A0A087XU01_POEFO Loading...

vesicle-fusing ATPase

AlphaFold DB , UniProt , Accession A0A087XU01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 aa.

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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
1M38.1Very low72.9Confident244 Ų24484.5 Ų84.5100%1.20245%0.453SS*.  0107.60-64-177.7-163.500107.6T3M1-T3 PolarHBondContact O-N 3.28Å
2T45.8Very low74.3Confident147 Ų14780.3 Ų80.390%0.90243%0.431SS*.  trans-76111.617941.80000109.2S4T2-S4 PolarHBondContact O-N 3.34Å
3T55.6Low75.4Confident88 Ų8874.8 Ų74.854%0.5440%0.401SS..  trans-65.3122.1173.823.50000110M1 K8M1-T3 PolarHBondContact O-N 3.28Å; T3-K8 WeakPolarHBondContact OG1-CE 3.36Å
4S75.9Confident76.5Confident53 Ų5374 Ų7437%0.37140%0.401SS..  trans-55.2142.2175.4151.70000110.8T2 L6 Q7 K8 E46T2-S4 PolarHBondContact O-N 3.34Å; S4-L6 PolarHBondContact O-N 3.38Å; S4-L6 WeakPolarHBondContact OG-CB 3.4Å; S4-L6 PolarHBondContact OG-N 3.44Å; S4-Q7 WeakPolarHBondContact O-CB 3.47Å; S4-Q7 PolarHBondContact O-N 3.28Å; S4-K8 PolarHBondContact O-N 3.02Å; S4-E46 PolarHBondContact OG-OE2 2.74Å
5T79Confident77.4Confident24 Ų2477.1 Ų77.115%0.14741%0.409CS..Hα-helixtrans-62.9-27.3179.252.60000112.2K8 A9 E46T5-K8 PolarHBondContact O-N 3.48Å; T5-A9 PolarHBondContact O-N 2.88Å; T5-A9 VanDerWaalsContact O-N 3.12Å; T5-E46 WeakPolarHBondContact CB-OE1 3.38Å; T5-E46 PolarHBondContact N-OE1 3.37Å; T5-E46 PolarHBondContact N-OE2 2.89Å; T5-E46 PolarHBondContact OG1-OE1 3.04Å; T5-E46 PolarHBondContact OG1-OE2 3.12Å
6L79.8Confident78.2Confident54 Ų5472.3 Ų72.328%0.28338%0.383SS..Hα-helixtrans-64.2-40.8171.2-174.563.6000112.8S4 K8 A9 I10 F39 A42 E46 I56S4-L6 PolarHBondContact O-N 3.38Å; S4-L6 WeakPolarHBondContact OG-CB 3.4Å; S4-L6 PolarHBondContact OG-N 3.44Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 2.96Å; L6-A9 WeakPolarHBondContact O-CB 3.41Å; L6-A9 PolarHBondContact O-N 3.39Å; L6-I10 HydrophobicContact CG-CD1 4.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.04Å; L6-I10 PolarHBondContact O-N 3.43Å; L6-I10 VanDerWaalsContact O-N 3.11Å; L6-F39 HydrophobicContact CD1-CD1 3.84Å; L6-F39 HydrophobicContact CD1-CE1 3.8Å; L6-A42 HydrophobicContact CB-CB 4.22Å; L6-A42 HydrophobicContact CD1-CB 4.26Å; L6-E46 PolarHBondContact N-OE2 2.96Å; L6-I56 HydrophobicContact CD1-CD1 4.04Å; L6-I56 HydrophobicContact CD1-CG1 4.41Å; L6-I56 HydrophobicContact CD2-CD1 4.48Å
7Q82.9Confident78.8Confident88 Ų8870.6 Ų70.641%0.41138%0.377SS..Hα-helixtrans-65.1-41.1178.3-172.460.544.500111.1S4 A9 I10 D11S4-Q7 WeakPolarHBondContact O-CB 3.47Å; S4-Q7 PolarHBondContact O-N 3.28Å; Q7-A9 VanDerWaalsContact C-N 3.29Å; Q7-A9 PolarHBondContact O-N 2.91Å; Q7-I10 PolarHBondContact O-N 3.26Å; Q7-D11 PolarHBondContact NE2-OD1 3.04Å; Q7-D11 PolarHBondContact O-N 3.09Å
8K84.8Confident79.5Confident89 Ų8972.9 Ų72.939%0.38739%0.385SS..Hα-helixtrans-60.9-38.1174.8-67-179.1179.91780112.1T3 S4 T5 L6 D11 L12T3-K8 WeakPolarHBondContact OG1-CE 3.36Å; S4-K8 PolarHBondContact O-N 3.02Å; T5-K8 PolarHBondContact O-N 3.48Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 2.96Å; K8-D11 PolarHBondContact O-N 3.14Å; K8-L12 VanDerWaalsContact O-CG 3.28Å; K8-L12 WeakPolarHBondContact O-CG 3.15Å; K8-L12 PolarHBondContact O-N 3.4Å; K8-L12 VanDerWaalsContact O-N 3.08Å
9A84.6Confident79.9Confident0 Ų072.4 Ų72.40%038%0.38CS..Hα-helixtrans-63.8-42.6175.700000111.8T5 L6 Q7 L12 V13 F39T5-A9 PolarHBondContact O-N 2.88Å; T5-A9 VanDerWaalsContact O-N 3.12Å; L6-A9 WeakPolarHBondContact O-CB 3.41Å; L6-A9 PolarHBondContact O-N 3.39Å; Q7-A9 VanDerWaalsContact C-N 3.29Å; Q7-A9 PolarHBondContact O-N 2.91Å; A9-L12 PolarHBondContact O-N 2.76Å; A9-V13 WeakPolarHBondContact O-CG2 3.13Å; A9-V13 PolarHBondContact O-N 3.5Å; A9-F39 HydrophobicContact CB-CD1 3.63Å; A9-F39 HydrophobicContact CB-CD2 3.94Å; A9-F39 HydrophobicContact CB-CE1 3.6Å; A9-F39 HydrophobicContact CB-CE2 3.91Å; A9-F39 HydrophobicContact CB-CG 3.8Å; A9-F39 HydrophobicContact CB-CZ 3.74Å
10I86.8Confident80.2Confident70 Ų7069.7 Ų69.736%0.35937%0.366SS..Hα-helixtrans-65.1-42.5178.1-66166.4000111.2L6 Q7 L12 V13 T14 F39L6-I10 HydrophobicContact CG-CD1 4.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.04Å; L6-I10 PolarHBondContact O-N 3.43Å; L6-I10 VanDerWaalsContact O-N 3.11Å; Q7-I10 PolarHBondContact O-N 3.26Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 2.85Å; I10-V13 PolarHBondContact O-N 2.87Å; I10-T14 PolarHBondContact O-N 3.03Å; I10-T14 PolarHBondContact O-OG1 2.96Å; I10-F39 HydrophobicContact CG1-CE1 4.33Å; I10-F39 HydrophobicContact CG1-CZ 4.34Å
11D88.7Confident80.6Confident72 Ų7274.7 Ų74.739%0.38539%0.385SS..Hα-helixtrans-63.8-39.1178.3-62.3-14.7000111.3Q7 K8 T14 K15Q7-D11 PolarHBondContact NE2-OD1 3.04Å; Q7-D11 PolarHBondContact O-N 3.09Å; K8-D11 PolarHBondContact O-N 3.14Å; D11-T14 PolarHBondContact O-N 2.81Å; D11-K15 WeakPolarHBondContact O-CG 3.18Å; D11-K15 PolarHBondContact O-N 3.35Å; D11-K15 VanDerWaalsContact O-N 3.13Å
12L89.3Confident83Confident35 Ų3566.3 Ų66.318%0.18336%0.355CS..Hα-helixtrans-67.1-41.2176.5-74170.9000112.6K8 A9 I10 T14 K15 A16 L31 H34 A35 Y38K8-L12 VanDerWaalsContact O-CG 3.28Å; K8-L12 WeakPolarHBondContact O-CG 3.15Å; K8-L12 PolarHBondContact O-N 3.4Å; K8-L12 VanDerWaalsContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 2.76Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 2.85Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-K15 PolarHBondContact O-N 2.76Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.49Å; L12-L31 HydrophobicContact CD2-CD2 4.04Å; L12-H34 HydrophobicContact CD1-CB 4.43Å; L12-A35 HydrophobicContact CB-CB 3.91Å; L12-Y38 HydrophobicContact CD1-CD2 3.49Å; L12-Y38 VanDerWaalsContact CD1-CD2 3.49Å; L12-Y38 HydrophobicContact CD1-CE2 3.83Å; L12-Y38 HydrophobicContact CD1-CG 4.34Å
13V89.5Confident84.9Confident8 Ų866.7 Ų66.75%0.04834%0.344CS..Hα-helixtrans-63.4-42.1174169.20000111.6A9 I10 K15 A16 T17 A35 F39 Y63A9-V13 WeakPolarHBondContact O-CG2 3.13Å; A9-V13 PolarHBondContact O-N 3.5Å; I10-V13 PolarHBondContact O-N 2.87Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 3.26Å; V13-A16 WeakPolarHBondContact O-CB 3.39Å; V13-A16 PolarHBondContact O-N 3.01Å; V13-A16 VanDerWaalsContact O-N 3.11Å; V13-T17 HydrophobicContact CG1-CG2 4.26Å; V13-T17 WeakPolarHBondContact O-CG2 3.3Å; V13-T17 PolarHBondContact O-N 3.14Å; V13-T17 PolarHBondContact O-OG1 3.39Å; V13-A35 HydrophobicContact CG2-CB 3.58Å; V13-F39 HydrophobicContact CG2-CE2 3.51Å; V13-F39 HydrophobicContact CG2-CZ 4.05Å; V13-Y63 HydrophobicContact CG1-CD1 4.08Å; V13-Y63 HydrophobicContact CG1-CD2 4.49Å; V13-Y63 HydrophobicContact CG1-CE1 3.47Å; V13-Y63 VanDerWaalsContact CG1-CE1 3.47Å; V13-Y63 HydrophobicContact CG1-CE2 3.94Å; V13-Y63 VanDerWaalsContact CG1-CZ 3.41Å; V13-Y63 HydrophobicContact CG2-CD2 3.93Å; V13-Y63 HydrophobicContact CG2-CE2 3.83Å; V13-Y63 HydrophobicContact CG2-CG 4.36Å
14T90.5Very high86.4Confident64 Ų6465.7 Ų65.739%0.39334%0.335SS..Hα-helixtrans-60.1-47.1-178.9-540000109.5I10 D11 L12 A16 T17 E18I10-T14 PolarHBondContact O-N 3.03Å; I10-T14 PolarHBondContact O-OG1 2.96Å; D11-T14 PolarHBondContact O-N 2.81Å; L12-T14 VanDerWaalsContact C-N 3.34Å; T14-A16 PolarHBondContact O-N 3.27Å; T14-T17 PolarHBondContact O-N 3.12Å; T14-T17 PolarHBondContact O-OG1 3.45Å; T14-E18 WeakPolarHBondContact O-CG 3.23Å; T14-E18 PolarHBondContact O-N 2.77Å; T14-E18 VanDerWaalsContact O-N 3.1Å
15K90.6Very high86.9Confident120 Ų12065.6 Ų65.652%0.52233%0.327SS..Hα-helixtrans-60.4-42.7172.1-69.4176.8-179.6-178.30112.8D11 L12 V13 T17 E18 E19 L31D11-K15 WeakPolarHBondContact O-CG 3.18Å; D11-K15 PolarHBondContact O-N 3.35Å; D11-K15 VanDerWaalsContact O-N 3.13Å; L12-K15 PolarHBondContact O-N 2.76Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 3.26Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.93Å; K15-E18 PolarHBondContact O-N 3.17Å; K15-E19 WeakPolarHBondContact O-CG 3.31Å; K15-E19 PolarHBondContact O-N 3.07Å; K15-L31 HydrophobicContact CB-CD1 4.14Å
16A89Confident87.2Confident0 Ų071.1 Ų71.10%035%0.351CS..Hα-helixtrans-59.4-40.4177.200000112.1L12 V13 T14 D20 L31 Y32L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.49Å; V13-A16 WeakPolarHBondContact O-CB 3.39Å; V13-A16 PolarHBondContact O-N 3.01Å; V13-A16 VanDerWaalsContact O-N 3.11Å; T14-A16 PolarHBondContact O-N 3.27Å; A16-D20 VanDerWaalsContact O-CB 3.3Å; A16-D20 WeakPolarHBondContact O-CB 3.47Å; A16-D20 PolarHBondContact O-N 3.2Å; A16-L31 HydrophobicContact CB-CB 3.65Å; A16-Y32 HydrophobicContact CB-CD1 3.71Å; A16-Y32 HydrophobicContact CB-CD2 3.97Å; A16-Y32 HydrophobicContact CB-CE1 3.66Å; A16-Y32 HydrophobicContact CB-CE2 3.93Å; A16-Y32 HydrophobicContact CB-CG 3.85Å
17T89.1Confident87.6Confident44 Ų4471.8 Ų71.827%0.2735%0.353SS..Hα-helixtrans-71.3-29.9177.960.70000113.3V13 T14 K15 K21 Y32V13-T17 HydrophobicContact CG1-CG2 4.26Å; V13-T17 WeakPolarHBondContact O-CG2 3.3Å; V13-T17 PolarHBondContact O-N 3.14Å; V13-T17 PolarHBondContact O-OG1 3.39Å; T14-T17 PolarHBondContact O-N 3.12Å; T14-T17 PolarHBondContact O-OG1 3.45Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.93Å; T17-K21 WeakPolarHBondContact O-CB 3.34Å; T17-K21 VanDerWaalsContact O-CG 3.27Å; T17-K21 WeakPolarHBondContact O-CG 3.44Å; T17-K21 PolarHBondContact O-N 3.04Å; T17-K21 VanDerWaalsContact O-N 3.11Å; T17-Y32 HydrophobicContact CG2-CE1 4.43Å; T17-Y32 VanDerWaalsContact CG2-OH 3.24Å; T17-Y32 WeakPolarHBondContact CG2-OH 3.47Å
18E90.4Very high87.8Confident112 Ų11267.6 Ų67.652%0.52333%0.333SS..Hα-helixtrans-70-45.8174.2-72171.1176.600110.8T14 K15 D20 K21 A22T14-E18 WeakPolarHBondContact O-CG 3.23Å; T14-E18 PolarHBondContact O-N 2.77Å; T14-E18 VanDerWaalsContact O-N 3.1Å; K15-E18 PolarHBondContact O-N 3.17Å; E18-D20 PolarHBondContact O-N 3.01Å; E18-K21 PolarHBondContact O-N 3.19Å; E18-A22 WeakPolarHBondContact O-CB 3.49Å; E18-A22 PolarHBondContact O-N 3.44Å
19E88Confident87.9Confident63 Ų6364.5 Ų64.529%0.29432%0.32SS..Hα-helixtrans-65.4-37.2175.9-67.9-61.6146.800112.2K15 A22 K23 N24 A28 L31K15-E19 WeakPolarHBondContact O-CG 3.31Å; K15-E19 PolarHBondContact O-N 3.07Å; E19-A22 CarbonylContact O-C 3.53Å; E19-A22 PolarHBondContact O-N 3.35Å; E19-K23 PolarHBondContact O-N 3.16Å; E19-K23 VanDerWaalsContact O-N 3.1Å; E19-N24 HydrophobicContact CB-CB 4.44Å; E19-N24 PolarHBondContact O-N 3.35Å; E19-N24 WeakPolarHBondContact OE2-CB 3.23Å; E19-N24 PolarHBondContact OE2-ND2 3.39Å; E19-A28 HydrophobicContact CB-CB 4.04Å; E19-L31 HydrophobicContact CG-CD1 3.94Å
20D86.8Confident88.2Confident18 Ų1870.8 Ų70.810%0.09634%0.344CS..Hα-helixtrans-64.2-40.7174.6-1698.5000111.3A16 E18 K23 A28 Y32 R66A16-D20 VanDerWaalsContact O-CB 3.3Å; A16-D20 WeakPolarHBondContact O-CB 3.47Å; A16-D20 PolarHBondContact O-N 3.2Å; E18-D20 PolarHBondContact O-N 3.01Å; D20-K23 PolarHBondContact O-N 3.24Å; D20-A28 HydrophobicContact CB-CB 4.03Å; D20-Y32 HydrophobicContact CB-CE2 4.32Å; D20-R66 VanDerWaalsContact CG-NH2 3.26Å; D20-R66 IonicContact OD1-CZ 2.66Å; D20-R66 IonicContact OD1-NE 3.6Å; D20-R66 IonicContact OD1-NH2 2.68Å; D20-R66 PolarHBondContact OD1-NH2 2.89Å; D20-R66 IonicContact OD2-CZ 3.46Å; D20-R66 VanDerWaalsContact OD2-CZ 3.24Å; D20-R66 IonicContact OD2-NE 2.98Å; D20-R66 PolarHBondContact OD2-NE 3.03Å; D20-R66 IonicContact OD2-NH2 3.16Å; D20-R66 PolarHBondContact OD2-NH2 3.25Å
21K88.4Confident88.2Confident175 Ų17568.8 Ų68.876%0.76133%0.334SS*.Hα-helixtrans-66.7-35.8172.2-74.9172.8-176.9175.30112.5T17 E18 K23T17-K21 WeakPolarHBondContact O-CB 3.34Å; T17-K21 VanDerWaalsContact O-CG 3.27Å; T17-K21 WeakPolarHBondContact O-CG 3.44Å; T17-K21 PolarHBondContact O-N 3.04Å; T17-K21 VanDerWaalsContact O-N 3.11Å; E18-K21 PolarHBondContact O-N 3.19Å; K21-K23 PolarHBondContact O-N 3.08Å
22A87.8Confident88.2Confident69 Ų6965.8 Ų65.857%0.5732%0.317SS*.THydrogen-bonded Turntrans-73.7-0.917500000113.4E18 E19 N24E18-A22 WeakPolarHBondContact O-CB 3.49Å; E18-A22 PolarHBondContact O-N 3.44Å; E19-A22 CarbonylContact O-C 3.53Å; E19-A22 PolarHBondContact O-N 3.35Å; A22-N24 PolarHBondContact O-N 3.17Å
23K85.5Confident88.1Confident155 Ų15568.4 Ų68.467%0.67433%0.329SS*.THydrogen-bonded Turntrans63.121.2-177.2-52-176.9176.8175.50114.1E19 D20 K21 Y25E19-K23 PolarHBondContact O-N 3.16Å; E19-K23 VanDerWaalsContact O-N 3.1Å; D20-K23 PolarHBondContact O-N 3.24Å; K21-K23 PolarHBondContact O-N 3.08Å; K23-Y25 VanDerWaalsContact C-N 3.29Å; K23-Y25 HydrophobicContact CB-CE1 4.36Å; K23-Y25 HydrophobicContact CB-CE2 3.99Å; K23-Y25 WeakPolarHBondContact O-CD2 3.44Å; K23-Y25 PolarHBondContact O-N 2.87Å; K23-Y25 VanDerWaalsContact O-N 3.15Å
24N87.6Confident88Confident67 Ų6772.2 Ų72.236%0.35835%0.346SS..  trans-88.671.8174.4-166.37.4000109.8E19 A22 E26 E27 A28E19-N24 HydrophobicContact CB-CB 4.44Å; E19-N24 PolarHBondContact O-N 3.35Å; E19-N24 WeakPolarHBondContact OE2-CB 3.23Å; E19-N24 PolarHBondContact OE2-ND2 3.39Å; A22-N24 PolarHBondContact O-N 3.17Å; N24-E26 VanDerWaalsContact C-N 3.32Å; N24-E26 PolarHBondContact O-N 3.28Å; N24-E27 PolarHBondContact O-N 3.38Å; N24-A28 WeakPolarHBondContact O-CB 3.37Å; N24-A28 PolarHBondContact O-N 2.69Å
25Y86.3Confident87.8Confident51 Ų5169.2 Ų69.220%0.233%0.327CS..Hα-helixtrans-68.6-25.8-166.2-58.8-53000114.6K23 L29 L70 Y73K23-Y25 VanDerWaalsContact C-N 3.29Å; K23-Y25 HydrophobicContact CB-CE1 4.36Å; K23-Y25 HydrophobicContact CB-CE2 3.99Å; K23-Y25 WeakPolarHBondContact O-CD2 3.44Å; K23-Y25 PolarHBondContact O-N 2.87Å; K23-Y25 VanDerWaalsContact O-N 3.15Å; Y25-L29 VanDerWaalsContact O-CB 3.29Å; Y25-L29 WeakPolarHBondContact O-CB 3.48Å; Y25-L29 PolarHBondContact O-N 3.47Å; Y25-L70 HydrophobicContact CD1-CD2 3.34Å; Y25-L70 HydrophobicContact CE1-CD2 3.98Å; Y25-L70 HydrophobicContact CG-CD2 3.97Å; Y25-Y73 AromaticContact CD2-CD1 3.93Å; Y25-Y73 HydrophobicContact CD2-CD1 3.93Å; Y25-Y73 AromaticContact CD2-CE1 3.63Å; Y25-Y73 HydrophobicContact CD2-CE1 3.63Å; Y25-Y73 HydrophobicContact CE2-CD1 4.24Å; Y25-Y73 AromaticContact CE2-CE1 3.64Å; Y25-Y73 HydrophobicContact CE2-CE1 3.64Å; Y25-Y73 HydrophobicContact CG-CD1 4.5Å
26E86.1Confident87.6Confident139 Ų13964 Ų6465%0.6531%0.306SS*.Hα-helixtrans-70.6-47.4177.1-71.3175.5-16600111.5N24 L29 R30 L74N24-E26 VanDerWaalsContact C-N 3.32Å; N24-E26 PolarHBondContact O-N 3.28Å; E26-L29 PolarHBondContact O-N 3.28Å; E26-R30 PolarHBondContact O-N 3.05Å; E26-L74 HydrophobicContact CG-CD1 3.94Å; E26-L74 HydrophobicContact CG-CD2 3.83Å
27E86.3Confident87.3Confident69 Ų6969.8 Ų69.832%0.32233%0.333SS..Hα-helixtrans-70.9-38176.4-77-61.1152.300112N24 L29 R30 L31N24-E27 PolarHBondContact O-N 3.38Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.07Å; E27-R30 PolarHBondContact O-N 2.68Å; E27-R30 IonicContact OE1-CZ 2.62Å; E27-R30 IonicContact OE1-NE 2.81Å; E27-R30 IonicContact OE1-NH2 3.95Å; E27-R30 PolarHBondContact OE1-NH2 3.02Å; E27-R30 IonicContact OE2-CZ 3.95Å; E27-R30 IonicContact OE2-NE 3.83Å; E27-R30 PolarHBondContact OE2-NE 3.19Å; E27-R30 IonicContact OE2-NH2 2.75Å; E27-R30 PolarHBondContact OE2-NH2 3.38Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.4Å; E27-L31 PolarHBondContact O-N 3.32Å
28A87.3Confident87.1Confident0 Ų072 Ų720%034%0.337CS..Hα-helixtrans-58.3-44.517300000111.6E19 D20 N24 R30 L31 Y32 L70E19-A28 HydrophobicContact CB-CB 4.04Å; D20-A28 HydrophobicContact CB-CB 4.03Å; N24-A28 WeakPolarHBondContact O-CB 3.37Å; N24-A28 PolarHBondContact O-N 2.69Å; A28-R30 PolarHBondContact O-N 2.82Å; A28-L31 PolarHBondContact O-N 3.07Å; A28-Y32 HydrophobicContact CB-CE2 4.46Å; A28-Y32 WeakPolarHBondContact O-CB 3.24Å; A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.26Å; A28-L70 HydrophobicContact CB-CD1 4.15Å
29L88.1Confident86.7Confident23 Ų2367.1 Ų67.112%0.1231%0.314CS..Hα-helixtrans-59.6-46.8176.9179.667.8000111.7Y25 E26 E27 Y32 Q33 A67 L70 K71 L74Y25-L29 VanDerWaalsContact O-CB 3.29Å; Y25-L29 WeakPolarHBondContact O-CB 3.48Å; Y25-L29 PolarHBondContact O-N 3.47Å; E26-L29 PolarHBondContact O-N 3.28Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.07Å; L29-Y32 PolarHBondContact O-N 3.12Å; L29-Q33 WeakPolarHBondContact O-CG 3.31Å; L29-Q33 PolarHBondContact O-N 3.48Å; L29-A67 HydrophobicContact CD1-CB 3.93Å; L29-A67 WeakPolarHBondContact CD1-O 3.4Å; L29-L70 HydrophobicContact CD1-CB 4.41Å; L29-K71 HydrophobicContact CD1-CB 4.15Å; L29-K71 HydrophobicContact CD2-CB 4.26Å; L29-K71 HydrophobicContact CD2-CG 4.46Å; L29-L74 HydrophobicContact CD2-CD1 4.11Å
30R89.5Confident86.3Confident132 Ų13269.1 Ų69.150%0.49833%0.326SS..Hα-helixtrans-61.9-44.5179-172.1177.970.8148.80.2111.7E26 E27 A28 Q33 H34E26-R30 PolarHBondContact O-N 3.05Å; E27-R30 PolarHBondContact O-N 2.68Å; E27-R30 IonicContact OE1-CZ 2.62Å; E27-R30 IonicContact OE1-NE 2.81Å; E27-R30 IonicContact OE1-NH2 3.95Å; E27-R30 PolarHBondContact OE1-NH2 3.02Å; E27-R30 IonicContact OE2-CZ 3.95Å; E27-R30 IonicContact OE2-NE 3.83Å; E27-R30 PolarHBondContact OE2-NE 3.19Å; E27-R30 IonicContact OE2-NH2 2.75Å; E27-R30 PolarHBondContact OE2-NH2 3.38Å; A28-R30 PolarHBondContact O-N 2.82Å; R30-Q33 PolarHBondContact O-N 2.86Å; R30-H34 PolarHBondContact O-N 3.36Å
31L88.6Confident86.1Confident28 Ų2872.4 Ų72.415%0.14734%0.34CS..Hα-helixtrans-67.2-37.9179.2-69.8170.2000112.2L12 K15 A16 E19 E27 A28 A35L12-L31 HydrophobicContact CD2-CD2 4.04Å; K15-L31 HydrophobicContact CB-CD1 4.14Å; A16-L31 HydrophobicContact CB-CB 3.65Å; E19-L31 HydrophobicContact CG-CD1 3.94Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.4Å; E27-L31 PolarHBondContact O-N 3.32Å; A28-L31 PolarHBondContact O-N 3.07Å; L31-A35 VanDerWaalsContact O-CB 3.28Å; L31-A35 WeakPolarHBondContact O-CB 3.29Å; L31-A35 PolarHBondContact O-N 3.41Å
32Y87.8Confident85.7Confident9 Ų964.1 Ų64.14%0.03531%0.305CS..Hα-helixtrans-64-42.2173.5-80.6-57.1000112.4A16 T17 D20 A28 L29 A35 V36 Y63 R66 L70A16-Y32 HydrophobicContact CB-CD1 3.71Å; A16-Y32 HydrophobicContact CB-CD2 3.97Å; A16-Y32 HydrophobicContact CB-CE1 3.66Å; A16-Y32 HydrophobicContact CB-CE2 3.93Å; A16-Y32 HydrophobicContact CB-CG 3.85Å; T17-Y32 HydrophobicContact CG2-CE1 4.43Å; T17-Y32 VanDerWaalsContact CG2-OH 3.24Å; T17-Y32 WeakPolarHBondContact CG2-OH 3.47Å; D20-Y32 HydrophobicContact CB-CE2 4.32Å; A28-Y32 HydrophobicContact CB-CE2 4.46Å; A28-Y32 WeakPolarHBondContact O-CB 3.24Å; A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.26Å; L29-Y32 PolarHBondContact O-N 3.12Å; Y32-A35 PolarHBondContact O-N 2.99Å; Y32-V36 VanDerWaalsContact O-CG2 3.26Å; Y32-V36 WeakPolarHBondContact O-CG2 3.41Å; Y32-V36 PolarHBondContact O-N 3.41Å; Y32-V36 VanDerWaalsContact O-N 3.1Å; Y32-Y63 HydrophobicContact CD1-CD1 4.22Å; Y32-Y63 HydrophobicContact CD1-CG 4.38Å; Y32-Y63 AromaticContact CE1-CD1 3.78Å; Y32-Y63 HydrophobicContact CE1-CD1 3.78Å; Y32-Y63 HydrophobicContact CE1-CG 4.38Å; Y32-R66 HydrophobicContact CE2-CG 4.09Å; Y32-L70 HydrophobicContact CD2-CD1 4.01Å; Y32-L70 HydrophobicContact CE2-CD1 4Å
33Q87.1Confident85.4Confident91 Ų9161.6 Ų61.643%0.42528%0.282SS..Hα-helixtrans-63-48.3177.1-73.5174.6-13.400111.8L29 R30 A35 V36 E37L29-Q33 WeakPolarHBondContact O-CG 3.31Å; L29-Q33 PolarHBondContact O-N 3.48Å; R30-Q33 PolarHBondContact O-N 2.86Å; Q33-A35 VanDerWaalsContact C-N 3.35Å; Q33-A35 PolarHBondContact O-N 2.93Å; Q33-V36 PolarHBondContact O-N 3.12Å; Q33-E37 PolarHBondContact O-N 2.88Å
34H88.3Confident85.1Confident88 Ų8861.4 Ų61.441%0.40728%0.281SS..Hα-helixtrans-60.8-42.7175.5-89.5-150000112L12 R30 V36 E37 Y38L12-H34 HydrophobicContact CD1-CB 4.43Å; R30-H34 PolarHBondContact O-N 3.36Å; H34-V36 VanDerWaalsContact C-N 3.29Å; H34-V36 PolarHBondContact O-N 2.84Å; H34-E37 PolarHBondContact O-N 3.01Å; H34-Y38 VanDerWaalsContact O-CD2 3.25Å; H34-Y38 WeakPolarHBondContact O-CD2 3.16Å; H34-Y38 PolarHBondContact O-N 3.29Å; H34-Y38 VanDerWaalsContact O-N 3.16Å
35A86.1Confident84.4Confident0 Ų064.7 Ų64.70%029%0.289CS..Hα-helixtrans-59.6-40.2178.600000112.4L12 V13 L31 Y32 Q33 Y38 F39L12-A35 HydrophobicContact CB-CB 3.91Å; V13-A35 HydrophobicContact CG2-CB 3.58Å; L31-A35 VanDerWaalsContact O-CB 3.28Å; L31-A35 WeakPolarHBondContact O-CB 3.29Å; L31-A35 PolarHBondContact O-N 3.41Å; Y32-A35 PolarHBondContact O-N 2.99Å; Q33-A35 VanDerWaalsContact C-N 3.35Å; Q33-A35 PolarHBondContact O-N 2.93Å; A35-Y38 PolarHBondContact O-N 3.08Å; A35-F39 WeakPolarHBondContact O-CD2 3.19Å; A35-F39 PolarHBondContact O-N 3.45Å
36V85.3Confident83.6Confident12 Ų1265.6 Ų65.67%0.07330%0.295CS..Hα-helixtrans-64.2-41.7177.8171.50000111.5Y32 Q33 H34 Y38 F39 L40 L64Y32-V36 VanDerWaalsContact O-CG2 3.26Å; Y32-V36 WeakPolarHBondContact O-CG2 3.41Å; Y32-V36 PolarHBondContact O-N 3.41Å; Y32-V36 VanDerWaalsContact O-N 3.1Å; Q33-V36 PolarHBondContact O-N 3.12Å; H34-V36 VanDerWaalsContact C-N 3.29Å; H34-V36 PolarHBondContact O-N 2.84Å; V36-Y38 VanDerWaalsContact C-N 3.33Å; V36-Y38 PolarHBondContact O-N 3.5Å; V36-F39 PolarHBondContact O-N 3.33Å; V36-L40 HydrophobicContact CG1-CD1 4.09Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 2.99Å; V36-L64 HydrophobicContact CG1-CD1 3.93Å; V36-L64 HydrophobicContact CG1-CD2 4.13Å; V36-L64 HydrophobicContact CG1-CG 4Å; V36-L64 HydrophobicContact CG2-CD2 4.32Å; V36-L64 HydrophobicContact CG2-CG 3.88Å
37E84.2Confident82.6Confident121 Ų12159.8 Ų59.857%0.56527%0.271SS*.Hα-helixtrans-59.6-43.8175.4-69.4177179.300111.9Q33 H34 L40 H41Q33-E37 PolarHBondContact O-N 2.88Å; H34-E37 PolarHBondContact O-N 3.01Å; E37-L40 PolarHBondContact O-N 2.87Å; E37-H41 WeakPolarHBondContact O-CB 3.48Å; E37-H41 PolarHBondContact O-N 3.31Å
38Y83.3Confident81.5Confident91 Ų9165 Ų6536%0.35730%0.295SS..Hα-helixtrans-67.4-35.9176.6-80.4-77.6000112.9L12 H34 A35 V36 H41 A42L12-Y38 HydrophobicContact CD1-CD2 3.49Å; L12-Y38 VanDerWaalsContact CD1-CD2 3.49Å; L12-Y38 HydrophobicContact CD1-CE2 3.83Å; L12-Y38 HydrophobicContact CD1-CG 4.34Å; H34-Y38 VanDerWaalsContact O-CD2 3.25Å; H34-Y38 WeakPolarHBondContact O-CD2 3.16Å; H34-Y38 PolarHBondContact O-N 3.29Å; H34-Y38 VanDerWaalsContact O-N 3.16Å; A35-Y38 PolarHBondContact O-N 3.08Å; V36-Y38 VanDerWaalsContact C-N 3.33Å; V36-Y38 PolarHBondContact O-N 3.5Å; Y38-H41 PolarHBondContact O-N 3.25Å; Y38-A42 WeakPolarHBondContact O-CB 3.21Å; Y38-A42 PolarHBondContact O-N 2.89Å
39F82Confident80.8Confident9 Ų968.1 Ų68.14%0.03932%0.317CS..Hα-helixtrans-67.7-38.9173.3-77.4-62.3000113L6 A9 I10 V13 A35 V36 H41 A42 I43 I56 C60 Y63L6-F39 HydrophobicContact CD1-CD1 3.84Å; L6-F39 HydrophobicContact CD1-CE1 3.8Å; A9-F39 HydrophobicContact CB-CD1 3.63Å; A9-F39 HydrophobicContact CB-CD2 3.94Å; A9-F39 HydrophobicContact CB-CE1 3.6Å; A9-F39 HydrophobicContact CB-CE2 3.91Å; A9-F39 HydrophobicContact CB-CG 3.8Å; A9-F39 HydrophobicContact CB-CZ 3.74Å; I10-F39 HydrophobicContact CG1-CE1 4.33Å; I10-F39 HydrophobicContact CG1-CZ 4.34Å; V13-F39 HydrophobicContact CG2-CE2 3.51Å; V13-F39 HydrophobicContact CG2-CZ 4.05Å; A35-F39 WeakPolarHBondContact O-CD2 3.19Å; A35-F39 PolarHBondContact O-N 3.45Å; V36-F39 PolarHBondContact O-N 3.33Å; F39-H41 VanDerWaalsContact C-N 3.3Å; F39-A42 PolarHBondContact O-N 2.92Å; F39-I43 VanDerWaalsContact O-CG1 3.31Å; F39-I43 WeakPolarHBondContact O-CG1 3.37Å; F39-I43 PolarHBondContact O-N 3.47Å; F39-I56 HydrophobicContact CB-CG2 4.14Å; F39-I56 HydrophobicContact CD1-CG2 3.64Å; F39-I56 HydrophobicContact CE1-CG2 4.43Å; F39-I56 HydrophobicContact CG-CG2 4.21Å; F39-C60 WeakPolarHBondContact CB-SG 3.49Å; F39-Y63 HydrophobicContact CE2-CD2 4.11Å; F39-Y63 HydrophobicContact CE2-CE2 4.1Å; F39-Y63 HydrophobicContact CZ-CE2 4.42Å
40L80.8Confident80Confident104 Ų10472.6 Ų72.655%0.54534%0.341SS..Hα-helixtrans-64-39.3174.9-71173.2000111.1V36 E37 I43 K44V36-L40 HydrophobicContact CG1-CD1 4.09Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 2.99Å; E37-L40 PolarHBondContact O-N 2.87Å; L40-I43 PolarHBondContact O-N 3.46Å; L40-K44 WeakPolarHBondContact O-CB 3.04Å; L40-K44 PolarHBondContact O-N 3.31Å; L40-K44 VanDerWaalsContact O-N 3.12Å
41H82.5Confident79.2Confident87 Ų8774.5 Ų74.540%0.40335%0.353SS..Hα-helixtrans-62.8-44.6172.8-168.3-82.6000111.8E37 Y38 F39 I43 K44 Y45E37-H41 WeakPolarHBondContact O-CB 3.48Å; E37-H41 PolarHBondContact O-N 3.31Å; Y38-H41 PolarHBondContact O-N 3.25Å; F39-H41 VanDerWaalsContact C-N 3.3Å; H41-I43 PolarHBondContact O-N 2.86Å; H41-K44 PolarHBondContact O-N 3.12Å; H41-Y45 AromaticContact CD2-CD2 3.75Å; H41-Y45 AromaticContact CD2-CE2 3.73Å; H41-Y45 AromaticContact CE1-CD2 3.51Å; H41-Y45 AromaticContact CG-CD2 3.96Å; H41-Y45 AromaticContact ND1-CD2 3.82Å; H41-Y45 AromaticContact NE2-CD2 3.45Å; H41-Y45 WeakPolarHBondContact NE2-CD2 3.44Å; H41-Y45 AromaticContact NE2-CE2 3.54Å; H41-Y45 WeakPolarHBondContact O-CD2 3.18Å; H41-Y45 PolarHBondContact O-N 2.86Å
42A80.4Confident78.4Confident2 Ų275.3 Ų75.32%0.01736%0.363CS..Hα-helixtrans-64-37.9177.100000112.6L6 Y38 F39 K44 E46 A47L6-A42 HydrophobicContact CB-CB 4.22Å; L6-A42 HydrophobicContact CD1-CB 4.26Å; Y38-A42 WeakPolarHBondContact O-CB 3.21Å; Y38-A42 PolarHBondContact O-N 2.89Å; F39-A42 PolarHBondContact O-N 2.92Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 3.13Å; A42-E46 WeakPolarHBondContact O-CA 3.39Å; A42-E46 PolarHBondContact O-N 3.28Å; A42-A47 PolarHBondContact O-N 3.44Å
43I79.8Confident77.8Confident15 Ų1577.2 Ų77.28%0.07737%0.372CS..Hα-helixtrans-62.7-38.3174.1-71.8162.2000111.4F39 L40 H41 K53 I56 R57F39-I43 VanDerWaalsContact O-CG1 3.31Å; F39-I43 WeakPolarHBondContact O-CG1 3.37Å; F39-I43 PolarHBondContact O-N 3.47Å; L40-I43 PolarHBondContact O-N 3.46Å; H41-I43 PolarHBondContact O-N 2.86Å; I43-K53 HydrophobicContact CG2-CG 4.32Å; I43-I56 HydrophobicContact CD1-CB 4.29Å; I43-I56 HydrophobicContact CD1-CG2 3.78Å; I43-I56 HydrophobicContact CG1-CB 4.12Å; I43-I56 HydrophobicContact CG1-CG2 3.75Å; I43-R57 HydrophobicContact CD1-CG 3.68Å
44K79.3Confident77.4Confident151 Ų15178.9 Ų78.966%0.65738%0.38SS*.Hα-helixtrans-77.1-35.8-175.4-170.5173.7177.9-172.20113L40 H41 A42L40-K44 WeakPolarHBondContact O-CB 3.04Å; L40-K44 PolarHBondContact O-N 3.31Å; L40-K44 VanDerWaalsContact O-N 3.12Å; H41-K44 PolarHBondContact O-N 3.12Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 3.13Å
45Y74.4Confident76.9Confident136 Ų13677.9 Ų77.953%0.53338%0.382SS..Hα-helixtrans-122.3-21.4-169.1-59.3-71.7000115.7H41H41-Y45 AromaticContact CD2-CD2 3.75Å; H41-Y45 AromaticContact CD2-CE2 3.73Å; H41-Y45 AromaticContact CE1-CD2 3.51Å; H41-Y45 AromaticContact CG-CD2 3.96Å; H41-Y45 AromaticContact ND1-CD2 3.82Å; H41-Y45 AromaticContact NE2-CD2 3.45Å; H41-Y45 WeakPolarHBondContact NE2-CD2 3.44Å; H41-Y45 AromaticContact NE2-CE2 3.54Å; H41-Y45 WeakPolarHBondContact O-CD2 3.18Å; H41-Y45 PolarHBondContact O-N 2.86Å
46E68.3Low76.5Confident71 Ų7179 Ų7933%0.33239%0.388SS..THydrogen-bonded Turntrans-112.1-24.1-175.5-70.3-172.7-172.700114S4 T5 L6 A42 H48S4-E46 PolarHBondContact OG-OE2 2.74Å; T5-E46 WeakPolarHBondContact CB-OE1 3.38Å; T5-E46 PolarHBondContact N-OE1 3.37Å; T5-E46 PolarHBondContact N-OE2 2.89Å; T5-E46 PolarHBondContact OG1-OE1 3.04Å; T5-E46 PolarHBondContact OG1-OE2 3.12Å; L6-E46 PolarHBondContact N-OE2 2.96Å; A42-E46 WeakPolarHBondContact O-CA 3.39Å; A42-E46 PolarHBondContact O-N 3.28Å; E46-H48 PolarHBondContact O-CE1 3.27Å; E46-H48 PolarHBondContact O-ND1 2.85Å
47A64.6Low76.2Confident17 Ų1784.3 Ų84.314%0.1441%0.407CS..  trans-85.3117.7-177.300000112.8A42 K53A42-A47 PolarHBondContact O-N 3.44Å; A47-K53 HydrophobicContact CB-CD 4.36Å; A47-K53 HydrophobicContact CB-CG 3.53Å; A47-K53 WeakPolarHBondContact O-CE 3.18Å; A47-K53 PolarHBondContact O-NZ 3.36Å
48H63.6Low76.1Confident177 Ų17780.9 Ų80.982%0.81940%0.399SS*.  trans-102.6-10.7-176.5-65.760.7000114E46E46-H48 PolarHBondContact O-CE1 3.27Å; E46-H48 PolarHBondContact O-ND1 2.85Å
49S73.3Confident75.8Confident67 Ų6781.7 Ų81.747%0.46941%0.405SS..SBendtrans-119.8136.6179.6178.90000111.7K51 A52 K53S49-K51 VanDerWaalsContact C-N 3.33Å; S49-K51 PolarHBondContact O-N 3.25Å; S49-A52 WeakPolarHBondContact O-CB 3.41Å; S49-A52 PolarHBondContact O-N 2.97Å; S49-A52 VanDerWaalsContact O-N 3.14Å; S49-K53 PolarHBondContact O-N 3.26Å; S49-K53 VanDerWaalsContact O-N 3.16Å
50D70.1Confident75.8Confident116 Ų11681.6 Ų81.662%0.6241%0.405SS*.Hα-helixtrans-63.8-35-177.4-68.2-36.7000113.2A52 K53 E54D50-A52 VanDerWaalsContact C-N 3.3Å; D50-A52 PolarHBondContact O-N 3.49Å; D50-K53 PolarHBondContact O-N 3.42Å; D50-E54 PolarHBondContact O-N 3.47Å
51K74.4Confident75.8Confident173 Ų17382.9 Ų82.975%0.75241%0.41SS*.Hα-helixtrans-63.1-35.7174.4-70-173.4178.5-179.10112.6S49 S55S49-K51 VanDerWaalsContact C-N 3.33Å; S49-K51 PolarHBondContact O-N 3.25Å; K51-S55 PolarHBondContact O-N 2.82Å; K51-S55 VanDerWaalsContact O-N 3.14Å
52A70.9Confident75.8Confident44 Ų4484.9 Ų84.936%0.36442%0.419SS..Hα-helixtrans-72-39.317700000111.3S49 D50 E54 S55 I56S49-A52 WeakPolarHBondContact O-CB 3.41Å; S49-A52 PolarHBondContact O-N 2.97Å; S49-A52 VanDerWaalsContact O-N 3.14Å; D50-A52 VanDerWaalsContact C-N 3.3Å; D50-A52 PolarHBondContact O-N 3.49Å; A52-E54 PolarHBondContact O-N 3.48Å; A52-S55 PolarHBondContact O-N 2.82Å; A52-I56 WeakPolarHBondContact O-CD1 3.44Å; A52-I56 VanDerWaalsContact O-CG1 3.24Å; A52-I56 WeakPolarHBondContact O-CG1 3.38Å; A52-I56 PolarHBondContact O-N 3.04Å
53K75.6Confident76Confident50 Ų5087.3 Ų87.322%0.21743%0.428CS..Hα-helixtrans-62.2-42.1174.8-68.8178.5-177.9169.10111.8I43 A47 S49 D50 I56 R57I43-K53 HydrophobicContact CG2-CG 4.32Å; A47-K53 HydrophobicContact CB-CD 4.36Å; A47-K53 HydrophobicContact CB-CG 3.53Å; A47-K53 WeakPolarHBondContact O-CE 3.18Å; A47-K53 PolarHBondContact O-NZ 3.36Å; S49-K53 PolarHBondContact O-N 3.26Å; S49-K53 VanDerWaalsContact O-N 3.16Å; D50-K53 PolarHBondContact O-N 3.42Å; K53-I56 PolarHBondContact O-N 2.91Å; K53-R57 WeakPolarHBondContact O-CB 3.36Å; K53-R57 VanDerWaalsContact O-CG 3.26Å; K53-R57 WeakPolarHBondContact O-CG 3.46Å; K53-R57 PolarHBondContact O-N 3.02Å
54E78.3Confident76.2Confident126 Ų12690.2 Ų90.259%0.58944%0.444SS*.Hα-helixtrans-64.1-44.1176.6-76.2177.2170.900112.4D50 A52 I56 R57 A58D50-E54 PolarHBondContact O-N 3.47Å; A52-E54 PolarHBondContact O-N 3.48Å; E54-I56 PolarHBondContact O-N 3.42Å; E54-R57 PolarHBondContact O-N 3.33Å; E54-A58 WeakPolarHBondContact O-CB 3.49Å; E54-A58 PolarHBondContact O-N 3.4Å
55S76.8Confident76.4Confident66 Ų6686.7 Ų86.746%0.46243%0.432SS..Hα-helixtrans-62.3-41.3177-170.50000112.4K51 A52 K59K51-S55 PolarHBondContact O-N 2.82Å; K51-S55 VanDerWaalsContact O-N 3.14Å; A52-S55 PolarHBondContact O-N 2.82Å; S55-K59 PolarHBondContact O-N 2.97Å
56I77.9Confident76.9Confident24 Ų2484.8 Ų84.812%0.12342%0.424CS..Hα-helixtrans-69.1-41.2177.4-62.1164.3000110.6L6 F39 I43 A52 K53 E54 A58 K59 C60L6-I56 HydrophobicContact CD1-CD1 4.04Å; L6-I56 HydrophobicContact CD1-CG1 4.41Å; L6-I56 HydrophobicContact CD2-CD1 4.48Å; F39-I56 HydrophobicContact CB-CG2 4.14Å; F39-I56 HydrophobicContact CD1-CG2 3.64Å; F39-I56 HydrophobicContact CE1-CG2 4.43Å; F39-I56 HydrophobicContact CG-CG2 4.21Å; I43-I56 HydrophobicContact CD1-CB 4.29Å; I43-I56 HydrophobicContact CD1-CG2 3.78Å; I43-I56 HydrophobicContact CG1-CB 4.12Å; I43-I56 HydrophobicContact CG1-CG2 3.75Å; A52-I56 WeakPolarHBondContact O-CD1 3.44Å; A52-I56 VanDerWaalsContact O-CG1 3.24Å; A52-I56 WeakPolarHBondContact O-CG1 3.38Å; A52-I56 PolarHBondContact O-N 3.04Å; K53-I56 PolarHBondContact O-N 2.91Å; E54-I56 PolarHBondContact O-N 3.42Å; I56-A58 PolarHBondContact O-N 3.27Å; I56-K59 PolarHBondContact O-N 3.15Å; I56-C60 PolarHBondContact O-N 2.84Å; I56-C60 PolarHBondContact O-SG 3.41Å
57R79.7Confident77.6Confident124 Ų12481.8 Ų81.847%0.46841%0.411SS..Hα-helixtrans-61.8-42.5176-78178.3-173.1136.8-1.3112.6I43 K53 E54 K59 C60 M61I43-R57 HydrophobicContact CD1-CG 3.68Å; K53-R57 WeakPolarHBondContact O-CB 3.36Å; K53-R57 VanDerWaalsContact O-CG 3.26Å; K53-R57 WeakPolarHBondContact O-CG 3.46Å; K53-R57 PolarHBondContact O-N 3.02Å; E54-R57 PolarHBondContact O-N 3.33Å; R57-K59 VanDerWaalsContact C-N 3.31Å; R57-K59 PolarHBondContact O-N 3.4Å; R57-C60 WeakPolarHBondContact O-CB 3.36Å; R57-C60 PolarHBondContact O-N 2.98Å; R57-M61 PolarHBondContact O-N 3.42Å
58A81.9Confident78.5Confident49 Ų4986.8 Ų86.841%0.40543%0.432SS..Hα-helixtrans-60-42.3177.400000111.6E54 I56 M61 Q62E54-A58 WeakPolarHBondContact O-CB 3.49Å; E54-A58 PolarHBondContact O-N 3.4Å; I56-A58 PolarHBondContact O-N 3.27Å; A58-M61 PolarHBondContact O-N 3.34Å; A58-Q62 PolarHBondContact O-N 2.98Å
59K78Confident79.6Confident108 Ų10883.7 Ų83.747%0.4742%0.416SS..Hα-helixtrans-68.4-38.9175.3-69.8-175.6179.7-177.60112.6S55 I56 R57 M61 Q62 Y63S55-K59 PolarHBondContact O-N 2.97Å; I56-K59 PolarHBondContact O-N 3.15Å; R57-K59 VanDerWaalsContact C-N 3.31Å; R57-K59 PolarHBondContact O-N 3.4Å; K59-M61 VanDerWaalsContact C-N 3.31Å; K59-M61 PolarHBondContact O-N 3.17Å; K59-Q62 WeakPolarHBondContact O-CB 3.38Å; K59-Q62 PolarHBondContact O-N 3.4Å; K59-Y63 HydrophobicContact CB-CE2 4.01Å; K59-Y63 WeakPolarHBondContact O-CD2 3.39Å; K59-Y63 PolarHBondContact O-N 2.92Å; K59-Y63 VanDerWaalsContact O-N 3.14Å
60C81.9Confident80.1Confident6 Ų680.8 Ų80.84%0.04140%0.395CS..Hα-helixtrans-58.4-43.6175-680000112.2F39 I56 R57 Q62 Y63 L64F39-C60 WeakPolarHBondContact CB-SG 3.49Å; I56-C60 PolarHBondContact O-N 2.84Å; I56-C60 PolarHBondContact O-SG 3.41Å; R57-C60 WeakPolarHBondContact O-CB 3.36Å; R57-C60 PolarHBondContact O-N 2.98Å; C60-Q62 VanDerWaalsContact C-N 3.3Å; C60-Q62 PolarHBondContact O-N 3.22Å; C60-Y63 PolarHBondContact O-N 3.36Å; C60-L64 WeakPolarHBondContact O-CB 3.5Å; C60-L64 PolarHBondContact O-N 2.85Å
61M79.2Confident80.9Confident132 Ų13280.9 Ų80.965%0.6539%0.39SS*.Hα-helixtrans-62.3-37.8177.9-73.7-162.1-67.900112.2R57 A58 K59 L64 D65R57-M61 PolarHBondContact O-N 3.42Å; A58-M61 PolarHBondContact O-N 3.34Å; K59-M61 VanDerWaalsContact C-N 3.31Å; K59-M61 PolarHBondContact O-N 3.17Å; M61-L64 PolarHBondContact O-N 3.09Å; M61-D65 WeakPolarHBondContact O-CB 3.33Å; M61-D65 PolarHBondContact O-N 2.76Å
62Q83.7Confident81.4Confident129 Ų12977 Ų7760%0.60338%0.377SS*.Hα-helixtrans-64.6-40.3175.9-68.8177-10.300112.4A58 K59 C60 R66A58-Q62 PolarHBondContact O-N 2.98Å; K59-Q62 WeakPolarHBondContact O-CB 3.38Å; K59-Q62 PolarHBondContact O-N 3.4Å; C60-Q62 VanDerWaalsContact C-N 3.3Å; C60-Q62 PolarHBondContact O-N 3.22Å; Q62-R66 PolarHBondContact O-N 3.16Å
63Y84.8Confident81.9Confident52 Ų5280.9 Ų80.920%0.20438%0.383CS..Hα-helixtrans-73.4-34.1178-59.3-48000112.8V13 Y32 F39 K59 C60 R66 A67V13-Y63 HydrophobicContact CG1-CD1 4.08Å; V13-Y63 HydrophobicContact CG1-CD2 4.49Å; V13-Y63 HydrophobicContact CG1-CE1 3.47Å; V13-Y63 VanDerWaalsContact CG1-CE1 3.47Å; V13-Y63 HydrophobicContact CG1-CE2 3.94Å; V13-Y63 VanDerWaalsContact CG1-CZ 3.41Å; V13-Y63 HydrophobicContact CG2-CD2 3.93Å; V13-Y63 HydrophobicContact CG2-CE2 3.83Å; V13-Y63 HydrophobicContact CG2-CG 4.36Å; Y32-Y63 HydrophobicContact CD1-CD1 4.22Å; Y32-Y63 HydrophobicContact CD1-CG 4.38Å; Y32-Y63 AromaticContact CE1-CD1 3.78Å; Y32-Y63 HydrophobicContact CE1-CD1 3.78Å; Y32-Y63 HydrophobicContact CE1-CG 4.38Å; F39-Y63 HydrophobicContact CE2-CD2 4.11Å; F39-Y63 HydrophobicContact CE2-CE2 4.1Å; F39-Y63 HydrophobicContact CZ-CE2 4.42Å; K59-Y63 HydrophobicContact CB-CE2 4.01Å; K59-Y63 WeakPolarHBondContact O-CD2 3.39Å; K59-Y63 PolarHBondContact O-N 2.92Å; K59-Y63 VanDerWaalsContact O-N 3.14Å; C60-Y63 PolarHBondContact O-N 3.36Å; Y63-R66 PolarHBondContact O-N 3.29Å; Y63-A67 WeakPolarHBondContact O-CB 3.43Å; Y63-A67 PolarHBondContact O-N 3.05Å
64L83.9Confident82.3Confident76 Ų7679.6 Ų79.640%0.39838%0.379SS..Hα-helixtrans-63.6-48172.9-85158.3000112.1V36 C60 M61 R66 A67 E68V36-L64 HydrophobicContact CG1-CD1 3.93Å; V36-L64 HydrophobicContact CG1-CD2 4.13Å; V36-L64 HydrophobicContact CG1-CG 4Å; V36-L64 HydrophobicContact CG2-CD2 4.32Å; V36-L64 HydrophobicContact CG2-CG 3.88Å; C60-L64 WeakPolarHBondContact O-CB 3.5Å; C60-L64 PolarHBondContact O-N 2.85Å; M61-L64 PolarHBondContact O-N 3.09Å; L64-R66 VanDerWaalsContact C-N 3.27Å; L64-R66 PolarHBondContact O-N 3.47Å; L64-A67 WeakPolarHBondContact O-CB 3.29Å; L64-A67 PolarHBondContact O-N 3.16Å; L64-A67 VanDerWaalsContact O-N 3.11Å; L64-E68 PolarHBondContact O-N 3.08Å
65D83Confident82.4Confident77 Ų7779.8 Ų79.841%0.41238%0.378SS..Hα-helixtrans-60-38.1176.8174.170.5000111.8M61 K69M61-D65 WeakPolarHBondContact O-CB 3.33Å; M61-D65 PolarHBondContact O-N 2.76Å; D65-K69 WeakPolarHBondContact O-CG 3.45Å; D65-K69 PolarHBondContact O-N 3.38Å; D65-K69 VanDerWaalsContact O-N 3.16Å; D65-K69 IonicContact OD1-NZ 3.81Å; D65-K69 PolarHBondContact OD1-NZ 2.81Å; D65-K69 WeakPolarHBondContact OD2-CE 3.49Å; D65-K69 IonicContact OD2-NZ 2.67Å; D65-K69 PolarHBondContact OD2-NZ 3.05Å
66R85.2Confident82.5Confident97 Ų9781.2 Ų81.237%0.36638%0.38SS..Hα-helixtrans-66.5-42.1174.1-174.359.4177.2165.95.8112.2D20 Y32 Q62 Y63 L64 K69 L70D20-R66 VanDerWaalsContact CG-NH2 3.26Å; D20-R66 IonicContact OD1-CZ 2.66Å; D20-R66 IonicContact OD1-NE 3.6Å; D20-R66 IonicContact OD1-NH2 2.68Å; D20-R66 PolarHBondContact OD1-NH2 2.89Å; D20-R66 IonicContact OD2-CZ 3.46Å; D20-R66 VanDerWaalsContact OD2-CZ 3.24Å; D20-R66 IonicContact OD2-NE 2.98Å; D20-R66 PolarHBondContact OD2-NE 3.03Å; D20-R66 IonicContact OD2-NH2 3.16Å; D20-R66 PolarHBondContact OD2-NH2 3.25Å; Y32-R66 HydrophobicContact CE2-CG 4.09Å; Q62-R66 PolarHBondContact O-N 3.16Å; Y63-R66 PolarHBondContact O-N 3.29Å; L64-R66 VanDerWaalsContact C-N 3.27Å; L64-R66 PolarHBondContact O-N 3.47Å; R66-K69 PolarHBondContact O-N 3.16Å; R66-L70 HydrophobicContact CG-CD1 4.47Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.35Å
67A83.8Confident82.2Confident8 Ų886.2 Ų86.27%0.06640%0.401CS..Hα-helixtrans-62.9-39.9177.300000112L29 Y63 L64 L70 K71L29-A67 HydrophobicContact CD1-CB 3.93Å; L29-A67 WeakPolarHBondContact CD1-O 3.4Å; Y63-A67 WeakPolarHBondContact O-CB 3.43Å; Y63-A67 PolarHBondContact O-N 3.05Å; L64-A67 WeakPolarHBondContact O-CB 3.29Å; L64-A67 PolarHBondContact O-N 3.16Å; L64-A67 VanDerWaalsContact O-N 3.11Å; A67-L70 PolarHBondContact O-N 3.12Å; A67-K71 WeakPolarHBondContact O-CB 3.34Å; A67-K71 PolarHBondContact O-N 3.16Å
68E82.4Confident81.3Confident121 Ų12186.5 Ų86.557%0.56541%0.412SS*.Hα-helixtrans-63.7-44.7175.5-74.9-178.3169.400112L64 L70 K71 D72L64-E68 PolarHBondContact O-N 3.08Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.22Å; E68-K71 WeakPolarHBondContact O-CB 3.4Å; E68-K71 PolarHBondContact O-N 2.96Å; E68-K71 VanDerWaalsContact O-N 3.14Å; E68-D72 PolarHBondContact O-N 3.4Å
69K87.5Confident80.1Confident113 Ų11391.2 Ų91.249%0.49142%0.423SS..Hα-helixtrans-59.5-40174.9-73.1168.4-178.9162.30112.8D65 R66 Y73D65-K69 WeakPolarHBondContact O-CG 3.45Å; D65-K69 PolarHBondContact O-N 3.38Å; D65-K69 VanDerWaalsContact O-N 3.16Å; D65-K69 IonicContact OD1-NZ 3.81Å; D65-K69 PolarHBondContact OD1-NZ 2.81Å; D65-K69 WeakPolarHBondContact OD2-CE 3.49Å; D65-K69 IonicContact OD2-NZ 2.67Å; D65-K69 PolarHBondContact OD2-NZ 3.05Å; R66-K69 PolarHBondContact O-N 3.16Å; K69-Y73 WeakPolarHBondContact O-CB 3.46Å; K69-Y73 PolarHBondContact O-N 3.16Å
70L83.8Confident78.8Confident6 Ų694.5 Ų94.53%0.03144%0.44CS..Hα-helixtrans-67.8-39.5176.1-72.7175.7000111.9Y25 A28 L29 Y32 R66 A67 E68 Y73 L74Y25-L70 HydrophobicContact CD1-CD2 3.34Å; Y25-L70 HydrophobicContact CE1-CD2 3.98Å; Y25-L70 HydrophobicContact CG-CD2 3.97Å; A28-L70 HydrophobicContact CB-CD1 4.15Å; L29-L70 HydrophobicContact CD1-CB 4.41Å; Y32-L70 HydrophobicContact CD2-CD1 4.01Å; Y32-L70 HydrophobicContact CE2-CD1 4Å; R66-L70 HydrophobicContact CG-CD1 4.47Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.35Å; A67-L70 PolarHBondContact O-N 3.12Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.22Å; L70-Y73 PolarHBondContact O-N 3.03Å; L70-L74 WeakPolarHBondContact O-CG 2.97Å; L70-L74 PolarHBondContact O-N 3.08Å
71K86.5Confident76.9Confident117 Ų11797.4 Ų97.451%0.50947%0.471SS..Hα-helixtrans-63.1-43.2176.7-171.8-179.8-179.5-178.30111.9L29 A67 E68 L74 K75L29-K71 HydrophobicContact CD1-CB 4.15Å; L29-K71 HydrophobicContact CD2-CB 4.26Å; L29-K71 HydrophobicContact CD2-CG 4.46Å; A67-K71 WeakPolarHBondContact O-CB 3.34Å; A67-K71 PolarHBondContact O-N 3.16Å; E68-K71 WeakPolarHBondContact O-CB 3.4Å; E68-K71 PolarHBondContact O-N 2.96Å; E68-K71 VanDerWaalsContact O-N 3.14Å; K71-L74 PolarHBondContact O-N 3.21Å; K71-K75 WeakPolarHBondContact O-CB 3.25Å; K71-K75 PolarHBondContact O-N 3.45Å
72D83.7Confident75Confident92 Ų92100 Ų10049%0.49248%0.479SS..Hα-helixtrans-68.2-36.7176.8-75.2-20.1000112.3E68 K75 N76E68-D72 PolarHBondContact O-N 3.4Å; D72-K75 PolarHBondContact O-N 3.32Å; D72-N76 WeakPolarHBondContact O-CB 3.39Å; D72-N76 PolarHBondContact O-N 3.19Å; D72-N76 PolarHBondContact O-ND2 3.34Å
73Y82.9Confident72.4Confident125 Ų125103.6 Ų103.649%0.4949%0.492SS..Hα-helixtrans-61.2-45.9173.6-177-98.8000112Y25 K69 L70 N76 K77Y25-Y73 AromaticContact CD2-CD1 3.93Å; Y25-Y73 HydrophobicContact CD2-CD1 3.93Å; Y25-Y73 AromaticContact CD2-CE1 3.63Å; Y25-Y73 HydrophobicContact CD2-CE1 3.63Å; Y25-Y73 HydrophobicContact CE2-CD1 4.24Å; Y25-Y73 AromaticContact CE2-CE1 3.64Å; Y25-Y73 HydrophobicContact CE2-CE1 3.64Å; Y25-Y73 HydrophobicContact CG-CD1 4.5Å; K69-Y73 WeakPolarHBondContact O-CB 3.46Å; K69-Y73 PolarHBondContact O-N 3.16Å; L70-Y73 PolarHBondContact O-N 3.03Å; Y73-N76 PolarHBondContact O-N 2.78Å; Y73-K77 PolarHBondContact O-N 2.91Å
74L82.9Confident70.1Confident24 Ų24107 Ų10713%0.12652%0.521CS..Hα-helixtrans-64.4-43.3176.5-70.2169.6000111.9E26 L29 L70 K71 N76 K77 D78E26-L74 HydrophobicContact CG-CD1 3.94Å; E26-L74 HydrophobicContact CG-CD2 3.83Å; L29-L74 HydrophobicContact CD2-CD1 4.11Å; L70-L74 WeakPolarHBondContact O-CG 2.97Å; L70-L74 PolarHBondContact O-N 3.08Å; K71-L74 PolarHBondContact O-N 3.21Å; L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 2.91Å; L74-K77 WeakPolarHBondContact O-CB 3.49Å; L74-K77 PolarHBondContact O-N 2.89Å; L74-K77 VanDerWaalsContact O-N 3.15Å; L74-D78 PolarHBondContact O-N 3.13Å
75K81.8Confident67.6Low129 Ų129110.1 Ų110.156%0.56154%0.543SS*.Hα-helixtrans-64-32.1178.6-163.7177.8-175.6-1770113K71 D72K71-K75 WeakPolarHBondContact O-CB 3.25Å; K71-K75 PolarHBondContact O-N 3.45Å; D72-K75 PolarHBondContact O-N 3.32Å
76N78.4Confident65.2Low96 Ų96115.6 Ų115.651%0.51356%0.563SS.*Hα-helixtrans-79.4-30.9174.7-75-23.2000112.7D72 Y73 L74 K79 Q80D72-N76 WeakPolarHBondContact O-CB 3.39Å; D72-N76 PolarHBondContact O-N 3.19Å; D72-N76 PolarHBondContact O-ND2 3.34Å; Y73-N76 PolarHBondContact O-N 2.78Å; L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 2.91Å; N76-K79 PolarHBondContact O-N 2.64Å; N76-Q80 PolarHBondContact O-N 2.78Å
77K71.6Confident62.4Low129 Ų129120.6 Ų120.656%0.56159%0.591SS**Hα-helixtrans-65.2-39.9173.2-166-179.6176.8-171.90111.7Y73 L74 K79 Q80Y73-K77 PolarHBondContact O-N 2.91Å; L74-K77 WeakPolarHBondContact O-CB 3.49Å; L74-K77 PolarHBondContact O-N 2.89Å; L74-K77 VanDerWaalsContact O-N 3.15Å; K77-K79 VanDerWaalsContact C-N 3.28Å; K77-K79 PolarHBondContact O-N 2.85Å; K77-Q80 PolarHBondContact O-N 3.37Å
78D60.7Low59.7Low130 Ų130124.5 Ų124.570%0.69562%0.623SS**Hα-helixtrans-65.7-27.4175.3-82.3-27.3000113.7L74 G81L74-D78 PolarHBondContact O-N 3.13Å; D78-G81 PolarHBondContact O-N 3.34Å
79K56.7Low57Low148 Ų148128 Ų12864%0.64364%0.639SS**Hα-helixtrans-74.9-24.3176.2-75.2179.9178.4-179.90113.6N76 K77 G81N76-K79 PolarHBondContact O-N 2.64Å; K77-K79 VanDerWaalsContact C-N 3.28Å; K77-K79 PolarHBondContact O-N 2.85Å; K79-G81 VanDerWaalsContact C-N 3.35Å
80Q49.5Very low54.1Low177 Ų177127.8 Ų127.883%0.82765%0.652SS**Hα-helixtrans-81.4-11.9175.1-76-175.7-0.500113.6N76 K77N76-Q80 PolarHBondContact O-N 2.78Å; K77-Q80 PolarHBondContact O-N 3.37Å
81G42.9Very low51.3Low67 Ų67135 Ų13569%0.69169%0.691SS**THydrogen-bonded Turntrans-86.3-7.3-178.800000116.3D78 K79D78-G81 PolarHBondContact O-N 3.34Å; K79-G81 VanDerWaalsContact C-N 3.35Å
82K38.9Very low48.4Very low188 Ų188137.4 Ų137.482%0.81771%0.709SS**  trans-117.396.2179.9-76.4-177.9177.2176.40111.5
83K30.3Very low45.8Very low203 Ų203142.4 Ų142.488%0.88373%0.726SS**PPolyproline II helixtrans-93127.1160.9-80-177176.6176.10109.9
84P36.6Very low43Very low123 Ų123142.1 Ų142.180%0.79974%0.743SS**PPolyproline II helixtrans-91.2152.8148.83.216.6000110.5
85V31.4Very low40.4Very low142 Ų142149.1 Ų149.186%0.86178%0.78SS**PPolyproline II helixtrans-68.8145.9-173.1174.40000111.9
86K31.7Very low37.8Very low192 Ų192147.6 Ų147.684%0.83579%0.786SS**PPolyproline II helixtrans-56.7142.5172.4-77.2174.4167.9179.70112.2
87E26.3Very low35.5Very low203 Ų203149.6 Ų149.695%0.94980%0.797SS**  trans-141.7145.1133.1-109.7176.7-168.400109.5
88A26.3Very low33.7Very low89 Ų89149.5 Ų149.574%0.73681%0.812SS**  trans-109.4147.1-157.400000112.3
89Q27.3Very low32.5Very low194 Ų194152 Ų15291%0.90782%0.819SS**  trans161.6139.2148.9-90.9164.631.700105.8
90S25.9Very low31.7Very low109 Ų109148.1 Ų148.176%0.76282%0.822SS**  cis-166.7147.7-2.839.80000105.1
91N24.7Very low31.4Very low159 Ų159146.5 Ų146.585%0.8581%0.814SS**  trans-54.3138.2179.8-73.2-34000112.8
92D25.9Very low32.1Very low167 Ų167146.4 Ų146.489%0.89380%0.798SS**  -142.8132.9126.9-131.4-15.8000110.5
93K28.3Very low33Very low196 Ų196142.2 Ų142.285%0.85279%0.79SS**  trans-95.3127.9-177.1-94.7180171.6-178.80108.8
94S25.7Very low34.2Very low120 Ų120138.1 Ų138.184%0.83977%0.774SS**  trans-147.7117.9147.760.40000109.8
95D27.9Very low35.2Very low170 Ų170139 Ų13991%0.90977%0.765SS**  trans-50.5137.4175.7-76-49.4000114
96S27.3Very low36.7Very low98 Ų98137 Ų13769%0.68575%0.745SS**  trans-176113.7132.2170.50000110
97D29.9Very low38.2Very low138 Ų138134.4 Ų134.474%0.73873%0.734SS**  trans58.685.6145-52.8-43.1000119.6E99D97-E99 PolarHBondContact O-N 3.48Å
98S32.5Very low39.8Very low126 Ų126125.5 Ų125.588%0.88169%0.692SS**  trans-62.883.1148.5158.10000110.1
99E36.7Very low41.3Very low182 Ų182125.1 Ų125.185%0.8568%0.675SS**  trans-86119.1155.5-77.1-157.8158.500109.5D97 E101D97-E99 PolarHBondContact O-N 3.48Å; E99-E101 PolarHBondContact O-N 3.17Å
100G38.8Very low43.1Very low67 Ų67122.3 Ų122.369%0.69166%0.662SS**  trans-53.2137.217900000112.1N102G100-N102 PolarHBondContact O-N 3.07Å
101E44Very low44.7Very low143 Ų143120.6 Ų120.667%0.66864%0.642SS**  trans-55.7101.6168.9-74.7-175.8150.600109.2E99 K106E99-E101 PolarHBondContact O-N 3.17Å; E101-K106 WeakPolarHBondContact OE2-CE 3.5Å; E101-K106 IonicContact OE2-NZ 2.73Å; E101-K106 PolarHBondContact OE2-NZ 3.02Å
102N57.3Low46.3Very low66 Ų66113.2 Ų113.235%0.35360%0.603SS.*  trans-54.3122.1-179.8-175.2-2.2000109.1G100 E104 K105 K106G100-N102 PolarHBondContact O-N 3.07Å; N102-E104 PolarHBondContact O-N 3.38Å; N102-E104 PolarHBondContact OD1-N 3.24Å; N102-K105 HydrophobicContact CB-CG 4.31Å; N102-K105 WeakPolarHBondContact O-CA 3.32Å; N102-K105 WeakPolarHBondContact O-CB 3.39Å; N102-K105 PolarHBondContact O-N 3.06Å; N102-K106 PolarHBondContact O-N 3.46Å
103P58Low48Very low100 Ų100111.8 Ų111.865%0.64959%0.592SS**Hα-helixtrans-55.5-25.1178.919.4-31.8000113K106 K107P103-K106 PolarHBondContact O-N 2.86Å; P103-K107 WeakPolarHBondContact O-CB 3.39Å; P103-K107 PolarHBondContact O-N 3.17Å
104E55.9Low49.7Very low116 Ų116105.8 Ų105.854%0.54259%0.586SS.*Hα-helixtrans-65.1-37.7171.2-62.6-173.2153.300113N102 L108N102-E104 PolarHBondContact O-N 3.38Å; N102-E104 PolarHBondContact OD1-N 3.24Å; E104-L108 WeakPolarHBondContact O-CB 2.72Å; E104-L108 PolarHBondContact O-N 3.32Å
105K57.4Low51.5Low142 Ų142101.2 Ų101.262%0.61756%0.556SS**Hα-helixtrans-66.3-38.8176-77.8-175.6176.9176.70111.2N102 Q109N102-K105 HydrophobicContact CB-CG 4.31Å; N102-K105 WeakPolarHBondContact O-CA 3.32Å; N102-K105 WeakPolarHBondContact O-CB 3.39Å; N102-K105 PolarHBondContact O-N 3.06Å; K105-Q109 VanDerWaalsContact O-CB 3.29Å; K105-Q109 WeakPolarHBondContact O-CB 3.47Å; K105-Q109 VanDerWaalsContact O-CG 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.31Å; K105-Q109 PolarHBondContact O-N 2.96Å
106K62.7Low53.5Low101 Ų10193.5 Ų93.544%0.43951%0.514SS..Hα-helixtrans-66.5-46.2175.4-93-179.3178.8156.90112.3E101 N102 P103 L108 Q109 E110E101-K106 WeakPolarHBondContact OE2-CE 3.5Å; E101-K106 IonicContact OE2-NZ 2.73Å; E101-K106 PolarHBondContact OE2-NZ 3.02Å; N102-K106 PolarHBondContact O-N 3.46Å; P103-K106 PolarHBondContact O-N 2.86Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 3.28Å; K106-Q109 CarbonylContact O-C 3.59Å; K106-Q109 WeakPolarHBondContact O-CB 3.32Å; K106-Q109 PolarHBondContact O-N 2.86Å; K106-Q109 VanDerWaalsContact O-N 3.15Å; K106-E110 WeakPolarHBondContact O-CG 3.25Å; K106-E110 PolarHBondContact O-N 3.4Å
107K63.9Low55.7Low137 Ų13792.6 Ų92.660%0.59650%0.504SS*.Hα-helixtrans-62.7-39.7176.4-170.8176.2177-176.90112P103 E110 Q111P103-K107 WeakPolarHBondContact O-CB 3.39Å; P103-K107 PolarHBondContact O-N 3.17Å; K107-E110 PolarHBondContact O-N 2.84Å; K107-Q111 WeakPolarHBondContact O-CG 3.39Å; K107-Q111 PolarHBondContact O-N 2.87Å
108L59.1Low58.3Low15 Ų1590 Ų908%0.07949%0.489CS..Hα-helixtrans-68.2-39.2173.4-124.2108.6000111.6E104 K106 E110 Q111 L112 K206 L207 N210E104-L108 WeakPolarHBondContact O-CB 2.72Å; E104-L108 PolarHBondContact O-N 3.32Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 3.28Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 3.01Å; L108-Q111 CarbonylContact O-C 3.47Å; L108-Q111 PolarHBondContact O-N 3.46Å; L108-L112 HydrophobicContact CD2-CD1 4.4Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.49Å; L108-L112 WeakPolarHBondContact O-CD1 3.34Å; L108-L112 WeakPolarHBondContact O-CG 3.43Å; L108-L112 PolarHBondContact O-N 3.28Å; L108-K206 HydrophobicContact CD1-CB 4.48Å; L108-K206 HydrophobicContact CD1-CD 4.15Å; L108-K206 HydrophobicContact CD2-CB 3.55Å; L108-L207 HydrophobicContact CD2-CD2 4.08Å; L108-N210 WeakPolarHBondContact CD2-ND2 3.3Å
109Q58.2Low60.5Low82 Ų8286.6 Ų86.638%0.38346%0.459SS..Hα-helixtrans-60.2-39.6173.2-83.9178.3-21.500112K105 K106 L112 M113K105-Q109 VanDerWaalsContact O-CB 3.29Å; K105-Q109 WeakPolarHBondContact O-CB 3.47Å; K105-Q109 VanDerWaalsContact O-CG 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.31Å; K105-Q109 PolarHBondContact O-N 2.96Å; K106-Q109 CarbonylContact O-C 3.59Å; K106-Q109 WeakPolarHBondContact O-CB 3.32Å; K106-Q109 PolarHBondContact O-N 2.86Å; K106-Q109 VanDerWaalsContact O-N 3.15Å; Q109-L112 WeakPolarHBondContact O-CB 3.34Å; Q109-L112 PolarHBondContact O-N 3.13Å; Q109-M113 WeakPolarHBondContact O-CG 3.35Å; Q109-M113 PolarHBondContact O-N 3.3Å
110E65.1Low62.7Low135 Ų13584.8 Ų84.863%0.63145%0.449SS*.Hα-helixtrans-66.9-42.1174.3-73169179.700111.9K106 K107 L108 L112 M113 G114K106-E110 WeakPolarHBondContact O-CG 3.25Å; K106-E110 PolarHBondContact O-N 3.4Å; K107-E110 PolarHBondContact O-N 2.84Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 3.01Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-L112 PolarHBondContact O-N 3.3Å; E110-M113 PolarHBondContact O-N 2.77Å; E110-G114 PolarHBondContact O-N 3.27Å; E110-G114 VanDerWaalsContact O-N 3.17Å
111Q60.6Low64.7Low73 Ų7382.2 Ų82.234%0.34142%0.419SS..Hα-helixtrans-62-37.7171.6-73.5176-36.900112K107 L108 G114 A115K107-Q111 WeakPolarHBondContact O-CG 3.39Å; K107-Q111 PolarHBondContact O-N 2.87Å; L108-Q111 CarbonylContact O-C 3.47Å; L108-Q111 PolarHBondContact O-N 3.46Å; Q111-G114 PolarHBondContact O-N 3.47Å; Q111-A115 PolarHBondContact O-N 2.96Å
112L58.2Low66.7Low4 Ų481.4 Ų81.42%0.02142%0.42CS..Hα-helixtrans-67-39.3175.5-74.7157000112L108 Q109 E110 G114 A115 I116 L207 N210 L214L108-L112 HydrophobicContact CD2-CD1 4.4Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.49Å; L108-L112 WeakPolarHBondContact O-CD1 3.34Å; L108-L112 WeakPolarHBondContact O-CG 3.43Å; L108-L112 PolarHBondContact O-N 3.28Å; Q109-L112 WeakPolarHBondContact O-CB 3.34Å; Q109-L112 PolarHBondContact O-N 3.13Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-L112 PolarHBondContact O-N 3.3Å; L112-G114 PolarHBondContact O-N 3.33Å; L112-A115 PolarHBondContact O-N 3.35Å; L112-I116 HydrophobicContact CB-CD1 4.11Å; L112-I116 HydrophobicContact CD2-CD1 3.32Å; L112-I116 HydrophobicContact CD2-CG1 4.33Å; L112-I116 HydrophobicContact CG-CD1 4.33Å; L112-I116 WeakPolarHBondContact O-CA 3.5Å; L112-I116 VanDerWaalsContact O-CB 3.25Å; L112-I116 WeakPolarHBondContact O-CB 3.47Å; L112-I116 PolarHBondContact O-N 3.21Å; L112-L207 HydrophobicContact CD2-CB 4.23Å; L112-L207 HydrophobicContact CD2-CD2 3.5Å; L112-L207 VanDerWaalsContact CD2-CD2 3.5Å; L112-L207 HydrophobicContact CD2-CG 4.48Å; L112-L207 HydrophobicContact CG-CD2 3.63Å; L112-N210 HydrophobicContact CD1-CB 3.23Å; L112-N210 WeakPolarHBondContact CD1-ND2 3.4Å; L112-N210 HydrophobicContact CD2-CB 4.07Å; L112-N210 HydrophobicContact CG-CB 4.31Å; L112-L214 HydrophobicContact CB-CD1 4.46Å
113M59.9Low68.2Low136 Ų13679 Ų7967%0.6741%0.407SS*.Hα-helixtrans-65-26.3173.8-72.2-173.280.800112.2Q109 E110Q109-M113 WeakPolarHBondContact O-CG 3.35Å; Q109-M113 PolarHBondContact O-N 3.3Å; E110-M113 PolarHBondContact O-N 2.77Å
114G64.1Low69.8Low70 Ų7080.8 Ų80.872%0.72240%0.401SS*.Hα-helixtrans-78.6-37.9173.600000113.9E110 Q111 L112E110-G114 PolarHBondContact O-N 3.27Å; E110-G114 VanDerWaalsContact O-N 3.17Å; Q111-G114 PolarHBondContact O-N 3.47Å; L112-G114 PolarHBondContact O-N 3.33Å
115A63.8Low71.4Confident25 Ų2576.3 Ų76.321%0.20738%0.379CS..Hα-helixtrans-91-27.2-175.900000114.1Q111 L112 D195Q111-A115 PolarHBondContact O-N 2.96Å; L112-A115 PolarHBondContact O-N 3.35Å; A115-D195 HydrophobicContact CB-CB 4.39Å
116I69.8Low72.9Confident7 Ų775.8 Ų75.84%0.03638%0.383CS..SBendtrans-107.2113.6-178-56.9164.6000108.6L112 M118 F189 L211L112-I116 HydrophobicContact CB-CD1 4.11Å; L112-I116 HydrophobicContact CD2-CD1 3.32Å; L112-I116 HydrophobicContact CD2-CG1 4.33Å; L112-I116 HydrophobicContact CG-CD1 4.33Å; L112-I116 WeakPolarHBondContact O-CA 3.5Å; L112-I116 VanDerWaalsContact O-CB 3.25Å; L112-I116 WeakPolarHBondContact O-CB 3.47Å; L112-I116 PolarHBondContact O-N 3.21Å; I116-M118 HydrophobicContact CG2-CG 4.47Å; I116-M118 PolarHBondContact O-N 2.85Å; I116-F189 HydrophobicContact CG2-CB 4.09Å; I116-F189 HydrophobicContact CG2-CD1 3.74Å; I116-F189 HydrophobicContact CG2-CG 4.43Å; I116-L211 HydrophobicContact CD1-CB 3.87Å; I116-L211 HydrophobicContact CD1-CD1 3.61Å; I116-L211 HydrophobicContact CD1-CG 4.28Å; I116-L211 HydrophobicContact CG1-CD1 4.1Å; I116-L211 HydrophobicContact CG2-CD1 3.98Å
117V74.8Confident74Confident79 Ų7974 Ų7448%0.47938%0.378SS..EExtended strand (participates in β ladder)trans-80.7103.1173.7-177.10000107.8E119 S190V117-E119 HydrophobicContact CG1-CB 4.28Å; V117-E119 HydrophobicContact CG1-CG 4.25Å; V117-S190 PolarHBondContact N-O 2.93Å; V117-S190 PolarHBondContact O-N 3.26Å
118M82.7Confident75.2Confident84 Ų8467.8 Ų67.841%0.41435%0.352SS..EExtended strand (participates in β ladder)trans-82.3109.5166.2-68.1-172.2-68.800108.7I116 F188 F189I116-M118 HydrophobicContact CG2-CG 4.47Å; I116-M118 PolarHBondContact O-N 2.85Å; M118-F188 WeakPolarHBondContact CA-O 3.05Å; M118-F189 HydrophobicContact CG-CD1 3.61Å; M118-F189 HydrophobicContact CG-CE1 3.53Å; M118-F189 HydrophobicContact SD-CD1 4.21Å; M118-F189 HydrophobicContact SD-CE1 3.5Å; M118-F189 WeakPolarHBondContact SD-CE1 3.33Å; M118-F189 HydrophobicContact SD-CZ 4.25Å
119E80.4Confident76.7Confident54 Ų5467.4 Ų67.425%0.25235%0.351SS..EExtended strand (participates in β ladder)trans-130.2157.4178.358.8177-171.200111.9V117 K177 F188V117-E119 HydrophobicContact CG1-CB 4.28Å; V117-E119 HydrophobicContact CG1-CG 4.25Å; E119-K177 VanDerWaalsContact OE1-CE 3.27Å; E119-K177 WeakPolarHBondContact OE1-CE 3.38Å; E119-K177 IonicContact OE1-NZ 2.86Å; E119-K177 PolarHBondContact OE1-NZ 3.48Å; E119-K177 IonicContact OE2-NZ 3.92Å; E119-F188 HydrophobicContact CG-CD1 3.79Å; E119-F188 PolarHBondContact N-O 3.41Å; E119-F188 WeakPolarHBondContact O-CB 3.17Å; E119-F188 PolarHBondContact O-N 3.11Å
120K81.5Confident78.2Confident145 Ų14564.1 Ų64.163%0.6334%0.339SS*.  trans-109.292.4160.9-73.8-172.8175.6-174.10106.3
121P81.8Confident79.3Confident12 Ų1259.1 Ų59.18%0.07832%0.317CS..  trans-61.4153.2-179.324.6-30.2000109.8K177 A180 T181 F188P121-K177 HydrophobicContact CB-CB 3.86Å; P121-K177 HydrophobicContact CB-CG 4.19Å; P121-K177 HydrophobicContact CG-CB 4.19Å; P121-K177 WeakPolarHBondContact CG-O 3.27Å; P121-A180 HydrophobicContact CG-CB 3.76Å; P121-T181 PolarHBondContact O-OG1 2.66Å; P121-F188 HydrophobicContact CG-CB 4.4Å; P121-F188 HydrophobicContact CG-CG 4.47Å
122N86.4Confident80.6Confident126 Ų12660.4 Ų60.467%0.67432%0.323SS*.  trans-120.152.9174.3-173.233.3000109.5
123V89.1Confident82.1Confident15 Ų1561.8 Ų61.89%0.09134%0.338CS..  trans-109.5124.9176.6-179.40000106.9D127 V128 Y174 K177 A178 T181V123-D127 HydrophobicContact CG1-CB 4.16Å; V123-V128 HydrophobicContact CG1-CG2 4.48Å; V123-Y174 HydrophobicContact CG1-CD1 4.09Å; V123-Y174 HydrophobicContact CG1-CE1 3.54Å; V123-Y174 HydrophobicContact CG1-CE2 4.05Å; V123-Y174 HydrophobicContact CG2-CE2 3.97Å; V123-K177 HydrophobicContact CB-CB 4.35Å; V123-K177 HydrophobicContact CG2-CB 4.14Å; V123-A178 HydrophobicContact CB-CB 4.46Å; V123-A178 HydrophobicContact CG1-CB 3.95Å; V123-A178 WeakPolarHBondContact O-CA 3.33Å; V123-T181 PolarHBondContact N-OG1 2.68Å; V123-T181 VanDerWaalsContact N-OG1 3.13Å; V123-T181 WeakPolarHBondContact O-CB 3.46Å; V123-T181 WeakPolarHBondContact O-CG2 3.44Å; V123-T181 PolarHBondContact O-OG1 3.15Å; V123-T181 VanDerWaalsContact O-OG1 3.05Å
124R90.3Very high83.6Confident138 Ų13855.7 Ų55.752%0.52131%0.31SS..  trans-100.2165.9-179.2-63.5179.2-179.6-97.51.3110.9N126 D127R124-N126 PolarHBondContact O-N 3.01Å; R124-N126 VanDerWaalsContact O-N 3.16Å; R124-D127 PolarHBondContact N-OD2 3.42Å; R124-D127 WeakPolarHBondContact O-CB 3.46Å; R124-D127 PolarHBondContact O-N 3.43Å
125W89.8Confident84.9Confident22 Ų2252.9 Ų52.98%0.08328%0.277CS..G310 helixtrans-56.3-31.5173.9-68.3122.6000113.8D127 V128 K135 L138 K139 I143 L175 A178 V179 E182W125-D127 VanDerWaalsContact C-N 3.28Å; W125-D127 PolarHBondContact O-N 2.91Å; W125-V128 PolarHBondContact O-N 2.99Å; W125-K135 HydrophobicContact CE3-CB 4.43Å; W125-K135 HydrophobicContact CE3-CD 4.35Å; W125-K135 HydrophobicContact CE3-CG 3.89Å; W125-K135 HydrophobicContact CZ3-CB 4.4Å; W125-K135 HydrophobicContact CZ3-CG 4.01Å; W125-L138 HydrophobicContact CH2-CB 4.16Å; W125-K139 HydrophobicContact CZ2-CG 4.13Å; W125-I143 HydrophobicContact CZ2-CG1 4.49Å; W125-L175 HydrophobicContact CE3-CD1 4.47Å; W125-L175 HydrophobicContact CZ3-CD1 3.73Å; W125-A178 HydrophobicContact CE3-CB 4.15Å; W125-A178 HydrophobicContact CZ3-CB 4.22Å; W125-V179 HydrophobicContact CH2-CB 4.33Å; W125-V179 HydrophobicContact CH2-CG2 3.52Å; W125-V179 HydrophobicContact CZ2-CG2 4.33Å; W125-V179 HydrophobicContact CZ3-CG2 4.25Å; W125-E182 HydrophobicContact CD2-CG 4.16Å; W125-E182 HydrophobicContact CG-CG 4Å; W125-E182 HydrophobicContact CZ2-CB 4.15Å; W125-E182 HydrophobicContact CZ2-CG 4.38Å; W125-E182 PolarHBondContact N-OE1 3.43Å; W125-E182 PolarHBondContact NE1-OE2 3.04Å
126N87.9Confident86.2Confident132 Ų13257.6 Ų57.671%0.70630%0.295SS*.G310 helixtrans-72.7-21.7-179.9-67-11.5000113.1R124 V128R124-N126 PolarHBondContact O-N 3.01Å; R124-N126 VanDerWaalsContact O-N 3.16Å; N126-V128 VanDerWaalsContact C-N 3.26Å
127D87.1Confident87.2Confident62 Ų6257.4 Ų57.433%0.33229%0.294SS..G310 helixtrans-80.3-14.9177-53.9-36.8000111.1V123 R124 W125 Y174V123-D127 HydrophobicContact CG1-CB 4.16Å; R124-D127 PolarHBondContact N-OD2 3.42Å; R124-D127 WeakPolarHBondContact O-CB 3.46Å; R124-D127 PolarHBondContact O-N 3.43Å; W125-D127 VanDerWaalsContact C-N 3.28Å; W125-D127 PolarHBondContact O-N 2.91Å; D127-Y174 HydrophobicContact CB-CE1 4.27Å
128V89.7Confident88Confident8 Ų853.6 Ų53.65%0.04827%0.272CS..SBendtrans-95.4109.7175.7-172.90000109.4V123 W125 N126 L131 K135 Y174 L175 A178V123-V128 HydrophobicContact CG1-CG2 4.48Å; W125-V128 PolarHBondContact O-N 2.99Å; N126-V128 VanDerWaalsContact C-N 3.26Å; V128-L131 HydrophobicContact CG1-CD1 4.32Å; V128-K135 VanDerWaalsContact O-CE 3.25Å; V128-K135 WeakPolarHBondContact O-CE 3.25Å; V128-K135 PolarHBondContact O-NZ 3.15Å; V128-Y174 HydrophobicContact CG2-CD1 3.94Å; V128-Y174 HydrophobicContact CG2-CE1 4.14Å; V128-L175 HydrophobicContact CG1-CD1 4.08Å; V128-A178 HydrophobicContact CG2-CB 3.76Å
129A89.8Confident88.5Confident6 Ų653.6 Ų53.65%0.0527%0.269CS..  trans-76.2133.1177.700000112.5Q300 M301 L304A129-Q300 HydrophobicContact CB-CB 4Å; A129-Q300 HydrophobicContact CB-CG 3.88Å; A129-M301 HydrophobicContact CB-CE 4.05Å; A129-M301 HydrophobicContact CB-CG 3.6Å; A129-L304 HydrophobicContact CB-CD1 4.02Å
130G88.8Confident88.9Confident14 Ų1456.4 Ų56.414%0.14428%0.282CS..SBendtrans65.7-148.317900000114.1E132 K135G130-E132 VanDerWaalsContact C-N 3.31Å; G130-E132 PolarHBondContact O-N 3Å; G130-K135 WeakPolarHBondContact O-CE 3.42Å; G130-K135 PolarHBondContact O-NZ 2.92Å
131L88.3Confident89.2Confident30 Ų3049.9 Ų49.916%0.15726%0.255CS..  trans58.734.7178.8-58.7176.4000114.2V128 G133 A134 K135 I290 P291V128-L131 HydrophobicContact CG1-CD1 4.32Å; L131-G133 PolarHBondContact O-N 2.94Å; L131-A134 HydrophobicContact CB-CB 4.26Å; L131-A134 PolarHBondContact O-N 3.14Å; L131-A134 VanDerWaalsContact O-N 3.09Å; L131-K135 WeakPolarHBondContact O-CG 3.39Å; L131-K135 PolarHBondContact O-N 3.33Å; L131-I290 HydrophobicContact CD1-CG2 3.87Å; L131-I290 HydrophobicContact CD2-CG2 3.86Å; L131-P291 HydrophobicContact CD2-CG 4.06Å
132E89.4Confident89.5Confident99 Ų9949.6 Ų49.646%0.46325%0.254SS..Hα-helixtrans-59.1-43.2-173.2-61.6-51.6139.200113G130 A134 K135 E136G130-E132 VanDerWaalsContact C-N 3.31Å; G130-E132 PolarHBondContact O-N 3Å; E132-A134 PolarHBondContact O-N 3.34Å; E132-K135 WeakPolarHBondContact O-CB 3.29Å; E132-K135 PolarHBondContact O-N 3.07Å; E132-K135 IonicContact OE1-NZ 2.68Å; E132-K135 PolarHBondContact OE1-NZ 3.34Å; E132-K135 IonicContact OE2-NZ 3.9Å; E132-E136 WeakPolarHBondContact O-CB 3.47Å; E132-E136 WeakPolarHBondContact O-CG 3.32Å; E132-E136 PolarHBondContact O-N 2.94Å
133G88.5Confident89.6Confident34 Ų3445.2 Ų45.235%0.35123%0.23SC..Hα-helixtrans-60.6-42.2174.400000113.2L131 E136 A137L131-G133 PolarHBondContact O-N 2.94Å; G133-E136 PolarHBondContact O-N 3.18Å; G133-A137 WeakPolarHBondContact O-CB 3.36Å; G133-A137 PolarHBondContact O-N 3.1Å
134A90.8Very high89.6Confident8 Ų847.4 Ų47.47%0.06624%0.241CC..Hα-helixtrans-68-37.4176.400000112.4L131 E132 L138 L175 I288 I290L131-A134 HydrophobicContact CB-CB 4.26Å; L131-A134 PolarHBondContact O-N 3.14Å; L131-A134 VanDerWaalsContact O-N 3.09Å; E132-A134 PolarHBondContact O-N 3.34Å; A134-L138 WeakPolarHBondContact O-CB 3.33Å; A134-L138 WeakPolarHBondContact O-CD1 3.49Å; A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.48Å; A134-L138 PolarHBondContact O-N 3.27Å; A134-L175 HydrophobicContact CB-CD2 4.36Å; A134-I288 HydrophobicContact CB-CG2 3.68Å; A134-I290 HydrophobicContact CB-CD1 3.58Å
135K92Very high89.5Confident10 Ų1041.8 Ų41.84%0.04322%0.222CC..Hα-helixtrans-64.2-43.1173.8-71.2173.3179.9167.60111.1W125 V128 G130 L131 E132 L138 K139 L175W125-K135 HydrophobicContact CE3-CB 4.43Å; W125-K135 HydrophobicContact CE3-CD 4.35Å; W125-K135 HydrophobicContact CE3-CG 3.89Å; W125-K135 HydrophobicContact CZ3-CB 4.4Å; W125-K135 HydrophobicContact CZ3-CG 4.01Å; V128-K135 VanDerWaalsContact O-CE 3.25Å; V128-K135 WeakPolarHBondContact O-CE 3.25Å; V128-K135 PolarHBondContact O-NZ 3.15Å; G130-K135 WeakPolarHBondContact O-CE 3.42Å; G130-K135 PolarHBondContact O-NZ 2.92Å; L131-K135 WeakPolarHBondContact O-CG 3.39Å; L131-K135 PolarHBondContact O-N 3.33Å; E132-K135 WeakPolarHBondContact O-CB 3.29Å; E132-K135 PolarHBondContact O-N 3.07Å; E132-K135 IonicContact OE1-NZ 2.68Å; E132-K135 PolarHBondContact OE1-NZ 3.34Å; E132-K135 IonicContact OE2-NZ 3.9Å; K135-L138 PolarHBondContact O-N 3.35Å; K135-K139 WeakPolarHBondContact O-CB 3.38Å; K135-K139 WeakPolarHBondContact O-CG 3.28Å; K135-K139 PolarHBondContact O-N 2.86Å; K135-L175 HydrophobicContact CG-CD1 4.28Å
136E92.1Very high89.2Confident125 Ų12543.5 Ų43.558%0.58423%0.232SC*.Hα-helixtrans-63.3-48.8176.7-76-177.9171.600111.3E132 G133 L138 K139 E140E132-E136 WeakPolarHBondContact O-CB 3.47Å; E132-E136 WeakPolarHBondContact O-CG 3.32Å; E132-E136 PolarHBondContact O-N 2.94Å; G133-E136 PolarHBondContact O-N 3.18Å; E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 2.81Å; E136-K139 WeakPolarHBondContact O-CB 3.12Å; E136-K139 PolarHBondContact O-N 2.86Å; E136-K139 VanDerWaalsContact O-N 3.12Å; E136-E140 PolarHBondContact O-N 2.75Å
137A90.9Very high89.1Confident2 Ų244 Ų442%0.01723%0.228CC..Hα-helixtrans-58.2-38.917600000112.5G133 A141 I288G133-A137 WeakPolarHBondContact O-CB 3.36Å; G133-A137 PolarHBondContact O-N 3.1Å; A137-A141 WeakPolarHBondContact O-CB 3.4Å; A137-A141 PolarHBondContact O-N 2.88Å; A137-I288 HydrophobicContact CB-CD1 3.84Å; A137-I288 HydrophobicContact CB-CG1 4.34Å
138L91.7Very high89.2Confident0 Ų044.8 Ų44.80%023%0.229CC..Hα-helixtrans-73.3-37.2175.5-75.8166.1000113W125 A134 K135 E136 E140 A141 V142 I162 L164 L175 V179 L267 I288W125-L138 HydrophobicContact CH2-CB 4.16Å; A134-L138 WeakPolarHBondContact O-CB 3.33Å; A134-L138 WeakPolarHBondContact O-CD1 3.49Å; A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.48Å; A134-L138 PolarHBondContact O-N 3.27Å; K135-L138 PolarHBondContact O-N 3.35Å; E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 2.81Å; L138-E140 VanDerWaalsContact C-N 3.32Å; L138-A141 PolarHBondContact O-N 3.04Å; L138-V142 HydrophobicContact CD2-CG2 4.36Å; L138-V142 VanDerWaalsContact O-CB 3.32Å; L138-V142 WeakPolarHBondContact O-CB 3.08Å; L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 3.26Å; L138-I162 HydrophobicContact CD2-CD1 4.31Å; L138-I162 HydrophobicContact CD2-CG2 4.27Å; L138-L164 HydrophobicContact CD1-CD2 4.39Å; L138-L164 HydrophobicContact CD2-CD2 4.36Å; L138-L175 HydrophobicContact CD1-CD1 4.06Å; L138-L175 HydrophobicContact CD1-CD2 3.48Å; L138-L175 VanDerWaalsContact CD1-CD2 3.48Å; L138-L175 HydrophobicContact CD1-CG 3.58Å; L138-V179 HydrophobicContact CB-CG2 4.07Å; L138-V179 HydrophobicContact CD1-CG2 3.69Å; L138-V179 HydrophobicContact CD2-CG2 4.02Å; L138-V179 HydrophobicContact CG-CG2 4.14Å; L138-L267 HydrophobicContact CD2-CD2 4.26Å; L138-I288 HydrophobicContact CD2-CD1 3.89Å; L138-I288 HydrophobicContact CG-CD1 3.81Å
139K91.6Very high89.1Confident83 Ų8348.3 Ų48.336%0.36125%0.252SS..Iπ-helixtrans-61.4-43.7173-77168.4-177172.90110.6W125 K135 E136 I143 L144W125-K139 HydrophobicContact CZ2-CG 4.13Å; K135-K139 WeakPolarHBondContact O-CB 3.38Å; K135-K139 WeakPolarHBondContact O-CG 3.28Å; K135-K139 PolarHBondContact O-N 2.86Å; E136-K139 WeakPolarHBondContact O-CB 3.12Å; E136-K139 PolarHBondContact O-N 2.86Å; E136-K139 VanDerWaalsContact O-N 3.12Å; K139-I143 HydrophobicContact CG-CG1 4.42Å; K139-I143 CarbonylContact O-C 3.58Å; K139-I143 WeakPolarHBondContact O-CA 3.49Å; K139-I143 WeakPolarHBondContact O-CB 3.4Å; K139-I143 PolarHBondContact O-N 2.83Å; K139-L144 PolarHBondContact O-N 2.85Å
140E90.2Very high89Confident113 Ų11353.9 Ų53.953%0.52828%0.276SS..Iπ-helixtrans-65.1-46.5175.7-170.8-167.7163.700111.7E136 L138 L144 P145E136-E140 PolarHBondContact O-N 2.75Å; L138-E140 VanDerWaalsContact C-N 3.32Å; E140-L144 HydrophobicContact CG-CD2 4.3Å; E140-L144 WeakPolarHBondContact O-CB 3.41Å; E140-P145 WeakPolarHBondContact O-CD 3.2Å
141A87.3Confident89.1Confident8 Ų856.5 Ų56.57%0.06629%0.287CS..Iπ-helixtrans-76.1-29.6-173.500000113.9A137 L138 P145 I162A137-A141 WeakPolarHBondContact O-CB 3.4Å; A137-A141 PolarHBondContact O-N 2.88Å; L138-A141 PolarHBondContact O-N 3.04Å; A141-P145 WeakPolarHBondContact O-CG 3.39Å; A141-I162 HydrophobicContact CB-CD1 3.53Å
142V88Confident89.1Confident7 Ų757.7 Ų57.74%0.04229%0.291CS..Iπ-helixtrans-117-49.1-171.2-171.40000112.6L138 P145 I146 I162 V179 A183 I222 L265L138-V142 HydrophobicContact CD2-CG2 4.36Å; L138-V142 VanDerWaalsContact O-CB 3.32Å; L138-V142 WeakPolarHBondContact O-CB 3.08Å; L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 3.26Å; V142-P145 WeakPolarHBondContact O-CD 3.41Å; V142-I146 HydrophobicContact CG1-CD1 4.37Å; V142-I146 VanDerWaalsContact O-CD1 3.3Å; V142-I146 WeakPolarHBondContact O-CD1 3.41Å; V142-I146 VanDerWaalsContact O-CG1 3.31Å; V142-I146 WeakPolarHBondContact O-CG1 3.38Å; V142-I162 HydrophobicContact CG2-CD1 3.77Å; V142-V179 HydrophobicContact CB-CG1 4.01Å; V142-V179 HydrophobicContact CG1-CG1 3.72Å; V142-V179 HydrophobicContact CG2-CG1 3.98Å; V142-A183 HydrophobicContact CG1-CB 4.2Å; V142-I222 HydrophobicContact CG1-CD1 4.3Å; V142-L265 HydrophobicContact CB-CD2 4.14Å; V142-L265 HydrophobicContact CG1-CD2 3.73Å; V142-L265 HydrophobicContact CG2-CD2 3.36Å
143I88Confident88.9Confident34 Ų3456.4 Ų56.417%0.17429%0.29CS..Iπ-helixtrans-79.8-40.7-172.2-51.6-58.3000111.1W125 K139 I146 K147 E182 A183W125-I143 HydrophobicContact CZ2-CG1 4.49Å; K139-I143 HydrophobicContact CG-CG1 4.42Å; K139-I143 CarbonylContact O-C 3.58Å; K139-I143 WeakPolarHBondContact O-CA 3.49Å; K139-I143 WeakPolarHBondContact O-CB 3.4Å; K139-I143 PolarHBondContact O-N 2.83Å; I143-I146 PolarHBondContact O-N 3.43Å; I143-K147 WeakPolarHBondContact O-CB 3.43Å; I143-K147 PolarHBondContact O-N 3.05Å; I143-E182 HydrophobicContact CD1-CB 4.16Å; I143-A183 HydrophobicContact CD1-CB 3.87Å
144L89.9Confident88.8Confident61 Ų6158.4 Ų58.432%0.31931%0.311SS..Hα-helixtrans-61.1-44-178-164.574.2000113.2K139 E140 I146 K147 F148 F152K139-L144 PolarHBondContact O-N 2.85Å; E140-L144 HydrophobicContact CG-CD2 4.3Å; E140-L144 WeakPolarHBondContact O-CB 3.41Å; L144-I146 VanDerWaalsContact C-N 3.33Å; L144-I146 PolarHBondContact O-N 3.35Å; L144-K147 PolarHBondContact O-N 2.77Å; L144-F148 HydrophobicContact CD1-CD2 3.67Å; L144-F148 HydrophobicContact CD1-CE2 4.12Å; L144-F148 HydrophobicContact CG-CD2 4.49Å; L144-F148 PolarHBondContact O-N 3.37Å; L144-F152 HydrophobicContact CB-CE2 4.32Å; L144-F152 HydrophobicContact CB-CZ 4.29Å; L144-F152 HydrophobicContact CD2-CE2 4.23Å; L144-F152 HydrophobicContact CD2-CZ 4.03Å; L144-F152 HydrophobicContact CG-CE2 4.02Å; L144-F152 HydrophobicContact CG-CZ 4.19Å
145P86.9Confident88.6Confident19 Ų1968 Ų6812%0.12335%0.351CS..Hα-helixtrans-62.3-37.2174.9-2029.6000114E140 A141 V142 P149 F152 P158E140-P145 WeakPolarHBondContact O-CD 3.2Å; A141-P145 WeakPolarHBondContact O-CG 3.39Å; V142-P145 WeakPolarHBondContact O-CD 3.41Å; P145-P149 WeakPolarHBondContact O-CA 3.46Å; P145-F152 HydrophobicContact CB-CD1 4.35Å; P145-F152 HydrophobicContact CB-CD2 3.98Å; P145-F152 HydrophobicContact CB-CE1 4.32Å; P145-F152 HydrophobicContact CB-CE2 3.96Å; P145-F152 HydrophobicContact CB-CG 4.17Å; P145-F152 HydrophobicContact CB-CZ 4.13Å; P145-F152 HydrophobicContact CG-CD1 4.25Å; P145-F152 HydrophobicContact CG-CD2 4.34Å; P145-F152 HydrophobicContact CG-CE1 3.77Å; P145-F152 HydrophobicContact CG-CE2 3.88Å; P145-F152 HydrophobicContact CG-CG 4.5Å; P145-F152 HydrophobicContact CG-CZ 3.57Å; P145-P158 HydrophobicContact CB-CB 3.83Å; P145-P158 HydrophobicContact CB-CG 4.42Å; P145-P158 HydrophobicContact CG-CB 3.7Å
146I84.7Confident88.4Confident58 Ų5874.7 Ų74.730%0.29738%0.376SS..Hα-helixtrans-70.7-42.7179.5-64.6172.1000110.2V142 I143 L144 A183 N184V142-I146 HydrophobicContact CG1-CD1 4.37Å; V142-I146 VanDerWaalsContact O-CD1 3.3Å; V142-I146 WeakPolarHBondContact O-CD1 3.41Å; V142-I146 VanDerWaalsContact O-CG1 3.31Å; V142-I146 WeakPolarHBondContact O-CG1 3.38Å; I143-I146 PolarHBondContact O-N 3.43Å; L144-I146 VanDerWaalsContact C-N 3.33Å; L144-I146 PolarHBondContact O-N 3.35Å; I146-A183 HydrophobicContact CD1-CB 3.82Å; I146-N184 WeakPolarHBondContact CG2-ND2 3.26Å
147K86.2Confident88.1Confident142 Ų14273.4 Ų73.462%0.61738%0.376SS*.Hα-helixtrans-75.4-38-176.9-170.5172.2-178.2174.70112.9I143 L144I143-K147 WeakPolarHBondContact O-CB 3.43Å; I143-K147 PolarHBondContact O-N 3.05Å; L144-K147 PolarHBondContact O-N 2.77Å
148F89.2Confident88Confident79 Ų7975.9 Ų75.935%0.34639%0.392SS..  trans-130.966.8-175.3-56.6-63.4000111.9L144 H150 L151L144-F148 HydrophobicContact CD1-CD2 3.67Å; L144-F148 HydrophobicContact CD1-CE2 4.12Å; L144-F148 HydrophobicContact CG-CD2 4.49Å; L144-F148 PolarHBondContact O-N 3.37Å; F148-H150 AromaticContact CD1-CE1 3.86Å; F148-H150 PolarHBondContact O-N 3.45Å; F148-H150 VanDerWaalsContact O-N 3.09Å; F148-L151 HydrophobicContact CB-CD1 3.74Å; F148-L151 HydrophobicContact CB-CG 3.99Å; F148-L151 HydrophobicContact CD2-CD1 4.44Å; F148-L151 HydrophobicContact CG-CD1 4.31Å; F148-L151 WeakPolarHBondContact O-CB 3.39Å; F148-L151 PolarHBondContact O-N 2.9Å
149P86.8Confident87.8Confident82 Ų8281.2 Ų81.253%0.53241%0.413SS..G310 helixtrans-60.1-26.7-17623.5-34.5000113.4P145 L151 F152P145-P149 WeakPolarHBondContact O-CA 3.46Å; P149-L151 PolarHBondContact O-N 2.91Å; P149-F152 CarbonylContact O-C 3.59Å; P149-F152 PolarHBondContact O-N 2.79Å
150H88.9Confident87.6Confident123 Ų12381.8 Ų81.857%0.56941%0.413SS*.G310 helixtrans-64-25.4177.667.4-88.8000113.8F148 F152 T153F148-H150 AromaticContact CD1-CE1 3.86Å; F148-H150 PolarHBondContact O-N 3.45Å; F148-H150 VanDerWaalsContact O-N 3.09Å; H150-F152 VanDerWaalsContact C-N 3.26Å; H150-T153 WeakPolarHBondContact O-CG2 3.12Å; H150-T153 PolarHBondContact O-OG1 3.02Å; H150-T153 VanDerWaalsContact O-OG1 3.12Å
151L90.6Very high87.7Confident70 Ų7076.4 Ų76.437%0.36639%0.387SS..G310 helixtrans-71.1-25.9174-64.3179.8000111.8F148 P149 T153 R156F148-L151 HydrophobicContact CB-CD1 3.74Å; F148-L151 HydrophobicContact CB-CG 3.99Å; F148-L151 HydrophobicContact CD2-CD1 4.44Å; F148-L151 HydrophobicContact CG-CD1 4.31Å; F148-L151 WeakPolarHBondContact O-CB 3.39Å; F148-L151 PolarHBondContact O-N 2.9Å; P149-L151 PolarHBondContact O-N 2.91Å; L151-T153 PolarHBondContact O-N 3.18Å; L151-R156 PolarHBondContact O-NE 3.21Å
152F87.3Confident88.1Confident55 Ų5576 Ų7624%0.24138%0.384CS..SBendtrans-99.658-175.9-65.5-93.3000111.2L144 P145 P149 H150 R156 P158L144-F152 HydrophobicContact CB-CE2 4.32Å; L144-F152 HydrophobicContact CB-CZ 4.29Å; L144-F152 HydrophobicContact CD2-CE2 4.23Å; L144-F152 HydrophobicContact CD2-CZ 4.03Å; L144-F152 HydrophobicContact CG-CE2 4.02Å; L144-F152 HydrophobicContact CG-CZ 4.19Å; P145-F152 HydrophobicContact CB-CD1 4.35Å; P145-F152 HydrophobicContact CB-CD2 3.98Å; P145-F152 HydrophobicContact CB-CE1 4.32Å; P145-F152 HydrophobicContact CB-CE2 3.96Å; P145-F152 HydrophobicContact CB-CG 4.17Å; P145-F152 HydrophobicContact CB-CZ 4.13Å; P145-F152 HydrophobicContact CG-CD1 4.25Å; P145-F152 HydrophobicContact CG-CD2 4.34Å; P145-F152 HydrophobicContact CG-CE1 3.77Å; P145-F152 HydrophobicContact CG-CE2 3.88Å; P145-F152 HydrophobicContact CG-CG 4.5Å; P145-F152 HydrophobicContact CG-CZ 3.57Å; P149-F152 CarbonylContact O-C 3.59Å; P149-F152 PolarHBondContact O-N 2.79Å; H150-F152 VanDerWaalsContact C-N 3.26Å; F152-R156 CarbonylContact C-O 3.59Å; F152-R156 WeakPolarHBondContact CA-O 3.47Å; F152-R156 WeakPolarHBondContact CB-O 3.41Å; F152-P158 HydrophobicContact CD1-CB 4.32Å
153T84.9Confident88.4Confident72 Ų7275.7 Ų75.744%0.44238%0.382SS..  trans-117.5152.5179.652.60000111.7H150 L151 K155 R156H150-T153 WeakPolarHBondContact O-CG2 3.12Å; H150-T153 PolarHBondContact O-OG1 3.02Å; H150-T153 VanDerWaalsContact O-OG1 3.12Å; L151-T153 PolarHBondContact O-N 3.18Å; T153-K155 PolarHBondContact O-N 3.11Å; T153-R156 PolarHBondContact N-O 2.73Å; T153-R156 PolarHBondContact O-N 2.95Å
154G87.7Confident88.7Confident76 Ų7674.1 Ų74.178%0.78437%0.374SS*.THydrogen-bonded Turntrans68.9-124-176.900000111.6R156G154-R156 VanDerWaalsContact C-N 3.31Å
155K86.2Confident89Confident209 Ų20971.2 Ų71.291%0.90936%0.359SS*.THydrogen-bonded Turntrans-80.6-8.8178.7-64.8-169.8178.4-177.60114.2T153 T157T153-K155 PolarHBondContact O-N 3.11Å; K155-T157 PolarHBondContact O-N 3.41Å; K155-T157 VanDerWaalsContact O-N 3.14Å
156R88.3Confident89.3Confident151 Ų15170.3 Ų70.357%0.5735%0.353SS*.  trans-84.283.6177.5-68.2172.8-70.2178.70.7108.5L151 F152 T153 G154L151-R156 PolarHBondContact O-NE 3.21Å; F152-R156 CarbonylContact C-O 3.59Å; F152-R156 WeakPolarHBondContact CA-O 3.47Å; F152-R156 WeakPolarHBondContact CB-O 3.41Å; T153-R156 PolarHBondContact N-O 2.73Å; T153-R156 PolarHBondContact O-N 2.95Å; G154-R156 VanDerWaalsContact C-N 3.31Å
157T85.3Confident89.7Confident97 Ų9767.7 Ų67.760%0.59534%0.34SS*.PPolyproline II helixtrans-100.3142.2177.852.50000110.3K155K155-T157 PolarHBondContact O-N 3.41Å; K155-T157 VanDerWaalsContact O-N 3.14Å
158P88.1Confident90Very high55 Ų5563.5 Ų63.536%0.35733%0.327SS..PPolyproline II helixtrans-63.5151.7173.329.1-34.9000110.8P145 F152P145-P158 HydrophobicContact CB-CB 3.83Å; P145-P158 HydrophobicContact CB-CG 4.42Å; P145-P158 HydrophobicContact CG-CB 3.7Å; F152-P158 HydrophobicContact CD1-CB 4.32Å
159W88.4Confident90.1Very high112 Ų11261.1 Ų61.142%0.42433%0.325SS..PPolyproline II helixtrans-63.3135.9174.7-57.9111.6000110.4I162 L265 E285 K286W159-I162 HydrophobicContact CB-CG1 4.42Å; W159-L265 WeakPolarHBondContact O-CD1 3.27Å; W159-E285 HydrophobicContact CD2-CB 4.4Å; W159-E285 HydrophobicContact CE3-CB 3.42Å; W159-E285 VanDerWaalsContact CE3-CB 3.42Å; W159-E285 HydrophobicContact CE3-CG 4.22Å; W159-E285 HydrophobicContact CZ3-CB 3.76Å; W159-E285 HydrophobicContact CZ3-CG 4.49Å; W159-K286 HydrophobicContact CD2-CB 4.47Å; W159-K286 HydrophobicContact CG-CB 4.31Å
160R87.8Confident90.3Very high95 Ų9557.7 Ų57.736%0.35830%0.302SS..SBendtrans-94.5-25.1-179.2-66.5-174.9173.6-148.8-9112.9D262 V266 E285R160-D262 IonicContact CZ-OD1 3.91Å; R160-D262 IonicContact NH2-OD1 2.81Å; R160-D262 PolarHBondContact NH2-OD1 3.07Å; R160-V266 PolarHBondContact O-N 3.01Å; R160-E285 PolarHBondContact N-OE2 3.49Å
161G92.3Very high90.4Very high0 Ų053.3 Ų53.30%029%0.291CS..EExtended strand (participates in β ladder)trans-133.6123.9-179.800000111.6V266 E285 K286G161-V266 WeakPolarHBondContact CA-O 3.46Å; G161-E285 PolarHBondContact O-N 3.4Å; G161-K286 PolarHBondContact O-N 3.49Å
162I94Very high90.6Very high0 Ų050.5 Ų50.50%028%0.275CS..EExtended strand (participates in β ladder)trans-121.1128.6174.5-57.4169.9000108.9L138 A141 V142 W159 L164 L265 V266 L267 G268 F284 K286 I288L138-I162 HydrophobicContact CD2-CD1 4.31Å; L138-I162 HydrophobicContact CD2-CG2 4.27Å; A141-I162 HydrophobicContact CB-CD1 3.53Å; V142-I162 HydrophobicContact CG2-CD1 3.77Å; W159-I162 HydrophobicContact CB-CG1 4.42Å; I162-L164 HydrophobicContact CG2-CD2 4.31Å; I162-L265 HydrophobicContact CD1-CD1 3.87Å; I162-L265 HydrophobicContact CD1-CD2 4.27Å; I162-L265 HydrophobicContact CG1-CD1 4.06Å; I162-V266 PolarHBondContact N-O 2.92Å; I162-L267 HydrophobicContact CB-CD2 3.66Å; I162-L267 HydrophobicContact CD1-CD2 4.3Å; I162-L267 HydrophobicContact CG2-CD2 3.89Å; I162-L267 CarbonylContact O-C 3.47Å; I162-L267 WeakPolarHBondContact O-CA 3.4Å; I162-G268 PolarHBondContact O-N 3.15Å; I162-F284 WeakPolarHBondContact O-CD1 3.38Å; I162-K286 CarbonylContact C-O 3Å; I162-K286 VanDerWaalsContact CA-O 3.31Å; I162-K286 WeakPolarHBondContact CA-O 3.36Å; I162-K286 HydrophobicContact CG1-CB 4.25Å; I162-I288 HydrophobicContact CG2-CD1 3.78Å; I162-I288 HydrophobicContact CG2-CG1 4.2Å
163L94.8Very high90.8Very high0 Ų049.7 Ų49.70%028%0.277CS..EExtended strand (participates in β ladder)trans-106.5120.1175.2-179.369.2000110.3V228 T270 L276 F284 K286 R287 I288L163-V228 HydrophobicContact CD1-CG2 3.73Å; L163-T270 HydrophobicContact CD1-CG2 4Å; L163-T270 HydrophobicContact CD2-CG2 4.41Å; L163-T270 HydrophobicContact CG-CG2 4.42Å; L163-L276 HydrophobicContact CD1-CD1 4.26Å; L163-L276 HydrophobicContact CD2-CD1 3.64Å; L163-F284 HydrophobicContact CB-CB 3.65Å; L163-F284 HydrophobicContact CB-CD1 3.97Å; L163-F284 HydrophobicContact CB-CD2 4.32Å; L163-F284 HydrophobicContact CB-CG 3.73Å; L163-F284 HydrophobicContact CD1-CD2 4.32Å; L163-F284 HydrophobicContact CD1-CE2 4.42Å; L163-F284 HydrophobicContact CD1-CG 4.48Å; L163-K286 PolarHBondContact N-O 3.24Å; L163-R287 HydrophobicContact CB-CG 4.33Å; L163-R287 CarbonylContact O-C 3.17Å; L163-R287 WeakPolarHBondContact O-CA 3.38Å; L163-I288 PolarHBondContact O-N 3.38Å
164L95.4Very high91Very high0 Ų051.4 Ų51.40%028%0.276CS..EExtended strand (participates in β ladder)trans-89.5121.7167.7-53.1-177.2000108.5L138 I162 K172 L175 A176 G268 A269 T270 I288 I290L138-L164 HydrophobicContact CD1-CD2 4.39Å; L138-L164 HydrophobicContact CD2-CD2 4.36Å; I162-L164 HydrophobicContact CG2-CD2 4.31Å; L164-K172 HydrophobicContact CB-CB 4.41Å; L164-K172 HydrophobicContact CB-CD 4.35Å; L164-K172 HydrophobicContact CB-CG 4.26Å; L164-L175 HydrophobicContact CD1-CD2 4.41Å; L164-A176 HydrophobicContact CD1-CB 4.44Å; L164-G268 PolarHBondContact N-O 3.02Å; L164-A269 VanDerWaalsContact O-CA 3.31Å; L164-A269 WeakPolarHBondContact O-CA 3.44Å; L164-T270 PolarHBondContact O-N 3.43Å; L164-I288 HydrophobicContact CD2-CB 3.99Å; L164-I288 HydrophobicContact CD2-CD1 4.26Å; L164-I288 HydrophobicContact CD2-CG2 4.49Å; L164-I290 HydrophobicContact CB-CG1 4.36Å; L164-I290 HydrophobicContact CD2-CD1 4.47Å
165F94.6Very high91.3Very high0 Ų047.8 Ų47.80%024%0.239CC..EExtended strand (participates in β ladder)trans-135152.4178.774.4-87.2000111.8T270 P273 R287 I288 Y289 I290 V425 F428 T429F165-T270 WeakPolarHBondContact CA-O 3.2Å; F165-T270 HydrophobicContact CB-CG2 3.79Å; F165-P273 HydrophobicContact CB-CB 3.99Å; F165-P273 HydrophobicContact CB-CG 4.14Å; F165-P273 HydrophobicContact CD2-CB 4.28Å; F165-P273 HydrophobicContact CD2-CG 3.78Å; F165-P273 HydrophobicContact CG-CB 4.24Å; F165-P273 HydrophobicContact CG-CG 4.2Å; F165-R287 HydrophobicContact CD1-CB 4.31Å; F165-R287 HydrophobicContact CE1-CB 3.98Å; F165-I288 WeakPolarHBondContact CD1-O 3.45Å; F165-I288 PolarHBondContact N-O 3.16Å; F165-Y289 HydrophobicContact CD2-CD2 4.05Å; F165-Y289 AromaticContact CE2-CD2 3.68Å; F165-Y289 HydrophobicContact CE2-CD2 3.68Å; F165-Y289 HydrophobicContact CE2-CG 4.16Å; F165-Y289 HydrophobicContact CZ-CD2 4.23Å; F165-Y289 HydrophobicContact CZ-CG 4.28Å; F165-Y289 CarbonylContact O-C 3.46Å; F165-Y289 WeakPolarHBondContact O-CA 3.38Å; F165-I290 PolarHBondContact O-N 3.35Å; F165-V425 HydrophobicContact CD2-CG1 4.44Å; F165-V425 HydrophobicContact CE2-CG1 4.33Å; F165-F428 HydrophobicContact CD1-CE1 4.47Å; F165-F428 HydrophobicContact CD2-CD1 4.08Å; F165-F428 HydrophobicContact CD2-CE1 4.35Å; F165-F428 HydrophobicContact CE1-CE1 4.33Å; F165-F428 AromaticContact CE2-CD1 3.75Å; F165-F428 HydrophobicContact CE2-CD1 3.75Å; F165-F428 HydrophobicContact CE2-CE1 4.2Å; F165-F428 HydrophobicContact CG-CE1 4.46Å; F165-F428 HydrophobicContact CZ-CD1 4.04Å; F165-F428 HydrophobicContact CZ-CE1 4.18Å; F165-T429 WeakPolarHBondContact CE2-OG1 3.49Å; F165-T429 HydrophobicContact CZ-CG2 4.45Å
166G93.8Very high91.5Very high0 Ų037.9 Ų37.90%020%0.195CC..SBendtrans152.4-179.5177.900000111.7K172 T270 N271G166-K172 PolarHBondContact O-NZ 3.24Å; G166-T270 PolarHBondContact N-O 3.14Å; G166-N271 WeakPolarHBondContact O-CA 3.45Å; G166-N271 PolarHBondContact O-OD1 2.95Å
167P93.5Very high91.6Very high4 Ų433.6 Ų33.63%0.02618%0.181CC..SBendtrans-54.5153.1-176.6-24.934.5000113T170 K172 I290 L292 V417 L422P167-T170 HydrophobicContact CB-CG2 4.06Å; P167-T170 WeakPolarHBondContact O-CG2 3.31Å; P167-T170 PolarHBondContact O-OG1 3.02Å; P167-K172 PolarHBondContact O-NZ 2.79Å; P167-I290 WeakPolarHBondContact CD-O 3.11Å; P167-L292 HydrophobicContact CB-CD2 4.38Å; P167-L292 HydrophobicContact CG-CG 4.38Å; P167-V417 HydrophobicContact CB-CG1 3.88Å; P167-V417 HydrophobicContact CB-CG2 3.87Å; P167-V417 HydrophobicContact CG-CG1 4.31Å; P167-L422 HydrophobicContact CG-CD2 3.61Å
168P92.1Very high91.9Very high54 Ų5429 Ų2935%0.35115%0.153SC..THydrogen-bonded Turntrans-61.3153.517527.9-34.9000111.2T170 N271 V417P168-T170 VanDerWaalsContact C-N 3.27Å; P168-T170 PolarHBondContact O-N 3.38Å; P168-N271 WeakPolarHBondContact CA-OD1 3.36Å; P168-V417 HydrophobicContact CG-CG2 4.29Å
169G90.7Very high92.1Very high29 Ų2926.4 Ų26.430%0.29914%0.136SC..THydrogen-bonded Turntrans73.89.6175.600000116G330 A331G169-G330 WeakPolarHBondContact O-CA 3.4Å; G169-G330 PolarHBondContact O-N 3.24Å; G169-A331 PolarHBondContact O-N 2.66Å
170T92Very high92Very high9 Ų921.1 Ų21.16%0.05512%0.116CC..SBendtrans-87.81.217951.50000114.5P167 P168 P291 L292P167-T170 HydrophobicContact CB-CG2 4.06Å; P167-T170 WeakPolarHBondContact O-CG2 3.31Å; P167-T170 PolarHBondContact O-OG1 3.02Å; P168-T170 VanDerWaalsContact C-N 3.27Å; P168-T170 PolarHBondContact O-N 3.38Å; T170-P291 WeakPolarHBondContact CG2-O 3.22Å; T170-L292 HydrophobicContact CG2-CD2 4.01Å
171G91Very high92.1Very high32 Ų3217.1 Ų17.133%0.3310%0.102SC..SBendtrans89.420.117400000115.7S173 Y174 L175G171-S173 PolarHBondContact O-N 2.76Å; G171-Y174 CarbonylContact O-C 3.56Å; G171-Y174 WeakPolarHBondContact O-CB 3.42Å; G171-Y174 PolarHBondContact O-N 3.08Å; G171-Y174 VanDerWaalsContact O-N 3.1Å; G171-L175 WeakPolarHBondContact O-CB 3.22Å; G171-L175 PolarHBondContact O-N 3.45Å
172K93.9Very high91.8Very high10 Ų1019.9 Ų19.94%0.04312%0.115CC..Hα-helixtrans-49.7-52.6175.5-67.9-177.7-70.1-75.20113.3L164 G166 P167 Y174 L175 A176 A269 T270 N271 I290L164-K172 HydrophobicContact CB-CB 4.41Å; L164-K172 HydrophobicContact CB-CD 4.35Å; L164-K172 HydrophobicContact CB-CG 4.26Å; G166-K172 PolarHBondContact O-NZ 3.24Å; P167-K172 PolarHBondContact O-NZ 2.79Å; K172-Y174 VanDerWaalsContact C-N 3.31Å; K172-Y174 PolarHBondContact O-N 3.28Å; K172-L175 PolarHBondContact O-N 2.67Å; K172-A176 PolarHBondContact O-N 3.02Å; K172-A269 HydrophobicContact CB-CB 4.12Å; K172-A269 HydrophobicContact CD-CB 4.38Å; K172-T270 WeakPolarHBondContact CE-O 3.42Å; K172-N271 WeakPolarHBondContact CE-OD1 3.42Å; K172-N271 PolarHBondContact NZ-OD1 3.38Å; K172-I290 HydrophobicContact CG-CB 4.14Å; K172-I290 HydrophobicContact CG-CG1 3.96Å; K172-I290 HydrophobicContact CG-CG2 4.36Å
173S90.9Very high91.3Very high38 Ų3820 Ų2027%0.26612%0.116SC..Hα-helixtrans-68.3-31.9179.6-31.60000111.8G171 K177 D226G171-S173 PolarHBondContact O-N 2.76Å; S173-K177 WeakPolarHBondContact O-CG 3.45Å; S173-K177 PolarHBondContact O-N 3.23Å; S173-D226 PolarHBondContact OG-OD2 3.29Å
174Y90.8Very high90.4Very high109 Ų10925.7 Ų25.743%0.42715%0.146SC..Hα-helixtrans-70.8-39.8176.2-159.8-107.1000112V123 D127 V128 G171 K172 K177 A178V123-Y174 HydrophobicContact CG1-CD1 4.09Å; V123-Y174 HydrophobicContact CG1-CE1 3.54Å; V123-Y174 HydrophobicContact CG1-CE2 4.05Å; V123-Y174 HydrophobicContact CG2-CE2 3.97Å; D127-Y174 HydrophobicContact CB-CE1 4.27Å; V128-Y174 HydrophobicContact CG2-CD1 3.94Å; V128-Y174 HydrophobicContact CG2-CE1 4.14Å; G171-Y174 CarbonylContact O-C 3.56Å; G171-Y174 WeakPolarHBondContact O-CB 3.42Å; G171-Y174 PolarHBondContact O-N 3.08Å; G171-Y174 VanDerWaalsContact O-N 3.1Å; K172-Y174 VanDerWaalsContact C-N 3.31Å; K172-Y174 PolarHBondContact O-N 3.28Å; Y174-K177 PolarHBondContact O-N 3.17Å; Y174-A178 PolarHBondContact O-N 3.27Å
175L92.8Very high89.4Confident0 Ų030 Ų300%017%0.169CC..Hα-helixtrans-64.3-41.3174.1-174.968.3000111.5W125 V128 A134 K135 L138 L164 G171 K172 K177 A178 V179 I290W125-L175 HydrophobicContact CE3-CD1 4.47Å; W125-L175 HydrophobicContact CZ3-CD1 3.73Å; V128-L175 HydrophobicContact CG1-CD1 4.08Å; A134-L175 HydrophobicContact CB-CD2 4.36Å; K135-L175 HydrophobicContact CG-CD1 4.28Å; L138-L175 HydrophobicContact CD1-CD1 4.06Å; L138-L175 HydrophobicContact CD1-CD2 3.48Å; L138-L175 VanDerWaalsContact CD1-CD2 3.48Å; L138-L175 HydrophobicContact CD1-CG 3.58Å; L164-L175 HydrophobicContact CD1-CD2 4.41Å; G171-L175 WeakPolarHBondContact O-CB 3.22Å; G171-L175 PolarHBondContact O-N 3.45Å; K172-L175 PolarHBondContact O-N 2.67Å; L175-K177 VanDerWaalsContact C-N 3.32Å; L175-K177 PolarHBondContact O-N 3.45Å; L175-A178 WeakPolarHBondContact O-CB 3.38Å; L175-A178 PolarHBondContact O-N 3.18Å; L175-A178 VanDerWaalsContact O-N 3.16Å; L175-V179 WeakPolarHBondContact O-CG2 3.37Å; L175-V179 PolarHBondContact O-N 3.35Å; L175-I290 HydrophobicContact CD2-CD1 3.67Å
176A91.6Very high88.8Confident0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-61.4-39.9175.100000112.4L164 K172 V179 A180 F188 F224 L267L164-A176 HydrophobicContact CD1-CB 4.44Å; K172-A176 PolarHBondContact O-N 3.02Å; A176-V179 PolarHBondContact O-N 3.06Å; A176-A180 PolarHBondContact O-N 3.37Å; A176-A180 VanDerWaalsContact O-N 3.16Å; A176-F188 HydrophobicContact CB-CE2 4.37Å; A176-F188 HydrophobicContact CB-CZ 4.23Å; A176-F224 HydrophobicContact CB-CD2 3.4Å; A176-F224 VanDerWaalsContact CB-CD2 3.4Å; A176-F224 HydrophobicContact CB-CE2 3.44Å; A176-F224 VanDerWaalsContact CB-CE2 3.44Å; A176-F224 HydrophobicContact CB-CG 4.03Å; A176-F224 HydrophobicContact CB-CZ 4.09Å; A176-L267 HydrophobicContact CB-CD1 4.26Å
177K90.4Very high88.5Confident62 Ų6231.7 Ų31.727%0.2718%0.18SC..Hα-helixtrans-63.5-41172.9-70.9-178.7-173-129.90111.8E119 P121 V123 S173 Y174 L175 A180 T181 F188E119-K177 VanDerWaalsContact OE1-CE 3.27Å; E119-K177 WeakPolarHBondContact OE1-CE 3.38Å; E119-K177 IonicContact OE1-NZ 2.86Å; E119-K177 PolarHBondContact OE1-NZ 3.48Å; E119-K177 IonicContact OE2-NZ 3.92Å; P121-K177 HydrophobicContact CB-CB 3.86Å; P121-K177 HydrophobicContact CB-CG 4.19Å; P121-K177 HydrophobicContact CG-CB 4.19Å; P121-K177 WeakPolarHBondContact CG-O 3.27Å; V123-K177 HydrophobicContact CB-CB 4.35Å; V123-K177 HydrophobicContact CG2-CB 4.14Å; S173-K177 WeakPolarHBondContact O-CG 3.45Å; S173-K177 PolarHBondContact O-N 3.23Å; Y174-K177 PolarHBondContact O-N 3.17Å; L175-K177 VanDerWaalsContact C-N 3.32Å; L175-K177 PolarHBondContact O-N 3.45Å; K177-A180 PolarHBondContact O-N 3.16Å; K177-T181 PolarHBondContact O-N 3.29Å; K177-T181 VanDerWaalsContact O-N 3.08Å; K177-T181 PolarHBondContact O-OG1 3.28Å; K177-F188 HydrophobicContact CG-CE1 4.07Å; K177-F188 HydrophobicContact CG-CZ 4.24Å
178A91.3Very high88.3Confident0 Ų031.5 Ų31.50%018%0.179CC..Hα-helixtrans-61.4-43.8176.300000112.5V123 W125 V128 Y174 L175 A180 T181 E182V123-A178 HydrophobicContact CB-CB 4.46Å; V123-A178 HydrophobicContact CG1-CB 3.95Å; V123-A178 WeakPolarHBondContact O-CA 3.33Å; W125-A178 HydrophobicContact CE3-CB 4.15Å; W125-A178 HydrophobicContact CZ3-CB 4.22Å; V128-A178 HydrophobicContact CG2-CB 3.76Å; Y174-A178 PolarHBondContact O-N 3.27Å; L175-A178 WeakPolarHBondContact O-CB 3.38Å; L175-A178 PolarHBondContact O-N 3.18Å; L175-A178 VanDerWaalsContact O-N 3.16Å; A178-A180 VanDerWaalsContact C-N 3.28Å; A178-A180 PolarHBondContact O-N 2.93Å; A178-T181 PolarHBondContact O-N 3.34Å; A178-E182 WeakPolarHBondContact O-CB 3.46Å; A178-E182 WeakPolarHBondContact O-CG 3.47Å; A178-E182 PolarHBondContact O-N 2.98Å; A178-E182 VanDerWaalsContact O-N 3.08Å
179V91Very high88.3Confident1 Ų129 Ų291%0.00616%0.162CC..Hα-helixtrans-56-44.8174.3174.50000110.9W125 L138 V142 L175 A176 E182 A183 I222 L267W125-V179 HydrophobicContact CH2-CB 4.33Å; W125-V179 HydrophobicContact CH2-CG2 3.52Å; W125-V179 HydrophobicContact CZ2-CG2 4.33Å; W125-V179 HydrophobicContact CZ3-CG2 4.25Å; L138-V179 HydrophobicContact CB-CG2 4.07Å; L138-V179 HydrophobicContact CD1-CG2 3.69Å; L138-V179 HydrophobicContact CD2-CG2 4.02Å; L138-V179 HydrophobicContact CG-CG2 4.14Å; V142-V179 HydrophobicContact CB-CG1 4.01Å; V142-V179 HydrophobicContact CG1-CG1 3.72Å; V142-V179 HydrophobicContact CG2-CG1 3.98Å; L175-V179 WeakPolarHBondContact O-CG2 3.37Å; L175-V179 PolarHBondContact O-N 3.35Å; A176-V179 PolarHBondContact O-N 3.06Å; V179-E182 PolarHBondContact O-N 3.4Å; V179-A183 WeakPolarHBondContact O-CB 3.33Å; V179-A183 PolarHBondContact O-N 3.42Å; V179-I222 HydrophobicContact CG1-CD1 4.03Å; V179-L267 HydrophobicContact CG1-CD1 4.42Å
180A87.9Confident88.3Confident0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-68.7-37.2-177.100000113.6P121 A176 K177 A178 E182 F188 I222P121-A180 HydrophobicContact CG-CB 3.76Å; A176-A180 PolarHBondContact O-N 3.37Å; A176-A180 VanDerWaalsContact O-N 3.16Å; K177-A180 PolarHBondContact O-N 3.16Å; A178-A180 VanDerWaalsContact C-N 3.28Å; A178-A180 PolarHBondContact O-N 2.93Å; A180-E182 VanDerWaalsContact C-N 3.33Å; A180-F188 HydrophobicContact CB-CB 3.88Å; A180-F188 HydrophobicContact CB-CD2 3.33Å; A180-F188 HydrophobicContact CB-CE2 3.99Å; A180-F188 HydrophobicContact CB-CG 3.82Å; A180-I222 HydrophobicContact CB-CD1 4.19Å
181T88.3Confident88.2Confident12 Ų1228.4 Ų28.47%0.07415%0.154CC..Hα-helixtrans-62.4-42.9172.4-57.40000111.2P121 V123 K177 A178 N185P121-T181 PolarHBondContact O-OG1 2.66Å; V123-T181 PolarHBondContact N-OG1 2.68Å; V123-T181 VanDerWaalsContact N-OG1 3.13Å; V123-T181 WeakPolarHBondContact O-CB 3.46Å; V123-T181 WeakPolarHBondContact O-CG2 3.44Å; V123-T181 PolarHBondContact O-OG1 3.15Å; V123-T181 VanDerWaalsContact O-OG1 3.05Å; K177-T181 PolarHBondContact O-N 3.29Å; K177-T181 VanDerWaalsContact O-N 3.08Å; K177-T181 PolarHBondContact O-OG1 3.28Å; A178-T181 PolarHBondContact O-N 3.34Å; T181-N185 PolarHBondContact O-N 3.46Å
182E86.8Confident87.9Confident58 Ų5828.3 Ų28.327%0.27115%0.148SC..Hα-helixtrans-82.3-21.1-172.9-64.2-82.8171.300112.7W125 I143 A178 V179 A180 N184W125-E182 HydrophobicContact CD2-CG 4.16Å; W125-E182 HydrophobicContact CG-CG 4Å; W125-E182 HydrophobicContact CZ2-CB 4.15Å; W125-E182 HydrophobicContact CZ2-CG 4.38Å; W125-E182 PolarHBondContact N-OE1 3.43Å; W125-E182 PolarHBondContact NE1-OE2 3.04Å; I143-E182 HydrophobicContact CD1-CB 4.16Å; A178-E182 WeakPolarHBondContact O-CB 3.46Å; A178-E182 WeakPolarHBondContact O-CG 3.47Å; A178-E182 PolarHBondContact O-N 2.98Å; A178-E182 VanDerWaalsContact O-N 3.08Å; V179-E182 PolarHBondContact O-N 3.4Å; A180-E182 VanDerWaalsContact C-N 3.33Å; E182-N184 PolarHBondContact O-N 3.43Å
183A83.1Confident87.3Confident1 Ų127.8 Ų27.81%0.00815%0.146CC..THydrogen-bonded Turntrans-78.157.5173.200000112V142 I143 I146 V179 N185 S186 I222V142-A183 HydrophobicContact CG1-CB 4.2Å; I143-A183 HydrophobicContact CD1-CB 3.87Å; I146-A183 HydrophobicContact CD1-CB 3.82Å; V179-A183 WeakPolarHBondContact O-CB 3.33Å; V179-A183 PolarHBondContact O-N 3.42Å; A183-N185 PolarHBondContact O-N 2.91Å; A183-N185 VanDerWaalsContact O-N 3.17Å; A183-S186 VanDerWaalsContact O-CB 3.23Å; A183-S186 WeakPolarHBondContact O-CB 3.2Å; A183-S186 PolarHBondContact O-N 2.8Å; A183-S186 PolarHBondContact O-OG 2.97Å; A183-S186 VanDerWaalsContact O-OG 3.07Å; A183-I222 HydrophobicContact CB-CD1 4.1Å
184N76.1Confident86.6Confident120 Ų12029.2 Ų29.264%0.64216%0.156SC*.THydrogen-bonded Turntrans52.935.8178.2-67.8-12.7000114.5I146 E182 S186I146-N184 WeakPolarHBondContact CG2-ND2 3.26Å; E182-N184 PolarHBondContact O-N 3.43Å; N184-S186 PolarHBondContact O-N 2.73Å
185N75.8Confident86Confident91 Ų9127.9 Ų27.949%0.48716%0.156SC..THydrogen-bonded Turntrans53.437.8-173.8-66.890.2000113.2T181 A183T181-N185 PolarHBondContact O-N 3.46Å; A183-N185 PolarHBondContact O-N 2.91Å; A183-N185 VanDerWaalsContact O-N 3.17Å
186S80.4Confident85.1Confident6 Ų628.1 Ų28.14%0.04216%0.157CC..PPolyproline II helixtrans-49.9147.7171.7-93.80000111.8A183 N184 F188 P220A183-S186 VanDerWaalsContact O-CB 3.23Å; A183-S186 WeakPolarHBondContact O-CB 3.2Å; A183-S186 PolarHBondContact O-N 2.8Å; A183-S186 PolarHBondContact O-OG 2.97Å; A183-S186 VanDerWaalsContact O-OG 3.07Å; N184-S186 PolarHBondContact O-N 2.73Å; S186-F188 PolarHBondContact O-N 2.85Å; S186-P220 WeakPolarHBondContact CB-O 3.5Å; S186-P220 WeakPolarHBondContact OG-CB 3.3Å; S186-P220 WeakPolarHBondContact OG-CG 3.36Å; S186-P220 PolarHBondContact OG-O 3.02Å
187T87.1Confident84Confident30 Ų3031.6 Ų31.618%0.18418%0.175CC..EExtended strand (participates in β ladder)trans-65.2121.9176.7-480000109.3F189 H218 P220 S221 I222T187-F189 HydrophobicContact CG2-CD2 4.2Å; T187-F189 HydrophobicContact CG2-CE1 4.45Å; T187-F189 HydrophobicContact CG2-CE2 3.54Å; T187-F189 HydrophobicContact CG2-CZ 3.7Å; T187-H218 HydrophobicContact CG2-CB 4.06Å; T187-H218 PolarHBondContact OG1-O 2.76Å; T187-P220 PolarHBondContact N-O 3.21Å; T187-S221 WeakPolarHBondContact O-CA 3.39Å; T187-I222 PolarHBondContact O-N 3.49Å
188F91.1Very high82.6Confident0 Ų030.4 Ų30.40%017%0.174CC..EExtended strand (participates in β ladder)trans-102.4116.8178.8-170.8-108.6000109.9M118 E119 P121 A176 K177 A180 S186 I222 F224M118-F188 WeakPolarHBondContact CA-O 3.05Å; E119-F188 HydrophobicContact CG-CD1 3.79Å; E119-F188 PolarHBondContact N-O 3.41Å; E119-F188 WeakPolarHBondContact O-CB 3.17Å; E119-F188 PolarHBondContact O-N 3.11Å; P121-F188 HydrophobicContact CG-CB 4.4Å; P121-F188 HydrophobicContact CG-CG 4.47Å; A176-F188 HydrophobicContact CB-CE2 4.37Å; A176-F188 HydrophobicContact CB-CZ 4.23Å; K177-F188 HydrophobicContact CG-CE1 4.07Å; K177-F188 HydrophobicContact CG-CZ 4.24Å; A180-F188 HydrophobicContact CB-CB 3.88Å; A180-F188 HydrophobicContact CB-CD2 3.33Å; A180-F188 HydrophobicContact CB-CE2 3.99Å; A180-F188 HydrophobicContact CB-CG 3.82Å; S186-F188 PolarHBondContact O-N 2.85Å; F188-I222 HydrophobicContact CD2-CB 4.15Å; F188-I222 HydrophobicContact CD2-CG2 4.01Å; F188-I222 HydrophobicContact CE2-CG2 4.13Å; F188-F224 HydrophobicContact CD2-CB 4.4Å; F188-F224 HydrophobicContact CE1-CB 4.09Å; F188-F224 HydrophobicContact CE1-CD1 4.42Å; F188-F224 HydrophobicContact CE2-CB 3.44Å; F188-F224 VanDerWaalsContact CE2-CB 3.44Å; F188-F224 HydrophobicContact CE2-CG 4.13Å; F188-F224 HydrophobicContact CZ-CB 3.25Å; F188-F224 AromaticContact CZ-CD1 3.86Å; F188-F224 HydrophobicContact CZ-CD1 3.86Å; F188-F224 HydrophobicContact CZ-CD2 4.46Å; F188-F224 AromaticContact CZ-CG 3.61Å; F188-F224 HydrophobicContact CZ-CG 3.61Å
189F92Very high80.9Confident0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-99.8106.3172.9-63.3-89000108I116 M118 T187 L211 L214 A215 H218 I222 I223 F224I116-F189 HydrophobicContact CG2-CB 4.09Å; I116-F189 HydrophobicContact CG2-CD1 3.74Å; I116-F189 HydrophobicContact CG2-CG 4.43Å; M118-F189 HydrophobicContact CG-CD1 3.61Å; M118-F189 HydrophobicContact CG-CE1 3.53Å; M118-F189 HydrophobicContact SD-CD1 4.21Å; M118-F189 HydrophobicContact SD-CE1 3.5Å; M118-F189 WeakPolarHBondContact SD-CE1 3.33Å; M118-F189 HydrophobicContact SD-CZ 4.25Å; T187-F189 HydrophobicContact CG2-CD2 4.2Å; T187-F189 HydrophobicContact CG2-CE1 4.45Å; T187-F189 HydrophobicContact CG2-CE2 3.54Å; T187-F189 HydrophobicContact CG2-CZ 3.7Å; F189-L211 HydrophobicContact CB-CD1 4.03Å; F189-L211 HydrophobicContact CD1-CD1 4.32Å; F189-L211 HydrophobicContact CG-CD1 4.37Å; F189-L214 HydrophobicContact CE1-CB 4.05Å; F189-L214 HydrophobicContact CZ-CB 4.35Å; F189-A215 HydrophobicContact CD2-CB 4.21Å; F189-A215 HydrophobicContact CE2-CB 4Å; F189-H218 HydrophobicContact CE2-CB 4.17Å; F189-H218 HydrophobicContact CZ-CB 3.9Å; F189-I222 PolarHBondContact N-O 3.49Å; F189-I223 HydrophobicContact CB-CG1 4.48Å; F189-F224 PolarHBondContact O-N 2.76Å
190S90.7Very high79.1Confident26 Ų2649.3 Ų49.318%0.18225%0.251CS..EExtended strand (participates in β ladder)trans-97.9125.6174.8-170.70000109.7V117V117-S190 PolarHBondContact N-O 2.93Å; V117-S190 PolarHBondContact O-N 3.26Å
191V89.4Confident77.6Confident1 Ų156.5 Ų56.51%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-136.6134.6176.766.60000110.2D195 L196 L211 F224 I225 D226V191-D195 HydrophobicContact CG2-CB 4.35Å; V191-L196 HydrophobicContact CG1-CD1 4.27Å; V191-L196 HydrophobicContact CG2-CD1 4.12Å; V191-L196 HydrophobicContact CG2-CD2 3.77Å; V191-L196 HydrophobicContact CG2-CG 3.66Å; V191-L211 HydrophobicContact CG1-CD2 4.03Å; V191-F224 PolarHBondContact N-O 3.3Å; V191-I225 HydrophobicContact CG1-CB 4.4Å; V191-I225 HydrophobicContact CG1-CG1 3.83Å; V191-I225 HydrophobicContact CG1-CG2 4.42Å; V191-I225 WeakPolarHBondContact O-CA 3.48Å; V191-D226 PolarHBondContact O-N 3.08Å; V191-D226 VanDerWaalsContact O-N 3.11Å
192S85.4Confident76.5Confident29 Ų2957.6 Ų57.620%0.20330%0.302CS..EExtended strand (participates in β ladder)trans-81.8141.8166.5-1780000109.2S194 D195 L196S192-S194 PolarHBondContact O-N 2.62Å; S192-S194 VanDerWaalsContact O-N 3.13Å; S192-S194 PolarHBondContact OG-N 2.75Å; S192-D195 WeakPolarHBondContact CB-OD2 3.41Å; S192-D195 PolarHBondContact N-OD2 3.49Å; S192-D195 WeakPolarHBondContact O-CB 3.37Å; S192-D195 PolarHBondContact O-N 3.21Å; S192-L196 PolarHBondContact O-N 2.87Å
193S80Confident75.9Confident0 Ų057.7 Ų57.70%030%0.302CS..Hα-helixtrans-56.3-26.9171.3-68.20000113M197 I225 D226 E227 V228 S230S193-M197 WeakPolarHBondContact O-CG 3.29Å; S193-I225 WeakPolarHBondContact OG-CG2 3.47Å; S193-D226 PolarHBondContact N-O 2.94Å; S193-D226 PolarHBondContact OG-O 2.95Å; S193-E227 WeakPolarHBondContact CB-O 3.33Å; S193-E227 PolarHBondContact OG-O 3.25Å; S193-E227 VanDerWaalsContact OG-O 3.08Å; S193-V228 WeakPolarHBondContact OG-CA 3.46Å; S193-S230 WeakPolarHBondContact CB-OG 2.86Å
194S77.4Confident75.7Confident67 Ų6757.8 Ų57.847%0.46930%0.303SS..Hα-helixtrans-67.1-37.5173-54.70000112.8S192 L196 M197S192-S194 PolarHBondContact O-N 2.62Å; S192-S194 VanDerWaalsContact O-N 3.13Å; S192-S194 PolarHBondContact OG-N 2.75Å; S194-L196 VanDerWaalsContact C-N 3.26Å; S194-L196 PolarHBondContact O-N 3.02Å; S194-M197 PolarHBondContact O-N 3.39Å; S194-M197 VanDerWaalsContact O-N 3.17Å
195D77.3Confident76Confident82 Ų8254.8 Ų54.844%0.43929%0.285SS..Hα-helixtrans-70.1-28.2-178.9-58.8-36.4000111.5A115 V191 S192 M197A115-D195 HydrophobicContact CB-CB 4.39Å; V191-D195 HydrophobicContact CG2-CB 4.35Å; S192-D195 WeakPolarHBondContact CB-OD2 3.41Å; S192-D195 PolarHBondContact N-OD2 3.49Å; S192-D195 WeakPolarHBondContact O-CB 3.37Å; S192-D195 PolarHBondContact O-N 3.21Å; D195-M197 VanDerWaalsContact C-N 3.31Å
196L73.4Confident76.4Confident4 Ų455.5 Ų55.52%0.02128%0.284CS..Hα-helixtrans-74.4-22.2174.8-65.7174.8000112.6V191 S192 S194 S198 S204 V208 L231V191-L196 HydrophobicContact CG1-CD1 4.27Å; V191-L196 HydrophobicContact CG2-CD1 4.12Å; V191-L196 HydrophobicContact CG2-CD2 3.77Å; V191-L196 HydrophobicContact CG2-CG 3.66Å; S192-L196 PolarHBondContact O-N 2.87Å; S194-L196 VanDerWaalsContact C-N 3.26Å; S194-L196 PolarHBondContact O-N 3.02Å; L196-S198 PolarHBondContact O-N 3.42Å; L196-S204 WeakPolarHBondContact O-CB 3.1Å; L196-S204 PolarHBondContact O-OG 3.33Å; L196-V208 HydrophobicContact CD1-CG2 4.5Å; L196-V208 HydrophobicContact CD2-CG2 4.2Å; L196-L231 HydrophobicContact CB-CD1 3.89Å; L196-L231 HydrophobicContact CD1-CD1 3.7Å; L196-L231 HydrophobicContact CG-CD1 4.45Å
197M68.7Low76.5Confident74 Ų7455.9 Ų55.937%0.36529%0.285SS..  trans-88.280.5178.3-66.9-117.7-170.300110.1S193 S194 D195 S230 L231 A243S193-M197 WeakPolarHBondContact O-CG 3.29Å; S194-M197 PolarHBondContact O-N 3.39Å; S194-M197 VanDerWaalsContact O-N 3.17Å; D195-M197 VanDerWaalsContact C-N 3.31Å; M197-S230 WeakPolarHBondContact CE-O 3.5Å; M197-L231 HydrophobicContact CE-CB 4.32Å; M197-L231 HydrophobicContact CE-CG 4.44Å; M197-A243 HydrophobicContact CE-CB 4.25Å; M197-A243 HydrophobicContact SD-CB 4.46Å
198S62.3Low76.6Confident36 Ų3654.4 Ų54.425%0.25228%0.277SS..  trans-76.4152.2175.772.20000111.9L196 W200 S204L196-S198 PolarHBondContact O-N 3.42Å; S198-W200 PolarHBondContact O-N 2.71Å; S198-W200 PolarHBondContact OG-O 3.11Å; S198-S204 PolarHBondContact N-OG 2.84Å; S198-S204 PolarHBondContact OG-OG 2.95Å
199K55.5Low76.4Confident210 Ų21059.3 Ų59.391%0.91330%0.298SS*.SBendtrans-69-9.6176.8-69.5-176.8179178.60113.7
200W51.5Low76.2Confident189 Ų18961 Ų6172%0.71631%0.307SS*.SBendtrans-107.5116.1-174-67.898.7000110.8S198 G202 E203S198-W200 PolarHBondContact O-N 2.71Å; S198-W200 PolarHBondContact OG-O 3.11Å; W200-G202 PolarHBondContact O-N 2.98Å; W200-E203 HydrophobicContact CB-CG 4.2Å; W200-E203 PolarHBondContact O-N 2.86Å
201L57.1Low76.1Confident151 Ų15159.8 Ų59.879%0.79130%0.298SS*.THydrogen-bonded Turntrans-53.9122.2179.9-74.3152.4000111.2A242L201-A242 HydrophobicContact CD2-CB 3.93Å
202G66Low76.2Confident34 Ų3459.8 Ų59.835%0.35130%0.298SS..THydrogen-bonded Turntrans92.6-17.1175.400000116W200W200-G202 PolarHBondContact O-N 2.98Å
203E74.2Confident76.4Confident60 Ų6060.5 Ų60.528%0.2830%0.3SS..Hα-helixtrans-71.2-36.7173.2-71.1-171.8163.700111.2W200 E205 K206 L207W200-E203 HydrophobicContact CB-CG 4.2Å; W200-E203 PolarHBondContact O-N 2.86Å; E203-E205 PolarHBondContact O-N 3.36Å; E203-K206 PolarHBondContact O-N 2.87Å; E203-L207 WeakPolarHBondContact O-CG 3.34Å; E203-L207 PolarHBondContact O-N 3.2Å
204S77.9Confident76.8Confident4 Ų461.6 Ų61.63%0.02831%0.306CS..Hα-helixtrans-61.6-38.3-177.6-46.50000114L196 S198 L207 V208L196-S204 WeakPolarHBondContact O-CB 3.1Å; L196-S204 PolarHBondContact O-OG 3.33Å; S198-S204 PolarHBondContact N-OG 2.84Å; S198-S204 PolarHBondContact OG-OG 2.95Å; S204-L207 WeakPolarHBondContact O-CB 3.44Å; S204-L207 PolarHBondContact O-N 3.41Å; S204-V208 PolarHBondContact O-N 3.47Å; S204-V208 VanDerWaalsContact O-N 3.13Å
205E83.2Confident77.3Confident57 Ų5758.4 Ų58.427%0.26628%0.283SS..Hα-helixtrans-64.8-44.1176.3-67.9167.7-149.800111.1E203 L207 V208 K209 R245 E249E203-E205 PolarHBondContact O-N 3.36Å; E205-L207 VanDerWaalsContact C-N 3.27Å; E205-L207 PolarHBondContact O-N 3.22Å; E205-V208 PolarHBondContact O-N 2.89Å; E205-K209 PolarHBondContact O-N 3.46Å; E205-R245 HydrophobicContact CG-CB 4.29Å; E205-R245 WeakPolarHBondContact OE1-CB 3.42Å; E205-R245 WeakPolarHBondContact OE1-CD 3.39Å; E205-E249 HydrophobicContact CB-CG 4.48Å
206K83.5Confident77.9Confident106 Ų10656.2 Ų56.246%0.46127%0.269SS..Hα-helixtrans-63.1-35.7175.9-65-178.8-179.8179.50111.3L108 E203 K209 N210L108-K206 HydrophobicContact CD1-CB 4.48Å; L108-K206 HydrophobicContact CD1-CD 4.15Å; L108-K206 HydrophobicContact CD2-CB 3.55Å; E203-K206 PolarHBondContact O-N 2.87Å; K206-K209 PolarHBondContact O-N 3.25Å; K206-N210 VanDerWaalsContact O-CB 3.28Å; K206-N210 WeakPolarHBondContact O-CB 3.21Å; K206-N210 PolarHBondContact O-N 3.39Å; K206-N210 PolarHBondContact O-OD1 3.31Å
207L83.6Confident78.6Confident13 Ų1362.4 Ų62.47%0.06830%0.298CS..Hα-helixtrans-62.6-46.8175.7-69.2174.4000111.6L108 L112 E203 S204 E205 N210 L211L108-L207 HydrophobicContact CD2-CD2 4.08Å; L112-L207 HydrophobicContact CD2-CB 4.23Å; L112-L207 HydrophobicContact CD2-CD2 3.5Å; L112-L207 VanDerWaalsContact CD2-CD2 3.5Å; L112-L207 HydrophobicContact CD2-CG 4.48Å; L112-L207 HydrophobicContact CG-CD2 3.63Å; E203-L207 WeakPolarHBondContact O-CG 3.34Å; E203-L207 PolarHBondContact O-N 3.2Å; S204-L207 WeakPolarHBondContact O-CB 3.44Å; S204-L207 PolarHBondContact O-N 3.41Å; E205-L207 VanDerWaalsContact C-N 3.27Å; E205-L207 PolarHBondContact O-N 3.22Å; L207-N210 PolarHBondContact O-N 3.2Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.38Å
208V87.7Confident79.5Confident0 Ų062.8 Ų62.80%030%0.298CS..Hα-helixtrans-61.1-47.2176.7174.40000110.9L196 S204 E205 N210 L211 F212 I246 E249 F250 Q253L196-V208 HydrophobicContact CD1-CG2 4.5Å; L196-V208 HydrophobicContact CD2-CG2 4.2Å; S204-V208 PolarHBondContact O-N 3.47Å; S204-V208 VanDerWaalsContact O-N 3.13Å; E205-V208 PolarHBondContact O-N 2.89Å; V208-N210 VanDerWaalsContact C-N 3.34Å; V208-N210 PolarHBondContact O-N 3.46Å; V208-L211 WeakPolarHBondContact O-CB 3.41Å; V208-L211 PolarHBondContact O-N 2.79Å; V208-F212 HydrophobicContact CG1-CD2 4.33Å; V208-F212 HydrophobicContact CG1-CE2 4.31Å; V208-F212 WeakPolarHBondContact O-CD2 3.33Å; V208-F212 PolarHBondContact O-N 3.1Å; V208-I246 HydrophobicContact CG2-CG2 4.1Å; V208-E249 HydrophobicContact CB-CG 4.3Å; V208-E249 HydrophobicContact CG1-CG 4.2Å; V208-F250 HydrophobicContact CG1-CB 4.14Å; V208-F250 HydrophobicContact CG1-CD2 4.07Å; V208-Q253 HydrophobicContact CG1-CG 4.28Å
209K87.4Confident80.7Confident102 Ų10264.8 Ų64.844%0.44330%0.302SS..Hα-helixtrans-58.1-48.1177.6-177.3172.1-179.8176.80111.7E205 K206 L211 F212 D213E205-K209 PolarHBondContact O-N 3.46Å; K206-K209 PolarHBondContact O-N 3.25Å; K209-L211 PolarHBondContact O-N 2.79Å; K209-F212 PolarHBondContact O-N 2.74Å; K209-D213 PolarHBondContact O-N 2.87Å
210N86.9Confident82.1Confident35 Ų3558 Ų5819%0.18728%0.28CS..Hα-helixtrans-69-32.4-178.5-71.1-4.5000113.1L108 L112 K206 L207 V208 F212 D213 L214L108-N210 WeakPolarHBondContact CD2-ND2 3.3Å; L112-N210 HydrophobicContact CD1-CB 3.23Å; L112-N210 WeakPolarHBondContact CD1-ND2 3.4Å; L112-N210 HydrophobicContact CD2-CB 4.07Å; L112-N210 HydrophobicContact CG-CB 4.31Å; K206-N210 VanDerWaalsContact O-CB 3.28Å; K206-N210 WeakPolarHBondContact O-CB 3.21Å; K206-N210 PolarHBondContact O-N 3.39Å; K206-N210 PolarHBondContact O-OD1 3.31Å; L207-N210 PolarHBondContact O-N 3.2Å; V208-N210 VanDerWaalsContact C-N 3.34Å; V208-N210 PolarHBondContact O-N 3.46Å; N210-F212 VanDerWaalsContact C-N 3.33Å; N210-F212 PolarHBondContact O-N 3.37Å; N210-D213 PolarHBondContact O-N 2.67Å; N210-L214 WeakPolarHBondContact O-CB 3.46Å; N210-L214 WeakPolarHBondContact O-CG 3.42Å; N210-L214 PolarHBondContact O-N 3.37Å
211L89.8Confident83.9Confident1 Ų149.1 Ų49.11%0.00525%0.247CC..Hα-helixtrans-56.4-48.6171.3168.464.7000110.7I116 F189 V191 L207 V208 K209 L214 A215 I223I116-L211 HydrophobicContact CD1-CB 3.87Å; I116-L211 HydrophobicContact CD1-CD1 3.61Å; I116-L211 HydrophobicContact CD1-CG 4.28Å; I116-L211 HydrophobicContact CG1-CD1 4.1Å; I116-L211 HydrophobicContact CG2-CD1 3.98Å; F189-L211 HydrophobicContact CB-CD1 4.03Å; F189-L211 HydrophobicContact CD1-CD1 4.32Å; F189-L211 HydrophobicContact CG-CD1 4.37Å; V191-L211 HydrophobicContact CG1-CD2 4.03Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.38Å; V208-L211 WeakPolarHBondContact O-CB 3.41Å; V208-L211 PolarHBondContact O-N 2.79Å; K209-L211 PolarHBondContact O-N 2.79Å; L211-L214 PolarHBondContact O-N 3.24Å; L211-A215 WeakPolarHBondContact O-CB 3.37Å; L211-A215 PolarHBondContact O-N 2.77Å; L211-I223 HydrophobicContact CD1-CG2 4.41Å; L211-I223 HydrophobicContact CD2-CG2 3.98Å; L211-I223 HydrophobicContact CG-CD1 4.46Å; L211-I223 HydrophobicContact CG-CG2 4.39Å
212F90.8Very high85.5Confident1 Ų142.1 Ų42.10%0.00421%0.21CC..Hα-helixtrans-68.4-35.5177.6-82.5-98.4000112.3V208 K209 N210 A215 R216 I223 F250 Q253 M254 V266V208-F212 HydrophobicContact CG1-CD2 4.33Å; V208-F212 HydrophobicContact CG1-CE2 4.31Å; V208-F212 WeakPolarHBondContact O-CD2 3.33Å; V208-F212 PolarHBondContact O-N 3.1Å; K209-F212 PolarHBondContact O-N 2.74Å; N210-F212 VanDerWaalsContact C-N 3.33Å; N210-F212 PolarHBondContact O-N 3.37Å; F212-A215 PolarHBondContact O-N 2.82Å; F212-R216 VanDerWaalsContact O-CG 3.24Å; F212-R216 WeakPolarHBondContact O-CG 3.35Å; F212-R216 PolarHBondContact O-N 2.71Å; F212-I223 HydrophobicContact CD1-CD1 3.88Å; F212-I223 HydrophobicContact CD2-CD1 4.31Å; F212-I223 HydrophobicContact CE1-CD1 3.88Å; F212-I223 HydrophobicContact CE2-CD1 4.31Å; F212-I223 HydrophobicContact CG-CD1 4.12Å; F212-I223 HydrophobicContact CZ-CD1 4.1Å; F212-F250 AromaticContact CE2-CD2 3.83Å; F212-F250 HydrophobicContact CE2-CD2 3.83Å; F212-F250 AromaticContact CE2-CE2 3.73Å; F212-F250 HydrophobicContact CE2-CE2 3.73Å; F212-F250 HydrophobicContact CZ-CD2 4.21Å; F212-F250 AromaticContact CZ-CE2 3.79Å; F212-F250 HydrophobicContact CZ-CE2 3.79Å; F212-Q253 HydrophobicContact CB-CB 4.36Å; F212-Q253 HydrophobicContact CB-CG 4.46Å; F212-Q253 HydrophobicContact CD1-CB 3.96Å; F212-Q253 HydrophobicContact CD2-CB 3.6Å; F212-Q253 HydrophobicContact CD2-CG 4.07Å; F212-Q253 HydrophobicContact CE1-CB 4.08Å; F212-Q253 HydrophobicContact CE2-CB 3.74Å; F212-Q253 HydrophobicContact CG-CB 3.71Å; F212-Q253 HydrophobicContact CG-CG 4.25Å; F212-Q253 HydrophobicContact CZ-CB 3.98Å; F212-M254 HydrophobicContact CZ-CG 4.12Å; F212-V266 HydrophobicContact CE1-CG2 4.04Å; F212-V266 HydrophobicContact CZ-CG2 4.14Å
213D89.2Confident86.9Confident44 Ų4440.5 Ų40.524%0.23519%0.193CC..Hα-helixtrans-65.4-41175.1-70.9-24.2000112.3K209 N210 R216 Q217K209-D213 PolarHBondContact O-N 2.87Å; N210-D213 PolarHBondContact O-N 2.67Å; D213-R216 WeakPolarHBondContact O-CB 3.47Å; D213-R216 PolarHBondContact O-N 2.64Å; D213-R216 IonicContact OD1-CZ 3.86Å; D213-R216 IonicContact OD1-NH1 2.69Å; D213-R216 PolarHBondContact OD1-NH1 3.06Å; D213-Q217 VanDerWaalsContact O-CG 3.31Å; D213-Q217 WeakPolarHBondContact O-CG 3.28Å; D213-Q217 PolarHBondContact O-N 2.96Å
214L88.3Confident87.8Confident24 Ų2437.8 Ų37.813%0.12618%0.18CC..Hα-helixtrans-64-43.6172.9-72.5173.5000111.3L112 F189 N210 L211 R216 Q217 H218L112-L214 HydrophobicContact CB-CD1 4.46Å; F189-L214 HydrophobicContact CE1-CB 4.05Å; F189-L214 HydrophobicContact CZ-CB 4.35Å; N210-L214 WeakPolarHBondContact O-CB 3.46Å; N210-L214 WeakPolarHBondContact O-CG 3.42Å; N210-L214 PolarHBondContact O-N 3.37Å; L211-L214 PolarHBondContact O-N 3.24Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 2.99Å; L214-Q217 PolarHBondContact O-N 3.45Å; L214-Q217 VanDerWaalsContact O-N 3.12Å; L214-H218 PolarHBondContact O-CD2 2.79Å; L214-H218 VanDerWaalsContact O-CD2 3.28Å; L214-H218 PolarHBondContact O-N 2.98Å; L214-H218 VanDerWaalsContact O-N 3.07Å
215A89.9Confident88.5Confident0 Ų037.8 Ų37.80%018%0.18CC..Hα-helixtrans-59.5-40.6174.300000111.9F189 L211 F212 Q217 H218 K219 S221 I223 I264F189-A215 HydrophobicContact CD2-CB 4.21Å; F189-A215 HydrophobicContact CE2-CB 4Å; L211-A215 WeakPolarHBondContact O-CB 3.37Å; L211-A215 PolarHBondContact O-N 2.77Å; F212-A215 PolarHBondContact O-N 2.82Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; A215-Q217 PolarHBondContact O-N 3.44Å; A215-H218 CarbonylContact O-C 3.59Å; A215-H218 PolarHBondContact O-N 3.31Å; A215-K219 PolarHBondContact O-N 2.81Å; A215-S221 PolarHBondContact O-OG 3Å; A215-S221 VanDerWaalsContact O-OG 3.08Å; A215-I223 HydrophobicContact CB-CD1 3.68Å; A215-I223 HydrophobicContact CB-CG1 3.87Å; A215-I264 HydrophobicContact CB-CD1 4.25Å; A215-I264 HydrophobicContact CB-CG2 4.41Å
216R89.2Confident88.9Confident36 Ų3637 Ų3714%0.13618%0.178CC..Hα-helixtrans-62.3-35.1174.8-72.8169.9-168126.86.3113.1F212 D213 L214 H218 K219 N259 N261 I264F212-R216 VanDerWaalsContact O-CG 3.24Å; F212-R216 WeakPolarHBondContact O-CG 3.35Å; F212-R216 PolarHBondContact O-N 2.71Å; D213-R216 WeakPolarHBondContact O-CB 3.47Å; D213-R216 PolarHBondContact O-N 2.64Å; D213-R216 IonicContact OD1-CZ 3.86Å; D213-R216 IonicContact OD1-NH1 2.69Å; D213-R216 PolarHBondContact OD1-NH1 3.06Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 2.99Å; R216-H218 VanDerWaalsContact C-N 3.34Å; R216-K219 WeakPolarHBondContact O-CG 3.41Å; R216-N259 PolarHBondContact NH1-ND2 2.94Å; R216-N261 PolarHBondContact NE-OD1 2.91Å; R216-N261 PolarHBondContact NH2-OD1 3.45Å; R216-I264 HydrophobicContact CB-CD1 4.23Å; R216-I264 HydrophobicContact CG-CD1 3.41Å; R216-I264 VanDerWaalsContact CG-CD1 3.41Å
217Q88.6Confident89.2Confident133 Ų13336 Ų3662%0.62118%0.175SC*.Hα-helixtrans-73.6-26.4176.9-6916733.600112.6D213 L214 A215D213-Q217 VanDerWaalsContact O-CG 3.31Å; D213-Q217 WeakPolarHBondContact O-CG 3.28Å; D213-Q217 PolarHBondContact O-N 2.96Å; L214-Q217 PolarHBondContact O-N 3.45Å; L214-Q217 VanDerWaalsContact O-N 3.12Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; A215-Q217 PolarHBondContact O-N 3.44Å
218H87.4Confident89.5Confident82 Ų8235.4 Ų35.438%0.3817%0.172SC..THydrogen-bonded Turntrans-110.229.3-174.2-72.7-72.1000114.4T187 F189 L214 A215 R216 P220T187-H218 HydrophobicContact CG2-CB 4.06Å; T187-H218 PolarHBondContact OG1-O 2.76Å; F189-H218 HydrophobicContact CE2-CB 4.17Å; F189-H218 HydrophobicContact CZ-CB 3.9Å; L214-H218 PolarHBondContact O-CD2 2.79Å; L214-H218 VanDerWaalsContact O-CD2 3.28Å; L214-H218 PolarHBondContact O-N 2.98Å; L214-H218 VanDerWaalsContact O-N 3.07Å; A215-H218 CarbonylContact O-C 3.59Å; A215-H218 PolarHBondContact O-N 3.31Å; R216-H218 VanDerWaalsContact C-N 3.34Å; H218-P220 CarbonylContact O-C 3.57Å
219K86.3Confident89.5Confident78 Ų7836.7 Ų36.734%0.33918%0.179SC..  trans-61.8141.6177.6-68.2173.9-178.5-161.50111.9A215 R216 N260 D262 I264A215-K219 PolarHBondContact O-N 2.81Å; R216-K219 WeakPolarHBondContact O-CG 3.41Å; K219-N260 PolarHBondContact NZ-O 3.24Å; K219-D262 VanDerWaalsContact CD-O 3.23Å; K219-D262 WeakPolarHBondContact CD-O 3.41Å; K219-D262 WeakPolarHBondContact CE-O 3.24Å; K219-D262 PolarHBondContact NZ-O 2.83Å; K219-I264 HydrophobicContact CG-CG1 4.14Å
220P85.8Confident89.3Confident67 Ų6734.3 Ų34.344%0.43518%0.175SC..SBendcis-74.4133.5-4.530.4-34000112S186 T187 H218 G263S186-P220 WeakPolarHBondContact CB-O 3.5Å; S186-P220 WeakPolarHBondContact OG-CB 3.3Å; S186-P220 WeakPolarHBondContact OG-CG 3.36Å; S186-P220 PolarHBondContact OG-O 3.02Å; T187-P220 PolarHBondContact N-O 3.21Å; H218-P220 CarbonylContact O-C 3.57Å; P220-G263 WeakPolarHBondContact CA-O 3.46Å
221S89Confident88.9Confident3 Ų332.9 Ų32.92%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-133.7148-173.562.10000112.9T187 A215 G263 I264 L265T187-S221 WeakPolarHBondContact O-CA 3.39Å; A215-S221 PolarHBondContact O-OG 3Å; A215-S221 VanDerWaalsContact O-OG 3.08Å; S221-G263 PolarHBondContact N-O 3.33Å; S221-G263 VanDerWaalsContact N-O 3.12Å; S221-I264 WeakPolarHBondContact O-CA 3.48Å; S221-L265 PolarHBondContact O-N 3.44Å; S221-L265 VanDerWaalsContact O-N 3.12Å
222I91.6Very high88Confident4 Ų432.9 Ų32.92%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-117.4123.6175-59.4-179.7000108.3V142 V179 A180 A183 T187 F188 F189 L265 L267V142-I222 HydrophobicContact CG1-CD1 4.3Å; V179-I222 HydrophobicContact CG1-CD1 4.03Å; A180-I222 HydrophobicContact CB-CD1 4.19Å; A183-I222 HydrophobicContact CB-CD1 4.1Å; T187-I222 PolarHBondContact O-N 3.49Å; F188-I222 HydrophobicContact CD2-CB 4.15Å; F188-I222 HydrophobicContact CD2-CG2 4.01Å; F188-I222 HydrophobicContact CE2-CG2 4.13Å; F189-I222 PolarHBondContact N-O 3.49Å; I222-L265 WeakPolarHBondContact CA-O 3.5Å; I222-L265 HydrophobicContact CD1-CD2 4.49Å; I222-L265 HydrophobicContact CG1-CB 4.42Å; I222-L265 HydrophobicContact CG1-CD2 4.44Å; I222-L267 HydrophobicContact CG2-CD1 3.58Å; I222-L267 HydrophobicContact CG2-CG 4.13Å
223I93.7Very high87Confident0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-96.8113.4171.3-58.1173.3000107.3F189 L211 F212 A215 I225 I264 L265 V266 L267F189-I223 HydrophobicContact CB-CG1 4.48Å; L211-I223 HydrophobicContact CD1-CG2 4.41Å; L211-I223 HydrophobicContact CD2-CG2 3.98Å; L211-I223 HydrophobicContact CG-CD1 4.46Å; L211-I223 HydrophobicContact CG-CG2 4.39Å; F212-I223 HydrophobicContact CD1-CD1 3.88Å; F212-I223 HydrophobicContact CD2-CD1 4.31Å; F212-I223 HydrophobicContact CE1-CD1 3.88Å; F212-I223 HydrophobicContact CE2-CD1 4.31Å; F212-I223 HydrophobicContact CG-CD1 4.12Å; F212-I223 HydrophobicContact CZ-CD1 4.1Å; A215-I223 HydrophobicContact CB-CD1 3.68Å; A215-I223 HydrophobicContact CB-CG1 3.87Å; I223-I225 HydrophobicContact CG2-CD1 4.41Å; I223-I225 HydrophobicContact CG2-CG1 4.04Å; I223-I264 HydrophobicContact CD1-CG2 3.95Å; I223-I264 HydrophobicContact CG1-CG2 4.3Å; I223-L265 PolarHBondContact N-O 3.43Å; I223-V266 CarbonylContact O-C 3.57Å; I223-V266 WeakPolarHBondContact O-CA 3.17Å; I223-L267 PolarHBondContact O-N 3.17Å
224F94.8Very high85.8Confident3 Ų334.2 Ų34.21%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-103.2122.9174.1178.7-107.6000110.5A176 F188 F189 V191 D226 L267 A269A176-F224 HydrophobicContact CB-CD2 3.4Å; A176-F224 VanDerWaalsContact CB-CD2 3.4Å; A176-F224 HydrophobicContact CB-CE2 3.44Å; A176-F224 VanDerWaalsContact CB-CE2 3.44Å; A176-F224 HydrophobicContact CB-CG 4.03Å; A176-F224 HydrophobicContact CB-CZ 4.09Å; F188-F224 HydrophobicContact CD2-CB 4.4Å; F188-F224 HydrophobicContact CE1-CB 4.09Å; F188-F224 HydrophobicContact CE1-CD1 4.42Å; F188-F224 HydrophobicContact CE2-CB 3.44Å; F188-F224 VanDerWaalsContact CE2-CB 3.44Å; F188-F224 HydrophobicContact CE2-CG 4.13Å; F188-F224 HydrophobicContact CZ-CB 3.25Å; F188-F224 AromaticContact CZ-CD1 3.86Å; F188-F224 HydrophobicContact CZ-CD1 3.86Å; F188-F224 HydrophobicContact CZ-CD2 4.46Å; F188-F224 AromaticContact CZ-CG 3.61Å; F188-F224 HydrophobicContact CZ-CG 3.61Å; F189-F224 PolarHBondContact O-N 2.76Å; V191-F224 PolarHBondContact N-O 3.3Å; F224-D226 HydrophobicContact CE1-CB 3.81Å; F224-D226 HydrophobicContact CZ-CB 4.19Å; F224-L267 CarbonylContact C-O 3.58Å; F224-L267 WeakPolarHBondContact CA-O 3.38Å; F224-L267 HydrophobicContact CD2-CB 3.84Å; F224-A269 HydrophobicContact CE2-CB 3.74Å; F224-A269 HydrophobicContact CZ-CB 3.66Å
225I92.9Very high84.6Confident4 Ų441.3 Ų41.32%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-114.3113.1177.6-50.4178.1000107.9V191 S193 I223 V228 F250 V266 L267 G268 A269V191-I225 HydrophobicContact CG1-CB 4.4Å; V191-I225 HydrophobicContact CG1-CG1 3.83Å; V191-I225 HydrophobicContact CG1-CG2 4.42Å; V191-I225 WeakPolarHBondContact O-CA 3.48Å; S193-I225 WeakPolarHBondContact OG-CG2 3.47Å; I223-I225 HydrophobicContact CG2-CD1 4.41Å; I223-I225 HydrophobicContact CG2-CG1 4.04Å; I225-V228 HydrophobicContact CB-CG1 3.69Å; I225-V228 HydrophobicContact CG2-CG1 3.61Å; I225-V228 WeakPolarHBondContact O-CG1 3.38Å; I225-F250 HydrophobicContact CD1-CD2 4.31Å; I225-F250 HydrophobicContact CD1-CE1 4.26Å; I225-F250 HydrophobicContact CD1-CE2 3.24Å; I225-F250 HydrophobicContact CD1-CZ 3.21Å; I225-V266 HydrophobicContact CD1-CG1 4.32Å; I225-L267 PolarHBondContact N-O 3.21Å; I225-G268 CarbonylContact O-C 3.58Å; I225-G268 WeakPolarHBondContact O-CA 3.43Å; I225-A269 PolarHBondContact O-N 3.04Å
226D91.2Very high83.3Confident42 Ų4246.5 Ų46.523%0.22524%0.236CC..EExtended strand (participates in β ladder)trans-84.2151.2173.3-143.2-19.1000110.7S173 V191 S193 F224 V228S173-D226 PolarHBondContact OG-OD2 3.29Å; V191-D226 PolarHBondContact O-N 3.08Å; V191-D226 VanDerWaalsContact O-N 3.11Å; S193-D226 PolarHBondContact N-O 2.94Å; S193-D226 PolarHBondContact OG-O 2.95Å; F224-D226 HydrophobicContact CE1-CB 3.81Å; F224-D226 HydrophobicContact CZ-CB 4.19Å; D226-V228 VanDerWaalsContact C-N 3.31Å; D226-V228 PolarHBondContact O-N 3.29Å
227E89.6Confident81.8Confident83 Ų8353.9 Ų53.939%0.38827%0.272SS..SBendtrans49.748.1179.9-57.6-179.6154.500113.1S193 D229 S230 A269S193-E227 WeakPolarHBondContact CB-O 3.33Å; S193-E227 PolarHBondContact OG-O 3.25Å; S193-E227 VanDerWaalsContact OG-O 3.08Å; E227-D229 VanDerWaalsContact C-OD1 3.29Å; E227-D229 WeakPolarHBondContact CA-OD1 3.41Å; E227-D229 PolarHBondContact O-N 3.4Å; E227-S230 PolarHBondContact O-N 2.91Å; E227-S230 PolarHBondContact O-OG 3.29Å; E227-A269 WeakPolarHBondContact CA-O 3.43Å; E227-A269 PolarHBondContact N-O 3.44Å
228V90.4Very high80.6Confident1 Ų155.4 Ų55.41%0.00629%0.285CS..Hα-helixtrans-55.2-23.4-176.2-68.50000113.4L163 S193 I225 D226 S230 L231 C232 A269 T270 L276 F284L163-V228 HydrophobicContact CD1-CG2 3.73Å; S193-V228 WeakPolarHBondContact OG-CA 3.46Å; I225-V228 HydrophobicContact CB-CG1 3.69Å; I225-V228 HydrophobicContact CG2-CG1 3.61Å; I225-V228 WeakPolarHBondContact O-CG1 3.38Å; D226-V228 VanDerWaalsContact C-N 3.31Å; D226-V228 PolarHBondContact O-N 3.29Å; V228-S230 VanDerWaalsContact C-N 3.27Å; V228-S230 PolarHBondContact O-N 2.8Å; V228-L231 PolarHBondContact O-N 3.21Å; V228-C232 WeakPolarHBondContact O-CB 3.45Å; V228-C232 PolarHBondContact O-N 3.3Å; V228-C232 PolarHBondContact O-SG 3.24Å; V228-C232 VanDerWaalsContact O-SG 3.41Å; V228-A269 WeakPolarHBondContact CG2-O 3.42Å; V228-A269 PolarHBondContact N-O 2.94Å; V228-T270 HydrophobicContact CG2-CG2 4.37Å; V228-L276 HydrophobicContact CG2-CD1 4.25Å; V228-L276 HydrophobicContact CG2-CD2 4.01Å; V228-F284 HydrophobicContact CG1-CZ 4.42Å
229D87.4Confident79.9Confident27 Ų2753.2 Ų53.214%0.14428%0.275CS..Hα-helixtrans-61.1-30.5175.446.5-69.8000113.7E227 L231 G233 T270 I272 V275 L276E227-D229 VanDerWaalsContact C-OD1 3.29Å; E227-D229 WeakPolarHBondContact CA-OD1 3.41Å; E227-D229 PolarHBondContact O-N 3.4Å; D229-L231 VanDerWaalsContact C-N 3.34Å; D229-G233 PolarHBondContact O-N 3.06Å; D229-T270 WeakPolarHBondContact CB-OG1 3.29Å; D229-T270 WeakPolarHBondContact OD1-CB 3.39Å; D229-T270 PolarHBondContact OD1-OG1 2.96Å; D229-I272 HydrophobicContact CB-CD1 4.1Å; D229-I272 HydrophobicContact CB-CG1 3.74Å; D229-I272 VanDerWaalsContact OD2-CD1 3.22Å; D229-I272 WeakPolarHBondContact OD2-CD1 3.49Å; D229-I272 WeakPolarHBondContact OD2-CG1 3.19Å; D229-V275 HydrophobicContact CB-CG2 3.65Å; D229-L276 HydrophobicContact CB-CD2 4.36Å
230S82.8Confident79.4Confident53 Ų5353 Ų5337%0.37128%0.283SS..Hα-helixtrans-70.7-30.5177.762.80000112.7S193 M197 E227 V228S193-S230 WeakPolarHBondContact CB-OG 2.86Å; M197-S230 WeakPolarHBondContact CE-O 3.5Å; E227-S230 PolarHBondContact O-N 2.91Å; E227-S230 PolarHBondContact O-OG 3.29Å; V228-S230 VanDerWaalsContact C-N 3.27Å; V228-S230 PolarHBondContact O-N 2.8Å
231L77.7Confident79Confident4 Ų455.5 Ų55.52%0.02129%0.289CS..Hα-helixtrans-88.9-29.9174.5-168.5141.8000113L196 M197 V228 D229 I246 F250L196-L231 HydrophobicContact CB-CD1 3.89Å; L196-L231 HydrophobicContact CD1-CD1 3.7Å; L196-L231 HydrophobicContact CG-CD1 4.45Å; M197-L231 HydrophobicContact CE-CB 4.32Å; M197-L231 HydrophobicContact CE-CG 4.44Å; V228-L231 PolarHBondContact O-N 3.21Å; D229-L231 VanDerWaalsContact C-N 3.34Å; L231-I246 HydrophobicContact CD1-CG2 3.74Å; L231-I246 HydrophobicContact CD2-CG2 4.35Å; L231-I246 HydrophobicContact CG-CG2 4.12Å; L231-F250 HydrophobicContact CD2-CB 4.36Å; L231-F250 HydrophobicContact CD2-CD1 4.32Å; L231-F250 HydrophobicContact CD2-CG 4.39Å
232C72.2Confident78.5Confident2 Ų256.5 Ų56.51%0.01430%0.298CS..Hα-helixtrans-11521.9-167.1-58.60000114V228 L276 D277 I280V228-C232 WeakPolarHBondContact O-CB 3.45Å; V228-C232 PolarHBondContact O-N 3.3Å; V228-C232 PolarHBondContact O-SG 3.24Å; V228-C232 VanDerWaalsContact O-SG 3.41Å; C232-L276 HydrophobicContact CB-CD2 3.58Å; C232-D277 PolarHBondContact O-N 3.38Å; C232-I280 HydrophobicContact CB-CB 4.14Å; C232-I280 HydrophobicContact CB-CD1 4.37Å; C232-I280 HydrophobicContact CB-CG1 3.83Å; C232-I280 HydrophobicContact CB-CG2 3.88Å
233G69.6Low77.9Confident20 Ų2056.9 Ų56.921%0.20630%0.301CS..BIsolated β-bridgetrans-52.4155.1177.500000113.2D229 K247 V275D229-G233 PolarHBondContact O-N 3.06Å; G233-K247 PolarHBondContact O-NZ 3.34Å; G233-V275 CarbonylContact C-O 3.6Å
234S62.8Low77.4Confident53 Ų5361.6 Ų61.637%0.37132%0.319SS..  trans-60.2137.8176.1-69.10000109.2N236 V275S234-N236 PolarHBondContact O-N 3.13Å; S234-N236 PolarHBondContact O-OD1 3.4Å; S234-V275 PolarHBondContact N-O 3.08Å; S234-V275 PolarHBondContact OG-O 3.28Å
235R63Low76.9Confident172 Ų17267.3 Ų67.365%0.64934%0.34SS*.  trans-58.8102.4-177.4-68.8179.5-179-156.8-4.7109.4D277R235-D277 IonicContact NE-OD1 3.4Å
236N63Low76.5Confident109 Ų10967.3 Ų67.358%0.58334%0.34SS*.  trans-95150.9171.3-69.8-13.6000108.7S234 N238 E239 R244S234-N236 PolarHBondContact O-N 3.13Å; S234-N236 PolarHBondContact O-OD1 3.4Å; N236-N238 PolarHBondContact O-N 2.95Å; N236-N238 VanDerWaalsContact O-N 3.16Å; N236-E239 VanDerWaalsContact O-CB 3.27Å; N236-E239 WeakPolarHBondContact O-CB 3.33Å; N236-E239 PolarHBondContact O-N 3.49Å; N236-R244 PolarHBondContact O-NH2 3.03Å; N236-R244 VanDerWaalsContact O-NH2 3.09Å
237E58.2Low76.3Confident191 Ų19165.6 Ų65.689%0.89333%0.331SS*.THydrogen-bonded Turntrans-58.8-27.2177.7-72.1-175.2155.100112.2
238N63.2Low76.2Confident165 Ų16565.2 Ų65.288%0.88233%0.334SS*.THydrogen-bonded Turntrans-89.39177.8-67.5-17.1000114.8N236 S240N236-N238 PolarHBondContact O-N 2.95Å; N236-N238 VanDerWaalsContact O-N 3.16Å; N238-S240 PolarHBondContact O-N 3.41Å
239E72.1Confident76.1Confident36 Ų3667.2 Ų67.217%0.16834%0.343CS..  trans-71.3128.7178.4-170.8-177-159.400110.8N236 E241 A243 R244N236-E239 VanDerWaalsContact O-CB 3.27Å; N236-E239 WeakPolarHBondContact O-CB 3.33Å; N236-E239 PolarHBondContact O-N 3.49Å; E239-E241 PolarHBondContact O-N 3.22Å; E239-A243 HydrophobicContact CG-CB 4.11Å; E239-R244 HydrophobicContact CG-CG 4.08Å; E239-R244 WeakPolarHBondContact OE2-CG 3.16Å; E239-R244 IonicContact OE2-NE 3.31Å; E239-R244 PolarHBondContact OE2-NE 3.29Å
240S75.8Confident76.2Confident73 Ų7366 Ų6651%0.5134%0.337SS..  trans-56.9137.7176.6177.70000111.1N238 A242 A243 R244N238-S240 PolarHBondContact O-N 3.41Å; S240-A242 PolarHBondContact O-N 3.18Å; S240-A242 PolarHBondContact OG-N 3.42Å; S240-A243 WeakPolarHBondContact O-CB 3.33Å; S240-A243 PolarHBondContact O-N 3.17Å; S240-R244 PolarHBondContact O-N 3.36Å
241E79.1Confident76.4Confident121 Ų12164.9 Ų64.957%0.56533%0.326SS*.Hα-helixtrans-55.6-35175.1-161.5-166.6165.100111.5E239 A243 R244 R245E239-E241 PolarHBondContact O-N 3.22Å; E241-A243 PolarHBondContact O-N 3.22Å; E241-R244 PolarHBondContact O-N 2.84Å; E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 3.36Å; E241-R245 VanDerWaalsContact O-N 3.08Å; E241-R245 IonicContact OE1-CZ 3.56Å; E241-R245 IonicContact OE1-NE 2.73Å; E241-R245 PolarHBondContact OE1-NE 3.37Å; E241-R245 IonicContact OE1-NH2 3.28Å; E241-R245 PolarHBondContact OE1-NH2 3.05Å; E241-R245 IonicContact OE2-NH2 3.36Å
242A77.9Confident77Confident24 Ų2467.3 Ų67.320%0.19834%0.341CS..Hα-helixtrans-60.2-45.8175.800000112.1L201 S240 R244 R245 I246L201-A242 HydrophobicContact CD2-CB 3.93Å; S240-A242 PolarHBondContact O-N 3.18Å; S240-A242 PolarHBondContact OG-N 3.42Å; A242-R244 VanDerWaalsContact C-N 3.32Å; A242-R244 PolarHBondContact O-N 3.23Å; A242-R245 PolarHBondContact O-N 3.22Å; A242-I246 WeakPolarHBondContact O-CD1 3.47Å; A242-I246 VanDerWaalsContact O-CG1 3.26Å; A242-I246 WeakPolarHBondContact O-CG1 3.43Å; A242-I246 PolarHBondContact O-N 3.04Å
243A79.2Confident77.8Confident11 Ų1167.7 Ų67.79%0.09134%0.343CS..Hα-helixtrans-62.6-40178.600000111.5M197 E239 S240 E241 R245 I246 K247M197-A243 HydrophobicContact CE-CB 4.25Å; M197-A243 HydrophobicContact SD-CB 4.46Å; E239-A243 HydrophobicContact CG-CB 4.11Å; S240-A243 WeakPolarHBondContact O-CB 3.33Å; S240-A243 PolarHBondContact O-N 3.17Å; E241-A243 PolarHBondContact O-N 3.22Å; A243-R245 PolarHBondContact O-N 3.36Å; A243-I246 PolarHBondContact O-N 3.38Å; A243-K247 WeakPolarHBondContact O-CB 3.48Å; A243-K247 PolarHBondContact O-N 3.11Å
244R81.9Confident78.7Confident100 Ų10067.4 Ų67.438%0.37734%0.337SS..Hα-helixtrans-62.2-41.1176.1-69.2-177.4-179.9164.17.5112.6N236 E239 S240 E241 A242 T248N236-R244 PolarHBondContact O-NH2 3.03Å; N236-R244 VanDerWaalsContact O-NH2 3.09Å; E239-R244 HydrophobicContact CG-CG 4.08Å; E239-R244 WeakPolarHBondContact OE2-CG 3.16Å; E239-R244 IonicContact OE2-NE 3.31Å; E239-R244 PolarHBondContact OE2-NE 3.29Å; S240-R244 PolarHBondContact O-N 3.36Å; E241-R244 PolarHBondContact O-N 2.84Å; A242-R244 VanDerWaalsContact C-N 3.32Å; A242-R244 PolarHBondContact O-N 3.23Å; R244-T248 WeakPolarHBondContact O-CB 3.44Å; R244-T248 PolarHBondContact O-N 3.45Å; R244-T248 PolarHBondContact O-OG1 2.92Å
245R84.9Confident79.6Confident123 Ų12369.2 Ų69.246%0.46434%0.339SS..Hα-helixtrans-68.3-43.7178-64.6178.1-173.6-1721.3111.6E205 E241 A242 A243 K247 T248 E249E205-R245 HydrophobicContact CG-CB 4.29Å; E205-R245 WeakPolarHBondContact OE1-CB 3.42Å; E205-R245 WeakPolarHBondContact OE1-CD 3.39Å; E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 3.36Å; E241-R245 VanDerWaalsContact O-N 3.08Å; E241-R245 IonicContact OE1-CZ 3.56Å; E241-R245 IonicContact OE1-NE 2.73Å; E241-R245 PolarHBondContact OE1-NE 3.37Å; E241-R245 IonicContact OE1-NH2 3.28Å; E241-R245 PolarHBondContact OE1-NH2 3.05Å; E241-R245 IonicContact OE2-NH2 3.36Å; A242-R245 PolarHBondContact O-N 3.22Å; A243-R245 PolarHBondContact O-N 3.36Å; R245-K247 PolarHBondContact O-N 2.97Å; R245-T248 WeakPolarHBondContact O-CB 3.19Å; R245-T248 PolarHBondContact O-N 3.21Å; R245-T248 VanDerWaalsContact O-N 3.15Å; R245-E249 PolarHBondContact O-N 3.45Å
246I85Confident80.2Confident4 Ų461.7 Ų61.72%0.02132%0.315CS..Hα-helixtrans-57.8-47.9175.2-65.2162.6000111V208 L231 A242 A243 T248 E249 F250V208-I246 HydrophobicContact CG2-CG2 4.1Å; L231-I246 HydrophobicContact CD1-CG2 3.74Å; L231-I246 HydrophobicContact CD2-CG2 4.35Å; L231-I246 HydrophobicContact CG-CG2 4.12Å; A242-I246 WeakPolarHBondContact O-CD1 3.47Å; A242-I246 VanDerWaalsContact O-CG1 3.26Å; A242-I246 WeakPolarHBondContact O-CG1 3.43Å; A242-I246 PolarHBondContact O-N 3.04Å; A243-I246 PolarHBondContact O-N 3.38Å; I246-T248 VanDerWaalsContact C-N 3.29Å; I246-T248 PolarHBondContact O-N 3Å; I246-E249 PolarHBondContact O-N 2.92Å; I246-F250 WeakPolarHBondContact O-CB 3.39Å; I246-F250 PolarHBondContact O-N 3.38Å
247K86Confident80.2Confident6 Ų661.1 Ų61.13%0.02632%0.315CS..Hα-helixtrans-61.2-38.7177.4-179.6176.3173.4-177.20112.2G233 A243 R245 L251 D277 I280G233-K247 PolarHBondContact O-NZ 3.34Å; A243-K247 WeakPolarHBondContact O-CB 3.48Å; A243-K247 PolarHBondContact O-N 3.11Å; R245-K247 PolarHBondContact O-N 2.97Å; K247-L251 WeakPolarHBondContact O-CG 3.43Å; K247-L251 PolarHBondContact O-N 3.35Å; K247-D277 VanDerWaalsContact CE-CB 3.41Å; K247-D277 VanDerWaalsContact CE-CG 3.47Å; K247-D277 WeakPolarHBondContact CE-OD1 3.4Å; K247-D277 IonicContact NZ-OD1 3.46Å; K247-D277 PolarHBondContact NZ-OD1 3.07Å; K247-I280 HydrophobicContact CG-CD1 4.37Å; K247-I280 HydrophobicContact CG-CG1 4.38Å
248T87.9Confident80.1Confident74 Ų7455.8 Ų55.845%0.45431%0.311SS..Hα-helixtrans-66.1-46.9176.3-57.20000110.8R244 R245 I246 F250 L251 V252R244-T248 WeakPolarHBondContact O-CB 3.44Å; R244-T248 PolarHBondContact O-N 3.45Å; R244-T248 PolarHBondContact O-OG1 2.92Å; R245-T248 WeakPolarHBondContact O-CB 3.19Å; R245-T248 PolarHBondContact O-N 3.21Å; R245-T248 VanDerWaalsContact O-N 3.15Å; I246-T248 VanDerWaalsContact C-N 3.29Å; I246-T248 PolarHBondContact O-N 3Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 2.94Å; T248-L251 WeakPolarHBondContact O-CB 3.45Å; T248-L251 PolarHBondContact O-N 3.1Å; T248-V252 WeakPolarHBondContact O-CG2 3.5Å; T248-V252 PolarHBondContact O-N 2.87Å
249E88.4Confident80.5Confident43 Ų4351.2 Ų51.220%0.20129%0.286CS..Hα-helixtrans-60.6-44.8176.9-177.757.4-155.600111.2E205 V208 R245 I246 L251 V252 Q253E205-E249 HydrophobicContact CB-CG 4.48Å; V208-E249 HydrophobicContact CB-CG 4.3Å; V208-E249 HydrophobicContact CG1-CG 4.2Å; R245-E249 PolarHBondContact O-N 3.45Å; I246-E249 PolarHBondContact O-N 2.92Å; E249-L251 VanDerWaalsContact C-N 3.34Å; E249-L251 PolarHBondContact O-N 3.23Å; E249-V252 PolarHBondContact O-N 3.45Å; E249-V252 VanDerWaalsContact O-N 3.17Å; E249-Q253 HydrophobicContact CG-CG 4.5Å; E249-Q253 WeakPolarHBondContact O-CG 3.47Å; E249-Q253 PolarHBondContact O-N 3.11Å; E249-Q253 PolarHBondContact OE1-NE2 3.42Å
250F89.3Confident80.6Confident3 Ų354 Ų541%0.01330%0.303CS..Hα-helixtrans-58.3-44176.3-176.6-111.7000112.4V208 F212 I225 L231 I246 T248 V252 Q253 M254 V266 I280V208-F250 HydrophobicContact CG1-CB 4.14Å; V208-F250 HydrophobicContact CG1-CD2 4.07Å; F212-F250 AromaticContact CE2-CD2 3.83Å; F212-F250 HydrophobicContact CE2-CD2 3.83Å; F212-F250 AromaticContact CE2-CE2 3.73Å; F212-F250 HydrophobicContact CE2-CE2 3.73Å; F212-F250 HydrophobicContact CZ-CD2 4.21Å; F212-F250 AromaticContact CZ-CE2 3.79Å; F212-F250 HydrophobicContact CZ-CE2 3.79Å; I225-F250 HydrophobicContact CD1-CD2 4.31Å; I225-F250 HydrophobicContact CD1-CE1 4.26Å; I225-F250 HydrophobicContact CD1-CE2 3.24Å; I225-F250 HydrophobicContact CD1-CZ 3.21Å; L231-F250 HydrophobicContact CD2-CB 4.36Å; L231-F250 HydrophobicContact CD2-CD1 4.32Å; L231-F250 HydrophobicContact CD2-CG 4.39Å; I246-F250 WeakPolarHBondContact O-CB 3.39Å; I246-F250 PolarHBondContact O-N 3.38Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 2.94Å; F250-V252 PolarHBondContact O-N 2.99Å; F250-Q253 PolarHBondContact O-N 3.18Å; F250-M254 HydrophobicContact CD1-CG 4.44Å; F250-M254 HydrophobicContact CD1-SD 3.97Å; F250-M254 HydrophobicContact CE1-CG 4.03Å; F250-M254 HydrophobicContact CE1-SD 3.29Å; F250-M254 WeakPolarHBondContact CE1-SD 3.46Å; F250-M254 HydrophobicContact CE2-CG 4.18Å; F250-M254 HydrophobicContact CE2-SD 4.43Å; F250-M254 HydrophobicContact CZ-CG 3.86Å; F250-M254 HydrophobicContact CZ-SD 3.55Å; F250-M254 VanDerWaalsContact CZ-SD 3.55Å; F250-M254 WeakPolarHBondContact O-CG 3.31Å; F250-M254 PolarHBondContact O-N 3.39Å; F250-V266 HydrophobicContact CZ-CG1 4.17Å; F250-I280 HydrophobicContact CD1-CD1 3.77Å; F250-I280 HydrophobicContact CE1-CD1 4.17Å
251L88.2Confident80.7Confident28 Ų2851 Ų5115%0.14728%0.281CS..Hα-helixtrans-61.9-41.6175.4-77.3169.6000112.9K247 T248 E249 M254 Q255 A279 I280 R283K247-L251 WeakPolarHBondContact O-CG 3.43Å; K247-L251 PolarHBondContact O-N 3.35Å; T248-L251 WeakPolarHBondContact O-CB 3.45Å; T248-L251 PolarHBondContact O-N 3.1Å; E249-L251 VanDerWaalsContact C-N 3.34Å; E249-L251 PolarHBondContact O-N 3.23Å; L251-M254 PolarHBondContact O-N 3.24Å; L251-Q255 PolarHBondContact O-N 3.08Å; L251-Q255 VanDerWaalsContact O-N 3.13Å; L251-A279 HydrophobicContact CD1-CB 4.01Å; L251-A279 HydrophobicContact CD2-CB 4.44Å; L251-I280 HydrophobicContact CD1-CD1 4.26Å; L251-I280 HydrophobicContact CD2-CD1 3.41Å; L251-I280 VanDerWaalsContact CD2-CD1 3.41Å; L251-I280 HydrophobicContact CD2-CG1 4Å; L251-I280 HydrophobicContact CG-CD1 3.6Å; L251-I280 HydrophobicContact CG-CG1 4.33Å; L251-R283 HydrophobicContact CD2-CG 3.62Å
252V89.3Confident80.8Confident55 Ų5549.2 Ų49.233%0.33328%0.275SS..Hα-helixtrans-63.9-44.7177.3170.80000110.1T248 E249 F250 Q255 G256T248-V252 WeakPolarHBondContact O-CG2 3.5Å; T248-V252 PolarHBondContact O-N 2.87Å; E249-V252 PolarHBondContact O-N 3.45Å; E249-V252 VanDerWaalsContact O-N 3.17Å; F250-V252 PolarHBondContact O-N 2.99Å; V252-Q255 PolarHBondContact O-N 3.49Å; V252-G256 PolarHBondContact O-N 3.19Å
253Q89.6Confident80.9Confident10 Ų1050.4 Ų50.45%0.04729%0.29CS..Hα-helixtrans-65-39.8177.8-67.8-57-28.700112.5V208 F212 E249 F250 Q255 G256 N261V208-Q253 HydrophobicContact CG1-CG 4.28Å; F212-Q253 HydrophobicContact CB-CB 4.36Å; F212-Q253 HydrophobicContact CB-CG 4.46Å; F212-Q253 HydrophobicContact CD1-CB 3.96Å; F212-Q253 HydrophobicContact CD2-CB 3.6Å; F212-Q253 HydrophobicContact CD2-CG 4.07Å; F212-Q253 HydrophobicContact CE1-CB 4.08Å; F212-Q253 HydrophobicContact CE2-CB 3.74Å; F212-Q253 HydrophobicContact CG-CB 3.71Å; F212-Q253 HydrophobicContact CG-CG 4.25Å; F212-Q253 HydrophobicContact CZ-CB 3.98Å; E249-Q253 HydrophobicContact CG-CG 4.5Å; E249-Q253 WeakPolarHBondContact O-CG 3.47Å; E249-Q253 PolarHBondContact O-N 3.11Å; E249-Q253 PolarHBondContact OE1-NE2 3.42Å; F250-Q253 PolarHBondContact O-N 3.18Å; Q253-Q255 VanDerWaalsContact C-N 3.34Å; Q253-Q255 PolarHBondContact O-N 3.06Å; Q253-G256 PolarHBondContact O-N 3.41Å; Q253-G256 VanDerWaalsContact O-N 3.16Å; Q253-N261 PolarHBondContact O-ND2 2.89Å
254M87.8Confident81.4Confident15 Ų1550.6 Ų50.67%0.07429%0.289CS..Hα-helixtrans-62.5-38.5175.1-74.4-173.483.700112.7F212 F250 L251 G256 N261 V266 R283 F284F212-M254 HydrophobicContact CZ-CG 4.12Å; F250-M254 HydrophobicContact CD1-CG 4.44Å; F250-M254 HydrophobicContact CD1-SD 3.97Å; F250-M254 HydrophobicContact CE1-CG 4.03Å; F250-M254 HydrophobicContact CE1-SD 3.29Å; F250-M254 WeakPolarHBondContact CE1-SD 3.46Å; F250-M254 HydrophobicContact CE2-CG 4.18Å; F250-M254 HydrophobicContact CE2-SD 4.43Å; F250-M254 HydrophobicContact CZ-CG 3.86Å; F250-M254 HydrophobicContact CZ-SD 3.55Å; F250-M254 VanDerWaalsContact CZ-SD 3.55Å; F250-M254 WeakPolarHBondContact O-CG 3.31Å; F250-M254 PolarHBondContact O-N 3.39Å; L251-M254 PolarHBondContact O-N 3.24Å; M254-G256 VanDerWaalsContact C-N 3.26Å; M254-G256 PolarHBondContact O-N 3.02Å; M254-N261 PolarHBondContact O-ND2 2.81Å; M254-V266 HydrophobicContact CE-CB 4.23Å; M254-V266 HydrophobicContact CE-CG1 4.14Å; M254-R283 HydrophobicContact CE-CB 3.64Å; M254-R283 HydrophobicContact SD-CB 3.82Å; M254-R283 HydrophobicContact SD-CG 4.43Å; M254-F284 HydrophobicContact CE-CD1 4.36Å; M254-F284 HydrophobicContact CE-CE1 4.1Å; M254-F284 HydrophobicContact CE-CZ 4.22Å
255Q81.3Confident81.9Confident91 Ų9146.5 Ų46.543%0.42528%0.275SS..Hα-helixtrans-66-31.3175.4-77.4-179.9-42.700112.4L251 V252 Q253 V257L251-Q255 PolarHBondContact O-N 3.08Å; L251-Q255 VanDerWaalsContact O-N 3.13Å; V252-Q255 PolarHBondContact O-N 3.49Å; Q253-Q255 VanDerWaalsContact C-N 3.34Å; Q253-Q255 PolarHBondContact O-N 3.06Å; Q255-V257 VanDerWaalsContact C-N 3.34Å; Q255-V257 HydrophobicContact CB-CG2 3.77Å
256G76Confident82.3Confident13 Ų1341 Ų4113%0.13425%0.254CS..THydrogen-bonded Turntrans69.932.4-172.700000112.1V252 Q253 M254 G258 N259 N261V252-G256 PolarHBondContact O-N 3.19Å; Q253-G256 PolarHBondContact O-N 3.41Å; Q253-G256 VanDerWaalsContact O-N 3.16Å; M254-G256 VanDerWaalsContact C-N 3.26Å; M254-G256 PolarHBondContact O-N 3.02Å; G256-G258 PolarHBondContact O-N 3.03Å; G256-N259 PolarHBondContact O-N 3.47Å; G256-N261 VanDerWaalsContact CA-ND2 3.29Å; G256-N261 WeakPolarHBondContact CA-ND2 3.06Å; G256-N261 PolarHBondContact N-ND2 3.2Å
257V63Low82.8Confident98 Ų9840.8 Ų40.859%0.59425%0.254SS*.THydrogen-bonded Turntrans-59.8115.9174.7-1780000108.3Q255 N259Q255-V257 VanDerWaalsContact C-N 3.34Å; Q255-V257 HydrophobicContact CB-CG2 3.77Å; V257-N259 VanDerWaalsContact C-N 3.33Å; V257-N259 PolarHBondContact O-N 3.04Å
258G56.8Low83.2Confident78 Ų7840.5 Ų40.580%0.80425%0.252SS*.THydrogen-bonded Turntrans79.71.2-177.600000116G256G256-G258 PolarHBondContact O-N 3.03Å
259N71.1Confident83.5Confident69 Ų6937 Ų3737%0.36923%0.231SC..SBendtrans-137.1140.8-176.8-73.8-40.4000112.5R216 G256 V257 N261R216-N259 PolarHBondContact NH1-ND2 2.94Å; G256-N259 PolarHBondContact O-N 3.47Å; V257-N259 VanDerWaalsContact C-N 3.33Å; V257-N259 PolarHBondContact O-N 3.04Å; N259-N261 PolarHBondContact O-N 3.28Å
260N74.1Confident83.8Confident96 Ų9635 Ų3551%0.51322%0.221SC..  trans-77.6106.9175.2-170.7-0.9000111.2K219 D262K219-N260 PolarHBondContact NZ-O 3.24Å; N260-D262 PolarHBondContact ND2-OD2 2.96Å; N260-D262 WeakPolarHBondContact OD1-CB 3.41Å; N260-D262 PolarHBondContact OD1-N 3.44Å; N260-D262 PolarHBondContact OD1-OD1 3.41Å; N260-D262 PolarHBondContact OD1-OD2 3.28Å; N260-D262 VanDerWaalsContact OD1-OD2 3.04Å
261N78.8Confident84Confident8 Ų837 Ų374%0.04323%0.233CC..  trans-91.19.2174.7-76.3-0.9000114.1R216 Q253 M254 G256 N259 G263 I264R216-N261 PolarHBondContact NE-OD1 2.91Å; R216-N261 PolarHBondContact NH2-OD1 3.45Å; Q253-N261 PolarHBondContact O-ND2 2.89Å; M254-N261 PolarHBondContact O-ND2 2.81Å; G256-N261 VanDerWaalsContact CA-ND2 3.29Å; G256-N261 WeakPolarHBondContact CA-ND2 3.06Å; G256-N261 PolarHBondContact N-ND2 3.2Å; N259-N261 PolarHBondContact O-N 3.28Å; N261-G263 PolarHBondContact O-N 3.38Å; N261-I264 PolarHBondContact O-N 3.22Å; N261-I264 VanDerWaalsContact O-N 3.14Å
262D79.7Confident84.1Confident85 Ų8538.6 Ų38.646%0.45524%0.24SC..THydrogen-bonded Turntrans-59.1134.1176.1-64.6-18.3000110.6R160 K219 N260 I264R160-D262 IonicContact CZ-OD1 3.91Å; R160-D262 IonicContact NH2-OD1 2.81Å; R160-D262 PolarHBondContact NH2-OD1 3.07Å; K219-D262 VanDerWaalsContact CD-O 3.23Å; K219-D262 WeakPolarHBondContact CD-O 3.41Å; K219-D262 WeakPolarHBondContact CE-O 3.24Å; K219-D262 PolarHBondContact NZ-O 2.83Å; N260-D262 PolarHBondContact ND2-OD2 2.96Å; N260-D262 WeakPolarHBondContact OD1-CB 3.41Å; N260-D262 PolarHBondContact OD1-N 3.44Å; N260-D262 PolarHBondContact OD1-OD1 3.41Å; N260-D262 PolarHBondContact OD1-OD2 3.28Å; N260-D262 VanDerWaalsContact OD1-OD2 3.04Å; D262-I264 VanDerWaalsContact C-N 3.33Å
263G81.1Confident84.2Confident49 Ų4936 Ų3651%0.50523%0.225SC..THydrogen-bonded Turntrans79.410.5-177.300000115.1P220 S221 N261P220-G263 WeakPolarHBondContact CA-O 3.46Å; S221-G263 PolarHBondContact N-O 3.33Å; S221-G263 VanDerWaalsContact N-O 3.12Å; N261-G263 PolarHBondContact O-N 3.38Å
264I89.6Confident84.2Confident14 Ų1439.5 Ų39.57%0.07224%0.237CC..EExtended strand (participates in β ladder)trans-113.4127.3171-56.2173.4000109.1A215 R216 K219 S221 I223 N261 D262A215-I264 HydrophobicContact CB-CD1 4.25Å; A215-I264 HydrophobicContact CB-CG2 4.41Å; R216-I264 HydrophobicContact CB-CD1 4.23Å; R216-I264 HydrophobicContact CG-CD1 3.41Å; R216-I264 VanDerWaalsContact CG-CD1 3.41Å; K219-I264 HydrophobicContact CG-CG1 4.14Å; S221-I264 WeakPolarHBondContact O-CA 3.48Å; I223-I264 HydrophobicContact CD1-CG2 3.95Å; I223-I264 HydrophobicContact CG1-CG2 4.3Å; N261-I264 PolarHBondContact O-N 3.22Å; N261-I264 VanDerWaalsContact O-N 3.14Å; D262-I264 VanDerWaalsContact C-N 3.33Å
265L91.1Very high84.3Confident15 Ų1540.7 Ų40.78%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-112.2132.8172.2175.368.9000109.9V142 W159 I162 S221 I222 I223 L267V142-L265 HydrophobicContact CB-CD2 4.14Å; V142-L265 HydrophobicContact CG1-CD2 3.73Å; V142-L265 HydrophobicContact CG2-CD2 3.36Å; W159-L265 WeakPolarHBondContact O-CD1 3.27Å; I162-L265 HydrophobicContact CD1-CD1 3.87Å; I162-L265 HydrophobicContact CD1-CD2 4.27Å; I162-L265 HydrophobicContact CG1-CD1 4.06Å; S221-L265 PolarHBondContact O-N 3.44Å; S221-L265 VanDerWaalsContact O-N 3.12Å; I222-L265 WeakPolarHBondContact CA-O 3.5Å; I222-L265 HydrophobicContact CD1-CD2 4.49Å; I222-L265 HydrophobicContact CG1-CB 4.42Å; I222-L265 HydrophobicContact CG1-CD2 4.44Å; I223-L265 PolarHBondContact N-O 3.43Å; L265-L267 HydrophobicContact CD2-CD1 4.44Å; L265-L267 HydrophobicContact CD2-CD2 4.49Å; L265-L267 HydrophobicContact CD2-CG 4.16Å; L265-L267 HydrophobicContact CG-CG 4.4Å
266V93.9Very high84.7Confident6 Ų636.4 Ų36.44%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-102.2116.6171.9-173.90000109.5R160 G161 I162 F212 I223 I225 F250 M254 F284R160-V266 PolarHBondContact O-N 3.01Å; G161-V266 WeakPolarHBondContact CA-O 3.46Å; I162-V266 PolarHBondContact N-O 2.92Å; F212-V266 HydrophobicContact CE1-CG2 4.04Å; F212-V266 HydrophobicContact CZ-CG2 4.14Å; I223-V266 CarbonylContact O-C 3.57Å; I223-V266 WeakPolarHBondContact O-CA 3.17Å; I225-V266 HydrophobicContact CD1-CG1 4.32Å; F250-V266 HydrophobicContact CZ-CG1 4.17Å; M254-V266 HydrophobicContact CE-CB 4.23Å; M254-V266 HydrophobicContact CE-CG1 4.14Å; V266-F284 HydrophobicContact CG1-CE1 4.11Å; V266-F284 HydrophobicContact CG1-CZ 4.42Å
267L94.8Very high85.1Confident0 Ų036.7 Ų36.70%022%0.224CC..EExtended strand (participates in β ladder)trans-102.1123.9170.6-75.1170.3000109.6L138 I162 A176 V179 I222 I223 F224 I225 L265L138-L267 HydrophobicContact CD2-CD2 4.26Å; I162-L267 HydrophobicContact CB-CD2 3.66Å; I162-L267 HydrophobicContact CD1-CD2 4.3Å; I162-L267 HydrophobicContact CG2-CD2 3.89Å; I162-L267 CarbonylContact O-C 3.47Å; I162-L267 WeakPolarHBondContact O-CA 3.4Å; A176-L267 HydrophobicContact CB-CD1 4.26Å; V179-L267 HydrophobicContact CG1-CD1 4.42Å; I222-L267 HydrophobicContact CG2-CD1 3.58Å; I222-L267 HydrophobicContact CG2-CG 4.13Å; I223-L267 PolarHBondContact O-N 3.17Å; F224-L267 CarbonylContact C-O 3.58Å; F224-L267 WeakPolarHBondContact CA-O 3.38Å; F224-L267 HydrophobicContact CD2-CB 3.84Å; I225-L267 PolarHBondContact N-O 3.21Å; L265-L267 HydrophobicContact CD2-CD1 4.44Å; L265-L267 HydrophobicContact CD2-CD2 4.49Å; L265-L267 HydrophobicContact CD2-CG 4.16Å; L265-L267 HydrophobicContact CG-CG 4.4Å
268G95Very high86.2Confident0 Ų034.2 Ų34.20%021%0.214CC..EExtended strand (participates in β ladder)trans-107.4144.8170.600000111.1I162 L164 I225I162-G268 PolarHBondContact O-N 3.15Å; L164-G268 PolarHBondContact N-O 3.02Å; I225-G268 CarbonylContact O-C 3.58Å; I225-G268 WeakPolarHBondContact O-CA 3.43Å
269A95.1Very high87.6Confident0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-120.6138.2167.900000111.3L164 K172 F224 I225 E227 V228L164-A269 VanDerWaalsContact O-CA 3.31Å; L164-A269 WeakPolarHBondContact O-CA 3.44Å; K172-A269 HydrophobicContact CB-CB 4.12Å; K172-A269 HydrophobicContact CD-CB 4.38Å; F224-A269 HydrophobicContact CE2-CB 3.74Å; F224-A269 HydrophobicContact CZ-CB 3.66Å; I225-A269 PolarHBondContact O-N 3.04Å; E227-A269 WeakPolarHBondContact CA-O 3.43Å; E227-A269 PolarHBondContact N-O 3.44Å; V228-A269 WeakPolarHBondContact CG2-O 3.42Å; V228-A269 PolarHBondContact N-O 2.94Å
270T93.9Very high88.4Confident1 Ų128.8 Ų28.81%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-147.5150.3174.6-1750000112.4L163 L164 F165 G166 K172 V228 D229 I272 P273 L276L163-T270 HydrophobicContact CD1-CG2 4Å; L163-T270 HydrophobicContact CD2-CG2 4.41Å; L163-T270 HydrophobicContact CG-CG2 4.42Å; L164-T270 PolarHBondContact O-N 3.43Å; F165-T270 WeakPolarHBondContact CA-O 3.2Å; F165-T270 HydrophobicContact CB-CG2 3.79Å; G166-T270 PolarHBondContact N-O 3.14Å; K172-T270 WeakPolarHBondContact CE-O 3.42Å; V228-T270 HydrophobicContact CG2-CG2 4.37Å; D229-T270 WeakPolarHBondContact CB-OG1 3.29Å; D229-T270 WeakPolarHBondContact OD1-CB 3.39Å; D229-T270 PolarHBondContact OD1-OG1 2.96Å; T270-I272 PolarHBondContact OG1-N 3.45Å; T270-P273 HydrophobicContact CG2-CB 3.87Å; T270-L276 HydrophobicContact CG2-CD1 4Å
271N93.2Very high89.1Confident47 Ų4725.7 Ų25.725%0.25115%0.152SC..SBendtrans-96-19.3171.5-60.3-45.6000112.8G166 P168 K172 P273G166-N271 WeakPolarHBondContact O-CA 3.45Å; G166-N271 PolarHBondContact O-OD1 2.95Å; P168-N271 WeakPolarHBondContact CA-OD1 3.36Å; K172-N271 WeakPolarHBondContact CE-OD1 3.42Å; K172-N271 PolarHBondContact NZ-OD1 3.38Å; N271-P273 WeakPolarHBondContact O-CD 3.43Å
272I91.8Very high89.5Confident60 Ų6033.7 Ų33.731%0.30818%0.181SC..  trans-129.361.6-17153.2169000111.3D229 T270 W274 V275D229-I272 HydrophobicContact CB-CD1 4.1Å; D229-I272 HydrophobicContact CB-CG1 3.74Å; D229-I272 VanDerWaalsContact OD2-CD1 3.22Å; D229-I272 WeakPolarHBondContact OD2-CD1 3.49Å; D229-I272 WeakPolarHBondContact OD2-CG1 3.19Å; T270-I272 PolarHBondContact OG1-N 3.45Å; I272-W274 HydrophobicContact CB-CH2 4.32Å; I272-W274 HydrophobicContact CB-CZ2 3.82Å; I272-W274 HydrophobicContact CG2-CH2 3.99Å; I272-W274 HydrophobicContact CG2-CZ2 3.54Å; I272-W274 PolarHBondContact O-N 3Å; I272-V275 HydrophobicContact CB-CG1 4.48Å; I272-V275 HydrophobicContact CD1-CB 4.5Å; I272-V275 HydrophobicContact CD1-CG1 4.04Å; I272-V275 HydrophobicContact CD1-CG2 3.63Å; I272-V275 HydrophobicContact CG1-CG2 3.84Å; I272-V275 WeakPolarHBondContact O-CG2 3.4Å; I272-V275 PolarHBondContact O-N 3.16Å
273P91.4Very high89.9Confident0 Ų033.5 Ų33.50%018%0.175CC..G310 helixtrans-62.2-20.7-168.229.6-40.3000114.7F165 T270 N271 V275 L276 F428F165-P273 HydrophobicContact CB-CB 3.99Å; F165-P273 HydrophobicContact CB-CG 4.14Å; F165-P273 HydrophobicContact CD2-CB 4.28Å; F165-P273 HydrophobicContact CD2-CG 3.78Å; F165-P273 HydrophobicContact CG-CB 4.24Å; F165-P273 HydrophobicContact CG-CG 4.2Å; T270-P273 HydrophobicContact CG2-CB 3.87Å; N271-P273 WeakPolarHBondContact O-CD 3.43Å; P273-V275 VanDerWaalsContact C-N 3.27Å; P273-V275 PolarHBondContact O-N 3.35Å; P273-L276 WeakPolarHBondContact O-CB 3.49Å; P273-L276 PolarHBondContact O-N 3.02Å; P273-F428 HydrophobicContact CB-CD1 3.73Å; P273-F428 HydrophobicContact CB-CD2 4.08Å; P273-F428 HydrophobicContact CB-CE1 3.54Å; P273-F428 HydrophobicContact CB-CE2 3.89Å; P273-F428 HydrophobicContact CB-CG 4.01Å; P273-F428 HydrophobicContact CB-CZ 3.63Å; P273-F428 HydrophobicContact CG-CB 4.22Å; P273-F428 HydrophobicContact CG-CD1 3.56Å; P273-F428 HydrophobicContact CG-CD2 4.12Å; P273-F428 HydrophobicContact CG-CE1 3.93Å; P273-F428 HydrophobicContact CG-CE2 4.43Å; P273-F428 HydrophobicContact CG-CG 3.68Å; P273-F428 HydrophobicContact CG-CZ 4.35Å; P273-F428 VanDerWaalsContact O-CE2 3.3Å; P273-F428 WeakPolarHBondContact O-CE2 3.46Å
274W89.8Confident90.4Very high84 Ų8431.2 Ų31.232%0.31815%0.151SC..G310 helixtrans-67-23.317753.383.9000113.9I272 L276 K424 V425 F428I272-W274 HydrophobicContact CB-CH2 4.32Å; I272-W274 HydrophobicContact CB-CZ2 3.82Å; I272-W274 HydrophobicContact CG2-CH2 3.99Å; I272-W274 HydrophobicContact CG2-CZ2 3.54Å; I272-W274 PolarHBondContact O-N 3Å; W274-L276 VanDerWaalsContact C-N 3.28Å; W274-K424 HydrophobicContact CD2-CB 4.39Å; W274-K424 HydrophobicContact CE3-CB 3.9Å; W274-K424 HydrophobicContact CH2-CB 3.65Å; W274-K424 HydrophobicContact CH2-CD 3.99Å; W274-K424 HydrophobicContact CH2-CG 4.49Å; W274-K424 HydrophobicContact CZ2-CB 4.16Å; W274-K424 HydrophobicContact CZ2-CD 3.78Å; W274-K424 HydrophobicContact CZ3-CB 3.5Å; W274-V425 HydrophobicContact CH2-CG2 4.32Å; W274-V425 HydrophobicContact CZ3-CG2 3.77Å; W274-F428 HydrophobicContact CB-CD2 4.22Å
275V89.8Confident90.4Very high41 Ų4134.1 Ų34.125%0.24816%0.164CC..G310 helixtrans-80.3-12.3176.9-48.60000112.5D229 G233 S234 I272 P273 D277D229-V275 HydrophobicContact CB-CG2 3.65Å; G233-V275 CarbonylContact C-O 3.6Å; S234-V275 PolarHBondContact N-O 3.08Å; S234-V275 PolarHBondContact OG-O 3.28Å; I272-V275 HydrophobicContact CB-CG1 4.48Å; I272-V275 HydrophobicContact CD1-CB 4.5Å; I272-V275 HydrophobicContact CD1-CG1 4.04Å; I272-V275 HydrophobicContact CD1-CG2 3.63Å; I272-V275 HydrophobicContact CG1-CG2 3.84Å; I272-V275 WeakPolarHBondContact O-CG2 3.4Å; I272-V275 PolarHBondContact O-N 3.16Å; P273-V275 VanDerWaalsContact C-N 3.27Å; P273-V275 PolarHBondContact O-N 3.35Å; V275-D277 PolarHBondContact O-N 3.18Å
276L88.4Confident90.4Very high0 Ų034.7 Ų34.70%017%0.166CC..BIsolated β-bridgetrans-67.1131-178.1-73.7173.5000111.9L163 V228 D229 C232 T270 P273 W274 R281L163-L276 HydrophobicContact CD1-CD1 4.26Å; L163-L276 HydrophobicContact CD2-CD1 3.64Å; V228-L276 HydrophobicContact CG2-CD1 4.25Å; V228-L276 HydrophobicContact CG2-CD2 4.01Å; D229-L276 HydrophobicContact CB-CD2 4.36Å; C232-L276 HydrophobicContact CB-CD2 3.58Å; T270-L276 HydrophobicContact CG2-CD1 4Å; P273-L276 WeakPolarHBondContact O-CB 3.49Å; P273-L276 PolarHBondContact O-N 3.02Å; W274-L276 VanDerWaalsContact C-N 3.28Å; L276-R281 PolarHBondContact O-NH2 2.86Å
277D85.8Confident90.3Very high20 Ų2036 Ų3611%0.10717%0.17CC..  trans-57140.6174-173.3108.7000112.5C232 R235 K247 V275 A279 I280 R281C232-D277 PolarHBondContact O-N 3.38Å; R235-D277 IonicContact NE-OD1 3.4Å; K247-D277 VanDerWaalsContact CE-CB 3.41Å; K247-D277 VanDerWaalsContact CE-CG 3.47Å; K247-D277 WeakPolarHBondContact CE-OD1 3.4Å; K247-D277 IonicContact NZ-OD1 3.46Å; K247-D277 PolarHBondContact NZ-OD1 3.07Å; V275-D277 PolarHBondContact O-N 3.18Å; D277-A279 PolarHBondContact O-N 2.98Å; D277-A279 WeakPolarHBondContact OD2-CB 3.27Å; D277-A279 PolarHBondContact OD2-N 3.15Å; D277-I280 PolarHBondContact O-N 3Å; D277-R281 WeakPolarHBondContact O-CB 3.27Å; D277-R281 PolarHBondContact O-N 3.41Å
278A85.9Confident90.2Very high46 Ų4636.2 Ų36.238%0.3817%0.171SC..Hα-helixtrans-59.8-31.1-177.400000113.5R282A278-R282 WeakPolarHBondContact O-CB 3.45Å; A278-R282 VanDerWaalsContact O-CG 3.25Å; A278-R282 WeakPolarHBondContact O-CG 3.44Å; A278-R282 PolarHBondContact O-N 2.81Å; A278-R282 VanDerWaalsContact O-N 3.08Å
279A86.5Confident90.1Very high32 Ų3239.8 Ų39.826%0.26419%0.185SC..Hα-helixtrans-67.8-44.1177.600000111.6L251 D277 R282 R283L251-A279 HydrophobicContact CD1-CB 4.01Å; L251-A279 HydrophobicContact CD2-CB 4.44Å; D277-A279 PolarHBondContact O-N 2.98Å; D277-A279 WeakPolarHBondContact OD2-CB 3.27Å; D277-A279 PolarHBondContact OD2-N 3.15Å; A279-R282 PolarHBondContact O-N 3.16Å; A279-R283 PolarHBondContact O-N 3.09Å
280I86.8Confident90Very high0 Ų039.8 Ų39.80%019%0.185CC..Hα-helixtrans-67.8-44.4176.4-65.4-78.1000110C232 K247 F250 L251 D277 R282 R283 F284C232-I280 HydrophobicContact CB-CB 4.14Å; C232-I280 HydrophobicContact CB-CD1 4.37Å; C232-I280 HydrophobicContact CB-CG1 3.83Å; C232-I280 HydrophobicContact CB-CG2 3.88Å; K247-I280 HydrophobicContact CG-CD1 4.37Å; K247-I280 HydrophobicContact CG-CG1 4.38Å; F250-I280 HydrophobicContact CD1-CD1 3.77Å; F250-I280 HydrophobicContact CE1-CD1 4.17Å; L251-I280 HydrophobicContact CD1-CD1 4.26Å; L251-I280 HydrophobicContact CD2-CD1 3.41Å; L251-I280 VanDerWaalsContact CD2-CD1 3.41Å; L251-I280 HydrophobicContact CD2-CG1 4Å; L251-I280 HydrophobicContact CG-CD1 3.6Å; L251-I280 HydrophobicContact CG-CG1 4.33Å; D277-I280 PolarHBondContact O-N 3Å; I280-R282 PolarHBondContact O-N 3.04Å; I280-R282 VanDerWaalsContact O-N 3.16Å; I280-R283 PolarHBondContact O-N 2.86Å; I280-F284 HydrophobicContact CG2-CD2 3.78Å; I280-F284 HydrophobicContact CG2-CE2 3.59Å; I280-F284 WeakPolarHBondContact O-CD2 3.46Å; I280-F284 PolarHBondContact O-N 3.38Å; I280-F284 VanDerWaalsContact O-N 3.12Å
281R88.3Confident89.9Confident32 Ų3242.1 Ų42.112%0.12120%0.2CC..Hα-helixtrans-56.9-33177.2-153.4-170.4-54.91703.1112.3L276 D277 F284 R287 F432L276-R281 PolarHBondContact O-NH2 2.86Å; D277-R281 WeakPolarHBondContact O-CB 3.27Å; D277-R281 PolarHBondContact O-N 3.41Å; R281-F284 VanDerWaalsContact O-O 3.05Å; R281-R287 PolarHBondContact O-NE 3.21Å; R281-R287 PolarHBondContact O-NH2 2.91Å; R281-F432 VanDerWaalsContact NH1-CE2 3.31Å
282R86.8Confident89.9Confident175 Ų17541.3 Ų41.366%0.6620%0.196SC*.Hα-helixtrans-74.8-23174.3-76.4172.4179133.1-2.8114.1A278 A279 I280A278-R282 WeakPolarHBondContact O-CB 3.45Å; A278-R282 VanDerWaalsContact O-CG 3.25Å; A278-R282 WeakPolarHBondContact O-CG 3.44Å; A278-R282 PolarHBondContact O-N 2.81Å; A278-R282 VanDerWaalsContact O-N 3.08Å; A279-R282 PolarHBondContact O-N 3.16Å; I280-R282 PolarHBondContact O-N 3.04Å; I280-R282 VanDerWaalsContact O-N 3.16Å
283R89.9Confident90Very high82 Ų8239 Ų3931%0.30919%0.185SC..Hα-helixtrans-83.6-25.6176.1-66.1-68.6172-91.1-4.4112.6L251 M254 A279 I280 E285L251-R283 HydrophobicContact CD2-CG 3.62Å; M254-R283 HydrophobicContact CE-CB 3.64Å; M254-R283 HydrophobicContact SD-CB 3.82Å; M254-R283 HydrophobicContact SD-CG 4.43Å; A279-R283 PolarHBondContact O-N 3.09Å; I280-R283 PolarHBondContact O-N 2.86Å; R283-E285 VanDerWaalsContact C-N 3.31Å; R283-E285 PolarHBondContact O-N 3.29Å; R283-E285 VanDerWaalsContact O-N 3.16Å
284F91.5Very high90.1Very high0 Ų046.1 Ų46.10%022%0.218CC..  trans-81.785.5163.2-68.4-66.6000109.5I162 L163 V228 M254 V266 I280 R281 R287I162-F284 WeakPolarHBondContact O-CD1 3.38Å; L163-F284 HydrophobicContact CB-CB 3.65Å; L163-F284 HydrophobicContact CB-CD1 3.97Å; L163-F284 HydrophobicContact CB-CD2 4.32Å; L163-F284 HydrophobicContact CB-CG 3.73Å; L163-F284 HydrophobicContact CD1-CD2 4.32Å; L163-F284 HydrophobicContact CD1-CE2 4.42Å; L163-F284 HydrophobicContact CD1-CG 4.48Å; V228-F284 HydrophobicContact CG1-CZ 4.42Å; M254-F284 HydrophobicContact CE-CD1 4.36Å; M254-F284 HydrophobicContact CE-CE1 4.1Å; M254-F284 HydrophobicContact CE-CZ 4.22Å; V266-F284 HydrophobicContact CG1-CE1 4.11Å; V266-F284 HydrophobicContact CG1-CZ 4.42Å; I280-F284 HydrophobicContact CG2-CD2 3.78Å; I280-F284 HydrophobicContact CG2-CE2 3.59Å; I280-F284 WeakPolarHBondContact O-CD2 3.46Å; I280-F284 PolarHBondContact O-N 3.38Å; I280-F284 VanDerWaalsContact O-N 3.12Å; R281-F284 VanDerWaalsContact O-O 3.05Å; F284-R287 PolarHBondContact O-NE 3.44Å
285E88.4Confident90.4Very high76 Ų7645.7 Ų45.736%0.35522%0.219SC..  trans-61.5-53.1-175.6-64.1164.8157.300110.2W159 R160 G161 R283 M434W159-E285 HydrophobicContact CD2-CB 4.4Å; W159-E285 HydrophobicContact CE3-CB 3.42Å; W159-E285 VanDerWaalsContact CE3-CB 3.42Å; W159-E285 HydrophobicContact CE3-CG 4.22Å; W159-E285 HydrophobicContact CZ3-CB 3.76Å; W159-E285 HydrophobicContact CZ3-CG 4.49Å; R160-E285 PolarHBondContact N-OE2 3.49Å; G161-E285 PolarHBondContact O-N 3.4Å; R283-E285 VanDerWaalsContact C-N 3.31Å; R283-E285 PolarHBondContact O-N 3.29Å; R283-E285 VanDerWaalsContact O-N 3.16Å; E285-M434 WeakPolarHBondContact O-CE 3.42Å
286K90.6Very high90.6Very high26 Ų2648.2 Ų48.211%0.11324%0.237CC..EExtended strand (participates in β ladder)trans-95.3135.1174.2-173.270170.9178.10109.9W159 G161 I162 L163 I288 E435W159-K286 HydrophobicContact CD2-CB 4.47Å; W159-K286 HydrophobicContact CG-CB 4.31Å; G161-K286 PolarHBondContact O-N 3.49Å; I162-K286 CarbonylContact C-O 3Å; I162-K286 VanDerWaalsContact CA-O 3.31Å; I162-K286 WeakPolarHBondContact CA-O 3.36Å; I162-K286 HydrophobicContact CG1-CB 4.25Å; L163-K286 PolarHBondContact N-O 3.24Å; K286-I288 HydrophobicContact CG-CD1 4.42Å; K286-I288 HydrophobicContact CG-CG1 4.07Å; K286-E435 PolarHBondContact NZ-O 2.81Å
287R92.5Very high90.9Very high35 Ų3548.7 Ų48.713%0.13224%0.241CC..EExtended strand (participates in β ladder)trans-125.5120.7178.6-56.6172.4-164.3146.85.1107.8L163 F165 R281 F284 F432L163-R287 HydrophobicContact CB-CG 4.33Å; L163-R287 CarbonylContact O-C 3.17Å; L163-R287 WeakPolarHBondContact O-CA 3.38Å; F165-R287 HydrophobicContact CD1-CB 4.31Å; F165-R287 HydrophobicContact CE1-CB 3.98Å; R281-R287 PolarHBondContact O-NE 3.21Å; R281-R287 PolarHBondContact O-NH2 2.91Å; F284-R287 PolarHBondContact O-NE 3.44Å; R287-F432 WeakPolarHBondContact CD-O 3.49Å; R287-F432 PolarHBondContact NH1-O 2.8Å
288I92.3Very high91.3Very high3 Ų348.3 Ų48.32%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-114.3119.9-174.3-56.5176.3000107.8A134 A137 L138 I162 L163 L164 F165 K286 I290A134-I288 HydrophobicContact CB-CG2 3.68Å; A137-I288 HydrophobicContact CB-CD1 3.84Å; A137-I288 HydrophobicContact CB-CG1 4.34Å; L138-I288 HydrophobicContact CD2-CD1 3.89Å; L138-I288 HydrophobicContact CG-CD1 3.81Å; I162-I288 HydrophobicContact CG2-CD1 3.78Å; I162-I288 HydrophobicContact CG2-CG1 4.2Å; L163-I288 PolarHBondContact O-N 3.38Å; L164-I288 HydrophobicContact CD2-CB 3.99Å; L164-I288 HydrophobicContact CD2-CD1 4.26Å; L164-I288 HydrophobicContact CD2-CG2 4.49Å; F165-I288 WeakPolarHBondContact CD1-O 3.45Å; F165-I288 PolarHBondContact N-O 3.16Å; K286-I288 HydrophobicContact CG-CD1 4.42Å; K286-I288 HydrophobicContact CG-CG1 4.07Å; I288-I290 HydrophobicContact CG2-CD1 3.93Å
289Y92.5Very high91.8Very high75 Ų7546.8 Ų46.829%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-77.3128.8174.2176.2-131.8000110.2F165 P291 V425 T429F165-Y289 HydrophobicContact CD2-CD2 4.05Å; F165-Y289 AromaticContact CE2-CD2 3.68Å; F165-Y289 HydrophobicContact CE2-CD2 3.68Å; F165-Y289 HydrophobicContact CE2-CG 4.16Å; F165-Y289 HydrophobicContact CZ-CD2 4.23Å; F165-Y289 HydrophobicContact CZ-CG 4.28Å; F165-Y289 CarbonylContact O-C 3.46Å; F165-Y289 WeakPolarHBondContact O-CA 3.38Å; Y289-P291 HydrophobicContact CD1-CB 4.36Å; Y289-P291 HydrophobicContact CE1-CB 3.68Å; Y289-P291 WeakPolarHBondContact O-CD 3.32Å; Y289-V425 HydrophobicContact CD2-CG1 3.88Å; Y289-V425 HydrophobicContact CE2-CG1 3.28Å; Y289-T429 HydrophobicContact CG-CG2 4.49Å
290I93.6Very high92.2Very high0 Ų048.7 Ų48.70%023%0.229CC..  trans-107.799.8174.9-52.6-55.2000108.2L131 A134 L164 F165 P167 K172 L175 I288L131-I290 HydrophobicContact CD1-CG2 3.87Å; L131-I290 HydrophobicContact CD2-CG2 3.86Å; A134-I290 HydrophobicContact CB-CD1 3.58Å; L164-I290 HydrophobicContact CB-CG1 4.36Å; L164-I290 HydrophobicContact CD2-CD1 4.47Å; F165-I290 PolarHBondContact O-N 3.35Å; P167-I290 WeakPolarHBondContact CD-O 3.11Å; K172-I290 HydrophobicContact CG-CB 4.14Å; K172-I290 HydrophobicContact CG-CG1 3.96Å; K172-I290 HydrophobicContact CG-CG2 4.36Å; L175-I290 HydrophobicContact CD2-CD1 3.67Å; I288-I290 HydrophobicContact CG2-CD1 3.93Å
291P92.5Very high92.5Very high50 Ų5049.9 Ų49.933%0.32523%0.234SC..PPolyproline II helixtrans-74.3172.6-177.530.8-36.7000112.9L131 T170 Y289L131-P291 HydrophobicContact CD2-CG 4.06Å; T170-P291 WeakPolarHBondContact CG2-O 3.22Å; Y289-P291 HydrophobicContact CD1-CB 4.36Å; Y289-P291 HydrophobicContact CE1-CB 3.68Å; Y289-P291 WeakPolarHBondContact O-CD 3.32Å
292L93.6Very high92.9Very high30 Ų3048.4 Ų48.416%0.15723%0.229CC..PPolyproline II helixtrans-63.7147.7162.2-72.7174.3000110.1P167 T170 V417 L422P167-L292 HydrophobicContact CB-CD2 4.38Å; P167-L292 HydrophobicContact CG-CG 4.38Å; T170-L292 HydrophobicContact CG2-CD2 4.01Å; L292-V417 HydrophobicContact CD1-CG1 4.34Å; L292-V417 HydrophobicContact CD2-CB 4.49Å; L292-V417 HydrophobicContact CD2-CG2 4.16Å; L292-L422 HydrophobicContact CD1-CD1 3.98Å; L292-L422 HydrophobicContact CD1-CD2 3.88Å; L292-L422 HydrophobicContact CG-CD2 4.34Å
293P93.9Very high93.3Very high13 Ų1345.9 Ų45.98%0.08422%0.219CC..PPolyproline II helixtrans-69.2136.8-178.128.3-34.9000112.2A297 R298 M301 Y328P293-A297 HydrophobicContact CB-CB 3.99Å; P293-R298 HydrophobicContact CB-CG 3.82Å; P293-R298 HydrophobicContact CG-CG 3.73Å; P293-R298 PolarHBondContact O-NH1 3.34Å; P293-M301 HydrophobicContact CB-CE 3.69Å; P293-M301 HydrophobicContact CB-SD 4.06Å; P293-M301 HydrophobicContact CG-CE 4.14Å; P293-M301 HydrophobicContact CG-SD 4.08Å; P293-Y328 WeakPolarHBondContact CD-O 3.32Å; P293-Y328 WeakPolarHBondContact CG-O 3.45Å
294E93.4Very high93.4Very high149 Ų14945.4 Ų45.470%0.69622%0.222SC*.PPolyproline II helixtrans-73.5166.4170.9-62-176.6178.400112.2A297 R298E294-A297 WeakPolarHBondContact O-CB 3.48Å; E294-A297 PolarHBondContact O-N 3.4Å; E294-R298 WeakPolarHBondContact O-CG 3.45Å; E294-R298 PolarHBondContact O-N 3.27Å
295E94.9Very high93.4Very high74 Ų7449 Ų4935%0.34624%0.239SC..Hα-helixtrans-49.6-47.7-178.1-177.8179161.100113.7A297 R298 A299 A322 R323E295-A297 VanDerWaalsContact C-N 3.33Å; E295-A297 PolarHBondContact O-N 3.48Å; E295-R298 PolarHBondContact O-N 3.1Å; E295-A299 PolarHBondContact O-N 3.03Å; E295-A322 HydrophobicContact CG-CB 3.99Å; E295-A322 WeakPolarHBondContact O-CB 3.4Å; E295-R323 IonicContact OE1-NE 3.31Å
296P94.1Very high93.7Very high95 Ų9545.5 Ų45.562%0.61722%0.223SC*.Hα-helixtrans-63-39.1178.4-21.233.8000112.9A299 Q300P296-A299 PolarHBondContact O-N 3.24Å; P296-Q300 PolarHBondContact O-N 3.14Å; P296-Q300 VanDerWaalsContact O-N 3.11Å
297A94.3Very high93.7Very high9 Ų946.3 Ų46.37%0.07424%0.239CC..Hα-helixtrans-67-41.2177.700000111.1P293 E294 E295 A299 Q300 M301P293-A297 HydrophobicContact CB-CB 3.99Å; E294-A297 WeakPolarHBondContact O-CB 3.48Å; E294-A297 PolarHBondContact O-N 3.4Å; E295-A297 VanDerWaalsContact C-N 3.33Å; E295-A297 PolarHBondContact O-N 3.48Å; A297-A299 PolarHBondContact O-N 3.34Å; A297-Q300 PolarHBondContact O-N 3.13Å; A297-M301 VanDerWaalsContact O-CG 3.28Å; A297-M301 WeakPolarHBondContact O-CG 3.26Å; A297-M301 PolarHBondContact O-N 2.97Å
298R95.9Very high93.6Very high12 Ų1252.9 Ų52.95%0.04528%0.276CS..Hα-helixtrans-62.1-41.5175.7-65.3-168.9-60-108.211.7112P293 E294 E295 Q300 M301 F302 A322 T325 D326 I333P293-R298 HydrophobicContact CB-CG 3.82Å; P293-R298 HydrophobicContact CG-CG 3.73Å; P293-R298 PolarHBondContact O-NH1 3.34Å; E294-R298 WeakPolarHBondContact O-CG 3.45Å; E294-R298 PolarHBondContact O-N 3.27Å; E295-R298 PolarHBondContact O-N 3.1Å; R298-Q300 VanDerWaalsContact C-N 3.33Å; R298-Q300 PolarHBondContact O-N 3.43Å; R298-M301 WeakPolarHBondContact O-CB 3.25Å; R298-M301 PolarHBondContact O-N 2.72Å; R298-F302 WeakPolarHBondContact O-CD2 3.05Å; R298-F302 PolarHBondContact O-N 3.3Å; R298-A322 HydrophobicContact CB-CB 3.94Å; R298-A322 PolarHBondContact NE-O 3.42Å; R298-A322 PolarHBondContact NH2-O 3.25Å; R298-T325 WeakPolarHBondContact CD-O 3.21Å; R298-T325 PolarHBondContact NE-O 3.19Å; R298-D326 IonicContact CZ-OD1 3.4Å; R298-D326 IonicContact NH1-OD1 3.7Å; R298-D326 PolarHBondContact NH1-OD1 3.47Å; R298-D326 IonicContact NH2-OD1 3.24Å; R298-D326 PolarHBondContact NH2-OD1 2.89Å; R298-I333 HydrophobicContact CB-CD1 3.78Å; R298-I333 HydrophobicContact CG-CD1 3.62Å
299A95.8Very high93.6Very high14 Ų1455.7 Ų55.712%0.11629%0.294CS..Hα-helixtrans-62.3-41.7176.200000111.6E295 P296 A297 F302 R303 R319 A322E295-A299 PolarHBondContact O-N 3.03Å; P296-A299 PolarHBondContact O-N 3.24Å; A297-A299 PolarHBondContact O-N 3.34Å; A299-F302 PolarHBondContact O-N 2.86Å; A299-R303 PolarHBondContact O-N 3.16Å; A299-R319 HydrophobicContact CB-CG 4.46Å; A299-A322 HydrophobicContact CB-CB 3.73Å
300Q94.3Very high93.4Very high73 Ų7356.2 Ų56.234%0.34131%0.307SS..Hα-helixtrans-64.2-41.2174.1-172.9-176.78.300111.8A129 P296 A297 R298 F302 R303 L304A129-Q300 HydrophobicContact CB-CB 4Å; A129-Q300 HydrophobicContact CB-CG 3.88Å; P296-Q300 PolarHBondContact O-N 3.14Å; P296-Q300 VanDerWaalsContact O-N 3.11Å; A297-Q300 PolarHBondContact O-N 3.13Å; R298-Q300 VanDerWaalsContact C-N 3.33Å; R298-Q300 PolarHBondContact O-N 3.43Å; Q300-F302 PolarHBondContact O-N 2.72Å; Q300-R303 WeakPolarHBondContact O-CB 3.5Å; Q300-R303 PolarHBondContact O-N 3.43Å; Q300-L304 HydrophobicContact CG-CD1 4.1Å; Q300-L304 HydrophobicContact CG-CG 4.37Å; Q300-L304 WeakPolarHBondContact O-CG 3.27Å; Q300-L304 PolarHBondContact O-N 3.44Å
301M94.7Very high93.4Very high24 Ų2459.4 Ų59.412%0.11832%0.321CS..Hα-helixtrans-60.4-42.9176.1-71175.7-175.700112.1A129 P293 A297 R298 R303 L304 H305 I333A129-M301 HydrophobicContact CB-CE 4.05Å; A129-M301 HydrophobicContact CB-CG 3.6Å; P293-M301 HydrophobicContact CB-CE 3.69Å; P293-M301 HydrophobicContact CB-SD 4.06Å; P293-M301 HydrophobicContact CG-CE 4.14Å; P293-M301 HydrophobicContact CG-SD 4.08Å; A297-M301 VanDerWaalsContact O-CG 3.28Å; A297-M301 WeakPolarHBondContact O-CG 3.26Å; A297-M301 PolarHBondContact O-N 2.97Å; R298-M301 WeakPolarHBondContact O-CB 3.25Å; R298-M301 PolarHBondContact O-N 2.72Å; M301-R303 VanDerWaalsContact C-N 3.33Å; M301-R303 PolarHBondContact O-N 2.91Å; M301-L304 PolarHBondContact O-N 3.02Å; M301-H305 WeakPolarHBondContact O-CB 3.28Å; M301-H305 PolarHBondContact O-CD2 2.78Å; M301-H305 PolarHBondContact O-N 3.07Å; M301-I333 HydrophobicContact CB-CD1 4.39Å; M301-I333 HydrophobicContact CB-CG2 4.07Å; M301-I333 HydrophobicContact SD-CD1 4.05Å
302F95.8Very high93.5Very high1 Ų160.2 Ų60.20%0.00433%0.328CS..Hα-helixtrans-57.7-46.6174-81.4-68.9000111.7R298 A299 Q300 H305 L306 L318 L321 T325 I333 I336 V337 M406R298-F302 WeakPolarHBondContact O-CD2 3.05Å; R298-F302 PolarHBondContact O-N 3.3Å; A299-F302 PolarHBondContact O-N 2.86Å; Q300-F302 PolarHBondContact O-N 2.72Å; F302-H305 PolarHBondContact O-N 3.32Å; F302-L306 WeakPolarHBondContact O-CD1 3.46Å; F302-L306 VanDerWaalsContact O-CG 3.27Å; F302-L306 WeakPolarHBondContact O-CG 3.28Å; F302-L306 PolarHBondContact O-N 3.05Å; F302-L318 HydrophobicContact CB-CD2 4.06Å; F302-L321 HydrophobicContact CD1-CD1 4.33Å; F302-L321 HydrophobicContact CD2-CB 4.01Å; F302-L321 HydrophobicContact CE1-CB 4.42Å; F302-L321 HydrophobicContact CE1-CD1 4.41Å; F302-L321 HydrophobicContact CE2-CB 3.7Å; F302-L321 HydrophobicContact CZ-CB 3.93Å; F302-T325 HydrophobicContact CE2-CG2 4.11Å; F302-T325 HydrophobicContact CZ-CG2 3.77Å; F302-I333 HydrophobicContact CD1-CG2 3.9Å; F302-I333 HydrophobicContact CD2-CG2 4.24Å; F302-I333 HydrophobicContact CE1-CG2 3.85Å; F302-I333 HydrophobicContact CE2-CG2 4.2Å; F302-I333 HydrophobicContact CG-CG2 4.09Å; F302-I333 HydrophobicContact CZ-CG1 4.41Å; F302-I333 HydrophobicContact CZ-CG2 4Å; F302-I336 HydrophobicContact CE1-CG2 4.14Å; F302-V337 HydrophobicContact CD1-CG2 3.48Å; F302-V337 VanDerWaalsContact CD1-CG2 3.48Å; F302-V337 HydrophobicContact CE1-CG2 3.91Å; F302-M406 HydrophobicContact CD1-CE 3.45Å; F302-M406 VanDerWaalsContact CD1-CE 3.45Å; F302-M406 HydrophobicContact CE1-CE 3.49Å; F302-M406 VanDerWaalsContact CE1-CE 3.49Å
303R94.1Very high93.6Very high122 Ų12259.4 Ų59.446%0.4632%0.324SS..Hα-helixtrans-60.3-47.6176.5-178.6176-80.9148.8-13.1112A299 Q300 M301 H305 L306 G307 D315 L318A299-R303 PolarHBondContact O-N 3.16Å; Q300-R303 WeakPolarHBondContact O-CB 3.5Å; Q300-R303 PolarHBondContact O-N 3.43Å; M301-R303 VanDerWaalsContact C-N 3.33Å; M301-R303 PolarHBondContact O-N 2.91Å; R303-H305 VanDerWaalsContact C-N 3.35Å; R303-H305 PolarHBondContact O-N 3.45Å; R303-L306 PolarHBondContact O-N 3.33Å; R303-G307 PolarHBondContact O-N 3.1Å; R303-D315 IonicContact CZ-OD1 3.68Å; R303-D315 IonicContact CZ-OD2 3.29Å; R303-D315 IonicContact NH2-OD1 3.2Å; R303-D315 PolarHBondContact NH2-OD1 3.37Å; R303-D315 IonicContact NH2-OD2 3.81Å; R303-D315 PolarHBondContact NH2-OD2 3.28Å; R303-L318 HydrophobicContact CB-CD1 3.96Å
304L92Very high93.7Very high72 Ų7261.3 Ų61.338%0.37734%0.337SS..Hα-helixtrans-61.3-43-179.4-72.9171.4000111.8A129 Q300 M301 G307A129-L304 HydrophobicContact CB-CD1 4.02Å; Q300-L304 HydrophobicContact CG-CD1 4.1Å; Q300-L304 HydrophobicContact CG-CG 4.37Å; Q300-L304 WeakPolarHBondContact O-CG 3.27Å; Q300-L304 PolarHBondContact O-N 3.44Å; M301-L304 PolarHBondContact O-N 3.02Å; L304-G307 PolarHBondContact O-N 3.2Å
305H93.4Very high93.7Very high77 Ų7758.6 Ų58.636%0.35633%0.328SS..Hα-helixtrans-75.4-26.2-178.8-73.2-54000114M301 F302 R303 G307 V337M301-H305 WeakPolarHBondContact O-CB 3.28Å; M301-H305 PolarHBondContact O-CD2 2.78Å; M301-H305 PolarHBondContact O-N 3.07Å; F302-H305 PolarHBondContact O-N 3.32Å; R303-H305 VanDerWaalsContact C-N 3.35Å; R303-H305 PolarHBondContact O-N 3.45Å; H305-G307 VanDerWaalsContact C-N 3.3Å; H305-V337 HydrophobicContact CB-CB 3.91Å; H305-V337 HydrophobicContact CB-CG1 3.74Å; H305-V337 HydrophobicContact CB-CG2 3.94Å
306L93.6Very high93.8Very high2 Ų257.6 Ų57.61%0.0133%0.332CS..Hα-helixtrans-68.3-33.8170-74.2164.7000111.4F302 R303 N308 T309 L313 L318 V337 L341F302-L306 WeakPolarHBondContact O-CD1 3.46Å; F302-L306 VanDerWaalsContact O-CG 3.27Å; F302-L306 WeakPolarHBondContact O-CG 3.28Å; F302-L306 PolarHBondContact O-N 3.05Å; R303-L306 PolarHBondContact O-N 3.33Å; L306-N308 PolarHBondContact O-N 3.02Å; L306-T309 WeakPolarHBondContact O-CB 3.42Å; L306-T309 PolarHBondContact O-N 2.91Å; L306-T309 VanDerWaalsContact O-N 3.15Å; L306-T309 PolarHBondContact O-OG1 3.37Å; L306-L313 HydrophobicContact CD1-CD1 3.7Å; L306-L313 HydrophobicContact CD2-CD1 4.25Å; L306-L318 HydrophobicContact CD1-CD2 3.74Å; L306-V337 HydrophobicContact CD2-CG1 4.1Å; L306-V337 HydrophobicContact CG-CG1 4.21Å; L306-L341 HydrophobicContact CD2-CD2 4.28Å
307G91Very high93.9Very high43 Ų4355 Ų5544%0.44331%0.313SS..THydrogen-bonded Turntrans58-131.9177.500000111.7R303 L304 H305 T309R303-G307 PolarHBondContact O-N 3.1Å; L304-G307 PolarHBondContact O-N 3.2Å; H305-G307 VanDerWaalsContact C-N 3.3Å; G307-T309 VanDerWaalsContact C-N 3.35Å
308N89.6Confident94Very high172 Ų17254.9 Ų54.992%0.9231%0.311SS*.THydrogen-bonded Turntrans-94.310.3178.8-62.6-26000113L306L306-N308 PolarHBondContact O-N 3.02Å
309T91.8Very high94Very high63 Ų6361.2 Ų61.239%0.38734%0.335SS..  trans-69.5128.9-178-480000109.7L306 G307 H311 L341L306-T309 WeakPolarHBondContact O-CB 3.42Å; L306-T309 PolarHBondContact O-N 2.91Å; L306-T309 VanDerWaalsContact O-N 3.15Å; L306-T309 PolarHBondContact O-OG1 3.37Å; G307-T309 VanDerWaalsContact C-N 3.35Å; T309-H311 PolarHBondContact O-CD2 3.45Å; T309-H311 PolarHBondContact O-N 3.4Å; T309-L341 HydrophobicContact CG2-CD2 3.79Å
310P89.1Confident94.1Very high86 Ų8664.3 Ų64.356%0.55835%0.347SS*.  trans-57.5123.9177.1-25.735.1000112.1I400P310-I400 HydrophobicContact CB-CG2 4Å
311H94.2Very high94.2Very high66 Ų6660.9 Ų60.931%0.30633%0.331SS..BIsolated β-bridgetrans-144157.4179.462.970.3000111.2T309 L313 V401T309-H311 PolarHBondContact O-CD2 3.45Å; T309-H311 PolarHBondContact O-N 3.4Å; H311-L313 HydrophobicContact CB-CG 4.49Å; H311-L313 PolarHBondContact CE1-O 3.02Å; H311-L313 PolarHBondContact ND1-N 3.44Å; H311-L313 PolarHBondContact ND1-O 3.19Å; H311-V401 WeakPolarHBondContact CA-O 3.45Å; H311-V401 HydrophobicContact CB-CB 4.3Å; H311-V401 WeakPolarHBondContact CB-O 3.4Å
312S94.6Very high94.3Very high67 Ų6759.7 Ų59.747%0.46933%0.325SS..  trans-922.7177.376.90000113.8V401 C402S312-V401 PolarHBondContact N-O 3.27Å; S312-C402 WeakPolarHBondContact OG-CA 3.44Å; S312-C402 WeakPolarHBondContact OG-CB 3.49Å
313L95.1Very high94.3Very high13 Ų1367.6 Ų67.67%0.06836%0.355CS..  trans-73.7130.6-174.3-57171.1000111.9L306 H311 D317 L318 M403 M406L306-L313 HydrophobicContact CD1-CD1 3.7Å; L306-L313 HydrophobicContact CD2-CD1 4.25Å; H311-L313 HydrophobicContact CB-CG 4.49Å; H311-L313 PolarHBondContact CE1-O 3.02Å; H311-L313 PolarHBondContact ND1-N 3.44Å; H311-L313 PolarHBondContact ND1-O 3.19Å; L313-D317 HydrophobicContact CB-CB 4.44Å; L313-D317 HydrophobicContact CD2-CB 4.2Å; L313-L318 HydrophobicContact CB-CD2 4.25Å; L313-L318 HydrophobicContact CD1-CD2 4.17Å; L313-M403 HydrophobicContact CD2-CB 3.83Å; L313-M403 HydrophobicContact CD2-SD 4.14Å; L313-M406 HydrophobicContact CD1-CG 3.79Å; L313-M406 HydrophobicContact CD1-SD 4.3Å; L313-M406 HydrophobicContact CD2-CG 4.28Å
314S95.6Very high94.4Very high53 Ų5366.8 Ų66.837%0.37136%0.355SS..  trans-90.7166.8172.372.20000112.2A316 D317 L318S314-A316 PolarHBondContact O-N 2.89Å; S314-A316 PolarHBondContact OG-N 3.47Å; S314-D317 WeakPolarHBondContact CB-OD2 3.37Å; S314-D317 PolarHBondContact N-OD2 3.46Å; S314-D317 WeakPolarHBondContact O-CB 3.45Å; S314-D317 PolarHBondContact O-N 3.44Å; S314-D317 PolarHBondContact OG-N 3.24Å; S314-D317 PolarHBondContact OG-OD2 2.93Å; S314-L318 PolarHBondContact O-N 3.48Å; S314-L318 VanDerWaalsContact O-N 3.08Å
315D94.4Very high94.6Very high93 Ų9363.4 Ų63.450%0.49734%0.337SS..Hα-helixtrans-60.6-24.3173.8-75.419.5000113.7R303 R319R303-D315 IonicContact CZ-OD1 3.68Å; R303-D315 IonicContact CZ-OD2 3.29Å; R303-D315 IonicContact NH2-OD1 3.2Å; R303-D315 PolarHBondContact NH2-OD1 3.37Å; R303-D315 IonicContact NH2-OD2 3.81Å; R303-D315 PolarHBondContact NH2-OD2 3.28Å; D315-R319 WeakPolarHBondContact O-CG 3.46Å; D315-R319 PolarHBondContact O-N 3Å; D315-R319 PolarHBondContact O-NE 3.47Å
316A96.1Very high94.7Very high53 Ų5365.5 Ų65.544%0.43835%0.351SS..Hα-helixtrans-73.5-41.1172.900000110.9S314 L318 R319 E320S314-A316 PolarHBondContact O-N 2.89Å; S314-A316 PolarHBondContact OG-N 3.47Å; A316-L318 PolarHBondContact O-N 2.96Å; A316-R319 PolarHBondContact O-N 3.49Å; A316-E320 PolarHBondContact O-N 3.26Å
317D96.4Very high94.6Very high40 Ų4066.6 Ų66.621%0.21436%0.363CS..Hα-helixtrans-63.9-42178-56.7-46.9000111.3L313 S314 R319 E320 L321 M403L313-D317 HydrophobicContact CB-CB 4.44Å; L313-D317 HydrophobicContact CD2-CB 4.2Å; S314-D317 WeakPolarHBondContact CB-OD2 3.37Å; S314-D317 PolarHBondContact N-OD2 3.46Å; S314-D317 WeakPolarHBondContact O-CB 3.45Å; S314-D317 PolarHBondContact O-N 3.44Å; S314-D317 PolarHBondContact OG-N 3.24Å; S314-D317 PolarHBondContact OG-OD2 2.93Å; D317-R319 VanDerWaalsContact C-N 3.29Å; D317-R319 PolarHBondContact O-N 3.26Å; D317-E320 PolarHBondContact O-N 3.04Å; D317-E320 VanDerWaalsContact O-N 3.16Å; D317-L321 WeakPolarHBondContact O-CG 3.48Å; D317-L321 PolarHBondContact O-N 2.73Å; D317-M403 HydrophobicContact CB-SD 4.18Å
318L96.4Very high94.8Very high7 Ų765.5 Ų65.54%0.03735%0.346CS..Hα-helixtrans-62.8-36.7177-60.2-176000112.2F302 R303 L306 L313 S314 A316 L321 A322F302-L318 HydrophobicContact CB-CD2 4.06Å; R303-L318 HydrophobicContact CB-CD1 3.96Å; L306-L318 HydrophobicContact CD1-CD2 3.74Å; L313-L318 HydrophobicContact CB-CD2 4.25Å; L313-L318 HydrophobicContact CD1-CD2 4.17Å; S314-L318 PolarHBondContact O-N 3.48Å; S314-L318 VanDerWaalsContact O-N 3.08Å; A316-L318 PolarHBondContact O-N 2.96Å; L318-L321 HydrophobicContact CD2-CD1 4.41Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.25Å
319R96.4Very high95.1Very high145 Ų14557.4 Ų57.455%0.54730%0.303SS..Hα-helixtrans-69.4-38.9173.4-76.5-178.3-76160.4-6.1111.8A299 D315 A316 D317 A322 R323A299-R319 HydrophobicContact CB-CG 4.46Å; D315-R319 WeakPolarHBondContact O-CG 3.46Å; D315-R319 PolarHBondContact O-N 3Å; D315-R319 PolarHBondContact O-NE 3.47Å; A316-R319 PolarHBondContact O-N 3.49Å; D317-R319 VanDerWaalsContact C-N 3.29Å; D317-R319 PolarHBondContact O-N 3.26Å; R319-A322 PolarHBondContact O-N 3.45Å; R319-R323 PolarHBondContact O-N 3.37Å
320E97Very high95.2Very high79 Ų7955 Ų5537%0.36929%0.29SS..Hα-helixtrans-62.8-44.8174.6-171.2-176.4165.100111.5A316 D317 A322 R323 K324 M403A316-E320 PolarHBondContact O-N 3.26Å; D317-E320 PolarHBondContact O-N 3.04Å; D317-E320 VanDerWaalsContact O-N 3.16Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 2.84Å; E320-R323 WeakPolarHBondContact O-CB 3.35Å; E320-R323 PolarHBondContact O-N 3.21Å; E320-K324 WeakPolarHBondContact O-CG 3.42Å; E320-K324 PolarHBondContact O-N 2.7Å; E320-K324 WeakPolarHBondContact OE1-CE 3.37Å; E320-K324 IonicContact OE1-NZ 2.96Å; E320-K324 PolarHBondContact OE1-NZ 3.41Å; E320-M403 HydrophobicContact CB-CE 4.27Å; E320-M403 HydrophobicContact CG-CE 4.27Å
321L96.8Very high95.4Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-58.5-45.7174.7-71.1170.9000111.1F302 D317 L318 R323 K324 T325 M403 M406 L407F302-L321 HydrophobicContact CD1-CD1 4.33Å; F302-L321 HydrophobicContact CD2-CB 4.01Å; F302-L321 HydrophobicContact CE1-CB 4.42Å; F302-L321 HydrophobicContact CE1-CD1 4.41Å; F302-L321 HydrophobicContact CE2-CB 3.7Å; F302-L321 HydrophobicContact CZ-CB 3.93Å; D317-L321 WeakPolarHBondContact O-CG 3.48Å; D317-L321 PolarHBondContact O-N 2.73Å; L318-L321 HydrophobicContact CD2-CD1 4.41Å; L321-R323 VanDerWaalsContact C-N 3.27Å; L321-R323 PolarHBondContact O-N 2.61Å; L321-K324 PolarHBondContact O-N 3.22Å; L321-K324 VanDerWaalsContact O-N 3.07Å; L321-T325 WeakPolarHBondContact O-CG2 3.48Å; L321-T325 PolarHBondContact O-N 3.31Å; L321-T325 PolarHBondContact O-OG1 2.94Å; L321-T325 VanDerWaalsContact O-OG1 3.1Å; L321-M403 HydrophobicContact CD1-SD 4.12Å; L321-M403 HydrophobicContact CD2-CE 3.86Å; L321-M403 HydrophobicContact CD2-SD 3.84Å; L321-M403 HydrophobicContact CG-CE 3.91Å; L321-M403 HydrophobicContact CG-SD 3.89Å; L321-M406 HydrophobicContact CD1-CB 4.04Å; L321-M406 HydrophobicContact CD1-CE 3.61Å; L321-M406 HydrophobicContact CD1-CG 4.07Å; L321-M406 HydrophobicContact CD2-CB 3.9Å; L321-L407 HydrophobicContact CD2-CD2 4.36Å
322A96.6Very high95.5Very high0 Ų049.9 Ų49.90%027%0.266CS..Hα-helixtrans-59.9-35.5177.300000113.5E295 R298 A299 L318 R319 E320 T325E295-A322 HydrophobicContact CG-CB 3.99Å; E295-A322 WeakPolarHBondContact O-CB 3.4Å; R298-A322 HydrophobicContact CB-CB 3.94Å; R298-A322 PolarHBondContact NE-O 3.42Å; R298-A322 PolarHBondContact NH2-O 3.25Å; A299-A322 HydrophobicContact CB-CB 3.73Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.25Å; R319-A322 PolarHBondContact O-N 3.45Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 2.84Å; A322-T325 PolarHBondContact O-OG1 3.3Å
323R96.8Very high95.5Very high167 Ų16746.7 Ų46.763%0.6324%0.244SC*.Hα-helixtrans-69.4-36.3174.3-168.3-177.9-60165.33.5112.2E295 R319 E320 L321 T325E295-R323 IonicContact OE1-NE 3.31Å; R319-R323 PolarHBondContact O-N 3.37Å; E320-R323 WeakPolarHBondContact O-CB 3.35Å; E320-R323 PolarHBondContact O-N 3.21Å; L321-R323 VanDerWaalsContact C-N 3.27Å; L321-R323 PolarHBondContact O-N 2.61Å; R323-T325 VanDerWaalsContact C-N 3.34Å
324K96.2Very high95.5Very high105 Ų10547.2 Ų47.246%0.45725%0.248SC..Hα-helixtrans-77.3-17.6178.6-67.1178.8-172.9-71.70113.6E320 L321 L407 L410E320-K324 WeakPolarHBondContact O-CG 3.42Å; E320-K324 PolarHBondContact O-N 2.7Å; E320-K324 WeakPolarHBondContact OE1-CE 3.37Å; E320-K324 IonicContact OE1-NZ 2.96Å; E320-K324 PolarHBondContact OE1-NZ 3.41Å; L321-K324 PolarHBondContact O-N 3.22Å; L321-K324 VanDerWaalsContact O-N 3.07Å; K324-L407 HydrophobicContact CD-CD2 3.88Å; K324-L410 HydrophobicContact CB-CD2 3.74Å; K324-L410 HydrophobicContact CD-CD2 4.2Å
325T96Very high95.5Very high0 Ų048.6 Ų48.60%025%0.251CS..THydrogen-bonded Turntrans-100.437-179.956.80000113.7R298 F302 L321 A322 R323 G327 Y328 I336 L410R298-T325 WeakPolarHBondContact CD-O 3.21Å; R298-T325 PolarHBondContact NE-O 3.19Å; F302-T325 HydrophobicContact CE2-CG2 4.11Å; F302-T325 HydrophobicContact CZ-CG2 3.77Å; L321-T325 WeakPolarHBondContact O-CG2 3.48Å; L321-T325 PolarHBondContact O-N 3.31Å; L321-T325 PolarHBondContact O-OG1 2.94Å; L321-T325 VanDerWaalsContact O-OG1 3.1Å; A322-T325 PolarHBondContact O-OG1 3.3Å; R323-T325 VanDerWaalsContact C-N 3.34Å; T325-G327 PolarHBondContact O-N 3.4Å; T325-Y328 HydrophobicContact CG2-CD1 4.42Å; T325-Y328 HydrophobicContact CG2-CD2 4.46Å; T325-Y328 HydrophobicContact CG2-CG 4.3Å; T325-Y328 WeakPolarHBondContact O-CB 3.44Å; T325-Y328 WeakPolarHBondContact O-CD2 3.23Å; T325-Y328 PolarHBondContact O-N 2.93Å; T325-I336 HydrophobicContact CG2-CD1 4.14Å; T325-L410 HydrophobicContact CG2-CD1 3.63Å; T325-L410 HydrophobicContact CG2-CD2 4.44Å
326D94.3Very high95.6Very high121 Ų12144.2 Ų44.265%0.64723%0.228SC*.THydrogen-bonded Turntrans-64.1135.6174.5-165.134.9000112.1R298 Y328R298-D326 IonicContact CZ-OD1 3.4Å; R298-D326 IonicContact NH1-OD1 3.7Å; R298-D326 PolarHBondContact NH1-OD1 3.47Å; R298-D326 IonicContact NH2-OD1 3.24Å; R298-D326 PolarHBondContact NH2-OD1 2.89Å; D326-Y328 VanDerWaalsContact C-N 3.29Å; D326-Y328 WeakPolarHBondContact O-CD2 3.45Å; D326-Y328 PolarHBondContact O-N 3.24Å
327G92.8Very high95.7Very high26 Ų2641.8 Ų41.827%0.26821%0.207SC..THydrogen-bonded Turntrans77.90.4-173.300000116.1T325T325-G327 PolarHBondContact O-N 3.4Å
328Y95.1Very high95.6Very high20 Ų2047.8 Ų47.88%0.07823%0.227CC..  trans-80141.6177.4-75.8-119.2000111.2P293 T325 D326 D332 I336 L410 T413 P415P293-Y328 WeakPolarHBondContact CD-O 3.32Å; P293-Y328 WeakPolarHBondContact CG-O 3.45Å; T325-Y328 HydrophobicContact CG2-CD1 4.42Å; T325-Y328 HydrophobicContact CG2-CD2 4.46Å; T325-Y328 HydrophobicContact CG2-CG 4.3Å; T325-Y328 WeakPolarHBondContact O-CB 3.44Å; T325-Y328 WeakPolarHBondContact O-CD2 3.23Å; T325-Y328 PolarHBondContact O-N 2.93Å; D326-Y328 VanDerWaalsContact C-N 3.29Å; D326-Y328 WeakPolarHBondContact O-CD2 3.45Å; D326-Y328 PolarHBondContact O-N 3.24Å; Y328-D332 HydrophobicContact CD1-CB 3.6Å; Y328-D332 HydrophobicContact CE1-CB 4.45Å; Y328-D332 HydrophobicContact CG-CB 4.28Å; Y328-I336 HydrophobicContact CD1-CD1 3.69Å; Y328-I336 HydrophobicContact CE1-CD1 3.67Å; Y328-L410 HydrophobicContact CE1-CD1 4.12Å; Y328-T413 HydrophobicContact CE1-CG2 4.32Å; Y328-T413 PolarHBondContact OH-O 2.9Å; Y328-P415 HydrophobicContact CD2-CB 4Å; Y328-P415 HydrophobicContact CE2-CB 3.99Å; Y328-P415 HydrophobicContact CE2-CG 4.14Å; Y328-P415 HydrophobicContact CG-CB 4.33Å
329S95.1Very high95.6Very high2 Ų249 Ų491%0.01423%0.233CC..  trans-80.7166.8171.172.10000111.7A331 D332 I333S329-A331 PolarHBondContact O-N 2.96Å; S329-D332 WeakPolarHBondContact CB-OD2 3.3Å; S329-D332 PolarHBondContact N-OD2 3.02Å; S329-D332 PolarHBondContact O-N 2.59Å; S329-D332 VanDerWaalsContact O-N 3.16Å; S329-D332 PolarHBondContact OG-N 3.07Å; S329-D332 PolarHBondContact OG-OD2 2.96Å; S329-I333 PolarHBondContact O-N 3.37Å; S329-I333 VanDerWaalsContact O-N 3.08Å
330G93.6Very high95.6Very high12 Ų1242.1 Ų42.112%0.12421%0.207CC..Hα-helixtrans-61.2-34.1173.900000112.5G169 I333 S334G169-G330 WeakPolarHBondContact O-CA 3.4Å; G169-G330 PolarHBondContact O-N 3.24Å; G330-I333 PolarHBondContact O-N 2.82Å; G330-S334 PolarHBondContact O-N 2.72Å
331A93.6Very high95.6Very high43 Ų4340.6 Ų40.636%0.35520%0.202SC..Hα-helixtrans-63.5-43.517300000112.1G169 S329 I333 S334 I335G169-A331 PolarHBondContact O-N 2.66Å; S329-A331 PolarHBondContact O-N 2.96Å; A331-I333 VanDerWaalsContact C-N 3.35Å; A331-I333 PolarHBondContact O-N 2.93Å; A331-S334 PolarHBondContact O-N 3.44Å; A331-I335 WeakPolarHBondContact O-CG1 2.99Å; A331-I335 PolarHBondContact O-N 2.91Å
332D95.8Very high95.5Very high2 Ų244.7 Ų44.71%0.01122%0.222CC..Hα-helixtrans-63-42.5178-56.5-47.8000111.1Y328 S329 S334 I335 I336 T416Y328-D332 HydrophobicContact CD1-CB 3.6Å; Y328-D332 HydrophobicContact CE1-CB 4.45Å; Y328-D332 HydrophobicContact CG-CB 4.28Å; S329-D332 WeakPolarHBondContact CB-OD2 3.3Å; S329-D332 PolarHBondContact N-OD2 3.02Å; S329-D332 PolarHBondContact O-N 2.59Å; S329-D332 VanDerWaalsContact O-N 3.16Å; S329-D332 PolarHBondContact OG-N 3.07Å; S329-D332 PolarHBondContact OG-OD2 2.96Å; D332-S334 PolarHBondContact O-N 3.31Å; D332-I335 WeakPolarHBondContact O-CB 3.48Å; D332-I335 PolarHBondContact O-N 3Å; D332-I336 WeakPolarHBondContact O-CG1 3.39Å; D332-I336 PolarHBondContact O-N 3.23Å; D332-T416 WeakPolarHBondContact OD1-CB 3.5Å; D332-T416 PolarHBondContact OD1-OG1 3.24Å; D332-T416 PolarHBondContact OD2-N 3.35Å
333I96Very high95.4Very high0 Ų045.1 Ų45.10%022%0.224CC..Hα-helixtrans-62.5-42.9175.9-66.2170.1000111R298 M301 F302 S329 G330 A331 I335 I336 V337R298-I333 HydrophobicContact CB-CD1 3.78Å; R298-I333 HydrophobicContact CG-CD1 3.62Å; M301-I333 HydrophobicContact CB-CD1 4.39Å; M301-I333 HydrophobicContact CB-CG2 4.07Å; M301-I333 HydrophobicContact SD-CD1 4.05Å; F302-I333 HydrophobicContact CD1-CG2 3.9Å; F302-I333 HydrophobicContact CD2-CG2 4.24Å; F302-I333 HydrophobicContact CE1-CG2 3.85Å; F302-I333 HydrophobicContact CE2-CG2 4.2Å; F302-I333 HydrophobicContact CG-CG2 4.09Å; F302-I333 HydrophobicContact CZ-CG1 4.41Å; F302-I333 HydrophobicContact CZ-CG2 4Å; S329-I333 PolarHBondContact O-N 3.37Å; S329-I333 VanDerWaalsContact O-N 3.08Å; G330-I333 PolarHBondContact O-N 2.82Å; A331-I333 VanDerWaalsContact C-N 3.35Å; A331-I333 PolarHBondContact O-N 2.93Å; I333-I335 VanDerWaalsContact C-N 3.27Å; I333-I335 PolarHBondContact O-N 3.25Å; I333-I336 PolarHBondContact O-N 3.03Å; I333-V337 HydrophobicContact CG2-CG2 4.42Å; I333-V337 WeakPolarHBondContact O-CG2 3.33Å; I333-V337 PolarHBondContact O-N 2.93Å
334S94.9Very high95.3Very high23 Ų2337.6 Ų37.616%0.16120%0.196CC..Hα-helixtrans-59.9-38.4175.9-175.90000112G330 A331 D332 R338G330-S334 PolarHBondContact O-N 2.72Å; A331-S334 PolarHBondContact O-N 3.44Å; D332-S334 PolarHBondContact O-N 3.31Å; S334-R338 WeakPolarHBondContact O-CB 3.28Å; S334-R338 PolarHBondContact O-N 3.08Å
335I95.8Very high95.2Very high83 Ų8336.1 Ų36.143%0.42620%0.196SC..Hα-helixtrans-66.2-45.6176.4-67.4168.4000110.9A331 D332 I333 V337 R338 D339 T413A331-I335 WeakPolarHBondContact O-CG1 2.99Å; A331-I335 PolarHBondContact O-N 2.91Å; D332-I335 WeakPolarHBondContact O-CB 3.48Å; D332-I335 PolarHBondContact O-N 3Å; I333-I335 VanDerWaalsContact C-N 3.27Å; I333-I335 PolarHBondContact O-N 3.25Å; I335-V337 PolarHBondContact O-N 3.3Å; I335-R338 PolarHBondContact O-N 3.44Å; I335-D339 WeakPolarHBondContact O-CB 3.33Å; I335-D339 PolarHBondContact O-N 3.42Å; I335-T413 HydrophobicContact CG2-CG2 4.43Å
336I96.7Very high95.2Very high1 Ų141.3 Ų41.31%0.00522%0.216CC..Hα-helixtrans-57.6-50.7177-68.2163000110.4F302 T325 Y328 D332 I333 R338 D339 A340 M406 S409 L410 T413F302-I336 HydrophobicContact CE1-CG2 4.14Å; T325-I336 HydrophobicContact CG2-CD1 4.14Å; Y328-I336 HydrophobicContact CD1-CD1 3.69Å; Y328-I336 HydrophobicContact CE1-CD1 3.67Å; D332-I336 WeakPolarHBondContact O-CG1 3.39Å; D332-I336 PolarHBondContact O-N 3.23Å; I333-I336 PolarHBondContact O-N 3.03Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.33Å; I336-D339 PolarHBondContact O-N 2.97Å; I336-A340 WeakPolarHBondContact O-CB 3.5Å; I336-A340 PolarHBondContact O-N 3.14Å; I336-M406 HydrophobicContact CG2-CE 4.38Å; I336-S409 WeakPolarHBondContact CA-OG 3Å; I336-S409 PolarHBondContact O-OG 3.5Å; I336-L410 HydrophobicContact CD1-CD1 3.82Å; I336-T413 HydrophobicContact CD1-CG2 4.4Å; I336-T413 HydrophobicContact CG1-CG2 3.91Å
337V96.8Very high95.1Very high2 Ų238.6 Ų38.61%0.01220%0.198CC..Hα-helixtrans-62.8-45-179.71770000110.3F302 H305 L306 I333 I335 D339 A340 L341 M406F302-V337 HydrophobicContact CD1-CG2 3.48Å; F302-V337 VanDerWaalsContact CD1-CG2 3.48Å; F302-V337 HydrophobicContact CE1-CG2 3.91Å; H305-V337 HydrophobicContact CB-CB 3.91Å; H305-V337 HydrophobicContact CB-CG1 3.74Å; H305-V337 HydrophobicContact CB-CG2 3.94Å; L306-V337 HydrophobicContact CD2-CG1 4.1Å; L306-V337 HydrophobicContact CG-CG1 4.21Å; I333-V337 HydrophobicContact CG2-CG2 4.42Å; I333-V337 WeakPolarHBondContact O-CG2 3.33Å; I333-V337 PolarHBondContact O-N 2.93Å; I335-V337 PolarHBondContact O-N 3.3Å; V337-D339 VanDerWaalsContact C-N 3.34Å; V337-D339 PolarHBondContact O-N 3.49Å; V337-A340 PolarHBondContact O-N 3.28Å; V337-L341 HydrophobicContact CG1-CD1 3.95Å; V337-L341 HydrophobicContact CG1-CG 4.11Å; V337-L341 WeakPolarHBondContact O-CB 3.43Å; V337-L341 VanDerWaalsContact O-CG 3.23Å; V337-L341 WeakPolarHBondContact O-CG 3.2Å; V337-L341 PolarHBondContact O-N 3.24Å; V337-M406 HydrophobicContact CG2-CE 3.95Å
338R95.9Very high95.2Very high165 Ų16538.1 Ų38.162%0.62319%0.19SC*.Hα-helixtrans-59.9-43.2179.2-174.2-177.7-58.71754.1112.3S334 I335 I336 L341 M342S334-R338 WeakPolarHBondContact O-CB 3.28Å; S334-R338 PolarHBondContact O-N 3.08Å; I335-R338 PolarHBondContact O-N 3.44Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.33Å; R338-L341 PolarHBondContact O-N 3.49Å; R338-M342 WeakPolarHBondContact O-CG 3.23Å; R338-M342 PolarHBondContact O-N 3.38Å
339D96Very high95.2Very high33 Ų3343.2 Ų43.218%0.17622%0.215CC..Hα-helixtrans-70.2-36.5178.417571.8000112.1I335 I336 V337 M342 Q343 R346 S409I335-D339 WeakPolarHBondContact O-CB 3.33Å; I335-D339 PolarHBondContact O-N 3.42Å; I336-D339 PolarHBondContact O-N 2.97Å; V337-D339 VanDerWaalsContact C-N 3.34Å; V337-D339 PolarHBondContact O-N 3.49Å; D339-M342 PolarHBondContact O-N 3.11Å; D339-Q343 PolarHBondContact O-N 2.79Å; D339-R346 IonicContact OD1-CZ 2.84Å; D339-R346 VanDerWaalsContact OD1-CZ 3.23Å; D339-R346 IonicContact OD1-NH1 3.23Å; D339-R346 PolarHBondContact OD1-NH1 3.38Å; D339-R346 IonicContact OD1-NH2 2.77Å; D339-R346 PolarHBondContact OD1-NH2 3.12Å; D339-R346 IonicContact OD2-NH1 2.71Å; D339-S409 VanDerWaalsContact CB-OG 3.31Å; D339-S409 WeakPolarHBondContact CB-OG 3.49Å; D339-S409 VanDerWaalsContact OD2-CB 3.27Å; D339-S409 WeakPolarHBondContact OD2-CB 3.49Å; D339-S409 PolarHBondContact OD2-OG 2.89Å
340A96.4Very high95.2Very high0 Ų047.6 Ų47.60%025%0.245CC..Hα-helixtrans-64.2-41.317200000112.6I336 V337 M342 Q343 V401 M406I336-A340 WeakPolarHBondContact O-CB 3.5Å; I336-A340 PolarHBondContact O-N 3.14Å; V337-A340 PolarHBondContact O-N 3.28Å; A340-M342 PolarHBondContact O-N 3.18Å; A340-Q343 VanDerWaalsContact O-CB 3.32Å; A340-Q343 WeakPolarHBondContact O-CB 3.46Å; A340-Q343 WeakPolarHBondContact O-CG 3.28Å; A340-Q343 PolarHBondContact O-N 3.48Å; A340-V401 HydrophobicContact CB-CG1 4.34Å; A340-M406 HydrophobicContact CB-CG 4.32Å; A340-M406 HydrophobicContact CB-SD 3.3Å; A340-M406 WeakPolarHBondContact CB-SD 3.48Å
341L96.1Very high95.2Very high48 Ų4847.7 Ų47.725%0.25125%0.245SC..Hα-helixtrans-60.9-24.8174.3-72.2176.6000112.7L306 T309 V337 R338 P344 V401L306-L341 HydrophobicContact CD2-CD2 4.28Å; T309-L341 HydrophobicContact CG2-CD2 3.79Å; V337-L341 HydrophobicContact CG1-CD1 3.95Å; V337-L341 HydrophobicContact CG1-CG 4.11Å; V337-L341 WeakPolarHBondContact O-CB 3.43Å; V337-L341 VanDerWaalsContact O-CG 3.23Å; V337-L341 WeakPolarHBondContact O-CG 3.2Å; V337-L341 PolarHBondContact O-N 3.24Å; R338-L341 PolarHBondContact O-N 3.49Å; L341-P344 WeakPolarHBondContact O-CD 3.42Å; L341-V401 HydrophobicContact CD2-CG2 4Å
342M95.3Very high95.3Very high85 Ų8549.3 Ų49.342%0.41925%0.25SS..THydrogen-bonded Turntrans-84.8-9.2174.8-69.3-58-59.900113.8R338 D339 A340 V345 R346R338-M342 WeakPolarHBondContact O-CG 3.23Å; R338-M342 PolarHBondContact O-N 3.38Å; D339-M342 PolarHBondContact O-N 3.11Å; A340-M342 PolarHBondContact O-N 3.18Å; M342-V345 HydrophobicContact CE-CB 3.99Å; M342-V345 HydrophobicContact CE-CG1 4Å; M342-V345 HydrophobicContact CE-CG2 4.15Å; M342-V345 PolarHBondContact O-N 2.71Å; M342-V345 HydrophobicContact SD-CG2 4.38Å; M342-R346 WeakPolarHBondContact O-CG 3.33Å; M342-R346 PolarHBondContact O-N 3Å
343Q94.5Very high95.3Very high10 Ų1050.7 Ų50.75%0.04726%0.257CS..Hα-helixtrans-63.5-43.7-179.7-64.4-68.6-3900113D339 A340 V345 R346 K347 D405D339-Q343 PolarHBondContact O-N 2.79Å; A340-Q343 VanDerWaalsContact O-CB 3.32Å; A340-Q343 WeakPolarHBondContact O-CB 3.46Å; A340-Q343 WeakPolarHBondContact O-CG 3.28Å; A340-Q343 PolarHBondContact O-N 3.48Å; Q343-V345 VanDerWaalsContact C-N 3.3Å; Q343-V345 PolarHBondContact O-N 2.9Å; Q343-R346 PolarHBondContact O-N 3.23Å; Q343-K347 VanDerWaalsContact O-CG 3.32Å; Q343-K347 WeakPolarHBondContact O-CG 3.47Å; Q343-K347 PolarHBondContact O-N 3.28Å; Q343-D405 HydrophobicContact CB-CB 3.94Å; Q343-D405 WeakPolarHBondContact CB-OD1 3.43Å; Q343-D405 HydrophobicContact CG-CB 3.86Å
344P94.9Very high95.3Very high8 Ų850.7 Ų50.75%0.05226%0.257CS..Hα-helixtrans-56.2-42.6173-29.938.2000113.7L341 R346 K347 V348 P399 V401L341-P344 WeakPolarHBondContact O-CD 3.42Å; P344-R346 PolarHBondContact O-N 3.42Å; P344-K347 WeakPolarHBondContact O-CB 3.47Å; P344-K347 PolarHBondContact O-N 3.29Å; P344-V348 WeakPolarHBondContact O-CG2 3.26Å; P344-V348 PolarHBondContact O-N 2.87Å; P344-P399 HydrophobicContact CB-CB 4.26Å; P344-P399 WeakPolarHBondContact CB-O 3.47Å; P344-P399 WeakPolarHBondContact CG-O 3.49Å; P344-V401 HydrophobicContact CG-CG2 3.71Å
345V94.6Very high95.3Very high75 Ų7552.5 Ų52.546%0.45526%0.262SS..Hα-helixtrans-61.6-47178.1-178.20000110.5M342 Q343 K347 V348 Q349M342-V345 HydrophobicContact CE-CB 3.99Å; M342-V345 HydrophobicContact CE-CG1 4Å; M342-V345 HydrophobicContact CE-CG2 4.15Å; M342-V345 PolarHBondContact O-N 2.71Å; M342-V345 HydrophobicContact SD-CG2 4.38Å; Q343-V345 VanDerWaalsContact C-N 3.3Å; Q343-V345 PolarHBondContact O-N 2.9Å; V345-K347 VanDerWaalsContact C-N 3.33Å; V345-K347 PolarHBondContact O-N 3.27Å; V345-V348 PolarHBondContact O-N 3.27Å; V345-Q349 WeakPolarHBondContact O-CB 3.24Å; V345-Q349 PolarHBondContact O-N 3.05Å
346R94.4Very high95.3Very high108 Ų10855.1 Ų55.141%0.40827%0.27SS..Hα-helixtrans-61.8-40.1176.6-68.4171.2-176.4160.31.2111.8D339 M342 Q343 P344 Q349 S350D339-R346 IonicContact OD1-CZ 2.84Å; D339-R346 VanDerWaalsContact OD1-CZ 3.23Å; D339-R346 IonicContact OD1-NH1 3.23Å; D339-R346 PolarHBondContact OD1-NH1 3.38Å; D339-R346 IonicContact OD1-NH2 2.77Å; D339-R346 PolarHBondContact OD1-NH2 3.12Å; D339-R346 IonicContact OD2-NH1 2.71Å; M342-R346 WeakPolarHBondContact O-CG 3.33Å; M342-R346 PolarHBondContact O-N 3Å; Q343-R346 PolarHBondContact O-N 3.23Å; P344-R346 PolarHBondContact O-N 3.42Å; R346-Q349 PolarHBondContact O-N 3.16Å; R346-S350 WeakPolarHBondContact O-CB 3.36Å; R346-S350 PolarHBondContact O-N 2.91Å; R346-S350 PolarHBondContact O-OG 3.16Å
347K93.6Very high95.1Very high64 Ų6456.6 Ų56.628%0.27828%0.279SS..Hα-helixtrans-62.8-42.5176.1-72.8171.2-172.3169.30111.9Q343 P344 V345 A351 D405Q343-K347 VanDerWaalsContact O-CG 3.32Å; Q343-K347 WeakPolarHBondContact O-CG 3.47Å; Q343-K347 PolarHBondContact O-N 3.28Å; P344-K347 WeakPolarHBondContact O-CB 3.47Å; P344-K347 PolarHBondContact O-N 3.29Å; V345-K347 VanDerWaalsContact C-N 3.33Å; V345-K347 PolarHBondContact O-N 3.27Å; K347-A351 VanDerWaalsContact O-CB 3.3Å; K347-A351 WeakPolarHBondContact O-CB 3.33Å; K347-A351 PolarHBondContact O-N 2.96Å; K347-D405 VanDerWaalsContact CE-OD1 3.3Å; K347-D405 WeakPolarHBondContact CE-OD1 3.39Å; K347-D405 IonicContact NZ-OD1 2.71Å; K347-D405 PolarHBondContact NZ-OD1 2.94Å; K347-D405 IonicContact NZ-OD2 3.92Å; K347-D405 PolarHBondContact NZ-OD2 3.28Å
348V94.6Very high94.9Very high16 Ų1664.9 Ų64.910%0.09731%0.31CS..Hα-helixtrans-64.6-45175.3172.90000110.6P344 V345 S350 A351 F354 P375 W388 L396P344-V348 WeakPolarHBondContact O-CG2 3.26Å; P344-V348 PolarHBondContact O-N 2.87Å; V345-V348 PolarHBondContact O-N 3.27Å; V348-S350 PolarHBondContact O-N 3.02Å; V348-A351 WeakPolarHBondContact O-CB 3.38Å; V348-A351 PolarHBondContact O-N 3.07Å; V348-F354 HydrophobicContact CG1-CE1 4.49Å; V348-F354 HydrophobicContact CG1-CZ 4.31Å; V348-P375 HydrophobicContact CB-CG 4.22Å; V348-P375 HydrophobicContact CG2-CG 3.6Å; V348-W388 HydrophobicContact CG1-CB 3.88Å; V348-L396 HydrophobicContact CG1-CD1 3.99Å; V348-L396 HydrophobicContact CG1-CD2 4.1Å; V348-L396 HydrophobicContact CG2-CD1 4.3Å
349Q94.6Very high94.5Very high128 Ų12857.3 Ų57.360%0.59828%0.283SS*.Hα-helixtrans-65.7-37.1-177.9-170.1-179.812.900113V345 R346V345-Q349 WeakPolarHBondContact O-CB 3.24Å; V345-Q349 PolarHBondContact O-N 3.05Å; R346-Q349 PolarHBondContact O-N 3.16Å
350S94.8Very high94.2Very high94 Ų9458.1 Ų58.166%0.65729%0.29SS*.THydrogen-bonded Turntrans-91.40.7178.667.10000114.2R346 V348R346-S350 WeakPolarHBondContact O-CB 3.36Å; R346-S350 PolarHBondContact O-N 2.91Å; R346-S350 PolarHBondContact O-OG 3.16Å; V348-S350 PolarHBondContact O-N 3.02Å
351A94.8Very high93.7Very high14 Ų1459.2 Ų59.212%0.11630%0.298CS..  trans-68.9133179.300000111.3K347 V348 F354 P375K347-A351 VanDerWaalsContact O-CB 3.3Å; K347-A351 WeakPolarHBondContact O-CB 3.33Å; K347-A351 PolarHBondContact O-N 2.96Å; V348-A351 WeakPolarHBondContact O-CB 3.38Å; V348-A351 PolarHBondContact O-N 3.07Å; A351-F354 HydrophobicContact CB-CD2 4.37Å; A351-F354 HydrophobicContact CB-CE2 3.59Å; A351-F354 HydrophobicContact CB-CZ 3.7Å; A351-P375 HydrophobicContact CB-CB 3.86Å; A351-P375 HydrophobicContact CB-CG 4.18Å
352T95.1Very high93.2Very high76 Ų7661.6 Ų61.647%0.46630%0.304SS..SBendtrans-102.3-16.6170.955.70000112.4M386T352-M386 CarbonylContact C-O 3.22Å; T352-M386 PolarHBondContact O-N 3.46Å; T352-M386 VanDerWaalsContact O-N 3.09Å
353H96.3Very high92.6Very high31 Ų3162.8 Ų62.814%0.14432%0.321CS..EExtended strand (participates in β ladder)trans-136.6139.8-177-65.869.4000110.5C376 A383 I384H353-C376 PolarHBondContact O-N 3.24Å; H353-A383 HydrophobicContact CB-CB 4.17Å; H353-I384 CarbonylContact C-O 3.6Å; H353-I384 VanDerWaalsContact CA-O 3.3Å; H353-I384 WeakPolarHBondContact CA-O 3.38Å
354F96.3Very high92.1Very high0 Ų066 Ų660%034%0.338CS..EExtended strand (participates in β ladder)trans-125.9153.3175.9-73.1-104.2000110.1V348 A351 L373 T374 P375 I384 M386 W388 V391 L396V348-F354 HydrophobicContact CG1-CE1 4.49Å; V348-F354 HydrophobicContact CG1-CZ 4.31Å; A351-F354 HydrophobicContact CB-CD2 4.37Å; A351-F354 HydrophobicContact CB-CE2 3.59Å; A351-F354 HydrophobicContact CB-CZ 3.7Å; F354-L373 HydrophobicContact CB-CB 4.39Å; F354-L373 HydrophobicContact CB-CD2 4.33Å; F354-L373 HydrophobicContact CD1-CB 4.25Å; F354-T374 CarbonylContact C-O 3.57Å; F354-T374 WeakPolarHBondContact CA-O 3.46Å; F354-T374 VanDerWaalsContact CD1-C 3.49Å; F354-P375 HydrophobicContact CD1-CG 4.29Å; F354-P375 HydrophobicContact CE1-CB 4.48Å; F354-P375 HydrophobicContact CE1-CG 3.72Å; F354-P375 HydrophobicContact CZ-CG 4.2Å; F354-I384 PolarHBondContact N-O 3.12Å; F354-I384 WeakPolarHBondContact O-CB 3.21Å; F354-I384 PolarHBondContact O-N 3.42Å; F354-M386 HydrophobicContact CB-CG 3.95Å; F354-M386 HydrophobicContact CB-SD 4.11Å; F354-M386 HydrophobicContact CD2-CG 3.68Å; F354-M386 WeakPolarHBondContact CD2-O 3.09Å; F354-M386 HydrophobicContact CG-CG 4.13Å; F354-M386 HydrophobicContact CG-SD 4.48Å; F354-W388 HydrophobicContact CZ-CB 4.21Å; F354-V391 HydrophobicContact CD1-CG2 3.99Å; F354-V391 HydrophobicContact CD2-CG2 4.27Å; F354-V391 HydrophobicContact CE1-CG2 3.95Å; F354-V391 HydrophobicContact CE2-CG2 4.24Å; F354-V391 HydrophobicContact CG-CG2 4.16Å; F354-V391 HydrophobicContact CZ-CG2 4.08Å; F354-L396 HydrophobicContact CE1-CD1 3.97Å
355K94.8Very high91.4Very high61 Ų6171.7 Ų71.727%0.26537%0.368SS..EExtended strand (participates in β ladder)trans-126.6150.9173.668.2-179.9175.5-174.70111.5V357 L373 T374 C376 D380 A382K355-V357 HydrophobicContact CD-CG1 4.42Å; K355-V357 HydrophobicContact CG-CG1 4.03Å; K355-L373 WeakPolarHBondContact O-CA 3.19Å; K355-T374 HydrophobicContact CG-CG2 3.93Å; K355-T374 PolarHBondContact N-O 3.3Å; K355-T374 PolarHBondContact O-N 3.03Å; K355-C376 HydrophobicContact CB-CB 4.15Å; K355-C376 HydrophobicContact CD-CB 3.76Å; K355-C376 HydrophobicContact CG-CB 3.81Å; K355-D380 WeakPolarHBondContact CD-OD2 3.4Å; K355-D380 IonicContact NZ-OD2 2.8Å; K355-D380 PolarHBondContact NZ-OD2 3Å; K355-A382 HydrophobicContact CB-CB 4.33Å; K355-A382 WeakPolarHBondContact CB-O 3.23Å
356K94.3Very high91Very high138 Ų13876.6 Ų76.660%0.639%0.386SS*.EExtended strand (participates in β ladder)trans-76.8131.5175.2-67.9-177.1-178.3-178.20110.6L372 L373 I384K356-L372 CarbonylContact C-O 3.58Å; K356-L372 VanDerWaalsContact CA-O 3.23Å; K356-L372 WeakPolarHBondContact CA-O 3.27Å; K356-L373 HydrophobicContact CG-CD2 3.65Å; K356-I384 HydrophobicContact CG-CD1 4.31Å
357V93.1Very high90.7Very high33 Ų3374.9 Ų74.920%0.239%0.388CS..EExtended strand (participates in β ladder)trans-139.5152.6-178.3-66.30000111K355 D370 L372 T374 L397K355-V357 HydrophobicContact CD-CG1 4.42Å; K355-V357 HydrophobicContact CG-CG1 4.03Å; V357-D370 CarbonylContact O-C 3.59Å; V357-L372 HydrophobicContact CG2-CB 4.18Å; V357-L372 PolarHBondContact N-O 2.82Å; V357-L372 PolarHBondContact O-N 3.22Å; V357-T374 HydrophobicContact CB-CG2 4.49Å; V357-T374 HydrophobicContact CG1-CG2 3.76Å; V357-T374 HydrophobicContact CG2-CG2 3.86Å; V357-L397 HydrophobicContact CG2-CB 4.43Å; V357-L397 HydrophobicContact CG2-CD2 3.54Å
358R92.1Very high90.4Very high175 Ų17577.2 Ų77.266%0.6640%0.401SS*.EExtended strand (participates in β ladder)trans-81.2131.1171.6-178.3173.2-166.1-168.7-1.6110.7V369 D370R358-V369 CarbonylContact C-O 3.46Å; R358-V369 VanDerWaalsContact CA-O 3.28Å; R358-V369 WeakPolarHBondContact CA-O 3.43Å; R358-D370 WeakPolarHBondContact CB-OD1 3.49Å; R358-D370 WeakPolarHBondContact CD-OD1 3.39Å; R358-D370 WeakPolarHBondContact CG-OD1 3.35Å; R358-D370 IonicContact NE-OD1 2.59Å; R358-D370 PolarHBondContact NE-OD1 2.77Å
359G89.1Confident90.2Very high6 Ų677.8 Ų77.86%0.06240%0.404CS..EExtended strand (participates in β ladder)trans-164.6178.317500000113.4M368 V369G359-M368 VanDerWaalsContact C-SD 3.6Å; G359-M368 WeakPolarHBondContact O-CA 3.33Å; G359-V369 PolarHBondContact N-O 2.79Å; G359-V369 PolarHBondContact O-N 2.84Å
360P87.8Confident90Very high50 Ų5076.9 Ų76.933%0.32540%0.404SS..EExtended strand (participates in β ladder)trans-66.3135.1178.826.6-32.7000110.9
361S87.3Confident89.8Confident23 Ų2375.7 Ų75.716%0.16139%0.39CS..  trans-62.6138.7175.5178.60000110.9S363 N364 N365 V367S361-S363 PolarHBondContact O-N 3.46Å; S361-S363 PolarHBondContact OG-N 2.94Å; S361-N364 CarbonylContact O-C 3.46Å; S361-N364 PolarHBondContact O-N 3.22Å; S361-N365 PolarHBondContact O-N 2.85Å; S361-N365 PolarHBondContact O-OD1 2.99Å; S361-V367 WeakPolarHBondContact CB-O 2.94Å; S361-V367 PolarHBondContact N-O 2.71Å
362R84.3Confident89.7Confident98 Ų9875 Ų7537%0.3738%0.384SS..SBendtrans-63.4-27.1175.7-64.7-60.9-179.4176.4-4.3113.7D394 L396 E398R362-D394 VanDerWaalsContact CG-O 3.24Å; R362-D394 WeakPolarHBondContact CG-O 3.37Å; R362-L396 PolarHBondContact NE-O 3.02Å; R362-L396 PolarHBondContact NH2-O 3.37Å; R362-E398 IonicContact CZ-OE1 2.82Å; R362-E398 IonicContact CZ-OE2 3.37Å; R362-E398 VanDerWaalsContact CZ-OE2 3.31Å; R362-E398 IonicContact NH1-OE1 2.96Å; R362-E398 PolarHBondContact NH1-OE1 3.45Å; R362-E398 IonicContact NH1-OE2 3.24Å; R362-E398 PolarHBondContact NH1-OE2 3.5Å; R362-E398 IonicContact NH2-OE1 2.66Å; R362-E398 PolarHBondContact NH2-OE1 3.27Å; R362-E398 IonicContact NH2-OE2 3.49Å; R362-E398 PolarHBondContact NH2-OE2 2.98Å
363S82.5Confident89.7Confident111 Ų11172.1 Ų72.178%0.77637%0.366SS*.SBendtrans-82-29.5177.6-51.80000112.4S361S361-S363 PolarHBondContact O-N 3.46Å; S361-S363 PolarHBondContact OG-N 2.94Å
364N84.6Confident89.6Confident77 Ų7771.5 Ų71.541%0.41236%0.364SS..  trans-152.8108.9178.5-173.4-3.1000111.1S361 Q366 V367S361-N364 CarbonylContact O-C 3.46Å; S361-N364 PolarHBondContact O-N 3.22Å; N364-Q366 PolarHBondContact O-N 3.44Å; N364-Q366 PolarHBondContact OD1-N 3.22Å; N364-V367 HydrophobicContact CB-CG2 4.27Å; N364-V367 PolarHBondContact O-N 3.21Å
365N81.2Confident89.6Confident127 Ų12772.8 Ų72.868%0.67937%0.372SS*.THydrogen-bonded Turntrans-61.6-13.5-177.3-75.6-3.7000114.6S361S361-N365 PolarHBondContact O-N 2.85Å; S361-N365 PolarHBondContact O-OD1 2.99Å
366Q84.7Confident89.5Confident178 Ų17870.9 Ų70.983%0.83237%0.367SS*.THydrogen-bonded Turntrans-84.3-16.6176.8-63.6-176.8-4.100113.5N364N364-Q366 PolarHBondContact O-N 3.44Å; N364-Q366 PolarHBondContact OD1-N 3.22Å
367V88.5Confident89.5Confident73 Ų7368.5 Ų68.544%0.44237%0.367SS..SBendtrans-99.2122.4-178-178.70000109.1S361 N364 V369S361-V367 WeakPolarHBondContact CB-O 2.94Å; S361-V367 PolarHBondContact N-O 2.71Å; N364-V367 HydrophobicContact CB-CG2 4.27Å; N364-V367 PolarHBondContact O-N 3.21Å; V367-V369 HydrophobicContact CG1-CG1 4.37Å
368M87.9Confident89.5Confident112 Ų11271 Ų7155%0.55238%0.384SS*.EExtended strand (participates in β ladder)trans-85.1131.2173.2-67.7-68.3-170.400110G359G359-M368 VanDerWaalsContact C-SD 3.6Å; G359-M368 WeakPolarHBondContact O-CA 3.33Å
369V90.4Very high89.4Confident29 Ų2966.1 Ų66.118%0.17639%0.388CS..EExtended strand (participates in β ladder)trans-122.2145.2175.9-63.20000109.8R358 G359 V367 L372R358-V369 CarbonylContact C-O 3.46Å; R358-V369 VanDerWaalsContact CA-O 3.28Å; R358-V369 WeakPolarHBondContact CA-O 3.43Å; G359-V369 PolarHBondContact N-O 2.79Å; G359-V369 PolarHBondContact O-N 2.84Å; V367-V369 HydrophobicContact CG1-CG1 4.37Å; V369-L372 HydrophobicContact CG2-CD1 4.23Å; V369-L372 HydrophobicContact CG2-CD2 3.75Å; V369-L372 HydrophobicContact CG2-CG 3.78Å
370D89.8Confident89.6Confident109 Ų10967.8 Ų67.858%0.58340%0.396SS*.EExtended strand (participates in β ladder)trans-97.77.3-173.4-62.7-32.6000113.4V357 R358V357-D370 CarbonylContact O-C 3.59Å; R358-D370 WeakPolarHBondContact CB-OD1 3.49Å; R358-D370 WeakPolarHBondContact CD-OD1 3.39Å; R358-D370 WeakPolarHBondContact CG-OD1 3.35Å; R358-D370 IonicContact NE-OD1 2.59Å; R358-D370 PolarHBondContact NE-OD1 2.77Å
371D91.3Very high89.8Confident68 Ų6871.9 Ų71.936%0.36442%0.423SS..EExtended strand (participates in β ladder)trans-11717-169.672.4-17.8000114.6K395D371-K395 IonicContact OD1-NZ 2.91Å; D371-K395 PolarHBondContact OD1-NZ 3.21Å; D371-K395 VanDerWaalsContact OD2-CE 3.28Å; D371-K395 WeakPolarHBondContact OD2-CE 3.38Å; D371-K395 IonicContact OD2-NZ 3.48Å; D371-K395 PolarHBondContact OD2-NZ 2.78Å
372L93.3Very high90Very high1 Ų173.4 Ų73.41%0.00544%0.436CS..EExtended strand (participates in β ladder)trans-74.7148.2174.6-56.4179.5000110.9K356 V357 V369 K395 L397K356-L372 CarbonylContact C-O 3.58Å; K356-L372 VanDerWaalsContact CA-O 3.23Å; K356-L372 WeakPolarHBondContact CA-O 3.27Å; V357-L372 HydrophobicContact CG2-CB 4.18Å; V357-L372 PolarHBondContact N-O 2.82Å; V357-L372 PolarHBondContact O-N 3.22Å; V369-L372 HydrophobicContact CG2-CD1 4.23Å; V369-L372 HydrophobicContact CG2-CD2 3.75Å; V369-L372 HydrophobicContact CG2-CG 3.78Å; L372-K395 CarbonylContact C-O 3.59Å; L372-K395 WeakPolarHBondContact CA-O 3.31Å; L372-K395 HydrophobicContact CD2-CD 4.47Å; L372-L397 HydrophobicContact CB-CB 3.98Å; L372-L397 HydrophobicContact CD1-CB 4.19Å; L372-L397 HydrophobicContact CD1-CD1 4.09Å; L372-L397 HydrophobicContact CD1-CD2 4.35Å; L372-L397 HydrophobicContact CD1-CG 4.45Å
373L94Very high90.5Very high14 Ų1470 Ų707%0.07343%0.43CS..EExtended strand (participates in β ladder)trans-111127179.4-69.8168.7000110F354 K355 K356 M386 V391 K395 L397F354-L373 HydrophobicContact CB-CB 4.39Å; F354-L373 HydrophobicContact CB-CD2 4.33Å; F354-L373 HydrophobicContact CD1-CB 4.25Å; K355-L373 WeakPolarHBondContact O-CA 3.19Å; K356-L373 HydrophobicContact CG-CD2 3.65Å; L373-M386 HydrophobicContact CD1-SD 3.91Å; L373-V391 HydrophobicContact CB-CG1 4.08Å; L373-V391 HydrophobicContact CD1-CG1 4.09Å; L373-V391 HydrophobicContact CD1-CG2 4.25Å; L373-K395 PolarHBondContact N-O 3.37Å; L373-L397 PolarHBondContact O-N 3.38Å
374T94.5Very high91Very high19 Ų1967.9 Ų67.912%0.11741%0.409CS..EExtended strand (participates in β ladder)trans-126.1146175.5-161.30000110.6F354 K355 V357 C376 L397F354-T374 CarbonylContact C-O 3.57Å; F354-T374 WeakPolarHBondContact CA-O 3.46Å; F354-T374 VanDerWaalsContact CD1-C 3.49Å; K355-T374 HydrophobicContact CG-CG2 3.93Å; K355-T374 PolarHBondContact N-O 3.3Å; K355-T374 PolarHBondContact O-N 3.03Å; V357-T374 HydrophobicContact CB-CG2 4.49Å; V357-T374 HydrophobicContact CG1-CG2 3.76Å; V357-T374 HydrophobicContact CG2-CG2 3.86Å; T374-C376 PolarHBondContact O-N 3.5Å; T374-L397 WeakPolarHBondContact CB-O 3.16Å; T374-L397 PolarHBondContact OG1-O 2.93Å
375P95.6Very high91.5Very high26 Ų2671.8 Ų71.817%0.16943%0.425CS..EExtended strand (participates in β ladder)trans-54.2138.2175.2-28.236.2000112.6V348 A351 F354 P399V348-P375 HydrophobicContact CB-CG 4.22Å; V348-P375 HydrophobicContact CG2-CG 3.6Å; A351-P375 HydrophobicContact CB-CB 3.86Å; A351-P375 HydrophobicContact CB-CG 4.18Å; F354-P375 HydrophobicContact CD1-CG 4.29Å; F354-P375 HydrophobicContact CE1-CB 4.48Å; F354-P375 HydrophobicContact CE1-CG 3.72Å; F354-P375 HydrophobicContact CZ-CG 4.2Å; P375-P399 HydrophobicContact CG-CG 4.14Å
376C93.6Very high92.1Very high22 Ų2267.7 Ų67.715%0.14940%0.402CS..  trans-140.5168.9177.268.80000112.1H353 K355 T374 D380H353-C376 PolarHBondContact O-N 3.24Å; K355-C376 HydrophobicContact CB-CB 4.15Å; K355-C376 HydrophobicContact CD-CB 3.76Å; K355-C376 HydrophobicContact CG-CB 3.81Å; T374-C376 PolarHBondContact O-N 3.5Å; C376-D380 HydrophobicContact CB-CB 4.31Å
377S93.7Very high92.6Very high87 Ų8762 Ų6261%0.60838%0.379SS*.  trans-73.5146.3175.2-59.90000110.7G379 D380S377-G379 PolarHBondContact O-N 3.03Å; S377-D380 VanDerWaalsContact O-CB 3.31Å; S377-D380 WeakPolarHBondContact O-CB 3.32Å; S377-D380 PolarHBondContact O-N 3.2Å
378P92.4Very high92.8Very high85 Ų8564.2 Ų64.255%0.55238%0.38SS*.THydrogen-bonded Turntrans-57.2-24.8177.9-26.334.1000114.9
379G91.3Very high93.1Very high73 Ų7365 Ų6575%0.75339%0.385SS*.THydrogen-bonded Turntrans-87.13.4177.300000115.2S377S377-G379 PolarHBondContact O-N 3.03Å
380D92.9Very high93.3Very high42 Ų4268.5 Ų68.523%0.22540%0.403CS..  trans-71.4130.8176.9-166.7-43.5000109.2K355 C376 S377 A382 A383K355-D380 WeakPolarHBondContact CD-OD2 3.4Å; K355-D380 IonicContact NZ-OD2 2.8Å; K355-D380 PolarHBondContact NZ-OD2 3Å; C376-D380 HydrophobicContact CB-CB 4.31Å; S377-D380 VanDerWaalsContact O-CB 3.31Å; S377-D380 WeakPolarHBondContact O-CB 3.32Å; S377-D380 PolarHBondContact O-N 3.2Å; D380-A382 PolarHBondContact O-N 3.04Å; D380-A382 VanDerWaalsContact O-N 3.11Å; D380-A382 PolarHBondContact OD1-N 3.19Å; D380-A383 HydrophobicContact CB-CB 4.15Å; D380-A383 WeakPolarHBondContact O-CB 3.23Å; D380-A383 PolarHBondContact O-N 3.47Å
381P91.5Very high93.4Very high136 Ų13664.1 Ų64.188%0.88338%0.381SS*.THydrogen-bonded Turntrans-61.4-22-176.924-36.1000113.9
382A91.8Very high93.5Very high54 Ų5464 Ų6445%0.44638%0.383SS..THydrogen-bonded Turntrans-10013.4175.700000113.1K355 D380K355-A382 HydrophobicContact CB-CB 4.33Å; K355-A382 WeakPolarHBondContact CB-O 3.23Å; D380-A382 PolarHBondContact O-N 3.04Å; D380-A382 VanDerWaalsContact O-N 3.11Å; D380-A382 PolarHBondContact OD1-N 3.19Å
383A94.4Very high93.3Very high28 Ų2869.5 Ų69.523%0.23142%0.422CS..  trans-68.9132.2179.200000111.2H353 D380H353-A383 HydrophobicContact CB-CB 4.17Å; D380-A383 HydrophobicContact CB-CB 4.15Å; D380-A383 WeakPolarHBondContact O-CB 3.23Å; D380-A383 PolarHBondContact O-N 3.47Å
384I94.1Very high93.1Very high65 Ų6572.3 Ų72.333%0.33344%0.437SS..EExtended strand (participates in β ladder)trans-116.4121.7172.1-51.7166.9000106.2H353 F354 K356 M386H353-I384 CarbonylContact C-O 3.6Å; H353-I384 VanDerWaalsContact CA-O 3.3Å; H353-I384 WeakPolarHBondContact CA-O 3.38Å; F354-I384 PolarHBondContact N-O 3.12Å; F354-I384 WeakPolarHBondContact O-CB 3.21Å; F354-I384 PolarHBondContact O-N 3.42Å; K356-I384 HydrophobicContact CG-CD1 4.31Å; I384-M386 HydrophobicContact CB-CE 3.85Å; I384-M386 HydrophobicContact CD1-CE 4.36Å; I384-M386 HydrophobicContact CG2-CE 3.35Å; I384-M386 PolarHBondContact O-N 3.44Å
385E95.1Very high93Very high160 Ų16073.7 Ų73.775%0.74844%0.441SS*.EExtended strand (participates in β ladder)trans-68.3111.4175.8-170.2176.2-168.800109.2
386M93.3Very high92.9Very high40 Ų4074.6 Ų74.620%0.19745%0.445CS..  trans-165158.3176.763.7175.470.300109.6T352 F354 L373 I384 D390 V391T352-M386 CarbonylContact C-O 3.22Å; T352-M386 PolarHBondContact O-N 3.46Å; T352-M386 VanDerWaalsContact O-N 3.09Å; F354-M386 HydrophobicContact CB-CG 3.95Å; F354-M386 HydrophobicContact CB-SD 4.11Å; F354-M386 HydrophobicContact CD2-CG 3.68Å; F354-M386 WeakPolarHBondContact CD2-O 3.09Å; F354-M386 HydrophobicContact CG-CG 4.13Å; F354-M386 HydrophobicContact CG-SD 4.48Å; L373-M386 HydrophobicContact CD1-SD 3.91Å; I384-M386 HydrophobicContact CB-CE 3.85Å; I384-M386 HydrophobicContact CD1-CE 4.36Å; I384-M386 HydrophobicContact CG2-CE 3.35Å; I384-M386 PolarHBondContact O-N 3.44Å; M386-D390 HydrophobicContact CB-CB 4.25Å; M386-V391 HydrophobicContact SD-CG2 3.99Å
387T94.6Very high92.8Very high59 Ų5975.4 Ų75.436%0.36245%0.447SS..  trans-100.4166.717769.90000110.8L389 D390T387-L389 PolarHBondContact O-N 2.9Å; T387-L389 VanDerWaalsContact O-N 3.11Å; T387-L389 PolarHBondContact OG1-N 2.91Å; T387-D390 PolarHBondContact N-OD2 3.43Å; T387-D390 PolarHBondContact O-N 3.27Å; T387-D390 PolarHBondContact OG1-OD2 2.93Å
388W93.5Very high92.6Very high120 Ų12075.3 Ų75.346%0.45544%0.437SS..THydrogen-bonded Turntrans-59.8-21.3175.569.9-90.5000113.6V348 F354 D390 V391V348-W388 HydrophobicContact CG1-CB 3.88Å; F354-W388 HydrophobicContact CZ-CB 4.21Å; W388-D390 PolarHBondContact O-N 3.45Å; W388-V391 PolarHBondContact O-N 2.98Å
389L94.1Very high92.6Very high127 Ų12772.5 Ų72.567%0.66542%0.419SS*.THydrogen-bonded Turntrans-67.2-27.3175.6-69.3169.1000112.3T387T387-L389 PolarHBondContact O-N 2.9Å; T387-L389 VanDerWaalsContact O-N 3.11Å; T387-L389 PolarHBondContact OG1-N 2.91Å
390D94.2Very high92.7Very high103 Ų10373.2 Ų73.255%0.55141%0.405SS*.THydrogen-bonded Turntrans-89.2-13-177.3-50.5-59.7000112.1M386 T387 W388 P392M386-D390 HydrophobicContact CB-CB 4.25Å; T387-D390 PolarHBondContact N-OD2 3.43Å; T387-D390 PolarHBondContact O-N 3.27Å; T387-D390 PolarHBondContact OG1-OD2 2.93Å; W388-D390 PolarHBondContact O-N 3.45Å; D390-P392 WeakPolarHBondContact O-CD 3.4Å
391V92.9Very high92.8Very high18 Ų1871.4 Ų71.411%0.10940%0.395CS..SBendtrans-83.7122.3-177.2-179.70000110.2F354 L373 M386 W388 L396F354-V391 HydrophobicContact CD1-CG2 3.99Å; F354-V391 HydrophobicContact CD2-CG2 4.27Å; F354-V391 HydrophobicContact CE1-CG2 3.95Å; F354-V391 HydrophobicContact CE2-CG2 4.24Å; F354-V391 HydrophobicContact CG-CG2 4.16Å; F354-V391 HydrophobicContact CZ-CG2 4.08Å; L373-V391 HydrophobicContact CB-CG1 4.08Å; L373-V391 HydrophobicContact CD1-CG1 4.09Å; L373-V391 HydrophobicContact CD1-CG2 4.25Å; M386-V391 HydrophobicContact SD-CG2 3.99Å; W388-V391 PolarHBondContact O-N 2.98Å; V391-L396 HydrophobicContact CG1-CB 3.94Å; V391-L396 HydrophobicContact CG1-CD1 4.09Å
392P92.4Very high93Very high64 Ų6466.3 Ų66.342%0.41636%0.363SS..  trans-60141.4173.5-22.733.5000112D390 D394 K395 L396D390-P392 WeakPolarHBondContact O-CD 3.4Å; P392-D394 VanDerWaalsContact C-N 3.26Å; P392-D394 WeakPolarHBondContact CB-OD1 3.39Å; P392-D394 PolarHBondContact O-N 3.5Å; P392-K395 HydrophobicContact CB-CB 4.14Å; P392-K395 HydrophobicContact CB-CG 3.95Å; P392-K395 HydrophobicContact CG-CB 4.44Å; P392-K395 HydrophobicContact CG-CG 4.25Å; P392-K395 PolarHBondContact O-N 3.46Å; P392-L396 PolarHBondContact O-N 2.6Å
393S89.1Confident93.2Very high117 Ų11765.2 Ų65.282%0.81835%0.349SS*.THydrogen-bonded Turntrans-63.2-29.2-174.254.80000114
394D90.3Very high93.3Very high74 Ų7467.4 Ų67.440%0.39636%0.362SS..THydrogen-bonded Turntrans-83.2-11.417766.6-47.7000113.4R362 P392R362-D394 VanDerWaalsContact CG-O 3.24Å; R362-D394 WeakPolarHBondContact CG-O 3.37Å; P392-D394 VanDerWaalsContact C-N 3.26Å; P392-D394 WeakPolarHBondContact CB-OD1 3.39Å; P392-D394 PolarHBondContact O-N 3.5Å
395K91.9Very high93.4Very high47 Ų4764.3 Ų64.320%0.20435%0.346CS..THydrogen-bonded Turntrans-106.9-12.4-177.5-59.1-64.9169.7-178.30113.8D371 L372 L373 P392 L397D371-K395 IonicContact OD1-NZ 2.91Å; D371-K395 PolarHBondContact OD1-NZ 3.21Å; D371-K395 VanDerWaalsContact OD2-CE 3.28Å; D371-K395 WeakPolarHBondContact OD2-CE 3.38Å; D371-K395 IonicContact OD2-NZ 3.48Å; D371-K395 PolarHBondContact OD2-NZ 2.78Å; L372-K395 CarbonylContact C-O 3.59Å; L372-K395 WeakPolarHBondContact CA-O 3.31Å; L372-K395 HydrophobicContact CD2-CD 4.47Å; L373-K395 PolarHBondContact N-O 3.37Å; P392-K395 HydrophobicContact CB-CB 4.14Å; P392-K395 HydrophobicContact CB-CG 3.95Å; P392-K395 HydrophobicContact CG-CB 4.44Å; P392-K395 HydrophobicContact CG-CG 4.25Å; P392-K395 PolarHBondContact O-N 3.46Å; K395-L397 PolarHBondContact O-N 3.14Å
396L93.1Very high93.4Very high45 Ų4556.7 Ų56.724%0.23631%0.311CS..BIsolated β-bridgetrans-66129175.9-178.164.6000110.5V348 F354 R362 V391 P392V348-L396 HydrophobicContact CG1-CD1 3.99Å; V348-L396 HydrophobicContact CG1-CD2 4.1Å; V348-L396 HydrophobicContact CG2-CD1 4.3Å; F354-L396 HydrophobicContact CE1-CD1 3.97Å; R362-L396 PolarHBondContact NE-O 3.02Å; R362-L396 PolarHBondContact NH2-O 3.37Å; V391-L396 HydrophobicContact CG1-CB 3.94Å; V391-L396 HydrophobicContact CG1-CD1 4.09Å; P392-L396 PolarHBondContact O-N 2.6Å
397L92.1Very high93.6Very high39 Ų3958 Ų5820%0.20432%0.318CS..  trans-110.5105.1165.8-175.268.2000109.8V357 L372 L373 T374 K395V357-L397 HydrophobicContact CG2-CB 4.43Å; V357-L397 HydrophobicContact CG2-CD2 3.54Å; L372-L397 HydrophobicContact CB-CB 3.98Å; L372-L397 HydrophobicContact CD1-CB 4.19Å; L372-L397 HydrophobicContact CD1-CD1 4.09Å; L372-L397 HydrophobicContact CD1-CD2 4.35Å; L372-L397 HydrophobicContact CD1-CG 4.45Å; L373-L397 PolarHBondContact O-N 3.38Å; T374-L397 WeakPolarHBondContact CB-O 3.16Å; T374-L397 PolarHBondContact OG1-O 2.93Å; K395-L397 PolarHBondContact O-N 3.14Å
398E90.5Very high93.6Very high85 Ų8561.5 Ų61.540%0.39733%0.325SS..PPolyproline II helixtrans-61.1140.6175.259-81.7173.600111.8R362R362-E398 IonicContact CZ-OE1 2.82Å; R362-E398 IonicContact CZ-OE2 3.37Å; R362-E398 VanDerWaalsContact CZ-OE2 3.31Å; R362-E398 IonicContact NH1-OE1 2.96Å; R362-E398 PolarHBondContact NH1-OE1 3.45Å; R362-E398 IonicContact NH1-OE2 3.24Å; R362-E398 PolarHBondContact NH1-OE2 3.5Å; R362-E398 IonicContact NH2-OE1 2.66Å; R362-E398 PolarHBondContact NH2-OE1 3.27Å; R362-E398 IonicContact NH2-OE2 3.49Å; R362-E398 PolarHBondContact NH2-OE2 2.98Å
399P92.6Very high93.7Very high26 Ų2655.8 Ų55.817%0.16930%0.303CS..PPolyproline II helixtrans-57.3143.3165-22.333000110.8P344 P375P344-P399 HydrophobicContact CB-CB 4.26Å; P344-P399 WeakPolarHBondContact CB-O 3.47Å; P344-P399 WeakPolarHBondContact CG-O 3.49Å; P375-P399 HydrophobicContact CG-CG 4.14Å
400I93.3Very high93.8Very high88 Ų8850.8 Ų50.845%0.45128%0.277SS..PPolyproline II helixtrans-78.5152.1171.663.4177.8000110.8P310P310-I400 HydrophobicContact CB-CG2 4Å
401V95.1Very high93.8Very high4 Ų449.8 Ų49.82%0.02428%0.278CS..BIsolated β-bridgetrans-71.2133.4175.31790000109.6H311 S312 A340 L341 P344 D405 M406H311-V401 WeakPolarHBondContact CA-O 3.45Å; H311-V401 HydrophobicContact CB-CB 4.3Å; H311-V401 WeakPolarHBondContact CB-O 3.4Å; S312-V401 PolarHBondContact N-O 3.27Å; A340-V401 HydrophobicContact CB-CG1 4.34Å; L341-V401 HydrophobicContact CD2-CG2 4Å; P344-V401 HydrophobicContact CG-CG2 3.71Å; V401-D405 HydrophobicContact CG1-CB 4.26Å; V401-M406 HydrophobicContact CG1-SD 4.44Å
402C95.1Very high93.7Very high30 Ų3053.4 Ų53.420%0.20330%0.3CS..  trans-127.9173.4-178.267.10000112.5S312 S404 D405 M406S312-C402 WeakPolarHBondContact OG-CA 3.44Å; S312-C402 WeakPolarHBondContact OG-CB 3.49Å; C402-S404 PolarHBondContact O-N 3.1Å; C402-S404 PolarHBondContact SG-OG 2.95Å; C402-D405 PolarHBondContact N-OD2 3.16Å; C402-D405 WeakPolarHBondContact O-CB 3.48Å; C402-D405 PolarHBondContact O-N 3.48Å; C402-D405 VanDerWaalsContact O-N 3.07Å; C402-D405 PolarHBondContact SG-OD2 3.43Å; C402-M406 PolarHBondContact O-N 3.33Å
403M96.4Very high93.7Very high31 Ų3151.4 Ų51.415%0.15329%0.287CS..Hα-helixtrans-59.8-33.4-176.5-173.857.9166.100112.8L313 D317 E320 L321 D405 M406 L407L313-M403 HydrophobicContact CD2-CB 3.83Å; L313-M403 HydrophobicContact CD2-SD 4.14Å; D317-M403 HydrophobicContact CB-SD 4.18Å; E320-M403 HydrophobicContact CB-CE 4.27Å; E320-M403 HydrophobicContact CG-CE 4.27Å; L321-M403 HydrophobicContact CD1-SD 4.12Å; L321-M403 HydrophobicContact CD2-CE 3.86Å; L321-M403 HydrophobicContact CD2-SD 3.84Å; L321-M403 HydrophobicContact CG-CE 3.91Å; L321-M403 HydrophobicContact CG-SD 3.89Å; M403-D405 VanDerWaalsContact C-N 3.31Å; M403-D405 PolarHBondContact O-N 3.23Å; M403-M406 PolarHBondContact O-N 3.05Å; M403-M406 HydrophobicContact SD-CB 4.49Å; M403-L407 HydrophobicContact CE-CD1 4.4Å; M403-L407 HydrophobicContact CE-CD2 4.12Å; M403-L407 HydrophobicContact CE-CG 4.22Å; M403-L407 HydrophobicContact CG-CD1 4.13Å; M403-L407 HydrophobicContact CG-CG 4.3Å; M403-L407 WeakPolarHBondContact O-CB 3.31Å; M403-L407 WeakPolarHBondContact O-CG 3.24Å; M403-L407 PolarHBondContact O-N 2.64Å; M403-L407 HydrophobicContact SD-CG 4.35Å
404S95.8Very high93.8Very high73 Ų7355.2 Ų55.251%0.5128%0.283SS..Hα-helixtrans-67.1-32.3177.765.60000112.8C402 R408C402-S404 PolarHBondContact O-N 3.1Å; C402-S404 PolarHBondContact SG-OG 2.95Å; S404-R408 VanDerWaalsContact O-CB 3.3Å; S404-R408 WeakPolarHBondContact O-CB 3.41Å; S404-R408 PolarHBondContact O-N 2.77Å
405D95.8Very high93.9Very high1 Ų154.3 Ų54.31%0.00528%0.282CS..Hα-helixtrans-68.2-42174.6-63.5-42.5000110.8Q343 K347 V401 C402 M403 R408 S409Q343-D405 HydrophobicContact CB-CB 3.94Å; Q343-D405 WeakPolarHBondContact CB-OD1 3.43Å; Q343-D405 HydrophobicContact CG-CB 3.86Å; K347-D405 VanDerWaalsContact CE-OD1 3.3Å; K347-D405 WeakPolarHBondContact CE-OD1 3.39Å; K347-D405 IonicContact NZ-OD1 2.71Å; K347-D405 PolarHBondContact NZ-OD1 2.94Å; K347-D405 IonicContact NZ-OD2 3.92Å; K347-D405 PolarHBondContact NZ-OD2 3.28Å; V401-D405 HydrophobicContact CG1-CB 4.26Å; C402-D405 PolarHBondContact N-OD2 3.16Å; C402-D405 WeakPolarHBondContact O-CB 3.48Å; C402-D405 PolarHBondContact O-N 3.48Å; C402-D405 VanDerWaalsContact O-N 3.07Å; C402-D405 PolarHBondContact SG-OD2 3.43Å; M403-D405 VanDerWaalsContact C-N 3.31Å; M403-D405 PolarHBondContact O-N 3.23Å; D405-R408 PolarHBondContact O-N 3.05Å; D405-S409 PolarHBondContact O-N 3.46Å
406M96.4Very high93.8Very high0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-63.8-46.1175.2-64.5-63.4-71.600112F302 L313 L321 I336 V337 A340 V401 C402 M403 S409 L410F302-M406 HydrophobicContact CD1-CE 3.45Å; F302-M406 VanDerWaalsContact CD1-CE 3.45Å; F302-M406 HydrophobicContact CE1-CE 3.49Å; F302-M406 VanDerWaalsContact CE1-CE 3.49Å; L313-M406 HydrophobicContact CD1-CG 3.79Å; L313-M406 HydrophobicContact CD1-SD 4.3Å; L313-M406 HydrophobicContact CD2-CG 4.28Å; L321-M406 HydrophobicContact CD1-CB 4.04Å; L321-M406 HydrophobicContact CD1-CE 3.61Å; L321-M406 HydrophobicContact CD1-CG 4.07Å; L321-M406 HydrophobicContact CD2-CB 3.9Å; I336-M406 HydrophobicContact CG2-CE 4.38Å; V337-M406 HydrophobicContact CG2-CE 3.95Å; A340-M406 HydrophobicContact CB-CG 4.32Å; A340-M406 HydrophobicContact CB-SD 3.3Å; A340-M406 WeakPolarHBondContact CB-SD 3.48Å; V401-M406 HydrophobicContact CG1-SD 4.44Å; C402-M406 PolarHBondContact O-N 3.33Å; M403-M406 PolarHBondContact O-N 3.05Å; M403-M406 HydrophobicContact SD-CB 4.49Å; M406-S409 PolarHBondContact O-N 2.77Å; M406-L410 WeakPolarHBondContact O-CB 3.3Å; M406-L410 PolarHBondContact O-N 2.71Å
407L96.6Very high93.6Very high67 Ų6755.3 Ų55.335%0.35129%0.293SS..Hα-helixtrans-66.3-37.4178.9-70.9176.4000112.3L321 K324 M403 L410 S411L321-L407 HydrophobicContact CD2-CD2 4.36Å; K324-L407 HydrophobicContact CD-CD2 3.88Å; M403-L407 HydrophobicContact CE-CD1 4.4Å; M403-L407 HydrophobicContact CE-CD2 4.12Å; M403-L407 HydrophobicContact CE-CG 4.22Å; M403-L407 HydrophobicContact CG-CD1 4.13Å; M403-L407 HydrophobicContact CG-CG 4.3Å; M403-L407 WeakPolarHBondContact O-CB 3.31Å; M403-L407 WeakPolarHBondContact O-CG 3.24Å; M403-L407 PolarHBondContact O-N 2.64Å; M403-L407 HydrophobicContact SD-CG 4.35Å; L407-L410 HydrophobicContact CD2-CD2 4.46Å; L407-L410 PolarHBondContact O-N 3.36Å; L407-S411 PolarHBondContact O-N 3.04Å
408R95.3Very high93.5Very high133 Ų13356.8 Ų56.850%0.50230%0.301SS..Hα-helixtrans-60.1-50172.3178.4-177.2-66.8178.8-4.8110.4S404 D405 L410 S411 T412S404-R408 VanDerWaalsContact O-CB 3.3Å; S404-R408 WeakPolarHBondContact O-CB 3.41Å; S404-R408 PolarHBondContact O-N 2.77Å; D405-R408 PolarHBondContact O-N 3.05Å; R408-L410 VanDerWaalsContact C-N 3.34Å; R408-L410 PolarHBondContact O-N 3.38Å; R408-S411 PolarHBondContact O-N 3.28Å; R408-S411 VanDerWaalsContact O-N 3.16Å; R408-S411 PolarHBondContact O-OG 3.44Å; R408-T412 PolarHBondContact O-N 2.95Å
409S95.8Very high93.5Very high0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-60.1-45.8179.1-167.90000111.7I336 D339 D405 M406 S411 T412 T413I336-S409 WeakPolarHBondContact CA-OG 3Å; I336-S409 PolarHBondContact O-OG 3.5Å; D339-S409 VanDerWaalsContact CB-OG 3.31Å; D339-S409 WeakPolarHBondContact CB-OG 3.49Å; D339-S409 VanDerWaalsContact OD2-CB 3.27Å; D339-S409 WeakPolarHBondContact OD2-CB 3.49Å; D339-S409 PolarHBondContact OD2-OG 2.89Å; D405-S409 PolarHBondContact O-N 3.46Å; M406-S409 PolarHBondContact O-N 2.77Å; S409-S411 VanDerWaalsContact C-N 3.28Å; S409-S411 PolarHBondContact O-N 3.06Å; S409-T412 PolarHBondContact O-N 2.97Å; S409-T412 PolarHBondContact O-OG1 2.96Å; S409-T413 PolarHBondContact O-N 3.36Å; S409-T413 PolarHBondContact O-OG1 2.94Å
410L95.1Very high93.3Very high21 Ų2162.8 Ų62.811%0.1134%0.335CS..Hα-helixtrans-57.6-38.4175.117960.1000112.9K324 T325 Y328 I336 M406 L407 R408 T412 T413K324-L410 HydrophobicContact CB-CD2 3.74Å; K324-L410 HydrophobicContact CD-CD2 4.2Å; T325-L410 HydrophobicContact CG2-CD1 3.63Å; T325-L410 HydrophobicContact CG2-CD2 4.44Å; Y328-L410 HydrophobicContact CE1-CD1 4.12Å; I336-L410 HydrophobicContact CD1-CD1 3.82Å; M406-L410 WeakPolarHBondContact O-CB 3.3Å; M406-L410 PolarHBondContact O-N 2.71Å; L407-L410 HydrophobicContact CD2-CD2 4.46Å; L407-L410 PolarHBondContact O-N 3.36Å; R408-L410 VanDerWaalsContact C-N 3.34Å; R408-L410 PolarHBondContact O-N 3.38Å; L410-T412 PolarHBondContact O-N 3.25Å; L410-T413 PolarHBondContact O-N 2.93Å; L410-T413 VanDerWaalsContact O-O 3.1Å
411S93.8Very high93.1Very high82 Ų8261 Ų6157%0.57333%0.327SS*.Hα-helixtrans-65.8-26.6178.775.10000113.4L407 R408 S409L407-S411 PolarHBondContact O-N 3.04Å; R408-S411 PolarHBondContact O-N 3.28Å; R408-S411 VanDerWaalsContact O-N 3.16Å; R408-S411 PolarHBondContact O-OG 3.44Å; S409-S411 VanDerWaalsContact C-N 3.28Å; S409-S411 PolarHBondContact O-N 3.06Å
412T91.6Very high92.8Very high95 Ų9563.3 Ų63.358%0.58334%0.338SS*.Hα-helixtrans-91.3-25.9179.655.40000113.2R408 S409 L410R408-T412 PolarHBondContact O-N 2.95Å; S409-T412 PolarHBondContact O-N 2.97Å; S409-T412 PolarHBondContact O-OG1 2.96Å; L410-T412 PolarHBondContact O-N 3.25Å
413T92.6Very high92.7Very high21 Ų2167.4 Ų67.413%0.12936%0.358CS..PPolyproline II helixtrans-93.9121.7-178.2-530000111.3Y328 I335 I336 S409 L410Y328-T413 HydrophobicContact CE1-CG2 4.32Å; Y328-T413 PolarHBondContact OH-O 2.9Å; I335-T413 HydrophobicContact CG2-CG2 4.43Å; I336-T413 HydrophobicContact CD1-CG2 4.4Å; I336-T413 HydrophobicContact CG1-CG2 3.91Å; S409-T413 PolarHBondContact O-N 3.36Å; S409-T413 PolarHBondContact O-OG1 2.94Å; L410-T413 PolarHBondContact O-N 2.93Å; L410-T413 VanDerWaalsContact O-O 3.1Å
414R90.7Very high92.5Very high197 Ų19770.4 Ų70.474%0.74337%0.37SS*.PPolyproline II helixtrans-95.4151.7172.5-63.3-62.7-174.8176.3-0.6110.5
415P91.7Very high92.2Very high56 Ų5667 Ų6736%0.36435%0.346SS..PPolyproline II helixtrans-64.9136.6175.327.8-33.4000110.2Y328Y328-P415 HydrophobicContact CD2-CB 4Å; Y328-P415 HydrophobicContact CE2-CB 3.99Å; Y328-P415 HydrophobicContact CE2-CG 4.14Å; Y328-P415 HydrophobicContact CG-CB 4.33Å
416T89.9Confident91.9Very high98 Ų9872.9 Ų72.960%0.60137%0.372SS*.SBendtrans-81.7-24.2-177.2-58.40000112.5D332D332-T416 WeakPolarHBondContact OD1-CB 3.5Å; D332-T416 PolarHBondContact OD1-OG1 3.24Å; D332-T416 PolarHBondContact OD2-N 3.35Å
417V90.1Very high91.8Very high14 Ų1479.5 Ų79.59%0.08540%0.4CS..  trans-92.1122.7-177.1-177.10000110.1P167 P168 L292 L422P167-V417 HydrophobicContact CB-CG1 3.88Å; P167-V417 HydrophobicContact CB-CG2 3.87Å; P167-V417 HydrophobicContact CG-CG1 4.31Å; P168-V417 HydrophobicContact CG-CG2 4.29Å; L292-V417 HydrophobicContact CD1-CG1 4.34Å; L292-V417 HydrophobicContact CD2-CB 4.49Å; L292-V417 HydrophobicContact CD2-CG2 4.16Å; V417-L422 HydrophobicContact CG1-CD1 4.46Å; V417-L422 HydrophobicContact CG1-CD2 3.86Å; V417-L422 HydrophobicContact CG1-CG 3.93Å
418N90.3Very high91.4Very high70 Ų7076.5 Ų76.537%0.37438%0.384SS..  trans-88.1165.8176.368.439.6000111.5E420 D421 L422N418-E420 PolarHBondContact OD1-N 3.44Å; N418-E420 VanDerWaalsContact OD1-N 3.16Å; N418-D421 VanDerWaalsContact CG-OD2 3.24Å; N418-D421 PolarHBondContact ND2-OD2 3.42Å; N418-D421 VanDerWaalsContact OD1-CB 3.23Å; N418-D421 WeakPolarHBondContact OD1-CB 3.3Å; N418-D421 PolarHBondContact OD1-N 3.03Å; N418-D421 PolarHBondContact OD1-OD2 3.47Å; N418-D421 VanDerWaalsContact OD1-OD2 3.05Å; N418-L422 WeakPolarHBondContact O-CG 3.36Å; N418-L422 PolarHBondContact O-N 2.92Å
419T89.5Confident91.1Very high110 Ų11071.9 Ų71.968%0.67537%0.371SS*.Hα-helixtrans-69.6-29.7178.642.10000113.4L422 L423T419-L422 PolarHBondContact O-N 3.37Å; T419-L423 WeakPolarHBondContact O-CG 3.48Å; T419-L423 PolarHBondContact O-N 3.16Å
420E89.4Confident90.7Very high127 Ų12777.4 Ų77.459%0.59340%0.401SS*.Hα-helixtrans-66.7-39.9179.7-64.6-175.5-179.100112.6N418 L422 L423 K424N418-E420 PolarHBondContact OD1-N 3.44Å; N418-E420 VanDerWaalsContact OD1-N 3.16Å; E420-L422 VanDerWaalsContact C-N 3.33Å; E420-L423 WeakPolarHBondContact O-CB 3.41Å; E420-L423 PolarHBondContact O-N 3.39Å; E420-K424 WeakPolarHBondContact O-CG 3.47Å; E420-K424 PolarHBondContact O-N 3.14Å
421D88.2Confident90.3Very high52 Ų5281 Ų8128%0.27842%0.42SS..Hα-helixtrans-67.5-39.1177.2-67.4-29.4000110N418 L423 K424 V425N418-D421 VanDerWaalsContact CG-OD2 3.24Å; N418-D421 PolarHBondContact ND2-OD2 3.42Å; N418-D421 VanDerWaalsContact OD1-CB 3.23Å; N418-D421 WeakPolarHBondContact OD1-CB 3.3Å; N418-D421 PolarHBondContact OD1-N 3.03Å; N418-D421 PolarHBondContact OD1-OD2 3.47Å; N418-D421 VanDerWaalsContact OD1-OD2 3.05Å; D421-L423 VanDerWaalsContact C-N 3.32Å; D421-L423 PolarHBondContact O-N 3.37Å; D421-K424 PolarHBondContact O-N 2.68Å; D421-K424 IonicContact OD1-NZ 3.75Å; D421-K424 PolarHBondContact OD1-NZ 3.34Å; D421-V425 VanDerWaalsContact O-CG2 3.27Å; D421-V425 WeakPolarHBondContact O-CG2 3.32Å; D421-V425 PolarHBondContact O-N 3.29Å
422L89.9Confident89.8Confident51 Ų5181.1 Ų81.127%0.26741%0.41SS..Hα-helixtrans-61.4-39.5172.2-65176.3000112.1P167 L292 V417 N418 T419 E420 V425 K426P167-L422 HydrophobicContact CG-CD2 3.61Å; L292-L422 HydrophobicContact CD1-CD1 3.98Å; L292-L422 HydrophobicContact CD1-CD2 3.88Å; L292-L422 HydrophobicContact CG-CD2 4.34Å; V417-L422 HydrophobicContact CG1-CD1 4.46Å; V417-L422 HydrophobicContact CG1-CD2 3.86Å; V417-L422 HydrophobicContact CG1-CG 3.93Å; N418-L422 WeakPolarHBondContact O-CG 3.36Å; N418-L422 PolarHBondContact O-N 2.92Å; T419-L422 PolarHBondContact O-N 3.37Å; E420-L422 VanDerWaalsContact C-N 3.33Å; L422-V425 PolarHBondContact O-N 3.24Å; L422-K426 VanDerWaalsContact O-CB 3.29Å; L422-K426 WeakPolarHBondContact O-CB 3.3Å; L422-K426 PolarHBondContact O-N 2.88Å
423L92.3Very high88.6Confident117 Ų11777.7 Ų77.761%0.61339%0.394SS*.Hα-helixtrans-64.5-41.2175.7-71.4172.3000112T419 E420 D421 K426 K427T419-L423 WeakPolarHBondContact O-CG 3.48Å; T419-L423 PolarHBondContact O-N 3.16Å; E420-L423 WeakPolarHBondContact O-CB 3.41Å; E420-L423 PolarHBondContact O-N 3.39Å; D421-L423 VanDerWaalsContact C-N 3.32Å; D421-L423 PolarHBondContact O-N 3.37Å; L423-K426 PolarHBondContact O-N 3.37Å; L423-K427 WeakPolarHBondContact O-CB 3.32Å; L423-K427 PolarHBondContact O-N 3.23Å
424K91.9Very high87.1Confident93 Ų9380.7 Ų80.740%0.40441%0.407SS..Hα-helixtrans-64.7-43.1175.9-67.3170.7-167.4156.30111.7W274 E420 D421 K427 F428W274-K424 HydrophobicContact CD2-CB 4.39Å; W274-K424 HydrophobicContact CE3-CB 3.9Å; W274-K424 HydrophobicContact CH2-CB 3.65Å; W274-K424 HydrophobicContact CH2-CD 3.99Å; W274-K424 HydrophobicContact CH2-CG 4.49Å; W274-K424 HydrophobicContact CZ2-CB 4.16Å; W274-K424 HydrophobicContact CZ2-CD 3.78Å; W274-K424 HydrophobicContact CZ3-CB 3.5Å; E420-K424 WeakPolarHBondContact O-CG 3.47Å; E420-K424 PolarHBondContact O-N 3.14Å; D421-K424 PolarHBondContact O-N 2.68Å; D421-K424 IonicContact OD1-NZ 3.75Å; D421-K424 PolarHBondContact OD1-NZ 3.34Å; K424-K427 PolarHBondContact O-N 3.11Å; K424-F428 PolarHBondContact O-N 3.07Å
425V90Very high85.1Confident3 Ų380.5 Ų80.52%0.01842%0.415CS..Hα-helixtrans-64.6-43.5177174.50000110.7F165 W274 Y289 D421 L422 F428 T429F165-V425 HydrophobicContact CD2-CG1 4.44Å; F165-V425 HydrophobicContact CE2-CG1 4.33Å; W274-V425 HydrophobicContact CH2-CG2 4.32Å; W274-V425 HydrophobicContact CZ3-CG2 3.77Å; Y289-V425 HydrophobicContact CD2-CG1 3.88Å; Y289-V425 HydrophobicContact CE2-CG1 3.28Å; D421-V425 VanDerWaalsContact O-CG2 3.27Å; D421-V425 WeakPolarHBondContact O-CG2 3.32Å; D421-V425 PolarHBondContact O-N 3.29Å; L422-V425 PolarHBondContact O-N 3.24Å; V425-F428 PolarHBondContact O-N 2.98Å; V425-T429 WeakPolarHBondContact O-CB 3.45Å; V425-T429 PolarHBondContact O-N 2.77Å; V425-T429 PolarHBondContact O-OG1 3.45Å
426K89.8Confident82.6Confident124 Ų12481.3 Ų81.354%0.53943%0.434SS..Hα-helixtrans-59.4-49.7175.6-176.2176.8-179.8178.30111.1L422 L423 F428 T429 D430L422-K426 VanDerWaalsContact O-CB 3.29Å; L422-K426 WeakPolarHBondContact O-CB 3.3Å; L422-K426 PolarHBondContact O-N 2.88Å; L423-K426 PolarHBondContact O-N 3.37Å; K426-F428 VanDerWaalsContact C-N 3.31Å; K426-F428 PolarHBondContact O-N 3.38Å; K426-T429 CarbonylContact O-C 3.57Å; K426-T429 WeakPolarHBondContact O-CA 3.36Å; K426-T429 WeakPolarHBondContact O-CB 2.87Å; K426-T429 PolarHBondContact O-N 2.9Å; K426-D430 VanDerWaalsContact O-CG 3.3Å; K426-D430 PolarHBondContact O-N 2.92Å
427K92.5Very high82.2Confident138 Ų13880.5 Ų80.560%0.643%0.425SS*.Hα-helixtrans-55.7-45.9175.8-176.3177.6-179.8178.70112L423 K424 T429 D430 D431L423-K427 WeakPolarHBondContact O-CB 3.32Å; L423-K427 PolarHBondContact O-N 3.23Å; K424-K427 PolarHBondContact O-N 3.11Å; K427-T429 VanDerWaalsContact C-N 3.28Å; K427-T429 PolarHBondContact O-N 3.17Å; K427-D430 PolarHBondContact O-N 2.94Å; K427-D431 WeakPolarHBondContact O-CB 3.48Å; K427-D431 PolarHBondContact O-N 3.11Å
428F89.9Confident81.8Confident5 Ų584 Ų842%0.02244%0.443CS..Hα-helixtrans-63-36.6175.8-177.7-87.1000112.4F165 P273 W274 K424 V425 K426 F432 G433F165-F428 HydrophobicContact CD1-CE1 4.47Å; F165-F428 HydrophobicContact CD2-CD1 4.08Å; F165-F428 HydrophobicContact CD2-CE1 4.35Å; F165-F428 HydrophobicContact CE1-CE1 4.33Å; F165-F428 AromaticContact CE2-CD1 3.75Å; F165-F428 HydrophobicContact CE2-CD1 3.75Å; F165-F428 HydrophobicContact CE2-CE1 4.2Å; F165-F428 HydrophobicContact CG-CE1 4.46Å; F165-F428 HydrophobicContact CZ-CD1 4.04Å; F165-F428 HydrophobicContact CZ-CE1 4.18Å; P273-F428 HydrophobicContact CB-CD1 3.73Å; P273-F428 HydrophobicContact CB-CD2 4.08Å; P273-F428 HydrophobicContact CB-CE1 3.54Å; P273-F428 HydrophobicContact CB-CE2 3.89Å; P273-F428 HydrophobicContact CB-CG 4.01Å; P273-F428 HydrophobicContact CB-CZ 3.63Å; P273-F428 HydrophobicContact CG-CB 4.22Å; P273-F428 HydrophobicContact CG-CD1 3.56Å; P273-F428 HydrophobicContact CG-CD2 4.12Å; P273-F428 HydrophobicContact CG-CE1 3.93Å; P273-F428 HydrophobicContact CG-CE2 4.43Å; P273-F428 HydrophobicContact CG-CG 3.68Å; P273-F428 HydrophobicContact CG-CZ 4.35Å; P273-F428 VanDerWaalsContact O-CE2 3.3Å; P273-F428 WeakPolarHBondContact O-CE2 3.46Å; W274-F428 HydrophobicContact CB-CD2 4.22Å; K424-F428 PolarHBondContact O-N 3.07Å; V425-F428 PolarHBondContact O-N 2.98Å; K426-F428 VanDerWaalsContact C-N 3.31Å; K426-F428 PolarHBondContact O-N 3.38Å; F428-F432 HydrophobicContact CD2-CB 4.47Å; F428-F432 AromaticContact CD2-CD2 3.76Å; F428-F432 HydrophobicContact CD2-CD2 3.76Å; F428-F432 HydrophobicContact CE1-CB 4.1Å; F428-F432 HydrophobicContact CE2-CB 4.08Å; F428-F432 AromaticContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CG 4.19Å; F428-F432 HydrophobicContact CG-CD2 4.43Å; F428-F432 HydrophobicContact CZ-CB 3.86Å; F428-F432 HydrophobicContact CZ-CD2 4.42Å; F428-F432 HydrophobicContact CZ-CG 4.43Å; F428-F432 WeakPolarHBondContact O-CA 3.07Å; F428-F432 WeakPolarHBondContact O-CB 3.31Å; F428-F432 PolarHBondContact O-N 3.01Å; F428-G433 PolarHBondContact O-N 3.41Å
429T87.9Confident81.3Confident35 Ų3584.8 Ų84.822%0.21545%0.447CS..Hα-helixtrans-66.4-43.9177.5-52.40000110.8F165 Y289 V425 K426 K427 G433F165-T429 WeakPolarHBondContact CE2-OG1 3.49Å; F165-T429 HydrophobicContact CZ-CG2 4.45Å; Y289-T429 HydrophobicContact CG-CG2 4.49Å; V425-T429 WeakPolarHBondContact O-CB 3.45Å; V425-T429 PolarHBondContact O-N 2.77Å; V425-T429 PolarHBondContact O-OG1 3.45Å; K426-T429 CarbonylContact O-C 3.57Å; K426-T429 WeakPolarHBondContact O-CA 3.36Å; K426-T429 WeakPolarHBondContact O-CB 2.87Å; K426-T429 PolarHBondContact O-N 2.9Å; K427-T429 VanDerWaalsContact C-N 3.28Å; K427-T429 PolarHBondContact O-N 3.17Å; T429-G433 WeakPolarHBondContact O-CA 3.3Å; T429-G433 PolarHBondContact O-N 3.31Å
430D88.2Confident80.8Confident117 Ų11783.3 Ų83.363%0.62643%0.434SS*.Hα-helixtrans-66.2-39.8177.7-61.3-19.4000111.4K426 K427K426-D430 VanDerWaalsContact O-CG 3.3Å; K426-D430 PolarHBondContact O-N 2.92Å; K427-D430 PolarHBondContact O-N 2.94Å
431D86.8Confident80.3Confident96 Ų9680.6 Ų80.651%0.51342%0.424SS..Hα-helixtrans-79.1-36.2-177.4-69.3-19.9000113.4K427K427-D431 WeakPolarHBondContact O-CB 3.48Å; K427-D431 PolarHBondContact O-N 3.11Å
432F82.4Confident79.7Confident84 Ų8482.5 Ų82.537%0.36843%0.433SS..Hα-helixtrans-141.8-7.1-165.2-59.3-69.1000115R281 R287 F428R281-F432 VanDerWaalsContact NH1-CE2 3.31Å; R287-F432 WeakPolarHBondContact CD-O 3.49Å; R287-F432 PolarHBondContact NH1-O 2.8Å; F428-F432 HydrophobicContact CD2-CB 4.47Å; F428-F432 AromaticContact CD2-CD2 3.76Å; F428-F432 HydrophobicContact CD2-CD2 3.76Å; F428-F432 HydrophobicContact CE1-CB 4.1Å; F428-F432 HydrophobicContact CE2-CB 4.08Å; F428-F432 AromaticContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CG 4.19Å; F428-F432 HydrophobicContact CG-CD2 4.43Å; F428-F432 HydrophobicContact CZ-CB 3.86Å; F428-F432 HydrophobicContact CZ-CD2 4.42Å; F428-F432 HydrophobicContact CZ-CG 4.43Å; F428-F432 WeakPolarHBondContact O-CA 3.07Å; F428-F432 WeakPolarHBondContact O-CB 3.31Å; F428-F432 PolarHBondContact O-N 3.01Å
433G67.3Low79Confident23 Ų2384.7 Ų84.724%0.23745%0.445CS..  trans-65.3146.2174.400000110F428 T429F428-G433 PolarHBondContact O-N 3.41Å; T429-G433 WeakPolarHBondContact O-CA 3.3Å; T429-G433 PolarHBondContact O-N 3.31Å
434M61.4Low78Confident85 Ų8582.2 Ų82.242%0.41943%0.432SS..  trans-107.1129.4158.6-73.7-158.2-94.900106E285 G436E285-M434 WeakPolarHBondContact O-CE 3.42Å; M434-G436 PolarHBondContact O-N 3.09Å; M434-G436 VanDerWaalsContact O-N 3.17Å
435E47.5Very low76.8Confident192 Ų19281.3 Ų81.390%0.89744%0.435SS*.  trans-53.8125.8167.5-71.9-179.5161.200107.6K286K286-E435 PolarHBondContact NZ-O 2.81Å
436G38.3Very low75.6Confident74 Ų7488.5 Ų88.576%0.76347%0.473SS*.  trans-94.20165.300000106.8M434M434-G436 PolarHBondContact O-N 3.09Å; M434-G436 VanDerWaalsContact O-N 3.17Å

Retrieved 436 of 436 residues in 154 ms (Link to these results)

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