.46Å; K349-E352 PolarHBondContact O-N 3.1Å | ||
| 350 | P | 95.7 | Very high | 96 | Very high | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.143 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -51.3 | -36 | 177.1 | -27.4 | 33.2 | 0 | 0 | 0 | 113.8 | V213 L217 L291 I343 E352 L353 | V213-P350 HydrophobicContact CG1-CB 3.98Å; L217-P350 HydrophobicContact CD1-CB 4.17Å; L217-P350 WeakPolarHBondContact CD1-O 3.45Å; L217-P350 HydrophobicContact CD2-CB 4.31Å; L217-P350 HydrophobicContact CG-CB 4.44Å; L291-P350 WeakPolarHBondContact O-CG 3.49Å; I343-P350 HydrophobicContact CG2-CG 4.18Å; P350-E352 PolarHBondContact O-N 3.21Å; P350-L353 VanDerWaalsContact O-CB 3.23Å; P350-L353 WeakPolarHBondContact O-CB 3.45Å; P350-L353 PolarHBondContact O-N 3.1Å; P350-L353 VanDerWaalsContact O-N 3.15Å |
| 351 | Q | 96 | Very high | 95.9 | Very high | 100 Ų | 100 | 56.8 Ų | 56.8 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -62.6 | -27.7 | 179 | -65.1 | 79.3 | 8.3 | 0 | 0 | 113.2 | L217 K349 L353 L354 | L217-Q351 HydrophobicContact CD1-CG 4.5Å; L217-Q351 HydrophobicContact CD2-CG 4.04Å; K349-Q351 PolarHBondContact O-N 2.83Å; Q351-L353 PolarHBondContact O-N 3.18Å; Q351-L354 PolarHBondContact O-N 3.03Å |
| 352 | E | 97 | Very high | 95.7 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -75.6 | -7.7 | -179.6 | -60.8 | 175.1 | 81.4 | 0 | 0 | 112.2 | L348 K349 P350 L354 S355 C356 | L348-E352 HydrophobicContact CD1-CB 3.69Å; L348-E352 VanDerWaalsContact CD1-CD 3.44Å; L348-E352 HydrophobicContact CD1-CG 4.2Å; L348-E352 VanDerWaalsContact CD1-OE1 3.32Å; L348-E352 WeakPolarHBondContact CD1-OE1 3.48Å; L348-E352 HydrophobicContact CD2-CB 4.1Å; L348-E352 HydrophobicContact CG-CB 3.71Å; L348-E352 HydrophobicContact CG-CG 4.48Å; K349-E352 HydrophobicContact CB-CG 4.22Å; K349-E352 VanDerWaalsContact CB-OE2 3.3Å; K349-E352 WeakPolarHBondContact CB-OE2 2.87Å; K349-E352 WeakPolarHBondContact CG-OE2 3.32Å; K349-E352 PolarHBondContact N-OE2 3Å; K349-E352 WeakPolarHBondContact O-CB 3.46Å; K349-E352 PolarHBondContact O-N 3.1Å; P350-E352 PolarHBondContact O-N 3.21Å; E352-L354 PolarHBondContact O-N 3.49Å; E352-S355 WeakPolarHBondContact O-CA 3.05Å; E352-S355 VanDerWaalsContact O-CB 3.31Å; E352-S355 WeakPolarHBondContact O-CB 3.45Å; E352-S355 PolarHBondContact O-N 3.49Å; E352-C356 PolarHBondContact O-N 2.71Å |
| 353 | L | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.1 | -34.5 | 168.8 | -175 | 65 | 0 | 0 | 0 | 111.5 | A210 V213 L336 I343 P350 Q351 S355 C356 L357 | A210-L353 HydrophobicContact CB-CD2 4.32Å; V213-L353 HydrophobicContact CB-CD2 3.78Å; V213-L353 HydrophobicContact CG1-CB 4.26Å; V213-L353 HydrophobicContact CG1-CD2 3.53Å; L336-L353 HydrophobicContact CD1-CD1 3.87Å; I343-L353 HydrophobicContact CD1-CB 3.94Å; I343-L353 HydrophobicContact CD1-CD1 4.17Å; P350-L353 VanDerWaalsContact O-CB 3.23Å; P350-L353 WeakPolarHBondContact O-CB 3.45Å; P350-L353 PolarHBondContact O-N 3.1Å; P350-L353 VanDerWaalsContact O-N 3.15Å; Q351-L353 PolarHBondContact O-N 3.18Å; L353-S355 VanDerWaalsContact C-N 3.27Å; L353-S355 PolarHBondContact O-N 3.28Å; L353-C356 HydrophobicContact CD1-CB 4.49Å; L353-C356 WeakPolarHBondContact O-CB 3.44Å; L353-C356 PolarHBondContact O-N 2.82Å; L353-C356 VanDerWaalsContact O-N 3.15Å; L353-L357 HydrophobicContact CG-CD1 4.49Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.47Å |
| 354 | L | 97.5 | Very high | 95.1 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 40% | 0.398 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 174.9 | -75.9 | 174.5 | 0 | 0 | 0 | 112.2 | L219 T223 Q351 E352 L357 S358 | L219-L354 HydrophobicContact CD1-CD1 4.4Å; L219-L354 HydrophobicContact CD1-CD2 3.98Å; L219-L354 HydrophobicContact CD1-CG 4.1Å; L219-L354 HydrophobicContact CD2-CD1 4.25Å; T223-L354 HydrophobicContact CG2-CD2 3.8Å; Q351-L354 PolarHBondContact O-N 3.03Å; E352-L354 PolarHBondContact O-N 3.49Å; L354-L357 PolarHBondContact O-N 3.06Å; L354-S358 WeakPolarHBondContact O-CB 3.38Å; L354-S358 PolarHBondContact O-N 3.39Å; L354-S358 PolarHBondContact O-OG 2.79Å; L354-S358 VanDerWaalsContact O-OG 3.12Å |
| 355 | S | 97.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 69.8 Ų | 69.8 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 176 | -172 | 0 | 0 | 0 | 0 | 110.9 | E352 L353 L357 S358 S359 | E352-S355 WeakPolarHBondContact O-CA 3.05Å; E352-S355 VanDerWaalsContact O-CB 3.31Å; E352-S355 WeakPolarHBondContact O-CB 3.45Å; E352-S355 PolarHBondContact O-N 3.49Å; L353-S355 VanDerWaalsContact C-N 3.27Å; L353-S355 PolarHBondContact O-N 3.28Å; S355-L357 VanDerWaalsContact C-N 3.27Å; S355-L357 PolarHBondContact O-N 3.3Å; S355-S358 WeakPolarHBondContact CA-OG 3.48Å; S355-S358 PolarHBondContact O-N 2.81Å; S355-S358 PolarHBondContact O-OG 2.58Å; S355-S359 WeakPolarHBondContact O-CB 3.27Å; S355-S359 PolarHBondContact O-N 2.89Å; S355-S359 PolarHBondContact O-OG 2.76Å |
| 356 | C | 97.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 10% | 0.101 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | P335 E352 L353 | P335-C356 HydrophobicContact CB-CB 4.24Å; P335-C356 WeakPolarHBondContact CG-O 3.21Å; P335-C356 WeakPolarHBondContact O-CB 3.25Å; E352-C356 PolarHBondContact O-N 2.71Å; L353-C356 HydrophobicContact CD1-CB 4.49Å; L353-C356 WeakPolarHBondContact O-CB 3.44Å; L353-C356 PolarHBondContact O-N 2.82Å; L353-C356 VanDerWaalsContact O-N 3.15Å |
| 357 | L | 97.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.2 | -47.9 | 176.4 | -63.1 | 171.2 | 0 | 0 | 0 | 111.5 | T223 V227 I230 L336 L353 L354 S355 S359 H360 H363 | T223-L357 HydrophobicContact CG2-CD1 4.04Å; V227-L357 HydrophobicContact CG2-CD1 3.77Å; V227-L357 HydrophobicContact CG2-CD2 3.97Å; I230-L357 HydrophobicContact CD1-CB 4.35Å; I230-L357 HydrophobicContact CD1-CD2 3.72Å; I230-L357 HydrophobicContact CG2-CD2 4.48Å; L336-L357 HydrophobicContact CD1-CD2 3.95Å; L353-L357 HydrophobicContact CG-CD1 4.49Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.47Å; L354-L357 PolarHBondContact O-N 3.06Å; S355-L357 VanDerWaalsContact C-N 3.27Å; S355-L357 PolarHBondContact O-N 3.3Å; L357-S359 VanDerWaalsContact C-N 3.35Å; L357-S359 PolarHBondContact O-N 3.04Å; L357-H360 WeakPolarHBondContact O-CB 3.49Å; L357-H360 PolarHBondContact O-N 2.81Å; L357-H363 PolarHBondContact O-CD2 2.94Å |
| 358 | S | 96.5 | Very high | 95.5 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.7 | -30.7 | -175.5 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | L354 S355 H360 | L354-S358 WeakPolarHBondContact O-CB 3.38Å; L354-S358 PolarHBondContact O-N 3.39Å; L354-S358 PolarHBondContact O-OG 2.79Å; L354-S358 VanDerWaalsContact O-OG 3.12Å; S355-S358 WeakPolarHBondContact CA-OG 3.48Å; S355-S358 PolarHBondContact O-N 2.81Å; S355-S358 PolarHBondContact O-OG 2.58Å; S358-H360 VanDerWaalsContact C-N 3.29Å |
| 359 | S | 94.6 | Very high | 95.6 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 9.8 | 176.7 | 74.6 | 0 | 0 | 0 | 0 | 113 | S355 L357 | S355-S359 WeakPolarHBondContact O-CB 3.27Å; S355-S359 PolarHBondContact O-N 2.89Å; S355-S359 PolarHBondContact O-OG 2.76Å; L357-S359 VanDerWaalsContact C-N 3.35Å; L357-S359 PolarHBondContact O-N 3.04Å |
| 360 | H | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -66.2 | 135.3 | -175.4 | -172.8 | -75.3 | 0 | 0 | 0 | 111 | I230 W233 E234 P335 L357 S358 I362 H363 | I230-H360 HydrophobicContact CD1-CB 4.37Å; I230-H360 WeakPolarHBondContact CG2-CD2 3.39Å; W233-H360 AromaticContact CD2-CE1 3.89Å; W233-H360 AromaticContact CE3-CE1 3.26Å; W233-H360 AromaticContact CE3-NE2 3.49Å; W233-H360 AromaticContact CZ3-CE1 3.37Å; W233-H360 WeakPolarHBondContact CZ3-CE1 3.18Å; W233-H360 AromaticContact CZ3-NE2 3.59Å; E234-H360 IonicContact OE1-CD2 3.94Å; E234-H360 PolarHBondContact OE1-CD2 2.95Å; E234-H360 VanDerWaalsContact OE1-CD2 3.24Å; E234-H360 IonicContact OE1-NE2 3.08Å; E234-H360 PolarHBondContact OE1-NE2 2.77Å; P335-H360 HydrophobicContact CG-CB 4.07Å; P335-H360 VanDerWaalsContact CG-CD2 3.48Å; P335-H360 WeakPolarHBondContact CG-CD2 3.34Å; L357-H360 WeakPolarHBondContact O-CB 3.49Å; L357-H360 PolarHBondContact O-N 2.81Å; S358-H360 VanDerWaalsContact C-N 3.29Å; H360-I362 HydrophobicContact CB-CG2 4.29Å; H360-I362 VanDerWaalsContact ND1-CB 3.3Å; H360-I362 WeakPolarHBondContact ND1-CB 3.28Å; H360-I362 WeakPolarHBondContact ND1-CG2 3.42Å; H360-I362 PolarHBondContact ND1-N 2.73Å; H360-I362 VanDerWaalsContact ND1-N 3.13Å; H360-I362 PolarHBondContact O-N 3.31Å; H360-H363 PolarHBondContact O-N 2.82Å | ||
| 361 | P | 95.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 25% | 0.253 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -54.4 | -27.9 | -175.3 | -28.6 | 34.2 | 0 | 0 | 0 | 115.4 | H363 S364 | P361-H363 PolarHBondContact O-N 3.37Å; P361-S364 WeakPolarHBondContact O-CB 3.49Å; P361-S364 PolarHBondContact O-N 3.08Å |
| 362 | I | 94 | Very high | 95.6 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -57.9 | -15 | 175.4 | -155.4 | 159.3 | 0 | 0 | 0 | 115.1 | R229 I230 W233 H360 | R229-I362 VanDerWaalsContact NH2-CG2 3.34Å; I230-I362 HydrophobicContact CG1-CG2 4.47Å; W233-I362 HydrophobicContact CB-CD1 3.99Å; W233-I362 VanDerWaalsContact CD1-CD1 3.43Å; W233-I362 HydrophobicContact CD2-CD1 4.14Å; W233-I362 HydrophobicContact CG-CD1 3.56Å; H360-I362 HydrophobicContact CB-CG2 4.29Å; H360-I362 VanDerWaalsContact ND1-CB 3.3Å; H360-I362 WeakPolarHBondContact ND1-CB 3.28Å; H360-I362 WeakPolarHBondContact ND1-CG2 3.42Å; H360-I362 PolarHBondContact ND1-N 2.73Å; H360-I362 VanDerWaalsContact ND1-N 3.13Å; H360-I362 PolarHBondContact O-N 3.31Å |
| 363 | H | 93.5 | Very high | 95.4 | Very high | 112 Ų | 112 | 58.4 Ų | 58.4 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -96.5 | -7.4 | 177.7 | -63.6 | -54.1 | 0 | 0 | 0 | 113.4 | L357 H360 P361 | L357-H363 PolarHBondContact O-CD2 2.94Å; H360-H363 PolarHBondContact O-N 2.82Å; P361-H363 PolarHBondContact O-N 3.37Å |
| 364 | S | 85.6 | Confident | 95.2 | Very high | 163 Ų | 163 | 63.6 Ų | 63.6 | 100% | 1.14 | 40% | 0.397 | S | S | * | . | trans | -85.2 | 0 | 170.9 | -54.8 | 0 | 0 | 0 | 0 | 109.7 | P361 | P361-S364 WeakPolarHBondContact O-CB 3.49Å; P361-S364 PolarHBondContact O-N 3.08Å |
Retrieved 364 of 364 residues in 80.4 ms
(Link to these results)