A0A096N4D7_PAPAN Loading...

RNA-binding protein RO60

AlphaFold DB , UniProt , Accession A0A096N4D7, Species PAPAN (Papio anubis, Olive baboon), Gene RO60, Length 538 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
1M38.3Very low71.1Confident240 Ų240101.8 Ų101.8100%1.18252%0.523SS*.  097.80-75.7179.1-81.400105E3M1-E3 PolarHBondContact O-N 3.36Å
2E42.2Very low72.5Confident195 Ų19597.9 Ų97.991%0.91150%0.504SS*.  trans-60.3128.3166.5-76.4173.9155.500106.2S4E2-S4 PolarHBondContact O-N 3.27Å
3E48.3Very low73.6Confident194 Ų194105.9 Ų105.991%0.90754%0.538SS*.  trans-57.5111.3174.4-79.4178.5148.900107.9M1 V5M1-E3 PolarHBondContact O-N 3.36Å; E3-V5 PolarHBondContact O-N 3.47Å; E3-V5 VanDerWaalsContact O-N 3.08Å
4S61.9Low74.5Confident78 Ų78106.6 Ų106.655%0.54554%0.535SS..  trans-67.5111.4178.258.30000108.4E2 N6E2-S4 PolarHBondContact O-N 3.27Å; S4-N6 PolarHBondContact O-N 3.06Å
5V79.3Confident75.3Confident54 Ų54100.4 Ų100.433%0.32750%0.504SS..  trans-58119.6175.2-177.40000108.3E3 Q9 L11E3-V5 PolarHBondContact O-N 3.47Å; E3-V5 VanDerWaalsContact O-N 3.08Å; V5-Q9 HydrophobicContact CG1-CB 3.52Å; V5-L11 HydrophobicContact CB-CD2 4.2Å; V5-L11 HydrophobicContact CG1-CD2 4.37Å
6N84.8Confident76Confident58 Ų5897.9 Ų97.931%0.3149%0.492SS..  trans-79.2170.3-178.669.330.2000111.4S4 M8 Q9 G476 H478S4-N6 PolarHBondContact O-N 3.06Å; N6-M8 PolarHBondContact O-N 3.13Å; N6-M8 VanDerWaalsContact O-N 3.15Å; N6-M8 WeakPolarHBondContact OD1-CA 3.5Å; N6-M8 WeakPolarHBondContact OD1-CB 3.36Å; N6-M8 PolarHBondContact OD1-N 3.15Å; N6-Q9 PolarHBondContact O-N 3.4Å; N6-Q9 VanDerWaalsContact O-O 3.05Å; N6-Q9 PolarHBondContact OD1-N 3.25Å; N6-G476 WeakPolarHBondContact CA-O 3.37Å; N6-H478 PolarHBondContact O-CD2 3.43Å; N6-H478 PolarHBondContact O-NE2 3.19Å
7Q83.7Confident76.7Confident0 Ų094.8 Ų94.80%049%0.485CS..THydrogen-bonded Turntrans-65.3-17.1-178.3-69.4176.110.300113.8Q9 G22 Y23 D446 T472 G475 V477Q7-Q9 PolarHBondContact O-N 2.92Å; Q7-G22 CarbonylContact O-C 3.58Å; Q7-G22 WeakPolarHBondContact O-CA 3.46Å; Q7-Y23 PolarHBondContact O-N 3.35Å; Q7-D446 PolarHBondContact NE2-OD1 3.46Å; Q7-T472 PolarHBondContact NE2-OG1 3.11Å; Q7-T472 PolarHBondContact OE1-OG1 3.16Å; Q7-G475 WeakPolarHBondContact CB-O 3.41Å; Q7-G475 VanDerWaalsContact CD-CA 3.47Å; Q7-G475 WeakPolarHBondContact CG-O 3.5Å; Q7-G475 PolarHBondContact N-O 3.41Å; Q7-G475 VanDerWaalsContact N-O 3.12Å; Q7-G475 VanDerWaalsContact OE1-N 3.07Å; Q7-V477 WeakPolarHBondContact CG-O 3.31Å; Q7-V477 PolarHBondContact NE2-O 3.4Å
8M85.3Confident77.1Confident87 Ų8790 Ų9043%0.42946%0.46SS..THydrogen-bonded Turntrans-84.11.7176.4-58.5-61.2-62.700112.8N6 D21 Y23 F473N6-M8 PolarHBondContact O-N 3.13Å; N6-M8 VanDerWaalsContact O-N 3.15Å; N6-M8 WeakPolarHBondContact OD1-CA 3.5Å; N6-M8 WeakPolarHBondContact OD1-CB 3.36Å; N6-M8 PolarHBondContact OD1-N 3.15Å; M8-D21 HydrophobicContact CE-CB 4.01Å; M8-Y23 VanDerWaalsContact C-CD2 3.45Å; M8-Y23 WeakPolarHBondContact O-CD2 3.47Å; M8-Y23 WeakPolarHBondContact O-CE2 3.43Å; M8-F473 HydrophobicContact SD-CB 4.34Å
9Q85.6Confident77.5Confident101 Ų10187.5 Ų87.547%0.47245%0.452SS..SBendtrans-125.6140.7177.4-69.3176.3-21.500109.9V5 N6 Q7 H478V5-Q9 HydrophobicContact CG1-CB 3.52Å; N6-Q9 PolarHBondContact O-N 3.4Å; N6-Q9 VanDerWaalsContact O-O 3.05Å; N6-Q9 PolarHBondContact OD1-N 3.25Å; Q7-Q9 PolarHBondContact O-N 2.92Å; Q9-H478 PolarHBondContact O-NE2 2.91Å
10P87.3Confident77.7Confident63 Ų6386.6 Ų86.641%0.40945%0.445SS..  trans-69.3134178.125.9-30.4000111N12 Q15 Y23P10-N12 VanDerWaalsContact C-N 3.34Å; P10-Q15 HydrophobicContact CB-CB 4.37Å; P10-Y23 HydrophobicContact CB-CD1 3.52Å; P10-Y23 HydrophobicContact CB-CE1 3.77Å; P10-Y23 HydrophobicContact CB-CG 4.06Å; P10-Y23 HydrophobicContact CG-CD1 4.11Å; P10-Y23 HydrophobicContact CG-CE1 3.88Å
11L85.6Confident78Confident50 Ų5087.7 Ų87.726%0.26245%0.452SS..SBendtrans-67.7-34.9167.6-71.9177.4000112.4V5 W25 H478 V481V5-L11 HydrophobicContact CB-CD2 4.2Å; V5-L11 HydrophobicContact CG1-CD2 4.37Å; L11-W25 HydrophobicContact CD1-CH2 3.64Å; L11-W25 HydrophobicContact CD1-CZ2 4.03Å; L11-H478 HydrophobicContact CD1-CB 3.53Å; L11-H478 VanDerWaalsContact CD1-CG 3.48Å; L11-H478 HydrophobicContact CD2-CB 4.16Å; L11-H478 HydrophobicContact CG-CB 4.01Å; L11-H478 VanDerWaalsContact CG-CD2 3.47Å; L11-H478 WeakPolarHBondContact CG-CD2 3.44Å; L11-H478 VanDerWaalsContact CG-CG 3.49Å; L11-V481 HydrophobicContact CD1-CG2 3.97Å; L11-V481 HydrophobicContact CD2-CG2 3.72Å
12N87.3Confident80.1Confident55 Ų5576.2 Ų76.229%0.29440%0.396SS..SBendtrans-158.4170.4-179.160.149.3000110.7P10 K14 Q15P10-N12 VanDerWaalsContact C-N 3.34Å; N12-K14 PolarHBondContact O-N 2.97Å; N12-K14 VanDerWaalsContact O-N 3.1Å; N12-K14 WeakPolarHBondContact OD1-CA 3.42Å; N12-K14 VanDerWaalsContact OD1-CB 3.31Å; N12-K14 WeakPolarHBondContact OD1-CB 3.35Å; N12-K14 PolarHBondContact OD1-N 2.94Å; N12-Q15 PolarHBondContact O-N 2.99Å; N12-Q15 VanDerWaalsContact O-N 3.16Å; N12-Q15 PolarHBondContact OD1-N 3.32Å
13E86.8Confident82.2Confident202 Ų20270.3 Ų70.394%0.94437%0.365SS*.THydrogen-bonded Turntrans-63-15-178.3-59.8178.6175.900114.2
14K86.2Confident84.1Confident116 Ų11661.2 Ų61.250%0.50432%0.323SS..THydrogen-bonded Turntrans-84.7-9.2179.2-56.3179178.3174.90112.9N12 D512N12-K14 PolarHBondContact O-N 2.97Å; N12-K14 VanDerWaalsContact O-N 3.1Å; N12-K14 WeakPolarHBondContact OD1-CA 3.42Å; N12-K14 VanDerWaalsContact OD1-CB 3.31Å; N12-K14 WeakPolarHBondContact OD1-CB 3.35Å; N12-K14 PolarHBondContact OD1-N 2.94Å; K14-D512 IonicContact NZ-OD1 3.52Å; K14-D512 PolarHBondContact NZ-OD1 3.46Å; K14-D512 IonicContact NZ-OD2 2.94Å; K14-D512 PolarHBondContact NZ-OD2 3.04Å
15Q86.6Confident85.3Confident13 Ų1357.7 Ų57.76%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-83.2145.9177.9-74.5-166.3-36.500112.1P10 N12 Y23 V24 W25 H478P10-Q15 HydrophobicContact CB-CB 4.37Å; N12-Q15 PolarHBondContact O-N 2.99Å; N12-Q15 VanDerWaalsContact O-N 3.16Å; N12-Q15 PolarHBondContact OD1-N 3.32Å; Q15-Y23 HydrophobicContact CB-CD1 4.28Å; Q15-V24 CarbonylContact C-O 3.54Å; Q15-V24 VanDerWaalsContact CA-O 3.23Å; Q15-V24 WeakPolarHBondContact CA-O 3.47Å; Q15-V24 WeakPolarHBondContact CB-O 3.46Å; Q15-W25 HydrophobicContact CG-CD2 3.97Å; Q15-W25 HydrophobicContact CG-CG 4.19Å; Q15-W25 HydrophobicContact CG-CZ2 3.99Å; Q15-H478 PolarHBondContact NE2-CE1 3.09Å; Q15-H478 PolarHBondContact NE2-ND1 3.33Å; Q15-H478 PolarHBondContact OE1-CE1 3.47Å; Q15-H478 VanDerWaalsContact OE1-CE1 3.27Å
16I87.5Confident85.7Confident60 Ų6059.3 Ų59.331%0.30830%0.302SS..EExtended strand (participates in β ladder)trans-122.4154.7176.762.2166.3000109.9Y23 V24 Q26 F506I16-Y23 WeakPolarHBondContact O-CA 2.89Å; I16-V24 PolarHBondContact N-O 2.94Å; I16-V24 PolarHBondContact O-N 3.35Å; I16-V24 VanDerWaalsContact O-O 3.09Å; I16-Q26 HydrophobicContact CD1-CB 3.8Å; I16-Q26 HydrophobicContact CD1-CG 4.25Å; I16-Q26 HydrophobicContact CG1-CB 4.36Å; I16-F506 HydrophobicContact CD1-CD1 4.02Å; I16-F506 HydrophobicContact CD1-CE1 3.83Å; I16-F506 HydrophobicContact CG1-CE1 4.5Å
17A87.6Confident85.8Confident45 Ų4556.7 Ų56.737%0.37229%0.288SS..EExtended strand (participates in β ladder)trans-71.8135.4171.700000110.9G22A17-G22 CarbonylContact C-O 3.55Å; A17-G22 WeakPolarHBondContact CA-O 3.22Å
18N84.4Confident86Confident9 Ų960 Ų605%0.04831%0.308CS..  trans-83.1-168.7172.670.313.8000112Q20 D21 G22 V24 E471 T472 F506N18-Q20 PolarHBondContact O-N 3.4Å; N18-Q20 VanDerWaalsContact O-N 3.14Å; N18-Q20 WeakPolarHBondContact OD1-CA 3.43Å; N18-Q20 PolarHBondContact OD1-N 3.38Å; N18-D21 PolarHBondContact O-N 2.97Å; N18-D21 PolarHBondContact OD1-N 2.93Å; N18-G22 PolarHBondContact N-O 3.19Å; N18-G22 PolarHBondContact ND2-O 2.67Å; N18-G22 PolarHBondContact OD1-N 3.49Å; N18-G22 PolarHBondContact OD1-O 3.01Å; N18-V24 HydrophobicContact CB-CG1 4.46Å; N18-V24 HydrophobicContact CB-CG2 3.82Å; N18-E471 WeakPolarHBondContact CB-OE2 3.46Å; N18-T472 PolarHBondContact ND2-N 2.97Å; N18-T472 PolarHBondContact ND2-O 2.9Å; N18-F506 HydrophobicContact CB-CD1 4.28Å; N18-F506 HydrophobicContact CB-CD2 4.03Å; N18-F506 HydrophobicContact CB-CE1 4.31Å; N18-F506 HydrophobicContact CB-CE2 4.07Å; N18-F506 HydrophobicContact CB-CG 4.16Å; N18-F506 HydrophobicContact CB-CZ 4.21Å
19S83.2Confident86.1Confident42 Ų4257.1 Ų57.129%0.29430%0.295SS..THydrogen-bonded Turntrans-68.6-9.6-178-50.20000114E471S19-E471 WeakPolarHBondContact CB-OE1 3.46Å; S19-E471 WeakPolarHBondContact CB-OE2 3.44Å; S19-E471 PolarHBondContact N-OE2 3.11Å; S19-E471 PolarHBondContact OG-OE1 2.78Å; S19-E471 PolarHBondContact OG-OE2 3.28Å
20Q81.8Confident86.3Confident69 Ų6953.1 Ų53.132%0.32228%0.276SS..THydrogen-bonded Turntrans-121.119.5-178.9-64.1-65.7-79.900112.1N18 G22 Y47 F473N18-Q20 PolarHBondContact O-N 3.4Å; N18-Q20 VanDerWaalsContact O-N 3.14Å; N18-Q20 WeakPolarHBondContact OD1-CA 3.43Å; N18-Q20 PolarHBondContact OD1-N 3.38Å; Q20-G22 PolarHBondContact O-N 3.26Å; Q20-G22 VanDerWaalsContact O-N 3.15Å; Q20-Y47 HydrophobicContact CG-CE1 3.99Å; Q20-F473 HydrophobicContact CB-CB 4.06Å; Q20-F473 HydrophobicContact CB-CD1 3.95Å; Q20-F473 HydrophobicContact CB-CG 4.06Å; Q20-F473 HydrophobicContact CG-CD1 4.19Å
21D84.6Confident86.2Confident110 Ų11052.1 Ų52.159%0.58827%0.267SS*.SBendtrans64.88.1-179.5-56.2-49.5000115.7M8 N18M8-D21 HydrophobicContact CE-CB 4.01Å; N18-D21 PolarHBondContact O-N 2.97Å; N18-D21 PolarHBondContact OD1-N 2.93Å
22G82Confident86.2Confident0 Ų050.5 Ų50.50%026%0.257CS..  trans-75.8140.2168.700000111.4Q7 A17 N18 Q20Q7-G22 CarbonylContact O-C 3.58Å; Q7-G22 WeakPolarHBondContact O-CA 3.46Å; A17-G22 CarbonylContact C-O 3.55Å; A17-G22 WeakPolarHBondContact CA-O 3.22Å; N18-G22 PolarHBondContact N-O 3.19Å; N18-G22 PolarHBondContact ND2-O 2.67Å; N18-G22 PolarHBondContact OD1-N 3.49Å; N18-G22 PolarHBondContact OD1-O 3.01Å; Q20-G22 PolarHBondContact O-N 3.26Å; Q20-G22 VanDerWaalsContact O-N 3.15Å
23Y87.2Confident86.3Confident71 Ų7148.1 Ų48.128%0.27825%0.245SC..EExtended strand (participates in β ladder)trans-84.7124.3-178.2-75-96.9000111.5Q7 M8 P10 Q15 I16 H478Q7-Y23 PolarHBondContact O-N 3.35Å; M8-Y23 VanDerWaalsContact C-CD2 3.45Å; M8-Y23 WeakPolarHBondContact O-CD2 3.47Å; M8-Y23 WeakPolarHBondContact O-CE2 3.43Å; P10-Y23 HydrophobicContact CB-CD1 3.52Å; P10-Y23 HydrophobicContact CB-CE1 3.77Å; P10-Y23 HydrophobicContact CB-CG 4.06Å; P10-Y23 HydrophobicContact CG-CD1 4.11Å; P10-Y23 HydrophobicContact CG-CE1 3.88Å; Q15-Y23 HydrophobicContact CB-CD1 4.28Å; I16-Y23 WeakPolarHBondContact O-CA 2.89Å; Y23-H478 PolarHBondContact O-CE1 2.93Å; Y23-H478 PolarHBondContact O-ND1 3.44Å
24V87.8Confident86.3Confident2 Ų240.2 Ų40.21%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-137.7176.1-179.5-62.90000109.3Q15 I16 N18 T472 F506 I508Q15-V24 CarbonylContact C-O 3.54Å; Q15-V24 VanDerWaalsContact CA-O 3.23Å; Q15-V24 WeakPolarHBondContact CA-O 3.47Å; Q15-V24 WeakPolarHBondContact CB-O 3.46Å; I16-V24 PolarHBondContact N-O 2.94Å; I16-V24 PolarHBondContact O-N 3.35Å; I16-V24 VanDerWaalsContact O-O 3.09Å; N18-V24 HydrophobicContact CB-CG1 4.46Å; N18-V24 HydrophobicContact CB-CG2 3.82Å; V24-T472 HydrophobicContact CG1-CG2 3.81Å; V24-F506 HydrophobicContact CG2-CB 3.93Å; V24-F506 HydrophobicContact CG2-CD1 3.76Å; V24-F506 HydrophobicContact CG2-CG 4.04Å; V24-I508 HydrophobicContact CG1-CG2 4.33Å
25W87.4Confident86.2Confident4 Ų434.7 Ų34.72%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-90.4150.3171.2-70.1-83.3000111.5L11 Q15 V27 A480 T507 D510 P511L11-W25 HydrophobicContact CD1-CH2 3.64Å; L11-W25 HydrophobicContact CD1-CZ2 4.03Å; Q15-W25 HydrophobicContact CG-CD2 3.97Å; Q15-W25 HydrophobicContact CG-CG 4.19Å; Q15-W25 HydrophobicContact CG-CZ2 3.99Å; W25-V27 PolarHBondContact O-N 3.41Å; W25-A480 HydrophobicContact CH2-CB 3.61Å; W25-A480 HydrophobicContact CZ3-CB 3.85Å; W25-T507 HydrophobicContact CB-CG2 3.99Å; W25-T507 PolarHBondContact N-O 3.28Å; W25-T507 PolarHBondContact O-N 3.47Å; W25-D510 HydrophobicContact CH2-CB 3.86Å; W25-D510 HydrophobicContact CZ2-CB 4.04Å; W25-D510 HydrophobicContact CZ3-CB 4.14Å; W25-P511 HydrophobicContact CB-CG 4.14Å; W25-P511 HydrophobicContact CG-CG 4.07Å
26Q87.2Confident86.2Confident89 Ų8934.6 Ų34.642%0.41618%0.183SC..EExtended strand (participates in β ladder)trans-70.2125.1163.5-170.3170.6-4.100108.5I16 G505I16-Q26 HydrophobicContact CD1-CB 3.8Å; I16-Q26 HydrophobicContact CD1-CG 4.25Å; I16-Q26 HydrophobicContact CG1-CB 4.36Å; Q26-G505 WeakPolarHBondContact CA-O 3.36Å
27V85.9Confident86.1Confident3 Ų331.8 Ų31.82%0.01817%0.169CC..PPolyproline II helixtrans-63.3143.1173.173.70000109.3W25 N31 R32 G505 T507 D518W25-V27 PolarHBondContact O-N 3.41Å; V27-N31 HydrophobicContact CG2-CB 3.54Å; V27-R32 HydrophobicContact CG1-CB 3.81Å; V27-R32 HydrophobicContact CG1-CG 4.12Å; V27-G505 WeakPolarHBondContact CG1-O 3.31Å; V27-G505 PolarHBondContact N-O 3.11Å; V27-T507 HydrophobicContact CB-CG2 4.13Å; V27-T507 HydrophobicContact CG2-CG2 4.45Å; V27-D518 WeakPolarHBondContact CG2-OD2 3.36Å
28T87.8Confident85.8Confident70 Ų7029.7 Ų29.743%0.42915%0.151SC..PPolyproline II helixtrans-57.5145.1176.568.20000110.1M30 N31 R32T28-M30 PolarHBondContact O-N 3.29Å; T28-M30 VanDerWaalsContact O-N 3.11Å; T28-N31 PolarHBondContact O-N 3.1Å; T28-N31 WeakPolarHBondContact OG1-CB 3.47Å; T28-N31 PolarHBondContact OG1-N 3.03Å; T28-R32 PolarHBondContact O-N 3.36Å
29D89.3Confident85.4Confident26 Ų2629.8 Ų29.814%0.13915%0.151CC..Hα-helixtrans-60-28.6-177.3-76-30.2000112.1R32 L33 A60 R63 L64D29-R32 WeakPolarHBondContact O-CB 3.31Å; D29-R32 PolarHBondContact O-N 2.85Å; D29-L33 PolarHBondContact O-N 3.21Å; D29-A60 HydrophobicContact CB-CB 4.3Å; D29-A60 WeakPolarHBondContact OD1-CB 3.26Å; D29-R63 IonicContact OD1-CZ 2.78Å; D29-R63 IonicContact OD1-NE 3.58Å; D29-R63 IonicContact OD1-NH2 3.66Å; D29-R63 PolarHBondContact OD1-NH2 2.86Å; D29-R63 WeakPolarHBondContact OD2-CB 3.43Å; D29-R63 IonicContact OD2-CZ 3.83Å; D29-R63 IonicContact OD2-NE 2.68Å; D29-R63 PolarHBondContact OD2-NE 3.17Å; D29-R63 IonicContact OD2-NH2 2.62Å; D29-L64 HydrophobicContact CB-CD1 4.07Å; D29-L64 HydrophobicContact CB-CD2 3.82Å; D29-L64 HydrophobicContact CB-CG 3.67Å
30M89.4Confident85.4Confident16 Ų1628.1 Ų28.18%0.07914%0.141CC..Hα-helixtrans-69.5-44.1174.7-165.762.278.500112.5T28 R32 L33 H34 L64 E72 V73 E76T28-M30 PolarHBondContact O-N 3.29Å; T28-M30 VanDerWaalsContact O-N 3.11Å; M30-R32 VanDerWaalsContact C-N 3.28Å; M30-R32 PolarHBondContact O-N 3.14Å; M30-L33 WeakPolarHBondContact O-CB 3.45Å; M30-L33 PolarHBondContact O-N 3.45Å; M30-L33 HydrophobicContact SD-CD2 3.88Å; M30-H34 PolarHBondContact O-N 3.41Å; M30-L64 HydrophobicContact CE-CD1 4.41Å; M30-L64 HydrophobicContact CE-CD2 4.27Å; M30-L64 HydrophobicContact SD-CD1 4.31Å; M30-E72 HydrophobicContact CE-CB 3.99Å; M30-V73 HydrophobicContact CE-CG2 4.07Å; M30-V73 HydrophobicContact SD-CG2 4.47Å; M30-E76 HydrophobicContact SD-CG 4.08Å
31N84.4Confident85.4Confident42 Ų4226.2 Ų26.223%0.22514%0.135CC..Hα-helixtrans-67.4-33.5174-77.3-9.3000111.2V27 T28 L33 H34 R35V27-N31 HydrophobicContact CG2-CB 3.54Å; T28-N31 PolarHBondContact O-N 3.1Å; T28-N31 WeakPolarHBondContact OG1-CB 3.47Å; T28-N31 PolarHBondContact OG1-N 3.03Å; N31-L33 VanDerWaalsContact C-N 3.33Å; N31-L33 PolarHBondContact O-N 3.4Å; N31-H34 PolarHBondContact O-N 3.33Å; N31-R35 WeakPolarHBondContact O-CG 3.5Å; N31-R35 PolarHBondContact O-N 3.25Å
32R85.7Confident84.6Confident16 Ų1624.9 Ų24.96%0.0613%0.125CC..Hα-helixtrans-61.5-42171.1-160170.9175.7158.312.9111.9V27 T28 D29 M30 R35 F36 E56 N57 A60V27-R32 HydrophobicContact CG1-CB 3.81Å; V27-R32 HydrophobicContact CG1-CG 4.12Å; T28-R32 PolarHBondContact O-N 3.36Å; D29-R32 WeakPolarHBondContact O-CB 3.31Å; D29-R32 PolarHBondContact O-N 2.85Å; M30-R32 VanDerWaalsContact C-N 3.28Å; M30-R32 PolarHBondContact O-N 3.14Å; R32-R35 PolarHBondContact O-N 2.72Å; R32-F36 WeakPolarHBondContact O-CB 3.42Å; R32-F36 PolarHBondContact O-N 3.28Å; R32-E56 IonicContact CZ-OE2 2.88Å; R32-E56 IonicContact NH2-OE2 3.21Å; R32-E56 PolarHBondContact NH2-OE2 3.3Å; R32-N57 PolarHBondContact NE-OD1 3.44Å; R32-A60 HydrophobicContact CG-CB 4.41Å
33L88.7Confident83.5Confident6 Ų627.5 Ų27.53%0.03115%0.152CC..Hα-helixtrans-58.3-48.7172.2173.666.3000110.6D29 M30 N31 R35 F36 L37 L61 L64 V73 A95D29-L33 PolarHBondContact O-N 3.21Å; M30-L33 WeakPolarHBondContact O-CB 3.45Å; M30-L33 PolarHBondContact O-N 3.45Å; M30-L33 HydrophobicContact SD-CD2 3.88Å; N31-L33 VanDerWaalsContact C-N 3.33Å; N31-L33 PolarHBondContact O-N 3.4Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.46Å; L33-F36 CarbonylContact O-C 3.53Å; L33-F36 WeakPolarHBondContact O-CB 3.43Å; L33-F36 PolarHBondContact O-N 3.38Å; L33-F36 VanDerWaalsContact O-N 3.11Å; L33-L37 HydrophobicContact CD1-CD1 4.34Å; L33-L37 HydrophobicContact CD1-CD2 4.24Å; L33-L37 HydrophobicContact CD1-CG 4.04Å; L33-L37 HydrophobicContact CG-CD1 4.16Å; L33-L37 HydrophobicContact CG-CG 4.26Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.26Å; L33-L61 HydrophobicContact CD1-CD1 4.37Å; L33-L64 HydrophobicContact CB-CD1 4.39Å; L33-L64 HydrophobicContact CD2-CD1 4.44Å; L33-V73 HydrophobicContact CD2-CB 4.27Å; L33-V73 HydrophobicContact CD2-CG1 3.81Å; L33-V73 HydrophobicContact CD2-CG2 4.05Å; L33-A95 HydrophobicContact CD1-CB 4.28Å
34H88.3Confident82.8Confident35 Ų3524.7 Ų24.716%0.16215%0.145CC..Hα-helixtrans-57.4-45177.3-62.7162.8000112.3M30 N31 F36 L37 C38 E76 F80M30-H34 PolarHBondContact O-N 3.41Å; N31-H34 PolarHBondContact O-N 3.33Å; H34-F36 PolarHBondContact O-N 2.94Å; H34-L37 PolarHBondContact O-N 2.92Å; H34-C38 PolarHBondContact O-N 3.05Å; H34-C38 VanDerWaalsContact O-N 3.16Å; H34-E76 IonicContact NE2-OE2 3.3Å; H34-E76 PolarHBondContact NE2-OE2 3.21Å; H34-F80 HydrophobicContact CB-CZ 3.97Å; H34-F80 AromaticContact CD2-CE2 3.65Å; H34-F80 AromaticContact CD2-CZ 3.62Å; H34-F80 AromaticContact CG-CZ 3.79Å; H34-F80 AromaticContact NE2-CE2 3.94Å
35R83.5Confident82.1Confident1 Ų125.4 Ų25.40%0.00415%0.149CC..Hα-helixtrans-60-45.7174.4-67.7176177.7-162.4-2111.3N31 R32 L33 L37 C38 F39 N470 N504 F506 D518 C520N31-R35 WeakPolarHBondContact O-CG 3.5Å; N31-R35 PolarHBondContact O-N 3.25Å; R32-R35 PolarHBondContact O-N 2.72Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.46Å; R35-L37 PolarHBondContact O-N 2.99Å; R35-C38 PolarHBondContact O-N 2.98Å; R35-F39 HydrophobicContact CB-CD2 4.38Å; R35-F39 WeakPolarHBondContact O-CB 3.42Å; R35-F39 VanDerWaalsContact O-CD2 3.32Å; R35-F39 WeakPolarHBondContact O-CD2 3.44Å; R35-F39 PolarHBondContact O-N 3Å; R35-N470 PolarHBondContact NH2-ND2 3.16Å; R35-N504 PolarHBondContact NH1-O 3.29Å; R35-N504 PolarHBondContact NH1-OD1 3.23Å; R35-N504 VanDerWaalsContact NH1-OD1 3.17Å; R35-F506 VanDerWaalsContact CZ-O 3.29Å; R35-F506 PolarHBondContact NH1-O 2.75Å; R35-F506 PolarHBondContact NH2-O 3.35Å; R35-D518 IonicContact CZ-OD1 3.7Å; R35-D518 IonicContact CZ-OD2 3.98Å; R35-D518 VanDerWaalsContact CZ-OD2 3.27Å; R35-D518 IonicContact NE-OD2 3.05Å; R35-D518 PolarHBondContact NE-OD2 2.61Å; R35-D518 IonicContact NH2-OD1 2.76Å; R35-D518 PolarHBondContact NH2-OD1 3.29Å; R35-D518 IonicContact NH2-OD2 2.64Å; R35-D518 PolarHBondContact NH2-OD2 2.82Å; R35-C520 HydrophobicContact CG-CB 4.35Å
36F86.4Confident80.7Confident10 Ų1031.2 Ų31.24%0.04417%0.172CC..Hα-helixtrans-62.1-41.2176.9177-112.5000112.5R32 L33 H34 C38 G40 N57 P91 F94R32-F36 WeakPolarHBondContact O-CB 3.42Å; R32-F36 PolarHBondContact O-N 3.28Å; L33-F36 CarbonylContact O-C 3.53Å; L33-F36 WeakPolarHBondContact O-CB 3.43Å; L33-F36 PolarHBondContact O-N 3.38Å; L33-F36 VanDerWaalsContact O-N 3.11Å; H34-F36 PolarHBondContact O-N 2.94Å; F36-C38 VanDerWaalsContact C-N 3.29Å; F36-C38 PolarHBondContact O-N 3.38Å; F36-G40 VanDerWaalsContact O-CA 3.23Å; F36-G40 WeakPolarHBondContact O-CA 3.37Å; F36-G40 PolarHBondContact O-N 3.31Å; F36-N57 HydrophobicContact CB-CB 4.24Å; F36-N57 HydrophobicContact CD2-CB 3.71Å; F36-N57 WeakPolarHBondContact CD2-ND2 3.41Å; F36-N57 HydrophobicContact CE2-CB 4.19Å; F36-N57 HydrophobicContact CG-CB 3.92Å; F36-P91 HydrophobicContact CD1-CB 4.12Å; F36-P91 HydrophobicContact CE1-CB 3.8Å; F36-P91 WeakPolarHBondContact CE1-O 3.36Å; F36-P91 HydrophobicContact CE2-CB 4.28Å; F36-P91 HydrophobicContact CG-CB 4.49Å; F36-P91 HydrophobicContact CZ-CB 3.9Å; F36-P91 WeakPolarHBondContact O-CB 3.42Å; F36-F94 AromaticContact CE1-CD1 3.86Å; F36-F94 HydrophobicContact CE1-CD1 3.86Å; F36-F94 AromaticContact CZ-CD1 3.68Å; F36-F94 HydrophobicContact CZ-CD1 3.68Å; F36-F94 HydrophobicContact CZ-CE1 4.28Å
37L86.6Confident79.6Confident1 Ų130.5 Ų30.51%0.00517%0.166CC..Hα-helixtrans-60.5-38.5177.9-69.2-179.8000112.2L33 H34 R35 I77 F80 T86 M92 A95L33-L37 HydrophobicContact CD1-CD1 4.34Å; L33-L37 HydrophobicContact CD1-CD2 4.24Å; L33-L37 HydrophobicContact CD1-CG 4.04Å; L33-L37 HydrophobicContact CG-CD1 4.16Å; L33-L37 HydrophobicContact CG-CG 4.26Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.26Å; H34-L37 PolarHBondContact O-N 2.92Å; R35-L37 PolarHBondContact O-N 2.99Å; L37-I77 HydrophobicContact CD2-CG1 4.49Å; L37-F80 HydrophobicContact CB-CD1 4.05Å; L37-F80 HydrophobicContact CB-CE1 4.3Å; L37-F80 HydrophobicContact CD1-CB 4.33Å; L37-F80 HydrophobicContact CD1-CD1 4Å; L37-F80 HydrophobicContact CD1-CD2 4.28Å; L37-F80 HydrophobicContact CD1-CE1 4.38Å; L37-F80 HydrophobicContact CD1-CG 3.94Å; L37-T86 HydrophobicContact CB-CG2 4.1Å; L37-T86 WeakPolarHBondContact O-CG2 3.39Å; L37-M92 HydrophobicContact CD2-CB 3.96Å; L37-M92 HydrophobicContact CD2-CG 4.38Å; L37-A95 HydrophobicContact CD2-CB 4.36Å
38C80.6Confident78.8Confident1 Ų130.7 Ų30.71%0.00717%0.167CC..Hα-helixtrans-84.1-39.1-178.4-70.90000114.5H34 R35 F36 L386 C520H34-C38 PolarHBondContact O-N 3.05Å; H34-C38 VanDerWaalsContact O-N 3.16Å; R35-C38 PolarHBondContact O-N 2.98Å; F36-C38 VanDerWaalsContact C-N 3.29Å; F36-C38 PolarHBondContact O-N 3.38Å; C38-L386 WeakPolarHBondContact O-CD2 3.33Å; C38-C520 HydrophobicContact CB-CB 4.33Å; C38-C520 WeakPolarHBondContact CB-SG 3.5Å; C38-C520 VanDerWaalsContact SG-SG 3.62Å
39F75.4Confident78.1Confident11 Ų1135.9 Ų35.95%0.04818%0.184CC..Hα-helixtrans-100.6-24.7-174-69.1-68.8000114.2R35 V385 L386 G500 M501 C520 F522R35-F39 HydrophobicContact CB-CD2 4.38Å; R35-F39 WeakPolarHBondContact O-CB 3.42Å; R35-F39 VanDerWaalsContact O-CD2 3.32Å; R35-F39 WeakPolarHBondContact O-CD2 3.44Å; R35-F39 PolarHBondContact O-N 3Å; F39-V385 HydrophobicContact CD1-CG1 3.6Å; F39-V385 HydrophobicContact CE1-CG1 3.77Å; F39-L386 VanDerWaalsContact O-CD2 3.23Å; F39-L386 WeakPolarHBondContact O-CD2 3.45Å; F39-G500 WeakPolarHBondContact CE2-O 3.05Å; F39-G500 WeakPolarHBondContact CZ-O 3.3Å; F39-M501 WeakPolarHBondContact CE1-O 3.25Å; F39-M501 VanDerWaalsContact CZ-C 3.44Å; F39-C520 VanDerWaalsContact CD2-SG 3.55Å; F39-C520 HydrophobicContact CE2-CB 4.21Å; F39-C520 WeakPolarHBondContact CE2-SG 3.32Å; F39-F522 HydrophobicContact CD1-CB 4.11Å; F39-F522 HydrophobicContact CD1-CD2 4.1Å; F39-F522 HydrophobicContact CD1-CG 4.2Å; F39-F522 HydrophobicContact CE1-CB 3.61Å; F39-F522 AromaticContact CE1-CD2 3.08Å; F39-F522 HydrophobicContact CE1-CD2 3.08Å; F39-F522 AromaticContact CE1-CE2 3.64Å; F39-F522 HydrophobicContact CE1-CE2 3.64Å; F39-F522 AromaticContact CE1-CG 3.54Å; F39-F522 HydrophobicContact CE1-CG 3.54Å; F39-F522 HydrophobicContact CZ-CB 3.88Å; F39-F522 AromaticContact CZ-CD2 3.57Å; F39-F522 HydrophobicContact CZ-CD2 3.57Å; F39-F522 HydrophobicContact CZ-CE2 4.37Å; F39-F522 HydrophobicContact CZ-CG 4.12Å
40G83.3Confident77.7Confident7 Ų739.3 Ų39.37%0.07220%0.199CC..  trans60.6-153.5-165.500000111.9F36 P91 S503F36-G40 VanDerWaalsContact O-CA 3.23Å; F36-G40 WeakPolarHBondContact O-CA 3.37Å; F36-G40 PolarHBondContact O-N 3.31Å; G40-P91 VanDerWaalsContact CA-CG 3.4Å; G40-S503 WeakPolarHBondContact O-CB 3.49Å; G40-S503 PolarHBondContact O-OG 2.91Å
41S81.2Confident77.2Confident30 Ų3047 Ų4721%0.2124%0.235CC..SBendtrans-127.81.1175.359.50000113.4G43 G44 E50S41-G43 PolarHBondContact O-N 3.07Å; S41-G44 PolarHBondContact O-N 3.36Å; S41-G44 VanDerWaalsContact O-N 3.11Å; S41-E50 WeakPolarHBondContact O-CG 3.49Å
42E68.7Low76.9Confident81 Ų8150.9 Ų50.938%0.37925%0.25SC..THydrogen-bonded Turntrans-65.3128.2-176.4-175-178.2-176.800111G44 K88E42-G44 VanDerWaalsContact C-N 3.28Å; E42-K88 IonicContact OE2-NZ 3.96Å; E42-K88 PolarHBondContact OE2-NZ 3.42Å
43G58.3Low76.5Confident55 Ų5550.2 Ų50.257%0.56725%0.247SC*.THydrogen-bonded Turntrans85.3-9-17500000114.6S41 E50S41-G43 PolarHBondContact O-N 3.07Å; G43-E50 PolarHBondContact N-OE2 3.02Å
44G72.5Confident76.3Confident12 Ų1250.7 Ų50.712%0.12425%0.254CS..  trans66.5-162-17600000113.1S41 E42 I48S41-G44 PolarHBondContact O-N 3.36Å; S41-G44 VanDerWaalsContact O-N 3.11Å; E42-G44 VanDerWaalsContact C-N 3.28Å; G44-I48 CarbonylContact C-O 2.82Å; G44-I48 VanDerWaalsContact CA-O 3.24Å; G44-I48 WeakPolarHBondContact CA-O 3.32Å
45T73.9Confident76.1Confident17 Ų1753.9 Ų53.910%0.10427%0.271CS..  trans-112177.2163.974.10000109.4Y47 I48 L53 Q383 T502T45-Y47 PolarHBondContact O-N 3.01Å; T45-Y47 PolarHBondContact OG1-N 3.42Å; T45-I48 PolarHBondContact N-O 3.39Å; T45-I48 WeakPolarHBondContact OG1-CB 3.47Å; T45-I48 PolarHBondContact OG1-N 3.17Å; T45-L53 HydrophobicContact CG2-CD1 4.23Å; T45-L53 HydrophobicContact CG2-CD2 3.79Å; T45-Q383 VanDerWaalsContact CB-OE1 3.3Å; T45-T502 HydrophobicContact CG2-CG2 3.92Å
46Y56.9Low76.2Confident127 Ų12755.6 Ų55.650%0.49828%0.28SS..SBendtrans-53.2-37.2174.5-171.1-93.1000112.4
47Y65.2Low76.3Confident73 Ų7355.4 Ų55.429%0.28628%0.279SS..SBendtrans-103.9-24.2-176.8-58.1-77.2000114Q20 T45 E471Q20-Y47 HydrophobicContact CG-CE1 3.99Å; T45-Y47 PolarHBondContact O-N 3.01Å; T45-Y47 PolarHBondContact OG1-N 3.42Å; Y47-E471 HydrophobicContact CD2-CB 4.45Å; Y47-E471 HydrophobicContact CD2-CG 3.75Å; Y47-E471 HydrophobicContact CE2-CB 3.91Å; Y47-E471 HydrophobicContact CE2-CG 3.69Å
48I68Low76.4Confident8 Ų856 Ų564%0.04128%0.284CS..SBendtrans-115.4119.8-171.6-52175.5000110.1G44 T45 K52 L53 N504G44-I48 CarbonylContact C-O 2.82Å; G44-I48 VanDerWaalsContact CA-O 3.24Å; G44-I48 WeakPolarHBondContact CA-O 3.32Å; T45-I48 PolarHBondContact N-O 3.39Å; T45-I48 WeakPolarHBondContact OG1-CB 3.47Å; T45-I48 PolarHBondContact OG1-N 3.17Å; I48-K52 HydrophobicContact CG2-CB 4Å; I48-K52 HydrophobicContact CG2-CD 4.15Å; I48-K52 HydrophobicContact CG2-CG 4.09Å; I48-L53 HydrophobicContact CD1-CD1 4.36Å; I48-L53 HydrophobicContact CG2-CB 3.82Å; I48-L53 HydrophobicContact CG2-CD1 4.22Å; I48-N504 HydrophobicContact CD1-CB 3.98Å
49K74.4Confident76.9Confident179 Ų17960 Ų6078%0.77830%0.302SS*.  trans-62.7146.7175.1-65.4-177.9179.6177.50111.6Q51 K52 L53K49-Q51 VanDerWaalsContact C-N 3.32Å; K49-Q51 PolarHBondContact O-N 3.14Å; K49-Q51 VanDerWaalsContact O-N 3.16Å; K49-K52 PolarHBondContact O-N 3.33Å; K49-L53 PolarHBondContact O-N 2.94Å
50E79.8Confident77.6Confident97 Ų9759.5 Ų59.545%0.45330%0.301SS..Hα-helixtrans-45.2-48.4179.8169.4169.7155.900114.3S41 G43 K52 L53 G54S41-E50 WeakPolarHBondContact O-CG 3.49Å; G43-E50 PolarHBondContact N-OE2 3.02Å; E50-K52 PolarHBondContact O-N 2.57Å; E50-L53 PolarHBondContact O-N 3.08Å; E50-G54 PolarHBondContact O-N 2.96Å
51Q79Confident78.1Confident177 Ų17759.4 Ų59.483%0.82730%0.298SS*.Hα-helixtrans-63.5-42.8-179-68.8177.8-9.100112.3K49 G54 L55K49-Q51 VanDerWaalsContact C-N 3.32Å; K49-Q51 PolarHBondContact O-N 3.14Å; K49-Q51 VanDerWaalsContact O-N 3.16Å; Q51-G54 PolarHBondContact O-N 3.29Å; Q51-L55 PolarHBondContact O-N 2.83Å; Q51-L55 VanDerWaalsContact O-N 3.11Å
52K77.8Confident78.6Confident124 Ų12461 Ų6154%0.53930%0.304SS..Hα-helixtrans-66.6-44.9178.4-173.4-178.9179.2-158.80110.1I48 K49 E50 G54 L55 E56I48-K52 HydrophobicContact CG2-CB 4Å; I48-K52 HydrophobicContact CG2-CD 4.15Å; I48-K52 HydrophobicContact CG2-CG 4.09Å; K49-K52 PolarHBondContact O-N 3.33Å; E50-K52 PolarHBondContact O-N 2.57Å; K52-G54 VanDerWaalsContact C-N 3.32Å; K52-G54 PolarHBondContact O-N 3.07Å; K52-L55 PolarHBondContact O-N 3.03Å; K52-L55 VanDerWaalsContact O-N 3.16Å; K52-E56 WeakPolarHBondContact CE-OE1 3.08Å; K52-E56 HydrophobicContact CG-CG 4.47Å; K52-E56 IonicContact NZ-OE1 3.78Å; K52-E56 WeakPolarHBondContact O-CG 3.29Å; K52-E56 PolarHBondContact O-N 3.34Å
53L78.4Confident79.8Confident2 Ų260.6 Ų60.61%0.0130%0.299CS..Hα-helixtrans-61.1-40.4178.3-171.262000112.4T45 I48 K49 E50 N57 S503T45-L53 HydrophobicContact CG2-CD1 4.23Å; T45-L53 HydrophobicContact CG2-CD2 3.79Å; I48-L53 HydrophobicContact CD1-CD1 4.36Å; I48-L53 HydrophobicContact CG2-CB 3.82Å; I48-L53 HydrophobicContact CG2-CD1 4.22Å; K49-L53 PolarHBondContact O-N 2.94Å; E50-L53 PolarHBondContact O-N 3.08Å; L53-N57 PolarHBondContact O-N 3.04Å; L53-N57 PolarHBondContact O-ND2 3.31Å; L53-N57 VanDerWaalsContact O-ND2 3.1Å; L53-S503 WeakPolarHBondContact CD1-O 3.47Å; L53-S503 WeakPolarHBondContact CD1-OG 3.46Å; L53-S503 WeakPolarHBondContact CD2-OG 3.46Å; L53-S503 WeakPolarHBondContact CG-OG 3.45Å
54G83.3Confident81.5Confident16 Ų1658.1 Ų58.117%0.16527%0.273CS..Hα-helixtrans-63.2-42.8174.500000112.5E50 Q51 K52 A58E50-G54 PolarHBondContact O-N 2.96Å; Q51-G54 PolarHBondContact O-N 3.29Å; K52-G54 VanDerWaalsContact C-N 3.32Å; K52-G54 PolarHBondContact O-N 3.07Å; G54-A58 WeakPolarHBondContact O-CB 3.44Å; G54-A58 PolarHBondContact O-N 2.98Å
55L84.9Confident82.5Confident102 Ų10258.1 Ų58.153%0.53427%0.27SS..Hα-helixtrans-63.6-50.2177.8-176.868.2000111.6Q51 K52 N57 A58 E59Q51-L55 PolarHBondContact O-N 2.83Å; Q51-L55 VanDerWaalsContact O-N 3.11Å; K52-L55 PolarHBondContact O-N 3.03Å; K52-L55 VanDerWaalsContact O-N 3.16Å; L55-N57 VanDerWaalsContact C-N 3.27Å; L55-N57 PolarHBondContact O-N 3.28Å; L55-A58 WeakPolarHBondContact O-CB 3.25Å; L55-A58 PolarHBondContact O-N 3.1Å; L55-E59 WeakPolarHBondContact O-CG 3.5Å; L55-E59 PolarHBondContact O-N 3.43Å
56E86.2Confident83.4Confident38 Ų3864.2 Ų64.218%0.17830%0.297CS..Hα-helixtrans-62.2-34.7-177.6-65175.2-169.200112.6R32 K52 A60R32-E56 IonicContact CZ-OE2 2.88Å; R32-E56 IonicContact NH2-OE2 3.21Å; R32-E56 PolarHBondContact NH2-OE2 3.3Å; K52-E56 WeakPolarHBondContact CE-OE1 3.08Å; K52-E56 HydrophobicContact CG-CG 4.47Å; K52-E56 IonicContact NZ-OE1 3.78Å; K52-E56 WeakPolarHBondContact O-CG 3.29Å; K52-E56 PolarHBondContact O-N 3.34Å; E56-A60 PolarHBondContact O-N 3.01Å; E56-A60 VanDerWaalsContact O-N 3.11Å
57N88.6Confident85.1Confident6 Ų663.8 Ų63.83%0.03230%0.303CS..Hα-helixtrans-72-35.4174.5-73.7-33.7000112.4R32 F36 L53 L55 A60 L61 S503R32-N57 PolarHBondContact NE-OD1 3.44Å; F36-N57 HydrophobicContact CB-CB 4.24Å; F36-N57 HydrophobicContact CD2-CB 3.71Å; F36-N57 WeakPolarHBondContact CD2-ND2 3.41Å; F36-N57 HydrophobicContact CE2-CB 4.19Å; F36-N57 HydrophobicContact CG-CB 3.92Å; L53-N57 PolarHBondContact O-N 3.04Å; L53-N57 PolarHBondContact O-ND2 3.31Å; L53-N57 VanDerWaalsContact O-ND2 3.1Å; L55-N57 VanDerWaalsContact C-N 3.27Å; L55-N57 PolarHBondContact O-N 3.28Å; N57-A60 PolarHBondContact O-N 3.38Å; N57-L61 PolarHBondContact O-N 3.46Å; N57-L61 VanDerWaalsContact O-N 3.14Å; N57-S503 PolarHBondContact ND2-OG 3.43Å; N57-S503 PolarHBondContact OD1-O 2.79Å
58A88.9Confident86.4Confident13 Ų1363 Ų6311%0.10732%0.317CS..Hα-helixtrans-65.5-40.117300000111.4G54 L55 L61 I62 F94 I98G54-A58 WeakPolarHBondContact O-CB 3.44Å; G54-A58 PolarHBondContact O-N 2.98Å; L55-A58 WeakPolarHBondContact O-CB 3.25Å; L55-A58 PolarHBondContact O-N 3.1Å; A58-L61 PolarHBondContact O-N 3.24Å; A58-I62 VanDerWaalsContact O-CG1 3.29Å; A58-I62 WeakPolarHBondContact O-CG1 3.26Å; A58-I62 PolarHBondContact O-N 3.44Å; A58-F94 HydrophobicContact CB-CE1 4.16Å; A58-F94 HydrophobicContact CB-CZ 4.35Å; A58-I98 HydrophobicContact CB-CD1 4.08Å
59E90.3Very high87.7Confident84 Ų8467 Ų6739%0.39333%0.332SS..Hα-helixtrans-62.9-43175.8-71.5172.2178.200112.2L55 L61 I62 R63L55-E59 WeakPolarHBondContact O-CG 3.5Å; L55-E59 PolarHBondContact O-N 3.43Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 2.94Å; E59-I62 PolarHBondContact O-N 3.43Å; E59-R63 WeakPolarHBondContact O-CG 3.08Å; E59-R63 PolarHBondContact O-N 2.91Å
60A90.9Very high88.6Confident2 Ų258.5 Ų58.52%0.01730%0.295CS..Hα-helixtrans-60.4-41.4174.700000112.6D29 R32 E56 N57 R63 L64D29-A60 HydrophobicContact CB-CB 4.3Å; D29-A60 WeakPolarHBondContact OD1-CB 3.26Å; R32-A60 HydrophobicContact CG-CB 4.41Å; E56-A60 PolarHBondContact O-N 3.01Å; E56-A60 VanDerWaalsContact O-N 3.11Å; N57-A60 PolarHBondContact O-N 3.38Å; A60-R63 VanDerWaalsContact CA-NH2 3.3Å; A60-R63 PolarHBondContact O-N 3.14Å; A60-L64 PolarHBondContact O-N 3.45Å; A60-L64 VanDerWaalsContact O-N 3.14Å
61L92.8Very high89.3Confident5 Ų556.8 Ų56.83%0.02629%0.293CS..Hα-helixtrans-65.4-39174.9175.960.3000112.2L33 N57 A58 E59 L64 I65 V73 A95 I98L33-L61 HydrophobicContact CD1-CD1 4.37Å; N57-L61 PolarHBondContact O-N 3.46Å; N57-L61 VanDerWaalsContact O-N 3.14Å; A58-L61 PolarHBondContact O-N 3.24Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 2.94Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-I65 HydrophobicContact CD1-CD1 4.43Å; L61-I65 HydrophobicContact CG-CD1 4.36Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.25Å; L61-V73 HydrophobicContact CD1-CG1 3.51Å; L61-V73 HydrophobicContact CD1-CG2 4.31Å; L61-A95 HydrophobicContact CD2-CB 3.76Å; L61-I98 HydrophobicContact CD2-CB 3.79Å; L61-I98 HydrophobicContact CD2-CD1 3.74Å; L61-I98 HydrophobicContact CD2-CG1 4.31Å; L61-I98 HydrophobicContact CD2-CG2 3.82Å; L61-I98 HydrophobicContact CG-CG2 4.1Å
62I92.3Very high90.1Very high63 Ų6352.9 Ų52.932%0.32328%0.275SS..Hα-helixtrans-64.3-44.3176.2-70.4164.7000110.4A58 E59 L64 I65 E66 I98A58-I62 VanDerWaalsContact O-CG1 3.29Å; A58-I62 WeakPolarHBondContact O-CG1 3.26Å; A58-I62 PolarHBondContact O-N 3.44Å; E59-I62 PolarHBondContact O-N 3.43Å; I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 PolarHBondContact O-N 2.82Å; I62-I65 WeakPolarHBondContact O-CB 3.49Å; I62-I65 PolarHBondContact O-N 3.47Å; I62-E66 HydrophobicContact CG2-CG 4.19Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.39Å; I62-E66 WeakPolarHBondContact O-CG 3.45Å; I62-E66 PolarHBondContact O-N 3.33Å; I62-I98 HydrophobicContact CG1-CG2 4.38Å
63R93.6Very high90.9Very high73 Ų7347 Ų4728%0.27525%0.249SC..Hα-helixtrans-56.5-45.3175.5-73.8-169.6-61.5-91.23.1112.5D29 E59 A60 I65 E66 D67D29-R63 IonicContact OD1-CZ 2.78Å; D29-R63 IonicContact OD1-NE 3.58Å; D29-R63 IonicContact OD1-NH2 3.66Å; D29-R63 PolarHBondContact OD1-NH2 2.86Å; D29-R63 WeakPolarHBondContact OD2-CB 3.43Å; D29-R63 IonicContact OD2-CZ 3.83Å; D29-R63 IonicContact OD2-NE 2.68Å; D29-R63 PolarHBondContact OD2-NE 3.17Å; D29-R63 IonicContact OD2-NH2 2.62Å; E59-R63 WeakPolarHBondContact O-CG 3.08Å; E59-R63 PolarHBondContact O-N 2.91Å; A60-R63 VanDerWaalsContact CA-NH2 3.3Å; A60-R63 PolarHBondContact O-N 3.14Å; R63-I65 PolarHBondContact O-N 3.09Å; R63-E66 PolarHBondContact O-N 3.22Å; R63-E66 VanDerWaalsContact O-N 3.15Å; R63-D67 WeakPolarHBondContact O-CB 3.45Å; R63-D67 VanDerWaalsContact O-CG 3.27Å; R63-D67 PolarHBondContact O-N 3.46Å
64L94.1Very high91.8Very high3 Ų347.1 Ų47.12%0.01625%0.25CS..Hα-helixtrans-57.9-35.9175-72.9170.3000113.1D29 M30 L33 A60 L61 I62 R69 V73D29-L64 HydrophobicContact CB-CD1 4.07Å; D29-L64 HydrophobicContact CB-CD2 3.82Å; D29-L64 HydrophobicContact CB-CG 3.67Å; M30-L64 HydrophobicContact CE-CD1 4.41Å; M30-L64 HydrophobicContact CE-CD2 4.27Å; M30-L64 HydrophobicContact SD-CD1 4.31Å; L33-L64 HydrophobicContact CB-CD1 4.39Å; L33-L64 HydrophobicContact CD2-CD1 4.44Å; A60-L64 PolarHBondContact O-N 3.45Å; A60-L64 VanDerWaalsContact O-N 3.14Å; L61-L64 PolarHBondContact O-N 3.39Å; I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 PolarHBondContact O-N 2.82Å; L64-R69 CarbonylContact O-C 3.56Å; L64-R69 WeakPolarHBondContact O-CA 3.49Å; L64-R69 WeakPolarHBondContact O-CB 3.48Å; L64-R69 PolarHBondContact O-N 3.26Å; L64-V73 HydrophobicContact CB-CG2 3.86Å; L64-V73 HydrophobicContact CD1-CG2 3.72Å; L64-V73 HydrophobicContact CG-CG2 4.36Å
65I93.4Very high92.4Very high12 Ų1251.4 Ų51.46%0.06227%0.266CS..Hα-helixtrans-73.8-42.5178.3-62.8165.4000110.4L61 I62 R63 D67 G68 I98 C102 D104 T107L61-I65 HydrophobicContact CD1-CD1 4.43Å; L61-I65 HydrophobicContact CG-CD1 4.36Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.25Å; I62-I65 WeakPolarHBondContact O-CB 3.49Å; I62-I65 PolarHBondContact O-N 3.47Å; R63-I65 PolarHBondContact O-N 3.09Å; I65-D67 VanDerWaalsContact C-N 3.28Å; I65-D67 PolarHBondContact O-N 3.5Å; I65-G68 PolarHBondContact O-N 3.49Å; I65-G68 VanDerWaalsContact O-N 3.07Å; I65-I98 HydrophobicContact CD1-CG2 4.01Å; I65-C102 HydrophobicContact CD1-CB 4.22Å; I65-C102 HydrophobicContact CG2-CB 3.85Å; I65-D104 HydrophobicContact CG2-CB 4.26Å; I65-T107 HydrophobicContact CG1-CG2 4.48Å
66E92.8Very high92.7Very high145 Ų14548.9 Ų48.968%0.67825%0.251SS*.Hα-helixtrans-63.4-34.7177.3-70.5175.9168.300112I62 R63 G68I62-E66 HydrophobicContact CG2-CG 4.19Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.39Å; I62-E66 WeakPolarHBondContact O-CG 3.45Å; I62-E66 PolarHBondContact O-N 3.33Å; R63-E66 PolarHBondContact O-N 3.22Å; R63-E66 VanDerWaalsContact O-N 3.15Å; E66-G68 PolarHBondContact O-N 2.84Å
67D93.2Very high93.1Very high117 Ų11747.1 Ų47.163%0.62624%0.243SC*.THydrogen-bonded Turntrans-74.64173.8-68.6-16.2000113.6R63 I65 R69R63-D67 WeakPolarHBondContact O-CB 3.45Å; R63-D67 VanDerWaalsContact O-CG 3.27Å; R63-D67 PolarHBondContact O-N 3.46Å; I65-D67 VanDerWaalsContact C-N 3.28Å; I65-D67 PolarHBondContact O-N 3.5Å; D67-R69 VanDerWaalsContact C-N 3.29Å; D67-R69 HydrophobicContact CB-CG 4.44Å; D67-R69 PolarHBondContact O-N 3.32Å
68G92.6Very high93.3Very high57 Ų5748.7 Ų48.759%0.58825%0.249SC*.THydrogen-bonded Turntrans77.68.5178.900000114.8I65 E66I65-G68 PolarHBondContact O-N 3.49Å; I65-G68 VanDerWaalsContact O-N 3.07Å; E66-G68 PolarHBondContact O-N 2.84Å
69R94.4Very high93.3Very high93 Ų9350.1 Ų50.135%0.35126%0.255SS..  trans-93.111.7-178.1-56.6-176.964.1-167.6-0.9113.7L64 D67 C71 E72 V73L64-R69 CarbonylContact O-C 3.56Å; L64-R69 WeakPolarHBondContact O-CA 3.49Å; L64-R69 WeakPolarHBondContact O-CB 3.48Å; L64-R69 PolarHBondContact O-N 3.26Å; D67-R69 VanDerWaalsContact C-N 3.29Å; D67-R69 HydrophobicContact CB-CG 4.44Å; D67-R69 PolarHBondContact O-N 3.32Å; R69-C71 VanDerWaalsContact C-N 3.27Å; R69-C71 PolarHBondContact O-N 3.43Å; R69-E72 IonicContact CZ-OE2 3.8Å; R69-E72 VanDerWaalsContact CZ-OE2 3.27Å; R69-E72 IonicContact NE-OE1 3.04Å; R69-E72 IonicContact NE-OE2 2.69Å; R69-E72 PolarHBondContact NE-OE2 3.48Å; R69-E72 IonicContact NH2-OE2 2.88Å; R69-E72 PolarHBondContact NH2-OE2 3.04Å; R69-E72 WeakPolarHBondContact O-CB 3.41Å; R69-E72 PolarHBondContact O-N 2.86Å; R69-V73 PolarHBondContact O-N 3.38Å; R69-V73 VanDerWaalsContact O-N 3.15Å
70G94.1Very high93.1Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-63.3-27.1-176.600000114.5V73 I74 T107G70-V73 WeakPolarHBondContact O-CB 3.41Å; G70-V73 PolarHBondContact O-N 3.43Å; G70-I74 WeakPolarHBondContact O-CG1 3.46Å; G70-I74 PolarHBondContact O-N 2.97Å; G70-I74 VanDerWaalsContact O-N 3.15Å; G70-T107 WeakPolarHBondContact CA-OG1 3.46Å
71C94.4Very high92.9Very high61 Ų6146 Ų4641%0.41224%0.236SC..Hα-helixtrans-67.5-38.5171.5-73.40000112.7R69 V73 I74 Q75R69-C71 VanDerWaalsContact C-N 3.27Å; R69-C71 PolarHBondContact O-N 3.43Å; C71-V73 VanDerWaalsContact C-N 3.34Å; C71-I74 PolarHBondContact O-N 2.72Å; C71-Q75 PolarHBondContact O-N 3.49Å; C71-Q75 VanDerWaalsContact O-N 3.11Å
72E95.4Very high92.6Very high94 Ų9450 Ų5044%0.43925%0.254SS..Hα-helixtrans-63.1-43.4174.9-63.9170.7-147.400110.3M30 R69 I74 Q75 E76M30-E72 HydrophobicContact CE-CB 3.99Å; R69-E72 IonicContact CZ-OE2 3.8Å; R69-E72 VanDerWaalsContact CZ-OE2 3.27Å; R69-E72 IonicContact NE-OE1 3.04Å; R69-E72 IonicContact NE-OE2 2.69Å; R69-E72 PolarHBondContact NE-OE2 3.48Å; R69-E72 IonicContact NH2-OE2 2.88Å; R69-E72 PolarHBondContact NH2-OE2 3.04Å; R69-E72 WeakPolarHBondContact O-CB 3.41Å; R69-E72 PolarHBondContact O-N 2.86Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 2.92Å; E72-Q75 WeakPolarHBondContact O-CA 3.44Å; E72-Q75 WeakPolarHBondContact O-CB 3.26Å; E72-Q75 PolarHBondContact O-N 2.88Å; E72-E76 PolarHBondContact O-N 3.08Å
73V95.5Very high92Very high0 Ų051.8 Ų51.80%026%0.261CS..Hα-helixtrans-55.4-45174.8167.90000112M30 L33 L61 L64 R69 G70 C71 Q75 E76 I77M30-V73 HydrophobicContact CE-CG2 4.07Å; M30-V73 HydrophobicContact SD-CG2 4.47Å; L33-V73 HydrophobicContact CD2-CB 4.27Å; L33-V73 HydrophobicContact CD2-CG1 3.81Å; L33-V73 HydrophobicContact CD2-CG2 4.05Å; L61-V73 HydrophobicContact CD1-CG1 3.51Å; L61-V73 HydrophobicContact CD1-CG2 4.31Å; L64-V73 HydrophobicContact CB-CG2 3.86Å; L64-V73 HydrophobicContact CD1-CG2 3.72Å; L64-V73 HydrophobicContact CG-CG2 4.36Å; R69-V73 PolarHBondContact O-N 3.38Å; R69-V73 VanDerWaalsContact O-N 3.15Å; G70-V73 WeakPolarHBondContact O-CB 3.41Å; G70-V73 PolarHBondContact O-N 3.43Å; C71-V73 VanDerWaalsContact C-N 3.34Å; V73-Q75 VanDerWaalsContact C-N 3.3Å; V73-Q75 PolarHBondContact O-N 3.14Å; V73-E76 PolarHBondContact O-N 3.3Å; V73-I77 HydrophobicContact CG1-CD1 3.88Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 2.79Å
74I96.3Very high90.9Very high6 Ų649.6 Ų49.63%0.03126%0.261CS..Hα-helixtrans-64.1-37.8177.2-67.3-54.9000111.6G70 C71 E72 I77 K78 L96 C99 T107 A110 A111 A114G70-I74 WeakPolarHBondContact O-CG1 3.46Å; G70-I74 PolarHBondContact O-N 2.97Å; G70-I74 VanDerWaalsContact O-N 3.15Å; C71-I74 PolarHBondContact O-N 2.72Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 2.92Å; I74-I77 HydrophobicContact CD1-CD1 4.27Å; I74-I77 PolarHBondContact O-N 3.32Å; I74-K78 HydrophobicContact CG2-CD 4.35Å; I74-K78 WeakPolarHBondContact O-CG 3.49Å; I74-K78 PolarHBondContact O-N 3.4Å; I74-L96 HydrophobicContact CD1-CD1 3.76Å; I74-C99 HydrophobicContact CD1-CB 3.5Å; I74-C99 HydrophobicContact CG1-CB 4.36Å; I74-T107 HydrophobicContact CG1-CG2 4.46Å; I74-A110 HydrophobicContact CB-CB 4.28Å; I74-A110 HydrophobicContact CG1-CB 4.19Å; I74-A110 HydrophobicContact CG2-CB 4.08Å; I74-A111 HydrophobicContact CD1-CB 3.72Å; I74-A111 HydrophobicContact CG1-CB 4.28Å; I74-A114 HydrophobicContact CG2-CB 3.84Å
75Q95.1Very high90Very high105 Ų10550.9 Ų50.949%0.49127%0.266SS..Hα-helixtrans-64.8-43177.4-175.159.620.700111.5C71 E72 V73 K78 L79C71-Q75 PolarHBondContact O-N 3.49Å; C71-Q75 VanDerWaalsContact O-N 3.11Å; E72-Q75 WeakPolarHBondContact O-CA 3.44Å; E72-Q75 WeakPolarHBondContact O-CB 3.26Å; E72-Q75 PolarHBondContact O-N 2.88Å; V73-Q75 VanDerWaalsContact C-N 3.3Å; V73-Q75 PolarHBondContact O-N 3.14Å; Q75-K78 WeakPolarHBondContact O-CB 3.23Å; Q75-K78 PolarHBondContact O-N 3.19Å; Q75-L79 WeakPolarHBondContact O-CB 3.13Å; Q75-L79 PolarHBondContact O-N 3.11Å
76E93Very high89Confident50 Ų5050.6 Ų50.623%0.23427%0.265CS..Hα-helixtrans-62.5-45.3174.3-70.2-55.1144.500111.8M30 H34 E72 V73 K78 L79 F80M30-E76 HydrophobicContact SD-CG 4.08Å; H34-E76 IonicContact NE2-OE2 3.3Å; H34-E76 PolarHBondContact NE2-OE2 3.21Å; E72-E76 PolarHBondContact O-N 3.08Å; V73-E76 PolarHBondContact O-N 3.3Å; E76-K78 VanDerWaalsContact C-N 3.28Å; E76-K78 PolarHBondContact O-N 3.5Å; E76-L79 PolarHBondContact O-N 3.24Å; E76-L79 VanDerWaalsContact O-N 3.16Å; E76-F80 VanDerWaalsContact O-CD2 3.27Å; E76-F80 WeakPolarHBondContact O-CD2 3.28Å; E76-F80 PolarHBondContact O-N 3.44Å
77I93.7Very high87.9Confident0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-56.2-43.9175-72.7169.9000111L37 V73 I74 S81 M92 A95 L96 V118L37-I77 HydrophobicContact CD2-CG1 4.49Å; V73-I77 HydrophobicContact CG1-CD1 3.88Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 2.79Å; I74-I77 HydrophobicContact CD1-CD1 4.27Å; I74-I77 PolarHBondContact O-N 3.32Å; I77-S81 WeakPolarHBondContact O-CB 3.47Å; I77-S81 PolarHBondContact O-N 3.37Å; I77-M92 HydrophobicContact CG2-CG 3.69Å; I77-A95 HydrophobicContact CD1-CB 3.72Å; I77-A95 HydrophobicContact CG1-CB 4.42Å; I77-L96 HydrophobicContact CG2-CB 4.47Å; I77-V118 HydrophobicContact CG2-CG2 4.07Å
78K93.4Very high87.1Confident39 Ų3942.3 Ų42.317%0.1722%0.224CC..Hα-helixtrans-63.8-46.2177.3-77.7-179.756160.50111.6I74 Q75 E76 S81 Q82 A114 E117 V118I74-K78 HydrophobicContact CG2-CD 4.35Å; I74-K78 WeakPolarHBondContact O-CG 3.49Å; I74-K78 PolarHBondContact O-N 3.4Å; Q75-K78 WeakPolarHBondContact O-CB 3.23Å; Q75-K78 PolarHBondContact O-N 3.19Å; E76-K78 VanDerWaalsContact C-N 3.28Å; E76-K78 PolarHBondContact O-N 3.5Å; K78-S81 WeakPolarHBondContact O-CB 3.27Å; K78-S81 PolarHBondContact O-N 3.09Å; K78-Q82 WeakPolarHBondContact O-CB 3.45Å; K78-Q82 VanDerWaalsContact O-CG 3.3Å; K78-Q82 WeakPolarHBondContact O-CG 3.23Å; K78-Q82 PolarHBondContact O-N 3.49Å; K78-A114 HydrophobicContact CD-CB 3.83Å; K78-A114 HydrophobicContact CG-CB 3.78Å; K78-E117 VanDerWaalsContact CE-CD 3.48Å; K78-E117 WeakPolarHBondContact CE-OE1 3.14Å; K78-E117 WeakPolarHBondContact CE-OE2 3.27Å; K78-E117 IonicContact NZ-OE1 3.89Å; K78-E117 PolarHBondContact NZ-OE1 3.46Å; K78-E117 IonicContact NZ-OE2 3.47Å; K78-E117 PolarHBondContact NZ-OE2 3.12Å; K78-V118 HydrophobicContact CG-CG2 4.3Å
79L89.3Confident86.8Confident43 Ų4341.5 Ų41.523%0.22520%0.204CC..Hα-helixtrans-60.7-52.2-179.5-173.8142.5000110.8Q75 E76 S81 Q82 E83Q75-L79 WeakPolarHBondContact O-CB 3.13Å; Q75-L79 PolarHBondContact O-N 3.11Å; E76-L79 PolarHBondContact O-N 3.24Å; E76-L79 VanDerWaalsContact O-N 3.16Å; L79-S81 PolarHBondContact O-N 3.06Å; L79-Q82 PolarHBondContact O-N 3.24Å; L79-Q82 VanDerWaalsContact O-N 3.14Å; L79-E83 VanDerWaalsContact CD2-OE2 3.25Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.43Å; L79-E83 WeakPolarHBondContact O-CB 3.1Å; L79-E83 PolarHBondContact O-N 2.97Å
80F85.7Confident86.5Confident0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-57.8-38.3176.8-85.3-115.7000112.1H34 L37 E76 G84 R85 T86 M92H34-F80 HydrophobicContact CB-CZ 3.97Å; H34-F80 AromaticContact CD2-CE2 3.65Å; H34-F80 AromaticContact CD2-CZ 3.62Å; H34-F80 AromaticContact CG-CZ 3.79Å; H34-F80 AromaticContact NE2-CE2 3.94Å; L37-F80 HydrophobicContact CB-CD1 4.05Å; L37-F80 HydrophobicContact CB-CE1 4.3Å; L37-F80 HydrophobicContact CD1-CB 4.33Å; L37-F80 HydrophobicContact CD1-CD1 4Å; L37-F80 HydrophobicContact CD1-CD2 4.28Å; L37-F80 HydrophobicContact CD1-CE1 4.38Å; L37-F80 HydrophobicContact CD1-CG 3.94Å; E76-F80 VanDerWaalsContact O-CD2 3.27Å; E76-F80 WeakPolarHBondContact O-CD2 3.28Å; E76-F80 PolarHBondContact O-N 3.44Å; F80-G84 PolarHBondContact O-N 2.95Å; F80-G84 VanDerWaalsContact O-N 3.12Å; F80-R85 HydrophobicContact CB-CB 4.25Å; F80-R85 HydrophobicContact CD1-CB 3.67Å; F80-R85 HydrophobicContact CE1-CB 4.2Å; F80-R85 HydrophobicContact CG-CB 4.02Å; F80-R85 PolarHBondContact O-N 2.89Å; F80-T86 HydrophobicContact CB-CG2 4.33Å; F80-T86 HydrophobicContact CD1-CG2 3.73Å; F80-M92 HydrophobicContact CB-CE 3.85Å
81S87Confident86.3Confident1 Ų141.6 Ų41.61%0.00721%0.21CC..Hα-helixtrans-63.7-57174.1-161.80000111.2I77 K78 L79 E83 G84 M92 R120I77-S81 WeakPolarHBondContact O-CB 3.47Å; I77-S81 PolarHBondContact O-N 3.37Å; K78-S81 WeakPolarHBondContact O-CB 3.27Å; K78-S81 PolarHBondContact O-N 3.09Å; L79-S81 PolarHBondContact O-N 3.06Å; S81-E83 VanDerWaalsContact C-N 3.35Å; S81-E83 PolarHBondContact O-N 3.3Å; S81-G84 PolarHBondContact O-N 3.4Å; S81-M92 WeakPolarHBondContact CB-SD 3.44Å; S81-R120 PolarHBondContact O-NH1 3.26Å; S81-R120 PolarHBondContact O-NH2 2.69Å; S81-R120 PolarHBondContact OG-NH2 2.88Å
82Q84.6Confident86.2Confident87 Ų8738.7 Ų38.741%0.40719%0.19SC..Hα-helixtrans-62.8-39.5-170-75.1179.1-7.800112.7K78 L79 E117 R318K78-Q82 WeakPolarHBondContact O-CB 3.45Å; K78-Q82 VanDerWaalsContact O-CG 3.3Å; K78-Q82 WeakPolarHBondContact O-CG 3.23Å; K78-Q82 PolarHBondContact O-N 3.49Å; L79-Q82 PolarHBondContact O-N 3.24Å; L79-Q82 VanDerWaalsContact O-N 3.14Å; Q82-E117 PolarHBondContact NE2-OE2 3.18Å; Q82-R318 PolarHBondContact O-NH1 3.48Å
83E79.8Confident86.2Confident102 Ų10234.3 Ų34.348%0.47717%0.17SC..Hα-helixtrans-79.4-25.7177.6-66.7174.5-178.700111.6L79 S81 R85L79-E83 VanDerWaalsContact CD2-OE2 3.25Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.43Å; L79-E83 WeakPolarHBondContact O-CB 3.1Å; L79-E83 PolarHBondContact O-N 2.97Å; S81-E83 VanDerWaalsContact C-N 3.35Å; S81-E83 PolarHBondContact O-N 3.3Å; E83-R85 HydrophobicContact CB-CG 3.95Å; E83-R85 WeakPolarHBondContact OE2-CD 3.4Å; E83-R85 IonicContact OE2-NH1 2.72Å
84G72.2Confident86.1Confident27 Ų2736.3 Ų36.328%0.27818%0.178SC..THydrogen-bonded Turntrans78.539.4-17700000111.8F80 S81 T86 T524F80-G84 PolarHBondContact O-N 2.95Å; F80-G84 VanDerWaalsContact O-N 3.12Å; S81-G84 PolarHBondContact O-N 3.4Å; G84-T86 PolarHBondContact O-N 3.01Å; G84-T524 PolarHBondContact O-OG1 3.38Å
85R74Confident86.1Confident30 Ų3036 Ų3611%0.11318%0.177CC..  trans-67-23-178.1-75.6-179.572.3171.63.9114.2F80 E83 D523 T524F80-R85 HydrophobicContact CB-CB 4.25Å; F80-R85 HydrophobicContact CD1-CB 3.67Å; F80-R85 HydrophobicContact CE1-CB 4.2Å; F80-R85 HydrophobicContact CG-CB 4.02Å; F80-R85 PolarHBondContact O-N 2.89Å; E83-R85 HydrophobicContact CB-CG 3.95Å; E83-R85 WeakPolarHBondContact OE2-CD 3.4Å; E83-R85 IonicContact OE2-NH1 2.72Å; R85-D523 VanDerWaalsContact CB-OD1 3.32Å; R85-D523 WeakPolarHBondContact CB-OD1 3.46Å; R85-D523 WeakPolarHBondContact CG-OD1 3.36Å; R85-D523 IonicContact CZ-OD1 3.79Å; R85-D523 IonicContact CZ-OD2 2.74Å; R85-D523 IonicContact NE-OD1 2.59Å; R85-D523 PolarHBondContact NE-OD1 3.34Å; R85-D523 IonicContact NE-OD2 3.65Å; R85-D523 PolarHBondContact NE-OD2 2.71Å; R85-D523 VanDerWaalsContact NE-OD2 3.07Å; R85-D523 IonicContact NH2-OD1 2.97Å; R85-D523 IonicContact NH2-OD2 3.8Å; R85-D523 PolarHBondContact NH2-OD2 3.46Å; R85-T524 WeakPolarHBondContact CA-OG1 3.48Å; R85-T524 PolarHBondContact O-N 2.78Å
86T73.1Confident86.1Confident6 Ų631 Ų314%0.03715%0.154CC..  trans-106.1141-176.572.30000112.1L37 F80 G84 K88 Q89 M92L37-T86 HydrophobicContact CB-CG2 4.1Å; L37-T86 WeakPolarHBondContact O-CG2 3.39Å; F80-T86 HydrophobicContact CB-CG2 4.33Å; F80-T86 HydrophobicContact CD1-CG2 3.73Å; G84-T86 PolarHBondContact O-N 3.01Å; T86-K88 VanDerWaalsContact CB-O 3.26Å; T86-K88 WeakPolarHBondContact CB-O 3.47Å; T86-K88 PolarHBondContact OG1-O 3.47Å; T86-Q89 PolarHBondContact OG1-NE2 3.42Å; T86-M92 HydrophobicContact CG2-CE 3.83Å
87T68.4Low86.2Confident31 Ų3128.7 Ų28.719%0.1914%0.143CC..SBendtrans-77.4-33.7174.556.60000112.5L386T87-L386 WeakPolarHBondContact OG1-CD1 3.42Å
88K77.9Confident86.3Confident57 Ų5728.9 Ų28.925%0.24814%0.144CC..  trans-112.8153174.3-73.9-167-174.5179.80110.7E42 T86 E90 L386E42-K88 IonicContact OE2-NZ 3.96Å; E42-K88 PolarHBondContact OE2-NZ 3.42Å; T86-K88 VanDerWaalsContact CB-O 3.26Å; T86-K88 WeakPolarHBondContact CB-O 3.47Å; T86-K88 PolarHBondContact OG1-O 3.47Å; K88-E90 WeakPolarHBondContact CB-OE2 3.43Å; K88-L386 HydrophobicContact CB-CD2 4.36Å; K88-L386 HydrophobicContact CD-CD2 3.94Å; K88-L386 VanDerWaalsContact CE-O 3.24Å; K88-L386 WeakPolarHBondContact CE-O 3.33Å; K88-L386 HydrophobicContact CG-CD2 4.11Å; K88-L386 PolarHBondContact NZ-O 3.47Å
89Q85.6Confident86.3Confident39 Ų3927 Ų2718%0.18214%0.135CC..SBendtrans-104.8-19.4-175.4-59.4-63.2-58.300111.7T86 M92 L93T86-Q89 PolarHBondContact OG1-NE2 3.42Å; Q89-M92 WeakPolarHBondContact O-CB 3.45Å; Q89-M92 PolarHBondContact O-N 2.97Å; Q89-L93 HydrophobicContact CB-CD1 4.17Å; Q89-L93 VanDerWaalsContact O-CG 3.25Å; Q89-L93 WeakPolarHBondContact O-CG 3.37Å; Q89-L93 PolarHBondContact O-N 3.07Å
90E89.1Confident86.6Confident87 Ų8725 Ų2541%0.40713%0.125SC..Hα-helixtrans-55.7-47.2-176.7-66.676.1-174.600113.2K88 M92 L93 F94 T127 F131K88-E90 WeakPolarHBondContact CB-OE2 3.43Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.46Å; E90-L93 PolarHBondContact O-N 3.47Å; E90-F94 WeakPolarHBondContact O-CB 3.3Å; E90-F94 PolarHBondContact O-N 3.27Å; E90-T127 HydrophobicContact CG-CG2 4.47Å; E90-F131 HydrophobicContact CB-CE2 4.36Å; E90-F131 HydrophobicContact CB-CZ 4.2Å; E90-F131 VanDerWaalsContact O-CE2 3.29Å; E90-F131 WeakPolarHBondContact O-CE2 3.43Å
91P89.6Confident86.8Confident9 Ų925.6 Ų25.66%0.05813%0.128CC..Hα-helixtrans-62.5-40.1-179.8-22.835.6000112.7F36 G40 F94 A95F36-P91 HydrophobicContact CD1-CB 4.12Å; F36-P91 HydrophobicContact CE1-CB 3.8Å; F36-P91 WeakPolarHBondContact CE1-O 3.36Å; F36-P91 HydrophobicContact CE2-CB 4.28Å; F36-P91 HydrophobicContact CG-CB 4.49Å; F36-P91 HydrophobicContact CZ-CB 3.9Å; F36-P91 WeakPolarHBondContact O-CB 3.42Å; G40-P91 VanDerWaalsContact CA-CG 3.4Å; P91-F94 PolarHBondContact O-N 3.34Å; P91-A95 WeakPolarHBondContact O-CB 3.42Å; P91-A95 PolarHBondContact O-N 3.17Å
92M92.2Very high87Confident0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-64.8-43.9177.2-174.5-170.1-62.800112.2L37 I77 F80 S81 T86 Q89 E90 F94 A95 L96 V118L37-M92 HydrophobicContact CD2-CB 3.96Å; L37-M92 HydrophobicContact CD2-CG 4.38Å; I77-M92 HydrophobicContact CG2-CG 3.69Å; F80-M92 HydrophobicContact CB-CE 3.85Å; S81-M92 WeakPolarHBondContact CB-SD 3.44Å; T86-M92 HydrophobicContact CG2-CE 3.83Å; Q89-M92 WeakPolarHBondContact O-CB 3.45Å; Q89-M92 PolarHBondContact O-N 2.97Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.46Å; M92-F94 VanDerWaalsContact C-N 3.33Å; M92-A95 PolarHBondContact O-N 3.35Å; M92-L96 WeakPolarHBondContact O-CB 3.39Å; M92-L96 PolarHBondContact O-N 2.9Å; M92-V118 HydrophobicContact CG-CG1 4.19Å; M92-V118 HydrophobicContact SD-CG1 3.83Å
93L94.8Very high87Confident2 Ų227.7 Ų27.71%0.0115%0.152CC..Hα-helixtrans-69.2-33.4178-63.6169.2000111.9Q89 E90 A97 V118 H124 T127 F128 F131Q89-L93 HydrophobicContact CB-CD1 4.17Å; Q89-L93 VanDerWaalsContact O-CG 3.25Å; Q89-L93 WeakPolarHBondContact O-CG 3.37Å; Q89-L93 PolarHBondContact O-N 3.07Å; E90-L93 PolarHBondContact O-N 3.47Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.03Å; L93-V118 HydrophobicContact CD2-CG1 4.04Å; L93-H124 HydrophobicContact CD1-CB 3.93Å; L93-H124 HydrophobicContact CD2-CB 3.99Å; L93-T127 HydrophobicContact CB-CG2 4.3Å; L93-T127 HydrophobicContact CD1-CG2 3.78Å; L93-F128 HydrophobicContact CD2-CB 4.32Å; L93-F131 HydrophobicContact CB-CD2 4.15Å; L93-F131 HydrophobicContact CB-CE2 4.18Å
94F94.4Very high87.6Confident42 Ų4225.2 Ų25.218%0.18414%0.142CC..Hα-helixtrans-66.7-47.1172.9179.3-102.6000111.5F36 A58 E90 P91 M92 L96 A97 I98 F131 L135F36-F94 AromaticContact CE1-CD1 3.86Å; F36-F94 HydrophobicContact CE1-CD1 3.86Å; F36-F94 AromaticContact CZ-CD1 3.68Å; F36-F94 HydrophobicContact CZ-CD1 3.68Å; F36-F94 HydrophobicContact CZ-CE1 4.28Å; A58-F94 HydrophobicContact CB-CE1 4.16Å; A58-F94 HydrophobicContact CB-CZ 4.35Å; E90-F94 WeakPolarHBondContact O-CB 3.3Å; E90-F94 PolarHBondContact O-N 3.27Å; P91-F94 PolarHBondContact O-N 3.34Å; M92-F94 VanDerWaalsContact C-N 3.33Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 3.37Å; F94-A97 WeakPolarHBondContact O-CA 3.3Å; F94-A97 WeakPolarHBondContact O-CB 3.36Å; F94-A97 PolarHBondContact O-N 3.18Å; F94-A97 VanDerWaalsContact O-N 3.07Å; F94-I98 HydrophobicContact CD1-CD1 3.92Å; F94-I98 HydrophobicContact CE1-CD1 3.33Å; F94-I98 HydrophobicContact CE1-CG1 4.36Å; F94-I98 HydrophobicContact CE2-CD1 4.37Å; F94-I98 HydrophobicContact CZ-CD1 3.6Å; F94-I98 HydrophobicContact CZ-CG1 4.36Å; F94-I98 PolarHBondContact O-N 3.37Å; F94-F131 HydrophobicContact CB-CD2 3.89Å; F94-F131 HydrophobicContact CB-CE2 3.85Å; F94-F131 HydrophobicContact CB-CG 4.24Å; F94-F131 HydrophobicContact CB-CZ 4.19Å; F94-F131 HydrophobicContact CD2-CB 4.3Å; F94-F131 AromaticContact CD2-CD1 3.79Å; F94-F131 HydrophobicContact CD2-CD1 3.79Å; F94-F131 HydrophobicContact CD2-CD2 4.47Å; F94-F131 HydrophobicContact CD2-CE1 4.16Å; F94-F131 AromaticContact CD2-CG 3.97Å; F94-F131 HydrophobicContact CD2-CG 3.97Å; F94-L135 HydrophobicContact CE2-CD1 4.35Å; F94-L135 HydrophobicContact CE2-CD2 3.98Å; F94-L135 HydrophobicContact CE2-CG 4.33Å; F94-L135 HydrophobicContact CZ-CD2 4.25Å
95A94.8Very high88.5Confident0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-60.9-43.2176.500000111.9L33 L37 L61 I77 P91 M92 A97 I98 C99L33-A95 HydrophobicContact CD1-CB 4.28Å; L37-A95 HydrophobicContact CD2-CB 4.36Å; L61-A95 HydrophobicContact CD2-CB 3.76Å; I77-A95 HydrophobicContact CD1-CB 3.72Å; I77-A95 HydrophobicContact CG1-CB 4.42Å; P91-A95 WeakPolarHBondContact O-CB 3.42Å; P91-A95 PolarHBondContact O-N 3.17Å; M92-A95 PolarHBondContact O-N 3.35Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.2Å; A95-I98 PolarHBondContact O-N 2.64Å; A95-C99 PolarHBondContact O-N 3.06Å; A95-C99 PolarHBondContact O-SG 3.19Å
96L96.4Very high89.5Confident0 Ų030.8 Ų30.80%017%0.171CC..Hα-helixtrans-62.4-37.1173.6-173.165.9000111.9I74 I77 M92 F94 C99 S100 A111 A114 V115 V118 F128I74-L96 HydrophobicContact CD1-CD1 3.76Å; I77-L96 HydrophobicContact CG2-CB 4.47Å; M92-L96 WeakPolarHBondContact O-CB 3.39Å; M92-L96 PolarHBondContact O-N 2.9Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 3.37Å; L96-C99 PolarHBondContact O-N 3.5Å; L96-S100 WeakPolarHBondContact O-CB 3.3Å; L96-S100 PolarHBondContact O-N 3.34Å; L96-S100 PolarHBondContact O-OG 3.33Å; L96-A111 HydrophobicContact CD1-CB 4.04Å; L96-A114 HydrophobicContact CD1-CB 4.3Å; L96-V115 HydrophobicContact CD2-CG2 4.4Å; L96-V118 HydrophobicContact CD2-CB 4.05Å; L96-V118 HydrophobicContact CD2-CG1 4Å; L96-V118 HydrophobicContact CD2-CG2 4.41Å; L96-F128 HydrophobicContact CB-CD2 4.41Å; L96-F128 HydrophobicContact CB-CE2 4.31Å; L96-F128 HydrophobicContact CD2-CD2 4.16Å; L96-F128 HydrophobicContact CD2-CE2 4.05Å; L96-F128 HydrophobicContact CG-CD2 4.22Å; L96-F128 HydrophobicContact CG-CE2 3.81Å
97A95.2Very high90.6Very high0 Ų030.5 Ų30.50%017%0.169CC..Hα-helixtrans-62.6-46.9176.800000111.5L93 F94 A95 S100 Q101 F128 F131 K132 L135L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.03Å; F94-A97 WeakPolarHBondContact O-CA 3.3Å; F94-A97 WeakPolarHBondContact O-CB 3.36Å; F94-A97 PolarHBondContact O-N 3.18Å; F94-A97 VanDerWaalsContact O-N 3.07Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.2Å; A97-S100 PolarHBondContact O-N 3.23Å; A97-S100 PolarHBondContact O-OG 3.28Å; A97-Q101 PolarHBondContact O-N 2.92Å; A97-F128 HydrophobicContact CB-CD2 4.07Å; A97-F128 HydrophobicContact CB-CE2 4.23Å; A97-F131 HydrophobicContact CB-CB 3.71Å; A97-K132 HydrophobicContact CB-CG 3.82Å; A97-L135 HydrophobicContact CB-CD1 3.86Å
98I94.1Very high91.8Very high4 Ų432.9 Ų32.92%0.02118%0.177CC..Hα-helixtrans-57.6-52174.5-69.8173.4000110.6A58 L61 I62 I65 F94 A95 S100 Q101 C102 L135 M139A58-I98 HydrophobicContact CB-CD1 4.08Å; L61-I98 HydrophobicContact CD2-CB 3.79Å; L61-I98 HydrophobicContact CD2-CD1 3.74Å; L61-I98 HydrophobicContact CD2-CG1 4.31Å; L61-I98 HydrophobicContact CD2-CG2 3.82Å; L61-I98 HydrophobicContact CG-CG2 4.1Å; I62-I98 HydrophobicContact CG1-CG2 4.38Å; I65-I98 HydrophobicContact CD1-CG2 4.01Å; F94-I98 HydrophobicContact CD1-CD1 3.92Å; F94-I98 HydrophobicContact CE1-CD1 3.33Å; F94-I98 HydrophobicContact CE1-CG1 4.36Å; F94-I98 HydrophobicContact CE2-CD1 4.37Å; F94-I98 HydrophobicContact CZ-CD1 3.6Å; F94-I98 HydrophobicContact CZ-CG1 4.36Å; F94-I98 PolarHBondContact O-N 3.37Å; A95-I98 PolarHBondContact O-N 2.64Å; I98-S100 PolarHBondContact O-N 3.22Å; I98-Q101 CarbonylContact O-C 3.52Å; I98-Q101 PolarHBondContact O-N 3.48Å; I98-C102 PolarHBondContact O-N 2.95Å; I98-L135 HydrophobicContact CG1-CD1 3.6Å; I98-L135 HydrophobicContact CG1-CD2 4.16Å; I98-M139 HydrophobicContact CG2-CE 4.46Å
99C95Very high92.6Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-60.9-29179.5-62.40000112.9I74 A95 L96 Q101 C102 T107 K108 A111I74-C99 HydrophobicContact CD1-CB 3.5Å; I74-C99 HydrophobicContact CG1-CB 4.36Å; A95-C99 PolarHBondContact O-N 3.06Å; A95-C99 PolarHBondContact O-SG 3.19Å; L96-C99 PolarHBondContact O-N 3.5Å; C99-Q101 VanDerWaalsContact C-N 3.3Å; C99-Q101 PolarHBondContact O-N 3.11Å; C99-C102 PolarHBondContact O-SG 3.43Å; C99-T107 HydrophobicContact CB-CG2 3.9Å; C99-K108 WeakPolarHBondContact O-CA 3.48Å; C99-A111 HydrophobicContact CB-CB 4.01Å
100S94.4Very high93.1Very high1 Ų134.8 Ų34.81%0.00719%0.191CC..THydrogen-bonded Turntrans-81.7-6.9177.275.80000114.3L96 A97 I98 K132L96-S100 WeakPolarHBondContact O-CB 3.3Å; L96-S100 PolarHBondContact O-N 3.34Å; L96-S100 PolarHBondContact O-OG 3.33Å; A97-S100 PolarHBondContact O-N 3.23Å; A97-S100 PolarHBondContact O-OG 3.28Å; I98-S100 PolarHBondContact O-N 3.22Å; S100-K132 PolarHBondContact OG-NZ 2.87Å
101Q91.1Very high93.4Very high13 Ų1330.7 Ų30.76%0.06117%0.172CC..THydrogen-bonded Turntrans-118-1.3179.2-77.7179.4-45.100113.7A97 I98 C99 K132 M139A97-Q101 PolarHBondContact O-N 2.92Å; I98-Q101 CarbonylContact O-C 3.52Å; I98-Q101 PolarHBondContact O-N 3.48Å; C99-Q101 VanDerWaalsContact C-N 3.3Å; C99-Q101 PolarHBondContact O-N 3.11Å; Q101-K132 PolarHBondContact NE2-O 3.29Å; Q101-K132 PolarHBondContact OE1-O 3.46Å; Q101-M139 HydrophobicContact CB-CE 3.94Å; Q101-M139 HydrophobicContact CB-SD 3.67Å
102C89.7Confident93.7Very high13 Ų1331.5 Ų31.59%0.08817%0.174CC..SBendtrans-65.6164.2176.469.10000112.9I65 I98 C99 D104I65-C102 HydrophobicContact CD1-CB 4.22Å; I65-C102 HydrophobicContact CG2-CB 3.85Å; I98-C102 PolarHBondContact O-N 2.95Å; C99-C102 PolarHBondContact O-SG 3.43Å; C102-D104 PolarHBondContact SG-O 3.44Å; C102-D104 VanDerWaalsContact SG-O 3.41Å
103S86.3Confident93.8Very high119 Ų11938.7 Ų38.783%0.83221%0.206SC*.SBendtrans-70.7-35174.946.40000112.3I105S103-I105 PolarHBondContact O-N 2.68Å
104D91.1Very high93.9Very high50 Ų5038.7 Ų38.727%0.26721%0.206SC..  trans-64.8122.5179.6176.739.8000112.2I65 C102 S106 T107 K108I65-D104 HydrophobicContact CG2-CB 4.26Å; C102-D104 PolarHBondContact SG-O 3.44Å; C102-D104 VanDerWaalsContact SG-O 3.41Å; D104-S106 PolarHBondContact OD1-N 2.88Å; D104-S106 PolarHBondContact OD1-OG 3.17Å; D104-S106 PolarHBondContact OD2-OG 3.33Å; D104-T107 WeakPolarHBondContact OD2-CB 3.15Å; D104-T107 PolarHBondContact OD2-N 3.02Å; D104-T107 PolarHBondContact OD2-OG1 2.61Å; D104-K108 VanDerWaalsContact O-CB 3.26Å; D104-K108 WeakPolarHBondContact O-CB 3.11Å; D104-K108 PolarHBondContact O-N 3.44Å; D104-K108 VanDerWaalsContact O-N 3.14Å
105I92.4Very high93.9Very high117 Ų11736.8 Ų36.860%0.620%0.197SC*.Hα-helixtrans-70.2-38.6-176.1-62.3174.1000110.5S103 K108 Q109S103-I105 PolarHBondContact O-N 2.68Å; I105-K108 PolarHBondContact O-N 2.97Å; I105-Q109 HydrophobicContact CG2-CG 4.34Å; I105-Q109 WeakPolarHBondContact O-CB 3.43Å; I105-Q109 VanDerWaalsContact O-CG 3.3Å; I105-Q109 WeakPolarHBondContact O-CG 3.45Å; I105-Q109 PolarHBondContact O-N 3.31Å
106S94.6Very high93.8Very high57 Ų5738.4 Ų38.440%0.39921%0.209SC..Hα-helixtrans-66-49.2-175.279.10000110.8D104 K108 Q109 A110D104-S106 PolarHBondContact OD1-N 2.88Å; D104-S106 PolarHBondContact OD1-OG 3.17Å; D104-S106 PolarHBondContact OD2-OG 3.33Å; S106-K108 PolarHBondContact O-N 3.34Å; S106-Q109 PolarHBondContact O-N 3.13Å; S106-A110 PolarHBondContact O-N 2.92Å
107T95.3Very high93.6Very high0 Ų041.6 Ų41.60%022%0.224CC..Hα-helixtrans-59.9-45.7175.3-60.80000111.1I65 G70 I74 C99 D104 Q109 A110 A111I65-T107 HydrophobicContact CG1-CG2 4.48Å; G70-T107 WeakPolarHBondContact CA-OG1 3.46Å; I74-T107 HydrophobicContact CG1-CG2 4.46Å; C99-T107 HydrophobicContact CB-CG2 3.9Å; D104-T107 WeakPolarHBondContact OD2-CB 3.15Å; D104-T107 PolarHBondContact OD2-N 3.02Å; D104-T107 PolarHBondContact OD2-OG1 2.61Å; T107-Q109 PolarHBondContact O-N 3.42Å; T107-A110 PolarHBondContact O-N 3.26Å; T107-A111 WeakPolarHBondContact O-CB 3.34Å; T107-A111 PolarHBondContact O-N 2.96Å
108K94.3Very high93.5Very high81 Ų8141.6 Ų41.635%0.35222%0.224SC..Hα-helixtrans-61.6-41.8178.8-176.1172.9-174.4169.60112.7C99 D104 I105 S106 A111 F112C99-K108 WeakPolarHBondContact O-CA 3.48Å; D104-K108 VanDerWaalsContact O-CB 3.26Å; D104-K108 WeakPolarHBondContact O-CB 3.11Å; D104-K108 PolarHBondContact O-N 3.44Å; D104-K108 VanDerWaalsContact O-N 3.14Å; I105-K108 PolarHBondContact O-N 2.97Å; S106-K108 PolarHBondContact O-N 3.34Å; K108-A111 PolarHBondContact O-N 3.21Å; K108-F112 HydrophobicContact CD-CE2 4.35Å; K108-F112 HydrophobicContact CG-CD2 3.95Å; K108-F112 HydrophobicContact CG-CE2 3.63Å; K108-F112 WeakPolarHBondContact O-CD2 3.4Å; K108-F112 PolarHBondContact O-N 3.25Å; K108-F112 VanDerWaalsContact O-N 3.11Å
109Q94.4Very high93.6Very high111 Ų11141.4 Ų41.452%0.51922%0.223SC..Hα-helixtrans-66.1-43.2175.9-73-179.211.600111.7I105 S106 T107 F112 K113I105-Q109 HydrophobicContact CG2-CG 4.34Å; I105-Q109 WeakPolarHBondContact O-CB 3.43Å; I105-Q109 VanDerWaalsContact O-CG 3.3Å; I105-Q109 WeakPolarHBondContact O-CG 3.45Å; I105-Q109 PolarHBondContact O-N 3.31Å; S106-Q109 PolarHBondContact O-N 3.13Å; T107-Q109 PolarHBondContact O-N 3.42Å; Q109-F112 PolarHBondContact O-N 3.3Å; Q109-K113 WeakPolarHBondContact O-CG 3.29Å; Q109-K113 PolarHBondContact O-N 3.33Å; Q109-K113 VanDerWaalsContact O-N 3.11Å
110A95.8Very high93.4Very high25 Ų2546.1 Ų46.121%0.20724%0.241CC..Hα-helixtrans-60.7-44.7175.200000111.3I74 S106 T107 F112 K113 A114I74-A110 HydrophobicContact CB-CB 4.28Å; I74-A110 HydrophobicContact CG1-CB 4.19Å; I74-A110 HydrophobicContact CG2-CB 4.08Å; S106-A110 PolarHBondContact O-N 2.92Å; T107-A110 PolarHBondContact O-N 3.26Å; A110-F112 PolarHBondContact O-N 3.1Å; A110-K113 PolarHBondContact O-N 3.03Å; A110-A114 PolarHBondContact O-N 2.8Å
111A96.1Very high93.3Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-57.9-47.2177.700000111.8I74 L96 C99 T107 K108 K113 A114 V115I74-A111 HydrophobicContact CD1-CB 3.72Å; I74-A111 HydrophobicContact CG1-CB 4.28Å; L96-A111 HydrophobicContact CD1-CB 4.04Å; C99-A111 HydrophobicContact CB-CB 4.01Å; T107-A111 WeakPolarHBondContact O-CB 3.34Å; T107-A111 PolarHBondContact O-N 2.96Å; K108-A111 PolarHBondContact O-N 3.21Å; A111-K113 PolarHBondContact O-N 2.85Å; A111-A114 PolarHBondContact O-N 3.24Å; A111-V115 WeakPolarHBondContact O-CG2 3.25Å; A111-V115 PolarHBondContact O-N 2.82Å
112F95.9Very high93.5Very high26 Ų2648.2 Ų48.211%0.11425%0.252CS..Hα-helixtrans-67.3-35.1178.8-77.2-58.4000113.4K108 Q109 A110 A114 V115 A147 L148 A151K108-F112 HydrophobicContact CD-CE2 4.35Å; K108-F112 HydrophobicContact CG-CD2 3.95Å; K108-F112 HydrophobicContact CG-CE2 3.63Å; K108-F112 WeakPolarHBondContact O-CD2 3.4Å; K108-F112 PolarHBondContact O-N 3.25Å; K108-F112 VanDerWaalsContact O-N 3.11Å; Q109-F112 PolarHBondContact O-N 3.3Å; A110-F112 PolarHBondContact O-N 3.1Å; F112-A114 VanDerWaalsContact C-N 3.3Å; F112-V115 HydrophobicContact CD1-CG2 4.39Å; F112-V115 WeakPolarHBondContact O-CB 3.4Å; F112-V115 PolarHBondContact O-N 3.47Å; F112-A147 HydrophobicContact CD2-CB 3.64Å; F112-A147 HydrophobicContact CE2-CB 3.5Å; F112-A147 HydrophobicContact CG-CB 4.33Å; F112-A147 HydrophobicContact CZ-CB 4.1Å; F112-L148 HydrophobicContact CE1-CB 4.02Å; F112-L148 HydrophobicContact CE1-CD1 3.89Å; F112-L148 HydrophobicContact CZ-CB 4.22Å; F112-A151 HydrophobicContact CB-CB 4.25Å; F112-A151 HydrophobicContact CD1-CB 3.68Å; F112-A151 HydrophobicContact CG-CB 4.33Å
113K94.8Very high93.6Very high152 Ų15249 Ų4966%0.66126%0.256SS*.Hα-helixtrans-65-36.2173.1-72.3176-179.4178.10111.7Q109 A110 A111 V115Q109-K113 WeakPolarHBondContact O-CG 3.29Å; Q109-K113 PolarHBondContact O-N 3.33Å; Q109-K113 VanDerWaalsContact O-N 3.11Å; A110-K113 PolarHBondContact O-N 3.03Å; A111-K113 PolarHBondContact O-N 2.85Å; K113-V115 VanDerWaalsContact C-N 3.25Å; K113-V115 PolarHBondContact O-N 3.27Å
114A95.7Very high94Very high1 Ų144.6 Ų44.61%0.00822%0.222CC..Hα-helixtrans-72.4-12.9178.900000114.1I74 K78 L96 A110 A111 F112 S116 E117 V118I74-A114 HydrophobicContact CG2-CB 3.84Å; K78-A114 HydrophobicContact CD-CB 3.83Å; K78-A114 HydrophobicContact CG-CB 3.78Å; L96-A114 HydrophobicContact CD1-CB 4.3Å; A110-A114 PolarHBondContact O-N 2.8Å; A111-A114 PolarHBondContact O-N 3.24Å; F112-A114 VanDerWaalsContact C-N 3.3Å; A114-S116 PolarHBondContact O-N 3.06Å; A114-E117 PolarHBondContact O-N 3.49Å; A114-V118 HydrophobicContact CB-CG2 4.36Å; A114-V118 WeakPolarHBondContact O-CB 3.43Å; A114-V118 WeakPolarHBondContact O-CG2 3.5Å; A114-V118 PolarHBondContact O-N 2.77Å
115V95.5Very high94.3Very high2 Ų242.2 Ų42.21%0.01221%0.21CC..Hα-helixtrans-58.1-44.3-174.7170.50000112.3L96 A111 F112 K113 E117 C119 L125 F128L96-V115 HydrophobicContact CD2-CG2 4.4Å; A111-V115 WeakPolarHBondContact O-CG2 3.25Å; A111-V115 PolarHBondContact O-N 2.82Å; F112-V115 HydrophobicContact CD1-CG2 4.39Å; F112-V115 WeakPolarHBondContact O-CB 3.4Å; F112-V115 PolarHBondContact O-N 3.47Å; K113-V115 VanDerWaalsContact C-N 3.25Å; K113-V115 PolarHBondContact O-N 3.27Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 3.32Å; V115-C119 HydrophobicContact CG1-CB 4.36Å; V115-C119 WeakPolarHBondContact O-CA 3.4Å; V115-C119 WeakPolarHBondContact O-CB 3.28Å; V115-C119 PolarHBondContact O-N 3.37Å; V115-L125 HydrophobicContact CG1-CD1 4.27Å; V115-F128 HydrophobicContact CG2-CE1 3.94Å; V115-F128 HydrophobicContact CG2-CZ 3.84Å
116S91.8Very high94.5Very high35 Ų3536.6 Ų36.625%0.24518%0.181CC..Hα-helixtrans-67.5-34.3-178.852.60000112.9A114 E158A114-S116 PolarHBondContact O-N 3.06Å; S116-E158 WeakPolarHBondContact CB-OE2 3.14Å; S116-E158 PolarHBondContact OG-OE2 3.32Å
117E92Very high94.5Very high66 Ų6634 Ų3431%0.30816%0.163SC..Hα-helixtrans-75.1-39.5180-60.3178.4-11000112.5K78 Q82 A114 V115 R120K78-E117 VanDerWaalsContact CE-CD 3.48Å; K78-E117 WeakPolarHBondContact CE-OE1 3.14Å; K78-E117 WeakPolarHBondContact CE-OE2 3.27Å; K78-E117 IonicContact NZ-OE1 3.89Å; K78-E117 PolarHBondContact NZ-OE1 3.46Å; K78-E117 IonicContact NZ-OE2 3.47Å; K78-E117 PolarHBondContact NZ-OE2 3.12Å; Q82-E117 PolarHBondContact NE2-OE2 3.18Å; A114-E117 PolarHBondContact O-N 3.49Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 3.32Å; E117-R120 PolarHBondContact O-NE 3.42Å
118V93.8Very high94.6Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-84.1-46.3-178.6178.10000111.4I77 K78 M92 L93 L96 A114 R120 H124I77-V118 HydrophobicContact CG2-CG2 4.07Å; K78-V118 HydrophobicContact CG-CG2 4.3Å; M92-V118 HydrophobicContact CG-CG1 4.19Å; M92-V118 HydrophobicContact SD-CG1 3.83Å; L93-V118 HydrophobicContact CD2-CG1 4.04Å; L96-V118 HydrophobicContact CD2-CB 4.05Å; L96-V118 HydrophobicContact CD2-CG1 4Å; L96-V118 HydrophobicContact CD2-CG2 4.41Å; A114-V118 HydrophobicContact CB-CG2 4.36Å; A114-V118 WeakPolarHBondContact O-CB 3.43Å; A114-V118 WeakPolarHBondContact O-CG2 3.5Å; A114-V118 PolarHBondContact O-N 2.77Å; V118-R120 VanDerWaalsContact C-N 3.29Å; V118-R120 PolarHBondContact O-N 3.41Å; V118-H124 PolarHBondContact O-ND1 3.47Å
119C95Very high94.7Very high0 Ų030.2 Ų30.20%015%0.146CC..  trans-83.662.3-177.6-62.30000112.4V115 I121 H124 L125 W155V115-C119 HydrophobicContact CG1-CB 4.36Å; V115-C119 WeakPolarHBondContact O-CA 3.4Å; V115-C119 WeakPolarHBondContact O-CB 3.28Å; V115-C119 PolarHBondContact O-N 3.37Å; C119-I121 VanDerWaalsContact C-N 3.34Å; C119-I121 PolarHBondContact O-N 3.16Å; C119-H124 HydrophobicContact CB-CB 3.96Å; C119-L125 HydrophobicContact CB-CB 4.29Å; C119-W155 PolarHBondContact O-NE1 3.24Å
120R91.1Very high94.7Very high100 Ų10026.6 Ų26.638%0.37713%0.129SC..  trans-59.4-39.2-172.8-62.9178.5-172.6145.519.5115.2S81 E117 V118 K159S81-R120 PolarHBondContact O-NH1 3.26Å; S81-R120 PolarHBondContact O-NH2 2.69Å; S81-R120 PolarHBondContact OG-NH2 2.88Å; E117-R120 PolarHBondContact O-NE 3.42Å; V118-R120 VanDerWaalsContact C-N 3.29Å; V118-R120 PolarHBondContact O-N 3.41Å; R120-K159 PolarHBondContact O-NZ 2.91Å
121I91.9Very high94.6Very high56 Ų5627.6 Ų27.629%0.28713%0.129SC..SBendtrans-117.1159.5-176.463.5168.5000111.3C119 T123 H124 L125C119-I121 VanDerWaalsContact C-N 3.34Å; C119-I121 PolarHBondContact O-N 3.16Å; I121-T123 VanDerWaalsContact C-N 3.26Å; I121-T123 PolarHBondContact O-N 3.08Å; I121-H124 HydrophobicContact CG1-CB 4.49Å; I121-H124 VanDerWaalsContact CG1-CD2 3.41Å; I121-H124 WeakPolarHBondContact CG1-CD2 3.47Å; I121-H124 WeakPolarHBondContact CG1-NE2 3.38Å; I121-H124 WeakPolarHBondContact O-CB 3.37Å; I121-H124 PolarHBondContact O-N 2.99Å; I121-L125 PolarHBondContact O-N 3.31Å
122P95.3Very high94.5Very high1 Ų127.7 Ų27.71%0.00613%0.129CC..Hα-helixtrans-53.9-37.9179.7-29.836.2000114.6H124 L125 F126 W155 A167 Y171P122-H124 VanDerWaalsContact C-N 3.27Å; P122-H124 PolarHBondContact O-N 3.15Å; P122-L125 PolarHBondContact O-N 2.7Å; P122-F126 HydrophobicContact CB-CD2 4.15Å; P122-F126 HydrophobicContact CB-CE2 3.67Å; P122-F126 HydrophobicContact CB-CZ 4.26Å; P122-F126 WeakPolarHBondContact O-CB 3.49Å; P122-F126 WeakPolarHBondContact O-CD2 3.21Å; P122-F126 VanDerWaalsContact O-CG 3.23Å; P122-F126 WeakPolarHBondContact O-CG 3.3Å; P122-F126 PolarHBondContact O-N 2.93Å; P122-W155 HydrophobicContact CG-CH2 4.05Å; P122-A167 HydrophobicContact CG-CB 3.82Å; P122-Y171 HydrophobicContact CB-CD2 4.43Å; P122-Y171 HydrophobicContact CB-CG 4.28Å; P122-Y171 HydrophobicContact CG-CD2 3.92Å; P122-Y171 HydrophobicContact CG-CG 4.24Å
123T93.1Very high94.4Very high30 Ų3031.8 Ų31.818%0.18415%0.147CC..Hα-helixtrans-55.3-43.1176.3-54.40000111.6I121 F126 T127 Y171 R174I121-T123 VanDerWaalsContact C-N 3.26Å; I121-T123 PolarHBondContact O-N 3.08Å; T123-F126 PolarHBondContact O-N 3.29Å; T123-T127 WeakPolarHBondContact O-CB 3.22Å; T123-T127 PolarHBondContact O-N 2.92Å; T123-T127 PolarHBondContact O-OG1 3.33Å; T123-Y171 WeakPolarHBondContact OG1-CD1 3.44Å; T123-R174 HydrophobicContact CG2-CB 4.47Å; T123-R174 HydrophobicContact CG2-CG 4.34Å
124H94.9Very high94.1Very high26 Ų2628.9 Ų28.912%0.1214%0.139CC..Hα-helixtrans-65.3-45.2-179.4-60.5-176.6000110.7L93 V118 C119 I121 P122 F126 T127 F128L93-H124 HydrophobicContact CD1-CB 3.93Å; L93-H124 HydrophobicContact CD2-CB 3.99Å; V118-H124 PolarHBondContact O-ND1 3.47Å; C119-H124 HydrophobicContact CB-CB 3.96Å; I121-H124 HydrophobicContact CG1-CB 4.49Å; I121-H124 VanDerWaalsContact CG1-CD2 3.41Å; I121-H124 WeakPolarHBondContact CG1-CD2 3.47Å; I121-H124 WeakPolarHBondContact CG1-NE2 3.38Å; I121-H124 WeakPolarHBondContact O-CB 3.37Å; I121-H124 PolarHBondContact O-N 2.99Å; P122-H124 VanDerWaalsContact C-N 3.27Å; P122-H124 PolarHBondContact O-N 3.15Å; H124-F126 PolarHBondContact O-N 3.47Å; H124-T127 PolarHBondContact O-N 3.05Å; H124-F128 WeakPolarHBondContact O-CB 3.44Å; H124-F128 PolarHBondContact O-N 2.9Å
125L96.4Very high93.8Very high0 Ų029.6 Ų29.60%014%0.143CC..Hα-helixtrans-60-48.1177.3-17665.8000111V115 C119 I121 P122 T127 F128 I129 W155 Y156 L182V115-L125 HydrophobicContact CG1-CD1 4.27Å; C119-L125 HydrophobicContact CB-CB 4.29Å; I121-L125 PolarHBondContact O-N 3.31Å; P122-L125 PolarHBondContact O-N 2.7Å; L125-T127 PolarHBondContact O-N 3.18Å; L125-F128 PolarHBondContact O-N 2.85Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.31Å; L125-I129 PolarHBondContact O-N 3.46Å; L125-W155 HydrophobicContact CB-CZ2 4.45Å; L125-W155 HydrophobicContact CD2-CD2 3.72Å; L125-W155 HydrophobicContact CD2-CE3 3.73Å; L125-W155 HydrophobicContact CD2-CG 4.22Å; L125-W155 HydrophobicContact CD2-CH2 4.32Å; L125-W155 HydrophobicContact CD2-CZ2 4.32Å; L125-W155 HydrophobicContact CD2-CZ3 4.05Å; L125-Y156 HydrophobicContact CD2-CE2 4.47Å; L125-L182 HydrophobicContact CD2-CD1 3.51Å; L125-L182 HydrophobicContact CG-CD1 3.8Å
126F97.1Very high93.4Very high0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-62.4-42.8178.6-64-39.7000112.6P122 T123 H124 I129 Q130 R174 W177 H179 L182P122-F126 HydrophobicContact CB-CD2 4.15Å; P122-F126 HydrophobicContact CB-CE2 3.67Å; P122-F126 HydrophobicContact CB-CZ 4.26Å; P122-F126 WeakPolarHBondContact O-CB 3.49Å; P122-F126 WeakPolarHBondContact O-CD2 3.21Å; P122-F126 VanDerWaalsContact O-CG 3.23Å; P122-F126 WeakPolarHBondContact O-CG 3.3Å; P122-F126 PolarHBondContact O-N 2.93Å; T123-F126 PolarHBondContact O-N 3.29Å; H124-F126 PolarHBondContact O-N 3.47Å; F126-I129 PolarHBondContact O-N 3.11Å; F126-Q130 WeakPolarHBondContact O-CB 3.29Å; F126-Q130 PolarHBondContact O-N 3.49Å; F126-R174 HydrophobicContact CB-CB 4.39Å; F126-R174 HydrophobicContact CD2-CB 3.88Å; F126-R174 HydrophobicContact CD2-CG 4.38Å; F126-W177 HydrophobicContact CB-CB 4.07Å; F126-W177 HydrophobicContact CD1-CB 3.52Å; F126-W177 HydrophobicContact CE1-CB 4.22Å; F126-W177 HydrophobicContact CG-CB 3.98Å; F126-H179 AromaticContact CE2-NE2 3.97Å; F126-H179 AromaticContact CZ-CD2 3.75Å; F126-H179 AromaticContact CZ-CE1 3.63Å; F126-H179 AromaticContact CZ-CG 3.76Å; F126-H179 AromaticContact CZ-ND1 3.68Å; F126-H179 AromaticContact CZ-NE2 3.68Å; F126-L182 HydrophobicContact CD1-CD1 3.66Å; F126-L182 HydrophobicContact CD1-CG 4.21Å; F126-L182 HydrophobicContact CE1-CD1 3.5Å; F126-L182 VanDerWaalsContact CE1-CD1 3.5Å; F126-L182 HydrophobicContact CE1-CG 3.93Å
127T95.3Very high93.1Very high2 Ų241.3 Ų41.31%0.01219%0.192CC..Hα-helixtrans-63.6-43.7176-63.70000111.6E90 L93 T123 H124 L125 I129 Q130 F131 N175E90-T127 HydrophobicContact CG-CG2 4.47Å; L93-T127 HydrophobicContact CB-CG2 4.3Å; L93-T127 HydrophobicContact CD1-CG2 3.78Å; T123-T127 WeakPolarHBondContact O-CB 3.22Å; T123-T127 PolarHBondContact O-N 2.92Å; T123-T127 PolarHBondContact O-OG1 3.33Å; H124-T127 PolarHBondContact O-N 3.05Å; L125-T127 PolarHBondContact O-N 3.18Å; T127-I129 PolarHBondContact O-N 3.1Å; T127-Q130 PolarHBondContact O-N 2.71Å; T127-F131 HydrophobicContact CG2-CD2 3.75Å; T127-F131 HydrophobicContact CG2-CE2 3.31Å; T127-F131 HydrophobicContact CG2-CZ 3.98Å; T127-F131 WeakPolarHBondContact O-CD2 3.36Å; T127-F131 PolarHBondContact O-N 2.74Å; T127-N175 PolarHBondContact OG1-ND2 2.97Å; T127-N175 VanDerWaalsContact OG1-ND2 3.15Å
128F96.3Very high92.6Very high1 Ų142.3 Ų42.30%0.00421%0.206CC..Hα-helixtrans-58.7-46.4174.6168-108.2000112L93 L96 A97 V115 H124 L125 Q130 F131 K132 L148L93-F128 HydrophobicContact CD2-CB 4.32Å; L96-F128 HydrophobicContact CB-CD2 4.41Å; L96-F128 HydrophobicContact CB-CE2 4.31Å; L96-F128 HydrophobicContact CD2-CD2 4.16Å; L96-F128 HydrophobicContact CD2-CE2 4.05Å; L96-F128 HydrophobicContact CG-CD2 4.22Å; L96-F128 HydrophobicContact CG-CE2 3.81Å; A97-F128 HydrophobicContact CB-CD2 4.07Å; A97-F128 HydrophobicContact CB-CE2 4.23Å; V115-F128 HydrophobicContact CG2-CE1 3.94Å; V115-F128 HydrophobicContact CG2-CZ 3.84Å; H124-F128 WeakPolarHBondContact O-CB 3.44Å; H124-F128 PolarHBondContact O-N 2.9Å; L125-F128 PolarHBondContact O-N 2.85Å; F128-Q130 VanDerWaalsContact C-N 3.32Å; F128-Q130 PolarHBondContact O-N 3.2Å; F128-F131 PolarHBondContact O-N 3.4Å; F128-K132 HydrophobicContact CD1-CD 4.1Å; F128-K132 HydrophobicContact CD2-CD 4.37Å; F128-K132 HydrophobicContact CE1-CD 3.58Å; F128-K132 HydrophobicContact CE2-CD 3.88Å; F128-K132 HydrophobicContact CE2-CG 4.26Å; F128-K132 HydrophobicContact CG-CD 4.49Å; F128-K132 HydrophobicContact CZ-CD 3.49Å; F128-K132 VanDerWaalsContact CZ-CD 3.49Å; F128-K132 HydrophobicContact CZ-CG 4.35Å; F128-K132 WeakPolarHBondContact O-CG 3.22Å; F128-K132 PolarHBondContact O-N 3.33Å; F128-L148 HydrophobicContact CE1-CD1 4.23Å
129I95.8Very high92Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-64.5-38.7177.1-61.2-58.4000111.4L125 F126 T127 K132 K133 M143 L148 I152 W177 L182L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.31Å; L125-I129 PolarHBondContact O-N 3.46Å; F126-I129 PolarHBondContact O-N 3.11Å; T127-I129 PolarHBondContact O-N 3.1Å; I129-K132 PolarHBondContact O-N 3.03Å; I129-K133 PolarHBondContact O-N 3.09Å; I129-M143 HydrophobicContact CG2-CE 4.26Å; I129-M143 HydrophobicContact CG2-SD 4.34Å; I129-L148 HydrophobicContact CD1-CD1 3.7Å; I129-L148 HydrophobicContact CD1-CD2 4.31Å; I129-L148 HydrophobicContact CD1-CG 4.47Å; I129-I152 HydrophobicContact CD1-CD1 3.68Å; I129-I152 HydrophobicContact CD1-CG1 4.22Å; I129-I152 HydrophobicContact CG1-CD1 4.47Å; I129-W177 HydrophobicContact CG2-CD2 3.85Å; I129-W177 HydrophobicContact CG2-CE3 4.08Å; I129-W177 HydrophobicContact CG2-CH2 3.79Å; I129-W177 HydrophobicContact CG2-CZ2 3.53Å; I129-W177 HydrophobicContact CG2-CZ3 4.06Å; I129-L182 HydrophobicContact CB-CD2 4.45Å; I129-L182 HydrophobicContact CG1-CD2 3.97Å; I129-L182 HydrophobicContact CG2-CD2 4.12Å
130Q95.4Very high91.5Very high36 Ų3654.3 Ų54.317%0.16826%0.259CS..Hα-helixtrans-62.8-47175.8-176.750.941.100111.4F126 T127 F128 K132 K133 D134 N175F126-Q130 WeakPolarHBondContact O-CB 3.29Å; F126-Q130 PolarHBondContact O-N 3.49Å; T127-Q130 PolarHBondContact O-N 2.71Å; F128-Q130 VanDerWaalsContact C-N 3.32Å; F128-Q130 PolarHBondContact O-N 3.2Å; Q130-K132 VanDerWaalsContact C-N 3.33Å; Q130-K132 PolarHBondContact O-N 3.47Å; Q130-K133 WeakPolarHBondContact O-CA 3.46Å; Q130-K133 VanDerWaalsContact O-CB 3.29Å; Q130-K133 WeakPolarHBondContact O-CB 3.3Å; Q130-K133 PolarHBondContact O-N 3.04Å; Q130-D134 PolarHBondContact NE2-OD1 2.87Å; Q130-D134 PolarHBondContact NE2-OD2 2.81Å; Q130-D134 VanDerWaalsContact O-CG 3.3Å; Q130-D134 PolarHBondContact O-N 3Å; Q130-N175 HydrophobicContact CB-CB 4.47Å
131F94.3Very high91.1Very high45 Ų4551.1 Ų51.120%0.19725%0.252CS..Hα-helixtrans-60.7-40.6175.7-72.3-44.4000112.8E90 L93 F94 A97 T127 F128 K133 D134 L135E90-F131 HydrophobicContact CB-CE2 4.36Å; E90-F131 HydrophobicContact CB-CZ 4.2Å; E90-F131 VanDerWaalsContact O-CE2 3.29Å; E90-F131 WeakPolarHBondContact O-CE2 3.43Å; L93-F131 HydrophobicContact CB-CD2 4.15Å; L93-F131 HydrophobicContact CB-CE2 4.18Å; F94-F131 HydrophobicContact CB-CD2 3.89Å; F94-F131 HydrophobicContact CB-CE2 3.85Å; F94-F131 HydrophobicContact CB-CG 4.24Å; F94-F131 HydrophobicContact CB-CZ 4.19Å; F94-F131 HydrophobicContact CD2-CB 4.3Å; F94-F131 AromaticContact CD2-CD1 3.79Å; F94-F131 HydrophobicContact CD2-CD1 3.79Å; F94-F131 HydrophobicContact CD2-CD2 4.47Å; F94-F131 HydrophobicContact CD2-CE1 4.16Å; F94-F131 AromaticContact CD2-CG 3.97Å; F94-F131 HydrophobicContact CD2-CG 3.97Å; A97-F131 HydrophobicContact CB-CB 3.71Å; T127-F131 HydrophobicContact CG2-CD2 3.75Å; T127-F131 HydrophobicContact CG2-CE2 3.31Å; T127-F131 HydrophobicContact CG2-CZ 3.98Å; T127-F131 WeakPolarHBondContact O-CD2 3.36Å; T127-F131 PolarHBondContact O-N 2.74Å; F128-F131 PolarHBondContact O-N 3.4Å; F131-K133 PolarHBondContact O-N 3.17Å; F131-D134 PolarHBondContact O-N 2.94Å; F131-D134 VanDerWaalsContact O-N 3.17Å; F131-L135 WeakPolarHBondContact O-CB 3.3Å; F131-L135 VanDerWaalsContact O-CG 3.26Å; F131-L135 WeakPolarHBondContact O-CG 3.46Å; F131-L135 PolarHBondContact O-N 3.24Å
132K93.7Very high90.7Very high3 Ų351.6 Ų51.61%0.01327%0.27CS..Hα-helixtrans-61.6-32.8173.5-70.1178.768.463.90113.1A97 S100 Q101 F128 I129 Q130 K136 M143 L148A97-K132 HydrophobicContact CB-CG 3.82Å; S100-K132 PolarHBondContact OG-NZ 2.87Å; Q101-K132 PolarHBondContact NE2-O 3.29Å; Q101-K132 PolarHBondContact OE1-O 3.46Å; F128-K132 HydrophobicContact CD1-CD 4.1Å; F128-K132 HydrophobicContact CD2-CD 4.37Å; F128-K132 HydrophobicContact CE1-CD 3.58Å; F128-K132 HydrophobicContact CE2-CD 3.88Å; F128-K132 HydrophobicContact CE2-CG 4.26Å; F128-K132 HydrophobicContact CG-CD 4.49Å; F128-K132 HydrophobicContact CZ-CD 3.49Å; F128-K132 VanDerWaalsContact CZ-CD 3.49Å; F128-K132 HydrophobicContact CZ-CG 4.35Å; F128-K132 WeakPolarHBondContact O-CG 3.22Å; F128-K132 PolarHBondContact O-N 3.33Å; I129-K132 PolarHBondContact O-N 3.03Å; Q130-K132 VanDerWaalsContact C-N 3.33Å; Q130-K132 PolarHBondContact O-N 3.47Å; K132-K136 PolarHBondContact O-N 3.33Å; K132-M143 HydrophobicContact CB-CG 4.1Å; K132-M143 HydrophobicContact CB-SD 3.69Å; K132-L148 HydrophobicContact CD-CD1 4.28Å
133K92.6Very high90.1Very high111 Ų11152.4 Ų52.448%0.48328%0.275SS..Hα-helixtrans-68.9-44175-179.3-172169.8-170.10110.2I129 Q130 F131 L135 K136 M143 W177I129-K133 PolarHBondContact O-N 3.09Å; Q130-K133 WeakPolarHBondContact O-CA 3.46Å; Q130-K133 VanDerWaalsContact O-CB 3.29Å; Q130-K133 WeakPolarHBondContact O-CB 3.3Å; Q130-K133 PolarHBondContact O-N 3.04Å; F131-K133 PolarHBondContact O-N 3.17Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-K136 WeakPolarHBondContact O-CB 2.92Å; K133-K136 PolarHBondContact O-N 3.29Å; K133-M143 HydrophobicContact CB-CE 4.23Å; K133-M143 HydrophobicContact CB-SD 3.97Å; K133-M143 PolarHBondContact N-SD 3.31Å; K133-W177 HydrophobicContact CB-CZ2 4.36Å; K133-W177 HydrophobicContact CD-CZ2 3.94Å
134D90Very high89.9Confident91 Ų9154.2 Ų54.249%0.48728%0.278SS..Hα-helixtrans-67.6-35.4-178.7-61.9-27.3000111.9Q130 F131 K136Q130-D134 PolarHBondContact NE2-OD1 2.87Å; Q130-D134 PolarHBondContact NE2-OD2 2.81Å; Q130-D134 VanDerWaalsContact O-CG 3.3Å; Q130-D134 PolarHBondContact O-N 3Å; F131-D134 PolarHBondContact O-N 2.94Å; F131-D134 VanDerWaalsContact O-N 3.17Å; D134-K136 VanDerWaalsContact C-N 3.27Å; D134-K136 PolarHBondContact O-N 3.45Å
135L88.9Confident89.7Confident17 Ų1754.7 Ų54.79%0.08929%0.29CS..Hα-helixtrans-75.9-9176.2-70.1169.7000114.3F94 A97 I98 F131 K133 E137 S138 M139F94-L135 HydrophobicContact CE2-CD1 4.35Å; F94-L135 HydrophobicContact CE2-CD2 3.98Å; F94-L135 HydrophobicContact CE2-CG 4.33Å; F94-L135 HydrophobicContact CZ-CD2 4.25Å; A97-L135 HydrophobicContact CB-CD1 3.86Å; I98-L135 HydrophobicContact CG1-CD1 3.6Å; I98-L135 HydrophobicContact CG1-CD2 4.16Å; F131-L135 WeakPolarHBondContact O-CB 3.3Å; F131-L135 VanDerWaalsContact O-CG 3.26Å; F131-L135 WeakPolarHBondContact O-CG 3.46Å; F131-L135 PolarHBondContact O-N 3.24Å; K133-L135 VanDerWaalsContact C-N 3.34Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-E137 PolarHBondContact O-N 2.82Å; L135-S138 PolarHBondContact O-OG 2.97Å; L135-M139 HydrophobicContact CB-CG 4.32Å; L135-M139 HydrophobicContact CB-SD 4.09Å; L135-M139 HydrophobicContact CD1-SD 4.35Å; L135-M139 HydrophobicContact CD2-SD 4.37Å; L135-M139 VanDerWaalsContact O-CB 3.31Å; L135-M139 WeakPolarHBondContact O-CB 3.41Å; L135-M139 WeakPolarHBondContact O-CG 3.3Å; L135-M139 PolarHBondContact O-N 2.99Å
136K87.7Confident89.5Confident111 Ų11164.5 Ų64.548%0.48333%0.327SS..Hα-helixtrans-58.9-44.3-174.6-171.6-160.9171.2-165.70112.2K132 K133 D134 K140 C141K132-K136 PolarHBondContact O-N 3.33Å; K133-K136 WeakPolarHBondContact O-CB 2.92Å; K133-K136 PolarHBondContact O-N 3.29Å; D134-K136 VanDerWaalsContact C-N 3.27Å; D134-K136 PolarHBondContact O-N 3.45Å; K136-K140 PolarHBondContact O-N 2.88Å; K136-C141 WeakPolarHBondContact CG-O 3.39Å; K136-C141 PolarHBondContact O-N 2.89Å
137E83.8Confident89.3Confident172 Ų17266.6 Ų66.680%0.80434%0.344SS*.Hα-helixtrans-75.9-47.1-176.6-67.4-180-17700111.4L135 K140L135-E137 VanDerWaalsContact C-N 3.34Å; L135-E137 PolarHBondContact O-N 2.82Å; E137-K140 PolarHBondContact O-N 3.05Å
138S81.4Confident89.3Confident86 Ų8666.6 Ų66.660%0.60134%0.344SS*.Hα-helixtrans-65.4-44.1-179.156.60000112.5L135 K140L135-S138 PolarHBondContact O-OG 2.97Å; S138-K140 VanDerWaalsContact C-N 3.26Å; S138-K140 PolarHBondContact O-N 3.38Å
139M83.1Confident89.2Confident56 Ų5670.6 Ų70.628%0.27636%0.359SS..THydrogen-bonded Turntrans-84.12.3178-58.4-172.476.200113.3I98 Q101 L135 C141I98-M139 HydrophobicContact CG2-CE 4.46Å; Q101-M139 HydrophobicContact CB-CE 3.94Å; Q101-M139 HydrophobicContact CB-SD 3.67Å; L135-M139 HydrophobicContact CB-CG 4.32Å; L135-M139 HydrophobicContact CB-SD 4.09Å; L135-M139 HydrophobicContact CD1-SD 4.35Å; L135-M139 HydrophobicContact CD2-SD 4.37Å; L135-M139 VanDerWaalsContact O-CB 3.31Å; L135-M139 WeakPolarHBondContact O-CB 3.41Å; L135-M139 WeakPolarHBondContact O-CG 3.3Å; L135-M139 PolarHBondContact O-N 2.99Å; M139-C141 PolarHBondContact O-N 3.36Å
140K83.9Confident89.2Confident197 Ų19777 Ų7786%0.85739%0.387SS*.THydrogen-bonded Turntrans46.438.9-179.8-60179.1-178.41750113.4K136 E137 S138K136-K140 PolarHBondContact O-N 2.88Å; E137-K140 PolarHBondContact O-N 3.05Å; S138-K140 VanDerWaalsContact C-N 3.26Å; S138-K140 PolarHBondContact O-N 3.38Å
141C83.1Confident89.2Confident33 Ų3375.8 Ų75.822%0.22338%0.383CS..  trans-127.2150-173.7760000112.3K136 M139K136-C141 WeakPolarHBondContact CG-O 3.39Å; K136-C141 PolarHBondContact O-N 2.89Å; M139-C141 PolarHBondContact O-N 3.36Å
142G82Confident89.3Confident65 Ų6573.7 Ų73.767%0.6737%0.374SS*.  trans-73.5149.2173.100000112.3
143M84.3Confident89.4Confident19 Ų1974.3 Ų74.39%0.09438%0.379CS..SBendtrans-89.9-47.4177.7-178.1167.976.800113.1I129 K132 K133 G145 L148 W177I129-M143 HydrophobicContact CG2-CE 4.26Å; I129-M143 HydrophobicContact CG2-SD 4.34Å; K132-M143 HydrophobicContact CB-CG 4.1Å; K132-M143 HydrophobicContact CB-SD 3.69Å; K133-M143 HydrophobicContact CB-CE 4.23Å; K133-M143 HydrophobicContact CB-SD 3.97Å; K133-M143 PolarHBondContact N-SD 3.31Å; M143-G145 PolarHBondContact O-N 3.18Å; M143-L148 HydrophobicContact CG-CD2 3.58Å; M143-L148 WeakPolarHBondContact O-CD2 3.22Å; M143-W177 HydrophobicContact CE-CH2 3.81Å; M143-W177 HydrophobicContact CE-CZ2 4.06Å
144W88.8Confident89.5Confident67 Ų6771.8 Ų71.825%0.25437%0.371SS..  trans-88.760.6-168.7-72.9105.8000114.2L148 R149 I152 W177 L182 L185W144-L148 HydrophobicContact CD2-CD2 4.09Å; W144-L148 HydrophobicContact CE3-CD2 3.96Å; W144-L148 HydrophobicContact CE3-CG 4.29Å; W144-L148 HydrophobicContact CH2-CD2 4.45Å; W144-L148 HydrophobicContact CZ3-CD2 4.17Å; W144-L148 HydrophobicContact CZ3-CG 4.27Å; W144-R149 HydrophobicContact CE3-CG 3.98Å; W144-R149 HydrophobicContact CZ3-CG 4.4Å; W144-R149 PolarHBondContact O-NH1 3.26Å; W144-I152 HydrophobicContact CH2-CD1 3.4Å; W144-I152 VanDerWaalsContact CH2-CD1 3.4Å; W144-I152 HydrophobicContact CZ3-CD1 3.48Å; W144-I152 VanDerWaalsContact CZ3-CD1 3.48Å; W144-W177 HydrophobicContact CZ2-CH2 4.45Å; W144-W177 HydrophobicContact CZ2-CZ3 4.29Å; W144-L182 HydrophobicContact CH2-CD2 4.27Å; W144-L185 HydrophobicContact CD2-CB 3.96Å; W144-L185 HydrophobicContact CE3-CB 3.84Å; W144-L185 HydrophobicContact CH2-CB 3.25Å; W144-L185 HydrophobicContact CH2-CD1 4.03Å; W144-L185 HydrophobicContact CH2-CG 4.26Å; W144-L185 HydrophobicContact CZ2-CB 3.38Å; W144-L185 HydrophobicContact CZ2-CD1 3.31Å; W144-L185 HydrophobicContact CZ2-CG 3.92Å; W144-L185 HydrophobicContact CZ3-CB 3.47Å; W144-L185 VanDerWaalsContact CZ3-CB 3.47Å
145G90.1Very high89.8Confident36 Ų3667.6 Ų67.637%0.37135%0.349SS..  trans-79.6171.9169.900000113.5M143 A147 L148 R149M143-G145 PolarHBondContact O-N 3.18Å; G145-A147 PolarHBondContact O-N 3.32Å; G145-L148 PolarHBondContact O-N 3.41Å; G145-R149 PolarHBondContact O-N 3.17Å
146R92Very high90.1Very high207 Ų20766.8 Ų66.878%0.78134%0.344SS*.Hα-helixtrans-55.9-39.1175-173.9-177.2-67.4-177.5-0.2112R149 K150R146-R149 PolarHBondContact O-N 3.39Å; R146-K150 WeakPolarHBondContact O-CB 3.44Å; R146-K150 PolarHBondContact O-N 3.14Å
147A93.1Very high90.4Very high44 Ų4463.5 Ų63.536%0.36433%0.332SS..Hα-helixtrans-62.6-46.2-179.700000112.7F112 G145 K150 A151F112-A147 HydrophobicContact CD2-CB 3.64Å; F112-A147 HydrophobicContact CE2-CB 3.5Å; F112-A147 HydrophobicContact CG-CB 4.33Å; F112-A147 HydrophobicContact CZ-CB 4.1Å; G145-A147 PolarHBondContact O-N 3.32Å; A147-K150 PolarHBondContact O-N 2.88Å; A147-A151 WeakPolarHBondContact O-CB 3.5Å; A147-A151 PolarHBondContact O-N 2.96Å
148L95.1Very high90.8Very high1 Ų161.2 Ų61.21%0.00532%0.322CS..Hα-helixtrans-66-43.9177.8179.860.8000111.8F112 F128 I129 K132 M143 W144 G145 K150 A151 I152F112-L148 HydrophobicContact CE1-CB 4.02Å; F112-L148 HydrophobicContact CE1-CD1 3.89Å; F112-L148 HydrophobicContact CZ-CB 4.22Å; F128-L148 HydrophobicContact CE1-CD1 4.23Å; I129-L148 HydrophobicContact CD1-CD1 3.7Å; I129-L148 HydrophobicContact CD1-CD2 4.31Å; I129-L148 HydrophobicContact CD1-CG 4.47Å; K132-L148 HydrophobicContact CD-CD1 4.28Å; M143-L148 HydrophobicContact CG-CD2 3.58Å; M143-L148 WeakPolarHBondContact O-CD2 3.22Å; W144-L148 HydrophobicContact CD2-CD2 4.09Å; W144-L148 HydrophobicContact CE3-CD2 3.96Å; W144-L148 HydrophobicContact CE3-CG 4.29Å; W144-L148 HydrophobicContact CH2-CD2 4.45Å; W144-L148 HydrophobicContact CZ3-CD2 4.17Å; W144-L148 HydrophobicContact CZ3-CG 4.27Å; G145-L148 PolarHBondContact O-N 3.41Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 2.69Å; L148-A151 PolarHBondContact O-N 3.22Å; L148-I152 HydrophobicContact CD1-CD1 3.76Å; L148-I152 HydrophobicContact CD1-CG1 3.98Å; L148-I152 HydrophobicContact CD2-CD1 4.42Å; L148-I152 HydrophobicContact CG-CD1 3.79Å; L148-I152 HydrophobicContact CG-CG1 4.4Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.46Å
149R95.3Very high91.2Very high86 Ų8659.6 Ų59.633%0.32530%0.304SS..Hα-helixtrans-57.9-44.2177-69.9-163.6-62.9-86.54.9111.4W144 G145 R146 A153 L185W144-R149 HydrophobicContact CE3-CG 3.98Å; W144-R149 HydrophobicContact CZ3-CG 4.4Å; W144-R149 PolarHBondContact O-NH1 3.26Å; G145-R149 PolarHBondContact O-N 3.17Å; R146-R149 PolarHBondContact O-N 3.39Å; R149-A153 VanDerWaalsContact O-CB 3.31Å; R149-A153 WeakPolarHBondContact O-CB 3.42Å; R149-A153 PolarHBondContact O-N 2.67Å; R149-L185 WeakPolarHBondContact CD-O 3.49Å; R149-L185 WeakPolarHBondContact CG-O 3.35Å
150K95.3Very high91.4Very high134 Ų13459 Ų5958%0.58331%0.313SS*.Hα-helixtrans-62.4-52.3175.9178.7169.7179.3172.90111.7R146 A147 L148 I152 A153 D154R146-K150 WeakPolarHBondContact O-CB 3.44Å; R146-K150 PolarHBondContact O-N 3.14Å; A147-K150 PolarHBondContact O-N 2.88Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 2.69Å; K150-I152 VanDerWaalsContact C-N 3.3Å; K150-I152 PolarHBondContact O-N 3.34Å; K150-A153 PolarHBondContact O-N 2.82Å; K150-D154 VanDerWaalsContact CE-OD2 3.22Å; K150-D154 WeakPolarHBondContact CE-OD2 3.43Å; K150-D154 WeakPolarHBondContact CG-OD2 3.36Å; K150-D154 WeakPolarHBondContact O-CB 3.39Å; K150-D154 PolarHBondContact O-N 2.82Å
151A95.7Very high91.8Very high11 Ų1150.3 Ų50.39%0.09128%0.278CS..Hα-helixtrans-58.4-39.9-178.900000112.9F112 A147 L148 W155F112-A151 HydrophobicContact CB-CB 4.25Å; F112-A151 HydrophobicContact CD1-CB 3.68Å; F112-A151 HydrophobicContact CG-CB 4.33Å; A147-A151 WeakPolarHBondContact O-CB 3.5Å; A147-A151 PolarHBondContact O-N 2.96Å; L148-A151 PolarHBondContact O-N 3.22Å; A151-W155 WeakPolarHBondContact O-CB 3.49Å; A151-W155 PolarHBondContact O-N 3.23Å
152I96.1Very high92.3Very high1 Ų152.5 Ų52.51%0.00529%0.286CS..Hα-helixtrans-68.7-42.7175.2-64.8169000110.7I129 W144 L148 K150 W155 Y156 L182I129-I152 HydrophobicContact CD1-CD1 3.68Å; I129-I152 HydrophobicContact CD1-CG1 4.22Å; I129-I152 HydrophobicContact CG1-CD1 4.47Å; W144-I152 HydrophobicContact CH2-CD1 3.4Å; W144-I152 VanDerWaalsContact CH2-CD1 3.4Å; W144-I152 HydrophobicContact CZ3-CD1 3.48Å; W144-I152 VanDerWaalsContact CZ3-CD1 3.48Å; L148-I152 HydrophobicContact CD1-CD1 3.76Å; L148-I152 HydrophobicContact CD1-CG1 3.98Å; L148-I152 HydrophobicContact CD2-CD1 4.42Å; L148-I152 HydrophobicContact CG-CD1 3.79Å; L148-I152 HydrophobicContact CG-CG1 4.4Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.46Å; K150-I152 VanDerWaalsContact C-N 3.3Å; K150-I152 PolarHBondContact O-N 3.34Å; I152-W155 WeakPolarHBondContact O-CB 3.3Å; I152-W155 PolarHBondContact O-N 2.97Å; I152-Y156 HydrophobicContact CG2-CD2 4.05Å; I152-Y156 HydrophobicContact CG2-CE2 3.75Å; I152-Y156 WeakPolarHBondContact O-CD2 3.33Å; I152-Y156 PolarHBondContact O-N 3.49Å; I152-L182 HydrophobicContact CG2-CB 4.19Å
153A95.1Very high92.8Very high15 Ų1552 Ų5212%0.12428%0.276CS..Hα-helixtrans-62-44.9178.600000111.6R149 K150 W155 Y156 N157 L188R149-A153 VanDerWaalsContact O-CB 3.31Å; R149-A153 WeakPolarHBondContact O-CB 3.42Å; R149-A153 PolarHBondContact O-N 2.67Å; K150-A153 PolarHBondContact O-N 2.82Å; A153-W155 VanDerWaalsContact C-N 3.33Å; A153-W155 PolarHBondContact O-N 3.34Å; A153-Y156 PolarHBondContact O-N 3.23Å; A153-N157 WeakPolarHBondContact O-CB 3.4Å; A153-N157 PolarHBondContact O-N 3.35Å; A153-L188 HydrophobicContact CB-CD1 3.8Å; A153-L188 WeakPolarHBondContact O-CD1 3.37Å
154D94.7Very high93.2Very high59 Ų5951.1 Ų51.132%0.31627%0.272SS..Hα-helixtrans-61.2-42.8177.1-64.9-13.9000110.2K150 Y156 N157 E158K150-D154 VanDerWaalsContact CE-OD2 3.22Å; K150-D154 WeakPolarHBondContact CE-OD2 3.43Å; K150-D154 WeakPolarHBondContact CG-OD2 3.36Å; K150-D154 WeakPolarHBondContact O-CB 3.39Å; K150-D154 PolarHBondContact O-N 2.82Å; D154-Y156 VanDerWaalsContact C-N 3.28Å; D154-Y156 PolarHBondContact O-N 3.11Å; D154-N157 PolarHBondContact O-N 2.94Å; D154-N157 VanDerWaalsContact O-N 3.1Å; D154-E158 WeakPolarHBondContact O-CB 3.41Å; D154-E158 VanDerWaalsContact O-CG 3.27Å; D154-E158 WeakPolarHBondContact O-CG 3.46Å; D154-E158 PolarHBondContact O-N 3.39Å
155W95.8Very high93.5Very high2 Ų248 Ų481%0.00826%0.26CS..Hα-helixtrans-55.5-38.6176.1-17295.1000114.3C119 P122 L125 A151 I152 A153 K159 L164C119-W155 PolarHBondContact O-NE1 3.24Å; P122-W155 HydrophobicContact CG-CH2 4.05Å; L125-W155 HydrophobicContact CB-CZ2 4.45Å; L125-W155 HydrophobicContact CD2-CD2 3.72Å; L125-W155 HydrophobicContact CD2-CE3 3.73Å; L125-W155 HydrophobicContact CD2-CG 4.22Å; L125-W155 HydrophobicContact CD2-CH2 4.32Å; L125-W155 HydrophobicContact CD2-CZ2 4.32Å; L125-W155 HydrophobicContact CD2-CZ3 4.05Å; A151-W155 WeakPolarHBondContact O-CB 3.49Å; A151-W155 PolarHBondContact O-N 3.23Å; I152-W155 WeakPolarHBondContact O-CB 3.3Å; I152-W155 PolarHBondContact O-N 2.97Å; A153-W155 VanDerWaalsContact C-N 3.33Å; A153-W155 PolarHBondContact O-N 3.34Å; W155-K159 HydrophobicContact CE3-CD 4.38Å; W155-K159 HydrophobicContact CH2-CD 4.11Å; W155-K159 HydrophobicContact CZ2-CD 4.43Å; W155-K159 HydrophobicContact CZ3-CD 4.07Å; W155-K159 WeakPolarHBondContact O-CG 3.01Å; W155-L164 HydrophobicContact CZ3-CD1 4.23Å
156Y95.4Very high93.6Very high0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-77.1-42.8175.1-75.9-77.6000111.7L125 I152 A153 D154 E158 K159 L164 H179 L182 L183 L188 L195L125-Y156 HydrophobicContact CD2-CE2 4.47Å; I152-Y156 HydrophobicContact CG2-CD2 4.05Å; I152-Y156 HydrophobicContact CG2-CE2 3.75Å; I152-Y156 WeakPolarHBondContact O-CD2 3.33Å; I152-Y156 PolarHBondContact O-N 3.49Å; A153-Y156 PolarHBondContact O-N 3.23Å; D154-Y156 VanDerWaalsContact C-N 3.28Å; D154-Y156 PolarHBondContact O-N 3.11Å; Y156-E158 VanDerWaalsContact C-N 3.35Å; Y156-E158 PolarHBondContact O-N 2.92Å; Y156-K159 PolarHBondContact O-N 3.04Å; Y156-L164 HydrophobicContact CD1-CD1 3.56Å; Y156-L164 HydrophobicContact CD1-CD2 3.88Å; Y156-L164 HydrophobicContact CD1-CG 4.38Å; Y156-L164 HydrophobicContact CE1-CD1 3.89Å; Y156-H179 AromaticContact CE1-ND1 3.62Å; Y156-H179 AromaticContact CZ-ND1 3.65Å; Y156-H179 PolarHBondContact OH-ND1 3.03Å; Y156-L182 HydrophobicContact CE2-CB 4.27Å; Y156-L183 HydrophobicContact CD2-CD2 4.21Å; Y156-L183 HydrophobicContact CE1-CD2 4.46Å; Y156-L183 HydrophobicContact CE2-CD2 4.19Å; Y156-L183 HydrophobicContact CG-CD2 4.4Å; Y156-L188 HydrophobicContact CD2-CD2 4.34Å; Y156-L188 HydrophobicContact CG-CD2 4.07Å; Y156-L195 WeakPolarHBondContact O-CD2 3.49Å
157N94.4Very high93.7Very high42 Ų4240.8 Ų40.823%0.22523%0.23CC..Hα-helixtrans-71.7-25.9-175.1-81.5-24.8000114A153 D154 K159 L188 K189 S191A153-N157 WeakPolarHBondContact O-CB 3.4Å; A153-N157 PolarHBondContact O-N 3.35Å; D154-N157 PolarHBondContact O-N 2.94Å; D154-N157 VanDerWaalsContact O-N 3.1Å; N157-K159 PolarHBondContact O-N 2.98Å; N157-L188 WeakPolarHBondContact ND2-CD1 3.46Å; N157-K189 PolarHBondContact ND2-O 3.46Å; N157-K189 VanDerWaalsContact ND2-O 3.08Å; N157-K189 PolarHBondContact OD1-O 3.07Å; N157-S191 PolarHBondContact OD1-N 3.31Å; N157-S191 PolarHBondContact OD1-OG 3.31Å
158E92.4Very high93.8Very high125 Ų12538.9 Ų38.958%0.58421%0.214SC*.THydrogen-bonded Turntrans-72.9-15.3173.6-74173.6-174.200112.6S116 D154 Y156S116-E158 WeakPolarHBondContact CB-OE2 3.14Å; S116-E158 PolarHBondContact OG-OE2 3.32Å; D154-E158 WeakPolarHBondContact O-CB 3.41Å; D154-E158 VanDerWaalsContact O-CG 3.27Å; D154-E158 WeakPolarHBondContact O-CG 3.46Å; D154-E158 PolarHBondContact O-N 3.39Å; Y156-E158 VanDerWaalsContact C-N 3.35Å; Y156-E158 PolarHBondContact O-N 2.92Å
159K89.1Confident93.7Very high51 Ų5139 Ų3922%0.22222%0.215CC..SBendtrans-90.6139.8178.8-64.6-174.8-171.1-60.30111R120 W155 Y156 N157 L164 L195R120-K159 PolarHBondContact O-NZ 2.91Å; W155-K159 HydrophobicContact CE3-CD 4.38Å; W155-K159 HydrophobicContact CH2-CD 4.11Å; W155-K159 HydrophobicContact CZ2-CD 4.43Å; W155-K159 HydrophobicContact CZ3-CD 4.07Å; W155-K159 WeakPolarHBondContact O-CG 3.01Å; Y156-K159 PolarHBondContact O-N 3.04Å; N157-K159 PolarHBondContact O-N 2.98Å; K159-L164 HydrophobicContact CB-CB 4.28Å; K159-L164 HydrophobicContact CD-CD1 4.2Å; K159-L195 WeakPolarHBondContact O-CD2 3.45Å
160G88.7Confident93.6Very high45 Ų4537.4 Ų37.446%0.46421%0.21SC..  trans-67.1152.7168.500000112M162 A163 L164G160-M162 PolarHBondContact O-N 3.27Å; G160-A163 PolarHBondContact O-N 2.99Å; G160-A163 VanDerWaalsContact O-N 3.14Å; G160-L164 PolarHBondContact O-N 3.39Å
161G91Very high93.5Very high13 Ų1332.8 Ų32.813%0.13419%0.19CC..Hα-helixtrans-52.7-47.5-176.800000113.7L164 A165G161-L164 PolarHBondContact O-N 2.99Å; G161-A165 WeakPolarHBondContact O-CB 3.39Å; G161-A165 PolarHBondContact O-N 3.23Å
162M93.3Very high93.2Very high79 Ų7937.1 Ų37.139%0.38921%0.206SC..Hα-helixtrans-66.6-42.1178-172.662.4-179.500112.9G160 L164 A165 L166 L225 Y228G160-M162 PolarHBondContact O-N 3.27Å; M162-L164 VanDerWaalsContact C-N 3.3Å; M162-L164 PolarHBondContact O-N 3.38Å; M162-A165 WeakPolarHBondContact O-CB 3.35Å; M162-A165 PolarHBondContact O-N 2.66Å; M162-L166 HydrophobicContact CE-CD1 4.45Å; M162-L166 HydrophobicContact CE-CG 4.38Å; M162-L166 HydrophobicContact CG-CD1 4.38Å; M162-L166 WeakPolarHBondContact O-CG 3.42Å; M162-L166 PolarHBondContact O-N 3.38Å; M162-L225 HydrophobicContact SD-CD1 4.4Å; M162-Y228 HydrophobicContact CE-CD1 4.22Å; M162-Y228 HydrophobicContact CE-CD2 3.74Å; M162-Y228 HydrophobicContact CE-CE2 4.43Å; M162-Y228 HydrophobicContact CE-CG 3.63Å; M162-Y228 HydrophobicContact SD-CD1 4.35Å; M162-Y228 HydrophobicContact SD-CG 4.19Å
163A92.3Very high93Very high56 Ų5643.3 Ų43.346%0.46324%0.235SC..Hα-helixtrans-63.4-39.3177.900000111.4G160 A167G160-A163 PolarHBondContact O-N 2.99Å; G160-A163 VanDerWaalsContact O-N 3.14Å; A163-A167 PolarHBondContact O-N 3.3Å
164L94.1Very high92.9Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-67.6-42.3174.6-175.263.2000111.4W155 Y156 K159 G160 G161 M162 L166 A167 V168 L195 V198W155-L164 HydrophobicContact CZ3-CD1 4.23Å; Y156-L164 HydrophobicContact CD1-CD1 3.56Å; Y156-L164 HydrophobicContact CD1-CD2 3.88Å; Y156-L164 HydrophobicContact CD1-CG 4.38Å; Y156-L164 HydrophobicContact CE1-CD1 3.89Å; K159-L164 HydrophobicContact CB-CB 4.28Å; K159-L164 HydrophobicContact CD-CD1 4.2Å; G160-L164 PolarHBondContact O-N 3.39Å; G161-L164 PolarHBondContact O-N 2.99Å; M162-L164 VanDerWaalsContact C-N 3.3Å; M162-L164 PolarHBondContact O-N 3.38Å; L164-L166 PolarHBondContact O-N 2.88Å; L164-A167 PolarHBondContact O-N 2.89Å; L164-A167 VanDerWaalsContact O-N 3.13Å; L164-V168 HydrophobicContact CD1-CG1 3.64Å; L164-V168 HydrophobicContact CG-CG1 3.9Å; L164-V168 VanDerWaalsContact O-CG1 3.25Å; L164-V168 WeakPolarHBondContact O-CG1 3.48Å; L164-V168 WeakPolarHBondContact O-CG2 2.99Å; L164-V168 PolarHBondContact O-N 3.24Å; L164-L195 HydrophobicContact CB-CD2 4.24Å; L164-L195 HydrophobicContact CD2-CD2 3.39Å; L164-L195 HydrophobicContact CG-CD2 4.44Å; L164-V198 HydrophobicContact CB-CG1 4.47Å; L164-V198 HydrophobicContact CD2-CB 4.16Å; L164-V198 HydrophobicContact CD2-CG1 3.76Å; L164-V198 HydrophobicContact CG-CG1 3.81Å
165A94.8Very high92.6Very high0 Ų047.6 Ų47.60%025%0.25CC..Hα-helixtrans-56.4-49.9176.800000111.9G161 M162 A167 V168 T169 V198 L225 Y228 L229G161-A165 WeakPolarHBondContact O-CB 3.39Å; G161-A165 PolarHBondContact O-N 3.23Å; M162-A165 WeakPolarHBondContact O-CB 3.35Å; M162-A165 PolarHBondContact O-N 2.66Å; A165-A167 VanDerWaalsContact C-N 3.28Å; A165-A167 PolarHBondContact O-N 2.9Å; A165-V168 WeakPolarHBondContact O-CG2 3.42Å; A165-V168 PolarHBondContact O-N 2.83Å; A165-T169 WeakPolarHBondContact O-CB 3.42Å; A165-T169 VanDerWaalsContact O-CG2 3.29Å; A165-T169 WeakPolarHBondContact O-CG2 3.2Å; A165-T169 PolarHBondContact O-N 3.31Å; A165-T169 PolarHBondContact O-OG1 3.47Å; A165-V198 HydrophobicContact CB-CG2 3.96Å; A165-L225 HydrophobicContact CB-CD1 3.36Å; A165-Y228 HydrophobicContact CB-CD1 4.07Å; A165-Y228 HydrophobicContact CB-CE1 4.11Å; A165-L229 HydrophobicContact CB-CD2 4.18Å
166L93Very high92.4Very high74 Ų7451.2 Ų51.239%0.38729%0.288SS..Hα-helixtrans-55-44174.7-73.2161.9000111.9M162 L164 T169 K170 Y228M162-L166 HydrophobicContact CE-CD1 4.45Å; M162-L166 HydrophobicContact CE-CG 4.38Å; M162-L166 HydrophobicContact CG-CD1 4.38Å; M162-L166 WeakPolarHBondContact O-CG 3.42Å; M162-L166 PolarHBondContact O-N 3.38Å; L164-L166 PolarHBondContact O-N 2.88Å; L166-T169 PolarHBondContact O-OG1 3.45Å; L166-K170 WeakPolarHBondContact O-CB 3.14Å; L166-K170 PolarHBondContact O-N 3.12Å; L166-Y228 HydrophobicContact CD2-CE1 4.34Å; L166-Y228 HydrophobicContact CD2-CE2 3.66Å; L166-Y228 WeakPolarHBondContact CD2-OH 3.46Å
167A92.9Very high92.4Very high18 Ų1852.4 Ų52.415%0.14929%0.292CS..Hα-helixtrans-67.2-46.9-179.200000112.3P122 A163 L164 A165 K170 Y171P122-A167 HydrophobicContact CG-CB 3.82Å; A163-A167 PolarHBondContact O-N 3.3Å; L164-A167 PolarHBondContact O-N 2.89Å; L164-A167 VanDerWaalsContact O-N 3.13Å; A165-A167 VanDerWaalsContact C-N 3.28Å; A165-A167 PolarHBondContact O-N 2.9Å; A167-K170 PolarHBondContact O-N 3.49Å; A167-Y171 WeakPolarHBondContact O-CD2 3.35Å; A167-Y171 PolarHBondContact O-N 2.88Å
168V94.7Very high92.5Very high5 Ų551.4 Ų51.43%0.0329%0.288CS..Hα-helixtrans-75.8-29.2-173.1-55.30000112.3L164 A165 K172 V198 I202L164-V168 HydrophobicContact CD1-CG1 3.64Å; L164-V168 HydrophobicContact CG-CG1 3.9Å; L164-V168 VanDerWaalsContact O-CG1 3.25Å; L164-V168 WeakPolarHBondContact O-CG1 3.48Å; L164-V168 WeakPolarHBondContact O-CG2 2.99Å; L164-V168 PolarHBondContact O-N 3.24Å; A165-V168 WeakPolarHBondContact O-CG2 3.42Å; A165-V168 PolarHBondContact O-N 2.83Å; V168-K172 WeakPolarHBondContact O-CA 3.4Å; V168-K172 PolarHBondContact O-N 3.13Å; V168-V198 HydrophobicContact CG1-CG1 4.4Å; V168-V198 HydrophobicContact CG2-CG1 3.77Å; V168-I202 HydrophobicContact CB-CD1 4.08Å; V168-I202 HydrophobicContact CB-CG1 4.39Å; V168-I202 HydrophobicContact CG1-CD1 3.79Å; V168-I202 HydrophobicContact CG2-CD1 4.17Å; V168-I202 HydrophobicContact CG2-CG1 4.29Å
169T93.9Very high92.7Very high2 Ų245.6 Ų45.61%0.01226%0.261CS..Hα-helixtrans-75.3-3717559.10000111.5A165 L166 Y201 Y228 L229 V232 H257A165-T169 WeakPolarHBondContact O-CB 3.42Å; A165-T169 VanDerWaalsContact O-CG2 3.29Å; A165-T169 WeakPolarHBondContact O-CG2 3.2Å; A165-T169 PolarHBondContact O-N 3.31Å; A165-T169 PolarHBondContact O-OG1 3.47Å; L166-T169 PolarHBondContact O-OG1 3.45Å; T169-Y201 HydrophobicContact CG2-CE1 4.29Å; T169-Y228 HydrophobicContact CG2-CE1 4.18Å; T169-Y228 PolarHBondContact OG1-OH 3.21Å; T169-L229 HydrophobicContact CG2-CD2 4.01Å; T169-V232 HydrophobicContact CG2-CB 4.37Å; T169-V232 HydrophobicContact CG2-CG1 3.79Å; T169-V232 HydrophobicContact CG2-CG2 4.21Å; T169-H257 PolarHBondContact O-CD2 3.4Å; T169-H257 PolarHBondContact OG1-NE2 3.12Å
170K92.4Very high93Very high53 Ų5348.8 Ų48.823%0.2328%0.275CS..Hα-helixtrans-73.5-41.1177.8-174.6174.8-178.9-175.90112.5L166 A167 V254 E256 H257L166-K170 WeakPolarHBondContact O-CB 3.14Å; L166-K170 PolarHBondContact O-N 3.12Å; A167-K170 PolarHBondContact O-N 3.49Å; K170-V254 HydrophobicContact CD-CG2 3.85Å; K170-V254 HydrophobicContact CG-CG2 3.92Å; K170-E256 WeakPolarHBondContact CE-OE2 3.2Å; K170-E256 HydrophobicContact CG-CB 3.89Å; K170-E256 HydrophobicContact CG-CG 4.08Å; K170-E256 WeakPolarHBondContact O-CB 3.18Å; K170-H257 PolarHBondContact N-NE2 2.74Å
171Y92.6Very high93.3Very high38 Ų3848.6 Ų48.615%0.14926%0.263CS..  trans-121.160.2-174.5-54.9-80.1000112P122 T123 A167 Q173 H179P122-Y171 HydrophobicContact CB-CD2 4.43Å; P122-Y171 HydrophobicContact CB-CG 4.28Å; P122-Y171 HydrophobicContact CG-CD2 3.92Å; P122-Y171 HydrophobicContact CG-CG 4.24Å; T123-Y171 WeakPolarHBondContact OG1-CD1 3.44Å; A167-Y171 WeakPolarHBondContact O-CD2 3.35Å; A167-Y171 PolarHBondContact O-N 2.88Å; Y171-Q173 VanDerWaalsContact C-N 3.27Å; Y171-Q173 PolarHBondContact O-N 3.47Å; Y171-Q173 VanDerWaalsContact O-N 3.17Å; Y171-H179 PolarHBondContact O-CD2 3.04Å; Y171-H179 PolarHBondContact O-NE2 3.36Å; Y171-H179 VanDerWaalsContact O-NE2 3.14Å
172K90.7Very high93.6Very high102 Ų10248 Ų4844%0.44326%0.257SS..SBendtrans-51-44-177.3-62.1-179.1-177.21740114.4V168V168-K172 WeakPolarHBondContact O-CA 3.4Å; V168-K172 PolarHBondContact O-N 3.13Å
173Q91.8Very high93.7Very high130 Ų13044.7 Ų44.761%0.60724%0.241SC*.EExtended strand (participates in β ladder)trans-153.5145.717866.6-176.316.500110.6Y171 W177Y171-Q173 VanDerWaalsContact C-N 3.27Å; Y171-Q173 PolarHBondContact O-N 3.47Å; Y171-Q173 VanDerWaalsContact O-N 3.17Å; Q173-W177 CarbonylContact C-O 3.58Å; Q173-W177 WeakPolarHBondContact CA-O 3.48Å; Q173-W177 VanDerWaalsContact CB-O 3.26Å; Q173-W177 WeakPolarHBondContact CB-O 3.18Å
174R91.9Very high93.8Very high84 Ų8449.8 Ų49.832%0.31725%0.248SC..EExtended strand (participates in β ladder)trans-148.7155.2169.9-64.5-66.6-176.6-89.6-0.9109.2T123 F126 G176 W177T123-R174 HydrophobicContact CG2-CB 4.47Å; T123-R174 HydrophobicContact CG2-CG 4.34Å; F126-R174 HydrophobicContact CB-CB 4.39Å; F126-R174 HydrophobicContact CD2-CB 3.88Å; F126-R174 HydrophobicContact CD2-CG 4.38Å; R174-G176 PolarHBondContact O-N 3.07Å; R174-W177 PolarHBondContact N-O 3.24Å; R174-W177 PolarHBondContact O-N 3.37Å
175N88.7Confident93.8Very high81 Ų8152 Ų5243%0.43326%0.26SS..THydrogen-bonded Turntrans50.136.1172.7-61.744.1000113.6T127 Q130 W177T127-N175 PolarHBondContact OG1-ND2 2.97Å; T127-N175 VanDerWaalsContact OG1-ND2 3.15Å; Q130-N175 HydrophobicContact CB-CB 4.47Å; N175-W177 VanDerWaalsContact C-N 3.33Å; N175-W177 VanDerWaalsContact O-CD1 3.28Å; N175-W177 PolarHBondContact O-N 2.94Å
176G91.2Very high93.7Very high78 Ų7852.3 Ų52.380%0.80426%0.262SS*.THydrogen-bonded Turntrans81.40.3179.800000116.1R174R174-G176 PolarHBondContact O-N 3.07Å
177W96.1Very high93.7Very high25 Ų2555.6 Ų55.610%0.09528%0.275CS..EExtended strand (participates in β ladder)trans-115.4143.4-179.6-65.689.8000112.4F126 I129 K133 M143 W144 Q173 R174 N175 D181 L182 L185F126-W177 HydrophobicContact CB-CB 4.07Å; F126-W177 HydrophobicContact CD1-CB 3.52Å; F126-W177 HydrophobicContact CE1-CB 4.22Å; F126-W177 HydrophobicContact CG-CB 3.98Å; I129-W177 HydrophobicContact CG2-CD2 3.85Å; I129-W177 HydrophobicContact CG2-CE3 4.08Å; I129-W177 HydrophobicContact CG2-CH2 3.79Å; I129-W177 HydrophobicContact CG2-CZ2 3.53Å; I129-W177 HydrophobicContact CG2-CZ3 4.06Å; K133-W177 HydrophobicContact CB-CZ2 4.36Å; K133-W177 HydrophobicContact CD-CZ2 3.94Å; M143-W177 HydrophobicContact CE-CH2 3.81Å; M143-W177 HydrophobicContact CE-CZ2 4.06Å; W144-W177 HydrophobicContact CZ2-CH2 4.45Å; W144-W177 HydrophobicContact CZ2-CZ3 4.29Å; Q173-W177 CarbonylContact C-O 3.58Å; Q173-W177 WeakPolarHBondContact CA-O 3.48Å; Q173-W177 VanDerWaalsContact CB-O 3.26Å; Q173-W177 WeakPolarHBondContact CB-O 3.18Å; R174-W177 PolarHBondContact N-O 3.24Å; R174-W177 PolarHBondContact O-N 3.37Å; N175-W177 VanDerWaalsContact C-N 3.33Å; N175-W177 VanDerWaalsContact O-CD1 3.28Å; N175-W177 PolarHBondContact O-N 2.94Å; W177-D181 HydrophobicContact CE3-CB 3.99Å; W177-D181 HydrophobicContact CZ3-CB 4.35Å; W177-L182 HydrophobicContact CE3-CD2 3.88Å; W177-L182 HydrophobicContact CZ3-CD2 4.35Å; W177-L185 HydrophobicContact CH2-CD1 4.36Å; W177-L185 HydrophobicContact CZ3-CD1 3.7Å
178S96.6Very high93.6Very high20 Ų2055.7 Ų55.714%0.1427%0.273CS..EExtended strand (participates in β ladder)trans-114.6161.1171.3750000111.7K180 D181 L182S178-K180 PolarHBondContact O-N 3.43Å; S178-K180 PolarHBondContact OG-N 2.62Å; S178-D181 WeakPolarHBondContact CB-OD2 3.41Å; S178-D181 PolarHBondContact N-OD2 3.29Å; S178-D181 PolarHBondContact O-N 3.31Å; S178-D181 VanDerWaalsContact OG-CG 3.31Å; S178-D181 PolarHBondContact OG-N 3.45Å; S178-D181 PolarHBondContact OG-OD2 3.3Å; S178-L182 PolarHBondContact O-N 3.28Å
179H96.5Very high93.6Very high4 Ų463.8 Ų63.82%0.01931%0.308CS..Hα-helixtrans-57.7-36170.8-72.9-69000111.9F126 Y156 Y171 D181 L182 L183 I202F126-H179 AromaticContact CE2-NE2 3.97Å; F126-H179 AromaticContact CZ-CD2 3.75Å; F126-H179 AromaticContact CZ-CE1 3.63Å; F126-H179 AromaticContact CZ-CG 3.76Å; F126-H179 AromaticContact CZ-ND1 3.68Å; F126-H179 AromaticContact CZ-NE2 3.68Å; Y156-H179 AromaticContact CE1-ND1 3.62Å; Y156-H179 AromaticContact CZ-ND1 3.65Å; Y156-H179 PolarHBondContact OH-ND1 3.03Å; Y171-H179 PolarHBondContact O-CD2 3.04Å; Y171-H179 PolarHBondContact O-NE2 3.36Å; Y171-H179 VanDerWaalsContact O-NE2 3.14Å; H179-D181 VanDerWaalsContact C-N 3.31Å; H179-D181 PolarHBondContact O-N 2.88Å; H179-L182 PolarHBondContact O-N 3.47Å; H179-L183 WeakPolarHBondContact O-CB 3.33Å; H179-L183 WeakPolarHBondContact O-CG 3.43Å; H179-L183 PolarHBondContact O-N 2.78Å; H179-I202 HydrophobicContact CB-CD1 4.09Å; H179-I202 HydrophobicContact CB-CG1 4.46Å; H179-I202 HydrophobicContact CB-CG2 3.79Å
180K95.9Very high93.5Very high118 Ų11866.2 Ų66.251%0.51332%0.323SS..Hα-helixtrans-61.2-39.2177.9-175.4173.8179.1172.80112S178 R184 I202S178-K180 PolarHBondContact O-N 3.43Å; S178-K180 PolarHBondContact OG-N 2.62Å; K180-R184 WeakPolarHBondContact O-CB 3.49Å; K180-R184 PolarHBondContact O-N 3.44Å; K180-I202 HydrophobicContact CB-CG2 3.99Å
181D95.8Very high93.6Very high40 Ų4067.6 Ų67.621%0.21434%0.34CS..Hα-helixtrans-65.5-48176.6-63.7-53.8000111.7W177 S178 H179 L183 R184 L185W177-D181 HydrophobicContact CE3-CB 3.99Å; W177-D181 HydrophobicContact CZ3-CB 4.35Å; S178-D181 WeakPolarHBondContact CB-OD2 3.41Å; S178-D181 PolarHBondContact N-OD2 3.29Å; S178-D181 PolarHBondContact O-N 3.31Å; S178-D181 VanDerWaalsContact OG-CG 3.31Å; S178-D181 PolarHBondContact OG-N 3.45Å; S178-D181 PolarHBondContact OG-OD2 3.3Å; H179-D181 VanDerWaalsContact C-N 3.31Å; H179-D181 PolarHBondContact O-N 2.88Å; D181-L183 PolarHBondContact O-N 3.32Å; D181-R184 PolarHBondContact O-N 3.31Å; D181-R184 IonicContact OD1-NH2 3.39Å; D181-R184 PolarHBondContact OD1-NH2 3.3Å; D181-L185 WeakPolarHBondContact O-CB 3.29Å; D181-L185 WeakPolarHBondContact O-CD1 3.47Å; D181-L185 VanDerWaalsContact O-CG 3.27Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 2.93Å
182L95.9Very high93.5Very high0 Ų068.3 Ų68.30%035%0.35CS..Hα-helixtrans-64.7-39.7-179.6-62.8-167000112.2L125 F126 I129 W144 I152 Y156 W177 S178 H179 L185 S186L125-L182 HydrophobicContact CD2-CD1 3.51Å; L125-L182 HydrophobicContact CG-CD1 3.8Å; F126-L182 HydrophobicContact CD1-CD1 3.66Å; F126-L182 HydrophobicContact CD1-CG 4.21Å; F126-L182 HydrophobicContact CE1-CD1 3.5Å; F126-L182 VanDerWaalsContact CE1-CD1 3.5Å; F126-L182 HydrophobicContact CE1-CG 3.93Å; I129-L182 HydrophobicContact CB-CD2 4.45Å; I129-L182 HydrophobicContact CG1-CD2 3.97Å; I129-L182 HydrophobicContact CG2-CD2 4.12Å; W144-L182 HydrophobicContact CH2-CD2 4.27Å; I152-L182 HydrophobicContact CG2-CB 4.19Å; Y156-L182 HydrophobicContact CE2-CB 4.27Å; W177-L182 HydrophobicContact CE3-CD2 3.88Å; W177-L182 HydrophobicContact CZ3-CD2 4.35Å; S178-L182 PolarHBondContact O-N 3.28Å; H179-L182 PolarHBondContact O-N 3.47Å; L182-L185 PolarHBondContact O-N 2.83Å; L182-S186 WeakPolarHBondContact O-CB 3.15Å; L182-S186 PolarHBondContact O-N 3.12Å; L182-S186 PolarHBondContact O-OG 3.11Å
183L94.9Very high93.4Very high10 Ų1067.7 Ų67.75%0.05235%0.349CS..Hα-helixtrans-63.2-44.3175.8-70174000111.8Y156 H179 D181 S186 H187 L188 T199 I202 T203Y156-L183 HydrophobicContact CD2-CD2 4.21Å; Y156-L183 HydrophobicContact CE1-CD2 4.46Å; Y156-L183 HydrophobicContact CE2-CD2 4.19Å; Y156-L183 HydrophobicContact CG-CD2 4.4Å; H179-L183 WeakPolarHBondContact O-CB 3.33Å; H179-L183 WeakPolarHBondContact O-CG 3.43Å; H179-L183 PolarHBondContact O-N 2.78Å; D181-L183 PolarHBondContact O-N 3.32Å; L183-S186 PolarHBondContact O-OG 3.25Å; L183-H187 PolarHBondContact O-N 3.49Å; L183-L188 HydrophobicContact CD2-CB 3.96Å; L183-L188 HydrophobicContact CD2-CD2 3.28Å; L183-L188 HydrophobicContact CD2-CG 4.22Å; L183-T199 HydrophobicContact CD1-CG2 4.03Å; L183-T199 HydrophobicContact CD2-CG2 4.21Å; L183-I202 HydrophobicContact CD1-CB 3.89Å; L183-I202 HydrophobicContact CD1-CD1 3.82Å; L183-I202 HydrophobicContact CD1-CG1 4.49Å; L183-I202 HydrophobicContact CD1-CG2 3.68Å; L183-T203 HydrophobicContact CD1-CG2 4.24Å
184R94.6Very high93.4Very high163 Ų16362.1 Ų62.162%0.61533%0.326SS*.Hα-helixtrans-61.4-45.4176.8178.3175.459.9138.3-5.2111.8K180 D181 H187K180-R184 WeakPolarHBondContact O-CB 3.49Å; K180-R184 PolarHBondContact O-N 3.44Å; D181-R184 PolarHBondContact O-N 3.31Å; D181-R184 IonicContact OD1-NH2 3.39Å; D181-R184 PolarHBondContact OD1-NH2 3.3Å; R184-H187 PolarHBondContact O-CD2 2.96Å
185L94.4Very high93.4Very high48 Ų4858.1 Ų58.125%0.25131%0.311SS..Hα-helixtrans-83.5-27.3-172.7-65.1166.2000113.5W144 R149 W177 D181 L182W144-L185 HydrophobicContact CD2-CB 3.96Å; W144-L185 HydrophobicContact CE3-CB 3.84Å; W144-L185 HydrophobicContact CH2-CB 3.25Å; W144-L185 HydrophobicContact CH2-CD1 4.03Å; W144-L185 HydrophobicContact CH2-CG 4.26Å; W144-L185 HydrophobicContact CZ2-CB 3.38Å; W144-L185 HydrophobicContact CZ2-CD1 3.31Å; W144-L185 HydrophobicContact CZ2-CG 3.92Å; W144-L185 HydrophobicContact CZ3-CB 3.47Å; W144-L185 VanDerWaalsContact CZ3-CB 3.47Å; R149-L185 WeakPolarHBondContact CD-O 3.49Å; R149-L185 WeakPolarHBondContact CG-O 3.35Å; W177-L185 HydrophobicContact CH2-CD1 4.36Å; W177-L185 HydrophobicContact CZ3-CD1 3.7Å; D181-L185 WeakPolarHBondContact O-CB 3.29Å; D181-L185 WeakPolarHBondContact O-CD1 3.47Å; D181-L185 VanDerWaalsContact O-CG 3.27Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 2.93Å; L182-L185 PolarHBondContact O-N 2.83Å
186S93.8Very high93.6Very high5 Ų555.8 Ų55.84%0.03530%0.303CS..Hα-helixtrans-78.8-21.3174.360.60000113.4L182 L183 L188L182-S186 WeakPolarHBondContact O-CB 3.15Å; L182-S186 PolarHBondContact O-N 3.12Å; L182-S186 PolarHBondContact O-OG 3.11Å; L183-S186 PolarHBondContact O-OG 3.25Å; S186-L188 VanDerWaalsContact C-N 3.27Å; S186-L188 PolarHBondContact OG-N 3.47Å
187H91.7Very high93.7Very high143 Ų14352.1 Ų52.166%0.66227%0.265SS*.THydrogen-bonded Turntrans56.443.8-171.5-62-145.3000111.1L183 R184 K189L183-H187 PolarHBondContact O-N 3.49Å; R184-H187 PolarHBondContact O-CD2 2.96Å; H187-K189 PolarHBondContact O-N 3.01Å
188L92.6Very high93.7Very high20 Ų2050.9 Ų50.911%0.10526%0.26CS..  trans-54131.4-179174.267.7000111.2A153 Y156 N157 L183 S186A153-L188 HydrophobicContact CB-CD1 3.8Å; A153-L188 WeakPolarHBondContact O-CD1 3.37Å; Y156-L188 HydrophobicContact CD2-CD2 4.34Å; Y156-L188 HydrophobicContact CG-CD2 4.07Å; N157-L188 WeakPolarHBondContact ND2-CD1 3.46Å; L183-L188 HydrophobicContact CD2-CB 3.96Å; L183-L188 HydrophobicContact CD2-CD2 3.28Å; L183-L188 HydrophobicContact CD2-CG 4.22Å; S186-L188 VanDerWaalsContact C-N 3.27Å; S186-L188 PolarHBondContact OG-N 3.47Å
189K93.4Very high93.5Very high176 Ų17650.9 Ų50.977%0.76526%0.259SS*.  trans-105113.4162.1-67-175.3179.8-176.60108.1N157 H187 S191N157-K189 PolarHBondContact ND2-O 3.46Å; N157-K189 VanDerWaalsContact ND2-O 3.08Å; N157-K189 PolarHBondContact OD1-O 3.07Å; H187-K189 PolarHBondContact O-N 3.01Å; K189-S191 PolarHBondContact O-N 3.42Å
190P93.1Very high93.4Very high52 Ų5254 Ų5434%0.33827%0.273SS..  trans-59.8133.2179.2-24.234.1000111.8L195 A196 T199P190-L195 HydrophobicContact CB-CB 4Å; P190-A196 HydrophobicContact CB-CB 4.04Å; P190-A196 HydrophobicContact CG-CB 4.31Å; P190-T199 HydrophobicContact CG-CG2 4.23Å
191S92.8Very high93.4Very high82 Ų8249.5 Ų49.557%0.57325%0.253SS*.SBendtrans-83.3-16.8178.957.80000114.3N157 K189 L195N157-S191 PolarHBondContact OD1-N 3.31Å; N157-S191 PolarHBondContact OD1-OG 3.31Å; K189-S191 PolarHBondContact O-N 3.42Å; S191-L195 VanDerWaalsContact OG-CD1 3.26Å; S191-L195 WeakPolarHBondContact OG-CD1 3.5Å
192S90.9Very high93.3Very high54 Ų5449.1 Ų49.138%0.37825%0.25SS..SBendtrans-140.3161.8-178.467.90000112.2L195 A196S192-L195 PolarHBondContact O-N 2.95Å; S192-L195 WeakPolarHBondContact OG-CD1 3.43Å; S192-L195 VanDerWaalsContact OG-CG 3.32Å; S192-L195 WeakPolarHBondContact OG-CG 3.36Å; S192-L195 PolarHBondContact OG-N 3.16Å; S192-A196 PolarHBondContact O-N 2.73Å
193E89.9Confident93.2Very high89 Ų8951.7 Ų51.742%0.41627%0.266SS..Hα-helixtrans-62.5-42.7178.3-176.2168.6-145.300112.3L195 A196 I197 Y213E193-L195 VanDerWaalsContact C-N 3.28Å; E193-L195 PolarHBondContact O-N 3.33Å; E193-A196 WeakPolarHBondContact O-CA 3.33Å; E193-A196 WeakPolarHBondContact O-CB 3.17Å; E193-A196 PolarHBondContact O-N 3.44Å; E193-I197 HydrophobicContact CG-CD1 4.31Å; E193-I197 WeakPolarHBondContact O-CG1 3.43Å; E193-I197 PolarHBondContact O-N 2.89Å; E193-Y213 HydrophobicContact CG-CE1 4.46Å
194G90.9Very high93.1Very high12 Ų1257.3 Ų57.312%0.12429%0.29CS..Hα-helixtrans-58.6-39.7175.500000112.6I197 V198G194-I197 PolarHBondContact O-N 3.14Å; G194-V198 WeakPolarHBondContact O-CG2 3.49Å; G194-V198 PolarHBondContact O-N 3.47Å; G194-V198 VanDerWaalsContact O-N 3.14Å
195L92.1Very high93Very high1 Ų150.8 Ų50.81%0.00527%0.274CS..Hα-helixtrans-69.1-36.2173.8-72.8172.1000112.6Y156 K159 L164 P190 S191 S192 E193 I197 V198 T199Y156-L195 WeakPolarHBondContact O-CD2 3.49Å; K159-L195 WeakPolarHBondContact O-CD2 3.45Å; L164-L195 HydrophobicContact CB-CD2 4.24Å; L164-L195 HydrophobicContact CD2-CD2 3.39Å; L164-L195 HydrophobicContact CG-CD2 4.44Å; P190-L195 HydrophobicContact CB-CB 4Å; S191-L195 VanDerWaalsContact OG-CD1 3.26Å; S191-L195 WeakPolarHBondContact OG-CD1 3.5Å; S192-L195 PolarHBondContact O-N 2.95Å; S192-L195 WeakPolarHBondContact OG-CD1 3.43Å; S192-L195 VanDerWaalsContact OG-CG 3.32Å; S192-L195 WeakPolarHBondContact OG-CG 3.36Å; S192-L195 PolarHBondContact OG-N 3.16Å; E193-L195 VanDerWaalsContact C-N 3.28Å; E193-L195 PolarHBondContact O-N 3.33Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-V198 PolarHBondContact O-N 3.19Å; L195-T199 VanDerWaalsContact O-CB 3.23Å; L195-T199 WeakPolarHBondContact O-CB 3.44Å; L195-T199 PolarHBondContact O-N 3.16Å; L195-T199 PolarHBondContact O-OG1 2.96Å
196A92.8Very high93Very high32 Ų3249.8 Ų49.826%0.26427%0.267SS..Hα-helixtrans-62.8-40.6175.400000111.3P190 S192 E193 K200P190-A196 HydrophobicContact CB-CB 4.04Å; P190-A196 HydrophobicContact CG-CB 4.31Å; S192-A196 PolarHBondContact O-N 2.73Å; E193-A196 WeakPolarHBondContact O-CA 3.33Å; E193-A196 WeakPolarHBondContact O-CB 3.17Å; E193-A196 PolarHBondContact O-N 3.44Å; A196-K200 VanDerWaalsContact O-CB 3.27Å; A196-K200 WeakPolarHBondContact O-CB 3.21Å; A196-K200 PolarHBondContact O-N 3.02Å
197I93.7Very high92.8Very high0 Ų057.5 Ų57.50%030%0.3CS..Hα-helixtrans-60.3-51.9174.1-69.8168.1000110.8E193 G194 L195 T199 K200 Y201 V209 Y213 T222 L225 L226 L229E193-I197 HydrophobicContact CG-CD1 4.31Å; E193-I197 WeakPolarHBondContact O-CG1 3.43Å; E193-I197 PolarHBondContact O-N 2.89Å; G194-I197 PolarHBondContact O-N 3.14Å; L195-I197 VanDerWaalsContact C-N 3.32Å; I197-T199 PolarHBondContact O-N 2.98Å; I197-K200 PolarHBondContact O-N 3.17Å; I197-Y201 WeakPolarHBondContact O-CB 3.21Å; I197-Y201 PolarHBondContact O-N 3.06Å; I197-V209 HydrophobicContact CG2-CG1 3.92Å; I197-Y213 HydrophobicContact CD1-CD1 4.27Å; I197-Y213 HydrophobicContact CD1-CE1 3.86Å; I197-Y213 HydrophobicContact CD1-CE2 4.32Å; I197-Y213 HydrophobicContact CG1-CD1 4.48Å; I197-Y213 HydrophobicContact CG1-CD2 4.21Å; I197-Y213 HydrophobicContact CG1-CE1 3.85Å; I197-Y213 HydrophobicContact CG1-CE2 3.55Å; I197-Y213 WeakPolarHBondContact CG1-OH 3.28Å; I197-T222 HydrophobicContact CD1-CG2 3.21Å; I197-L225 HydrophobicContact CB-CD2 4.13Å; I197-L225 HydrophobicContact CD1-CD2 4.33Å; I197-L225 HydrophobicContact CG2-CD2 3.99Å; I197-L225 HydrophobicContact CG2-CG 4.44Å; I197-L226 HydrophobicContact CG2-CD2 3.85Å; I197-L229 HydrophobicContact CG2-CD1 4.07Å
198V94.8Very high92.8Very high0 Ų055.3 Ų55.30%029%0.289CS..Hα-helixtrans-65.8-40.7-178.1178.20000111.6L164 A165 V168 G194 L195 K200 Y201 I202 L225L164-V198 HydrophobicContact CB-CG1 4.47Å; L164-V198 HydrophobicContact CD2-CB 4.16Å; L164-V198 HydrophobicContact CD2-CG1 3.76Å; L164-V198 HydrophobicContact CG-CG1 3.81Å; A165-V198 HydrophobicContact CB-CG2 3.96Å; V168-V198 HydrophobicContact CG1-CG1 4.4Å; V168-V198 HydrophobicContact CG2-CG1 3.77Å; G194-V198 WeakPolarHBondContact O-CG2 3.49Å; G194-V198 PolarHBondContact O-N 3.47Å; G194-V198 VanDerWaalsContact O-N 3.14Å; L195-V198 PolarHBondContact O-N 3.19Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 3.17Å; V198-Y201 WeakPolarHBondContact O-CB 3.34Å; V198-Y201 PolarHBondContact O-N 3.15Å; V198-I202 HydrophobicContact CG1-CD1 3.89Å; V198-I202 WeakPolarHBondContact O-CD1 3.38Å; V198-I202 VanDerWaalsContact O-CG1 3.28Å; V198-I202 WeakPolarHBondContact O-CG1 3.46Å; V198-I202 PolarHBondContact O-N 3.05Å; V198-L225 HydrophobicContact CG2-CD1 3.92Å; V198-L225 HydrophobicContact CG2-CD2 4.18Å
199T94.3Very high92.8Very high19 Ų1954.3 Ų54.312%0.11728%0.284CS..Hα-helixtrans-61.9-41.6175.9-58.10000111L183 P190 L195 I197 I202 T203L183-T199 HydrophobicContact CD1-CG2 4.03Å; L183-T199 HydrophobicContact CD2-CG2 4.21Å; P190-T199 HydrophobicContact CG-CG2 4.23Å; L195-T199 VanDerWaalsContact O-CB 3.23Å; L195-T199 WeakPolarHBondContact O-CB 3.44Å; L195-T199 PolarHBondContact O-N 3.16Å; L195-T199 PolarHBondContact O-OG1 2.96Å; I197-T199 PolarHBondContact O-N 2.98Å; T199-I202 PolarHBondContact O-N 3Å; T199-T203 WeakPolarHBondContact O-CB 3.44Å; T199-T203 WeakPolarHBondContact O-CG2 3.35Å; T199-T203 PolarHBondContact O-N 3.27Å; T199-T203 PolarHBondContact O-OG1 3.38Å
200K94.3Very high92.6Very high70 Ų7049.6 Ų49.630%0.30427%0.265SS..Hα-helixtrans-67-43.1175.3-170166-72.2-169.30111.4A196 I197 V198 I202 T203 K204 V209A196-K200 VanDerWaalsContact O-CB 3.27Å; A196-K200 WeakPolarHBondContact O-CB 3.21Å; A196-K200 PolarHBondContact O-N 3.02Å; I197-K200 PolarHBondContact O-N 3.17Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 3.17Å; K200-I202 VanDerWaalsContact C-N 3.3Å; K200-I202 PolarHBondContact O-N 2.77Å; K200-T203 WeakPolarHBondContact CA-OG1 3.36Å; K200-T203 PolarHBondContact O-N 2.83Å; K200-T203 PolarHBondContact O-OG1 3Å; K200-K204 HydrophobicContact CG-CB 4.29Å; K200-K204 HydrophobicContact CG-CG 4.28Å; K200-K204 VanDerWaalsContact O-CB 3.3Å; K200-K204 WeakPolarHBondContact O-CB 3.33Å; K200-K204 PolarHBondContact O-N 3.12Å; K200-V209 HydrophobicContact CB-CG2 4.11Å; K200-V209 HydrophobicContact CG-CG2 3.99Å
201Y95.5Very high92.5Very high24 Ų2453.7 Ų53.79%0.09428%0.279CS..Hα-helixtrans-54.8-44.2173.9172.3-98.7000111.9T169 I197 V198 G205 W206 L229 E233 K236T169-Y201 HydrophobicContact CG2-CE1 4.29Å; I197-Y201 WeakPolarHBondContact O-CB 3.21Å; I197-Y201 PolarHBondContact O-N 3.06Å; V198-Y201 WeakPolarHBondContact O-CB 3.34Å; V198-Y201 PolarHBondContact O-N 3.15Å; Y201-G205 WeakPolarHBondContact O-CA 3.49Å; Y201-G205 PolarHBondContact O-N 3.42Å; Y201-W206 HydrophobicContact CD2-CB 4.25Å; Y201-W206 HydrophobicContact CD2-CE3 4.2Å; Y201-W206 HydrophobicContact CE2-CB 4.03Å; Y201-W206 HydrophobicContact CE2-CE3 4.45Å; Y201-L229 HydrophobicContact CD1-CD2 4.1Å; Y201-L229 HydrophobicContact CD2-CD1 4.37Å; Y201-L229 HydrophobicContact CD2-CD2 4.37Å; Y201-L229 HydrophobicContact CE1-CD2 4.11Å; Y201-L229 HydrophobicContact CE2-CD2 4.37Å; Y201-L229 HydrophobicContact CG-CD1 4.26Å; Y201-L229 HydrophobicContact CG-CD2 4.24Å; Y201-E233 HydrophobicContact CE2-CG 4.22Å; Y201-E233 PolarHBondContact OH-OE1 3.5Å; Y201-K236 PolarHBondContact OH-NZ 2.91Å
202I94.3Very high92.3Very high31 Ų3153 Ų5316%0.15927%0.269CS..Hα-helixtrans-69.4-41.4179.8-64.5157.3000112.2V168 H179 K180 L183 V198 T199 K200V168-I202 HydrophobicContact CB-CD1 4.08Å; V168-I202 HydrophobicContact CB-CG1 4.39Å; V168-I202 HydrophobicContact CG1-CD1 3.79Å; V168-I202 HydrophobicContact CG2-CD1 4.17Å; V168-I202 HydrophobicContact CG2-CG1 4.29Å; H179-I202 HydrophobicContact CB-CD1 4.09Å; H179-I202 HydrophobicContact CB-CG1 4.46Å; H179-I202 HydrophobicContact CB-CG2 3.79Å; K180-I202 HydrophobicContact CB-CG2 3.99Å; L183-I202 HydrophobicContact CD1-CB 3.89Å; L183-I202 HydrophobicContact CD1-CD1 3.82Å; L183-I202 HydrophobicContact CD1-CG1 4.49Å; L183-I202 HydrophobicContact CD1-CG2 3.68Å; V198-I202 HydrophobicContact CG1-CD1 3.89Å; V198-I202 WeakPolarHBondContact O-CD1 3.38Å; V198-I202 VanDerWaalsContact O-CG1 3.28Å; V198-I202 WeakPolarHBondContact O-CG1 3.46Å; V198-I202 PolarHBondContact O-N 3.05Å; T199-I202 PolarHBondContact O-N 3Å; K200-I202 VanDerWaalsContact C-N 3.3Å; K200-I202 PolarHBondContact O-N 2.77Å
203T93.3Very high92.1Very high54 Ų5451.2 Ų51.233%0.33125%0.254SS..Hα-helixtrans-81.5-35.3-172.549.90000112.9L183 T199 K200L183-T203 HydrophobicContact CD1-CG2 4.24Å; T199-T203 WeakPolarHBondContact O-CB 3.44Å; T199-T203 WeakPolarHBondContact O-CG2 3.35Å; T199-T203 PolarHBondContact O-N 3.27Å; T199-T203 PolarHBondContact O-OG1 3.38Å; K200-T203 WeakPolarHBondContact CA-OG1 3.36Å; K200-T203 PolarHBondContact O-N 2.83Å; K200-T203 PolarHBondContact O-OG1 3Å
204K92.9Very high91.8Very high128 Ų12853.5 Ų53.556%0.55726%0.263SS*.Hα-helixtrans-120.3-24.2-169.1-65.5-57.9-168.3166.50114.8K200 E208K200-K204 HydrophobicContact CG-CB 4.29Å; K200-K204 HydrophobicContact CG-CG 4.28Å; K200-K204 VanDerWaalsContact O-CB 3.3Å; K200-K204 WeakPolarHBondContact O-CB 3.33Å; K200-K204 PolarHBondContact O-N 3.12Å; K204-E208 HydrophobicContact CB-CB 4.09Å; K204-E208 VanDerWaalsContact CB-CD 3.47Å; K204-E208 HydrophobicContact CB-CG 4.25Å; K204-E208 WeakPolarHBondContact CB-OE2 3.39Å; K204-E208 VanDerWaalsContact CD-OE2 3.28Å; K204-E208 WeakPolarHBondContact CD-OE2 3.41Å; K204-E208 WeakPolarHBondContact CG-OE2 3.35Å
205G92.8Very high91.2Very high26 Ų2661.7 Ų61.727%0.26830%0.298SS..  trans93.7172.9179.700000114.3Y201 K207 V209Y201-G205 WeakPolarHBondContact O-CA 3.49Å; Y201-G205 PolarHBondContact O-N 3.42Å; G205-K207 PolarHBondContact O-N 3.18Å; G205-V209 PolarHBondContact O-N 3.24Å
206W92.6Very high90.7Very high28 Ų2866.8 Ų66.811%0.10632%0.32CS..Hα-helixtrans-63.2-40.2-172177.2-118.2000114.8Y201 E208 V209 H210 L226 L229 E230 E233Y201-W206 HydrophobicContact CD2-CB 4.25Å; Y201-W206 HydrophobicContact CD2-CE3 4.2Å; Y201-W206 HydrophobicContact CE2-CB 4.03Å; Y201-W206 HydrophobicContact CE2-CE3 4.45Å; W206-E208 VanDerWaalsContact C-N 3.32Å; W206-E208 PolarHBondContact O-N 2.72Å; W206-V209 HydrophobicContact CE3-CB 4.37Å; W206-V209 HydrophobicContact CE3-CG1 4.34Å; W206-V209 HydrophobicContact CZ3-CG1 4.16Å; W206-V209 PolarHBondContact O-N 2.89Å; W206-V209 VanDerWaalsContact O-N 3.09Å; W206-H210 HydrophobicContact CZ2-CB 4.2Å; W206-H210 AromaticContact CZ2-CD2 4Å; W206-H210 WeakPolarHBondContact O-CB 3.49Å; W206-H210 PolarHBondContact O-N 3.16Å; W206-L226 HydrophobicContact CH2-CB 4.47Å; W206-L226 HydrophobicContact CH2-CD2 4.32Å; W206-L226 VanDerWaalsContact CH2-O 3.31Å; W206-L226 WeakPolarHBondContact CH2-O 3.42Å; W206-L226 HydrophobicContact CZ3-CD2 4.1Å; W206-L229 HydrophobicContact CE3-CB 3.88Å; W206-L229 HydrophobicContact CH2-CB 4.28Å; W206-L229 HydrophobicContact CZ3-CB 3.49Å; W206-L229 VanDerWaalsContact CZ3-CB 3.49Å; W206-L229 HydrophobicContact CZ3-CD1 4.35Å; W206-E230 HydrophobicContact CH2-CB 3.77Å; W206-E230 HydrophobicContact CZ2-CB 3.45Å; W206-E230 VanDerWaalsContact CZ2-CB 3.45Å; W206-E230 HydrophobicContact CZ2-CG 3.8Å; W206-E233 HydrophobicContact CB-CG 3.72Å; W206-E233 HydrophobicContact CD2-CG 4.31Å; W206-E233 HydrophobicContact CG-CB 4.36Å; W206-E233 HydrophobicContact CG-CG 3.74Å
207K91.5Very high90.1Very high167 Ų16770.3 Ų70.373%0.72635%0.349SS*.Hα-helixtrans-57.7-45.1-176.3-67.7-174.4178.5-176.30111.9G205 V209 E211G205-K207 PolarHBondContact O-N 3.18Å; K207-V209 VanDerWaalsContact C-N 3.34Å; K207-E211 PolarHBondContact O-N 3.25Å; K207-E211 VanDerWaalsContact O-N 3.1Å
208E91.7Very high89.6Confident96 Ų9672 Ų7245%0.44936%0.358SS..Hα-helixtrans-68.6-33.2178.4-68.9-171.4-147.600112.5K204 W206 L212K204-E208 HydrophobicContact CB-CB 4.09Å; K204-E208 VanDerWaalsContact CB-CD 3.47Å; K204-E208 HydrophobicContact CB-CG 4.25Å; K204-E208 WeakPolarHBondContact CB-OE2 3.39Å; K204-E208 VanDerWaalsContact CD-OE2 3.28Å; K204-E208 WeakPolarHBondContact CD-OE2 3.41Å; K204-E208 WeakPolarHBondContact CG-OE2 3.35Å; W206-E208 VanDerWaalsContact C-N 3.32Å; W206-E208 PolarHBondContact O-N 2.72Å; E208-L212 WeakPolarHBondContact O-CB 3.45Å; E208-L212 PolarHBondContact O-N 3.28Å
209V91.7Very high89.2Confident0 Ų074.5 Ų74.50%038%0.375CS..Hα-helixtrans-69.5-48.7175.8173.60000110.6I197 K200 G205 W206 K207 E211 L212 Y213 L226I197-V209 HydrophobicContact CG2-CG1 3.92Å; K200-V209 HydrophobicContact CB-CG2 4.11Å; K200-V209 HydrophobicContact CG-CG2 3.99Å; G205-V209 PolarHBondContact O-N 3.24Å; W206-V209 HydrophobicContact CE3-CB 4.37Å; W206-V209 HydrophobicContact CE3-CG1 4.34Å; W206-V209 HydrophobicContact CZ3-CG1 4.16Å; W206-V209 PolarHBondContact O-N 2.89Å; W206-V209 VanDerWaalsContact O-N 3.09Å; K207-V209 VanDerWaalsContact C-N 3.34Å; V209-E211 VanDerWaalsContact C-N 3.34Å; V209-E211 PolarHBondContact O-N 3.04Å; V209-L212 PolarHBondContact O-N 3.14Å; V209-Y213 HydrophobicContact CG1-CD2 4.14Å; V209-Y213 WeakPolarHBondContact O-CD2 3.18Å; V209-Y213 PolarHBondContact O-N 3.23Å; V209-L226 HydrophobicContact CG1-CD2 3.65Å
210H89.7Confident88.8Confident77 Ų7778.1 Ų78.136%0.35640%0.397SS..Hα-helixtrans-57.1-48178.9179.6-87.3000111.2W206 L212 Y213 K214W206-H210 HydrophobicContact CZ2-CB 4.2Å; W206-H210 AromaticContact CZ2-CD2 4Å; W206-H210 WeakPolarHBondContact O-CB 3.49Å; W206-H210 PolarHBondContact O-N 3.16Å; H210-L212 PolarHBondContact O-N 2.92Å; H210-Y213 PolarHBondContact O-N 2.85Å; H210-K214 WeakPolarHBondContact O-CB 3.38Å; H210-K214 PolarHBondContact O-N 2.98Å
211E90.3Very high88.4Confident137 Ų13782.1 Ų82.164%0.6442%0.417SS*.Hα-helixtrans-61.9-41.2-179.5-165.661.6-163.100112.9K207 V209 Y213K207-E211 PolarHBondContact O-N 3.25Å; K207-E211 VanDerWaalsContact O-N 3.1Å; V209-E211 VanDerWaalsContact C-N 3.34Å; V209-E211 PolarHBondContact O-N 3.04Å; E211-Y213 VanDerWaalsContact C-N 3.29Å; E211-Y213 PolarHBondContact O-N 3.31Å
212L88.3Confident88Confident67 Ų6781.4 Ų81.435%0.35142%0.415SS..Hα-helixtrans-73.9-20.9-175.8-166.4127.5000113.9E208 V209 H210 K216E208-L212 WeakPolarHBondContact O-CB 3.45Å; E208-L212 PolarHBondContact O-N 3.28Å; V209-L212 PolarHBondContact O-N 3.14Å; H210-L212 PolarHBondContact O-N 2.92Å; L212-K216 WeakPolarHBondContact O-CE 3.25Å
213Y87.2Confident87.8Confident17 Ų1784.2 Ų84.27%0.06743%0.428CS..Hα-helixtrans-116.6-1-174.4-72.1-81.4000113.9E193 I197 V209 H210 E211 E215 K216 L218E193-Y213 HydrophobicContact CG-CE1 4.46Å; I197-Y213 HydrophobicContact CD1-CD1 4.27Å; I197-Y213 HydrophobicContact CD1-CE1 3.86Å; I197-Y213 HydrophobicContact CD1-CE2 4.32Å; I197-Y213 HydrophobicContact CG1-CD1 4.48Å; I197-Y213 HydrophobicContact CG1-CD2 4.21Å; I197-Y213 HydrophobicContact CG1-CE1 3.85Å; I197-Y213 HydrophobicContact CG1-CE2 3.55Å; I197-Y213 WeakPolarHBondContact CG1-OH 3.28Å; V209-Y213 HydrophobicContact CG1-CD2 4.14Å; V209-Y213 WeakPolarHBondContact O-CD2 3.18Å; V209-Y213 PolarHBondContact O-N 3.23Å; H210-Y213 PolarHBondContact O-N 2.85Å; E211-Y213 VanDerWaalsContact C-N 3.29Å; E211-Y213 PolarHBondContact O-N 3.31Å; Y213-E215 VanDerWaalsContact C-N 3.32Å; Y213-E215 PolarHBondContact O-N 2.92Å; Y213-K216 HydrophobicContact CD1-CD 4.01Å; Y213-K216 HydrophobicContact CE1-CD 4.27Å; Y213-L218 HydrophobicContact CD1-CD2 3.61Å; Y213-L218 HydrophobicContact CE1-CD2 4.23Å
214K82.4Confident87.7Confident138 Ų13888.2 Ų88.260%0.644%0.441SS*.THydrogen-bonded Turntrans-59.8-37.8-179.3-171.2-176.9177.7-165.90113.8H210H210-K214 WeakPolarHBondContact O-CB 3.38Å; H210-K214 PolarHBondContact O-N 2.98Å
215E78.4Confident87.7Confident183 Ų18382.3 Ų82.386%0.85542%0.415SS*.THydrogen-bonded Turntrans-111.76-173-62.1-176.4172.500113.3Y213Y213-E215 VanDerWaalsContact C-N 3.32Å; Y213-E215 PolarHBondContact O-N 2.92Å
216K83.2Confident87.7Confident108 Ų10882 Ų8247%0.4741%0.407SS..SBendtrans-86.1141.4179.7-73.5-170.7174.6-172.20110.8L212 Y213 L218L212-K216 WeakPolarHBondContact O-CE 3.25Å; Y213-K216 HydrophobicContact CD1-CD 4.01Å; Y213-K216 HydrophobicContact CE1-CD 4.27Å; K216-L218 HydrophobicContact CB-CD2 4.34Å; K216-L218 HydrophobicContact CB-CG 4.46Å; K216-L218 WeakPolarHBondContact O-CG 3.13Å; K216-L218 PolarHBondContact O-N 3.41Å
217A79.7Confident87.7Confident107 Ų10786.5 Ų86.588%0.88443%0.427SS*.  trans-66.6118.2163.200000108.5
218L83.7Confident87.9Confident34 Ų3478.7 Ų78.718%0.17839%0.393CS..  trans-112.9151.2-175.1-67.8167.7000110.4Y213 K216 T222 E223 L226Y213-L218 HydrophobicContact CD1-CD2 3.61Å; Y213-L218 HydrophobicContact CE1-CD2 4.23Å; K216-L218 HydrophobicContact CB-CD2 4.34Å; K216-L218 HydrophobicContact CB-CG 4.46Å; K216-L218 WeakPolarHBondContact O-CG 3.13Å; K216-L218 PolarHBondContact O-N 3.41Å; L218-T222 HydrophobicContact CB-CG2 4.22Å; L218-T222 HydrophobicContact CD1-CG2 4.3Å; L218-T222 HydrophobicContact CD2-CG2 3.41Å; L218-T222 VanDerWaalsContact CD2-CG2 3.41Å; L218-T222 HydrophobicContact CG-CG2 4.17Å; L218-E223 HydrophobicContact CB-CG 3.86Å; L218-E223 HydrophobicContact CD1-CG 4.35Å; L218-L226 HydrophobicContact CD1-CD1 3.4Å; L218-L226 VanDerWaalsContact CD1-CD1 3.4Å
219S85.4Confident88Confident53 Ų5374.1 Ų74.137%0.37137%0.372SS..  trans-69.1154.4165.970.60000110.4E221 T222 E223S219-E221 PolarHBondContact O-N 3.2Å; S219-E221 VanDerWaalsContact O-N 3.13Å; S219-T222 PolarHBondContact O-N 2.96Å; S219-T222 PolarHBondContact OG-N 3.45Å; S219-T222 PolarHBondContact OG-OG1 2.86Å; S219-T222 VanDerWaalsContact OG-OG1 3.09Å; S219-E223 PolarHBondContact O-N 3.43Å
220V86.7Confident88.2Confident95 Ų9578.6 Ų78.658%0.57639%0.393SS*.Hα-helixtrans-54.2-34.6176.7179.30000112K224V220-K224 WeakPolarHBondContact O-CG 3.39Å; V220-K224 PolarHBondContact O-N 2.87Å; V220-K224 VanDerWaalsContact O-N 3.15Å
221E85.8Confident88.4Confident155 Ų15575.1 Ų75.172%0.72438%0.377SS*.Hα-helixtrans-68.4-41.3178.1-64.9160.817400111.9S219 K224 L225S219-E221 PolarHBondContact O-N 3.2Å; S219-E221 VanDerWaalsContact O-N 3.13Å; E221-K224 PolarHBondContact O-N 3Å; E221-L225 WeakPolarHBondContact O-CB 3.21Å; E221-L225 PolarHBondContact O-N 3.26Å
222T86.9Confident88.6Confident8 Ų868.6 Ų68.65%0.04935%0.347CS..Hα-helixtrans-70.3-37.2178-65.10000111.7I197 L218 S219 L225 L226I197-T222 HydrophobicContact CD1-CG2 3.21Å; L218-T222 HydrophobicContact CB-CG2 4.22Å; L218-T222 HydrophobicContact CD1-CG2 4.3Å; L218-T222 HydrophobicContact CD2-CG2 3.41Å; L218-T222 VanDerWaalsContact CD2-CG2 3.41Å; L218-T222 HydrophobicContact CG-CG2 4.17Å; S219-T222 PolarHBondContact O-N 2.96Å; S219-T222 PolarHBondContact OG-N 3.45Å; S219-T222 PolarHBondContact OG-OG1 2.86Å; S219-T222 VanDerWaalsContact OG-OG1 3.09Å; T222-L225 WeakPolarHBondContact O-CB 3.46Å; T222-L225 PolarHBondContact O-N 3.03Å; T222-L226 HydrophobicContact CG2-CD1 4.42Å; T222-L226 WeakPolarHBondContact O-CG 3.44Å; T222-L226 PolarHBondContact O-N 3.11Å
223E89.2Confident88.9Confident91 Ų9166.9 Ų66.943%0.42534%0.337SS..Hα-helixtrans-62.4-45.3172.8-71-176.3175.500112.1L218 S219 L225 L226 K227L218-E223 HydrophobicContact CB-CG 3.86Å; L218-E223 HydrophobicContact CD1-CG 4.35Å; S219-E223 PolarHBondContact O-N 3.43Å; E223-L225 VanDerWaalsContact C-N 3.29Å; E223-L225 PolarHBondContact O-N 3.33Å; E223-L226 PolarHBondContact O-N 3.48Å; E223-K227 WeakPolarHBondContact O-CG 3.23Å; E223-K227 PolarHBondContact O-N 2.98Å
224K91.4Very high89.3Confident138 Ų13870.9 Ų70.960%0.636%0.355SS*.Hα-helixtrans-59.1-42.1175.2-74.5175.9-178.2179.10111.7V220 E221 Y228V220-K224 WeakPolarHBondContact O-CG 3.39Å; V220-K224 PolarHBondContact O-N 2.87Å; V220-K224 VanDerWaalsContact O-N 3.15Å; E221-K224 PolarHBondContact O-N 3Å; K224-Y228 WeakPolarHBondContact O-CB 3.5Å; K224-Y228 PolarHBondContact O-N 3.38Å
225L92.5Very high89.8Confident3 Ų364.3 Ų64.32%0.01633%0.326CS..Hα-helixtrans-61-46.8176169.764.7000111.9M162 A165 I197 V198 E221 T222 E223 Y228 L229M162-L225 HydrophobicContact SD-CD1 4.4Å; A165-L225 HydrophobicContact CB-CD1 3.36Å; I197-L225 HydrophobicContact CB-CD2 4.13Å; I197-L225 HydrophobicContact CD1-CD2 4.33Å; I197-L225 HydrophobicContact CG2-CD2 3.99Å; I197-L225 HydrophobicContact CG2-CG 4.44Å; V198-L225 HydrophobicContact CG2-CD1 3.92Å; V198-L225 HydrophobicContact CG2-CD2 4.18Å; E221-L225 WeakPolarHBondContact O-CB 3.21Å; E221-L225 PolarHBondContact O-N 3.26Å; T222-L225 WeakPolarHBondContact O-CB 3.46Å; T222-L225 PolarHBondContact O-N 3.03Å; E223-L225 VanDerWaalsContact C-N 3.29Å; E223-L225 PolarHBondContact O-N 3.33Å; L225-Y228 PolarHBondContact O-N 3.26Å; L225-L229 HydrophobicContact CD1-CD1 4.31Å; L225-L229 HydrophobicContact CD1-CG 4.38Å; L225-L229 HydrophobicContact CG-CD1 4.47Å; L225-L229 WeakPolarHBondContact O-CG 3.35Å; L225-L229 PolarHBondContact O-N 3.36Å
226L92.8Very high90.4Very high21 Ų2157.6 Ų57.611%0.1129%0.294CS..Hα-helixtrans-64.7-44.9178.6-71.9174.7000111.7I197 W206 V209 L218 T222 E223 Y228 L229 E230I197-L226 HydrophobicContact CG2-CD2 3.85Å; W206-L226 HydrophobicContact CH2-CB 4.47Å; W206-L226 HydrophobicContact CH2-CD2 4.32Å; W206-L226 VanDerWaalsContact CH2-O 3.31Å; W206-L226 WeakPolarHBondContact CH2-O 3.42Å; W206-L226 HydrophobicContact CZ3-CD2 4.1Å; V209-L226 HydrophobicContact CG1-CD2 3.65Å; L218-L226 HydrophobicContact CD1-CD1 3.4Å; L218-L226 VanDerWaalsContact CD1-CD1 3.4Å; T222-L226 HydrophobicContact CG2-CD1 4.42Å; T222-L226 WeakPolarHBondContact O-CG 3.44Å; T222-L226 PolarHBondContact O-N 3.11Å; E223-L226 PolarHBondContact O-N 3.48Å; L226-Y228 VanDerWaalsContact C-N 3.28Å; L226-Y228 PolarHBondContact O-N 3.17Å; L226-L229 PolarHBondContact O-N 3.49Å; L226-E230 WeakPolarHBondContact O-CB 3.26Å; L226-E230 PolarHBondContact O-N 3.49Å
227K93.5Very high90.8Very high122 Ų12260 Ų6053%0.5330%0.3SS..Hα-helixtrans-56.9-41.8174.7-74.6-178.8178.1-178.90112E223 E230 A231E223-K227 WeakPolarHBondContact O-CG 3.23Å; E223-K227 PolarHBondContact O-N 2.98Å; K227-E230 WeakPolarHBondContact O-CB 3.35Å; K227-E230 PolarHBondContact O-N 2.63Å; K227-A231 WeakPolarHBondContact O-CB 3.07Å; K227-A231 PolarHBondContact O-N 3.18Å
228Y95.1Very high91.4Very high3 Ų355.8 Ų55.81%0.01226%0.264CS..Hα-helixtrans-63.8-46.1175.9173.4-95.6000112.6M162 A165 L166 T169 K224 L225 L226 E230 A231 V232 H251 L253 H257M162-Y228 HydrophobicContact CE-CD1 4.22Å; M162-Y228 HydrophobicContact CE-CD2 3.74Å; M162-Y228 HydrophobicContact CE-CE2 4.43Å; M162-Y228 HydrophobicContact CE-CG 3.63Å; M162-Y228 HydrophobicContact SD-CD1 4.35Å; M162-Y228 HydrophobicContact SD-CG 4.19Å; A165-Y228 HydrophobicContact CB-CD1 4.07Å; A165-Y228 HydrophobicContact CB-CE1 4.11Å; L166-Y228 HydrophobicContact CD2-CE1 4.34Å; L166-Y228 HydrophobicContact CD2-CE2 3.66Å; L166-Y228 WeakPolarHBondContact CD2-OH 3.46Å; T169-Y228 HydrophobicContact CG2-CE1 4.18Å; T169-Y228 PolarHBondContact OG1-OH 3.21Å; K224-Y228 WeakPolarHBondContact O-CB 3.5Å; K224-Y228 PolarHBondContact O-N 3.38Å; L225-Y228 PolarHBondContact O-N 3.26Å; L226-Y228 VanDerWaalsContact C-N 3.28Å; L226-Y228 PolarHBondContact O-N 3.17Å; Y228-E230 VanDerWaalsContact C-N 3.29Å; Y228-E230 PolarHBondContact O-N 3.29Å; Y228-A231 PolarHBondContact O-N 3.42Å; Y228-V232 HydrophobicContact CD1-CG2 4.43Å; Y228-V232 HydrophobicContact CE1-CG2 3.87Å; Y228-V232 HydrophobicContact CE2-CG2 4.13Å; Y228-V232 WeakPolarHBondContact O-CG2 3.37Å; Y228-V232 PolarHBondContact O-N 3.24Å; Y228-H251 HydrophobicContact CD2-CB 4.39Å; Y228-L253 HydrophobicContact CE2-CD2 3.92Å; Y228-H257 PolarHBondContact OH-CE1 3.35Å; Y228-H257 PolarHBondContact OH-NE2 2.8Å
229L94.9Very high91.7Very high0 Ų065.1 Ų65.10%030%0.296CS..Hα-helixtrans-63.8-37.2177.5-70.6177000111.8A165 T169 I197 Y201 W206 L225 L226 V232 E233A165-L229 HydrophobicContact CB-CD2 4.18Å; T169-L229 HydrophobicContact CG2-CD2 4.01Å; I197-L229 HydrophobicContact CG2-CD1 4.07Å; Y201-L229 HydrophobicContact CD1-CD2 4.1Å; Y201-L229 HydrophobicContact CD2-CD1 4.37Å; Y201-L229 HydrophobicContact CD2-CD2 4.37Å; Y201-L229 HydrophobicContact CE1-CD2 4.11Å; Y201-L229 HydrophobicContact CE2-CD2 4.37Å; Y201-L229 HydrophobicContact CG-CD1 4.26Å; Y201-L229 HydrophobicContact CG-CD2 4.24Å; W206-L229 HydrophobicContact CE3-CB 3.88Å; W206-L229 HydrophobicContact CH2-CB 4.28Å; W206-L229 HydrophobicContact CZ3-CB 3.49Å; W206-L229 VanDerWaalsContact CZ3-CB 3.49Å; W206-L229 HydrophobicContact CZ3-CD1 4.35Å; L225-L229 HydrophobicContact CD1-CD1 4.31Å; L225-L229 HydrophobicContact CD1-CG 4.38Å; L225-L229 HydrophobicContact CG-CD1 4.47Å; L225-L229 WeakPolarHBondContact O-CG 3.35Å; L225-L229 PolarHBondContact O-N 3.36Å; L226-L229 PolarHBondContact O-N 3.49Å; L229-V232 PolarHBondContact O-N 3.45Å; L229-E233 PolarHBondContact O-N 3.42Å; L229-E233 VanDerWaalsContact O-N 3.1Å
230E94.7Very high92.1Very high93 Ų9366.5 Ų66.544%0.43530%0.3SS..Hα-helixtrans-60.7-50.2173.3-172.1175.7-165.800111.3W206 L226 K227 Y228 V232 E233 K234W206-E230 HydrophobicContact CH2-CB 3.77Å; W206-E230 HydrophobicContact CZ2-CB 3.45Å; W206-E230 VanDerWaalsContact CZ2-CB 3.45Å; W206-E230 HydrophobicContact CZ2-CG 3.8Å; L226-E230 WeakPolarHBondContact O-CB 3.26Å; L226-E230 PolarHBondContact O-N 3.49Å; K227-E230 WeakPolarHBondContact O-CB 3.35Å; K227-E230 PolarHBondContact O-N 2.63Å; Y228-E230 VanDerWaalsContact C-N 3.29Å; Y228-E230 PolarHBondContact O-N 3.29Å; E230-V232 VanDerWaalsContact C-N 3.29Å; E230-V232 PolarHBondContact O-N 3.27Å; E230-E233 CarbonylContact O-C 3.55Å; E230-E233 WeakPolarHBondContact O-CA 3.47Å; E230-E233 PolarHBondContact O-N 3.11Å; E230-K234 WeakPolarHBondContact O-CB 3.49Å; E230-K234 PolarHBondContact O-N 3.4Å
231A95Very high92.3Very high4 Ų466.7 Ų66.73%0.03329%0.294CS..Hα-helixtrans-57.3-42.2177.700000112.3K227 Y228 E233 K234 V235 L247 H251K227-A231 WeakPolarHBondContact O-CB 3.07Å; K227-A231 PolarHBondContact O-N 3.18Å; Y228-A231 PolarHBondContact O-N 3.42Å; A231-E233 VanDerWaalsContact C-N 3.28Å; A231-E233 PolarHBondContact O-N 3.35Å; A231-K234 PolarHBondContact O-N 2.96Å; A231-V235 PolarHBondContact O-N 2.95Å; A231-L247 HydrophobicContact CB-CD2 4.06Å; A231-H251 HydrophobicContact CB-CB 4.33Å; A231-H251 WeakPolarHBondContact CB-CD2 3.03Å; A231-H251 WeakPolarHBondContact CB-NE2 3.39Å
232V94.4Very high92.7Very high0 Ų065.5 Ų65.50%029%0.292CS..Hα-helixtrans-64.1-30.9175.4169.10000112.3T169 Y228 L229 E230 V235 K236 L253T169-V232 HydrophobicContact CG2-CB 4.37Å; T169-V232 HydrophobicContact CG2-CG1 3.79Å; T169-V232 HydrophobicContact CG2-CG2 4.21Å; Y228-V232 HydrophobicContact CD1-CG2 4.43Å; Y228-V232 HydrophobicContact CE1-CG2 3.87Å; Y228-V232 HydrophobicContact CE2-CG2 4.13Å; Y228-V232 WeakPolarHBondContact O-CG2 3.37Å; Y228-V232 PolarHBondContact O-N 3.24Å; L229-V232 PolarHBondContact O-N 3.45Å; E230-V232 VanDerWaalsContact C-N 3.29Å; E230-V232 PolarHBondContact O-N 3.27Å; V232-V235 WeakPolarHBondContact O-CG1 3.46Å; V232-K236 WeakPolarHBondContact O-CD 3.4Å; V232-K236 WeakPolarHBondContact O-CE 3.49Å; V232-K236 WeakPolarHBondContact O-CG 3.13Å; V232-L253 HydrophobicContact CG2-CD2 3.78Å
233E94.6Very high93.1Very high32 Ų3267.5 Ų67.515%0.1530%0.301CS..Hα-helixtrans-80.6-37.3173.7-70.7-58.4127.700112.4Y201 W206 L229 E230 A231 K236Y201-E233 HydrophobicContact CE2-CG 4.22Å; Y201-E233 PolarHBondContact OH-OE1 3.5Å; W206-E233 HydrophobicContact CB-CG 3.72Å; W206-E233 HydrophobicContact CD2-CG 4.31Å; W206-E233 HydrophobicContact CG-CB 4.36Å; W206-E233 HydrophobicContact CG-CG 3.74Å; L229-E233 PolarHBondContact O-N 3.42Å; L229-E233 VanDerWaalsContact O-N 3.1Å; E230-E233 CarbonylContact O-C 3.55Å; E230-E233 WeakPolarHBondContact O-CA 3.47Å; E230-E233 PolarHBondContact O-N 3.11Å; A231-E233 VanDerWaalsContact C-N 3.28Å; A231-E233 PolarHBondContact O-N 3.35Å; E233-K236 PolarHBondContact O-N 3.29Å; E233-K236 IonicContact OE1-NZ 2.69Å; E233-K236 PolarHBondContact OE1-NZ 3.04Å
234K94.3Very high93.3Very high101 Ų10163.2 Ų63.244%0.43928%0.281SS..Hα-helixtrans-60.4-46.7177.4-158.3-173.4-161.8-148.20111E230 A231 K236 R237 T238 E243 L247E230-K234 WeakPolarHBondContact O-CB 3.49Å; E230-K234 PolarHBondContact O-N 3.4Å; A231-K234 PolarHBondContact O-N 2.96Å; K234-K236 PolarHBondContact O-N 2.97Å; K234-K236 VanDerWaalsContact O-N 3.08Å; K234-R237 PolarHBondContact O-N 3.18Å; K234-T238 PolarHBondContact O-N 3.46Å; K234-E243 WeakPolarHBondContact CD-OE1 3.28Å; K234-E243 WeakPolarHBondContact CE-OE1 3.36Å; K234-E243 IonicContact NZ-OE1 2.67Å; K234-E243 PolarHBondContact NZ-OE1 3.31Å; K234-L247 HydrophobicContact CB-CD1 4.24Å; K234-L247 HydrophobicContact CD-CD1 4.23Å; K234-L247 HydrophobicContact CD-CD2 4.21Å; K234-L247 HydrophobicContact CG-CD1 4.36Å
235V94.1Very high93.5Very high0 Ų058 Ų580%026%0.26CS..THydrogen-bonded Turntrans-62.9-18.617984.90000113.3A231 V232 V244 L247 L253 L258 H262A231-V235 PolarHBondContact O-N 2.95Å; V232-V235 WeakPolarHBondContact O-CG1 3.46Å; V235-V244 HydrophobicContact CG2-CG1 4.13Å; V235-V244 HydrophobicContact CG2-CG2 4.14Å; V235-L247 HydrophobicContact CB-CD1 3.89Å; V235-L247 HydrophobicContact CG2-CD1 4.12Å; V235-L253 HydrophobicContact CB-CD1 4.07Å; V235-L253 HydrophobicContact CG1-CD1 4.07Å; V235-L253 HydrophobicContact CG2-CD1 4.16Å; V235-L258 HydrophobicContact CG1-CD2 4.49Å; V235-L258 HydrophobicContact CG2-CD2 3.48Å; V235-L258 VanDerWaalsContact CG2-CD2 3.48Å; V235-H262 PolarHBondContact O-CE1 3.46Å
236K90.5Very high93.6Very high41 Ų4163.1 Ų63.118%0.17828%0.283CS..THydrogen-bonded Turntrans-89.7-11176.6-64.1169.5-162.2159.20113.1Y201 V232 E233 K234 L259Y201-K236 PolarHBondContact OH-NZ 2.91Å; V232-K236 WeakPolarHBondContact O-CD 3.4Å; V232-K236 WeakPolarHBondContact O-CE 3.49Å; V232-K236 WeakPolarHBondContact O-CG 3.13Å; E233-K236 PolarHBondContact O-N 3.29Å; E233-K236 IonicContact OE1-NZ 2.69Å; E233-K236 PolarHBondContact OE1-NZ 3.04Å; K234-K236 PolarHBondContact O-N 2.97Å; K234-K236 VanDerWaalsContact O-N 3.08Å; K236-L259 HydrophobicContact CB-CD2 4.46Å
237R91.6Very high93.7Very high159 Ų15962.4 Ų62.460%0.628%0.28SS*.THydrogen-bonded Turntrans-107.5-36-176.7-65.9178.4-172.21805.5111.9K234K234-R237 PolarHBondContact O-N 3.18Å
238T92.4Very high93.7Very high18 Ų1857 Ų5711%0.1126%0.256CS..  trans-68.8150.6177.1-169.20000111.5K234 D240 E243 V244 H262K234-T238 PolarHBondContact O-N 3.46Å; T238-D240 PolarHBondContact OG1-N 3.11Å; T238-D240 VanDerWaalsContact OG1-N 3.14Å; T238-E243 WeakPolarHBondContact CB-OE2 3.49Å; T238-E243 HydrophobicContact CG2-CG 4.38Å; T238-E243 PolarHBondContact OG1-OE2 3.04Å; T238-V244 HydrophobicContact CG2-CG2 3.64Å; T238-H262 PolarHBondContact O-CE1 3.31Å; T238-H262 PolarHBondContact O-NE2 3.48Å
239R90.4Very high93.6Very high230 Ų23062.8 Ų62.887%0.86828%0.283SS*.  trans-117.1-2.7169-62.4-177.6-179.3176.50.8111.5
240D93.1Very high93.6Very high83 Ų8368.3 Ų68.344%0.44431%0.309SS..  trans-77.6126.1-179.8177.222.9000109.9T238 L242 E243 V244T238-D240 PolarHBondContact OG1-N 3.11Å; T238-D240 VanDerWaalsContact OG1-N 3.14Å; D240-L242 PolarHBondContact OD1-N 3.11Å; D240-E243 HydrophobicContact CB-CB 4.05Å; D240-E243 PolarHBondContact OD2-N 2.99Å; D240-V244 VanDerWaalsContact O-CG2 3.26Å; D240-V244 WeakPolarHBondContact O-CG2 3.36Å; D240-V244 PolarHBondContact O-N 3.47Å; D240-V244 VanDerWaalsContact O-N 3.17Å
241E92.2Very high93.4Very high98 Ų9865.8 Ų65.846%0.45830%0.297SS..Hα-helixtrans-68.8-37.9-177.3-60.8-167-174.600111.8V244 I245 S265E241-V244 PolarHBondContact O-N 3.14Å; E241-I245 WeakPolarHBondContact O-CD1 3.42Å; E241-I245 VanDerWaalsContact O-CG1 3.29Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å; E241-I245 PolarHBondContact O-N 2.83Å; E241-S265 WeakPolarHBondContact OE2-CB 3.11Å; E241-S265 PolarHBondContact OE2-OG 3.24Å
242L93.9Very high93.3Very high130 Ų13073.8 Ų73.868%0.68133%0.327SS*.Hα-helixtrans-67.4-42.6-179.3-65.6177.5000111.3D240 V244 I245 H246D240-L242 PolarHBondContact OD1-N 3.11Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.29Å; L242-I245 PolarHBondContact O-N 3.02Å; L242-H246 PolarHBondContact O-N 3.37Å
243E94.4Very high93.2Very high51 Ų5174 Ų7424%0.23833%0.328CS..Hα-helixtrans-61.8-40.7173.8-173.6175-157.900112K234 T238 D240 H246 L247K234-E243 WeakPolarHBondContact CD-OE1 3.28Å; K234-E243 WeakPolarHBondContact CE-OE1 3.36Å; K234-E243 IonicContact NZ-OE1 2.67Å; K234-E243 PolarHBondContact NZ-OE1 3.31Å; T238-E243 WeakPolarHBondContact CB-OE2 3.49Å; T238-E243 HydrophobicContact CG2-CG 4.38Å; T238-E243 PolarHBondContact OG1-OE2 3.04Å; D240-E243 HydrophobicContact CB-CB 4.05Å; D240-E243 PolarHBondContact OD2-N 2.99Å; E243-H246 PolarHBondContact O-N 3.05Å; E243-L247 HydrophobicContact CG-CD1 4.2Å; E243-L247 VanDerWaalsContact O-CG 3.26Å; E243-L247 WeakPolarHBondContact O-CG 3.16Å; E243-L247 PolarHBondContact O-N 2.8Å
244V93.9Very high93.1Very high0 Ų074.1 Ų74.10%033%0.331CS..Hα-helixtrans-62.9-42.8176.3171.90000111.3V235 T238 D240 E241 L242 L247 I248 L258 V268V235-V244 HydrophobicContact CG2-CG1 4.13Å; V235-V244 HydrophobicContact CG2-CG2 4.14Å; T238-V244 HydrophobicContact CG2-CG2 3.64Å; D240-V244 VanDerWaalsContact O-CG2 3.26Å; D240-V244 WeakPolarHBondContact O-CG2 3.36Å; D240-V244 PolarHBondContact O-N 3.47Å; D240-V244 VanDerWaalsContact O-N 3.17Å; E241-V244 PolarHBondContact O-N 3.14Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.29Å; V244-L247 PolarHBondContact O-N 3.03Å; V244-I248 HydrophobicContact CG1-CD1 3.82Å; V244-I248 HydrophobicContact CG1-CG1 4.5Å; V244-I248 WeakPolarHBondContact O-CD1 3.5Å; V244-I248 VanDerWaalsContact O-CG1 3.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.37Å; V244-I248 PolarHBondContact O-N 3.24Å; V244-L258 HydrophobicContact CG1-CD2 3.99Å; V244-V268 HydrophobicContact CG1-CG1 4.15Å; V244-V268 HydrophobicContact CG1-CG2 4.02Å
245I94.4Very high93Very high30 Ų3072.8 Ų72.815%0.15432%0.323CS..Hα-helixtrans-61.3-48.5177.5-69.6162.6000110.4E241 L242 L247 I248 E249 E267 V268 A271E241-I245 WeakPolarHBondContact O-CD1 3.42Å; E241-I245 VanDerWaalsContact O-CG1 3.29Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å; E241-I245 PolarHBondContact O-N 2.83Å; L242-I245 PolarHBondContact O-N 3.02Å; I245-L247 VanDerWaalsContact C-N 3.33Å; I245-L247 PolarHBondContact O-N 3.1Å; I245-I248 WeakPolarHBondContact O-CB 3.3Å; I245-I248 PolarHBondContact O-N 3.42Å; I245-E249 WeakPolarHBondContact O-CG 3.25Å; I245-E249 PolarHBondContact O-N 2.92Å; I245-E267 HydrophobicContact CD1-CB 3.78Å; I245-V268 HydrophobicContact CG1-CG2 4.43Å; I245-A271 HydrophobicContact CB-CB 4.43Å; I245-A271 HydrophobicContact CG1-CB 4.19Å; I245-A271 HydrophobicContact CG2-CB 3.96Å
246H95.3Very high92.9Very high109 Ų10975.3 Ų75.351%0.50534%0.335SS..Hα-helixtrans-58.6-43.6178.1-176.960.5000112.3L242 E243 I248 E249 E250L242-H246 PolarHBondContact O-N 3.37Å; E243-H246 PolarHBondContact O-N 3.05Å; H246-I248 VanDerWaalsContact C-N 3.31Å; H246-I248 PolarHBondContact O-N 2.87Å; H246-E249 PolarHBondContact O-N 3.42Å; H246-E250 IonicContact NE2-OE2 3.49Å; H246-E250 PolarHBondContact NE2-OE2 3.46Å; H246-E250 WeakPolarHBondContact O-CB 3.43Å; H246-E250 PolarHBondContact O-N 3.37Å
247L94.6Very high93Very high7 Ų773.7 Ų73.74%0.03733%0.328CS..Hα-helixtrans-64.6-33.7176.6-70.2170.8000112.7A231 K234 V235 E243 V244 I245 H251 L253A231-L247 HydrophobicContact CB-CD2 4.06Å; K234-L247 HydrophobicContact CB-CD1 4.24Å; K234-L247 HydrophobicContact CD-CD1 4.23Å; K234-L247 HydrophobicContact CD-CD2 4.21Å; K234-L247 HydrophobicContact CG-CD1 4.36Å; V235-L247 HydrophobicContact CB-CD1 3.89Å; V235-L247 HydrophobicContact CG2-CD1 4.12Å; E243-L247 HydrophobicContact CG-CD1 4.2Å; E243-L247 VanDerWaalsContact O-CG 3.26Å; E243-L247 WeakPolarHBondContact O-CG 3.16Å; E243-L247 PolarHBondContact O-N 2.8Å; V244-L247 PolarHBondContact O-N 3.03Å; I245-L247 VanDerWaalsContact C-N 3.33Å; I245-L247 PolarHBondContact O-N 3.1Å; L247-H251 PolarHBondContact O-N 3.39Å; L247-L253 HydrophobicContact CB-CD1 4Å; L247-L253 WeakPolarHBondContact O-CG 3.27Å
248I94.2Very high93.1Very high8 Ų866.9 Ų66.94%0.04130%0.303CS..Hα-helixtrans-65.8-46.3174.5-70.5161.2000110.3V244 I245 H246 R252 L253 L258 V268 A271 L272V244-I248 HydrophobicContact CG1-CD1 3.82Å; V244-I248 HydrophobicContact CG1-CG1 4.5Å; V244-I248 WeakPolarHBondContact O-CD1 3.5Å; V244-I248 VanDerWaalsContact O-CG1 3.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.37Å; V244-I248 PolarHBondContact O-N 3.24Å; I245-I248 WeakPolarHBondContact O-CB 3.3Å; I245-I248 PolarHBondContact O-N 3.42Å; H246-I248 VanDerWaalsContact C-N 3.31Å; H246-I248 PolarHBondContact O-N 2.87Å; I248-R252 WeakPolarHBondContact O-CA 3.49Å; I248-R252 PolarHBondContact O-N 3.02Å; I248-L253 HydrophobicContact CG1-CB 4.24Å; I248-L253 PolarHBondContact O-N 2.88Å; I248-L258 HydrophobicContact CD1-CD1 3.88Å; I248-L258 HydrophobicContact CD1-CD2 4.27Å; I248-L258 HydrophobicContact CG1-CD2 4.28Å; I248-V268 HydrophobicContact CD1-CG1 3.94Å; I248-A271 HydrophobicContact CD1-CB 4.36Å; I248-A271 HydrophobicContact CG2-CB 4.14Å; I248-L272 HydrophobicContact CD1-CD2 4.16Å; I248-L272 HydrophobicContact CD1-CG 4.2Å; I248-L272 HydrophobicContact CG1-CD2 4.36Å; I248-L272 HydrophobicContact CG2-CD2 4.11Å
249E93.3Very high93.1Very high124 Ų12469.1 Ų69.158%0.57931%0.314SS*.Hα-helixtrans-68.2-46.1-177.4-68.9174.3170.200112.2I245 H246I245-E249 WeakPolarHBondContact O-CG 3.25Å; I245-E249 PolarHBondContact O-N 2.92Å; H246-E249 PolarHBondContact O-N 3.42Å
250E93.5Very high93Very high116 Ų11663.6 Ų63.654%0.54231%0.306SS..Hα-helixtrans-70-46.7-177-173.7-179.1176.600112.2H246H246-E250 IonicContact NE2-OE2 3.49Å; H246-E250 PolarHBondContact NE2-OE2 3.46Å; H246-E250 WeakPolarHBondContact O-CB 3.43Å; H246-E250 PolarHBondContact O-N 3.37Å
251H92.1Very high92.8Very high40 Ų4064.5 Ų64.519%0.18531%0.311CS..Hα-helixtrans-104.84.6-171.7-60.5-69.5000114Y228 A231 L247 L253Y228-H251 HydrophobicContact CD2-CB 4.39Å; A231-H251 HydrophobicContact CB-CB 4.33Å; A231-H251 WeakPolarHBondContact CB-CD2 3.03Å; A231-H251 WeakPolarHBondContact CB-NE2 3.39Å; L247-H251 PolarHBondContact O-N 3.39Å; H251-L253 VanDerWaalsContact C-N 3.26Å; H251-L253 HydrophobicContact CB-CD2 4.07Å; H251-L253 HydrophobicContact CB-CG 4.1Å; H251-L253 PolarHBondContact O-N 2.92Å
252R91.8Very high92.8Very high172 Ų17260.7 Ų60.765%0.64929%0.293SS*.THydrogen-bonded Turntrans52.744-178.1-56.5-174.5-177.8-155.20.3112.3I248 E275I248-R252 WeakPolarHBondContact O-CA 3.49Å; I248-R252 PolarHBondContact O-N 3.02Å; R252-E275 IonicContact NH1-OE2 3.64Å
253L93.4Very high92.6Very high5 Ų555.4 Ų55.43%0.02627%0.265CS..  trans-67138.7-179.8-59.4-179.1000110.4Y228 V232 V235 L247 I248 H251 H257 L272Y228-L253 HydrophobicContact CE2-CD2 3.92Å; V232-L253 HydrophobicContact CG2-CD2 3.78Å; V235-L253 HydrophobicContact CB-CD1 4.07Å; V235-L253 HydrophobicContact CG1-CD1 4.07Å; V235-L253 HydrophobicContact CG2-CD1 4.16Å; L247-L253 HydrophobicContact CB-CD1 4Å; L247-L253 WeakPolarHBondContact O-CG 3.27Å; I248-L253 HydrophobicContact CG1-CB 4.24Å; I248-L253 PolarHBondContact O-N 2.88Å; H251-L253 VanDerWaalsContact C-N 3.26Å; H251-L253 HydrophobicContact CB-CD2 4.07Å; H251-L253 HydrophobicContact CB-CG 4.1Å; H251-L253 PolarHBondContact O-N 2.92Å; L253-H257 HydrophobicContact CB-CB 4.35Å; L253-L272 WeakPolarHBondContact O-CD2 3.16Å
254V92.4Very high92.4Very high35 Ų3560.5 Ų60.521%0.21229%0.287CS..  trans-99.2169.4178.3-62.40000111.7K170 E256 H257K170-V254 HydrophobicContact CD-CG2 3.85Å; K170-V254 HydrophobicContact CG-CG2 3.92Å; V254-E256 HydrophobicContact CG2-CB 4.39Å; V254-E256 VanDerWaalsContact CG2-OE2 3.3Å; V254-E256 WeakPolarHBondContact CG2-OE2 3.32Å; V254-E256 PolarHBondContact O-N 3.43Å; V254-H257 PolarHBondContact N-ND1 2.87Å; V254-H257 WeakPolarHBondContact O-CB 3.49Å; V254-H257 PolarHBondContact O-N 2.61Å
255R91.8Very high92.3Very high73 Ų7361 Ų6128%0.27529%0.291SS..G310 helixtrans-46.7-40.4178.5-163.1-170.384.6147.111.3113.8H257 L258 L263 W269 L272 N284R255-H257 PolarHBondContact O-N 3.05Å; R255-L258 PolarHBondContact O-N 2.71Å; R255-L263 HydrophobicContact CG-CD1 3.97Å; R255-L263 HydrophobicContact CG-CD2 3.62Å; R255-L263 HydrophobicContact CG-CG 4.48Å; R255-W269 VanDerWaalsContact CD-CH2 3.49Å; R255-W269 HydrophobicContact CG-CH2 4.18Å; R255-W269 HydrophobicContact CG-CZ2 4.48Å; R255-L272 HydrophobicContact CB-CD1 4.36Å; R255-L272 HydrophobicContact CG-CD1 4.45Å; R255-N284 PolarHBondContact NH1-OD1 3.37Å
256E91.6Very high92.2Very high52 Ų5262.4 Ų62.424%0.24330%0.295CS..G310 helixtrans-68.1-16.9-178.3-6779.5-17300114.6K170 V254 R283K170-E256 WeakPolarHBondContact CE-OE2 3.2Å; K170-E256 HydrophobicContact CG-CB 3.89Å; K170-E256 HydrophobicContact CG-CG 4.08Å; K170-E256 WeakPolarHBondContact O-CB 3.18Å; V254-E256 HydrophobicContact CG2-CB 4.39Å; V254-E256 VanDerWaalsContact CG2-OE2 3.3Å; V254-E256 WeakPolarHBondContact CG2-OE2 3.32Å; V254-E256 PolarHBondContact O-N 3.43Å; E256-R283 IonicContact OE1-NH2 3.75Å
257H93.2Very high92Very high7 Ų761.2 Ų61.23%0.03229%0.29CS..G310 helixtrans-81.8-22176.2-60.2142.4000113T169 K170 Y228 L253 V254 R255T169-H257 PolarHBondContact O-CD2 3.4Å; T169-H257 PolarHBondContact OG1-NE2 3.12Å; K170-H257 PolarHBondContact N-NE2 2.74Å; Y228-H257 PolarHBondContact OH-CE1 3.35Å; Y228-H257 PolarHBondContact OH-NE2 2.8Å; L253-H257 HydrophobicContact CB-CB 4.35Å; V254-H257 PolarHBondContact N-ND1 2.87Å; V254-H257 WeakPolarHBondContact O-CB 3.49Å; V254-H257 PolarHBondContact O-N 2.61Å; R255-H257 PolarHBondContact O-N 3.05Å
258L92.9Very high92Very high16 Ų1660.9 Ų60.98%0.08429%0.288CS..SBendtrans-86.5155.8-172.2-54.6-175.2000112.6V235 V244 I248 R255 H262 L263 V268 L272V235-L258 HydrophobicContact CG1-CD2 4.49Å; V235-L258 HydrophobicContact CG2-CD2 3.48Å; V235-L258 VanDerWaalsContact CG2-CD2 3.48Å; V244-L258 HydrophobicContact CG1-CD2 3.99Å; I248-L258 HydrophobicContact CD1-CD1 3.88Å; I248-L258 HydrophobicContact CD1-CD2 4.27Å; I248-L258 HydrophobicContact CG1-CD2 4.28Å; R255-L258 PolarHBondContact O-N 2.71Å; L258-H262 HydrophobicContact CB-CB 4.2Å; L258-L263 HydrophobicContact CB-CD2 4.2Å; L258-L263 HydrophobicContact CD1-CD2 4Å; L258-V268 HydrophobicContact CD1-CG1 3.54Å; L258-L272 HydrophobicContact CD1-CD1 3.83Å; L258-L272 HydrophobicContact CD1-CD2 4.18Å; L258-L272 HydrophobicContact CD1-CG 4.25Å
259L92Very high92Very high65 Ų6560.5 Ų60.534%0.3429%0.287SS..  trans-72.9154.6170.8-60.8-178.5000111.1K236 N261 H262 L263K236-L259 HydrophobicContact CB-CD2 4.46Å; L259-N261 PolarHBondContact O-N 3.36Å; L259-N261 VanDerWaalsContact O-N 3.17Å; L259-H262 PolarHBondContact O-N 3.17Å; L259-L263 PolarHBondContact O-N 3.38Å
260T88.9Confident91.9Very high115 Ų11556.7 Ų56.771%0.70627%0.268SS*.THydrogen-bonded Turntrans-57.8-30.8176.549.20000113L263T260-L263 PolarHBondContact O-N 3.48Å
261N90.2Very high91.9Very high102 Ų10251.7 Ų51.755%0.54525%0.246SC..THydrogen-bonded Turntrans-69.4-39.6175.5-73.2-18.9000112.5L259 L263 K264L259-N261 PolarHBondContact O-N 3.36Å; L259-N261 VanDerWaalsContact O-N 3.17Å; N261-L263 PolarHBondContact O-N 2.66Å; N261-K264 WeakPolarHBondContact O-CB 3.27Å; N261-K264 PolarHBondContact O-N 2.93Å
262H91.7Very high92Very high17 Ų1750.2 Ų50.28%0.07924%0.24CC..G310 helixtrans-62.5-33.3177-55.6160.5000111V235 T238 L258 L259 K264 S265 V268V235-H262 PolarHBondContact O-CE1 3.46Å; T238-H262 PolarHBondContact O-CE1 3.31Å; T238-H262 PolarHBondContact O-NE2 3.48Å; L258-H262 HydrophobicContact CB-CB 4.2Å; L259-H262 PolarHBondContact O-N 3.17Å; H262-K264 PolarHBondContact O-N 3.07Å; H262-K264 VanDerWaalsContact O-N 3.1Å; H262-S265 PolarHBondContact O-N 3.42Å; H262-S265 VanDerWaalsContact O-N 3.11Å; H262-V268 HydrophobicContact CB-CG1 4.4Å
263L90Very high92Very high19 Ų1942 Ų4210%0.09921%0.209CC..G310 helixtrans-72.12.4177.3-57.7-179.8000114.5R255 L258 L259 T260 N261 W269 L272 N291R255-L263 HydrophobicContact CG-CD1 3.97Å; R255-L263 HydrophobicContact CG-CD2 3.62Å; R255-L263 HydrophobicContact CG-CG 4.48Å; L258-L263 HydrophobicContact CB-CD2 4.2Å; L258-L263 HydrophobicContact CD1-CD2 4Å; L259-L263 PolarHBondContact O-N 3.38Å; T260-L263 PolarHBondContact O-N 3.48Å; N261-L263 PolarHBondContact O-N 2.66Å; L263-W269 HydrophobicContact CD2-CZ2 4.21Å; L263-W269 PolarHBondContact O-NE1 2.84Å; L263-L272 HydrophobicContact CD2-CD1 4.21Å; L263-N291 PolarHBondContact O-ND2 3.02Å
264K88.9Confident91.9Very high159 Ų15946.7 Ų46.769%0.69123%0.23SC*.G310 helixtrans-90.8-22.5169.1-61.8178.4179172.80112.5N261 H262N261-K264 WeakPolarHBondContact O-CB 3.27Å; N261-K264 PolarHBondContact O-N 2.93Å; H262-K264 PolarHBondContact O-N 3.07Å; H262-K264 VanDerWaalsContact O-N 3.1Å
265S91.9Very high91.7Very high11 Ų1151 Ų518%0.07725%0.249CC..  trans-76.7133.2179.6170.60000111E241 H262 E267 W269E241-S265 WeakPolarHBondContact OE2-CB 3.11Å; E241-S265 PolarHBondContact OE2-OG 3.24Å; H262-S265 PolarHBondContact O-N 3.42Å; H262-S265 VanDerWaalsContact O-N 3.11Å; S265-E267 PolarHBondContact OG-N 3.44Å; S265-W269 VanDerWaalsContact O-CD1 3.31Å; S265-W269 PolarHBondContact O-N 2.97Å
266K92.3Very high91.7Very high58 Ų5848.5 Ų48.525%0.25224%0.24SC..Hα-helixtrans-65.2-42.8175.6178.3175.41751650111.1V268 W269 K270 S292 V293 E295K266-V268 PolarHBondContact O-N 2.64Å; K266-W269 PolarHBondContact O-N 3.41Å; K266-W269 VanDerWaalsContact O-N 3.15Å; K266-K270 PolarHBondContact O-N 3.19Å; K266-S292 VanDerWaalsContact CD-O 3.3Å; K266-S292 WeakPolarHBondContact CD-O 3.1Å; K266-S292 WeakPolarHBondContact CE-O 3.03Å; K266-S292 PolarHBondContact NZ-O 2.92Å; K266-V293 HydrophobicContact CG-CG2 4.18Å; K266-E295 IonicContact NZ-OE1 2.68Å; K266-E295 IonicContact NZ-OE2 3.38Å; K266-E295 PolarHBondContact NZ-OE2 3.23Å
267E92.4Very high91.7Very high84 Ų8449.2 Ų49.239%0.39325%0.249SC..Hα-helixtrans-67.3-37.9-176.4-58.2-52.3128.100111.8I245 S265 W269 K270 A271I245-E267 HydrophobicContact CD1-CB 3.78Å; S265-E267 PolarHBondContact OG-N 3.44Å; E267-W269 VanDerWaalsContact C-N 3.3Å; E267-W269 PolarHBondContact O-N 3.31Å; E267-K270 WeakPolarHBondContact O-CB 3.42Å; E267-K270 PolarHBondContact O-N 2.97Å; E267-K270 IonicContact OE1-NZ 3.21Å; E267-K270 PolarHBondContact OE1-NZ 3.4Å; E267-K270 WeakPolarHBondContact OE2-CD 3.28Å; E267-K270 IonicContact OE2-NZ 3.89Å; E267-K270 PolarHBondContact OE2-NZ 2.96Å; E267-A271 PolarHBondContact O-N 2.86Å
268V93.4Very high91.5Very high1 Ų149.7 Ų49.71%0.00625%0.252CS..Hα-helixtrans-60.5-39.9172.7173.70000111.6V244 I245 I248 L258 H262 K266 A271 L272V244-V268 HydrophobicContact CG1-CG1 4.15Å; V244-V268 HydrophobicContact CG1-CG2 4.02Å; I245-V268 HydrophobicContact CG1-CG2 4.43Å; I248-V268 HydrophobicContact CD1-CG1 3.94Å; L258-V268 HydrophobicContact CD1-CG1 3.54Å; H262-V268 HydrophobicContact CB-CG1 4.4Å; K266-V268 PolarHBondContact O-N 2.64Å; V268-A271 PolarHBondContact O-N 3.33Å; V268-L272 HydrophobicContact CG1-CD1 4.5Å; V268-L272 WeakPolarHBondContact O-CG 3.32Å; V268-L272 PolarHBondContact O-N 2.9Å
269W93.6Very high91.3Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-69.4-34.6176.5-86.5101.9000113.1R255 L263 S265 K266 E267 L272 L273 M276 N284 K287 M288 N291 V293R255-W269 VanDerWaalsContact CD-CH2 3.49Å; R255-W269 HydrophobicContact CG-CH2 4.18Å; R255-W269 HydrophobicContact CG-CZ2 4.48Å; L263-W269 HydrophobicContact CD2-CZ2 4.21Å; L263-W269 PolarHBondContact O-NE1 2.84Å; S265-W269 VanDerWaalsContact O-CD1 3.31Å; S265-W269 PolarHBondContact O-N 2.97Å; K266-W269 PolarHBondContact O-N 3.41Å; K266-W269 VanDerWaalsContact O-N 3.15Å; E267-W269 VanDerWaalsContact C-N 3.3Å; E267-W269 PolarHBondContact O-N 3.31Å; W269-L272 HydrophobicContact CD2-CD1 4.49Å; W269-L272 HydrophobicContact CE3-CD1 4.33Å; W269-L272 PolarHBondContact O-N 3.4Å; W269-L273 WeakPolarHBondContact O-CB 3.32Å; W269-L273 PolarHBondContact O-N 3.19Å; W269-M276 HydrophobicContact CE3-CE 4.21Å; W269-M276 HydrophobicContact CZ3-CE 3.99Å; W269-N284 HydrophobicContact CH2-CB 4.36Å; W269-N284 HydrophobicContact CZ3-CB 4.19Å; W269-K287 HydrophobicContact CH2-CD 3.97Å; W269-K287 HydrophobicContact CH2-CG 4.34Å; W269-K287 HydrophobicContact CZ2-CD 3.67Å; W269-K287 HydrophobicContact CZ2-CG 4.08Å; W269-M288 HydrophobicContact CD2-CG 4.19Å; W269-M288 HydrophobicContact CE3-CG 3.49Å; W269-M288 VanDerWaalsContact CE3-CG 3.49Å; W269-M288 HydrophobicContact CE3-SD 3.81Å; W269-M288 HydrophobicContact CZ3-CG 3.68Å; W269-M288 HydrophobicContact CZ3-SD 4Å; W269-N291 PolarHBondContact NE1-ND2 3.17Å; W269-N291 VanDerWaalsContact NE1-ND2 3.18Å; W269-V293 HydrophobicContact CB-CB 4.36Å; W269-V293 HydrophobicContact CB-CG1 4.1Å; W269-V293 HydrophobicContact CB-CG2 3.39Å; W269-V293 HydrophobicContact CG-CG2 3.96Å
270K92.6Very high91.2Very high44 Ų4451 Ų5119%0.19127%0.266CS..Hα-helixtrans-62.7-44.2173.2-69.4176.6178.7169.80111.5K266 E267 L272 L273 V293 E300K266-K270 PolarHBondContact O-N 3.19Å; E267-K270 WeakPolarHBondContact O-CB 3.42Å; E267-K270 PolarHBondContact O-N 2.97Å; E267-K270 IonicContact OE1-NZ 3.21Å; E267-K270 PolarHBondContact OE1-NZ 3.4Å; E267-K270 WeakPolarHBondContact OE2-CD 3.28Å; E267-K270 IonicContact OE2-NZ 3.89Å; E267-K270 PolarHBondContact OE2-NZ 2.96Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-L272 PolarHBondContact O-N 3.43Å; K270-L273 WeakPolarHBondContact O-CB 3.43Å; K270-L273 PolarHBondContact O-N 3.38Å; K270-V293 HydrophobicContact CG-CG1 4.15Å; K270-E300 VanDerWaalsContact CD-OE1 3.23Å; K270-E300 WeakPolarHBondContact CD-OE1 3.49Å; K270-E300 WeakPolarHBondContact CE-OE1 3.37Å; K270-E300 HydrophobicContact CG-CG 4.23Å; K270-E300 IonicContact NZ-OE1 3.07Å
271A93.4Very high91.5Very high10 Ų1045.5 Ų45.58%0.08323%0.232CC..Hα-helixtrans-60.4-44.4174.800000111.5I245 I248 E267 V268 L273 Q274I245-A271 HydrophobicContact CB-CB 4.43Å; I245-A271 HydrophobicContact CG1-CB 4.19Å; I245-A271 HydrophobicContact CG2-CB 3.96Å; I248-A271 HydrophobicContact CD1-CB 4.36Å; I248-A271 HydrophobicContact CG2-CB 4.14Å; E267-A271 PolarHBondContact O-N 2.86Å; V268-A271 PolarHBondContact O-N 3.33Å; A271-L273 VanDerWaalsContact C-N 3.29Å; A271-L273 PolarHBondContact O-N 3.34Å; A271-Q274 PolarHBondContact O-N 3.25Å
272L93.6Very high91.5Very high10 Ų1041.4 Ų41.45%0.05221%0.21CC..Hα-helixtrans-62.1-33.6175.8-73.5174.9000113.3I248 L253 R255 L258 L263 V268 W269 K270 Q274 M276I248-L272 HydrophobicContact CD1-CD2 4.16Å; I248-L272 HydrophobicContact CD1-CG 4.2Å; I248-L272 HydrophobicContact CG1-CD2 4.36Å; I248-L272 HydrophobicContact CG2-CD2 4.11Å; L253-L272 WeakPolarHBondContact O-CD2 3.16Å; R255-L272 HydrophobicContact CB-CD1 4.36Å; R255-L272 HydrophobicContact CG-CD1 4.45Å; L258-L272 HydrophobicContact CD1-CD1 3.83Å; L258-L272 HydrophobicContact CD1-CD2 4.18Å; L258-L272 HydrophobicContact CD1-CG 4.25Å; L263-L272 HydrophobicContact CD2-CD1 4.21Å; V268-L272 HydrophobicContact CG1-CD1 4.5Å; V268-L272 WeakPolarHBondContact O-CG 3.32Å; V268-L272 PolarHBondContact O-N 2.9Å; W269-L272 HydrophobicContact CD2-CD1 4.49Å; W269-L272 HydrophobicContact CE3-CD1 4.33Å; W269-L272 PolarHBondContact O-N 3.4Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-L272 PolarHBondContact O-N 3.43Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.22Å; L272-M276 HydrophobicContact CB-CE 4.13Å; L272-M276 WeakPolarHBondContact O-CB 3.31Å; L272-M276 PolarHBondContact O-N 2.9Å
273L92.9Very high91.4Very high0 Ų048.6 Ų48.60%024%0.236CC..Hα-helixtrans-65.8-30.6-175.4-179.860.8000113W269 K270 A271 E275 M276 L281 M288 L294 E300 L303 V304 K307W269-L273 WeakPolarHBondContact O-CB 3.32Å; W269-L273 PolarHBondContact O-N 3.19Å; K270-L273 WeakPolarHBondContact O-CB 3.43Å; K270-L273 PolarHBondContact O-N 3.38Å; A271-L273 VanDerWaalsContact C-N 3.29Å; A271-L273 PolarHBondContact O-N 3.34Å; L273-E275 PolarHBondContact O-N 2.86Å; L273-M276 PolarHBondContact O-N 3.41Å; L273-L281 HydrophobicContact CD1-CD1 3.61Å; L273-M288 HydrophobicContact CD1-CE 4.4Å; L273-M288 HydrophobicContact CD1-SD 4.19Å; L273-L294 HydrophobicContact CD2-CD2 4.37Å; L273-E300 HydrophobicContact CD2-CB 3.88Å; L273-E300 HydrophobicContact CD2-CG 4.06Å; L273-L303 HydrophobicContact CD2-CD2 4.42Å; L273-L303 HydrophobicContact CG-CD2 4.34Å; L273-V304 HydrophobicContact CD1-CG2 3.88Å; L273-V304 HydrophobicContact CD2-CG2 4.17Å; L273-K307 PolarHBondContact O-NZ 2.9Å
274Q90.7Very high91.5Very high102 Ų10248 Ų4848%0.47723%0.234SC..Hα-helixtrans-58.6-51-176-63-56.7-27.100112.1A271 L272 K307A271-Q274 PolarHBondContact O-N 3.25Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.22Å; Q274-K307 PolarHBondContact O-NZ 2.99Å
275E88.8Confident91.7Very high127 Ų12740.6 Ų40.659%0.59320%0.201SC*.THydrogen-bonded Turntrans-104.914.8-178.5-68.2-69.2140.300112.9R252 L273 P277R252-E275 IonicContact NH1-OE2 3.64Å; L273-E275 PolarHBondContact O-N 2.86Å; E275-P277 WeakPolarHBondContact O-CD 3.24Å
276M91.2Very high91.8Very high20 Ų2040.5 Ų40.510%0.09920%0.202CC..  trans-64.7126-177.3-165.6171.6-62.100111.8W269 L272 L273 A280 L281 M288W269-M276 HydrophobicContact CE3-CE 4.21Å; W269-M276 HydrophobicContact CZ3-CE 3.99Å; L272-M276 HydrophobicContact CB-CE 4.13Å; L272-M276 WeakPolarHBondContact O-CB 3.31Å; L272-M276 PolarHBondContact O-N 2.9Å; L273-M276 PolarHBondContact O-N 3.41Å; M276-A280 HydrophobicContact CG-CB 3.89Å; M276-A280 HydrophobicContact SD-CB 4.34Å; M276-L281 HydrophobicContact CG-CB 4.43Å; M276-L281 HydrophobicContact SD-CB 4.25Å; M276-L281 HydrophobicContact SD-CD1 4.32Å; M276-M288 HydrophobicContact CE-SD 3.97Å; M276-M288 HydrophobicContact SD-CE 4.36Å; M276-M288 HydrophobicContact SD-SD 4.37Å
277P90.5Very high91.7Very high66 Ų6640.5 Ų40.543%0.42920%0.202SC..  trans-62.1145.2172.7-23.734.2000112.4E275 T279 A280 L281E275-P277 WeakPolarHBondContact O-CD 3.24Å; P277-T279 VanDerWaalsContact C-N 3.34Å; P277-T279 PolarHBondContact O-N 3.24Å; P277-A280 HydrophobicContact CB-CB 4.45Å; P277-A280 CarbonylContact O-C 3.57Å; P277-A280 WeakPolarHBondContact O-CA 3.41Å; P277-A280 WeakPolarHBondContact O-CB 3.22Å; P277-A280 PolarHBondContact O-N 3.03Å; P277-L281 PolarHBondContact O-N 2.62Å
278L90.3Very high91.7Very high18 Ų1836.5 Ų36.59%0.09418%0.183CC..Hα-helixtrans-56.5-40.4-175.5-74.6179.8000114.2A280 L281 L282 K307 L313 L314 A317 I319L278-A280 VanDerWaalsContact C-N 3.29Å; L278-A280 PolarHBondContact O-N 2.88Å; L278-L281 HydrophobicContact CD2-CD2 4Å; L278-L281 WeakPolarHBondContact O-CB 3.41Å; L278-L281 PolarHBondContact O-N 3.07Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.38Å; L278-K307 HydrophobicContact CD2-CB 4.11Å; L278-L313 HydrophobicContact CD1-CB 3.86Å; L278-L314 HydrophobicContact CD1-CD2 4.31Å; L278-A317 HydrophobicContact CB-CB 4.19Å; L278-A317 HydrophobicContact CD1-CB 3.83Å; L278-A317 HydrophobicContact CG-CB 4.45Å; L278-I319 HydrophobicContact CB-CD1 4.13Å; L278-I319 HydrophobicContact CB-CG1 4.25Å; L278-I319 HydrophobicContact CD1-CG1 4.23Å
279T87.9Confident91.7Very high85 Ų8537.3 Ų37.352%0.52119%0.188SC..Hα-helixtrans-64.7-34.4176.252.50000112.3P277 R283 I319P277-T279 VanDerWaalsContact C-N 3.34Å; P277-T279 PolarHBondContact O-N 3.24Å; T279-R283 PolarHBondContact O-N 3.37Å; T279-I319 HydrophobicContact CG2-CD1 3.52Å
280A90.8Very high91.6Very high23 Ų2338.9 Ų38.919%0.1920%0.202CC..Hα-helixtrans-73.6-36.5173.900000111.5M276 P277 L278 R283 N284M276-A280 HydrophobicContact CG-CB 3.89Å; M276-A280 HydrophobicContact SD-CB 4.34Å; P277-A280 HydrophobicContact CB-CB 4.45Å; P277-A280 CarbonylContact O-C 3.57Å; P277-A280 WeakPolarHBondContact O-CA 3.41Å; P277-A280 WeakPolarHBondContact O-CB 3.22Å; P277-A280 PolarHBondContact O-N 3.03Å; L278-A280 VanDerWaalsContact C-N 3.29Å; L278-A280 PolarHBondContact O-N 2.88Å; A280-R283 PolarHBondContact O-N 3.27Å; A280-N284 WeakPolarHBondContact O-CB 3.29Å; A280-N284 PolarHBondContact O-N 3Å; A280-N284 PolarHBondContact O-ND2 2.97Å
281L93.6Very high91.4Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-58.8-57.6174.9-179.263.1000110.7L273 M276 P277 L278 R283 N284 L285 M288 V304 K307 L308L273-L281 HydrophobicContact CD1-CD1 3.61Å; M276-L281 HydrophobicContact CG-CB 4.43Å; M276-L281 HydrophobicContact SD-CB 4.25Å; M276-L281 HydrophobicContact SD-CD1 4.32Å; P277-L281 PolarHBondContact O-N 2.62Å; L278-L281 HydrophobicContact CD2-CD2 4Å; L278-L281 WeakPolarHBondContact O-CB 3.41Å; L278-L281 PolarHBondContact O-N 3.07Å; L281-R283 PolarHBondContact O-N 2.75Å; L281-N284 PolarHBondContact O-N 3.28Å; L281-L285 HydrophobicContact CD1-CD2 4.2Å; L281-L285 HydrophobicContact CG-CD2 4.36Å; L281-L285 WeakPolarHBondContact O-CG 3.24Å; L281-L285 PolarHBondContact O-N 2.95Å; L281-L285 VanDerWaalsContact O-N 3.16Å; L281-M288 HydrophobicContact CD1-CE 3.58Å; L281-V304 HydrophobicContact CD1-CG1 4.42Å; L281-V304 HydrophobicContact CD1-CG2 4Å; L281-V304 HydrophobicContact CD2-CG1 4.46Å; L281-K307 HydrophobicContact CD2-CB 4.23Å; L281-K307 HydrophobicContact CD2-CD 4.39Å; L281-L308 HydrophobicContact CD2-CD2 4.35Å
282L91.8Very high91.3Very high16 Ų1641 Ų418%0.08422%0.218CC..Hα-helixtrans-51.8-42.9179.6-70.9173000112.2L278 N284 L308 I319 H323 A327 L353L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.38Å; L282-N284 PolarHBondContact O-N 3.3Å; L282-L308 HydrophobicContact CD2-CD2 3.58Å; L282-L308 HydrophobicContact CG-CD2 4.42Å; L282-I319 HydrophobicContact CD1-CD1 4.33Å; L282-I319 HydrophobicContact CD1-CG2 4.06Å; L282-H323 HydrophobicContact CD1-CB 4.3Å; L282-A327 HydrophobicContact CB-CB 4.03Å; L282-A327 HydrophobicContact CD2-CB 3.9Å; L282-A327 HydrophobicContact CG-CB 4.47Å; L282-L353 HydrophobicContact CD2-CD2 3.67Å
283R89Confident91.2Very high167 Ų16740.5 Ų40.563%0.6322%0.215SC*.Hα-helixtrans-73.9-22.4-178.9-170.8172.761.2136.80.3114.1E256 T279 A280 L281E256-R283 IonicContact OE1-NH2 3.75Å; T279-R283 PolarHBondContact O-N 3.37Å; A280-R283 PolarHBondContact O-N 3.27Å; L281-R283 PolarHBondContact O-N 2.75Å
284N92.4Very high91.1Very high8 Ų840.7 Ų40.74%0.04322%0.216CC..Hα-helixtrans-107.11.4-175-69.5-67.1000113.9R255 W269 A280 L281 L282 G286 K287 M288R255-N284 PolarHBondContact NH1-OD1 3.37Å; W269-N284 HydrophobicContact CH2-CB 4.36Å; W269-N284 HydrophobicContact CZ3-CB 4.19Å; A280-N284 WeakPolarHBondContact O-CB 3.29Å; A280-N284 PolarHBondContact O-N 3Å; A280-N284 PolarHBondContact O-ND2 2.97Å; L281-N284 PolarHBondContact O-N 3.28Å; L282-N284 PolarHBondContact O-N 3.3Å; N284-G286 PolarHBondContact O-N 3.15Å; N284-K287 PolarHBondContact O-N 3.34Å; N284-M288 HydrophobicContact CB-CE 4.17Å; N284-M288 PolarHBondContact O-N 2.94Å
285L93.8Very high91Very high2 Ų239 Ų391%0.0121%0.208CC..Hα-helixtrans-50.7-51.7179.8-68176.8000112.7L281 K287 M288 T289 L294 V304 Y331 I349 L353L281-L285 HydrophobicContact CD1-CD2 4.2Å; L281-L285 HydrophobicContact CG-CD2 4.36Å; L281-L285 WeakPolarHBondContact O-CG 3.24Å; L281-L285 PolarHBondContact O-N 2.95Å; L281-L285 VanDerWaalsContact O-N 3.16Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.43Å; L285-M288 HydrophobicContact CD2-CE 4.29Å; L285-M288 PolarHBondContact O-N 3.42Å; L285-T289 WeakPolarHBondContact O-CB 3.44Å; L285-T289 PolarHBondContact O-N 2.95Å; L285-T289 PolarHBondContact O-OG1 2.91Å; L285-L294 HydrophobicContact CD2-CD1 4.26Å; L285-V304 HydrophobicContact CD2-CG1 3.81Å; L285-Y331 HydrophobicContact CB-CD2 3.75Å; L285-Y331 HydrophobicContact CB-CE2 3.97Å; L285-Y331 HydrophobicContact CB-CG 4.41Å; L285-I349 HydrophobicContact CD1-CG2 4.07Å; L285-I349 HydrophobicContact CD2-CG2 4.39Å; L285-L353 HydrophobicContact CD1-CD1 3.87Å; L285-L353 HydrophobicContact CD1-CD2 4.2Å; L285-L353 HydrophobicContact CD1-CG 4.43Å
286G92.1Very high90.7Very high9 Ų937.7 Ų37.79%0.09321%0.21CC..Hα-helixtrans-60.7-36.7178.300000113N284 A290N284-G286 PolarHBondContact O-N 3.15Å; G286-A290 VanDerWaalsContact O-CB 3.32Å; G286-A290 WeakPolarHBondContact O-CB 3.21Å; G286-A290 PolarHBondContact O-N 3.46Å
287K90.8Very high90.1Very high58 Ų5840 Ų4025%0.25224%0.24SC..Hα-helixtrans-71.2-43.1177.7-177.1167.5-174.5169.80112.7W269 N284 L285 T289 A290 N291 L341W269-K287 HydrophobicContact CH2-CD 3.97Å; W269-K287 HydrophobicContact CH2-CG 4.34Å; W269-K287 HydrophobicContact CZ2-CD 3.67Å; W269-K287 HydrophobicContact CZ2-CG 4.08Å; N284-K287 PolarHBondContact O-N 3.34Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.43Å; K287-T289 VanDerWaalsContact C-N 3.27Å; K287-T289 PolarHBondContact O-N 3.47Å; K287-A290 PolarHBondContact O-N 3.39Å; K287-N291 WeakPolarHBondContact O-CB 3.33Å; K287-N291 PolarHBondContact O-N 2.89Å; K287-L341 HydrophobicContact CB-CD2 4.16Å
288M92.8Very high90Very high0 Ų039 Ų390%023%0.231CC..Hα-helixtrans-67.1-33.7178.1-68.3-176-64.700111.2W269 L273 M276 L281 N284 L285 S292 V293 L294W269-M288 HydrophobicContact CD2-CG 4.19Å; W269-M288 HydrophobicContact CE3-CG 3.49Å; W269-M288 VanDerWaalsContact CE3-CG 3.49Å; W269-M288 HydrophobicContact CE3-SD 3.81Å; W269-M288 HydrophobicContact CZ3-CG 3.68Å; W269-M288 HydrophobicContact CZ3-SD 4Å; L273-M288 HydrophobicContact CD1-CE 4.4Å; L273-M288 HydrophobicContact CD1-SD 4.19Å; M276-M288 HydrophobicContact CE-SD 3.97Å; M276-M288 HydrophobicContact SD-CE 4.36Å; M276-M288 HydrophobicContact SD-SD 4.37Å; L281-M288 HydrophobicContact CD1-CE 3.58Å; N284-M288 HydrophobicContact CB-CE 4.17Å; N284-M288 PolarHBondContact O-N 2.94Å; L285-M288 HydrophobicContact CD2-CE 4.29Å; L285-M288 PolarHBondContact O-N 3.42Å; M288-S292 PolarHBondContact O-N 2.89Å; M288-V293 HydrophobicContact CB-CB 4.17Å; M288-V293 WeakPolarHBondContact O-CB 3.29Å; M288-V293 PolarHBondContact O-N 3.15Å; M288-L294 HydrophobicContact CB-CD1 3.67Å; M288-L294 HydrophobicContact CB-CG 3.83Å; M288-L294 HydrophobicContact CE-CD1 4.15Å; M288-L294 PolarHBondContact O-N 3.05Å
289T93.4Very high90.1Very high18 Ų1842.3 Ų42.311%0.1126%0.256CS..Hα-helixtrans-69.1-45.7173-50.10000111.4L285 K287 N291 S292 Y331 W343 R344L285-T289 WeakPolarHBondContact O-CB 3.44Å; L285-T289 PolarHBondContact O-N 2.95Å; L285-T289 PolarHBondContact O-OG1 2.91Å; K287-T289 VanDerWaalsContact C-N 3.27Å; K287-T289 PolarHBondContact O-N 3.47Å; T289-N291 PolarHBondContact O-N 3.22Å; T289-S292 PolarHBondContact O-N 3.45Å; T289-S292 VanDerWaalsContact O-N 3.11Å; T289-Y331 VanDerWaalsContact OG1-CE2 3.28Å; T289-Y331 WeakPolarHBondContact OG1-CE2 3.46Å; T289-Y331 PolarHBondContact OG1-OH 2.99Å; T289-W343 HydrophobicContact CG2-CB 4.05Å; T289-R344 WeakPolarHBondContact CG2-O 3.3Å
290A90.7Very high90.3Very high34 Ų3439.4 Ų39.428%0.28124%0.236SC..Hα-helixtrans-60.7-30.8176.100000113.4G286 K287 S292 L341 K342 W343G286-A290 VanDerWaalsContact O-CB 3.32Å; G286-A290 WeakPolarHBondContact O-CB 3.21Å; G286-A290 PolarHBondContact O-N 3.46Å; K287-A290 PolarHBondContact O-N 3.39Å; A290-S292 VanDerWaalsContact C-N 3.31Å; A290-L341 HydrophobicContact CB-CD1 3.58Å; A290-L341 HydrophobicContact CB-CG 4.12Å; A290-K342 WeakPolarHBondContact CB-O 3.46Å; A290-W343 HydrophobicContact CB-CB 4.06Å
291N89.6Confident90.4Very high45 Ų4538.3 Ų38.324%0.24123%0.227CC..THydrogen-bonded Turntrans-89.312179.2-76.67.2000113.3L263 W269 K287 T289 V293L263-N291 PolarHBondContact O-ND2 3.02Å; W269-N291 PolarHBondContact NE1-ND2 3.17Å; W269-N291 VanDerWaalsContact NE1-ND2 3.18Å; K287-N291 WeakPolarHBondContact O-CB 3.33Å; K287-N291 PolarHBondContact O-N 2.89Å; T289-N291 PolarHBondContact O-N 3.22Å; N291-V293 HydrophobicContact CB-CG2 4.11Å; N291-V293 PolarHBondContact O-N 3.46Å; N291-V293 VanDerWaalsContact O-N 3.12Å
292S90.1Very high90.3Very high53 Ų5341.6 Ų41.637%0.37125%0.25SC..THydrogen-bonded Turntrans59.223-179.6-76.50000114.7K266 M288 T289 A290 E295K266-S292 VanDerWaalsContact CD-O 3.3Å; K266-S292 WeakPolarHBondContact CD-O 3.1Å; K266-S292 WeakPolarHBondContact CE-O 3.03Å; K266-S292 PolarHBondContact NZ-O 2.92Å; M288-S292 PolarHBondContact O-N 2.89Å; T289-S292 PolarHBondContact O-N 3.45Å; T289-S292 VanDerWaalsContact O-N 3.11Å; A290-S292 VanDerWaalsContact C-N 3.31Å; S292-E295 WeakPolarHBondContact CB-OE1 3.46Å; S292-E295 WeakPolarHBondContact O-CG 3.44Å; S292-E295 PolarHBondContact OG-OE1 3.31Å; S292-E295 VanDerWaalsContact OG-OE1 3.13Å
293V91.4Very high90.4Very high0 Ų042.7 Ų42.70%026%0.256CS..SBendtrans-79.4-43173.6-178.40000109.4K266 W269 K270 M288 N291K266-V293 HydrophobicContact CG-CG2 4.18Å; W269-V293 HydrophobicContact CB-CB 4.36Å; W269-V293 HydrophobicContact CB-CG1 4.1Å; W269-V293 HydrophobicContact CB-CG2 3.39Å; W269-V293 HydrophobicContact CG-CG2 3.96Å; K270-V293 HydrophobicContact CG-CG1 4.15Å; M288-V293 HydrophobicContact CB-CB 4.17Å; M288-V293 WeakPolarHBondContact O-CB 3.29Å; M288-V293 PolarHBondContact O-N 3.15Å; N291-V293 HydrophobicContact CB-CG2 4.11Å; N291-V293 PolarHBondContact O-N 3.46Å; N291-V293 VanDerWaalsContact O-N 3.12Å
294L91.3Very high90.6Very high3 Ų334.7 Ų34.72%0.01623%0.226CC..SBendtrans-101.578.3176.5-57.7175.7000108.7L273 L285 M288 E300 V301 V304 I349L273-L294 HydrophobicContact CD2-CD2 4.37Å; L285-L294 HydrophobicContact CD2-CD1 4.26Å; M288-L294 HydrophobicContact CB-CD1 3.67Å; M288-L294 HydrophobicContact CB-CG 3.83Å; M288-L294 HydrophobicContact CE-CD1 4.15Å; M288-L294 PolarHBondContact O-N 3.05Å; L294-E300 HydrophobicContact CD2-CB 4.06Å; L294-V301 HydrophobicContact CB-CG2 4.13Å; L294-V301 HydrophobicContact CD2-CG2 4.37Å; L294-V304 HydrophobicContact CD1-CG2 4.47Å; L294-V304 HydrophobicContact CD2-CG2 3.75Å; L294-I349 HydrophobicContact CB-CD1 4.25Å; L294-I349 HydrophobicContact CD1-CD1 3.79Å; L294-I349 HydrophobicContact CG-CD1 4.47Å
295E87.9Confident90.7Very high68 Ų6835.3 Ų35.332%0.31823%0.23SC..  trans-94.6146.5172-64.7167.9147.500110K266 S292 G297 N298 V301K266-E295 IonicContact NZ-OE1 2.68Å; K266-E295 IonicContact NZ-OE2 3.38Å; K266-E295 PolarHBondContact NZ-OE2 3.23Å; S292-E295 WeakPolarHBondContact CB-OE1 3.46Å; S292-E295 WeakPolarHBondContact O-CG 3.44Å; S292-E295 PolarHBondContact OG-OE1 3.31Å; S292-E295 VanDerWaalsContact OG-OE1 3.13Å; E295-G297 PolarHBondContact O-N 3.15Å; E295-N298 WeakPolarHBondContact O-CB 3.47Å; E295-N298 PolarHBondContact O-N 3.2Å; E295-N298 VanDerWaalsContact O-N 3.12Å; E295-N298 PolarHBondContact OE2-ND2 3.34Å; E295-V301 VanDerWaalsContact O-CG2 3.29Å; E295-V301 WeakPolarHBondContact O-CG2 3.29Å
296P83.8Confident90.7Very high98 Ų9841.3 Ų41.364%0.63626%0.258SS*.THydrogen-bonded Turntrans-54.6130178.4-25.533.9000111.9
297G78.9Confident90.7Very high70 Ų7042.4 Ų42.472%0.72226%0.26SS*.THydrogen-bonded Turntrans86.4-3.418000000115.7E295E295-G297 PolarHBondContact O-N 3.15Å
298N88.6Confident90.8Very high45 Ų4539.8 Ų39.824%0.24125%0.249CC..  trans-77.4149.1174.6-76.6-2.3000112.2E295 E300 V301E295-N298 WeakPolarHBondContact O-CB 3.47Å; E295-N298 PolarHBondContact O-N 3.2Å; E295-N298 VanDerWaalsContact O-N 3.12Å; E295-N298 PolarHBondContact OE2-ND2 3.34Å; N298-E300 WeakPolarHBondContact CB-OE2 3.1Å; N298-E300 PolarHBondContact O-N 3.42Å; N298-E300 VanDerWaalsContact O-N 3.14Å; N298-V301 PolarHBondContact O-N 2.97Å; N298-V301 VanDerWaalsContact O-N 3.08Å
299S90.8Very high90.7Very high87 Ų8741.4 Ų41.461%0.60826%0.26SS*.Hα-helixtrans-57.7-28.4176.8650000113.7V301 S302 L303S299-V301 VanDerWaalsContact C-N 3.34Å; S299-V301 PolarHBondContact O-N 2.73Å; S299-S302 PolarHBondContact O-N 2.71Å; S299-L303 PolarHBondContact O-N 2.71Å
300E92.7Very high90.6Very high23 Ų2343.1 Ų43.111%0.10727%0.268CS..Hα-helixtrans-67-34.7179.1-69.481.5168.800112K270 L273 L294 N298 L303 V304K270-E300 VanDerWaalsContact CD-OE1 3.23Å; K270-E300 WeakPolarHBondContact CD-OE1 3.49Å; K270-E300 WeakPolarHBondContact CE-OE1 3.37Å; K270-E300 HydrophobicContact CG-CG 4.23Å; K270-E300 IonicContact NZ-OE1 3.07Å; L273-E300 HydrophobicContact CD2-CB 3.88Å; L273-E300 HydrophobicContact CD2-CG 4.06Å; L294-E300 HydrophobicContact CD2-CB 4.06Å; N298-E300 WeakPolarHBondContact CB-OE2 3.1Å; N298-E300 PolarHBondContact O-N 3.42Å; N298-E300 VanDerWaalsContact O-N 3.14Å; E300-L303 PolarHBondContact O-N 2.58Å; E300-V304 VanDerWaalsContact O-CG2 3.3Å; E300-V304 WeakPolarHBondContact O-CG2 3.36Å; E300-V304 PolarHBondContact O-N 3.47Å
301V92.4Very high90.3Very high0 Ų044.9 Ų44.90%027%0.271CS..Hα-helixtrans-65.5-46174.4175.40000109.4L294 E295 N298 S299 L303 V304 C305 E348 I349L294-V301 HydrophobicContact CB-CG2 4.13Å; L294-V301 HydrophobicContact CD2-CG2 4.37Å; E295-V301 VanDerWaalsContact O-CG2 3.29Å; E295-V301 WeakPolarHBondContact O-CG2 3.29Å; N298-V301 PolarHBondContact O-N 2.97Å; N298-V301 VanDerWaalsContact O-N 3.08Å; S299-V301 VanDerWaalsContact C-N 3.34Å; S299-V301 PolarHBondContact O-N 2.73Å; V301-L303 VanDerWaalsContact C-N 3.33Å; V301-L303 PolarHBondContact O-N 2.83Å; V301-V304 PolarHBondContact O-N 3.01Å; V301-V304 VanDerWaalsContact O-N 3.16Å; V301-C305 WeakPolarHBondContact O-CB 3.32Å; V301-C305 PolarHBondContact O-N 3.14Å; V301-C305 PolarHBondContact O-SG 3.08Å; V301-E348 HydrophobicContact CG1-CB 4.05Å; V301-I349 HydrophobicContact CG1-CD1 4.44Å; V301-I349 HydrophobicContact CG1-CG1 4.02Å
302S92.7Very high90.3Very high69 Ų6951 Ų5148%0.48330%0.295SS..Hα-helixtrans-59.4-42.4176.1-49.10000112.2S299 V304 C305 E306S299-S302 PolarHBondContact O-N 2.71Å; S302-V304 PolarHBondContact O-N 3.02Å; S302-C305 PolarHBondContact O-N 3.39Å; S302-E306 WeakPolarHBondContact O-CB 3.41Å; S302-E306 PolarHBondContact O-N 3.43Å
303L93.1Very high90.1Very high39 Ų3951.8 Ų51.820%0.20430%0.295CS..Hα-helixtrans-61.7-42.5175.5-18065.9000112.2L273 S299 E300 V301 K307L273-L303 HydrophobicContact CD2-CD2 4.42Å; L273-L303 HydrophobicContact CG-CD2 4.34Å; S299-L303 PolarHBondContact O-N 2.71Å; E300-L303 PolarHBondContact O-N 2.58Å; V301-L303 VanDerWaalsContact C-N 3.33Å; V301-L303 PolarHBondContact O-N 2.83Å; L303-K307 WeakPolarHBondContact O-CG 3.19Å; L303-K307 PolarHBondContact O-N 3.28Å
304V94.1Very high89.8Confident0 Ų052 Ų520%030%0.296CS..Hα-helixtrans-62.9-48.3175.6169.90000110.4L273 L281 L285 L294 E300 V301 S302 E306 K307 L308L273-V304 HydrophobicContact CD1-CG2 3.88Å; L273-V304 HydrophobicContact CD2-CG2 4.17Å; L281-V304 HydrophobicContact CD1-CG1 4.42Å; L281-V304 HydrophobicContact CD1-CG2 4Å; L281-V304 HydrophobicContact CD2-CG1 4.46Å; L285-V304 HydrophobicContact CD2-CG1 3.81Å; L294-V304 HydrophobicContact CD1-CG2 4.47Å; L294-V304 HydrophobicContact CD2-CG2 3.75Å; E300-V304 VanDerWaalsContact O-CG2 3.3Å; E300-V304 WeakPolarHBondContact O-CG2 3.36Å; E300-V304 PolarHBondContact O-N 3.47Å; V301-V304 PolarHBondContact O-N 3.01Å; V301-V304 VanDerWaalsContact O-N 3.16Å; S302-V304 PolarHBondContact O-N 3.02Å; V304-E306 VanDerWaalsContact C-N 3.32Å; V304-E306 PolarHBondContact O-N 3.5Å; V304-K307 PolarHBondContact O-N 3.3Å; V304-L308 HydrophobicContact CG1-CD1 3.77Å; V304-L308 HydrophobicContact CG1-CG 4.25Å; V304-L308 WeakPolarHBondContact O-CB 3.26Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 3.45Å
305C93.8Very high89.3Confident20 Ų2057 Ų5714%0.13532%0.318CS..Hα-helixtrans-59.7-41.9178.9-69.50000111.7V301 S302 L308 C309 A352V301-C305 WeakPolarHBondContact O-CB 3.32Å; V301-C305 PolarHBondContact O-N 3.14Å; V301-C305 PolarHBondContact O-SG 3.08Å; S302-C305 PolarHBondContact O-N 3.39Å; C305-L308 PolarHBondContact O-N 3.43Å; C305-C309 WeakPolarHBondContact O-CB 3.25Å; C305-C309 PolarHBondContact O-N 3.17Å; C305-C309 PolarHBondContact O-SG 3.08Å; C305-A352 HydrophobicContact CB-CB 3.98Å
306E93.6Very high89Confident128 Ų12862.4 Ų62.460%0.59834%0.34SS*.Hα-helixtrans-61.3-48.6175.4-171.2-171.6165.100111.5S302 V304 L308 C309 N310S302-E306 WeakPolarHBondContact O-CB 3.41Å; S302-E306 PolarHBondContact O-N 3.43Å; V304-E306 VanDerWaalsContact C-N 3.32Å; V304-E306 PolarHBondContact O-N 3.5Å; E306-L308 PolarHBondContact O-N 2.96Å; E306-C309 PolarHBondContact O-N 3.04Å; E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 PolarHBondContact O-N 3.23Å; E306-N310 VanDerWaalsContact O-N 3.11Å
307K92.6Very high88.9Confident33 Ų3359.8 Ų59.814%0.14333%0.327CS..Hα-helixtrans-60.6-42.8178-76.1-178178.5-172.70112.1L273 Q274 L278 L281 L303 V304 C309 N310L273-K307 PolarHBondContact O-NZ 2.9Å; Q274-K307 PolarHBondContact O-NZ 2.99Å; L278-K307 HydrophobicContact CD2-CB 4.11Å; L281-K307 HydrophobicContact CD2-CB 4.23Å; L281-K307 HydrophobicContact CD2-CD 4.39Å; L303-K307 WeakPolarHBondContact O-CG 3.19Å; L303-K307 PolarHBondContact O-N 3.28Å; V304-K307 PolarHBondContact O-N 3.3Å; K307-C309 VanDerWaalsContact C-N 3.35Å; K307-N310 PolarHBondContact O-N 3.04Å
308L92.1Very high88.8Confident2 Ų264.3 Ų64.31%0.0132%0.322CS..Hα-helixtrans-68.1-34.6178.1-69.1176.2000112L281 L282 V304 C305 E306 N310 L314 A352 L353 A356L281-L308 HydrophobicContact CD2-CD2 4.35Å; L282-L308 HydrophobicContact CD2-CD2 3.58Å; L282-L308 HydrophobicContact CG-CD2 4.42Å; V304-L308 HydrophobicContact CG1-CD1 3.77Å; V304-L308 HydrophobicContact CG1-CG 4.25Å; V304-L308 WeakPolarHBondContact O-CB 3.26Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 3.45Å; C305-L308 PolarHBondContact O-N 3.43Å; E306-L308 PolarHBondContact O-N 2.96Å; L308-N310 VanDerWaalsContact C-N 3.33Å; L308-N310 PolarHBondContact O-N 3.04Å; L308-L314 WeakPolarHBondContact O-CD1 3.44Å; L308-A352 HydrophobicContact CB-CB 4.39Å; L308-A352 HydrophobicContact CD1-CB 4.29Å; L308-L353 HydrophobicContact CD1-CD2 3.87Å; L308-L353 HydrophobicContact CD1-CG 4.07Å; L308-L353 HydrophobicContact CD2-CD2 4.15Å; L308-A356 HydrophobicContact CB-CB 4.47Å; L308-A356 VanDerWaalsContact O-CB 3.22Å; L308-A356 WeakPolarHBondContact O-CB 3.27Å
309C90.9Very high88.3Confident34 Ų3462.6 Ų62.623%0.2331%0.313CS..Hα-helixtrans-83.3-5-179.6-72.70000114.1C305 E306 K307 E311 K359C305-C309 WeakPolarHBondContact O-CB 3.25Å; C305-C309 PolarHBondContact O-N 3.17Å; C305-C309 PolarHBondContact O-SG 3.08Å; E306-C309 PolarHBondContact O-N 3.04Å; K307-C309 VanDerWaalsContact C-N 3.35Å; C309-E311 PolarHBondContact O-N 2.72Å; C309-K359 WeakPolarHBondContact O-CD 3.29Å; C309-K359 PolarHBondContact O-NZ 2.85Å
310N90.9Very high87.6Confident55 Ų5559.7 Ų59.729%0.29429%0.29SS..  trans-86.7104.4-175.8-171.5-38000112.2E306 K307 L308 K312 L313 L314E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 PolarHBondContact O-N 3.23Å; E306-N310 VanDerWaalsContact O-N 3.11Å; K307-N310 PolarHBondContact O-N 3.04Å; L308-N310 VanDerWaalsContact C-N 3.33Å; L308-N310 PolarHBondContact O-N 3.04Å; N310-K312 VanDerWaalsContact C-N 3.32Å; N310-K312 PolarHBondContact O-N 3.34Å; N310-K312 PolarHBondContact OD1-N 3.35Å; N310-K312 VanDerWaalsContact OD1-N 3.09Å; N310-L313 HydrophobicContact CB-CB 4.14Å; N310-L313 HydrophobicContact CB-CD1 3.93Å; N310-L313 HydrophobicContact CB-CG 4.08Å; N310-L313 PolarHBondContact O-N 3.43Å; N310-L313 PolarHBondContact OD1-N 2.83Å; N310-L314 WeakPolarHBondContact O-CG 3.39Å; N310-L314 PolarHBondContact O-N 3.19Å
311E85.8Confident86.9Confident71 Ų7159.2 Ų59.233%0.33229%0.289SS..Hα-helixtrans-59.8-37.5-177.5-166.1-172.7146.300113.4C309 L313 L314 K315C309-E311 PolarHBondContact O-N 2.72Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 3.35Å; E311-L314 PolarHBondContact O-N 2.88Å; E311-K315 HydrophobicContact CG-CD 4.36Å; E311-K315 WeakPolarHBondContact O-CB 3.33Å; E311-K315 WeakPolarHBondContact O-CG 3.37Å; E311-K315 PolarHBondContact O-N 3.41Å; E311-K315 WeakPolarHBondContact OE1-CE 3.38Å; E311-K315 IonicContact OE1-NZ 2.79Å; E311-K315 PolarHBondContact OE1-NZ 3.22Å
312K88.1Confident86.2Confident174 Ų17459.4 Ų59.476%0.75729%0.289SS*.Hα-helixtrans-66.2-39.4179.4-65.1-179-179.8177.60111.1N310 K316N310-K312 VanDerWaalsContact C-N 3.32Å; N310-K312 PolarHBondContact O-N 3.34Å; N310-K312 PolarHBondContact OD1-N 3.35Å; N310-K312 VanDerWaalsContact OD1-N 3.09Å; K312-K316 VanDerWaalsContact O-CB 3.3Å; K312-K316 WeakPolarHBondContact O-CB 3.38Å; K312-K316 PolarHBondContact O-N 2.94Å
313L87.4Confident85.5Confident68 Ų6858.8 Ų58.836%0.35628%0.279SS..Hα-helixtrans-70-42.7176.8-66.1-179.8000111.5L278 N310 E311 K315 K316 A317L278-L313 HydrophobicContact CD1-CB 3.86Å; N310-L313 HydrophobicContact CB-CB 4.14Å; N310-L313 HydrophobicContact CB-CD1 3.93Å; N310-L313 HydrophobicContact CB-CG 4.08Å; N310-L313 PolarHBondContact O-N 3.43Å; N310-L313 PolarHBondContact OD1-N 2.83Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 3.35Å; L313-K315 PolarHBondContact O-N 3.01Å; L313-K316 PolarHBondContact O-N 3.38Å; L313-A317 VanDerWaalsContact O-CB 3.3Å; L313-A317 WeakPolarHBondContact O-CB 3.46Å; L313-A317 PolarHBondContact O-N 3.16Å
314L84.5Confident85.3Confident6 Ų657 Ų573%0.03127%0.269CS..Hα-helixtrans-57.8-46.7175.2-68.5172.6000111.5L278 L308 N310 E311 A317 R318 I319 I324 A356 T360L278-L314 HydrophobicContact CD1-CD2 4.31Å; L308-L314 WeakPolarHBondContact O-CD1 3.44Å; N310-L314 WeakPolarHBondContact O-CG 3.39Å; N310-L314 PolarHBondContact O-N 3.19Å; E311-L314 PolarHBondContact O-N 2.88Å; L314-A317 PolarHBondContact O-N 3.39Å; L314-R318 PolarHBondContact O-N 3.47Å; L314-R318 VanDerWaalsContact O-N 3.09Å; L314-I319 HydrophobicContact CD2-CB 3.93Å; L314-I319 HydrophobicContact CD2-CG1 4.1Å; L314-I319 HydrophobicContact CD2-CG2 4.01Å; L314-I319 PolarHBondContact O-N 3.36Å; L314-I324 HydrophobicContact CD2-CD1 4.32Å; L314-A356 HydrophobicContact CD1-CB 4.39Å; L314-T360 HydrophobicContact CD1-CG2 4.04Å
315K79.8Confident84.8Confident107 Ų10757 Ų5747%0.46527%0.269SS..Hα-helixtrans-61.7-49.6175.3-77.9176.1170.4169.40112.1E311 L313 A317 R318 T363E311-K315 HydrophobicContact CG-CD 4.36Å; E311-K315 WeakPolarHBondContact O-CB 3.33Å; E311-K315 WeakPolarHBondContact O-CG 3.37Å; E311-K315 PolarHBondContact O-N 3.41Å; E311-K315 WeakPolarHBondContact OE1-CE 3.38Å; E311-K315 IonicContact OE1-NZ 2.79Å; E311-K315 PolarHBondContact OE1-NZ 3.22Å; L313-K315 PolarHBondContact O-N 3.01Å; K315-A317 VanDerWaalsContact C-N 3.31Å; K315-A317 PolarHBondContact O-N 2.88Å; K315-R318 PolarHBondContact O-N 3.21Å; K315-T363 HydrophobicContact CD-CG2 4.38Å; K315-T363 HydrophobicContact CG-CG2 4.2Å
316K82.9Confident84.4Confident181 Ų18158.4 Ų58.479%0.78728%0.275SS*.Hα-helixtrans-61.7-38.5-179.6-176.4178.1179.21800112.5K312 L313 R318K312-K316 VanDerWaalsContact O-CB 3.3Å; K312-K316 WeakPolarHBondContact O-CB 3.38Å; K312-K316 PolarHBondContact O-N 2.94Å; L313-K316 PolarHBondContact O-N 3.38Å; K316-R318 VanDerWaalsContact C-N 3.25Å; K316-R318 PolarHBondContact O-N 2.83Å
317A82.2Confident84.2Confident44 Ų4452.8 Ų52.836%0.36425%0.25SS..THydrogen-bonded Turntrans-83.30.7177.500000113.4L278 L313 L314 K315 I319L278-A317 HydrophobicContact CB-CB 4.19Å; L278-A317 HydrophobicContact CD1-CB 3.83Å; L278-A317 HydrophobicContact CG-CB 4.45Å; L313-A317 VanDerWaalsContact O-CB 3.3Å; L313-A317 WeakPolarHBondContact O-CB 3.46Å; L313-A317 PolarHBondContact O-N 3.16Å; L314-A317 PolarHBondContact O-N 3.39Å; K315-A317 VanDerWaalsContact C-N 3.31Å; K315-A317 PolarHBondContact O-N 2.88Å; A317-I319 VanDerWaalsContact C-N 3.26Å; A317-I319 HydrophobicContact CB-CD1 4.07Å; A317-I319 HydrophobicContact CB-CG1 3.85Å; A317-I319 PolarHBondContact O-N 3.39Å
318R74.9Confident84.1Confident164 Ų16452 Ų5262%0.61925%0.248SC*.THydrogen-bonded Turntrans51.244.4-177.9-58.9-175.8178.4-176.9-1.9112.3Q82 L314 K315 K316 H320Q82-R318 PolarHBondContact O-NH1 3.48Å; L314-R318 PolarHBondContact O-N 3.47Å; L314-R318 VanDerWaalsContact O-N 3.09Å; K315-R318 PolarHBondContact O-N 3.21Å; K316-R318 VanDerWaalsContact C-N 3.25Å; K316-R318 PolarHBondContact O-N 2.83Å; R318-H320 PolarHBondContact O-N 3.2Å; R318-H320 VanDerWaalsContact O-N 3.15Å
319I79.6Confident83.8Confident9 Ų954.2 Ų54.25%0.04626%0.258CS..  trans-77.2102.5178.4-56.9-59.1000108.9L278 T279 L282 L314 A317 H323 I324 T360L278-I319 HydrophobicContact CB-CD1 4.13Å; L278-I319 HydrophobicContact CB-CG1 4.25Å; L278-I319 HydrophobicContact CD1-CG1 4.23Å; T279-I319 HydrophobicContact CG2-CD1 3.52Å; L282-I319 HydrophobicContact CD1-CD1 4.33Å; L282-I319 HydrophobicContact CD1-CG2 4.06Å; L314-I319 HydrophobicContact CD2-CB 3.93Å; L314-I319 HydrophobicContact CD2-CG1 4.1Å; L314-I319 HydrophobicContact CD2-CG2 4.01Å; L314-I319 PolarHBondContact O-N 3.36Å; A317-I319 VanDerWaalsContact C-N 3.26Å; A317-I319 HydrophobicContact CB-CD1 4.07Å; A317-I319 HydrophobicContact CB-CG1 3.85Å; A317-I319 PolarHBondContact O-N 3.39Å; I319-H323 HydrophobicContact CG2-CB 4.15Å; I319-I324 HydrophobicContact CG2-CD1 3.98Å; I319-I324 HydrophobicContact CG2-CG1 3.68Å; I319-T360 WeakPolarHBondContact O-CG2 3.5Å
320H74.6Confident83.6Confident26 Ų2655.2 Ų55.212%0.1226%0.263CS..  trans-65.7147.8169.5-163.9-98.8000112.4R318 F322 H323 T524R318-H320 PolarHBondContact O-N 3.2Å; R318-H320 VanDerWaalsContact O-N 3.15Å; H320-F322 AromaticContact CE1-CD2 3.1Å; H320-F322 WeakPolarHBondContact CE1-CD2 3.35Å; H320-F322 AromaticContact CE1-CE2 3.33Å; H320-F322 WeakPolarHBondContact CE1-CE2 3.35Å; H320-F322 AromaticContact CE1-CG 3.79Å; H320-F322 AromaticContact ND1-CD2 3.03Å; H320-F322 WeakPolarHBondContact ND1-CD2 3.46Å; H320-F322 AromaticContact ND1-CE2 3.78Å; H320-F322 AromaticContact ND1-CG 3.44Å; H320-F322 WeakPolarHBondContact ND1-CG 3.47Å; H320-F322 PolarHBondContact ND1-N 2.72Å; H320-F322 PolarHBondContact O-N 3.25Å; H320-H323 WeakPolarHBondContact CB-ND1 3.41Å; H320-H323 PolarHBondContact N-ND1 3.39Å; H320-H323 VanDerWaalsContact N-ND1 3.16Å; H320-H323 WeakPolarHBondContact O-CB 3.47Å; H320-H323 PolarHBondContact O-N 2.96Å; H320-T524 HydrophobicContact CB-CG2 3.77Å; H320-T524 WeakPolarHBondContact CD2-CB 3.22Å; H320-T524 VanDerWaalsContact CD2-CG2 3.41Å; H320-T524 WeakPolarHBondContact CD2-CG2 3.32Å; H320-T524 WeakPolarHBondContact NE2-CA 3.13Å
321P79.3Confident83.6Confident13 Ų1352.8 Ų52.88%0.08425%0.25CS..Hα-helixtrans-48.7-35.2174.4-22.320.1000114.4H323 I324 L325 F357 T360 F361P321-H323 VanDerWaalsContact C-N 3.35Å; P321-H323 PolarHBondContact O-N 2.89Å; P321-I324 WeakPolarHBondContact O-CB 3.26Å; P321-I324 PolarHBondContact O-N 2.83Å; P321-I324 VanDerWaalsContact O-N 3.12Å; P321-L325 PolarHBondContact O-N 3.43Å; P321-F357 HydrophobicContact CB-CD2 3.91Å; P321-F357 HydrophobicContact CB-CE2 3.85Å; P321-T360 WeakPolarHBondContact CA-OG1 3.44Å; P321-T360 WeakPolarHBondContact CB-OG1 3.45Å; P321-T360 WeakPolarHBondContact CG-OG1 3.17Å; P321-F361 HydrophobicContact CB-CD1 4.24Å; P321-F361 HydrophobicContact CB-CE1 3.82Å; P321-F361 HydrophobicContact CG-CD1 3.95Å; P321-F361 HydrophobicContact CG-CE1 4.01Å
322F76.6Confident83.8Confident4 Ų453.7 Ų53.72%0.01825%0.253CS..Hα-helixtrans-63.4-34.8177.7-66-42.8000114.4H320 I324 L325 I326 V395 A398 M399 F522H320-F322 AromaticContact CE1-CD2 3.1Å; H320-F322 WeakPolarHBondContact CE1-CD2 3.35Å; H320-F322 AromaticContact CE1-CE2 3.33Å; H320-F322 WeakPolarHBondContact CE1-CE2 3.35Å; H320-F322 AromaticContact CE1-CG 3.79Å; H320-F322 AromaticContact ND1-CD2 3.03Å; H320-F322 WeakPolarHBondContact ND1-CD2 3.46Å; H320-F322 AromaticContact ND1-CE2 3.78Å; H320-F322 AromaticContact ND1-CG 3.44Å; H320-F322 WeakPolarHBondContact ND1-CG 3.47Å; H320-F322 PolarHBondContact ND1-N 2.72Å; H320-F322 PolarHBondContact O-N 3.25Å; F322-I324 PolarHBondContact O-N 2.97Å; F322-L325 HydrophobicContact CD1-CD2 4.44Å; F322-L325 PolarHBondContact O-N 2.84Å; F322-I326 WeakPolarHBondContact O-CB 3.49Å; F322-I326 VanDerWaalsContact O-CG1 3.29Å; F322-I326 WeakPolarHBondContact O-CG1 3.33Å; F322-I326 PolarHBondContact O-N 3.05Å; F322-V395 HydrophobicContact CD1-CG1 4.19Å; F322-V395 HydrophobicContact CE1-CG1 3.34Å; F322-V395 HydrophobicContact CZ-CG1 3.61Å; F322-A398 HydrophobicContact CE1-CB 4.48Å; F322-M399 HydrophobicContact CE1-CG 4.36Å; F322-M399 HydrophobicContact CE1-SD 4.31Å; F322-M399 HydrophobicContact CE2-SD 4.17Å; F322-M399 HydrophobicContact CZ-CG 3.76Å; F322-M399 HydrophobicContact CZ-SD 3.47Å; F322-M399 WeakPolarHBondContact CZ-SD 3.38Å; F322-F522 HydrophobicContact CD2-CD1 4.37Å; F322-F522 HydrophobicContact CE2-CD1 4.36Å; F322-F522 HydrophobicContact CE2-CG 4.49Å
323H79.8Confident83.8Confident57 Ų5748.3 Ų48.326%0.26424%0.235SC..Hα-helixtrans-63-37175.3-60.2119.8000110.9L282 I319 H320 P321 A327L282-H323 HydrophobicContact CD1-CB 4.3Å; I319-H323 HydrophobicContact CG2-CB 4.15Å; H320-H323 WeakPolarHBondContact CB-ND1 3.41Å; H320-H323 PolarHBondContact N-ND1 3.39Å; H320-H323 VanDerWaalsContact N-ND1 3.16Å; H320-H323 WeakPolarHBondContact O-CB 3.47Å; H320-H323 PolarHBondContact O-N 2.96Å; P321-H323 VanDerWaalsContact C-N 3.35Å; P321-H323 PolarHBondContact O-N 2.89Å; H323-A327 VanDerWaalsContact O-CB 3.24Å; H323-A327 WeakPolarHBondContact O-CB 3.12Å; H323-A327 PolarHBondContact O-N 3.12Å; H323-A327 VanDerWaalsContact O-N 3.07Å
324I87.2Confident83.9Confident1 Ų145.6 Ų45.61%0.00522%0.223CC..Hα-helixtrans-71.6-44.2177.4-55.5177.3000109.7L314 I319 P321 F322 I326 A327 L328 L353 A356 F357 T360L314-I324 HydrophobicContact CD2-CD1 4.32Å; I319-I324 HydrophobicContact CG2-CD1 3.98Å; I319-I324 HydrophobicContact CG2-CG1 3.68Å; P321-I324 WeakPolarHBondContact O-CB 3.26Å; P321-I324 PolarHBondContact O-N 2.83Å; P321-I324 VanDerWaalsContact O-N 3.12Å; F322-I324 PolarHBondContact O-N 2.97Å; I324-I326 PolarHBondContact O-N 2.96Å; I324-A327 CarbonylContact O-C 3.57Å; I324-A327 PolarHBondContact O-N 3.1Å; I324-L328 VanDerWaalsContact O-CB 3.28Å; I324-L328 WeakPolarHBondContact O-CB 3.29Å; I324-L328 PolarHBondContact O-N 3.47Å; I324-L353 HydrophobicContact CG2-CB 4.39Å; I324-L353 HydrophobicContact CG2-CD2 4.07Å; I324-L353 WeakPolarHBondContact CG2-O 3.15Å; I324-A356 HydrophobicContact CD1-CB 3.85Å; I324-A356 WeakPolarHBondContact CD1-O 3.35Å; I324-A356 HydrophobicContact CG2-CB 4.29Å; I324-F357 HydrophobicContact CB-CB 4.49Å; I324-F357 HydrophobicContact CG2-CB 3.91Å; I324-T360 HydrophobicContact CD1-CG2 3.49Å; I324-T360 VanDerWaalsContact CD1-CG2 3.49Å
325L85.1Confident84Confident0 Ų049.9 Ų49.90%024%0.243CC..Hα-helixtrans-60.5-46.5178.4-178.857.3000112.2P321 F322 A327 L328 E329 F357 L390 A398 L430P321-L325 PolarHBondContact O-N 3.43Å; F322-L325 HydrophobicContact CD1-CD2 4.44Å; F322-L325 PolarHBondContact O-N 2.84Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 2.85Å; L325-L328 PolarHBondContact O-N 2.91Å; L325-E329 HydrophobicContact CD1-CG 4.26Å; L325-E329 PolarHBondContact O-N 3.2Å; L325-F357 HydrophobicContact CB-CD2 4.34Å; L325-F357 HydrophobicContact CB-CE2 4.11Å; L325-L390 HydrophobicContact CD2-CD1 3.85Å; L325-L390 HydrophobicContact CG-CD1 3.79Å; L325-L390 HydrophobicContact CG-CD2 4.19Å; L325-A398 HydrophobicContact CD2-CB 3.86Å; L325-L430 HydrophobicContact CD1-CD2 3.26Å; L325-L430 HydrophobicContact CD2-CD2 4.4Å; L325-L430 HydrophobicContact CG-CD2 4.46Å
326I84.8Confident84.1Confident49 Ų4945.7 Ų45.725%0.25123%0.23SC..Hα-helixtrans-61.4-44175.3-67.1167.4000110.1F322 I324 T330 L390F322-I326 WeakPolarHBondContact O-CB 3.49Å; F322-I326 VanDerWaalsContact O-CG1 3.29Å; F322-I326 WeakPolarHBondContact O-CG1 3.33Å; F322-I326 PolarHBondContact O-N 3.05Å; I324-I326 PolarHBondContact O-N 2.96Å; I326-T330 WeakPolarHBondContact O-CB 3.36Å; I326-T330 PolarHBondContact O-N 3.08Å; I326-T330 PolarHBondContact O-OG1 3.4Å; I326-L390 HydrophobicContact CG1-CD1 3.6Å; I326-L390 HydrophobicContact CG1-CG 4.43Å
327A89.1Confident83.5Confident10 Ų1042.9 Ų42.98%0.08322%0.223CC..Hα-helixtrans-65.3-41179.100000112.3L282 H323 I324 L325 T330 Y331L282-A327 HydrophobicContact CB-CB 4.03Å; L282-A327 HydrophobicContact CD2-CB 3.9Å; L282-A327 HydrophobicContact CG-CB 4.47Å; H323-A327 VanDerWaalsContact O-CB 3.24Å; H323-A327 WeakPolarHBondContact O-CB 3.12Å; H323-A327 PolarHBondContact O-N 3.12Å; H323-A327 VanDerWaalsContact O-N 3.07Å; I324-A327 CarbonylContact O-C 3.57Å; I324-A327 PolarHBondContact O-N 3.1Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 2.85Å; A327-T330 PolarHBondContact O-N 3.29Å; A327-Y331 WeakPolarHBondContact O-CB 3.41Å; A327-Y331 PolarHBondContact O-N 2.9Å
328L89.7Confident82.8Confident18 Ų1850.9 Ų50.99%0.09424%0.244CC..Hα-helixtrans-60.4-57.7177.5174.864.1000110.8I324 L325 T330 Y331 K332 L350 L353I324-L328 VanDerWaalsContact O-CB 3.28Å; I324-L328 WeakPolarHBondContact O-CB 3.29Å; I324-L328 PolarHBondContact O-N 3.47Å; L325-L328 PolarHBondContact O-N 2.91Å; L328-T330 VanDerWaalsContact C-N 3.28Å; L328-T330 PolarHBondContact O-N 3.36Å; L328-Y331 PolarHBondContact O-N 2.66Å; L328-K332 VanDerWaalsContact O-CB 3.29Å; L328-K332 WeakPolarHBondContact O-CB 3.3Å; L328-K332 PolarHBondContact O-N 2.82Å; L328-L350 HydrophobicContact CD1-CD2 3.78Å; L328-L353 HydrophobicContact CB-CB 4.29Å; L328-L353 HydrophobicContact CB-CD1 4.41Å; L328-L353 HydrophobicContact CD1-CB 3.84Å; L328-L353 HydrophobicContact CD1-CD1 4.27Å
329E85.9Confident82.9Confident47 Ų4746.4 Ų46.422%0.2225%0.248CC..Hα-helixtrans-63.1-38.5-179.3-71.6-58.8141.600110.8L325 Y331 K332 T333 I389 L390L325-E329 HydrophobicContact CD1-CG 4.26Å; L325-E329 PolarHBondContact O-N 3.2Å; E329-Y331 PolarHBondContact O-N 2.95Å; E329-K332 PolarHBondContact O-N 3.39Å; E329-T333 VanDerWaalsContact O-CG2 3.23Å; E329-T333 WeakPolarHBondContact O-CG2 3.43Å; E329-T333 PolarHBondContact O-N 2.98Å; E329-I389 HydrophobicContact CB-CD1 3.39Å; E329-I389 HydrophobicContact CB-CG1 4.06Å; E329-L390 HydrophobicContact CB-CD2 3.97Å; E329-L390 HydrophobicContact CG-CD2 3.64Å
330T87.9Confident83.1Confident56 Ų5655.9 Ų55.934%0.34429%0.289SS..Hα-helixtrans-66.9-40.5178.9-59.60000110.7I326 A327 L328 T333 W343 I389I326-T330 WeakPolarHBondContact O-CB 3.36Å; I326-T330 PolarHBondContact O-N 3.08Å; I326-T330 PolarHBondContact O-OG1 3.4Å; A327-T330 PolarHBondContact O-N 3.29Å; L328-T330 VanDerWaalsContact C-N 3.28Å; L328-T330 PolarHBondContact O-N 3.36Å; T330-T333 PolarHBondContact O-OG1 2.7Å; T330-W343 WeakPolarHBondContact O-CZ2 3.41Å; T330-I389 VanDerWaalsContact N-CD1 3.25Å
331Y91.3Very high83.7Confident4 Ų457.9 Ų57.92%0.01630%0.3CS..Hα-helixtrans-69.3-39.3179-172.6-115000111.6L285 T289 A327 L328 E329 T333 G334 W343 P345 D346 I349 L350 L353L285-Y331 HydrophobicContact CB-CD2 3.75Å; L285-Y331 HydrophobicContact CB-CE2 3.97Å; L285-Y331 HydrophobicContact CB-CG 4.41Å; T289-Y331 VanDerWaalsContact OG1-CE2 3.28Å; T289-Y331 WeakPolarHBondContact OG1-CE2 3.46Å; T289-Y331 PolarHBondContact OG1-OH 2.99Å; A327-Y331 WeakPolarHBondContact O-CB 3.41Å; A327-Y331 PolarHBondContact O-N 2.9Å; L328-Y331 PolarHBondContact O-N 2.66Å; E329-Y331 PolarHBondContact O-N 2.95Å; Y331-T333 VanDerWaalsContact C-N 3.31Å; Y331-T333 PolarHBondContact O-N 2.59Å; Y331-G334 PolarHBondContact O-N 3.38Å; Y331-W343 AromaticContact CD2-NE1 3.41Å; Y331-W343 AromaticContact CE2-CD1 3.71Å; Y331-W343 AromaticContact CE2-NE1 3.61Å; Y331-W343 PolarHBondContact O-NE1 3.45Å; Y331-P345 HydrophobicContact CD1-CB 4.32Å; Y331-P345 HydrophobicContact CE1-CB 4.05Å; Y331-P345 WeakPolarHBondContact O-CG 3.5Å; Y331-D346 WeakPolarHBondContact OH-CB 3.33Å; Y331-D346 PolarHBondContact OH-N 3.19Å; Y331-I349 HydrophobicContact CD1-CG2 4.07Å; Y331-I349 HydrophobicContact CE1-CB 3.93Å; Y331-I349 HydrophobicContact CE1-CG2 3.69Å; Y331-L350 HydrophobicContact CD1-CD2 3.81Å; Y331-L350 HydrophobicContact CD1-CG 4.16Å; Y331-L350 HydrophobicContact CE1-CD2 4.46Å; Y331-L350 HydrophobicContact CE1-CG 4.32Å; Y331-L353 HydrophobicContact CD1-CD1 4.44Å
332K89.9Confident84.3Confident90 Ų9065 Ų6539%0.39133%0.33SS..Hα-helixtrans-61.8-32.6178.8-172.1178.5-176.5177.20113.2L328 E329 G334 L350L328-K332 VanDerWaalsContact O-CB 3.29Å; L328-K332 WeakPolarHBondContact O-CB 3.3Å; L328-K332 PolarHBondContact O-N 2.82Å; E329-K332 PolarHBondContact O-N 3.39Å; K332-G334 PolarHBondContact O-N 3.44Å; K332-G334 VanDerWaalsContact O-N 3.16Å; K332-L350 HydrophobicContact CB-CD2 4.15Å
333T87.1Confident85.1Confident60 Ų6066.2 Ų66.237%0.36833%0.334SS..THydrogen-bonded Turntrans-62.7-21.9178.668.10000113.6E329 T330 Y331 H335 I389E329-T333 VanDerWaalsContact O-CG2 3.23Å; E329-T333 WeakPolarHBondContact O-CG2 3.43Å; E329-T333 PolarHBondContact O-N 2.98Å; T330-T333 PolarHBondContact O-OG1 2.7Å; Y331-T333 VanDerWaalsContact C-N 3.31Å; Y331-T333 PolarHBondContact O-N 2.59Å; T333-H335 PolarHBondContact O-N 2.94Å; T333-H335 PolarHBondContact O-ND1 3.29Å; T333-H335 PolarHBondContact OG1-N 3.48Å; T333-H335 PolarHBondContact OG1-O 3.34Å; T333-I389 HydrophobicContact CG2-CD1 4.24Å
334G89.6Confident85.7Confident11 Ų1173.7 Ų73.711%0.11336%0.36CS..SBendtrans69.87.5-178.200000114.6Y331 K332 K342 W343Y331-G334 PolarHBondContact O-N 3.38Å; K332-G334 PolarHBondContact O-N 3.44Å; K332-G334 VanDerWaalsContact O-N 3.16Å; G334-K342 CarbonylContact O-C 3.57Å; G334-K342 WeakPolarHBondContact O-CA 3.45Å; G334-W343 CarbonylContact C-O 3.53Å; G334-W343 VanDerWaalsContact CA-O 3.29Å; G334-W343 WeakPolarHBondContact CA-O 3.39Å; G334-W343 PolarHBondContact O-N 3.32Å
335H86.7Confident86Confident97 Ų9775.3 Ų75.345%0.44937%0.371SS..BIsolated β-bridgetrans-153.7152.4178.365.5-79.2000112.7T333 L341 K342 W343T333-H335 PolarHBondContact O-N 2.94Å; T333-H335 PolarHBondContact O-ND1 3.29Å; T333-H335 PolarHBondContact OG1-N 3.48Å; T333-H335 PolarHBondContact OG1-O 3.34Å; H335-L341 WeakPolarHBondContact CA-O 3.4Å; H335-K342 HydrophobicContact CB-CG 4.12Å; H335-W343 WeakPolarHBondContact O-CH2 3.38Å
336G81.9Confident86.4Confident18 Ų1875.9 Ų75.919%0.18637%0.374CS..  trans-72.4137178.300000111.6R338 L341 W343G336-R338 PolarHBondContact O-N 3.16Å; G336-L341 PolarHBondContact N-O 2.91Å; G336-W343 VanDerWaalsContact N-CZ3 3.27Å
337L71Confident86.7Confident123 Ų12379.5 Ų79.564%0.64439%0.39SS*.SBendtrans-58-32.3173.6-159.995.3000112.3I389L337-I389 HydrophobicContact CD1-CG2 3.38Å
338R67.8Low86.8Confident212 Ų21283.5 Ų83.580%0.841%0.407SS*.SBendtrans-121.7126.1176.5-61.6-175.5-176.6-179.62.9109.1G336G336-R338 PolarHBondContact O-N 3.16Å
339G75.4Confident87Confident70 Ų7082.7 Ų82.772%0.72240%0.402SS*.SBendtrans101.6-161.9175.100000114.5
340K84.6Confident87.2Confident208 Ų20881.7 Ų81.790%0.90440%0.399SS*.SBendtrans-110.16.1-173.8-60.3-175.8-179.7-177.50114K342K340-K342 PolarHBondContact O-N 3.36Å
341L87.8Confident87.3Confident67 Ų6785.5 Ų85.535%0.35141%0.41SS..  trans-69.5127.6-175.8-170.571.3000110.1K287 A290 H335 G336 W343K287-L341 HydrophobicContact CB-CD2 4.16Å; A290-L341 HydrophobicContact CB-CD1 3.58Å; A290-L341 HydrophobicContact CB-CG 4.12Å; H335-L341 WeakPolarHBondContact CA-O 3.4Å; G336-L341 PolarHBondContact N-O 2.91Å; L341-W343 HydrophobicContact CD2-CE3 4.12Å; L341-W343 HydrophobicContact CD2-CZ3 3.92Å; L341-W343 HydrophobicContact CG-CE3 4.04Å; L341-W343 HydrophobicContact CG-CZ3 4.09Å
342K91.3Very high87.4Confident163 Ų16385.6 Ų85.671%0.70941%0.412SS*.BIsolated β-bridgetrans-129.3146.5174.9-64.3-174.1177-174.50109.4A290 G334 H335 K340A290-K342 WeakPolarHBondContact CB-O 3.46Å; G334-K342 CarbonylContact O-C 3.57Å; G334-K342 WeakPolarHBondContact O-CA 3.45Å; H335-K342 HydrophobicContact CB-CG 4.12Å; K340-K342 PolarHBondContact O-N 3.36Å
343W93.8Very high87.5Confident29 Ų2981.3 Ų81.311%0.1139%0.393CS..  trans-146.3161.8174.759.993.4000109.7T289 A290 T330 Y331 G334 H335 G336 L341T289-W343 HydrophobicContact CG2-CB 4.05Å; A290-W343 HydrophobicContact CB-CB 4.06Å; T330-W343 WeakPolarHBondContact O-CZ2 3.41Å; Y331-W343 AromaticContact CD2-NE1 3.41Å; Y331-W343 AromaticContact CE2-CD1 3.71Å; Y331-W343 AromaticContact CE2-NE1 3.61Å; Y331-W343 PolarHBondContact O-NE1 3.45Å; G334-W343 CarbonylContact C-O 3.53Å; G334-W343 VanDerWaalsContact CA-O 3.29Å; G334-W343 WeakPolarHBondContact CA-O 3.39Å; G334-W343 PolarHBondContact O-N 3.32Å; H335-W343 WeakPolarHBondContact O-CH2 3.38Å; G336-W343 VanDerWaalsContact N-CZ3 3.27Å; L341-W343 HydrophobicContact CD2-CE3 4.12Å; L341-W343 HydrophobicContact CD2-CZ3 3.92Å; L341-W343 HydrophobicContact CG-CE3 4.04Å; L341-W343 HydrophobicContact CG-CZ3 4.09Å
344R92.8Very high87.5Confident215 Ų21580.8 Ų80.881%0.81139%0.388SS*.PPolyproline II helixtrans-96.3118.1168.7-174177.7179.9-144.1-1.7107.9T289 D346T289-R344 WeakPolarHBondContact CG2-O 3.3Å; R344-D346 PolarHBondContact O-N 2.99Å
345P92.7Very high87.5Confident34 Ų3483.1 Ų83.122%0.22140%0.4CS..PPolyproline II helixtrans-58.2136.7178.2-22.633.2000111.2Y331 L350Y331-P345 HydrophobicContact CD1-CB 4.32Å; Y331-P345 HydrophobicContact CE1-CB 4.05Å; Y331-P345 WeakPolarHBondContact O-CG 3.5Å; P345-L350 HydrophobicContact CB-CD1 3.91Å; P345-L350 HydrophobicContact CB-CG 4.41Å
346D92.6Very high87.6Confident13 Ų1378.5 Ų78.57%0.0738%0.379CS..PPolyproline II helixtrans-87.1134.3173.2-179.5-92000111.2Y331 R344 E348 I349 L350Y331-D346 WeakPolarHBondContact OH-CB 3.33Å; Y331-D346 PolarHBondContact OH-N 3.19Å; R344-D346 PolarHBondContact O-N 2.99Å; D346-E348 WeakPolarHBondContact OD1-CA 3.29Å; D346-E348 WeakPolarHBondContact OD1-CB 3.23Å; D346-E348 PolarHBondContact OD1-N 3.11Å; D346-I349 HydrophobicContact CB-CB 4.3Å; D346-I349 HydrophobicContact CB-CD1 4.09Å; D346-I349 HydrophobicContact CB-CG1 4.16Å; D346-I349 PolarHBondContact O-N 2.9Å; D346-I349 PolarHBondContact OD1-N 3.37Å; D346-L350 WeakPolarHBondContact O-CG 3.35Å; D346-L350 PolarHBondContact O-N 3.02Å
347E90.9Very high87.8Confident125 Ų12577.7 Ų77.758%0.58437%0.37SS*.Hα-helixtrans-69.7-33.1-175.3-67.3-64153.400113K351E347-K351 WeakPolarHBondContact O-CB 3.35Å; E347-K351 VanDerWaalsContact O-CG 3.25Å; E347-K351 WeakPolarHBondContact O-CG 3.38Å; E347-K351 PolarHBondContact O-N 3.23Å
348E92.4Very high88.3Confident94 Ų9473.5 Ų73.544%0.43935%0.346SS..Hα-helixtrans-70.4-41.1177.7-61.7-171.4178.800110.7V301 D346 K351 A352V301-E348 HydrophobicContact CG1-CB 4.05Å; D346-E348 WeakPolarHBondContact OD1-CA 3.29Å; D346-E348 WeakPolarHBondContact OD1-CB 3.23Å; D346-E348 PolarHBondContact OD1-N 3.11Å; E348-K351 PolarHBondContact O-N 2.82Å; E348-A352 WeakPolarHBondContact O-CB 3.43Å; E348-A352 PolarHBondContact O-N 2.91Å
349I92.9Very high88.9Confident0 Ų066.7 Ų66.70%032%0.322CS..Hα-helixtrans-64.9-42.4175.9-62.9179.3000110.8L285 L294 V301 Y331 D346 K351 A352 L353L285-I349 HydrophobicContact CD1-CG2 4.07Å; L285-I349 HydrophobicContact CD2-CG2 4.39Å; L294-I349 HydrophobicContact CB-CD1 4.25Å; L294-I349 HydrophobicContact CD1-CD1 3.79Å; L294-I349 HydrophobicContact CG-CD1 4.47Å; V301-I349 HydrophobicContact CG1-CD1 4.44Å; V301-I349 HydrophobicContact CG1-CG1 4.02Å; Y331-I349 HydrophobicContact CD1-CG2 4.07Å; Y331-I349 HydrophobicContact CE1-CB 3.93Å; Y331-I349 HydrophobicContact CE1-CG2 3.69Å; D346-I349 HydrophobicContact CB-CB 4.3Å; D346-I349 HydrophobicContact CB-CD1 4.09Å; D346-I349 HydrophobicContact CB-CG1 4.16Å; D346-I349 PolarHBondContact O-N 2.9Å; D346-I349 PolarHBondContact OD1-N 3.37Å; I349-K351 PolarHBondContact O-N 2.89Å; I349-A352 PolarHBondContact O-N 3.27Å; I349-L353 HydrophobicContact CG2-CD1 4.07Å; I349-L353 HydrophobicContact CG2-CG 4.4Å; I349-L353 WeakPolarHBondContact O-CB 3.33Å; I349-L353 WeakPolarHBondContact O-CG 3.35Å; I349-L353 PolarHBondContact O-N 2.74Å
350L91.1Very high88.9Confident27 Ų2763.8 Ų63.814%0.14129%0.29CS..Hα-helixtrans-59.7-46175.9-74.8172.8000111.5L328 Y331 K332 P345 D346 L353 D354L328-L350 HydrophobicContact CD1-CD2 3.78Å; Y331-L350 HydrophobicContact CD1-CD2 3.81Å; Y331-L350 HydrophobicContact CD1-CG 4.16Å; Y331-L350 HydrophobicContact CE1-CD2 4.46Å; Y331-L350 HydrophobicContact CE1-CG 4.32Å; K332-L350 HydrophobicContact CB-CD2 4.15Å; P345-L350 HydrophobicContact CB-CD1 3.91Å; P345-L350 HydrophobicContact CB-CG 4.41Å; D346-L350 WeakPolarHBondContact O-CG 3.35Å; D346-L350 PolarHBondContact O-N 3.02Å; L350-L353 PolarHBondContact O-N 3.07Å; L350-D354 PolarHBondContact O-N 3.36Å
351K90.6Very high88.2Confident136 Ų13654.3 Ų54.359%0.59125%0.249SC*.Hα-helixtrans-61.7-43.2174.4-72170.6-173.9176.90111.8E347 E348 I349 L353 D354 V355E347-K351 WeakPolarHBondContact O-CB 3.35Å; E347-K351 VanDerWaalsContact O-CG 3.25Å; E347-K351 WeakPolarHBondContact O-CG 3.38Å; E347-K351 PolarHBondContact O-N 3.23Å; E348-K351 PolarHBondContact O-N 2.82Å; I349-K351 PolarHBondContact O-N 2.89Å; K351-L353 VanDerWaalsContact C-N 3.35Å; K351-L353 PolarHBondContact O-N 2.95Å; K351-D354 PolarHBondContact O-N 2.75Å; K351-V355 VanDerWaalsContact O-CG2 3.29Å; K351-V355 WeakPolarHBondContact O-CG2 3.32Å; K351-V355 PolarHBondContact O-N 3.02Å
352A92.5Very high87Confident5 Ų559.1 Ų59.14%0.04127%0.267CS..Hα-helixtrans-64.2-38.9179.200000112.1C305 L308 E348 I349 A356C305-A352 HydrophobicContact CB-CB 3.98Å; L308-A352 HydrophobicContact CB-CB 4.39Å; L308-A352 HydrophobicContact CD1-CB 4.29Å; E348-A352 WeakPolarHBondContact O-CB 3.43Å; E348-A352 PolarHBondContact O-N 2.91Å; I349-A352 PolarHBondContact O-N 3.27Å; A352-A356 WeakPolarHBondContact O-CB 3.48Å; A352-A356 PolarHBondContact O-N 3.23Å
353L91.6Very high85.7Confident0 Ų055.1 Ų55.10%026%0.257CS..Hα-helixtrans-66.1-42.4174.4-74.1170.4000112L282 L285 L308 I324 L328 Y331 I349 L350 K351 A356 F357L282-L353 HydrophobicContact CD2-CD2 3.67Å; L285-L353 HydrophobicContact CD1-CD1 3.87Å; L285-L353 HydrophobicContact CD1-CD2 4.2Å; L285-L353 HydrophobicContact CD1-CG 4.43Å; L308-L353 HydrophobicContact CD1-CD2 3.87Å; L308-L353 HydrophobicContact CD1-CG 4.07Å; L308-L353 HydrophobicContact CD2-CD2 4.15Å; I324-L353 HydrophobicContact CG2-CB 4.39Å; I324-L353 HydrophobicContact CG2-CD2 4.07Å; I324-L353 WeakPolarHBondContact CG2-O 3.15Å; L328-L353 HydrophobicContact CB-CB 4.29Å; L328-L353 HydrophobicContact CB-CD1 4.41Å; L328-L353 HydrophobicContact CD1-CB 3.84Å; L328-L353 HydrophobicContact CD1-CD1 4.27Å; Y331-L353 HydrophobicContact CD1-CD1 4.44Å; I349-L353 HydrophobicContact CG2-CD1 4.07Å; I349-L353 HydrophobicContact CG2-CG 4.4Å; I349-L353 WeakPolarHBondContact O-CB 3.33Å; I349-L353 WeakPolarHBondContact O-CG 3.35Å; I349-L353 PolarHBondContact O-N 2.74Å; L350-L353 PolarHBondContact O-N 3.07Å; K351-L353 VanDerWaalsContact C-N 3.35Å; K351-L353 PolarHBondContact O-N 2.95Å; L353-A356 PolarHBondContact O-N 3.04Å; L353-F357 WeakPolarHBondContact O-CB 3.34Å; L353-F357 PolarHBondContact O-N 3.32Å
354D88.4Confident84.3Confident49 Ų4955.1 Ų55.126%0.26226%0.26SS..Hα-helixtrans-62-46.3175-177.269.5000111.3L350 K351 A356 F357 Y358L350-D354 PolarHBondContact O-N 3.36Å; K351-D354 PolarHBondContact O-N 2.75Å; D354-A356 PolarHBondContact O-N 3.34Å; D354-F357 WeakPolarHBondContact O-CB 3.41Å; D354-F357 PolarHBondContact O-N 3.47Å; D354-Y358 WeakPolarHBondContact O-CD2 3.23Å; D354-Y358 WeakPolarHBondContact O-CE2 3.44Å; D354-Y358 PolarHBondContact O-N 3.17Å; D354-Y358 VanDerWaalsContact OD1-CE2 3.27Å; D354-Y358 WeakPolarHBondContact OD1-CE2 3.24Å; D354-Y358 PolarHBondContact OD1-OH 3.07Å; D354-Y358 WeakPolarHBondContact OD2-CE2 3.38Å
355V88.3Confident83.4Confident60 Ų6050.4 Ų50.436%0.36425%0.247SC..Hα-helixtrans-61.3-43.5173.4172.70000111.8K351 F357 Y358 K359K351-V355 VanDerWaalsContact O-CG2 3.29Å; K351-V355 WeakPolarHBondContact O-CG2 3.32Å; K351-V355 PolarHBondContact O-N 3.02Å; V355-F357 VanDerWaalsContact C-N 3.31Å; V355-F357 PolarHBondContact O-N 3Å; V355-Y358 PolarHBondContact O-N 2.96Å; V355-K359 HydrophobicContact CG1-CD 4.03Å; V355-K359 HydrophobicContact CG1-CG 4.29Å; V355-K359 WeakPolarHBondContact O-CG 3.34Å; V355-K359 PolarHBondContact O-N 3.41Å
356A88.9Confident83Confident0 Ų052.7 Ų52.70%026%0.262CS..Hα-helixtrans-62.4-40.1179.400000111.4L308 L314 I324 A352 L353 D354 Y358 K359 T360L308-A356 HydrophobicContact CB-CB 4.47Å; L308-A356 VanDerWaalsContact O-CB 3.22Å; L308-A356 WeakPolarHBondContact O-CB 3.27Å; L314-A356 HydrophobicContact CD1-CB 4.39Å; I324-A356 HydrophobicContact CD1-CB 3.85Å; I324-A356 WeakPolarHBondContact CD1-O 3.35Å; I324-A356 HydrophobicContact CG2-CB 4.29Å; A352-A356 WeakPolarHBondContact O-CB 3.48Å; A352-A356 PolarHBondContact O-N 3.23Å; L353-A356 PolarHBondContact O-N 3.04Å; D354-A356 PolarHBondContact O-N 3.34Å; A356-Y358 VanDerWaalsContact C-N 3.35Å; A356-Y358 PolarHBondContact O-N 3.23Å; A356-K359 PolarHBondContact O-N 3.06Å; A356-T360 WeakPolarHBondContact O-CG2 3.47Å; A356-T360 PolarHBondContact O-N 3.29Å; A356-T360 PolarHBondContact O-OG1 3.19Å
357F86.3Confident82.7Confident2 Ų253.2 Ų53.21%0.00927%0.265CS..Hα-helixtrans-55.7-49.3175.7175.6-112.9000110.8P321 I324 L325 L353 D354 V355 T360 F361 A398P321-F357 HydrophobicContact CB-CD2 3.91Å; P321-F357 HydrophobicContact CB-CE2 3.85Å; I324-F357 HydrophobicContact CB-CB 4.49Å; I324-F357 HydrophobicContact CG2-CB 3.91Å; L325-F357 HydrophobicContact CB-CD2 4.34Å; L325-F357 HydrophobicContact CB-CE2 4.11Å; L353-F357 WeakPolarHBondContact O-CB 3.34Å; L353-F357 PolarHBondContact O-N 3.32Å; D354-F357 WeakPolarHBondContact O-CB 3.41Å; D354-F357 PolarHBondContact O-N 3.47Å; V355-F357 VanDerWaalsContact C-N 3.31Å; V355-F357 PolarHBondContact O-N 3Å; F357-T360 PolarHBondContact O-N 3.37Å; F357-T360 PolarHBondContact O-OG1 2.92Å; F357-F361 HydrophobicContact CD1-CE1 4.35Å; F357-F361 AromaticContact CD1-CZ 3.88Å; F357-F361 HydrophobicContact CD1-CZ 3.88Å; F357-F361 HydrophobicContact CD2-CE1 4.14Å; F357-F361 HydrophobicContact CD2-CZ 4.39Å; F357-F361 HydrophobicContact CE1-CE1 4.07Å; F357-F361 HydrophobicContact CE1-CE2 4.18Å; F357-F361 AromaticContact CE1-CZ 3.36Å; F357-F361 HydrophobicContact CE1-CZ 3.36Å; F357-F361 AromaticContact CE2-CE1 3.84Å; F357-F361 HydrophobicContact CE2-CE1 3.84Å; F357-F361 AromaticContact CE2-CZ 3.92Å; F357-F361 HydrophobicContact CE2-CZ 3.92Å; F357-F361 HydrophobicContact CG-CE1 4.39Å; F357-F361 HydrophobicContact CG-CZ 4.37Å; F357-F361 AromaticContact CZ-CE1 3.81Å; F357-F361 HydrophobicContact CZ-CE1 3.81Å; F357-F361 AromaticContact CZ-CZ 3.39Å; F357-F361 HydrophobicContact CZ-CZ 3.39Å; F357-F361 WeakPolarHBondContact O-CD1 3.18Å; F357-F361 WeakPolarHBondContact O-CE1 3.11Å; F357-A398 HydrophobicContact CZ-CB 4.01Å
358Y81.1Confident82.5Confident35 Ų3550.3 Ų50.314%0.13727%0.269CS..Hα-helixtrans-72.9-30.9178.3-56.1-55.4000114.3D354 V355 A356 T360 F361 M401 R405 T429 L430D354-Y358 WeakPolarHBondContact O-CD2 3.23Å; D354-Y358 WeakPolarHBondContact O-CE2 3.44Å; D354-Y358 PolarHBondContact O-N 3.17Å; D354-Y358 VanDerWaalsContact OD1-CE2 3.27Å; D354-Y358 WeakPolarHBondContact OD1-CE2 3.24Å; D354-Y358 PolarHBondContact OD1-OH 3.07Å; D354-Y358 WeakPolarHBondContact OD2-CE2 3.38Å; V355-Y358 PolarHBondContact O-N 2.96Å; A356-Y358 VanDerWaalsContact C-N 3.35Å; A356-Y358 PolarHBondContact O-N 3.23Å; Y358-T360 PolarHBondContact O-N 3.4Å; Y358-F361 HydrophobicContact CD1-CD2 4.02Å; Y358-F361 AromaticContact CD1-CE2 3.54Å; Y358-F361 HydrophobicContact CD1-CE2 3.54Å; Y358-F361 HydrophobicContact CD1-CZ 4.09Å; Y358-F361 HydrophobicContact CE1-CE2 4.08Å; Y358-F361 HydrophobicContact CE1-CZ 4.49Å; Y358-F361 WeakPolarHBondContact O-CB 3.37Å; Y358-F361 PolarHBondContact O-N 3.19Å; Y358-F361 VanDerWaalsContact O-N 3.07Å; Y358-M401 HydrophobicContact CE1-CE 3.7Å; Y358-R405 VanDerWaalsContact CD1-CZ 3.44Å; Y358-R405 VanDerWaalsContact CE1-NH2 3.29Å; Y358-T429 WeakPolarHBondContact OH-CA 3.09Å; Y358-L430 PolarHBondContact OH-N 3.46Å; Y358-L430 VanDerWaalsContact OH-N 3.11Å
359K81.2Confident82.5Confident69 Ų6950 Ų5030%0.327%0.266SS..Hα-helixtrans-63.8-30.2173.2-76.4-177-179.5-177.90112.2C309 V355 A356 F361C309-K359 WeakPolarHBondContact O-CD 3.29Å; C309-K359 PolarHBondContact O-NZ 2.85Å; V355-K359 HydrophobicContact CG1-CD 4.03Å; V355-K359 HydrophobicContact CG1-CG 4.29Å; V355-K359 WeakPolarHBondContact O-CG 3.34Å; V355-K359 PolarHBondContact O-N 3.41Å; A356-K359 PolarHBondContact O-N 3.06Å; K359-F361 PolarHBondContact O-N 3.47Å
360T75.1Confident82.6Confident9 Ų953.4 Ų53.46%0.05528%0.279CS..G310 helixtrans-69.8-11173.954.70000114.2L314 I319 P321 I324 A356 F357 Y358 T363L314-T360 HydrophobicContact CD1-CG2 4.04Å; I319-T360 WeakPolarHBondContact O-CG2 3.5Å; P321-T360 WeakPolarHBondContact CA-OG1 3.44Å; P321-T360 WeakPolarHBondContact CB-OG1 3.45Å; P321-T360 WeakPolarHBondContact CG-OG1 3.17Å; I324-T360 HydrophobicContact CD1-CG2 3.49Å; I324-T360 VanDerWaalsContact CD1-CG2 3.49Å; A356-T360 WeakPolarHBondContact O-CG2 3.47Å; A356-T360 PolarHBondContact O-N 3.29Å; A356-T360 PolarHBondContact O-OG1 3.19Å; F357-T360 PolarHBondContact O-N 3.37Å; F357-T360 PolarHBondContact O-OG1 2.92Å; Y358-T360 PolarHBondContact O-N 3.4Å; T360-T363 PolarHBondContact O-OG1 2.71Å
361F70.9Confident82.7Confident9 Ų952.1 Ų52.14%0.03927%0.273CS..G310 helixtrans-81.2-29.2177.7-61-6.8000113.5P321 F357 Y358 K359 T363 V364 M401 V402P321-F361 HydrophobicContact CB-CD1 4.24Å; P321-F361 HydrophobicContact CB-CE1 3.82Å; P321-F361 HydrophobicContact CG-CD1 3.95Å; P321-F361 HydrophobicContact CG-CE1 4.01Å; F357-F361 HydrophobicContact CD1-CE1 4.35Å; F357-F361 AromaticContact CD1-CZ 3.88Å; F357-F361 HydrophobicContact CD1-CZ 3.88Å; F357-F361 HydrophobicContact CD2-CE1 4.14Å; F357-F361 HydrophobicContact CD2-CZ 4.39Å; F357-F361 HydrophobicContact CE1-CE1 4.07Å; F357-F361 HydrophobicContact CE1-CE2 4.18Å; F357-F361 AromaticContact CE1-CZ 3.36Å; F357-F361 HydrophobicContact CE1-CZ 3.36Å; F357-F361 AromaticContact CE2-CE1 3.84Å; F357-F361 HydrophobicContact CE2-CE1 3.84Å; F357-F361 AromaticContact CE2-CZ 3.92Å; F357-F361 HydrophobicContact CE2-CZ 3.92Å; F357-F361 HydrophobicContact CG-CE1 4.39Å; F357-F361 HydrophobicContact CG-CZ 4.37Å; F357-F361 AromaticContact CZ-CE1 3.81Å; F357-F361 HydrophobicContact CZ-CE1 3.81Å; F357-F361 AromaticContact CZ-CZ 3.39Å; F357-F361 HydrophobicContact CZ-CZ 3.39Å; F357-F361 WeakPolarHBondContact O-CD1 3.18Å; F357-F361 WeakPolarHBondContact O-CE1 3.11Å; Y358-F361 HydrophobicContact CD1-CD2 4.02Å; Y358-F361 AromaticContact CD1-CE2 3.54Å; Y358-F361 HydrophobicContact CD1-CE2 3.54Å; Y358-F361 HydrophobicContact CD1-CZ 4.09Å; Y358-F361 HydrophobicContact CE1-CE2 4.08Å; Y358-F361 HydrophobicContact CE1-CZ 4.49Å; Y358-F361 WeakPolarHBondContact O-CB 3.37Å; Y358-F361 PolarHBondContact O-N 3.19Å; Y358-F361 VanDerWaalsContact O-N 3.07Å; K359-F361 PolarHBondContact O-N 3.47Å; F361-T363 PolarHBondContact O-N 3.42Å; F361-V364 PolarHBondContact O-N 2.91Å; F361-M401 HydrophobicContact CE2-CB 4.38Å; F361-V402 HydrophobicContact CD1-CG2 3.64Å; F361-V402 HydrophobicContact CD2-CG2 4.35Å; F361-V402 HydrophobicContact CE1-CG2 3.3Å; F361-V402 HydrophobicContact CE2-CG2 4.05Å; F361-V402 HydrophobicContact CG-CG2 4.15Å; F361-V402 HydrophobicContact CZ-CG2 3.5Å
362K62.3Low82.9Confident167 Ų16745.7 Ų45.773%0.72625%0.245SC*.G310 helixtrans-68.46.7-176.5-71.1-171.7176-1750114.6V364K362-V364 VanDerWaalsContact C-N 3.33Å
363T62.3Low82.9Confident80 Ų8045.4 Ų45.449%0.49124%0.243SC..G310 helixtrans-88.9-0.817959.50000113.3K315 T360 F361K315-T363 HydrophobicContact CD-CG2 4.38Å; K315-T363 HydrophobicContact CG-CG2 4.2Å; T360-T363 PolarHBondContact O-OG1 2.71Å; F361-T363 PolarHBondContact O-N 3.42Å
364V66.1Low82.8Confident28 Ų2845.5 Ų45.517%0.1724%0.243CC..SBendtrans-111.8131.6-168.3-170.70000109.8F361 K362 T406 L527F361-V364 PolarHBondContact O-N 2.91Å; K362-V364 VanDerWaalsContact C-N 3.33Å; V364-T406 HydrophobicContact CB-CG2 4.11Å; V364-T406 HydrophobicContact CG1-CG2 3.95Å; V364-L527 HydrophobicContact CB-CD1 4.39Å; V364-L527 HydrophobicContact CG1-CB 3.83Å; V364-L527 HydrophobicContact CG1-CD1 4.1Å; V364-L527 HydrophobicContact CG1-CG 4.47Å; V364-L527 HydrophobicContact CG2-CB 4.46Å; V364-L527 HydrophobicContact CG2-CD1 3.43Å; V364-L527 VanDerWaalsContact CG2-CD1 3.43Å
365E72.3Confident82.8Confident117 Ų11743.1 Ų43.155%0.54723%0.23SC..  trans-85.1132.1178.5-66.8-174.1166.800111R531E365-R531 IonicContact OE2-CZ 3.27Å; E365-R531 IonicContact OE2-NH1 2.92Å; E365-R531 PolarHBondContact OE2-NH1 3.32Å; E365-R531 IonicContact OE2-NH2 2.7Å; E365-R531 PolarHBondContact OE2-NH2 3.27Å
366P84.3Confident82.8Confident82 Ų8240.3 Ų40.353%0.53221%0.213SC..  trans-74.5150.7178.931-35000112.4T406P366-T406 HydrophobicContact CB-CG2 4.27Å; P366-T406 WeakPolarHBondContact CB-O 3.49Å
367T87.5Confident82.5Confident23 Ų2341.3 Ų41.314%0.14122%0.219CC..  trans-91.1-24.7172.464.60000112.4K369 F371 E407 R531 T534 L535T367-K369 PolarHBondContact O-N 2.92Å; T367-K369 PolarHBondContact OG1-N 3.36Å; T367-F371 WeakPolarHBondContact OG1-CE2 3.36Å; T367-F371 WeakPolarHBondContact OG1-CZ 3.29Å; T367-E407 VanDerWaalsContact CB-OE1 3.31Å; T367-E407 WeakPolarHBondContact CB-OE1 3.23Å; T367-E407 PolarHBondContact N-OE1 3.46Å; T367-E407 PolarHBondContact N-OE2 3.22Å; T367-E407 VanDerWaalsContact OG1-CD 3.24Å; T367-E407 PolarHBondContact OG1-OE1 3.05Å; T367-E407 PolarHBondContact OG1-OE2 3.07Å; T367-R531 HydrophobicContact CG2-CB 4.04Å; T367-R531 HydrophobicContact CG2-CG 3.79Å; T367-T534 HydrophobicContact CG2-CG2 3.97Å; T367-L535 HydrophobicContact CG2-CD1 4.34Å; T367-L535 HydrophobicContact CG2-CD2 4.42Å; T367-L535 HydrophobicContact CG2-CG 4.14Å
368G87.5Confident82.2Confident65 Ų6541.3 Ų41.367%0.6722%0.219SC*.  trans71.915.4-177.100000114.3E407G368-E407 PolarHBondContact N-OE2 3.5Å
369K92.3Very high82.2Confident87 Ų8741.5 Ų41.538%0.37823%0.229SC..  trans-87.3167174.6-64.1-61.1-171.1171.70111.6T367 F371 D462 T534T367-K369 PolarHBondContact O-N 2.92Å; T367-K369 PolarHBondContact OG1-N 3.36Å; K369-F371 HydrophobicContact CB-CD2 4.48Å; K369-F371 HydrophobicContact CB-CE2 3.86Å; K369-F371 HydrophobicContact CB-CZ 4.46Å; K369-F371 VanDerWaalsContact O-CD2 3.24Å; K369-F371 WeakPolarHBondContact O-CD2 3.35Å; K369-D462 HydrophobicContact CB-CB 4.2Å; K369-T534 HydrophobicContact CB-CG2 3.89Å; K369-T534 HydrophobicContact CG-CG2 3.49Å; K369-T534 VanDerWaalsContact CG-CG2 3.49Å
370R93.8Very high82.2Confident71 Ų7138.3 Ų38.327%0.26822%0.215SC..  trans-87114.1177.1-57.8172.5-68.1-174.89.3110.2D409 P460 D462 V463R370-D409 CarbonylContact C-O 3.58Å; R370-D409 WeakPolarHBondContact CA-O 3.2Å; R370-D409 HydrophobicContact CG-CB 4.34Å; R370-D409 WeakPolarHBondContact CG-OD2 3.41Å; R370-P460 VanDerWaalsContact NH1-CB 3.33Å; R370-D462 WeakPolarHBondContact CB-OD2 3.35Å; R370-D462 WeakPolarHBondContact CG-OD2 3.49Å; R370-D462 IonicContact CZ-OD1 3.27Å; R370-D462 IonicContact CZ-OD2 2.71Å; R370-D462 PolarHBondContact N-OD2 2.95Å; R370-D462 IonicContact NE-OD1 2.87Å; R370-D462 PolarHBondContact NE-OD1 2.84Å; R370-D462 IonicContact NE-OD2 2.74Å; R370-D462 PolarHBondContact NE-OD2 3.4Å; R370-D462 IonicContact NH2-OD1 2.84Å; R370-D462 PolarHBondContact NH2-OD1 2.68Å; R370-D462 IonicContact NH2-OD2 3.06Å; R370-D462 PolarHBondContact O-N 3.42Å; R370-V463 PolarHBondContact O-N 2.91Å
371F93.9Very high82.5Confident1 Ų137.9 Ų37.90%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-101.9141.1-179.1-72.3-98.5000111.5T367 K369 L373 V403 E407 D409 S410 Y411 V463 I465 I530 T534T367-F371 WeakPolarHBondContact OG1-CE2 3.36Å; T367-F371 WeakPolarHBondContact OG1-CZ 3.29Å; K369-F371 HydrophobicContact CB-CD2 4.48Å; K369-F371 HydrophobicContact CB-CE2 3.86Å; K369-F371 HydrophobicContact CB-CZ 4.46Å; K369-F371 VanDerWaalsContact O-CD2 3.24Å; K369-F371 WeakPolarHBondContact O-CD2 3.35Å; F371-L373 HydrophobicContact CB-CD2 4.22Å; F371-V403 HydrophobicContact CD1-CG1 4.21Å; F371-V403 HydrophobicContact CG-CG1 4.33Å; F371-E407 HydrophobicContact CD2-CB 3.79Å; F371-E407 HydrophobicContact CD2-CG 3.61Å; F371-E407 HydrophobicContact CE2-CB 4.09Å; F371-E407 HydrophobicContact CE2-CG 3.43Å; F371-E407 VanDerWaalsContact CE2-CG 3.43Å; F371-E407 HydrophobicContact CG-CG 4.41Å; F371-E407 HydrophobicContact CZ-CG 4.09Å; F371-D409 PolarHBondContact N-O 3.45Å; F371-S410 CarbonylContact O-C 3.48Å; F371-S410 VanDerWaalsContact O-CA 3.3Å; F371-S410 WeakPolarHBondContact O-CA 3.47Å; F371-Y411 PolarHBondContact O-N 3.14Å; F371-V463 CarbonylContact C-O 3.56Å; F371-V463 WeakPolarHBondContact CA-O 3.35Å; F371-V463 HydrophobicContact CD1-CB 3.77Å; F371-V463 HydrophobicContact CD1-CG1 3.93Å; F371-V463 HydrophobicContact CE1-CB 3.78Å; F371-V463 HydrophobicContact CE1-CG1 3.79Å; F371-V463 HydrophobicContact CE1-CG2 4.1Å; F371-V463 HydrophobicContact CG-CB 4.44Å; F371-V463 HydrophobicContact CZ-CB 4.45Å; F371-V463 HydrophobicContact CZ-CG2 4.33Å; F371-I465 HydrophobicContact CD1-CD1 3.84Å; F371-I465 HydrophobicContact CD1-CG1 4.19Å; F371-I465 HydrophobicContact CE1-CD1 4.07Å; F371-I530 HydrophobicContact CE1-CG2 4.04Å; F371-T534 HydrophobicContact CZ-CG2 3.97Å
372L93.7Very high83Confident0 Ų042.1 Ų42.10%024%0.235CC..EExtended strand (participates in β ladder)trans-119.5112.6164.3-170.6155.9000108.5A374 Y411 V413 P450 W453 A454 A461 V463 F464 I465L372-A374 HydrophobicContact CD2-CB 4.31Å; L372-Y411 CarbonylContact C-O 3.57Å; L372-Y411 WeakPolarHBondContact CA-O 3.11Å; L372-V413 HydrophobicContact CD2-CG2 3.6Å; L372-V413 HydrophobicContact CG-CG2 4.4Å; L372-P450 HydrophobicContact CD2-CB 4.05Å; L372-W453 HydrophobicContact CD1-CE3 4.16Å; L372-W453 HydrophobicContact CD1-CZ3 3.95Å; L372-A454 HydrophobicContact CD1-CB 3.72Å; L372-A461 HydrophobicContact CB-CB 3.85Å; L372-A461 HydrophobicContact CD1-CB 4.48Å; L372-V463 PolarHBondContact N-O 2.92Å; L372-F464 HydrophobicContact CB-CD1 4.11Å; L372-F464 HydrophobicContact CB-CE1 4.23Å; L372-F464 HydrophobicContact CD1-CD1 4.32Å; L372-F464 HydrophobicContact CD1-CE1 3.77Å; L372-F464 HydrophobicContact CD1-CZ 4.49Å; L372-F464 HydrophobicContact CD2-CD1 3.82Å; L372-F464 HydrophobicContact CD2-CE1 4.07Å; L372-F464 HydrophobicContact CG-CD1 4.31Å; L372-F464 HydrophobicContact CG-CE1 4.25Å; L372-F464 CarbonylContact O-C 3.54Å; L372-F464 WeakPolarHBondContact O-CA 3.34Å; L372-I465 PolarHBondContact O-N 2.89Å
373L92.4Very high83.8Confident0 Ų035 Ų350%020%0.204CC..EExtended strand (participates in β ladder)trans-100.4111.8-176.5-52.1179.4000108.7F371 C400 V403 T404 Y411 V412 V413 I465 F467F371-L373 HydrophobicContact CB-CD2 4.22Å; L373-C400 WeakPolarHBondContact CD1-O 3.24Å; L373-V403 HydrophobicContact CD1-CB 3.76Å; L373-V403 HydrophobicContact CD1-CG1 3.89Å; L373-V403 HydrophobicContact CD2-CB 4.19Å; L373-V403 HydrophobicContact CD2-CG1 3.81Å; L373-V403 HydrophobicContact CG-CG1 4.43Å; L373-T404 WeakPolarHBondContact CD1-OG1 3.46Å; L373-Y411 PolarHBondContact N-O 2.87Å; L373-V412 HydrophobicContact CB-CG2 4.32Å; L373-V412 HydrophobicContact CD1-CG2 4.18Å; L373-V412 WeakPolarHBondContact O-CA 3.06Å; L373-V413 WeakPolarHBondContact O-CG2 3.26Å; L373-V413 PolarHBondContact O-N 3.41Å; L373-V413 VanDerWaalsContact O-O 3.12Å; L373-I465 HydrophobicContact CD2-CB 3.73Å; L373-I465 HydrophobicContact CD2-CD1 3.71Å; L373-I465 HydrophobicContact CD2-CG1 3.81Å; L373-F467 HydrophobicContact CB-CE2 4.45Å
374A90.6Very high84.7Confident1 Ų137.7 Ų37.71%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-107.2115.9-179.900000110.5L372 V413 F415 P450 I465 V466 F467L372-A374 HydrophobicContact CD2-CB 4.31Å; A374-V413 WeakPolarHBondContact CA-O 3.33Å; A374-V413 HydrophobicContact CB-CG2 3.82Å; A374-F415 HydrophobicContact CB-CD1 3.94Å; A374-F415 HydrophobicContact CB-CE1 3.83Å; A374-P450 HydrophobicContact CB-CB 3.71Å; A374-P450 HydrophobicContact CB-CG 3.39Å; A374-I465 PolarHBondContact N-O 2.82Å; A374-V466 HydrophobicContact CB-CG2 4.24Å; A374-V466 WeakPolarHBondContact O-CA 3.4Å; A374-F467 PolarHBondContact O-N 2.78Å
375V89Confident85.2Confident0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-101.8118.9179.1178.40000110V377 A396 C400 V413 A414 F415 M437 F467V375-V377 HydrophobicContact CG1-CG1 4.18Å; V375-V377 PolarHBondContact O-N 2.84Å; V375-A396 HydrophobicContact CG1-CB 3.8Å; V375-C400 HydrophobicContact CG2-CB 4.04Å; V375-V413 PolarHBondContact N-O 2.93Å; V375-A414 VanDerWaalsContact O-CA 3.23Å; V375-A414 WeakPolarHBondContact O-CA 3.32Å; V375-F415 WeakPolarHBondContact O-CD1 3.11Å; V375-F415 PolarHBondContact O-N 3.37Å; V375-M437 HydrophobicContact CB-CE 4.12Å; V375-M437 HydrophobicContact CG1-CE 4.22Å; V375-M437 HydrophobicContact CG1-SD 4.05Å; V375-M437 HydrophobicContact CG2-CE 3.84Å; V375-F467 HydrophobicContact CG2-CD2 3.95Å
376D87.4Confident85.1Confident0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-69.3122.1170.4-171-18.2000109.4S378 M381 F415 T445 F467 T468D376-S378 WeakPolarHBondContact OD1-CB 3.46Å; D376-S378 PolarHBondContact OD1-N 2.84Å; D376-S378 PolarHBondContact OD1-OG 2.82Å; D376-M381 HydrophobicContact CB-CE 4.21Å; D376-M381 HydrophobicContact CB-CG 3.93Å; D376-M381 HydrophobicContact CB-SD 4.33Å; D376-M381 WeakPolarHBondContact O-CE 3.45Å; D376-M381 WeakPolarHBondContact O-CG 3.29Å; D376-F415 HydrophobicContact CB-CE1 4.03Å; D376-F415 HydrophobicContact CB-CE2 4.18Å; D376-F415 HydrophobicContact CB-CZ 3.7Å; D376-T445 WeakPolarHBondContact OD2-CG2 3.35Å; D376-F467 WeakPolarHBondContact CB-O 3.42Å; D376-F467 PolarHBondContact N-O 2.83Å; D376-T468 WeakPolarHBondContact OD2-CB 3.5Å; D376-T468 PolarHBondContact OD2-OG1 3.49Å
377V82.2Confident84.3Confident21 Ų2129.4 Ų29.413%0.12717%0.168CC..  trans-116.218.4177.7-64.80000111.8V375 A414 F415 M437 I440V375-V377 HydrophobicContact CG1-CG1 4.18Å; V375-V377 PolarHBondContact O-N 2.84Å; V377-A414 HydrophobicContact CG1-CB 4.08Å; V377-A414 HydrophobicContact CG2-CB 4.4Å; V377-F415 WeakPolarHBondContact CG2-O 3.4Å; V377-F415 PolarHBondContact N-O 2.94Å; V377-M437 HydrophobicContact CG1-CB 4.1Å; V377-I440 HydrophobicContact CG2-CB 3.95Å; V377-I440 HydrophobicContact CG2-CD1 4.16Å; V377-I440 HydrophobicContact CG2-CG2 3.69Å
378S80.9Confident83.6Confident2 Ų229.4 Ų29.41%0.01417%0.169CC..SBendtrans-61.5165.5173.866.50000112.3D376 S380 M381 T445D376-S378 WeakPolarHBondContact OD1-CB 3.46Å; D376-S378 PolarHBondContact OD1-N 2.84Å; D376-S378 PolarHBondContact OD1-OG 2.82Å; S378-S380 PolarHBondContact O-N 2.79Å; S378-S380 PolarHBondContact OG-OG 3.35Å; S378-M381 WeakPolarHBondContact O-CB 3.2Å; S378-M381 PolarHBondContact O-N 2.89Å; S378-M381 VanDerWaalsContact O-N 3.12Å; S378-T445 VanDerWaalsContact CB-OG1 3.3Å; S378-T445 WeakPolarHBondContact CB-OG1 3.07Å; S378-T445 PolarHBondContact OG-OG1 3.36Å
379A80.7Confident83Confident40 Ų4028 Ų2833%0.33115%0.146SC..G310 helixtrans-60-31.5-17600000113.2M381 N382A379-M381 PolarHBondContact O-N 3.17Å; A379-N382 WeakPolarHBondContact O-CB 3.46Å; A379-N382 PolarHBondContact O-N 3.38Å
380S80.7Confident82.5Confident1 Ų124 Ų241%0.00713%0.129CC..G310 helixtrans-66.9-25.9-179.765.30000112.7S378 N382 Q383 D469S378-S380 PolarHBondContact O-N 2.79Å; S378-S380 PolarHBondContact OG-OG 3.35Å; S380-N382 PolarHBondContact O-N 2.65Å; S380-N382 VanDerWaalsContact O-N 3.15Å; S380-Q383 WeakPolarHBondContact O-CB 3.41Å; S380-Q383 VanDerWaalsContact O-CG 3.25Å; S380-Q383 WeakPolarHBondContact O-CG 3.29Å; S380-Q383 PolarHBondContact O-N 3.23Å; S380-Q383 VanDerWaalsContact O-N 3.13Å; S380-Q383 PolarHBondContact O-NE2 2.88Å; S380-D469 WeakPolarHBondContact CB-OD2 3.34Å; S380-D469 PolarHBondContact OG-OD2 3.22Å
381M81.4Confident82Confident1 Ų122.3 Ų22.31%0.00513%0.125CC..G310 helixtrans-70.6-6.1176.6-68-69.8-7600114D376 S378 A379 Q383 A392 S393 A396 M501D376-M381 HydrophobicContact CB-CE 4.21Å; D376-M381 HydrophobicContact CB-CG 3.93Å; D376-M381 HydrophobicContact CB-SD 4.33Å; D376-M381 WeakPolarHBondContact O-CE 3.45Å; D376-M381 WeakPolarHBondContact O-CG 3.29Å; S378-M381 WeakPolarHBondContact O-CB 3.2Å; S378-M381 PolarHBondContact O-N 2.89Å; S378-M381 VanDerWaalsContact O-N 3.12Å; A379-M381 PolarHBondContact O-N 3.17Å; M381-Q383 PolarHBondContact O-N 3.11Å; M381-A392 HydrophobicContact CE-CB 4.06Å; M381-A392 WeakPolarHBondContact O-CB 3.48Å; M381-A392 PolarHBondContact O-N 3.05Å; M381-A392 HydrophobicContact SD-CB 3.92Å; M381-S393 PolarHBondContact O-N 3.28Å; M381-A396 HydrophobicContact CE-CB 4.1Å; M381-M501 HydrophobicContact CE-CB 4.37Å; M381-M501 HydrophobicContact CE-CG 3.96Å; M381-M501 HydrophobicContact SD-CB 4.31Å; M381-M501 HydrophobicContact SD-CG 4.45Å
382N81.6Confident81.5Confident98 Ų9822.3 Ų22.352%0.52413%0.125SC..G310 helixtrans-76.6-5.7169.1-75-44.5000114.1A379 S380A379-N382 WeakPolarHBondContact O-CB 3.46Å; A379-N382 PolarHBondContact O-N 3.38Å; S380-N382 PolarHBondContact O-N 2.65Å; S380-N382 VanDerWaalsContact O-N 3.15Å
383Q78.9Confident81Confident16 Ų1623.3 Ų23.38%0.07513%0.132CC..SBendtrans-58.4143.6175.167.6-163.3-32.700112.1T45 S380 M381 N391 A392T45-Q383 VanDerWaalsContact CB-OE1 3.3Å; S380-Q383 WeakPolarHBondContact O-CB 3.41Å; S380-Q383 VanDerWaalsContact O-CG 3.25Å; S380-Q383 WeakPolarHBondContact O-CG 3.29Å; S380-Q383 PolarHBondContact O-N 3.23Å; S380-Q383 VanDerWaalsContact O-N 3.13Å; S380-Q383 PolarHBondContact O-NE2 2.88Å; M381-Q383 PolarHBondContact O-N 3.11Å; Q383-N391 CarbonylContact O-C 3.49Å; Q383-N391 VanDerWaalsContact O-CA 3.31Å; Q383-N391 WeakPolarHBondContact O-CA 3.46Å; Q383-A392 HydrophobicContact CG-CB 3.99Å; Q383-A392 PolarHBondContact O-N 2.95Å
384R81.5Confident80.5Confident138 Ų13824.2 Ų24.252%0.52114%0.138SC..BIsolated β-bridgetrans-76.1138.6177.8-61.2-63.3-173.4156.15109.8I389 L390 N391R384-I389 PolarHBondContact NH1-O 2.82Å; R384-L390 WeakPolarHBondContact CA-O 3.37Å; R384-N391 PolarHBondContact NH1-OD1 2.68Å
385V77.8Confident80.1Confident7 Ų724.2 Ų24.24%0.04214%0.137CC..SBendtrans-101.7135.9176.3-173.90000110.7F39 G387 S388 L390 A392 F522F39-V385 HydrophobicContact CD1-CG1 3.6Å; F39-V385 HydrophobicContact CE1-CG1 3.77Å; V385-G387 PolarHBondContact O-N 2.77Å; V385-S388 VanDerWaalsContact O-CB 3.23Å; V385-S388 WeakPolarHBondContact O-CB 3.25Å; V385-S388 PolarHBondContact O-N 2.79Å; V385-S388 PolarHBondContact O-OG 2.89Å; V385-L390 PolarHBondContact N-O 3.5Å; V385-A392 HydrophobicContact CG2-CB 3.94Å; V385-F522 HydrophobicContact CB-CE1 4.12Å; V385-F522 HydrophobicContact CB-CE2 4.02Å; V385-F522 HydrophobicContact CB-CZ 3.44Å; V385-F522 VanDerWaalsContact CB-CZ 3.44Å; V385-F522 HydrophobicContact CG1-CD1 4.13Å; V385-F522 HydrophobicContact CG1-CD2 4.13Å; V385-F522 HydrophobicContact CG1-CE1 3.59Å; V385-F522 HydrophobicContact CG1-CE2 3.53Å; V385-F522 HydrophobicContact CG1-CG 4.3Å; V385-F522 HydrophobicContact CG1-CZ 3.18Å; V385-F522 HydrophobicContact CG2-CE2 3.88Å; V385-F522 HydrophobicContact CG2-CZ 3.71Å
386L69.2Low80Confident11 Ų1124.2 Ų24.26%0.05814%0.137CC..THydrogen-bonded Turntrans56.432.4174.6-71.9159000113.8C38 F39 T87 K88 S388 F522C38-L386 WeakPolarHBondContact O-CD2 3.33Å; F39-L386 VanDerWaalsContact O-CD2 3.23Å; F39-L386 WeakPolarHBondContact O-CD2 3.45Å; T87-L386 WeakPolarHBondContact OG1-CD1 3.42Å; K88-L386 HydrophobicContact CB-CD2 4.36Å; K88-L386 HydrophobicContact CD-CD2 3.94Å; K88-L386 VanDerWaalsContact CE-O 3.24Å; K88-L386 WeakPolarHBondContact CE-O 3.33Å; K88-L386 HydrophobicContact CG-CD2 4.11Å; K88-L386 PolarHBondContact NZ-O 3.47Å; L386-S388 PolarHBondContact O-N 2.74Å; L386-F522 HydrophobicContact CD1-CD1 3.76Å; L386-F522 HydrophobicContact CD1-CE1 4.06Å
387G67.1Low79.9Confident35 Ų3524.2 Ų24.236%0.36114%0.137SC..THydrogen-bonded Turntrans56.721.8-174.600000113.7V385V385-G387 PolarHBondContact O-N 2.77Å
388S73.3Confident80Confident22 Ų2223.2 Ų23.215%0.15413%0.132CC..SBendtrans-91178.2-179.779.30000111.6V385 L386 L390V385-S388 VanDerWaalsContact O-CB 3.23Å; V385-S388 WeakPolarHBondContact O-CB 3.25Å; V385-S388 PolarHBondContact O-N 2.79Å; V385-S388 PolarHBondContact O-OG 2.89Å; L386-S388 PolarHBondContact O-N 2.74Å; S388-L390 PolarHBondContact O-N 3.01Å; S388-L390 WeakPolarHBondContact OG-CB 3.36Å; S388-L390 PolarHBondContact OG-N 3.04Å
389I75.3Confident80.2Confident37 Ų3723.3 Ų23.319%0.1913%0.132CC..SBendtrans-80.51170.160.5178.4000113E329 T330 T333 L337 R384E329-I389 HydrophobicContact CB-CD1 3.39Å; E329-I389 HydrophobicContact CB-CG1 4.06Å; T330-I389 VanDerWaalsContact N-CD1 3.25Å; T333-I389 HydrophobicContact CG2-CD1 4.24Å; L337-I389 HydrophobicContact CD1-CG2 3.38Å; R384-I389 PolarHBondContact NH1-O 2.82Å
390L80.7Confident80.4Confident3 Ų321.4 Ų21.42%0.01612%0.116CC..  trans-93.3141-179.8-55.6178.1000110.3L325 I326 E329 R384 V385 S388 T394 V395L325-L390 HydrophobicContact CD2-CD1 3.85Å; L325-L390 HydrophobicContact CG-CD1 3.79Å; L325-L390 HydrophobicContact CG-CD2 4.19Å; I326-L390 HydrophobicContact CG1-CD1 3.6Å; I326-L390 HydrophobicContact CG1-CG 4.43Å; E329-L390 HydrophobicContact CB-CD2 3.97Å; E329-L390 HydrophobicContact CG-CD2 3.64Å; R384-L390 WeakPolarHBondContact CA-O 3.37Å; V385-L390 PolarHBondContact N-O 3.5Å; S388-L390 PolarHBondContact O-N 3.01Å; S388-L390 WeakPolarHBondContact OG-CB 3.36Å; S388-L390 PolarHBondContact OG-N 3.04Å; L390-T394 HydrophobicContact CD2-CG2 4.14Å; L390-V395 HydrophobicContact CB-CG2 4.01Å; L390-V395 HydrophobicContact CD1-CG2 4.02Å
391N83.3Confident80.7Confident35 Ų3521.5 Ų21.519%0.18712%0.116CC..BIsolated β-bridgetrans-92.4159.1174.9-53.715.1000108.9Q383 R384 S393 T394 V395Q383-N391 CarbonylContact O-C 3.49Å; Q383-N391 VanDerWaalsContact O-CA 3.31Å; Q383-N391 WeakPolarHBondContact O-CA 3.46Å; R384-N391 PolarHBondContact NH1-OD1 2.68Å; N391-S393 VanDerWaalsContact C-N 3.3Å; N391-S393 PolarHBondContact O-N 2.85Å; N391-T394 WeakPolarHBondContact O-CB 3.41Å; N391-T394 PolarHBondContact O-N 2.73Å; N391-T394 VanDerWaalsContact O-N 3.11Å; N391-V395 PolarHBondContact O-N 2.8Å
392A83.4Confident80.7Confident0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-59.3-41.2177.800000111.9M381 Q383 V385 T394 V395 A396 M501M381-A392 HydrophobicContact CE-CB 4.06Å; M381-A392 WeakPolarHBondContact O-CB 3.48Å; M381-A392 PolarHBondContact O-N 3.05Å; M381-A392 HydrophobicContact SD-CB 3.92Å; Q383-A392 HydrophobicContact CG-CB 3.99Å; Q383-A392 PolarHBondContact O-N 2.95Å; V385-A392 HydrophobicContact CG2-CB 3.94Å; A392-T394 VanDerWaalsContact C-N 3.31Å; A392-T394 PolarHBondContact O-N 3.3Å; A392-V395 PolarHBondContact O-N 2.78Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 3.46Å; A392-M501 HydrophobicContact CB-CB 4.1Å; A392-M501 VanDerWaalsContact O-CE 3.3Å; A392-M501 WeakPolarHBondContact O-CE 3.42Å
393S82.7Confident80.9Confident22 Ų2217.3 Ų17.315%0.1549%0.094CC..Hα-helixtrans-58.1-40.8173.558.50000112.9M381 N391 V395 A396 A397M381-S393 PolarHBondContact O-N 3.28Å; N391-S393 VanDerWaalsContact C-N 3.3Å; N391-S393 PolarHBondContact O-N 2.85Å; S393-V395 VanDerWaalsContact C-N 3.26Å; S393-V395 PolarHBondContact O-N 2.89Å; S393-A396 PolarHBondContact O-N 2.81Å; S393-A397 WeakPolarHBondContact O-CB 3.39Å; S393-A397 PolarHBondContact O-N 3.36Å
394T82.8Confident81.2Confident19 Ų1917 Ų1712%0.1179%0.093CC..Hα-helixtrans-62.4-37.6178.4-550000112.1L390 N391 A392 A398 L434L390-T394 HydrophobicContact CD2-CG2 4.14Å; N391-T394 WeakPolarHBondContact O-CB 3.41Å; N391-T394 PolarHBondContact O-N 2.73Å; N391-T394 VanDerWaalsContact O-N 3.11Å; A392-T394 VanDerWaalsContact C-N 3.31Å; A392-T394 PolarHBondContact O-N 3.3Å; T394-A398 PolarHBondContact O-N 2.92Å; T394-A398 VanDerWaalsContact O-N 3.08Å; T394-L434 HydrophobicContact CG2-CD1 3.94Å; T394-L434 HydrophobicContact CG2-CD2 4.05Å
395V82.6Confident81.3Confident0 Ų014.2 Ų14.20%08%0.083CC..Hα-helixtrans-81.6-34.8179.7178.50000112.5F322 L390 N391 A392 S393 A397 A398 M399 M501 F522F322-V395 HydrophobicContact CD1-CG1 4.19Å; F322-V395 HydrophobicContact CE1-CG1 3.34Å; F322-V395 HydrophobicContact CZ-CG1 3.61Å; L390-V395 HydrophobicContact CB-CG2 4.01Å; L390-V395 HydrophobicContact CD1-CG2 4.02Å; N391-V395 PolarHBondContact O-N 2.8Å; A392-V395 PolarHBondContact O-N 2.78Å; S393-V395 VanDerWaalsContact C-N 3.26Å; S393-V395 PolarHBondContact O-N 2.89Å; V395-A397 VanDerWaalsContact C-N 3.27Å; V395-A397 PolarHBondContact O-N 2.87Å; V395-A398 PolarHBondContact O-N 3.19Å; V395-M399 HydrophobicContact CG1-CG 4.49Å; V395-M399 PolarHBondContact O-N 2.86Å; V395-M501 HydrophobicContact CB-CE 4Å; V395-M501 HydrophobicContact CG1-CE 4.06Å; V395-F522 HydrophobicContact CB-CD2 4.35Å; V395-F522 HydrophobicContact CB-CE1 4.05Å; V395-F522 HydrophobicContact CB-CE2 3.35Å; V395-F522 HydrophobicContact CB-CZ 3.2Å; V395-F522 HydrophobicContact CG1-CD1 4.17Å; V395-F522 HydrophobicContact CG1-CD2 3.61Å; V395-F522 HydrophobicContact CG1-CE1 3.68Å; V395-F522 HydrophobicContact CG1-CE2 3.08Å; V395-F522 HydrophobicContact CG1-CG 4.2Å; V395-F522 HydrophobicContact CG1-CZ 3.16Å; V395-F522 HydrophobicContact CG2-CE1 3.7Å; V395-F522 HydrophobicContact CG2-CE2 3.86Å; V395-F522 HydrophobicContact CG2-CZ 3.11Å
396A86.6Confident81.5Confident0 Ų015.1 Ų15.10%09%0.088CC..Hα-helixtrans-57.1-43.7168.500000111V375 M381 A392 S393 M399 C400 F467 M501V375-A396 HydrophobicContact CG1-CB 3.8Å; M381-A396 HydrophobicContact CE-CB 4.1Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 3.46Å; S393-A396 PolarHBondContact O-N 2.81Å; A396-M399 PolarHBondContact O-N 3.08Å; A396-C400 VanDerWaalsContact O-CB 3.24Å; A396-C400 WeakPolarHBondContact O-CB 3.49Å; A396-C400 PolarHBondContact O-N 2.65Å; A396-F467 HydrophobicContact CB-CB 3.61Å; A396-F467 HydrophobicContact CB-CD1 4.4Å; A396-F467 HydrophobicContact CB-CG 4.05Å; A396-M501 HydrophobicContact CB-CE 4.07Å
397A86.1Confident82.4Confident0 Ų015.1 Ų15.10%09%0.088CC..Hα-helixtrans-60.7-46.1174.700000112.3S393 V395 M399 C400 M401 L430 V433 L434 M437S393-A397 WeakPolarHBondContact O-CB 3.39Å; S393-A397 PolarHBondContact O-N 3.36Å; V395-A397 VanDerWaalsContact C-N 3.27Å; V395-A397 PolarHBondContact O-N 2.87Å; A397-M399 PolarHBondContact O-N 2.92Å; A397-C400 WeakPolarHBondContact O-CB 3.48Å; A397-C400 PolarHBondContact O-N 2.69Å; A397-M401 WeakPolarHBondContact O-CG 3.5Å; A397-M401 PolarHBondContact O-N 3.47Å; A397-L430 HydrophobicContact CB-CD1 4.25Å; A397-V433 HydrophobicContact CB-CG1 4Å; A397-L434 HydrophobicContact CB-CD2 3.67Å; A397-M437 HydrophobicContact CB-CE 4.09Å; A397-M437 HydrophobicContact CB-SD 3.55Å; A397-M437 VanDerWaalsContact CB-SD 3.55Å
398A84.7Confident83.1Confident1 Ų123.7 Ų23.71%0.00812%0.115CC..Hα-helixtrans-60.3-44.6177.100000112.1F322 L325 F357 T394 V395 M401 V402 L430F322-A398 HydrophobicContact CE1-CB 4.48Å; L325-A398 HydrophobicContact CD2-CB 3.86Å; F357-A398 HydrophobicContact CZ-CB 4.01Å; T394-A398 PolarHBondContact O-N 2.92Å; T394-A398 VanDerWaalsContact O-N 3.08Å; V395-A398 PolarHBondContact O-N 3.19Å; A398-M401 PolarHBondContact O-N 2.99Å; A398-V402 VanDerWaalsContact O-CG2 3.29Å; A398-V402 WeakPolarHBondContact O-CG2 3.35Å; A398-V402 PolarHBondContact O-N 3.29Å; A398-V402 VanDerWaalsContact O-N 3.1Å; A398-L430 HydrophobicContact CB-CD1 4.3Å
399M83.3Confident83.7Confident4 Ų425.9 Ų25.92%0.0213%0.125CC..Hα-helixtrans-65.3-41.1176.1-74.4-62.1-73.200112.2F322 V395 A396 A397 M401 V402 V403 F467 A526 L527F322-M399 HydrophobicContact CE1-CG 4.36Å; F322-M399 HydrophobicContact CE1-SD 4.31Å; F322-M399 HydrophobicContact CE2-SD 4.17Å; F322-M399 HydrophobicContact CZ-CG 3.76Å; F322-M399 HydrophobicContact CZ-SD 3.47Å; F322-M399 WeakPolarHBondContact CZ-SD 3.38Å; V395-M399 HydrophobicContact CG1-CG 4.49Å; V395-M399 PolarHBondContact O-N 2.86Å; A396-M399 PolarHBondContact O-N 3.08Å; A397-M399 PolarHBondContact O-N 2.92Å; M399-M401 VanDerWaalsContact C-N 3.3Å; M399-M401 PolarHBondContact O-N 2.81Å; M399-V402 WeakPolarHBondContact O-CB 3.42Å; M399-V402 PolarHBondContact O-N 2.85Å; M399-V402 VanDerWaalsContact O-N 3.12Å; M399-V403 PolarHBondContact O-N 3.42Å; M399-F467 HydrophobicContact CB-CD1 4.34Å; M399-F467 HydrophobicContact CB-CE1 3.53Å; M399-F467 HydrophobicContact CB-CZ 3.9Å; M399-F467 HydrophobicContact CG-CE1 4.35Å; M399-A526 HydrophobicContact CE-CB 4.02Å; M399-L527 HydrophobicContact CE-CD2 4.24Å
400C86.7Confident84.4Confident0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-58.1-44.1174.8-1780000111.4L373 V375 A396 A397 V402 V403 T404 V412 F467L373-C400 WeakPolarHBondContact CD1-O 3.24Å; V375-C400 HydrophobicContact CG2-CB 4.04Å; A396-C400 VanDerWaalsContact O-CB 3.24Å; A396-C400 WeakPolarHBondContact O-CB 3.49Å; A396-C400 PolarHBondContact O-N 2.65Å; A397-C400 WeakPolarHBondContact O-CB 3.48Å; A397-C400 PolarHBondContact O-N 2.69Å; C400-V402 VanDerWaalsContact C-N 3.33Å; C400-V402 PolarHBondContact O-N 3.04Å; C400-V403 PolarHBondContact O-N 2.84Å; C400-T404 VanDerWaalsContact O-CB 3.3Å; C400-T404 WeakPolarHBondContact O-CB 3.4Å; C400-T404 PolarHBondContact O-N 3.5Å; C400-T404 PolarHBondContact O-OG1 3.06Å; C400-V412 WeakPolarHBondContact SG-CG1 3.33Å; C400-V412 WeakPolarHBondContact SG-CG2 3.3Å; C400-F467 HydrophobicContact CB-CE2 4.33Å
401M85.3Confident84.7Confident2 Ų229.9 Ų29.91%0.0114%0.142CC..Hα-helixtrans-63.4-36.9175.1-69.6179.876.700113Y358 F361 A397 A398 M399 R405 V424 M428 L430 V433Y358-M401 HydrophobicContact CE1-CE 3.7Å; F361-M401 HydrophobicContact CE2-CB 4.38Å; A397-M401 WeakPolarHBondContact O-CG 3.5Å; A397-M401 PolarHBondContact O-N 3.47Å; A398-M401 PolarHBondContact O-N 2.99Å; M399-M401 VanDerWaalsContact C-N 3.3Å; M399-M401 PolarHBondContact O-N 2.81Å; M401-R405 WeakPolarHBondContact O-CB 3.34Å; M401-R405 VanDerWaalsContact O-CG 3.27Å; M401-R405 WeakPolarHBondContact O-CG 3.3Å; M401-R405 PolarHBondContact O-N 3.11Å; M401-V424 HydrophobicContact CG-CG1 4.38Å; M401-M428 WeakPolarHBondContact CE-O 3.34Å; M401-L430 VanDerWaalsContact SD-CA 3.56Å; M401-L430 HydrophobicContact SD-CB 3.93Å; M401-L430 HydrophobicContact SD-CD1 3.64Å; M401-L430 HydrophobicContact SD-CG 4.4Å; M401-V433 HydrophobicContact CE-CG2 4.22Å; M401-V433 HydrophobicContact CG-CG1 4.48Å; M401-V433 HydrophobicContact CG-CG2 4.02Å; M401-V433 HydrophobicContact SD-CB 4.25Å; M401-V433 HydrophobicContact SD-CG2 3.82Å
402V82.9Confident85Confident6 Ų628.8 Ų28.84%0.03614%0.137CC..Hα-helixtrans-61.8-49.8176.5176.50000110.1F361 A398 M399 C400 R405 T406 L527F361-V402 HydrophobicContact CD1-CG2 3.64Å; F361-V402 HydrophobicContact CD2-CG2 4.35Å; F361-V402 HydrophobicContact CE1-CG2 3.3Å; F361-V402 HydrophobicContact CE2-CG2 4.05Å; F361-V402 HydrophobicContact CG-CG2 4.15Å; F361-V402 HydrophobicContact CZ-CG2 3.5Å; A398-V402 VanDerWaalsContact O-CG2 3.29Å; A398-V402 WeakPolarHBondContact O-CG2 3.35Å; A398-V402 PolarHBondContact O-N 3.29Å; A398-V402 VanDerWaalsContact O-N 3.1Å; M399-V402 WeakPolarHBondContact O-CB 3.42Å; M399-V402 PolarHBondContact O-N 2.85Å; M399-V402 VanDerWaalsContact O-N 3.12Å; C400-V402 VanDerWaalsContact C-N 3.33Å; C400-V402 PolarHBondContact O-N 3.04Å; V402-R405 PolarHBondContact O-N 3.32Å; V402-T406 WeakPolarHBondContact O-CB 3.43Å; V402-T406 PolarHBondContact O-N 2.87Å; V402-T406 VanDerWaalsContact O-N 3.1Å; V402-T406 PolarHBondContact O-OG1 3.44Å; V402-L527 HydrophobicContact CG1-CD1 3.46Å; V402-L527 VanDerWaalsContact CG1-CD1 3.46Å; V402-L527 HydrophobicContact CG1-CD2 3.92Å; V402-L527 HydrophobicContact CG1-CG 4.36Å
403V84.3Confident85.1Confident6 Ų628.9 Ų28.94%0.03614%0.138CC..Hα-helixtrans-66.3-45.5-179.4-178.30000110.6F371 L373 M399 C400 R405 T406 E407 I465 L527F371-V403 HydrophobicContact CD1-CG1 4.21Å; F371-V403 HydrophobicContact CG-CG1 4.33Å; L373-V403 HydrophobicContact CD1-CB 3.76Å; L373-V403 HydrophobicContact CD1-CG1 3.89Å; L373-V403 HydrophobicContact CD2-CB 4.19Å; L373-V403 HydrophobicContact CD2-CG1 3.81Å; L373-V403 HydrophobicContact CG-CG1 4.43Å; M399-V403 PolarHBondContact O-N 3.42Å; C400-V403 PolarHBondContact O-N 2.84Å; V403-R405 VanDerWaalsContact C-N 3.25Å; V403-R405 PolarHBondContact O-N 2.95Å; V403-T406 PolarHBondContact O-N 3.1Å; V403-E407 HydrophobicContact CG1-CG 4.19Å; V403-E407 PolarHBondContact O-N 3.31Å; V403-I465 HydrophobicContact CG1-CD1 4.49Å; V403-I465 HydrophobicContact CG2-CD1 4.5Å; V403-L527 HydrophobicContact CG2-CD2 4.1Å
404T86Confident85.3Confident8 Ų827.9 Ų27.95%0.04913%0.131CC..Hα-helixtrans-59.6-33.1178.8-55.80000113.2L373 C400 E407 S410 V412L373-T404 WeakPolarHBondContact CD1-OG1 3.46Å; C400-T404 VanDerWaalsContact O-CB 3.3Å; C400-T404 WeakPolarHBondContact O-CB 3.4Å; C400-T404 PolarHBondContact O-N 3.5Å; C400-T404 PolarHBondContact O-OG1 3.06Å; T404-E407 VanDerWaalsContact O-O 3.1Å; T404-S410 WeakPolarHBondContact CA-OG 3.32Å; T404-S410 WeakPolarHBondContact CG2-OG 3.14Å; T404-V412 HydrophobicContact CG2-CG2 4.5Å; T404-V412 WeakPolarHBondContact OG1-CG2 3.47Å
405R84.3Confident85.2Confident81 Ų8127 Ų2731%0.30613%0.125SC..Hα-helixtrans-86.5-15.3178.1-70.2178.8177.5-156.79.9113.4Y358 M401 V402 V403 T426 M428Y358-R405 VanDerWaalsContact CD1-CZ 3.44Å; Y358-R405 VanDerWaalsContact CE1-NH2 3.29Å; M401-R405 WeakPolarHBondContact O-CB 3.34Å; M401-R405 VanDerWaalsContact O-CG 3.27Å; M401-R405 WeakPolarHBondContact O-CG 3.3Å; M401-R405 PolarHBondContact O-N 3.11Å; V402-R405 PolarHBondContact O-N 3.32Å; V403-R405 VanDerWaalsContact C-N 3.25Å; V403-R405 PolarHBondContact O-N 2.95Å; R405-T426 PolarHBondContact NE-O 3.24Å; R405-T426 PolarHBondContact NH2-O 3.04Å; R405-T426 VanDerWaalsContact NH2-O 3.14Å; R405-M428 PolarHBondContact NH2-O 2.87Å
406T82.1Confident84.9Confident25 Ų2527 Ų2715%0.15313%0.125CC..Hα-helixtrans-90.6-47.4176.5-54.20000110.2V364 P366 V402 V403V364-T406 HydrophobicContact CB-CG2 4.11Å; V364-T406 HydrophobicContact CG1-CG2 3.95Å; P366-T406 HydrophobicContact CB-CG2 4.27Å; P366-T406 WeakPolarHBondContact CB-O 3.49Å; V402-T406 WeakPolarHBondContact O-CB 3.43Å; V402-T406 PolarHBondContact O-N 2.87Å; V402-T406 VanDerWaalsContact O-N 3.1Å; V402-T406 PolarHBondContact O-OG1 3.44Å; V403-T406 PolarHBondContact O-N 3.1Å
407E86.6Confident84.1Confident11 Ų1131 Ų315%0.05115%0.146CC..  trans-99.4120.3-177.2-60-69.2-176.900110.4T367 G368 F371 V403 T404 D409 S410T367-E407 VanDerWaalsContact CB-OE1 3.31Å; T367-E407 WeakPolarHBondContact CB-OE1 3.23Å; T367-E407 PolarHBondContact N-OE1 3.46Å; T367-E407 PolarHBondContact N-OE2 3.22Å; T367-E407 VanDerWaalsContact OG1-CD 3.24Å; T367-E407 PolarHBondContact OG1-OE1 3.05Å; T367-E407 PolarHBondContact OG1-OE2 3.07Å; G368-E407 PolarHBondContact N-OE2 3.5Å; F371-E407 HydrophobicContact CD2-CB 3.79Å; F371-E407 HydrophobicContact CD2-CG 3.61Å; F371-E407 HydrophobicContact CE2-CB 4.09Å; F371-E407 HydrophobicContact CE2-CG 3.43Å; F371-E407 VanDerWaalsContact CE2-CG 3.43Å; F371-E407 HydrophobicContact CG-CG 4.41Å; F371-E407 HydrophobicContact CZ-CG 4.09Å; V403-E407 HydrophobicContact CG1-CG 4.19Å; V403-E407 PolarHBondContact O-N 3.31Å; T404-E407 VanDerWaalsContact O-O 3.1Å; E407-D409 VanDerWaalsContact C-N 3.32Å; E407-D409 PolarHBondContact O-N 3.4Å; E407-S410 PolarHBondContact O-OG 3.14Å
408K82.3Confident83.4Confident215 Ų21537.2 Ų37.294%0.93518%0.176SC*.SBendtrans-68.7-30.5-175.8-68.1-177.5178.7178.20113.4
409D86.9Confident83Confident68 Ų6838.7 Ų38.736%0.36418%0.183SC..SBendtrans-105.777.2-177.2-158.2-17.7000109.2R370 F371 E407 Y411R370-D409 CarbonylContact C-O 3.58Å; R370-D409 WeakPolarHBondContact CA-O 3.2Å; R370-D409 HydrophobicContact CG-CB 4.34Å; R370-D409 WeakPolarHBondContact CG-OD2 3.41Å; F371-D409 PolarHBondContact N-O 3.45Å; E407-D409 VanDerWaalsContact C-N 3.32Å; E407-D409 PolarHBondContact O-N 3.4Å; D409-Y411 WeakPolarHBondContact OD1-CE2 3.26Å
410S88.6Confident82.7Confident26 Ų2640.8 Ų40.818%0.18220%0.196CC..EExtended strand (participates in β ladder)trans-129.8128-17865.20000111.4F371 T404 E407F371-S410 CarbonylContact O-C 3.48Å; F371-S410 VanDerWaalsContact O-CA 3.3Å; F371-S410 WeakPolarHBondContact O-CA 3.47Å; T404-S410 WeakPolarHBondContact CA-OG 3.32Å; T404-S410 WeakPolarHBondContact CG2-OG 3.14Å; E407-S410 PolarHBondContact O-OG 3.14Å
411Y88.4Confident82.2Confident98 Ų9844.4 Ų44.438%0.38422%0.219SC..EExtended strand (participates in β ladder)trans-103.7124.9173.6-64.8-89000109.6F371 L372 L373 D409 T459F371-Y411 PolarHBondContact O-N 3.14Å; L372-Y411 CarbonylContact C-O 3.57Å; L372-Y411 WeakPolarHBondContact CA-O 3.11Å; L373-Y411 PolarHBondContact N-O 2.87Å; D409-Y411 WeakPolarHBondContact OD1-CE2 3.26Å; Y411-T459 HydrophobicContact CD1-CG2 4.3Å; Y411-T459 HydrophobicContact CD2-CG2 4.09Å; Y411-T459 HydrophobicContact CE1-CG2 4.4Å; Y411-T459 HydrophobicContact CE2-CG2 4.22Å; Y411-T459 HydrophobicContact CG-CG2 4.15Å
412V87.9Confident81.7Confident13 Ų1344.5 Ų44.58%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-102.8127.3176.7-176.20000110L373 C400 T404 C422 V424 M437L373-V412 HydrophobicContact CB-CG2 4.32Å; L373-V412 HydrophobicContact CD1-CG2 4.18Å; L373-V412 WeakPolarHBondContact O-CA 3.06Å; C400-V412 WeakPolarHBondContact SG-CG1 3.33Å; C400-V412 WeakPolarHBondContact SG-CG2 3.3Å; T404-V412 HydrophobicContact CG2-CG2 4.5Å; T404-V412 WeakPolarHBondContact OG1-CG2 3.47Å; V412-C422 WeakPolarHBondContact CB-O 3.46Å; V412-C422 CarbonylContact O-C 3.49Å; V412-C422 PolarHBondContact O-N 2.96Å; V412-V424 HydrophobicContact CB-CB 4.04Å; V412-V424 HydrophobicContact CB-CG2 4.12Å; V412-V424 HydrophobicContact CG1-CB 4.15Å; V412-V424 HydrophobicContact CG1-CG2 3.69Å; V412-V424 HydrophobicContact CG2-CB 3.98Å; V412-V424 HydrophobicContact CG2-CG2 4.44Å; V412-M437 HydrophobicContact CG1-CE 4.45Å
413V87.1Confident80.8Confident2 Ų248.9 Ų48.91%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-131.9150.9176.5-63.90000108.7L372 L373 A374 V375 M419 W453L372-V413 HydrophobicContact CD2-CG2 3.6Å; L372-V413 HydrophobicContact CG-CG2 4.4Å; L373-V413 WeakPolarHBondContact O-CG2 3.26Å; L373-V413 PolarHBondContact O-N 3.41Å; L373-V413 VanDerWaalsContact O-O 3.12Å; A374-V413 WeakPolarHBondContact CA-O 3.33Å; A374-V413 HydrophobicContact CB-CG2 3.82Å; V375-V413 PolarHBondContact N-O 2.93Å; V413-M419 HydrophobicContact CB-CE 3.51Å; V413-M419 HydrophobicContact CG1-CE 4.1Å; V413-M419 HydrophobicContact CG2-CE 3.4Å; V413-W453 HydrophobicContact CG1-CE3 4.22Å; V413-W453 HydrophobicContact CG1-CH2 4.1Å; V413-W453 HydrophobicContact CG1-CZ2 4.5Å; V413-W453 HydrophobicContact CG1-CZ3 3.95Å
414A85.6Confident80.1Confident0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-127148.317400000109.4V375 V377 V420 C422 I440V375-A414 VanDerWaalsContact O-CA 3.23Å; V375-A414 WeakPolarHBondContact O-CA 3.32Å; V377-A414 HydrophobicContact CG1-CB 4.08Å; V377-A414 HydrophobicContact CG2-CB 4.4Å; A414-V420 PolarHBondContact N-O 3.19Å; A414-V420 PolarHBondContact O-N 2.91Å; A414-V420 VanDerWaalsContact O-O 3.11Å; A414-C422 HydrophobicContact CB-CB 4.08Å; A414-I440 HydrophobicContact CB-CD1 3.22Å
415F81.9Confident79.3Confident0 Ų052.2 Ų52.20%027%0.269CS..EExtended strand (participates in β ladder)trans-144.5147-170.473.6-85.9000112.8A374 V375 D376 V377 E418 M419 T445 D446 C447 L449 P450 V466A374-F415 HydrophobicContact CB-CD1 3.94Å; A374-F415 HydrophobicContact CB-CE1 3.83Å; V375-F415 WeakPolarHBondContact O-CD1 3.11Å; V375-F415 PolarHBondContact O-N 3.37Å; D376-F415 HydrophobicContact CB-CE1 4.03Å; D376-F415 HydrophobicContact CB-CE2 4.18Å; D376-F415 HydrophobicContact CB-CZ 3.7Å; V377-F415 WeakPolarHBondContact CG2-O 3.4Å; V377-F415 PolarHBondContact N-O 2.94Å; F415-E418 WeakPolarHBondContact CA-O 3.23Å; F415-M419 HydrophobicContact CB-SD 3.35Å; F415-M419 WeakPolarHBondContact CB-SD 3.43Å; F415-M419 HydrophobicContact CG-SD 4.21Å; F415-T445 HydrophobicContact CE2-CG2 4.41Å; F415-D446 WeakPolarHBondContact CD2-O 3.4Å; F415-C447 HydrophobicContact CE2-CB 4.48Å; F415-L449 HydrophobicContact CB-CD1 4.47Å; F415-P450 HydrophobicContact CD1-CG 4.15Å; F415-P450 HydrophobicContact CE1-CG 4.24Å; F415-V466 HydrophobicContact CE1-CG1 3.9Å; F415-V466 HydrophobicContact CZ-CG1 3.71Å
416S75.1Confident78.6Confident1 Ų152 Ų521%0.00728%0.277CS..SBendtrans-134.1-103.916556.60000106.8E418 P441 G444 D446S416-E418 PolarHBondContact N-O 3.15Å; S416-P441 PolarHBondContact OG-O 2.98Å; S416-G444 CarbonylContact C-O 3.57Å; S416-D446 PolarHBondContact O-N 3.38Å
417N69.3Low78.1Confident83 Ų8357.4 Ų57.444%0.44431%0.305SS..SBendtrans-88-17.7169.861.6-33000112.6G444N417-G444 WeakPolarHBondContact CA-O 3.45Å; N417-G444 PolarHBondContact N-O 2.87Å
418E71.8Confident77.7Confident132 Ų13259.1 Ų59.162%0.61731%0.313SS*.SBendtrans-129.5155.6174.5-65.2-174.5177.200110.3F415 S416F415-E418 WeakPolarHBondContact CA-O 3.23Å; S416-E418 PolarHBondContact N-O 3.15Å
419M77.4Confident77.6Confident31 Ų3151.2 Ų51.215%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-89124.5173.6-73.1-68.5-63.900110V413 F415 L449 P450 W453V413-M419 HydrophobicContact CB-CE 3.51Å; V413-M419 HydrophobicContact CG1-CE 4.1Å; V413-M419 HydrophobicContact CG2-CE 3.4Å; F415-M419 HydrophobicContact CB-SD 3.35Å; F415-M419 WeakPolarHBondContact CB-SD 3.43Å; F415-M419 HydrophobicContact CG-SD 4.21Å; M419-L449 HydrophobicContact CG-CB 3.53Å; M419-L449 HydrophobicContact CG-CD1 4.18Å; M419-L449 HydrophobicContact CG-CD2 4.42Å; M419-L449 HydrophobicContact CG-CG 4.26Å; M419-L449 HydrophobicContact SD-CB 3.49Å; M419-L449 WeakPolarHBondContact SD-CB 3.39Å; M419-L449 HydrophobicContact SD-CD1 4.44Å; M419-P450 HydrophobicContact CE-CB 4.43Å; M419-P450 HydrophobicContact CE-CG 4.45Å; M419-P450 HydrophobicContact SD-CG 4.31Å; M419-W453 HydrophobicContact CB-CB 4.41Å; M419-W453 HydrophobicContact CB-CG 4.26Å; M419-W453 HydrophobicContact CE-CB 4.14Å; M419-W453 HydrophobicContact CE-CD2 4.46Å; M419-W453 HydrophobicContact CE-CG 4.22Å; M419-W453 HydrophobicContact CG-CB 3.96Å; M419-W453 HydrophobicContact CG-CG 4.31Å
420V75.9Confident77.3Confident49 Ų4948.3 Ų48.330%0.29727%0.268SS..EExtended strand (participates in β ladder)trans-117.1119.1172.3-174.90000108.2A414 C422 I440A414-V420 PolarHBondContact N-O 3.19Å; A414-V420 PolarHBondContact O-N 2.91Å; A414-V420 VanDerWaalsContact O-O 3.11Å; V420-C422 PolarHBondContact O-N 3.23Å; V420-C422 VanDerWaalsContact O-N 3.13Å; V420-I440 HydrophobicContact CB-CD1 4.06Å; V420-I440 HydrophobicContact CB-CG1 4.08Å; V420-I440 HydrophobicContact CB-CG2 4.33Å; V420-I440 HydrophobicContact CG1-CD1 4.4Å; V420-I440 HydrophobicContact CG1-CG1 4.17Å; V420-I440 HydrophobicContact CG2-CG1 4.36Å; V420-I440 HydrophobicContact CG2-CG2 3.87Å
421P76.9Confident76.6Confident76 Ų7651.7 Ų51.749%0.49428%0.281SS..EExtended strand (participates in β ladder)trans-55.6121.1167.1-2333.6000108.8P423 W453P421-P423 VanDerWaalsContact O-CD 3.25Å; P421-P423 WeakPolarHBondContact O-CD 3.45Å; P421-W453 HydrophobicContact CG-CZ2 4.33Å
422C75.1Confident76.3Confident4 Ų451.6 Ų51.63%0.02728%0.284CS..  trans-112.886.4177-173.70000106.1V412 A414 V420 V424V412-C422 WeakPolarHBondContact CB-O 3.46Å; V412-C422 CarbonylContact O-C 3.49Å; V412-C422 PolarHBondContact O-N 2.96Å; A414-C422 HydrophobicContact CB-CB 4.08Å; V420-C422 PolarHBondContact O-N 3.23Å; V420-C422 VanDerWaalsContact O-N 3.13Å; C422-V424 PolarHBondContact O-N 3.36Å
423P64Low75.8Confident98 Ų9851 Ų5164%0.63628%0.28SS*.  trans-6886-175.828.1-34.1000109.5P421 T425 M428P421-P423 VanDerWaalsContact O-CD 3.25Å; P421-P423 WeakPolarHBondContact O-CD 3.45Å; P423-T425 PolarHBondContact O-N 3.19Å; P423-M428 WeakPolarHBondContact O-CE 3.5Å; P423-M428 VanDerWaalsContact O-SD 3.4Å
424V69.7Low75.3Confident15 Ų1552.9 Ų52.99%0.09129%0.29CS..  trans-78.1101.8170.6175.90000106.9M401 V412 C422 V433 M437M401-V424 HydrophobicContact CG-CG1 4.38Å; V412-V424 HydrophobicContact CB-CB 4.04Å; V412-V424 HydrophobicContact CB-CG2 4.12Å; V412-V424 HydrophobicContact CG1-CB 4.15Å; V412-V424 HydrophobicContact CG1-CG2 3.69Å; V412-V424 HydrophobicContact CG2-CB 3.98Å; V412-V424 HydrophobicContact CG2-CG2 4.44Å; C422-V424 PolarHBondContact O-N 3.36Å; V424-V433 HydrophobicContact CB-CG2 4.46Å; V424-V433 HydrophobicContact CG1-CG1 4.48Å; V424-V433 HydrophobicContact CG1-CG2 3.63Å; V424-V433 HydrophobicContact CG2-CG1 3.8Å; V424-V433 HydrophobicContact CG2-CG2 4.1Å; V424-M437 HydrophobicContact CG2-CE 4.35Å
425T69.2Low74.9Confident69 Ų6957.5 Ų57.542%0.42331%0.313SS..  trans-77.2154.5171.964.60000110.3P423 D427 M428P423-T425 PolarHBondContact O-N 3.19Å; T425-D427 PolarHBondContact O-N 3.29Å; T425-D427 VanDerWaalsContact O-N 3.11Å; T425-M428 HydrophobicContact CG2-CE 4.32Å; T425-M428 WeakPolarHBondContact O-CB 3.37Å; T425-M428 PolarHBondContact O-N 3.31Å; T425-M428 VanDerWaalsContact O-N 3.08Å; T425-M428 WeakPolarHBondContact OG1-CG 3.43Å
426T67.7Low74.6Confident75 Ų7559.1 Ų59.146%0.4633%0.326SS..THydrogen-bonded Turntrans-57.1-27.9178.348.10000113.2R405R405-T426 PolarHBondContact NE-O 3.24Å; R405-T426 PolarHBondContact NH2-O 3.04Å; R405-T426 VanDerWaalsContact NH2-O 3.14Å
427D72.7Confident74.5Confident140 Ų14059.6 Ų59.675%0.74933%0.328SS*.THydrogen-bonded Turntrans-86.7-11.3-176.7-56.1-38.5000113.3T425 T429T425-D427 PolarHBondContact O-N 3.29Å; T425-D427 VanDerWaalsContact O-N 3.11Å; D427-T429 PolarHBondContact O-N 3.13Å
428M78.4Confident74.5Confident46 Ų4660 Ų6023%0.22734%0.337CS..  trans-64.8136.8176.9-81.3172.3-175.500111M401 R405 P423 T425 Q432 V433M401-M428 WeakPolarHBondContact CE-O 3.34Å; R405-M428 PolarHBondContact NH2-O 2.87Å; P423-M428 WeakPolarHBondContact O-CE 3.5Å; P423-M428 VanDerWaalsContact O-SD 3.4Å; T425-M428 HydrophobicContact CG2-CE 4.32Å; T425-M428 WeakPolarHBondContact O-CB 3.37Å; T425-M428 PolarHBondContact O-N 3.31Å; T425-M428 VanDerWaalsContact O-N 3.08Å; T425-M428 WeakPolarHBondContact OG1-CG 3.43Å; M428-Q432 HydrophobicContact CB-CB 4.33Å; M428-Q432 HydrophobicContact CG-CB 4.28Å; M428-V433 HydrophobicContact CB-CG2 3.87Å
429T80.8Confident74.4Confident50 Ų5061.4 Ų61.431%0.30734%0.344SS..  trans-74156.7167.961.90000110.6Y358 D427 Q431 Q432 V433Y358-T429 WeakPolarHBondContact OH-CA 3.09Å; D427-T429 PolarHBondContact O-N 3.13Å; T429-Q431 PolarHBondContact O-N 3.43Å; T429-Q432 PolarHBondContact O-N 3.35Å; T429-Q432 WeakPolarHBondContact OG1-CG 3.49Å; T429-Q432 PolarHBondContact OG1-N 3.25Å; T429-Q432 PolarHBondContact OG1-OE1 2.9Å; T429-V433 WeakPolarHBondContact O-CG2 3.45Å; T429-V433 PolarHBondContact O-N 3.48Å
430L78.8Confident74Confident7 Ų760.7 Ų60.74%0.03734%0.341CS..Hα-helixtrans-53-41.1175.5-179.964.4000112L325 Y358 A397 A398 M401 Q432 V433 L434L325-L430 HydrophobicContact CD1-CD2 3.26Å; L325-L430 HydrophobicContact CD2-CD2 4.4Å; L325-L430 HydrophobicContact CG-CD2 4.46Å; Y358-L430 PolarHBondContact OH-N 3.46Å; Y358-L430 VanDerWaalsContact OH-N 3.11Å; A397-L430 HydrophobicContact CB-CD1 4.25Å; A398-L430 HydrophobicContact CB-CD1 4.3Å; M401-L430 VanDerWaalsContact SD-CA 3.56Å; M401-L430 HydrophobicContact SD-CB 3.93Å; M401-L430 HydrophobicContact SD-CD1 3.64Å; M401-L430 HydrophobicContact SD-CG 4.4Å; L430-Q432 PolarHBondContact O-N 3.1Å; L430-V433 PolarHBondContact O-N 3.41Å; L430-L434 HydrophobicContact CD1-CD1 4.43Å; L430-L434 HydrophobicContact CD1-CG 4.26Å; L430-L434 HydrophobicContact CG-CD1 4.05Å; L430-L434 HydrophobicContact CG-CG 4.31Å; L430-L434 VanDerWaalsContact O-CG 3.25Å; L430-L434 WeakPolarHBondContact O-CG 3.29Å; L430-L434 PolarHBondContact O-N 3.2Å
431Q75.7Confident73.4Confident96 Ų9662.7 Ų62.745%0.44936%0.355SS..Hα-helixtrans-62.7-40.7178.7-177.2172.4-3500112.6T429 V433 L434 M435T429-Q431 PolarHBondContact O-N 3.43Å; Q431-V433 VanDerWaalsContact C-N 3.34Å; Q431-L434 PolarHBondContact O-N 2.75Å; Q431-M435 HydrophobicContact CG-CE 4.1Å; Q431-M435 HydrophobicContact CG-SD 4.31Å; Q431-M435 WeakPolarHBondContact O-CB 3.41Å; Q431-M435 WeakPolarHBondContact O-CG 3.43Å; Q431-M435 PolarHBondContact O-N 3.32Å
432Q80.6Confident72.8Confident96 Ų9662.8 Ų62.845%0.44936%0.362SS..Hα-helixtrans-65.2-40176-73.1164.1-44.200111.5M428 T429 L430 M435 A436M428-Q432 HydrophobicContact CB-CB 4.33Å; M428-Q432 HydrophobicContact CG-CB 4.28Å; T429-Q432 PolarHBondContact O-N 3.35Å; T429-Q432 WeakPolarHBondContact OG1-CG 3.49Å; T429-Q432 PolarHBondContact OG1-N 3.25Å; T429-Q432 PolarHBondContact OG1-OE1 2.9Å; L430-Q432 PolarHBondContact O-N 3.1Å; Q432-M435 PolarHBondContact O-N 2.79Å; Q432-A436 WeakPolarHBondContact O-CB 3.44Å; Q432-A436 PolarHBondContact O-N 2.7Å
433V78.8Confident72.4Confident0 Ų063.7 Ų63.70%037%0.372CS..Hα-helixtrans-61.7-46.8175.1176.90000110.9A397 M401 V424 M428 T429 L430 Q431 M435 A436 M437A397-V433 HydrophobicContact CB-CG1 4Å; M401-V433 HydrophobicContact CE-CG2 4.22Å; M401-V433 HydrophobicContact CG-CG1 4.48Å; M401-V433 HydrophobicContact CG-CG2 4.02Å; M401-V433 HydrophobicContact SD-CB 4.25Å; M401-V433 HydrophobicContact SD-CG2 3.82Å; V424-V433 HydrophobicContact CB-CG2 4.46Å; V424-V433 HydrophobicContact CG1-CG1 4.48Å; V424-V433 HydrophobicContact CG1-CG2 3.63Å; V424-V433 HydrophobicContact CG2-CG1 3.8Å; V424-V433 HydrophobicContact CG2-CG2 4.1Å; M428-V433 HydrophobicContact CB-CG2 3.87Å; T429-V433 WeakPolarHBondContact O-CG2 3.45Å; T429-V433 PolarHBondContact O-N 3.48Å; L430-V433 PolarHBondContact O-N 3.41Å; Q431-V433 VanDerWaalsContact C-N 3.34Å; V433-M435 PolarHBondContact O-N 2.75Å; V433-A436 PolarHBondContact O-N 3.01Å; V433-M437 HydrophobicContact CG1-CE 3.54Å; V433-M437 HydrophobicContact CG1-CG 4.47Å; V433-M437 HydrophobicContact CG1-SD 3.86Å; V433-M437 WeakPolarHBondContact O-CB 3.31Å; V433-M437 VanDerWaalsContact O-CG 3.29Å; V433-M437 WeakPolarHBondContact O-CG 3.25Å; V433-M437 PolarHBondContact O-N 2.9Å
434L75.6Confident72.7Confident42 Ų4260.1 Ų60.122%0.2235%0.353CS..Hα-helixtrans-63.1-41.2177.6-65.2173.3000112.2T394 A397 L430 Q431 M437 S438T394-L434 HydrophobicContact CG2-CD1 3.94Å; T394-L434 HydrophobicContact CG2-CD2 4.05Å; A397-L434 HydrophobicContact CB-CD2 3.67Å; L430-L434 HydrophobicContact CD1-CD1 4.43Å; L430-L434 HydrophobicContact CD1-CG 4.26Å; L430-L434 HydrophobicContact CG-CD1 4.05Å; L430-L434 HydrophobicContact CG-CG 4.31Å; L430-L434 VanDerWaalsContact O-CG 3.25Å; L430-L434 WeakPolarHBondContact O-CG 3.29Å; L430-L434 PolarHBondContact O-N 3.2Å; Q431-L434 PolarHBondContact O-N 2.75Å; L434-M437 PolarHBondContact O-N 2.98Å; L434-S438 VanDerWaalsContact O-CB 3.3Å; L434-S438 WeakPolarHBondContact O-CB 3.44Å; L434-S438 PolarHBondContact O-N 3.41Å; L434-S438 PolarHBondContact O-OG 2.87Å
435M77.8Confident73.1Confident98 Ų9859.5 Ų59.548%0.48335%0.349SS..Hα-helixtrans-61.9-47.1175.8-77.5178.1170.400111.3Q431 Q432 V433 M437 S438 Q439Q431-M435 HydrophobicContact CG-CE 4.1Å; Q431-M435 HydrophobicContact CG-SD 4.31Å; Q431-M435 WeakPolarHBondContact O-CB 3.41Å; Q431-M435 WeakPolarHBondContact O-CG 3.43Å; Q431-M435 PolarHBondContact O-N 3.32Å; Q432-M435 PolarHBondContact O-N 2.79Å; V433-M435 PolarHBondContact O-N 2.75Å; M435-M437 VanDerWaalsContact C-N 3.32Å; M435-M437 PolarHBondContact O-N 2.98Å; M435-S438 WeakPolarHBondContact CA-OG 3.34Å; M435-S438 PolarHBondContact O-N 2.87Å; M435-S438 PolarHBondContact O-OG 2.84Å; M435-Q439 WeakPolarHBondContact O-CG 3.43Å; M435-Q439 PolarHBondContact O-N 2.91Å
436A75.4Confident73.8Confident34 Ų3456.9 Ų56.928%0.28133%0.333SS..Hα-helixtrans-59.4-42.9176.200000111.8Q432 V433 Q439Q432-A436 WeakPolarHBondContact O-CB 3.44Å; Q432-A436 PolarHBondContact O-N 2.7Å; V433-A436 PolarHBondContact O-N 3.01Å; A436-Q439 PolarHBondContact O-N 3.05Å
437M72.7Confident74.6Confident10 Ų1053.3 Ų53.35%0.04931%0.311CS..Hα-helixtrans-67.7-34176.6-71176.6176.900113V375 V377 A397 V412 V424 V433 L434 M435 Q439 I440V375-M437 HydrophobicContact CB-CE 4.12Å; V375-M437 HydrophobicContact CG1-CE 4.22Å; V375-M437 HydrophobicContact CG1-SD 4.05Å; V375-M437 HydrophobicContact CG2-CE 3.84Å; V377-M437 HydrophobicContact CG1-CB 4.1Å; A397-M437 HydrophobicContact CB-CE 4.09Å; A397-M437 HydrophobicContact CB-SD 3.55Å; A397-M437 VanDerWaalsContact CB-SD 3.55Å; V412-M437 HydrophobicContact CG1-CE 4.45Å; V424-M437 HydrophobicContact CG2-CE 4.35Å; V433-M437 HydrophobicContact CG1-CE 3.54Å; V433-M437 HydrophobicContact CG1-CG 4.47Å; V433-M437 HydrophobicContact CG1-SD 3.86Å; V433-M437 WeakPolarHBondContact O-CB 3.31Å; V433-M437 VanDerWaalsContact O-CG 3.29Å; V433-M437 WeakPolarHBondContact O-CG 3.25Å; V433-M437 PolarHBondContact O-N 2.9Å; L434-M437 PolarHBondContact O-N 2.98Å; M435-M437 VanDerWaalsContact C-N 3.32Å; M435-M437 PolarHBondContact O-N 2.98Å; M437-Q439 VanDerWaalsContact C-N 3.31Å; M437-Q439 PolarHBondContact O-N 3.03Å; M437-I440 WeakPolarHBondContact O-CB 3.23Å; M437-I440 PolarHBondContact O-N 3.39Å
438S69.8Low75.3Confident91 Ų9146.7 Ų46.764%0.63628%0.275SS*.Hα-helixtrans-74.4-17.3-179.670.60000114.6L434 M435 I440L434-S438 VanDerWaalsContact O-CB 3.3Å; L434-S438 WeakPolarHBondContact O-CB 3.44Å; L434-S438 PolarHBondContact O-N 3.41Å; L434-S438 PolarHBondContact O-OG 2.87Å; M435-S438 WeakPolarHBondContact CA-OG 3.34Å; M435-S438 PolarHBondContact O-N 2.87Å; M435-S438 PolarHBondContact O-OG 2.84Å; S438-I440 PolarHBondContact O-N 3.32Å
439Q69.3Low75.7Confident162 Ų16245.8 Ų45.876%0.75727%0.271SS*.THydrogen-bonded Turntrans-77-7.8176.2-72.8178-1.800112.8M435 A436 M437M435-Q439 WeakPolarHBondContact O-CG 3.43Å; M435-Q439 PolarHBondContact O-N 2.91Å; A436-Q439 PolarHBondContact O-N 3.05Å; M437-Q439 VanDerWaalsContact C-N 3.31Å; M437-Q439 PolarHBondContact O-N 3.03Å
440I68.6Low76.2Confident16 Ų1643.4 Ų43.48%0.08226%0.257CS..SBendtrans-81.3128.8-178.9-59170.9000108.8V377 A414 V420 M437 S438 A442V377-I440 HydrophobicContact CG2-CB 3.95Å; V377-I440 HydrophobicContact CG2-CD1 4.16Å; V377-I440 HydrophobicContact CG2-CG2 3.69Å; A414-I440 HydrophobicContact CB-CD1 3.22Å; V420-I440 HydrophobicContact CB-CD1 4.06Å; V420-I440 HydrophobicContact CB-CG1 4.08Å; V420-I440 HydrophobicContact CB-CG2 4.33Å; V420-I440 HydrophobicContact CG1-CD1 4.4Å; V420-I440 HydrophobicContact CG1-CG1 4.17Å; V420-I440 HydrophobicContact CG2-CG1 4.36Å; V420-I440 HydrophobicContact CG2-CG2 3.87Å; M437-I440 WeakPolarHBondContact O-CB 3.23Å; M437-I440 PolarHBondContact O-N 3.39Å; S438-I440 PolarHBondContact O-N 3.32Å; I440-A442 PolarHBondContact O-N 3.04Å
441P64.3Low76.9Confident92 Ų9243.1 Ų43.160%0.59726%0.255SS*.PPolyproline II helixtrans-57129178.1-23.733.2000111.6S416 G443S416-P441 PolarHBondContact OG-O 2.98Å; P441-G443 PolarHBondContact O-N 3.26Å
442A63.9Low77.6Confident77 Ų7739.9 Ų39.964%0.63624%0.241SC*.PPolyproline II helixtrans-69.4127.8172.300000109.5I440I440-A442 PolarHBondContact O-N 3.04Å
443G67.3Low78.1Confident24 Ų2438 Ų3825%0.24723%0.229CC..  trans-142.3-173.2-179.700000111.6P441P441-G443 PolarHBondContact O-N 3.26Å
444G69.6Low78.7Confident22 Ų2238 Ų3823%0.22723%0.229CC..  trans-62.5167.1170.500000112S416 N417S416-G444 CarbonylContact C-O 3.57Å; N417-G444 WeakPolarHBondContact CA-O 3.45Å; N417-G444 PolarHBondContact N-O 2.87Å
445T77.6Confident79.5Confident3 Ų337.2 Ų37.22%0.01822%0.224CC..  trans-103.2118.2-173.9-530000110.5D376 S378 F415 E471 T472 F473 A474D376-T445 WeakPolarHBondContact OD2-CG2 3.35Å; S378-T445 VanDerWaalsContact CB-OG1 3.3Å; S378-T445 WeakPolarHBondContact CB-OG1 3.07Å; S378-T445 PolarHBondContact OG-OG1 3.36Å; F415-T445 HydrophobicContact CE2-CG2 4.41Å; T445-E471 WeakPolarHBondContact CB-O 3.3Å; T445-T472 PolarHBondContact O-OG1 3.36Å; T445-F473 PolarHBondContact O-N 3.45Å; T445-A474 PolarHBondContact O-N 3.05Å; T445-A474 VanDerWaalsContact O-N 3.12Å
446D83.6Confident80.1Confident14 Ų1440 Ų408%0.07523%0.234CC..  trans-123.697.2170.3-178.25.1000111.3Q7 F415 S416 S448 L449 A474 G475Q7-D446 PolarHBondContact NE2-OD1 3.46Å; F415-D446 WeakPolarHBondContact CD2-O 3.4Å; S416-D446 PolarHBondContact O-N 3.38Å; D446-S448 VanDerWaalsContact CG-OG 3.28Å; D446-S448 PolarHBondContact O-N 3.29Å; D446-S448 VanDerWaalsContact OD1-CB 3.26Å; D446-S448 WeakPolarHBondContact OD1-CB 3.36Å; D446-S448 PolarHBondContact OD1-N 3.48Å; D446-S448 PolarHBondContact OD1-OG 3.27Å; D446-S448 PolarHBondContact OD2-OG 2.96Å; D446-L449 HydrophobicContact CB-CD1 3.87Å; D446-L449 HydrophobicContact CB-CG 3.79Å; D446-L449 WeakPolarHBondContact O-CB 3.37Å; D446-L449 WeakPolarHBondContact O-CG 3.45Å; D446-L449 PolarHBondContact O-N 3.44Å; D446-L449 WeakPolarHBondContact OD2-CG 3.41Å; D446-A474 HydrophobicContact CB-CB 4.48Å; D446-G475 WeakPolarHBondContact OD1-CA 3.2Å; D446-G475 WeakPolarHBondContact OD2-CA 3.47Å
447C84.8Confident80.8Confident0 Ų041.4 Ų41.40%024%0.239CC..THydrogen-bonded Turntrans-74-2.6179.5-64.90000114.1F415 P450 M451 T472 P479 I508F415-C447 HydrophobicContact CE2-CB 4.48Å; C447-P450 WeakPolarHBondContact O-CD 3.35Å; C447-M451 WeakPolarHBondContact O-CE 3.44Å; C447-T472 PolarHBondContact N-OG1 2.93Å; C447-T472 VanDerWaalsContact N-OG1 3.07Å; C447-P479 HydrophobicContact CB-CG 3.78Å; C447-I508 HydrophobicContact CB-CD1 3.5Å; C447-I508 HydrophobicContact CB-CG2 4.36Å
448S87.1Confident81.7Confident0 Ų046.1 Ų46.10%026%0.264CS..THydrogen-bonded Turntrans-83.1-21.3175.976.30000112.5D446 P450 M451 I452 V477D446-S448 VanDerWaalsContact CG-OG 3.28Å; D446-S448 PolarHBondContact O-N 3.29Å; D446-S448 VanDerWaalsContact OD1-CB 3.26Å; D446-S448 WeakPolarHBondContact OD1-CB 3.36Å; D446-S448 PolarHBondContact OD1-N 3.48Å; D446-S448 PolarHBondContact OD1-OG 3.27Å; D446-S448 PolarHBondContact OD2-OG 2.96Å; S448-P450 VanDerWaalsContact C-CD 3.43Å; S448-M451 PolarHBondContact O-N 3.05Å; S448-I452 WeakPolarHBondContact O-CG1 3.46Å; S448-I452 PolarHBondContact O-N 2.64Å; S448-I452 WeakPolarHBondContact OG-CD1 3.41Å; S448-V477 VanDerWaalsContact CB-O 3.28Å; S448-V477 WeakPolarHBondContact CB-O 3.48Å; S448-V477 PolarHBondContact OG-O 3.19Å
449L88.4Confident82.8Confident28 Ų2842.6 Ų42.615%0.14724%0.239CC..Hα-helixtrans-55-39.9-174.9-72.1177.3000115.3F415 M419 D446 M451 I452 W453F415-L449 HydrophobicContact CB-CD1 4.47Å; M419-L449 HydrophobicContact CG-CB 3.53Å; M419-L449 HydrophobicContact CG-CD1 4.18Å; M419-L449 HydrophobicContact CG-CD2 4.42Å; M419-L449 HydrophobicContact CG-CG 4.26Å; M419-L449 HydrophobicContact SD-CB 3.49Å; M419-L449 WeakPolarHBondContact SD-CB 3.39Å; M419-L449 HydrophobicContact SD-CD1 4.44Å; D446-L449 HydrophobicContact CB-CD1 3.87Å; D446-L449 HydrophobicContact CB-CG 3.79Å; D446-L449 WeakPolarHBondContact O-CB 3.37Å; D446-L449 WeakPolarHBondContact O-CG 3.45Å; D446-L449 PolarHBondContact O-N 3.44Å; D446-L449 WeakPolarHBondContact OD2-CG 3.41Å; L449-M451 VanDerWaalsContact C-N 3.33Å; L449-M451 PolarHBondContact O-N 3.05Å; L449-I452 PolarHBondContact O-N 3.39Å; L449-W453 WeakPolarHBondContact O-CB 3.31Å; L449-W453 PolarHBondContact O-N 3.17Å
450P90.8Very high83.9Confident0 Ų037 Ų370%022%0.217CC..Hα-helixtrans-59.3-42.7-179.5-26.637.2000113L372 A374 F415 M419 C447 S448 A454 F464 V466L372-P450 HydrophobicContact CD2-CB 4.05Å; A374-P450 HydrophobicContact CB-CB 3.71Å; A374-P450 HydrophobicContact CB-CG 3.39Å; F415-P450 HydrophobicContact CD1-CG 4.15Å; F415-P450 HydrophobicContact CE1-CG 4.24Å; M419-P450 HydrophobicContact CE-CB 4.43Å; M419-P450 HydrophobicContact CE-CG 4.45Å; M419-P450 HydrophobicContact SD-CG 4.31Å; C447-P450 WeakPolarHBondContact O-CD 3.35Å; S448-P450 VanDerWaalsContact C-CD 3.43Å; P450-A454 WeakPolarHBondContact O-CB 3.37Å; P450-A454 PolarHBondContact O-N 2.76Å; P450-F464 HydrophobicContact CB-CD1 4.4Å; P450-V466 HydrophobicContact CG-CG2 4.42Å
451M93.2Very high85.1Confident0 Ų036.2 Ų36.20%021%0.213CC..Hα-helixtrans-71.9-42.9179.7-65.675.276.700111.1C447 S448 L449 W453 A454 Q455 F464 P479 A482 L483 L496C447-M451 WeakPolarHBondContact O-CE 3.44Å; S448-M451 PolarHBondContact O-N 3.05Å; L449-M451 VanDerWaalsContact C-N 3.33Å; L449-M451 PolarHBondContact O-N 3.05Å; M451-W453 VanDerWaalsContact C-N 3.34Å; M451-W453 PolarHBondContact O-N 3.19Å; M451-A454 PolarHBondContact O-N 3.15Å; M451-Q455 VanDerWaalsContact O-CB 3.31Å; M451-Q455 WeakPolarHBondContact O-CB 3.34Å; M451-Q455 PolarHBondContact O-N 2.94Å; M451-F464 HydrophobicContact CB-CE1 4.46Å; M451-F464 HydrophobicContact CG-CD1 3.98Å; M451-F464 HydrophobicContact CG-CE1 4.01Å; M451-F464 HydrophobicContact CG-CG 4.3Å; M451-F464 HydrophobicContact CG-CZ 4.34Å; M451-F464 HydrophobicContact SD-CD1 4.09Å; M451-F464 HydrophobicContact SD-CG 4.47Å; M451-P479 HydrophobicContact CE-CB 3.72Å; M451-P479 VanDerWaalsContact CE-O 3.23Å; M451-P479 WeakPolarHBondContact CE-O 3.02Å; M451-A482 HydrophobicContact CB-CB 3.9Å; M451-A482 HydrophobicContact CE-CB 4.25Å; M451-L483 HydrophobicContact CG-CB 4.21Å; M451-L483 HydrophobicContact CG-CD1 4.05Å; M451-L496 HydrophobicContact SD-CD1 4.44Å
452I90.7Very high86.6Confident29 Ų2933.4 Ų33.415%0.14919%0.193CC..Hα-helixtrans-62.1-43.5177.1-64.1171.8000110.7S448 L449 Q455 K456 A482S448-I452 WeakPolarHBondContact O-CG1 3.46Å; S448-I452 PolarHBondContact O-N 2.64Å; S448-I452 WeakPolarHBondContact OG-CD1 3.41Å; L449-I452 PolarHBondContact O-N 3.39Å; I452-Q455 PolarHBondContact O-N 3.06Å; I452-K456 HydrophobicContact CG2-CD 3.98Å; I452-K456 HydrophobicContact CG2-CG 4.42Å; I452-K456 WeakPolarHBondContact O-CB 3Å; I452-K456 WeakPolarHBondContact O-CG 3.22Å; I452-K456 PolarHBondContact O-N 2.75Å; I452-A482 HydrophobicContact CD1-CB 4.47Å; I452-A482 HydrophobicContact CG1-CB 3.94Å
453W91Very high88.1Confident56 Ų5629.8 Ų29.821%0.21216%0.163CC..Hα-helixtrans-65.5-45.5179.2176.589.9000111.8L372 V413 M419 P421 L449 M451 Q455 K456 T457 T459L372-W453 HydrophobicContact CD1-CE3 4.16Å; L372-W453 HydrophobicContact CD1-CZ3 3.95Å; V413-W453 HydrophobicContact CG1-CE3 4.22Å; V413-W453 HydrophobicContact CG1-CH2 4.1Å; V413-W453 HydrophobicContact CG1-CZ2 4.5Å; V413-W453 HydrophobicContact CG1-CZ3 3.95Å; M419-W453 HydrophobicContact CB-CB 4.41Å; M419-W453 HydrophobicContact CB-CG 4.26Å; M419-W453 HydrophobicContact CE-CB 4.14Å; M419-W453 HydrophobicContact CE-CD2 4.46Å; M419-W453 HydrophobicContact CE-CG 4.22Å; M419-W453 HydrophobicContact CG-CB 3.96Å; M419-W453 HydrophobicContact CG-CG 4.31Å; P421-W453 HydrophobicContact CG-CZ2 4.33Å; L449-W453 WeakPolarHBondContact O-CB 3.31Å; L449-W453 PolarHBondContact O-N 3.17Å; M451-W453 VanDerWaalsContact C-N 3.34Å; M451-W453 PolarHBondContact O-N 3.19Å; W453-Q455 VanDerWaalsContact C-N 3.25Å; W453-Q455 PolarHBondContact O-N 3.09Å; W453-K456 PolarHBondContact O-N 3.09Å; W453-T457 HydrophobicContact CD2-CG2 4.2Å; W453-T457 HydrophobicContact CG-CG2 4.48Å; W453-T457 HydrophobicContact CZ2-CG2 4Å; W453-T457 WeakPolarHBondContact O-CB 3.33Å; W453-T457 WeakPolarHBondContact O-CG2 3.49Å; W453-T457 PolarHBondContact O-N 3.17Å; W453-T457 PolarHBondContact O-OG1 3.42Å; W453-T459 HydrophobicContact CZ3-CG2 4.3Å
454A91.6Very high89.4Confident0 Ų028.6 Ų28.60%015%0.151CC..Hα-helixtrans-61.2-39.3177.500000111.1L372 P450 M451 T457 N458 T459 F464 Y486L372-A454 HydrophobicContact CD1-CB 3.72Å; P450-A454 WeakPolarHBondContact O-CB 3.37Å; P450-A454 PolarHBondContact O-N 2.76Å; M451-A454 PolarHBondContact O-N 3.15Å; A454-T457 PolarHBondContact O-OG1 3.43Å; A454-N458 PolarHBondContact O-N 3.39Å; A454-N458 VanDerWaalsContact O-N 3.1Å; A454-T459 PolarHBondContact O-N 3.29Å; A454-F464 HydrophobicContact CB-CE1 3.78Å; A454-F464 HydrophobicContact CB-CZ 3.78Å; A454-Y486 HydrophobicContact CB-CD2 4.01Å; A454-Y486 HydrophobicContact CB-CE2 3.49Å; A454-Y486 VanDerWaalsContact CB-CE2 3.49Å
455Q92.2Very high90.6Very high25 Ų2527.6 Ų27.612%0.11714%0.14CC..Hα-helixtrans-66.5-40.9175.5-168-167.628.500112.8M451 I452 W453 N458 E485 Y486 K489M451-Q455 VanDerWaalsContact O-CB 3.31Å; M451-Q455 WeakPolarHBondContact O-CB 3.34Å; M451-Q455 PolarHBondContact O-N 2.94Å; I452-Q455 PolarHBondContact O-N 3.06Å; W453-Q455 VanDerWaalsContact C-N 3.25Å; W453-Q455 PolarHBondContact O-N 3.09Å; Q455-N458 PolarHBondContact O-OD1 3.39Å; Q455-E485 PolarHBondContact NE2-O 2.93Å; Q455-Y486 HydrophobicContact CB-CD2 3.92Å; Q455-K489 HydrophobicContact CG-CB 4.27Å; Q455-K489 HydrophobicContact CG-CD 3.61Å; Q455-K489 HydrophobicContact CG-CG 4.42Å
456K90.7Very high91.3Very high157 Ų15727.4 Ų27.468%0.68314%0.139SC*.Hα-helixtrans-70.9-35.7179.8-77.6177.5-179.8176.20112.4I452 W453 N458I452-K456 HydrophobicContact CG2-CD 3.98Å; I452-K456 HydrophobicContact CG2-CG 4.42Å; I452-K456 WeakPolarHBondContact O-CB 3Å; I452-K456 WeakPolarHBondContact O-CG 3.22Å; I452-K456 PolarHBondContact O-N 2.75Å; W453-K456 PolarHBondContact O-N 3.09Å; K456-N458 VanDerWaalsContact C-N 3.34Å
457T90.4Very high91.6Very high63 Ų6326.8 Ų26.839%0.38714%0.136SC..Hα-helixtrans-88.6-2-179.256.40000113.4W453 A454 T459W453-T457 HydrophobicContact CD2-CG2 4.2Å; W453-T457 HydrophobicContact CG-CG2 4.48Å; W453-T457 HydrophobicContact CZ2-CG2 4Å; W453-T457 WeakPolarHBondContact O-CB 3.33Å; W453-T457 WeakPolarHBondContact O-CG2 3.49Å; W453-T457 PolarHBondContact O-N 3.17Å; W453-T457 PolarHBondContact O-OG1 3.42Å; A454-T457 PolarHBondContact O-OG1 3.43Å; T457-T459 PolarHBondContact O-N 2.93Å; T457-T459 PolarHBondContact OG1-OG1 3.11Å
458N91.1Very high91.7Very high109 Ų10926.8 Ų26.858%0.58314%0.136SC*.THydrogen-bonded Turntrans52.635-170.8-62.3-35.9000112.8A454 Q455 K456 P460 M490A454-N458 PolarHBondContact O-N 3.39Å; A454-N458 VanDerWaalsContact O-N 3.1Å; Q455-N458 PolarHBondContact O-OD1 3.39Å; K456-N458 VanDerWaalsContact C-N 3.34Å; N458-P460 WeakPolarHBondContact O-CD 3.49Å; N458-M490 HydrophobicContact CB-CE 4.28Å
459T91.8Very high91.4Very high18 Ų1826.9 Ų26.911%0.1114%0.136CC..  trans-79.6117.7177.2-58.30000109Y411 W453 A454 T457 Y486Y411-T459 HydrophobicContact CD1-CG2 4.3Å; Y411-T459 HydrophobicContact CD2-CG2 4.09Å; Y411-T459 HydrophobicContact CE1-CG2 4.4Å; Y411-T459 HydrophobicContact CE2-CG2 4.22Å; Y411-T459 HydrophobicContact CG-CG2 4.15Å; W453-T459 HydrophobicContact CZ3-CG2 4.3Å; A454-T459 PolarHBondContact O-N 3.29Å; T457-T459 PolarHBondContact O-N 2.93Å; T457-T459 PolarHBondContact OG1-OG1 3.11Å; T459-Y486 PolarHBondContact O-OH 2.79Å
460P93.3Very high91Very high44 Ų4425.5 Ų25.529%0.28613%0.129SC..  trans-81.6124.7-178.532.6-33.4000111.5R370 N458 Y486 I492R370-P460 VanDerWaalsContact NH1-CB 3.33Å; N458-P460 WeakPolarHBondContact O-CD 3.49Å; P460-Y486 WeakPolarHBondContact CA-OH 3.4Å; P460-I492 HydrophobicContact CB-CD1 3.82Å
461A94.6Very high90.4Very high0 Ų025.5 Ų25.50%013%0.129CC..  trans-137.8128.2-179.600000109.8L372 F464 Y486 I492L372-A461 HydrophobicContact CB-CB 3.85Å; L372-A461 HydrophobicContact CD1-CB 4.48Å; A461-F464 HydrophobicContact CB-CD2 4.48Å; A461-F464 HydrophobicContact CB-CE1 4.49Å; A461-F464 HydrophobicContact CB-CE2 3.89Å; A461-F464 HydrophobicContact CB-CZ 3.89Å; A461-Y486 PolarHBondContact N-OH 3.2Å; A461-I492 WeakPolarHBondContact O-CG2 3.47Å
462D95Very high89.8Confident32 Ų3225.6 Ų25.617%0.17113%0.13CC..SBendtrans-84.9-30.8175-58-51.5000110.9K369 R370 A494 K495K369-D462 HydrophobicContact CB-CB 4.2Å; R370-D462 WeakPolarHBondContact CB-OD2 3.35Å; R370-D462 WeakPolarHBondContact CG-OD2 3.49Å; R370-D462 IonicContact CZ-OD1 3.27Å; R370-D462 IonicContact CZ-OD2 2.71Å; R370-D462 PolarHBondContact N-OD2 2.95Å; R370-D462 IonicContact NE-OD1 2.87Å; R370-D462 PolarHBondContact NE-OD1 2.84Å; R370-D462 IonicContact NE-OD2 2.74Å; R370-D462 PolarHBondContact NE-OD2 3.4Å; R370-D462 IonicContact NH2-OD1 2.84Å; R370-D462 PolarHBondContact NH2-OD1 2.68Å; R370-D462 IonicContact NH2-OD2 3.06Å; R370-D462 PolarHBondContact O-N 3.42Å; D462-A494 CarbonylContact O-C 3.58Å; D462-A494 VanDerWaalsContact O-CA 3.32Å; D462-A494 WeakPolarHBondContact O-CA 3.24Å; D462-K495 PolarHBondContact O-N 3.47Å
463V95.1Very high89.1Confident1 Ų127.1 Ų27.11%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-136.4124.3-178-173.90000110.4R370 F371 L372 I465 K495 I497 T534R370-V463 PolarHBondContact O-N 2.91Å; F371-V463 CarbonylContact C-O 3.56Å; F371-V463 WeakPolarHBondContact CA-O 3.35Å; F371-V463 HydrophobicContact CD1-CB 3.77Å; F371-V463 HydrophobicContact CD1-CG1 3.93Å; F371-V463 HydrophobicContact CE1-CB 3.78Å; F371-V463 HydrophobicContact CE1-CG1 3.79Å; F371-V463 HydrophobicContact CE1-CG2 4.1Å; F371-V463 HydrophobicContact CG-CB 4.44Å; F371-V463 HydrophobicContact CZ-CB 4.45Å; F371-V463 HydrophobicContact CZ-CG2 4.33Å; L372-V463 PolarHBondContact N-O 2.92Å; V463-I465 HydrophobicContact CG1-CG1 4.09Å; V463-K495 WeakPolarHBondContact CA-O 3.46Å; V463-I497 HydrophobicContact CG1-CD1 3.72Å; V463-I497 HydrophobicContact CG1-CG1 4.03Å; V463-T534 HydrophobicContact CG2-CG2 3.68Å
464F95.3Very high88.1Confident0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-94.7128167.7-69.3-99.2000108.6L372 P450 M451 A454 A461 L483 Y486 A494 K495 L496 I497L372-F464 HydrophobicContact CB-CD1 4.11Å; L372-F464 HydrophobicContact CB-CE1 4.23Å; L372-F464 HydrophobicContact CD1-CD1 4.32Å; L372-F464 HydrophobicContact CD1-CE1 3.77Å; L372-F464 HydrophobicContact CD1-CZ 4.49Å; L372-F464 HydrophobicContact CD2-CD1 3.82Å; L372-F464 HydrophobicContact CD2-CE1 4.07Å; L372-F464 HydrophobicContact CG-CD1 4.31Å; L372-F464 HydrophobicContact CG-CE1 4.25Å; L372-F464 CarbonylContact O-C 3.54Å; L372-F464 WeakPolarHBondContact O-CA 3.34Å; P450-F464 HydrophobicContact CB-CD1 4.4Å; M451-F464 HydrophobicContact CB-CE1 4.46Å; M451-F464 HydrophobicContact CG-CD1 3.98Å; M451-F464 HydrophobicContact CG-CE1 4.01Å; M451-F464 HydrophobicContact CG-CG 4.3Å; M451-F464 HydrophobicContact CG-CZ 4.34Å; M451-F464 HydrophobicContact SD-CD1 4.09Å; M451-F464 HydrophobicContact SD-CG 4.47Å; A454-F464 HydrophobicContact CB-CE1 3.78Å; A454-F464 HydrophobicContact CB-CZ 3.78Å; A461-F464 HydrophobicContact CB-CD2 4.48Å; A461-F464 HydrophobicContact CB-CE1 4.49Å; A461-F464 HydrophobicContact CB-CE2 3.89Å; A461-F464 HydrophobicContact CB-CZ 3.89Å; F464-L483 HydrophobicContact CD2-CD1 3.97Å; F464-L483 HydrophobicContact CE2-CD1 4.28Å; F464-Y486 AromaticContact CE2-CD1 3.81Å; F464-Y486 HydrophobicContact CE2-CD1 3.81Å; F464-Y486 AromaticContact CE2-CE1 3.68Å; F464-Y486 HydrophobicContact CE2-CE1 3.68Å; F464-Y486 HydrophobicContact CE2-CE2 4.43Å; F464-Y486 HydrophobicContact CE2-CG 4.26Å; F464-Y486 HydrophobicContact CZ-CD1 4.06Å; F464-Y486 AromaticContact CZ-CD2 3.95Å; F464-Y486 HydrophobicContact CZ-CD2 3.95Å; F464-Y486 AromaticContact CZ-CE1 3.9Å; F464-Y486 HydrophobicContact CZ-CE1 3.9Å; F464-Y486 AromaticContact CZ-CE2 3.8Å; F464-Y486 HydrophobicContact CZ-CE2 3.8Å; F464-Y486 HydrophobicContact CZ-CG 4.1Å; F464-Y486 AromaticContact CZ-CZ 3.77Å; F464-A494 HydrophobicContact CD2-CB 4.19Å; F464-A494 HydrophobicContact CE2-CB 3.88Å; F464-K495 PolarHBondContact N-O 3.34Å; F464-L496 HydrophobicContact CB-CD1 3.79Å; F464-L496 CarbonylContact O-C 3.59Å; F464-L496 WeakPolarHBondContact O-CA 3.49Å; F464-I497 PolarHBondContact O-N 3.43Å
465I93.6Very high87.3Confident0 Ų027.2 Ų27.20%015%0.148CC..EExtended strand (participates in β ladder)trans-116116169.4-50.7-171000108.2F371 L372 L373 A374 V403 V463 F467 I497 C499 I530F371-I465 HydrophobicContact CD1-CD1 3.84Å; F371-I465 HydrophobicContact CD1-CG1 4.19Å; F371-I465 HydrophobicContact CE1-CD1 4.07Å; L372-I465 PolarHBondContact O-N 2.89Å; L373-I465 HydrophobicContact CD2-CB 3.73Å; L373-I465 HydrophobicContact CD2-CD1 3.71Å; L373-I465 HydrophobicContact CD2-CG1 3.81Å; A374-I465 PolarHBondContact N-O 2.82Å; V403-I465 HydrophobicContact CG1-CD1 4.49Å; V403-I465 HydrophobicContact CG2-CD1 4.5Å; V463-I465 HydrophobicContact CG1-CG1 4.09Å; I465-F467 HydrophobicContact CB-CE2 4.33Å; I465-F467 HydrophobicContact CG2-CD2 4.32Å; I465-F467 HydrophobicContact CG2-CE1 4.09Å; I465-F467 HydrophobicContact CG2-CE2 3.73Å; I465-F467 HydrophobicContact CG2-CZ 3.6Å; I465-I497 CarbonylContact C-O 3.55Å; I465-I497 WeakPolarHBondContact CA-O 3.45Å; I465-I497 HydrophobicContact CD1-CD1 4.39Å; I465-I497 HydrophobicContact CG1-CB 4.21Å; I465-I497 HydrophobicContact CG1-CD1 4.31Å; I465-I497 HydrophobicContact CG2-CB 4.46Å; I465-I497 HydrophobicContact CG2-CG2 4.48Å; I465-C499 HydrophobicContact CG2-CB 4.26Å; I465-I530 HydrophobicContact CD1-CD1 4.2Å; I465-I530 HydrophobicContact CD1-CG2 3.99Å
466V92.5Very high86.6Confident0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-107.9114.1-179.9-176.50000109A374 F415 P450 T468 L496 I497 C499 I508A374-V466 HydrophobicContact CB-CG2 4.24Å; A374-V466 WeakPolarHBondContact O-CA 3.4Å; F415-V466 HydrophobicContact CE1-CG1 3.9Å; F415-V466 HydrophobicContact CZ-CG1 3.71Å; P450-V466 HydrophobicContact CG-CG2 4.42Å; V466-T468 HydrophobicContact CG1-CG2 3.89Å; V466-L496 HydrophobicContact CB-CD1 4.47Å; V466-L496 HydrophobicContact CG2-CD1 3.63Å; V466-I497 PolarHBondContact N-O 2.76Å; V466-C499 PolarHBondContact O-N 3.23Å; V466-I508 HydrophobicContact CG1-CD1 4.29Å
467F90.4Very high86.4Confident0 Ų021.7 Ų21.70%014%0.138CC..EExtended strand (participates in β ladder)trans-92.7106.5175.1-58.2-86.6000109.4L373 A374 V375 D376 A396 M399 C400 I465 C499 M501L373-F467 HydrophobicContact CB-CE2 4.45Å; A374-F467 PolarHBondContact O-N 2.78Å; V375-F467 HydrophobicContact CG2-CD2 3.95Å; D376-F467 WeakPolarHBondContact CB-O 3.42Å; D376-F467 PolarHBondContact N-O 2.83Å; A396-F467 HydrophobicContact CB-CB 3.61Å; A396-F467 HydrophobicContact CB-CD1 4.4Å; A396-F467 HydrophobicContact CB-CG 4.05Å; M399-F467 HydrophobicContact CB-CD1 4.34Å; M399-F467 HydrophobicContact CB-CE1 3.53Å; M399-F467 HydrophobicContact CB-CZ 3.9Å; M399-F467 HydrophobicContact CG-CE1 4.35Å; C400-F467 HydrophobicContact CB-CE2 4.33Å; I465-F467 HydrophobicContact CB-CE2 4.33Å; I465-F467 HydrophobicContact CG2-CD2 4.32Å; I465-F467 HydrophobicContact CG2-CE1 4.09Å; I465-F467 HydrophobicContact CG2-CE2 3.73Å; I465-F467 HydrophobicContact CG2-CZ 3.6Å; F467-C499 HydrophobicContact CD1-CB 3.51Å; F467-C499 VanDerWaalsContact CD1-SG 3.59Å; F467-C499 HydrophobicContact CE1-CB 3.86Å; F467-C499 VanDerWaalsContact CE1-SG 3.58Å; F467-C499 HydrophobicContact CG-CB 4.2Å; F467-M501 HydrophobicContact CD1-SD 4.29Å
468T87.9Confident86.2Confident0 Ų018.8 Ų18.80%012%0.121CC..EExtended strand (participates in β ladder)trans-152.4167.7-173.9-178.80000111D376 V466 N470 C499 G500 M501 I508D376-T468 WeakPolarHBondContact OD2-CB 3.5Å; D376-T468 PolarHBondContact OD2-OG1 3.49Å; V466-T468 HydrophobicContact CG1-CG2 3.89Å; T468-N470 VanDerWaalsContact C-N 3.33Å; T468-N470 PolarHBondContact OG1-N 3.4Å; T468-N470 VanDerWaalsContact OG1-N 3.12Å; T468-C499 PolarHBondContact N-O 2.92Å; T468-G500 WeakPolarHBondContact O-CA 3.07Å; T468-M501 PolarHBondContact O-N 3.32Å; T468-I508 HydrophobicContact CG2-CD1 4.46Å
469D80.4Confident86.1Confident2 Ų213.7 Ų13.71%0.0119%0.093CC..  trans-90.55.5165.865.52000113.4S380 E471 T502 N504S380-D469 WeakPolarHBondContact CB-OD2 3.34Å; S380-D469 PolarHBondContact OG-OD2 3.22Å; D469-E471 VanDerWaalsContact C-N 3.26Å; D469-E471 PolarHBondContact O-N 3.48Å; D469-E471 WeakPolarHBondContact OD1-CB 3.44Å; D469-E471 PolarHBondContact OD1-N 2.94Å; D469-T502 HydrophobicContact CB-CG2 3.89Å; D469-N504 PolarHBondContact O-ND2 3.38Å
470N79.8Confident85.9Confident0 Ų012.8 Ų12.80%09%0.088CC..SBendtrans6815.6178-56.4-65000115.2R35 T468 T472 V498 F506 I508R35-N470 PolarHBondContact NH2-ND2 3.16Å; T468-N470 VanDerWaalsContact C-N 3.33Å; T468-N470 PolarHBondContact OG1-N 3.4Å; T468-N470 VanDerWaalsContact OG1-N 3.12Å; N470-T472 PolarHBondContact O-N 2.95Å; N470-T472 VanDerWaalsContact O-N 3.11Å; N470-V498 WeakPolarHBondContact OD1-CG1 3.41Å; N470-F506 HydrophobicContact CB-CB 4.01Å; N470-F506 PolarHBondContact ND2-O 3.2Å; N470-I508 HydrophobicContact CB-CG2 4.45Å
471E78.2Confident85.8Confident0 Ų012.4 Ų12.40%09%0.085CC..  trans-88.655.7178.7-59.6-77.2-175.700110.9N18 S19 Y47 T445 D469 N504 F506N18-E471 WeakPolarHBondContact CB-OE2 3.46Å; S19-E471 WeakPolarHBondContact CB-OE1 3.46Å; S19-E471 WeakPolarHBondContact CB-OE2 3.44Å; S19-E471 PolarHBondContact N-OE2 3.11Å; S19-E471 PolarHBondContact OG-OE1 2.78Å; S19-E471 PolarHBondContact OG-OE2 3.28Å; Y47-E471 HydrophobicContact CD2-CB 4.45Å; Y47-E471 HydrophobicContact CD2-CG 3.75Å; Y47-E471 HydrophobicContact CE2-CB 3.91Å; Y47-E471 HydrophobicContact CE2-CG 3.69Å; T445-E471 WeakPolarHBondContact CB-O 3.3Å; D469-E471 VanDerWaalsContact C-N 3.26Å; D469-E471 PolarHBondContact O-N 3.48Å; D469-E471 WeakPolarHBondContact OD1-CB 3.44Å; D469-E471 PolarHBondContact OD1-N 2.94Å; E471-N504 PolarHBondContact OE1-ND2 3.24Å; E471-F506 WeakPolarHBondContact OE1-CD2 3.48Å; E471-F506 WeakPolarHBondContact OE1-CE2 3.4Å
472T80.2Confident85.6Confident1 Ų112.4 Ų12.41%0.0069%0.085CC..  trans-79.4135.8179.3-162.30000111.4Q7 N18 V24 T445 C447 N470 I508Q7-T472 PolarHBondContact NE2-OG1 3.11Å; Q7-T472 PolarHBondContact OE1-OG1 3.16Å; N18-T472 PolarHBondContact ND2-N 2.97Å; N18-T472 PolarHBondContact ND2-O 2.9Å; V24-T472 HydrophobicContact CG1-CG2 3.81Å; T445-T472 PolarHBondContact O-OG1 3.36Å; C447-T472 PolarHBondContact N-OG1 2.93Å; C447-T472 VanDerWaalsContact N-OG1 3.07Å; N470-T472 PolarHBondContact O-N 2.95Å; N470-T472 VanDerWaalsContact O-N 3.11Å; T472-I508 HydrophobicContact CG2-CG2 3.8Å
473F75.5Confident85.5Confident61 Ų6110.9 Ų10.927%0.2688%0.076SC..  trans-151.1-20.8178.671.7-86.4000114M8 Q20 T445M8-F473 HydrophobicContact SD-CB 4.34Å; Q20-F473 HydrophobicContact CB-CB 4.06Å; Q20-F473 HydrophobicContact CB-CD1 3.95Å; Q20-F473 HydrophobicContact CB-CG 4.06Å; Q20-F473 HydrophobicContact CG-CD1 4.19Å; T445-F473 PolarHBondContact O-N 3.45Å
474A71.3Confident85.4Confident53 Ų5315.1 Ų15.144%0.4389%0.092SC..SBendtrans-89-8.2-167.200000114.3T445 D446T445-A474 PolarHBondContact O-N 3.05Å; T445-A474 VanDerWaalsContact O-N 3.12Å; D446-A474 HydrophobicContact CB-CB 4.48Å
475G74.6Confident85.3Confident5 Ų518.9 Ų18.95%0.05211%0.11CC..  trans-85142.4-170.800000115.1Q7 D446 V477Q7-G475 WeakPolarHBondContact CB-O 3.41Å; Q7-G475 VanDerWaalsContact CD-CA 3.47Å; Q7-G475 WeakPolarHBondContact CG-O 3.5Å; Q7-G475 PolarHBondContact N-O 3.41Å; Q7-G475 VanDerWaalsContact N-O 3.12Å; Q7-G475 VanDerWaalsContact OE1-N 3.07Å; D446-G475 WeakPolarHBondContact OD1-CA 3.2Å; D446-G475 WeakPolarHBondContact OD2-CA 3.47Å; G475-V477 PolarHBondContact O-N 3.24Å
476G77.2Confident85.4Confident45 Ų4518.9 Ų18.946%0.46411%0.11SC..SBendtrans-71.9-11.4173.600000114.2N6N6-G476 WeakPolarHBondContact CA-O 3.37Å
477V86.4Confident85.5Confident21 Ų2121.3 Ų21.313%0.12712%0.119CC..SBendtrans-141.8147.7179.6-175.70000109.2Q7 S448 G475 V481Q7-V477 WeakPolarHBondContact CG-O 3.31Å; Q7-V477 PolarHBondContact NE2-O 3.4Å; S448-V477 VanDerWaalsContact CB-O 3.28Å; S448-V477 WeakPolarHBondContact CB-O 3.48Å; S448-V477 PolarHBondContact OG-O 3.19Å; G475-V477 PolarHBondContact O-N 3.24Å; V477-V481 HydrophobicContact CG1-CB 3.7Å; V477-V481 HydrophobicContact CG1-CG1 3.64Å
478H86.3Confident85.7Confident2 Ų229.8 Ų29.81%0.00916%0.156CC..  trans-70.8144173.7-79.7-100.4000112.5N6 Q9 L11 Q15 Y23 A480 V481 A482N6-H478 PolarHBondContact O-CD2 3.43Å; N6-H478 PolarHBondContact O-NE2 3.19Å; Q9-H478 PolarHBondContact O-NE2 2.91Å; L11-H478 HydrophobicContact CD1-CB 3.53Å; L11-H478 VanDerWaalsContact CD1-CG 3.48Å; L11-H478 HydrophobicContact CD2-CB 4.16Å; L11-H478 HydrophobicContact CG-CB 4.01Å; L11-H478 VanDerWaalsContact CG-CD2 3.47Å; L11-H478 WeakPolarHBondContact CG-CD2 3.44Å; L11-H478 VanDerWaalsContact CG-CG 3.49Å; Q15-H478 PolarHBondContact NE2-CE1 3.09Å; Q15-H478 PolarHBondContact NE2-ND1 3.33Å; Q15-H478 PolarHBondContact OE1-CE1 3.47Å; Q15-H478 VanDerWaalsContact OE1-CE1 3.27Å; Y23-H478 PolarHBondContact O-CE1 2.93Å; Y23-H478 PolarHBondContact O-ND1 3.44Å; H478-A480 VanDerWaalsContact C-N 3.28Å; H478-A480 PolarHBondContact O-N 3.36Å; H478-V481 HydrophobicContact CB-CB 4.45Å; H478-V481 HydrophobicContact CB-CG2 4.14Å; H478-V481 PolarHBondContact O-N 2.92Å; H478-A482 PolarHBondContact O-N 3.38Å
479P88.1Confident85.9Confident2 Ų236 Ų361%0.01318%0.183CC..Hα-helixtrans-53.8-40.7177.9-27.535.7000114C447 M451 V481 A482 L483 I508C447-P479 HydrophobicContact CB-CG 3.78Å; M451-P479 HydrophobicContact CE-CB 3.72Å; M451-P479 VanDerWaalsContact CE-O 3.23Å; M451-P479 WeakPolarHBondContact CE-O 3.02Å; P479-V481 VanDerWaalsContact C-N 3.33Å; P479-V481 PolarHBondContact O-N 3.3Å; P479-A482 PolarHBondContact O-N 3.4Å; P479-L483 PolarHBondContact O-N 3.42Å; P479-I508 HydrophobicContact CB-CB 4.19Å; P479-I508 HydrophobicContact CB-CD1 4.18Å; P479-I508 HydrophobicContact CG-CB 4.04Å; P479-I508 HydrophobicContact CG-CD1 4.29Å; P479-I508 HydrophobicContact CG-CG2 4.23Å
480A89.1Confident86.5Confident0 Ų037.7 Ų37.70%019%0.192CC..Hα-helixtrans-64.1-37.1178.100000112.9W25 H478 R484 D510 M516W25-A480 HydrophobicContact CH2-CB 3.61Å; W25-A480 HydrophobicContact CZ3-CB 3.85Å; H478-A480 VanDerWaalsContact C-N 3.28Å; H478-A480 PolarHBondContact O-N 3.36Å; A480-R484 WeakPolarHBondContact O-CG 3.44Å; A480-R484 PolarHBondContact O-N 2.81Å; A480-D510 HydrophobicContact CB-CB 4.1Å; A480-M516 HydrophobicContact CB-CE 3.7Å; A480-M516 HydrophobicContact CB-SD 4.06Å
481V89.8Confident87.2Confident35 Ų3544.9 Ų44.921%0.21223%0.23CC..Hα-helixtrans-69.7-45.3176176.90000109.9L11 V477 H478 P479 L483 R484 E485L11-V481 HydrophobicContact CD1-CG2 3.97Å; L11-V481 HydrophobicContact CD2-CG2 3.72Å; V477-V481 HydrophobicContact CG1-CB 3.7Å; V477-V481 HydrophobicContact CG1-CG1 3.64Å; H478-V481 HydrophobicContact CB-CB 4.45Å; H478-V481 HydrophobicContact CB-CG2 4.14Å; H478-V481 PolarHBondContact O-N 2.92Å; P479-V481 VanDerWaalsContact C-N 3.33Å; P479-V481 PolarHBondContact O-N 3.3Å; V481-L483 VanDerWaalsContact C-N 3.27Å; V481-L483 PolarHBondContact O-N 3.22Å; V481-R484 WeakPolarHBondContact O-CB 3.44Å; V481-R484 PolarHBondContact O-N 3.36Å; V481-E485 HydrophobicContact CG1-CG 4.39Å; V481-E485 WeakPolarHBondContact O-CG 3.34Å; V481-E485 PolarHBondContact O-N 2.96Å
482A91.5Very high87.9Confident0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-58-38.4176.600000112.4M451 I452 H478 P479 E485 Y486M451-A482 HydrophobicContact CB-CB 3.9Å; M451-A482 HydrophobicContact CE-CB 4.25Å; I452-A482 HydrophobicContact CD1-CB 4.47Å; I452-A482 HydrophobicContact CG1-CB 3.94Å; H478-A482 PolarHBondContact O-N 3.38Å; P479-A482 PolarHBondContact O-N 3.4Å; A482-E485 PolarHBondContact O-N 2.98Å; A482-Y486 WeakPolarHBondContact O-CB 3.4Å; A482-Y486 PolarHBondContact O-N 3.12Å
483L93.2Very high88.6Confident0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-65.3-43173.7-174.868.3000112.4M451 F464 P479 V481 E485 Y486 R487 A494 L496 M516M451-L483 HydrophobicContact CG-CB 4.21Å; M451-L483 HydrophobicContact CG-CD1 4.05Å; F464-L483 HydrophobicContact CD2-CD1 3.97Å; F464-L483 HydrophobicContact CE2-CD1 4.28Å; P479-L483 PolarHBondContact O-N 3.42Å; V481-L483 VanDerWaalsContact C-N 3.27Å; V481-L483 PolarHBondContact O-N 3.22Å; L483-E485 VanDerWaalsContact C-N 3.33Å; L483-E485 PolarHBondContact O-N 3.34Å; L483-Y486 WeakPolarHBondContact O-CB 3.4Å; L483-Y486 PolarHBondContact O-N 3.47Å; L483-R487 WeakPolarHBondContact O-CG 3.49Å; L483-R487 PolarHBondContact O-N 2.87Å; L483-A494 HydrophobicContact CD1-CB 4.23Å; L483-L496 HydrophobicContact CD1-CB 4.34Å; L483-L496 HydrophobicContact CD2-CB 3.5Å; L483-L496 VanDerWaalsContact CD2-CB 3.5Å; L483-L496 HydrophobicContact CD2-CD2 4.35Å; L483-L496 HydrophobicContact CG-CB 4.5Å; L483-M516 HydrophobicContact CB-CE 4.28Å; L483-M516 HydrophobicContact CD2-CE 3.55Å; L483-M516 HydrophobicContact CD2-CG 3.79Å; L483-M516 HydrophobicContact CD2-SD 4.07Å; L483-M516 HydrophobicContact CG-CE 4.45Å
484R93Very high89.5Confident90 Ų9048.1 Ų48.134%0.3426%0.256SS..Hα-helixtrans-63.4-40.1177.1-70.3170.7-174.5148.64.2111.7A480 V481 R487 K488 D510 D513A480-R484 WeakPolarHBondContact O-CG 3.44Å; A480-R484 PolarHBondContact O-N 2.81Å; V481-R484 WeakPolarHBondContact O-CB 3.44Å; V481-R484 PolarHBondContact O-N 3.36Å; R484-R487 PolarHBondContact O-N 2.92Å; R484-K488 WeakPolarHBondContact O-CG 3.35Å; R484-K488 PolarHBondContact O-N 2.89Å; R484-D510 IonicContact CZ-OD2 3.66Å; R484-D510 IonicContact NH1-OD2 3.92Å; R484-D510 IonicContact NH2-OD2 3.87Å; R484-D510 PolarHBondContact NH2-OD2 3.27Å; R484-D513 IonicContact NE-OD2 2.76Å
485E92.8Very high90.6Very high80 Ų8046.9 Ų46.937%0.37424%0.241SC..Hα-helixtrans-66.1-39.6174.9-71.1-175.9172.500112.2Q455 V481 A482 L483 K488 K489Q455-E485 PolarHBondContact NE2-O 2.93Å; V481-E485 HydrophobicContact CG1-CG 4.39Å; V481-E485 WeakPolarHBondContact O-CG 3.34Å; V481-E485 PolarHBondContact O-N 2.96Å; A482-E485 PolarHBondContact O-N 2.98Å; L483-E485 VanDerWaalsContact C-N 3.33Å; L483-E485 PolarHBondContact O-N 3.34Å; E485-K488 PolarHBondContact O-N 3.07Å; E485-K489 WeakPolarHBondContact O-CB 3.47Å; E485-K489 PolarHBondContact O-N 3.12Å
486Y94.6Very high91.5Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-59.1-51.4172.7-179.5-87.5000111.1A454 Q455 T459 P460 A461 F464 A482 L483 K488 K489 M490 I492 A494A454-Y486 HydrophobicContact CB-CD2 4.01Å; A454-Y486 HydrophobicContact CB-CE2 3.49Å; A454-Y486 VanDerWaalsContact CB-CE2 3.49Å; Q455-Y486 HydrophobicContact CB-CD2 3.92Å; T459-Y486 PolarHBondContact O-OH 2.79Å; P460-Y486 WeakPolarHBondContact CA-OH 3.4Å; A461-Y486 PolarHBondContact N-OH 3.2Å; F464-Y486 AromaticContact CE2-CD1 3.81Å; F464-Y486 HydrophobicContact CE2-CD1 3.81Å; F464-Y486 AromaticContact CE2-CE1 3.68Å; F464-Y486 HydrophobicContact CE2-CE1 3.68Å; F464-Y486 HydrophobicContact CE2-CE2 4.43Å; F464-Y486 HydrophobicContact CE2-CG 4.26Å; F464-Y486 HydrophobicContact CZ-CD1 4.06Å; F464-Y486 AromaticContact CZ-CD2 3.95Å; F464-Y486 HydrophobicContact CZ-CD2 3.95Å; F464-Y486 AromaticContact CZ-CE1 3.9Å; F464-Y486 HydrophobicContact CZ-CE1 3.9Å; F464-Y486 AromaticContact CZ-CE2 3.8Å; F464-Y486 HydrophobicContact CZ-CE2 3.8Å; F464-Y486 HydrophobicContact CZ-CG 4.1Å; F464-Y486 AromaticContact CZ-CZ 3.77Å; A482-Y486 WeakPolarHBondContact O-CB 3.4Å; A482-Y486 PolarHBondContact O-N 3.12Å; L483-Y486 WeakPolarHBondContact O-CB 3.4Å; L483-Y486 PolarHBondContact O-N 3.47Å; Y486-K488 VanDerWaalsContact C-N 3.33Å; Y486-K488 PolarHBondContact O-N 2.72Å; Y486-K489 PolarHBondContact O-N 2.61Å; Y486-M490 HydrophobicContact CD1-CG 4.44Å; Y486-M490 HydrophobicContact CD2-CG 3.9Å; Y486-M490 HydrophobicContact CE1-CB 4.18Å; Y486-M490 HydrophobicContact CE1-CG 4.17Å; Y486-M490 HydrophobicContact CE2-CB 4.45Å; Y486-M490 HydrophobicContact CE2-CG 3.58Å; Y486-M490 HydrophobicContact CG-CG 4.31Å; Y486-M490 WeakPolarHBondContact O-CB 3.23Å; Y486-M490 PolarHBondContact O-N 3.23Å; Y486-I492 HydrophobicContact CE1-CB 4.46Å; Y486-A494 HydrophobicContact CD1-CB 3.74Å; Y486-A494 HydrophobicContact CE1-CB 3.72Å
487R95.3Very high92.2Very high51 Ų5144.5 Ų44.519%0.19222%0.216CC..Hα-helixtrans-54.4-47.9177.6-71.7171.1177.9164.71.7111.8L483 R484 D491 I492 A494 D513 G515L483-R487 WeakPolarHBondContact O-CG 3.49Å; L483-R487 PolarHBondContact O-N 2.87Å; R484-R487 PolarHBondContact O-N 2.92Å; R487-D491 WeakPolarHBondContact O-CA 3.41Å; R487-D491 PolarHBondContact O-N 3.32Å; R487-I492 WeakPolarHBondContact CA-O 3.45Å; R487-I492 WeakPolarHBondContact CG-O 3.28Å; R487-A494 HydrophobicContact CG-CB 4.27Å; R487-A494 VanDerWaalsContact CZ-O 3.22Å; R487-A494 PolarHBondContact NE-O 3.15Å; R487-A494 PolarHBondContact NH2-O 3.2Å; R487-D513 IonicContact CZ-OD1 3.95Å; R487-D513 IonicContact CZ-OD2 2.69Å; R487-D513 VanDerWaalsContact NH1-CG 3.32Å; R487-D513 IonicContact NH1-OD1 3.79Å; R487-D513 PolarHBondContact NH1-OD1 3.48Å; R487-D513 IonicContact NH1-OD2 2.64Å; R487-D513 PolarHBondContact NH1-OD2 3.39Å; R487-D513 IonicContact NH2-OD1 3.35Å; R487-D513 PolarHBondContact NH2-OD1 3.22Å; R487-G515 PolarHBondContact NH2-O 3.43Å
488K93.8Very high92.4Very high178 Ų17843.5 Ų43.577%0.77421%0.21SC*.Hα-helixtrans-64.6-42.7-179.7-74.1177.4-178-1790112.9R484 E485 Y486R484-K488 WeakPolarHBondContact O-CG 3.35Å; R484-K488 PolarHBondContact O-N 2.89Å; E485-K488 PolarHBondContact O-N 3.07Å; Y486-K488 VanDerWaalsContact C-N 3.33Å; Y486-K488 PolarHBondContact O-N 2.72Å
489K94Very high92.6Very high129 Ų12943.4 Ų43.456%0.56121%0.209SC*.Hα-helixtrans-82.2-34.7-173.3-168.8177.1174-166.90113.1Q455 E485 Y486Q455-K489 HydrophobicContact CG-CB 4.27Å; Q455-K489 HydrophobicContact CG-CD 3.61Å; Q455-K489 HydrophobicContact CG-CG 4.42Å; E485-K489 WeakPolarHBondContact O-CB 3.47Å; E485-K489 PolarHBondContact O-N 3.12Å; Y486-K489 PolarHBondContact O-N 2.61Å
490M92.6Very high92.4Very high39 Ų3943.3 Ų43.319%0.19221%0.209CC..Hα-helixtrans-91.8-11.7-178.6-61.6-63-6900113.1N458 Y486 I492N458-M490 HydrophobicContact CB-CE 4.28Å; Y486-M490 HydrophobicContact CD1-CG 4.44Å; Y486-M490 HydrophobicContact CD2-CG 3.9Å; Y486-M490 HydrophobicContact CE1-CB 4.18Å; Y486-M490 HydrophobicContact CE1-CG 4.17Å; Y486-M490 HydrophobicContact CE2-CB 4.45Å; Y486-M490 HydrophobicContact CE2-CG 3.58Å; Y486-M490 HydrophobicContact CG-CG 4.31Å; Y486-M490 WeakPolarHBondContact O-CB 3.23Å; Y486-M490 PolarHBondContact O-N 3.23Å; M490-I492 HydrophobicContact CB-CD1 4.03Å; M490-I492 HydrophobicContact CB-CG1 4.2Å; M490-I492 PolarHBondContact O-N 2.7Å
491D94.3Very high92.2Very high151 Ų15143.4 Ų43.481%0.80721%0.209SC*.THydrogen-bonded Turntrans54.340.4-173.7-162.436.4000112.7R487R487-D491 WeakPolarHBondContact O-CA 3.41Å; R487-D491 PolarHBondContact O-N 3.32Å
492I93.3Very high91.9Very high17 Ų1742 Ų429%0.08720%0.201CC..  trans-119.1130.1178.2-62.2168.2000107.9P460 A461 Y486 R487 M490 A494P460-I492 HydrophobicContact CB-CD1 3.82Å; A461-I492 WeakPolarHBondContact O-CG2 3.47Å; Y486-I492 HydrophobicContact CE1-CB 4.46Å; R487-I492 WeakPolarHBondContact CA-O 3.45Å; R487-I492 WeakPolarHBondContact CG-O 3.28Å; M490-I492 HydrophobicContact CB-CD1 4.03Å; M490-I492 HydrophobicContact CB-CG1 4.2Å; M490-I492 PolarHBondContact O-N 2.7Å; I492-A494 HydrophobicContact CG2-CB 4.28Å; I492-A494 PolarHBondContact O-N 3.13Å
493P93.2Very high91.3Very high113 Ų11342.1 Ų42.173%0.73420%0.202SC*.  trans-7558.7174.433.5-36.5000110.9
494A94.6Very high90.7Very high0 Ų042.2 Ų42.20%020%0.202CC..  trans-65138.5-172.800000111.7D462 F464 L483 Y486 R487 I492D462-A494 CarbonylContact O-C 3.58Å; D462-A494 VanDerWaalsContact O-CA 3.32Å; D462-A494 WeakPolarHBondContact O-CA 3.24Å; F464-A494 HydrophobicContact CD2-CB 4.19Å; F464-A494 HydrophobicContact CE2-CB 3.88Å; L483-A494 HydrophobicContact CD1-CB 4.23Å; Y486-A494 HydrophobicContact CD1-CB 3.74Å; Y486-A494 HydrophobicContact CE1-CB 3.72Å; R487-A494 HydrophobicContact CG-CB 4.27Å; R487-A494 VanDerWaalsContact CZ-O 3.22Å; R487-A494 PolarHBondContact NE-O 3.15Å; R487-A494 PolarHBondContact NH2-O 3.2Å; I492-A494 HydrophobicContact CG2-CB 4.28Å; I492-A494 PolarHBondContact O-N 3.13Å
495K94.1Very high90Very high26 Ų2638.1 Ų38.111%0.11319%0.188CC..EExtended strand (participates in β ladder)trans-102.6152.6176.5-67.4174.1177.5-113.30110.7D462 V463 F464 G515 F533 D536D462-K495 PolarHBondContact O-N 3.47Å; V463-K495 WeakPolarHBondContact CA-O 3.46Å; F464-K495 PolarHBondContact N-O 3.34Å; K495-G515 CarbonylContact C-O 3.53Å; K495-G515 WeakPolarHBondContact CA-O 3.46Å; K495-F533 HydrophobicContact CB-CE1 3.79Å; K495-F533 HydrophobicContact CB-CZ 4.33Å; K495-F533 HydrophobicContact CD-CD1 4.26Å; K495-F533 HydrophobicContact CD-CE1 3.99Å; K495-F533 HydrophobicContact CD-CZ 4.29Å; K495-F533 WeakPolarHBondContact CE-O 3.43Å; K495-F533 HydrophobicContact CG-CE1 4.21Å; K495-F533 HydrophobicContact CG-CZ 4.4Å; K495-F533 PolarHBondContact NZ-O 3.41Å; K495-D536 VanDerWaalsContact CE-OD1 3.29Å; K495-D536 WeakPolarHBondContact CE-OD1 3.17Å; K495-D536 IonicContact NZ-OD1 3.79Å; K495-D536 PolarHBondContact NZ-OD1 3.15Å
496L94.2Very high89.6Confident0 Ų035.7 Ų35.70%018%0.177CC..EExtended strand (participates in β ladder)trans-119.3126.6173.7173.665.1000109.7M451 F464 V466 L483 V498 G515 M516 L517M451-L496 HydrophobicContact SD-CD1 4.44Å; F464-L496 HydrophobicContact CB-CD1 3.79Å; F464-L496 CarbonylContact O-C 3.59Å; F464-L496 WeakPolarHBondContact O-CA 3.49Å; V466-L496 HydrophobicContact CB-CD1 4.47Å; V466-L496 HydrophobicContact CG2-CD1 3.63Å; L483-L496 HydrophobicContact CD1-CB 4.34Å; L483-L496 HydrophobicContact CD2-CB 3.5Å; L483-L496 VanDerWaalsContact CD2-CB 3.5Å; L483-L496 HydrophobicContact CD2-CD2 4.35Å; L483-L496 HydrophobicContact CG-CB 4.5Å; L496-V498 HydrophobicContact CD2-CG2 4.16Å; L496-V498 HydrophobicContact CG-CG2 4.07Å; L496-G515 PolarHBondContact N-O 2.76Å; L496-M516 HydrophobicContact CB-CG 4.19Å; L496-M516 HydrophobicContact CD2-SD 4.12Å; L496-M516 CarbonylContact O-C 3.56Å; L496-M516 VanDerWaalsContact O-CA 3.26Å; L496-M516 WeakPolarHBondContact O-CA 3.26Å; L496-L517 PolarHBondContact O-N 3.34Å
497I92.8Very high89.1Confident0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-112.9116.3172.4-56.7178.8000107.4V463 F464 I465 V466 L517 M519 I530 F533V463-I497 HydrophobicContact CG1-CD1 3.72Å; V463-I497 HydrophobicContact CG1-CG1 4.03Å; F464-I497 PolarHBondContact O-N 3.43Å; I465-I497 CarbonylContact C-O 3.55Å; I465-I497 WeakPolarHBondContact CA-O 3.45Å; I465-I497 HydrophobicContact CD1-CD1 4.39Å; I465-I497 HydrophobicContact CG1-CB 4.21Å; I465-I497 HydrophobicContact CG1-CD1 4.31Å; I465-I497 HydrophobicContact CG2-CB 4.46Å; I465-I497 HydrophobicContact CG2-CG2 4.48Å; V466-I497 PolarHBondContact N-O 2.76Å; I497-L517 CarbonylContact C-O 3.56Å; I497-L517 WeakPolarHBondContact CA-O 3.39Å; I497-M519 HydrophobicContact CG2-CG 3.8Å; I497-M519 HydrophobicContact CG2-SD 3.41Å; I497-M519 WeakPolarHBondContact CG2-SD 3.14Å; I497-I530 HydrophobicContact CD1-CB 4.23Å; I497-I530 HydrophobicContact CD1-CG1 4.06Å; I497-I530 HydrophobicContact CD1-CG2 3.88Å; I497-I530 HydrophobicContact CG2-CG1 4.48Å; I497-F533 HydrophobicContact CD1-CD1 3.85Å; I497-F533 HydrophobicContact CD1-CE1 4.47Å; I497-F533 HydrophobicContact CG1-CD1 3.67Å; I497-F533 HydrophobicContact CG1-CE1 3.82Å
498V90.7Very high88.7Confident0 Ų033.6 Ų33.60%017%0.169CC..EExtended strand (participates in β ladder)trans-93.8111.5175.9-179.20000107.9N470 L496 G500 I508 A509 L517 M519N470-V498 WeakPolarHBondContact OD1-CG1 3.41Å; L496-V498 HydrophobicContact CD2-CG2 4.16Å; L496-V498 HydrophobicContact CG-CG2 4.07Å; V498-G500 PolarHBondContact O-N 2.9Å; V498-I508 HydrophobicContact CB-CG1 4.33Å; V498-I508 HydrophobicContact CG1-CD1 4.4Å; V498-I508 HydrophobicContact CG1-CG1 3.89Å; V498-I508 HydrophobicContact CG2-CD1 4.03Å; V498-I508 HydrophobicContact CG2-CG1 3.43Å; V498-I508 VanDerWaalsContact CG2-CG1 3.43Å; V498-A509 HydrophobicContact CG2-CB 3.86Å; V498-L517 PolarHBondContact N-O 3.37Å; V498-M519 PolarHBondContact O-N 3.29Å
499C89.3Confident88.4Confident0 Ų025.4 Ų25.40%014%0.135CC..EExtended strand (participates in β ladder)trans-97.589.5-178.8-155.80000108.8I465 V466 F467 T468 M501 G521I465-C499 HydrophobicContact CG2-CB 4.26Å; V466-C499 PolarHBondContact O-N 3.23Å; F467-C499 HydrophobicContact CD1-CB 3.51Å; F467-C499 VanDerWaalsContact CD1-SG 3.59Å; F467-C499 HydrophobicContact CE1-CB 3.86Å; F467-C499 VanDerWaalsContact CE1-SG 3.58Å; F467-C499 HydrophobicContact CG-CB 4.2Å; T468-C499 PolarHBondContact N-O 2.92Å; C499-M501 PolarHBondContact O-N 2.97Å; C499-G521 WeakPolarHBondContact SG-CA 3.42Å
500G84.6Confident88Confident0 Ų019.5 Ų19.50%011%0.11CC..EExtended strand (participates in β ladder)trans-64.4124.2-179.600000111F39 T468 V498 M519 G521F39-G500 WeakPolarHBondContact CE2-O 3.05Å; F39-G500 WeakPolarHBondContact CZ-O 3.3Å; T468-G500 WeakPolarHBondContact O-CA 3.07Å; V498-G500 PolarHBondContact O-N 2.9Å; G500-M519 PolarHBondContact N-O 3.03Å; G500-G521 PolarHBondContact O-N 3.31Å
501M85.3Confident87.6Confident2 Ų221.2 Ų21.21%0.0112%0.124CC..SBendtrans-95.43.3-177.9-59.9-57.1-68.800113.4F39 M381 A392 V395 A396 F467 T468 C499 F522F39-M501 WeakPolarHBondContact CE1-O 3.25Å; F39-M501 VanDerWaalsContact CZ-C 3.44Å; M381-M501 HydrophobicContact CE-CB 4.37Å; M381-M501 HydrophobicContact CE-CG 3.96Å; M381-M501 HydrophobicContact SD-CB 4.31Å; M381-M501 HydrophobicContact SD-CG 4.45Å; A392-M501 HydrophobicContact CB-CB 4.1Å; A392-M501 VanDerWaalsContact O-CE 3.3Å; A392-M501 WeakPolarHBondContact O-CE 3.42Å; V395-M501 HydrophobicContact CB-CE 4Å; V395-M501 HydrophobicContact CG1-CE 4.06Å; A396-M501 HydrophobicContact CB-CE 4.07Å; F467-M501 HydrophobicContact CD1-SD 4.29Å; T468-M501 PolarHBondContact O-N 3.32Å; C499-M501 PolarHBondContact O-N 2.97Å; M501-F522 HydrophobicContact CE-CD2 4.11Å; M501-F522 HydrophobicContact CE-CE2 3.65Å
502T82Confident87.2Confident7 Ų719 Ų194%0.04311%0.111CC..SBendtrans-142171176.672.70000111.4T45 D469 N504T45-T502 HydrophobicContact CG2-CG2 3.92Å; D469-T502 HydrophobicContact CB-CG2 3.89Å; T502-N504 VanDerWaalsContact C-N 3.34Å; T502-N504 PolarHBondContact OG1-N 3.02Å; T502-N504 PolarHBondContact OG1-ND2 2.98Å; T502-N504 PolarHBondContact OG1-OD1 3.39Å
503S79.6Confident86.8Confident2 Ų219.3 Ų19.31%0.01411%0.113CC..  trans-93.828.3173.9710000113.9G40 L53 N57G40-S503 WeakPolarHBondContact O-CB 3.49Å; G40-S503 PolarHBondContact O-OG 2.91Å; L53-S503 WeakPolarHBondContact CD1-O 3.47Å; L53-S503 WeakPolarHBondContact CD1-OG 3.46Å; L53-S503 WeakPolarHBondContact CD2-OG 3.46Å; L53-S503 WeakPolarHBondContact CG-OG 3.45Å; N57-S503 PolarHBondContact ND2-OG 3.43Å; N57-S503 PolarHBondContact OD1-O 2.79Å
504N80.3Confident86.4Confident1 Ų125.2 Ų25.21%0.00512%0.121CC..  trans-72.6166.7173.469.310.4000111.3R35 I48 D469 E471 T502 F506R35-N504 PolarHBondContact NH1-O 3.29Å; R35-N504 PolarHBondContact NH1-OD1 3.23Å; R35-N504 VanDerWaalsContact NH1-OD1 3.17Å; I48-N504 HydrophobicContact CD1-CB 3.98Å; D469-N504 PolarHBondContact O-ND2 3.38Å; E471-N504 PolarHBondContact OE1-ND2 3.24Å; T502-N504 VanDerWaalsContact C-N 3.34Å; T502-N504 PolarHBondContact OG1-N 3.02Å; T502-N504 PolarHBondContact OG1-ND2 2.98Å; T502-N504 PolarHBondContact OG1-OD1 3.39Å; N504-F506 VanDerWaalsContact C-N 3.31Å; N504-F506 HydrophobicContact CB-CD2 4.25Å; N504-F506 PolarHBondContact O-N 3.22Å
505G78.6Confident86.1Confident5 Ų525.9 Ų25.95%0.05213%0.128CC..SBendtrans-86.814-176.200000115.3Q26 V27Q26-G505 WeakPolarHBondContact CA-O 3.36Å; V27-G505 WeakPolarHBondContact CG1-O 3.31Å; V27-G505 PolarHBondContact N-O 3.11Å
506F84.4Confident85.9Confident28 Ų2825.4 Ų25.412%0.12313%0.126CC..EExtended strand (participates in β ladder)trans-107.9145.1-169.8-57.3-47.2000112.4I16 N18 V24 R35 N470 E471 N504I16-F506 HydrophobicContact CD1-CD1 4.02Å; I16-F506 HydrophobicContact CD1-CE1 3.83Å; I16-F506 HydrophobicContact CG1-CE1 4.5Å; N18-F506 HydrophobicContact CB-CD1 4.28Å; N18-F506 HydrophobicContact CB-CD2 4.03Å; N18-F506 HydrophobicContact CB-CE1 4.31Å; N18-F506 HydrophobicContact CB-CE2 4.07Å; N18-F506 HydrophobicContact CB-CG 4.16Å; N18-F506 HydrophobicContact CB-CZ 4.21Å; V24-F506 HydrophobicContact CG2-CB 3.93Å; V24-F506 HydrophobicContact CG2-CD1 3.76Å; V24-F506 HydrophobicContact CG2-CG 4.04Å; R35-F506 VanDerWaalsContact CZ-O 3.29Å; R35-F506 PolarHBondContact NH1-O 2.75Å; R35-F506 PolarHBondContact NH2-O 3.35Å; N470-F506 HydrophobicContact CB-CB 4.01Å; N470-F506 PolarHBondContact ND2-O 3.2Å; E471-F506 WeakPolarHBondContact OE1-CD2 3.48Å; E471-F506 WeakPolarHBondContact OE1-CE2 3.4Å; N504-F506 VanDerWaalsContact C-N 3.31Å; N504-F506 HydrophobicContact CB-CD2 4.25Å; N504-F506 PolarHBondContact O-N 3.22Å
507T84.8Confident85.6Confident5 Ų527 Ų273%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-145.5144.5170-173.60000111.3W25 V27 A509 D518W25-T507 HydrophobicContact CB-CG2 3.99Å; W25-T507 PolarHBondContact N-O 3.28Å; W25-T507 PolarHBondContact O-N 3.47Å; V27-T507 HydrophobicContact CB-CG2 4.13Å; V27-T507 HydrophobicContact CG2-CG2 4.45Å; T507-A509 WeakPolarHBondContact OG1-CB 3.23Å; T507-A509 PolarHBondContact OG1-N 2.95Å; T507-A509 VanDerWaalsContact OG1-N 3.15Å; T507-D518 VanDerWaalsContact CB-OD1 3.3Å; T507-D518 WeakPolarHBondContact CB-OD1 3.48Å; T507-D518 PolarHBondContact OG1-OD1 3.23Å
508I86.1Confident85.3Confident2 Ų227.5 Ų27.51%0.0114%0.137CC..SBendtrans-89.6-5.4171.765.5177.3000112.4V24 C447 V466 T468 N470 T472 P479 V498V24-I508 HydrophobicContact CG1-CG2 4.33Å; C447-I508 HydrophobicContact CB-CD1 3.5Å; C447-I508 HydrophobicContact CB-CG2 4.36Å; V466-I508 HydrophobicContact CG1-CD1 4.29Å; T468-I508 HydrophobicContact CG2-CD1 4.46Å; N470-I508 HydrophobicContact CB-CG2 4.45Å; T472-I508 HydrophobicContact CG2-CG2 3.8Å; P479-I508 HydrophobicContact CB-CB 4.19Å; P479-I508 HydrophobicContact CB-CD1 4.18Å; P479-I508 HydrophobicContact CG-CB 4.04Å; P479-I508 HydrophobicContact CG-CD1 4.29Å; P479-I508 HydrophobicContact CG-CG2 4.23Å; V498-I508 HydrophobicContact CB-CG1 4.33Å; V498-I508 HydrophobicContact CG1-CD1 4.4Å; V498-I508 HydrophobicContact CG1-CG1 3.89Å; V498-I508 HydrophobicContact CG2-CD1 4.03Å; V498-I508 HydrophobicContact CG2-CG1 3.43Å; V498-I508 VanDerWaalsContact CG2-CG1 3.43Å
509A86.9Confident84.9Confident6 Ų628.1 Ų28.15%0.0514%0.14CC..SBendtrans-76.9128.7175.200000109.9V498 T507 P511 M516V498-A509 HydrophobicContact CG2-CB 3.86Å; T507-A509 WeakPolarHBondContact OG1-CB 3.23Å; T507-A509 PolarHBondContact OG1-N 2.95Å; T507-A509 VanDerWaalsContact OG1-N 3.15Å; A509-P511 WeakPolarHBondContact O-CD 3.15Å; A509-M516 HydrophobicContact CB-CB 3.93Å
510D86.8Confident84.4Confident6 Ų628.3 Ų28.33%0.03214%0.142CC..  trans-73.1119.2174.9-170.3-30.6000109.7W25 A480 R484 D512 D513 M516W25-D510 HydrophobicContact CH2-CB 3.86Å; W25-D510 HydrophobicContact CZ2-CB 4.04Å; W25-D510 HydrophobicContact CZ3-CB 4.14Å; A480-D510 HydrophobicContact CB-CB 4.1Å; R484-D510 IonicContact CZ-OD2 3.66Å; R484-D510 IonicContact NH1-OD2 3.92Å; R484-D510 IonicContact NH2-OD2 3.87Å; R484-D510 PolarHBondContact NH2-OD2 3.27Å; D510-D512 PolarHBondContact O-N 3.44Å; D510-D512 PolarHBondContact OD1-N 2.95Å; D510-D513 HydrophobicContact CB-CB 4.05Å; D510-D513 PolarHBondContact O-N 2.74Å; D510-D513 VanDerWaalsContact O-N 3.09Å; D510-M516 HydrophobicContact CB-CE 4.23Å; D510-M516 HydrophobicContact CB-SD 3.9Å; D510-M516 PolarHBondContact N-SD 2.99Å; D510-M516 VanDerWaalsContact N-SD 3.39Å
511P83.4Confident83.8Confident75 Ų7528.3 Ų28.349%0.48714%0.142SC..THydrogen-bonded Turntrans-60.8-23.8-179.4-23.334.1000114.5W25 A509W25-P511 HydrophobicContact CB-CG 4.14Å; W25-P511 HydrophobicContact CG-CG 4.07Å; A509-P511 WeakPolarHBondContact O-CD 3.15Å
512D85.1Confident83.1Confident103 Ų10328.4 Ų28.455%0.55114%0.142SC*.THydrogen-bonded Turntrans-87.4-7.9-179.3-62.5-33.5000112.3K14 D510K14-D512 IonicContact NZ-OD1 3.52Å; K14-D512 PolarHBondContact NZ-OD1 3.46Å; K14-D512 IonicContact NZ-OD2 2.94Å; K14-D512 PolarHBondContact NZ-OD2 3.04Å; D510-D512 PolarHBondContact O-N 3.44Å; D510-D512 PolarHBondContact OD1-N 2.95Å
513D85.4Confident82.7Confident24 Ų2428.4 Ų28.413%0.12814%0.142CC..  trans-100.8106-179.4-166.8-43.6000111.4R484 R487 D510 G515 M516R484-D513 IonicContact NE-OD2 2.76Å; R487-D513 IonicContact CZ-OD1 3.95Å; R487-D513 IonicContact CZ-OD2 2.69Å; R487-D513 VanDerWaalsContact NH1-CG 3.32Å; R487-D513 IonicContact NH1-OD1 3.79Å; R487-D513 PolarHBondContact NH1-OD1 3.48Å; R487-D513 IonicContact NH1-OD2 2.64Å; R487-D513 PolarHBondContact NH1-OD2 3.39Å; R487-D513 IonicContact NH2-OD1 3.35Å; R487-D513 PolarHBondContact NH2-OD1 3.22Å; D510-D513 HydrophobicContact CB-CB 4.05Å; D510-D513 PolarHBondContact O-N 2.74Å; D510-D513 VanDerWaalsContact O-N 3.09Å; D513-G515 PolarHBondContact O-N 3.01Å; D513-G515 WeakPolarHBondContact OD1-CA 3.32Å; D513-G515 VanDerWaalsContact O-N 3.08Å; D513-G515 PolarHBondContact OD1-N 3.26Å; D513-M516 HydrophobicContact CB-CB 4.45Å; D513-M516 HydrophobicContact CB-CE 3.91Å; D513-M516 HydrophobicContact CB-CG 3.91Å; D513-M516 HydrophobicContact CB-SD 4.25Å; D513-M516 PolarHBondContact O-N 2.79Å; D513-M516 VanDerWaalsContact OD2-CE 3.22Å; D513-M516 WeakPolarHBondContact OD2-CE 3.48Å
514R85.7Confident82.2Confident238 Ų23829.8 Ų29.890%0.89815%0.15SC*.THydrogen-bonded Turntrans-62.3-16.2178.3-66.6-173.4178.4-173.5-1.2114.5M516 F533R514-M516 VanDerWaalsContact C-N 3.27Å; R514-F533 WeakPolarHBondContact O-CE2 3.41Å
515G87.6Confident81.6Confident13 Ų1330.2 Ų30.213%0.13416%0.155CC..THydrogen-bonded Turntrans-888.2173.800000113R487 K495 L496 D513R487-G515 PolarHBondContact NH2-O 3.43Å; K495-G515 CarbonylContact C-O 3.53Å; K495-G515 WeakPolarHBondContact CA-O 3.46Å; L496-G515 PolarHBondContact N-O 2.76Å; D513-G515 PolarHBondContact O-N 3.01Å; D513-G515 WeakPolarHBondContact OD1-CA 3.32Å; D513-G515 VanDerWaalsContact O-N 3.08Å; D513-G515 PolarHBondContact OD1-N 3.26Å
516M90.9Very high81.6Confident16 Ų1630 Ų308%0.07915%0.153CC..EExtended strand (participates in β ladder)trans-118.3134.2171.6-52-167.6-16000110.7A480 L483 L496 A509 D510 D513 R514A480-M516 HydrophobicContact CB-CE 3.7Å; A480-M516 HydrophobicContact CB-SD 4.06Å; L483-M516 HydrophobicContact CB-CE 4.28Å; L483-M516 HydrophobicContact CD2-CE 3.55Å; L483-M516 HydrophobicContact CD2-CG 3.79Å; L483-M516 HydrophobicContact CD2-SD 4.07Å; L483-M516 HydrophobicContact CG-CE 4.45Å; L496-M516 HydrophobicContact CB-CG 4.19Å; L496-M516 HydrophobicContact CD2-SD 4.12Å; L496-M516 CarbonylContact O-C 3.56Å; L496-M516 VanDerWaalsContact O-CA 3.26Å; L496-M516 WeakPolarHBondContact O-CA 3.26Å; A509-M516 HydrophobicContact CB-CB 3.93Å; D510-M516 HydrophobicContact CB-CE 4.23Å; D510-M516 HydrophobicContact CB-SD 3.9Å; D510-M516 PolarHBondContact N-SD 2.99Å; D510-M516 VanDerWaalsContact N-SD 3.39Å; D513-M516 HydrophobicContact CB-CB 4.45Å; D513-M516 HydrophobicContact CB-CE 3.91Å; D513-M516 HydrophobicContact CB-CG 3.91Å; D513-M516 HydrophobicContact CB-SD 4.25Å; D513-M516 PolarHBondContact O-N 2.79Å; D513-M516 VanDerWaalsContact OD2-CE 3.22Å; D513-M516 WeakPolarHBondContact OD2-CE 3.48Å; R514-M516 VanDerWaalsContact C-N 3.27Å
517L87.9Confident81.3Confident33 Ų3329.9 Ų29.917%0.17315%0.153CC..EExtended strand (participates in β ladder)trans-127.5134.3179.7178.264.7000110.1L496 I497 V498 V529 F533L496-L517 PolarHBondContact O-N 3.34Å; I497-L517 CarbonylContact C-O 3.56Å; I497-L517 WeakPolarHBondContact CA-O 3.39Å; V498-L517 PolarHBondContact N-O 3.37Å; L517-V529 HydrophobicContact CD2-CG1 3.88Å; L517-F533 HydrophobicContact CB-CD2 4.1Å; L517-F533 HydrophobicContact CG-CG 4.43Å; L517-F533 HydrophobicContact CD2-CG 3.63Å; L517-F533 HydrophobicContact CD2-CE1 4.47Å; L517-F533 HydrophobicContact CD2-CD2 4.06Å; L517-F533 HydrophobicContact CD2-CD1 3.88Å; L517-F533 HydrophobicContact CD2-CB 3.74Å; L517-F533 HydrophobicContact CB-CZ 3.6Å; L517-F533 HydrophobicContact CB-CG 4.1Å; L517-F533 HydrophobicContact CB-CE2 3.87Å; L517-F533 HydrophobicContact CB-CE1 3.6Å; L517-F533 HydrophobicContact CB-CD1 3.88Å
518D86.1Confident80.9Confident11 Ų1134 Ų346%0.05918%0.175CC..EExtended strand (participates in β ladder)trans-101.3131.4169.1-166.979.4000110.5V27 R35 T507V27-D518 WeakPolarHBondContact CG2-OD2 3.36Å; R35-D518 IonicContact CZ-OD1 3.7Å; R35-D518 IonicContact CZ-OD2 3.98Å; R35-D518 VanDerWaalsContact CZ-OD2 3.27Å; R35-D518 IonicContact NE-OD2 3.05Å; R35-D518 PolarHBondContact NE-OD2 2.61Å; R35-D518 IonicContact NH2-OD1 2.76Å; R35-D518 PolarHBondContact NH2-OD1 3.29Å; R35-D518 IonicContact NH2-OD2 2.64Å; R35-D518 PolarHBondContact NH2-OD2 2.82Å; T507-D518 VanDerWaalsContact CB-OD1 3.3Å; T507-D518 WeakPolarHBondContact CB-OD1 3.48Å; T507-D518 PolarHBondContact OG1-OD1 3.23Å
519M82.5Confident80.6Confident14 Ų1435.4 Ų35.47%0.06918%0.184CC..EExtended strand (participates in β ladder)trans-147167178.571.9176.4-52.900112.9I497 V498 G500 A526 V529 I530I497-M519 HydrophobicContact CG2-CG 3.8Å; I497-M519 HydrophobicContact CG2-SD 3.41Å; I497-M519 WeakPolarHBondContact CG2-SD 3.14Å; V498-M519 PolarHBondContact O-N 3.29Å; G500-M519 PolarHBondContact N-O 3.03Å; M519-A526 VanDerWaalsContact CE-CA 3.46Å; M519-A526 WeakPolarHBondContact CE-O 3.42Å; M519-A526 HydrophobicContact CE-CB 3.43Å; M519-A526 VanDerWaalsContact CE-CB 3.43Å; M519-V529 HydrophobicContact CE-CB 4.14Å; M519-V529 HydrophobicContact CE-CG1 4.3Å; M519-I530 HydrophobicContact CE-CD1 4.31Å; M519-I530 HydrophobicContact CE-CG1 4.03Å; M519-I530 HydrophobicContact SD-CD1 3.99Å; M519-I530 HydrophobicContact SD-CG1 3.53Å; M519-I530 VanDerWaalsContact SD-CG1 3.53Å
520C78.5Confident80.5Confident4 Ų435.5 Ų35.53%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-90.4131177.9172.60000111.7R35 C38 F39 F522 D523R35-C520 HydrophobicContact CG-CB 4.35Å; C38-C520 HydrophobicContact CB-CB 4.33Å; C38-C520 WeakPolarHBondContact CB-SG 3.5Å; C38-C520 VanDerWaalsContact SG-SG 3.62Å; F39-C520 VanDerWaalsContact CD2-SG 3.55Å; F39-C520 HydrophobicContact CE2-CB 4.21Å; F39-C520 WeakPolarHBondContact CE2-SG 3.32Å; C520-F522 PolarHBondContact SG-N 2.85Å; C520-F522 VanDerWaalsContact SG-N 3.44Å; C520-F522 PolarHBondContact O-N 3.12Å; C520-F522 VanDerWaalsContact C-N 3.32Å; C520-D523 HydrophobicContact CB-CB 4.35Å
521G71.1Confident80.4Confident0 Ų038.5 Ų38.50%019%0.194CC..THydrogen-bonded Turntrans-75.1-11.7-18000000116.9C499 G500C499-G521 WeakPolarHBondContact SG-CA 3.42Å; G500-G521 PolarHBondContact O-N 3.31Å
522F72.3Confident80.4Confident3 Ų337.1 Ų37.11%0.01318%0.183CC..THydrogen-bonded Turntrans-110.218.4179.7-87.1-110.5000113.9F39 F322 V385 L386 V395 M501 C520F39-F522 HydrophobicContact CD1-CB 4.11Å; F39-F522 HydrophobicContact CD1-CD2 4.1Å; F39-F522 HydrophobicContact CD1-CG 4.2Å; F39-F522 HydrophobicContact CE1-CB 3.61Å; F39-F522 AromaticContact CE1-CD2 3.08Å; F39-F522 HydrophobicContact CE1-CD2 3.08Å; F39-F522 AromaticContact CE1-CE2 3.64Å; F39-F522 HydrophobicContact CE1-CE2 3.64Å; F39-F522 AromaticContact CE1-CG 3.54Å; F39-F522 HydrophobicContact CE1-CG 3.54Å; F39-F522 HydrophobicContact CZ-CB 3.88Å; F39-F522 AromaticContact CZ-CD2 3.57Å; F39-F522 HydrophobicContact CZ-CD2 3.57Å; F39-F522 HydrophobicContact CZ-CE2 4.37Å; F39-F522 HydrophobicContact CZ-CG 4.12Å; F322-F522 HydrophobicContact CD2-CD1 4.37Å; F322-F522 HydrophobicContact CE2-CD1 4.36Å; F322-F522 HydrophobicContact CE2-CG 4.49Å; V385-F522 HydrophobicContact CB-CE1 4.12Å; V385-F522 HydrophobicContact CB-CE2 4.02Å; V385-F522 HydrophobicContact CB-CZ 3.44Å; V385-F522 VanDerWaalsContact CB-CZ 3.44Å; V385-F522 HydrophobicContact CG1-CD1 4.13Å; V385-F522 HydrophobicContact CG1-CD2 4.13Å; V385-F522 HydrophobicContact CG1-CE1 3.59Å; V385-F522 HydrophobicContact CG1-CE2 3.53Å; V385-F522 HydrophobicContact CG1-CG 4.3Å; V385-F522 HydrophobicContact CG1-CZ 3.18Å; V385-F522 HydrophobicContact CG2-CE2 3.88Å; V385-F522 HydrophobicContact CG2-CZ 3.71Å; L386-F522 HydrophobicContact CD1-CD1 3.76Å; L386-F522 HydrophobicContact CD1-CE1 4.06Å; V395-F522 HydrophobicContact CB-CD2 4.35Å; V395-F522 HydrophobicContact CB-CE1 4.05Å; V395-F522 HydrophobicContact CB-CE2 3.35Å; V395-F522 HydrophobicContact CB-CZ 3.2Å; V395-F522 HydrophobicContact CG1-CD1 4.17Å; V395-F522 HydrophobicContact CG1-CD2 3.61Å; V395-F522 HydrophobicContact CG1-CE1 3.68Å; V395-F522 HydrophobicContact CG1-CE2 3.08Å; V395-F522 HydrophobicContact CG1-CG 4.2Å; V395-F522 HydrophobicContact CG1-CZ 3.16Å; V395-F522 HydrophobicContact CG2-CE1 3.7Å; V395-F522 HydrophobicContact CG2-CE2 3.86Å; V395-F522 HydrophobicContact CG2-CZ 3.11Å; M501-F522 HydrophobicContact CE-CD2 4.11Å; M501-F522 HydrophobicContact CE-CE2 3.65Å; C520-F522 PolarHBondContact SG-N 2.85Å; C520-F522 VanDerWaalsContact SG-N 3.44Å; C520-F522 PolarHBondContact O-N 3.12Å; C520-F522 VanDerWaalsContact C-N 3.32Å
523D72.4Confident80.4Confident7 Ų732.7 Ų32.74%0.03716%0.159CC..  trans-81.5123.9173.9-175.1-10.6000110.5R85 C520 G525 A526R85-D523 VanDerWaalsContact CB-OD1 3.32Å; R85-D523 WeakPolarHBondContact CB-OD1 3.46Å; R85-D523 WeakPolarHBondContact CG-OD1 3.36Å; R85-D523 IonicContact CZ-OD1 3.79Å; R85-D523 IonicContact CZ-OD2 2.74Å; R85-D523 IonicContact NE-OD1 2.59Å; R85-D523 PolarHBondContact NE-OD1 3.34Å; R85-D523 IonicContact NE-OD2 3.65Å; R85-D523 PolarHBondContact NE-OD2 2.71Å; R85-D523 VanDerWaalsContact NE-OD2 3.07Å; R85-D523 IonicContact NH2-OD1 2.97Å; R85-D523 IonicContact NH2-OD2 3.8Å; R85-D523 PolarHBondContact NH2-OD2 3.46Å; C520-D523 HydrophobicContact CB-CB 4.35Å; D523-G525 PolarHBondContact O-N 2.85Å; D523-G525 PolarHBondContact OD1-N 2.99Å; D523-A526 HydrophobicContact CB-CB 4.12Å; D523-A526 WeakPolarHBondContact O-CB 3.47Å; D523-A526 PolarHBondContact O-N 3.27Å
524T69.3Low80.5Confident32 Ų3231.9 Ų31.920%0.19615%0.154CC..THydrogen-bonded Turntrans-68-17.3178.772.70000113.2G84 R85 H320G84-T524 PolarHBondContact O-OG1 3.38Å; R85-T524 WeakPolarHBondContact CA-OG1 3.48Å; R85-T524 PolarHBondContact O-N 2.78Å; H320-T524 HydrophobicContact CB-CG2 3.77Å; H320-T524 WeakPolarHBondContact CD2-CB 3.22Å; H320-T524 VanDerWaalsContact CD2-CG2 3.41Å; H320-T524 WeakPolarHBondContact CD2-CG2 3.32Å; H320-T524 WeakPolarHBondContact NE2-CA 3.13Å
525G68.7Low80.5Confident10 Ų1023.5 Ų23.510%0.10313%0.127CC..THydrogen-bonded Turntrans-94.77.4170.500000114.2D523 L527 D528 V529D523-G525 PolarHBondContact O-N 2.85Å; D523-G525 PolarHBondContact OD1-N 2.99Å; G525-L527 PolarHBondContact O-N 3.19Å; G525-D528 PolarHBondContact O-N 2.89Å; G525-V529 PolarHBondContact O-N 3.49Å
526A77.6Confident80.3Confident1 Ų128.8 Ų28.81%0.00815%0.152CC..Hα-helixtrans-54.2-41-176.900000113M399 M519 D523 D528 V529 I530M399-A526 HydrophobicContact CE-CB 4.02Å; M519-A526 VanDerWaalsContact CE-CA 3.46Å; M519-A526 WeakPolarHBondContact CE-O 3.42Å; M519-A526 HydrophobicContact CE-CB 3.43Å; M519-A526 VanDerWaalsContact CE-CB 3.43Å; D523-A526 HydrophobicContact CB-CB 4.12Å; D523-A526 WeakPolarHBondContact O-CB 3.47Å; D523-A526 PolarHBondContact O-N 3.27Å; A526-D528 PolarHBondContact O-N 2.77Å; A526-D528 VanDerWaalsContact C-N 3.33Å; A526-V529 PolarHBondContact O-N 2.8Å; A526-V529 WeakPolarHBondContact O-CB 3.48Å; A526-I530 WeakPolarHBondContact O-CG1 3.42Å; A526-I530 PolarHBondContact O-N 2.93Å
527L77.7Confident79.4Confident24 Ų2434 Ų3413%0.12618%0.178CC..Hα-helixtrans-67.5-34.8-174.1-60.4168.6000112.3V364 M399 V402 V403 G525 I530 R531V364-L527 HydrophobicContact CB-CD1 4.39Å; V364-L527 HydrophobicContact CG1-CB 3.83Å; V364-L527 HydrophobicContact CG1-CD1 4.1Å; V364-L527 HydrophobicContact CG1-CG 4.47Å; V364-L527 HydrophobicContact CG2-CB 4.46Å; V364-L527 HydrophobicContact CG2-CD1 3.43Å; V364-L527 VanDerWaalsContact CG2-CD1 3.43Å; M399-L527 HydrophobicContact CE-CD2 4.24Å; V402-L527 HydrophobicContact CG1-CD1 3.46Å; V402-L527 VanDerWaalsContact CG1-CD1 3.46Å; V402-L527 HydrophobicContact CG1-CD2 3.92Å; V402-L527 HydrophobicContact CG1-CG 4.36Å; V403-L527 HydrophobicContact CG2-CD2 4.1Å; G525-L527 PolarHBondContact O-N 3.19Å; L527-I530 HydrophobicContact CD2-CD1 4.28Å; L527-I530 PolarHBondContact O-N 3.49Å; L527-R531 WeakPolarHBondContact O-CB 3.45Å; L527-R531 PolarHBondContact O-N 3.44Å
528D76.4Confident78Confident92 Ų9239.1 Ų39.149%0.49220%0.204SC..Hα-helixtrans-67.9-38175.1-66.6-35.1000111.1G525 A526 R531 N532G525-D528 PolarHBondContact O-N 2.89Å; A526-D528 PolarHBondContact O-N 2.77Å; A526-D528 VanDerWaalsContact C-N 3.33Å; D528-R531 PolarHBondContact O-N 3.18Å; D528-N532 PolarHBondContact O-ND2 3.25Å; D528-N532 PolarHBondContact O-N 2.93Å; D528-N532 WeakPolarHBondContact O-CB 3.18Å
529V80.6Confident77.6Confident32 Ų3240.6 Ų40.619%0.19421%0.211CC..Hα-helixtrans-65-46.3174.3178.30000111L517 M519 G525 A526 R531 N532 F533 I538L517-V529 HydrophobicContact CD2-CG1 3.88Å; M519-V529 HydrophobicContact CE-CB 4.14Å; M519-V529 HydrophobicContact CE-CG1 4.3Å; G525-V529 PolarHBondContact O-N 3.49Å; A526-V529 PolarHBondContact O-N 2.8Å; A526-V529 WeakPolarHBondContact O-CB 3.48Å; V529-R531 VanDerWaalsContact C-N 3.29Å; V529-R531 PolarHBondContact O-N 2.9Å; V529-N532 PolarHBondContact O-N 3.14Å; V529-F533 WeakPolarHBondContact O-CB 3.48Å; V529-F533 PolarHBondContact O-N 3.16Å; V529-I538 HydrophobicContact CG1-CD1 4.17Å
530I85.2Confident77.3Confident8 Ų841.9 Ų41.94%0.04122%0.219CC..Hα-helixtrans-56.2-47.8175.9-70.9163.9000109.8F371 I465 I497 M519 A526 L527 T534F371-I530 HydrophobicContact CE1-CG2 4.04Å; I465-I530 HydrophobicContact CD1-CD1 4.2Å; I465-I530 HydrophobicContact CD1-CG2 3.99Å; I497-I530 HydrophobicContact CD1-CB 4.23Å; I497-I530 HydrophobicContact CD1-CG1 4.06Å; I497-I530 HydrophobicContact CD1-CG2 3.88Å; I497-I530 HydrophobicContact CG2-CG1 4.48Å; M519-I530 HydrophobicContact CE-CD1 4.31Å; M519-I530 HydrophobicContact CE-CG1 4.03Å; M519-I530 HydrophobicContact SD-CD1 3.99Å; M519-I530 HydrophobicContact SD-CG1 3.53Å; M519-I530 VanDerWaalsContact SD-CG1 3.53Å; A526-I530 WeakPolarHBondContact O-CG1 3.42Å; A526-I530 PolarHBondContact O-N 2.93Å; L527-I530 HydrophobicContact CD2-CD1 4.28Å; L527-I530 PolarHBondContact O-N 3.49Å; I530-T534 WeakPolarHBondContact O-CB 3.39Å; I530-T534 PolarHBondContact O-N 3Å; I530-T534 PolarHBondContact O-OG1 3.19Å
531R83.9Confident77.2Confident68 Ų6844.1 Ų44.126%0.25723%0.23SC..Hα-helixtrans-59.4-53.7178172.8-179.6178.3-163.110.6111.8E365 T367 L527 D528 V529 F533 T534 L535E365-R531 IonicContact OE2-CZ 3.27Å; E365-R531 IonicContact OE2-NH1 2.92Å; E365-R531 PolarHBondContact OE2-NH1 3.32Å; E365-R531 IonicContact OE2-NH2 2.7Å; E365-R531 PolarHBondContact OE2-NH2 3.27Å; T367-R531 HydrophobicContact CG2-CB 4.04Å; T367-R531 HydrophobicContact CG2-CG 3.79Å; L527-R531 WeakPolarHBondContact O-CB 3.45Å; L527-R531 PolarHBondContact O-N 3.44Å; D528-R531 PolarHBondContact O-N 3.18Å; V529-R531 VanDerWaalsContact C-N 3.29Å; V529-R531 PolarHBondContact O-N 2.9Å; R531-F533 PolarHBondContact O-N 3.1Å; R531-F533 VanDerWaalsContact C-N 3.32Å; R531-T534 WeakPolarHBondContact O-CB 3.42Å; R531-T534 PolarHBondContact O-N 3.08Å; R531-L535 HydrophobicContact CG-CD1 3.86Å; R531-L535 WeakPolarHBondContact O-CG 3.43Å; R531-L535 PolarHBondContact O-N 3.12Å
532N82.4Confident77.6Confident47 Ų4746.6 Ų46.625%0.25124%0.243SC..Hα-helixtrans-61.5-42.3-175.8-70.9-15.8000111.4D528 V529 T534 L535 D536 M537 I538D528-N532 PolarHBondContact O-ND2 3.25Å; D528-N532 PolarHBondContact O-N 2.93Å; D528-N532 WeakPolarHBondContact O-CB 3.18Å; V529-N532 PolarHBondContact O-N 3.14Å; N532-T534 VanDerWaalsContact C-N 3.35Å; N532-L535 CarbonylContact O-C 3.48Å; N532-L535 PolarHBondContact O-N 3.27Å; N532-D536 PolarHBondContact O-N 3.45Å; N532-M537 HydrophobicContact CB-CB 4.05Å; N532-M537 PolarHBondContact O-N 3.3Å; N532-I538 HydrophobicContact CB-CD1 4Å; N532-I538 HydrophobicContact CB-CG2 4.19Å; N532-I538 HydrophobicContact CB-CG1 3.98Å
533F85.5Confident77.9Confident10 Ų1049.4 Ų49.44%0.04426%0.257CS..Hα-helixtrans-65.9-38.4176.6-178.3-114.2000112.6K495 I497 R514 L517 V529 R531 L535 D536 I538K495-F533 HydrophobicContact CB-CE1 3.79Å; K495-F533 HydrophobicContact CB-CZ 4.33Å; K495-F533 HydrophobicContact CD-CD1 4.26Å; K495-F533 HydrophobicContact CD-CE1 3.99Å; K495-F533 HydrophobicContact CD-CZ 4.29Å; K495-F533 WeakPolarHBondContact CE-O 3.43Å; K495-F533 HydrophobicContact CG-CE1 4.21Å; K495-F533 HydrophobicContact CG-CZ 4.4Å; K495-F533 PolarHBondContact NZ-O 3.41Å; I497-F533 HydrophobicContact CD1-CD1 3.85Å; I497-F533 HydrophobicContact CD1-CE1 4.47Å; I497-F533 HydrophobicContact CG1-CD1 3.67Å; I497-F533 HydrophobicContact CG1-CE1 3.82Å; R514-F533 WeakPolarHBondContact O-CE2 3.41Å; L517-F533 HydrophobicContact CB-CD2 4.1Å; L517-F533 HydrophobicContact CG-CG 4.43Å; L517-F533 HydrophobicContact CD2-CG 3.63Å; L517-F533 HydrophobicContact CD2-CE1 4.47Å; L517-F533 HydrophobicContact CD2-CD2 4.06Å; L517-F533 HydrophobicContact CD2-CD1 3.88Å; L517-F533 HydrophobicContact CD2-CB 3.74Å; L517-F533 HydrophobicContact CB-CZ 3.6Å; L517-F533 HydrophobicContact CB-CG 4.1Å; L517-F533 HydrophobicContact CB-CE2 3.87Å; L517-F533 HydrophobicContact CB-CE1 3.6Å; L517-F533 HydrophobicContact CB-CD1 3.88Å; V529-F533 WeakPolarHBondContact O-CB 3.48Å; V529-F533 PolarHBondContact O-N 3.16Å; R531-F533 PolarHBondContact O-N 3.1Å; R531-F533 VanDerWaalsContact C-N 3.32Å; F533-L535 VanDerWaalsContact C-N 3.28Å; F533-L535 PolarHBondContact O-N 2.99Å; F533-D536 PolarHBondContact O-N 3.15Å; F533-I538 HydrophobicContact CB-CD1 4.16Å; F533-I538 HydrophobicContact CB-CG1 4.16Å
534T87.3Confident78.3Confident6 Ų652.2 Ų52.24%0.03727%0.272CS..Hα-helixtrans-65.8-31.7176.9-61.70000112.3T367 K369 F371 V463 I530 R531 N532T367-T534 HydrophobicContact CG2-CG2 3.97Å; K369-T534 HydrophobicContact CB-CG2 3.89Å; K369-T534 HydrophobicContact CG-CG2 3.49Å; K369-T534 VanDerWaalsContact CG-CG2 3.49Å; F371-T534 HydrophobicContact CZ-CG2 3.97Å; V463-T534 HydrophobicContact CG2-CG2 3.68Å; I530-T534 WeakPolarHBondContact O-CB 3.39Å; I530-T534 PolarHBondContact O-N 3Å; I530-T534 PolarHBondContact O-OG1 3.19Å; R531-T534 WeakPolarHBondContact O-CB 3.42Å; R531-T534 PolarHBondContact O-N 3.08Å; N532-T534 VanDerWaalsContact C-N 3.35Å
535L86.5Confident78.9Confident63 Ų6353.6 Ų53.633%0.3328%0.277SS..THydrogen-bonded Turntrans-97.511-179.1-62.8177.9000113.9T367 R531 N532 F533 M537T367-L535 HydrophobicContact CG2-CD1 4.34Å; T367-L535 HydrophobicContact CG2-CD2 4.42Å; T367-L535 HydrophobicContact CG2-CG 4.14Å; R531-L535 HydrophobicContact CG-CD1 3.86Å; R531-L535 WeakPolarHBondContact O-CG 3.43Å; R531-L535 PolarHBondContact O-N 3.12Å; N532-L535 CarbonylContact O-C 3.48Å; N532-L535 PolarHBondContact O-N 3.27Å; F533-L535 VanDerWaalsContact C-N 3.28Å; F533-L535 PolarHBondContact O-N 2.99Å; L535-M537 HydrophobicContact CB-CG 4.05Å; L535-M537 HydrophobicContact CB-SD 4.32Å; L535-M537 HydrophobicContact CD1-SD 4.46Å; L535-M537 PolarHBondContact O-N 3.07Å
536D83Confident79.7Confident123 Ų12357 Ų5766%0.65829%0.291SS*.THydrogen-bonded Turntrans57.831.9-179-60.7-65.5000113.8K495 N532 F533K495-D536 VanDerWaalsContact CE-OD1 3.29Å; K495-D536 WeakPolarHBondContact CE-OD1 3.17Å; K495-D536 IonicContact NZ-OD1 3.79Å; K495-D536 PolarHBondContact NZ-OD1 3.15Å; N532-D536 PolarHBondContact O-N 3.45Å; F533-D536 PolarHBondContact O-N 3.15Å
537M71.4Confident79.9Confident125 Ų12561.7 Ų61.762%0.61631%0.314SS*.  trans-88.2-13.4177.8-64-176.763.100113.6N532 L535N532-M537 HydrophobicContact CB-CB 4.05Å; N532-M537 PolarHBondContact O-N 3.3Å; L535-M537 HydrophobicContact CB-CG 4.05Å; L535-M537 HydrophobicContact CB-SD 4.32Å; L535-M537 HydrophobicContact CD1-SD 4.46Å; L535-M537 PolarHBondContact O-N 3.07Å
538I58.8Low80.1Confident142 Ų14265.1 Ų65.173%0.72833%0.332SS*.  trans-137.50177.757.9174.6000111.7V529 N532 F533V529-I538 HydrophobicContact CG1-CD1 4.17Å; N532-I538 HydrophobicContact CB-CD1 4Å; N532-I538 HydrophobicContact CB-CG2 4.19Å; N532-I538 HydrophobicContact CB-CG1 3.98Å; F533-I538 HydrophobicContact CB-CD1 4.16Å; F533-I538 HydrophobicContact CB-CG1 4.16Å

Retrieved 538 of 538 residues in 285.3 ms (Link to these results)

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