A0A077YZT0_TRITR Loading...

Carbonic anhydrase

Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A077YZT0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 255 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
1M88.9Confident88.8Confident158 Ų158121 Ų12178%0.77859%0.59SS**  0-54.60-166.849.575.400113.3R3 I4 L5M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.25Å; M1-I4 WeakPolarHBondContact O-CB 2.84Å; M1-I4 PolarHBondContact O-N 2.76Å; M1-L5 HydrophobicContact CG-CD1 3.76Å; M1-L5 HydrophobicContact CG-CG 3.97Å; M1-L5 PolarHBondContact O-N 3.23Å; M1-L5 HydrophobicContact SD-CD1 4.28Å; M1-L5 HydrophobicContact SD-CD2 4.12Å; M1-L5 HydrophobicContact SD-CG 3.9Å
2Q92.3Very high88.5Confident138 Ų138115.3 Ų115.365%0.64557%0.571SS**Hα-helixtrans-50.1-45.7-177.2-66.4179.5-1.500114.9I4 L5 R6Q2-I4 VanDerWaalsContact C-N 3.34Å; Q2-I4 PolarHBondContact O-N 2.95Å; Q2-L5 PolarHBondContact O-N 3.47Å; Q2-R6 WeakPolarHBondContact O-CB 3.32Å; Q2-R6 WeakPolarHBondContact O-CG 3.32Å; Q2-R6 PolarHBondContact O-N 3.47Å
3R91.2Very high88.5Confident213 Ų213121.3 Ų121.380%0.80458%0.584SS**Hα-helixtrans-58.4-43.5176.5-173.7178.773.2-1752.1112.8M1 S7M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.25Å; R3-S7 WeakPolarHBondContact O-CB 3.31Å; R3-S7 PolarHBondContact O-N 3.18Å
4I88.5Confident88.3Confident94 Ų94122.8 Ų122.848%0.48259%0.586SS.*Hα-helixtrans-65.6-49.2179.5-62.2171.9000109.4M1 Q2 R6 S7 I8M1-I4 WeakPolarHBondContact O-CB 2.84Å; M1-I4 PolarHBondContact O-N 2.76Å; Q2-I4 VanDerWaalsContact C-N 3.34Å; Q2-I4 PolarHBondContact O-N 2.95Å; I4-R6 PolarHBondContact O-N 3.23Å; I4-S7 PolarHBondContact O-N 3.28Å; I4-I8 HydrophobicContact CG2-CD1 3.8Å; I4-I8 HydrophobicContact CG2-CG1 4.49Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.34Å; I4-I8 PolarHBondContact O-N 2.83Å
5L90.5Very high88.1Confident101 Ų101119.1 Ų119.153%0.52958%0.575SS.*Hα-helixtrans-60.7-43.3178.4-64.5179.2000112.3M1 Q2 I8 A9M1-L5 HydrophobicContact CG-CD1 3.76Å; M1-L5 HydrophobicContact CG-CG 3.97Å; M1-L5 PolarHBondContact O-N 3.23Å; M1-L5 HydrophobicContact SD-CD1 4.28Å; M1-L5 HydrophobicContact SD-CD2 4.12Å; M1-L5 HydrophobicContact SD-CG 3.9Å; Q2-L5 PolarHBondContact O-N 3.47Å; L5-I8 PolarHBondContact O-N 2.87Å; L5-A9 WeakPolarHBondContact O-CB 3.29Å; L5-A9 PolarHBondContact O-N 2.83Å
6R90.4Very high88Confident159 Ų159118 Ų11860%0.656%0.563SS**Hα-helixtrans-62.6-45.1175.5-73.6-179.6-167.5167.85.2111.6Q2 I4 I8 A9 Q10Q2-R6 WeakPolarHBondContact O-CB 3.32Å; Q2-R6 WeakPolarHBondContact O-CG 3.32Å; Q2-R6 PolarHBondContact O-N 3.47Å; I4-R6 PolarHBondContact O-N 3.23Å; R6-I8 VanDerWaalsContact C-N 3.31Å; R6-I8 PolarHBondContact O-N 3.22Å; R6-A9 PolarHBondContact O-N 3.39Å; R6-Q10 WeakPolarHBondContact O-CB 3.47Å; R6-Q10 VanDerWaalsContact O-CG 3.22Å; R6-Q10 WeakPolarHBondContact O-CG 3.21Å; R6-Q10 PolarHBondContact O-N 3.2Å
7S86.2Confident88Confident56 Ų56115.5 Ų115.539%0.39255%0.553SS.*Hα-helixtrans-59.3-42.9176.4-172.10000111.6R3 I4 Q10 Q11R3-S7 WeakPolarHBondContact O-CB 3.31Å; R3-S7 PolarHBondContact O-N 3.18Å; I4-S7 PolarHBondContact O-N 3.28Å; S7-Q10 PolarHBondContact O-N 2.92Å; S7-Q11 WeakPolarHBondContact O-CB 3.45Å; S7-Q11 WeakPolarHBondContact O-CG 3.21Å; S7-Q11 PolarHBondContact O-N 3.36Å
8I87.8Confident87.9Confident75 Ų75112.7 Ų112.739%0.38554%0.539SS..Hα-helixtrans-66.9-39.5177.4-68.2169.8000111.4I4 L5 R6 Q11 R16I4-I8 HydrophobicContact CG2-CD1 3.8Å; I4-I8 HydrophobicContact CG2-CG1 4.49Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.34Å; I4-I8 PolarHBondContact O-N 2.83Å; L5-I8 PolarHBondContact O-N 2.87Å; R6-I8 VanDerWaalsContact C-N 3.31Å; R6-I8 PolarHBondContact O-N 3.22Å; I8-Q11 VanDerWaalsContact O-O 3.11Å; I8-R16 PolarHBondContact O-NH2 2.94Å
9A88.5Confident87.7Confident85 Ų85110.1 Ų110.170%0.70253%0.534SS*.Hα-helixtrans-69.2-36177.900000112.3L5 R6L5-A9 WeakPolarHBondContact O-CB 3.29Å; L5-A9 PolarHBondContact O-N 2.83Å; R6-A9 PolarHBondContact O-N 3.39Å
10Q89.1Confident87.6Confident158 Ų158109.1 Ų109.174%0.73853%0.53SS*.Hα-helixtrans-74-32.1176.6-73.5171.8-20.900112.3R6 S7 S12R6-Q10 WeakPolarHBondContact O-CB 3.47Å; R6-Q10 VanDerWaalsContact O-CG 3.22Å; R6-Q10 WeakPolarHBondContact O-CG 3.21Å; R6-Q10 PolarHBondContact O-N 3.2Å; S7-Q10 PolarHBondContact O-N 2.92Å; Q10-S12 PolarHBondContact O-N 3.37Å
11Q83.5Confident87.5Confident94 Ų94109 Ų10944%0.43953%0.529SS..SBendtrans-74.4110.4173-77.5-176.2-15.100111S7 I8 R16S7-Q11 WeakPolarHBondContact O-CB 3.45Å; S7-Q11 WeakPolarHBondContact O-CG 3.21Å; S7-Q11 PolarHBondContact O-N 3.36Å; I8-Q11 VanDerWaalsContact O-O 3.11Å; Q11-R16 PolarHBondContact O-NH2 2.78Å
12S85.4Confident87.2Confident52 Ų52108.9 Ų108.936%0.36452%0.52SS..  trans-57.6145.9176.686.40000111.1Q10 K14 T15 R16Q10-S12 PolarHBondContact O-N 3.37Å; S12-K14 PolarHBondContact O-N 3.28Å; S12-K14 PolarHBondContact OG-N 3.24Å; S12-T15 PolarHBondContact O-N 3.46Å; S12-T15 PolarHBondContact OG-N 3.42Å; S12-T15 PolarHBondContact OG-OG1 2.98Å; S12-R16 PolarHBondContact O-N 2.95Å
13R88.6Confident86.8Confident194 Ų194104.5 Ų104.573%0.73250%0.5SS*.Hα-helixtrans-55.6-37.4172.1-177.8-178.5176.5-167.8-0.7110.7R16 L17R13-R16 PolarHBondContact O-N 3.11Å; R13-L17 HydrophobicContact CG-CD1 3.96Å; R13-L17 HydrophobicContact CG-CG 4.31Å; R13-L17 WeakPolarHBondContact O-CB 3.33Å; R13-L17 VanDerWaalsContact O-CG 3.31Å; R13-L17 WeakPolarHBondContact O-CG 3.42Å; R13-L17 PolarHBondContact O-N 3.04Å
14K84.7Confident86.4Confident142 Ų142100.4 Ų100.462%0.61749%0.494SS*.Hα-helixtrans-57.9-50.1176.2178.4175.3173.51780111.4S12 R16 L17 E18S12-K14 PolarHBondContact O-N 3.28Å; S12-K14 PolarHBondContact OG-N 3.24Å; K14-R16 VanDerWaalsContact C-N 3.34Å; K14-R16 PolarHBondContact O-N 3.35Å; K14-L17 PolarHBondContact O-N 3.05Å; K14-E18 WeakPolarHBondContact CE-OE1 3.32Å; K14-E18 HydrophobicContact CG-CG 4.4Å; K14-E18 WeakPolarHBondContact CG-OE1 3.37Å; K14-E18 IonicContact NZ-OE1 3.98Å; K14-E18 WeakPolarHBondContact O-CB 3.42Å; K14-E18 VanDerWaalsContact O-CG 3.32Å; K14-E18 WeakPolarHBondContact O-CG 3.48Å; K14-E18 PolarHBondContact O-N 2.92Å
15T86.4Confident86Confident67 Ų67103.4 Ų103.441%0.41151%0.506SS..Hα-helixtrans-58.7-44.2178.6-51.90000111.8S12 E18 S19S12-T15 PolarHBondContact O-N 3.46Å; S12-T15 PolarHBondContact OG-N 3.42Å; S12-T15 PolarHBondContact OG-OG1 2.98Å; T15-E18 PolarHBondContact O-N 3.45Å; T15-S19 PolarHBondContact O-N 2.92Å; T15-S19 PolarHBondContact O-OG 3.3Å; T15-S19 VanDerWaalsContact O-OG 3.11Å
16R86.8Confident85.4Confident102 Ų102104 Ų10439%0.38551%0.507SS..Hα-helixtrans-65.8-41.2177.3-76.3178.5-79.1-179.5-12.4112.8I8 Q11 S12 R13 K14 S19 I20I8-R16 PolarHBondContact O-NH2 2.94Å; Q11-R16 PolarHBondContact O-NH2 2.78Å; S12-R16 PolarHBondContact O-N 2.95Å; R13-R16 PolarHBondContact O-N 3.11Å; K14-R16 VanDerWaalsContact C-N 3.34Å; K14-R16 PolarHBondContact O-N 3.35Å; R16-S19 PolarHBondContact O-N 3.3Å; R16-I20 WeakPolarHBondContact O-CG1 3.22Å; R16-I20 PolarHBondContact O-N 2.96Å
17L86.4Confident84.8Confident76 Ų76100.8 Ų100.840%0.39851%0.509SS..Hα-helixtrans-63.5-43.4175.2-74.4172.1000111.2R13 K14 S19 I20 Q21R13-L17 HydrophobicContact CG-CD1 3.96Å; R13-L17 HydrophobicContact CG-CG 4.31Å; R13-L17 WeakPolarHBondContact O-CB 3.33Å; R13-L17 VanDerWaalsContact O-CG 3.31Å; R13-L17 WeakPolarHBondContact O-CG 3.42Å; R13-L17 PolarHBondContact O-N 3.04Å; K14-L17 PolarHBondContact O-N 3.05Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.22Å; L17-I20 PolarHBondContact O-N 3.5Å; L17-Q21 VanDerWaalsContact O-CB 3.29Å; L17-Q21 WeakPolarHBondContact O-CB 3.33Å; L17-Q21 WeakPolarHBondContact O-CG 3.19Å; L17-Q21 PolarHBondContact O-N 3.39Å
18E87.6Confident84.6Confident64 Ų64101.6 Ų101.630%0.29951%0.508SS..Hα-helixtrans-61.4-40.8175.5-73.4171.2-18000111.5K14 T15 Q21 R22K14-E18 WeakPolarHBondContact CE-OE1 3.32Å; K14-E18 HydrophobicContact CG-CG 4.4Å; K14-E18 WeakPolarHBondContact CG-OE1 3.37Å; K14-E18 IonicContact NZ-OE1 3.98Å; K14-E18 WeakPolarHBondContact O-CB 3.42Å; K14-E18 VanDerWaalsContact O-CG 3.32Å; K14-E18 WeakPolarHBondContact O-CG 3.48Å; K14-E18 PolarHBondContact O-N 2.92Å; T15-E18 PolarHBondContact O-N 3.45Å; E18-Q21 PolarHBondContact O-N 2.87Å; E18-R22 WeakPolarHBondContact O-CB 3.42Å; E18-R22 WeakPolarHBondContact O-CG 3.31Å; E18-R22 PolarHBondContact O-N 3.43Å
19S84.3Confident84.6Confident63 Ų63103.9 Ų103.944%0.44152%0.517SS..Hα-helixtrans-60.4-48.6173.9-61.90000111.9T15 R16 L17 R22 L23T15-S19 PolarHBondContact O-N 2.92Å; T15-S19 PolarHBondContact O-OG 3.3Å; T15-S19 VanDerWaalsContact O-OG 3.11Å; R16-S19 PolarHBondContact O-N 3.3Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.22Å; S19-R22 PolarHBondContact O-N 3.34Å; S19-L23 WeakPolarHBondContact O-CG 3.45Å; S19-L23 PolarHBondContact O-N 3.01Å
20I84.7Confident84.7Confident91 Ų91101.2 Ų101.247%0.46749%0.493SS..Hα-helixtrans-66.8-39.6179.1-66.6168.4000111.1R16 L17 L23 N24R16-I20 WeakPolarHBondContact O-CG1 3.22Å; R16-I20 PolarHBondContact O-N 2.96Å; L17-I20 PolarHBondContact O-N 3.5Å; I20-L23 CarbonylContact O-C 3.59Å; I20-L23 PolarHBondContact O-N 2.93Å; I20-N24 WeakPolarHBondContact O-CB 3.44Å; I20-N24 VanDerWaalsContact O-CG 3.27Å; I20-N24 PolarHBondContact O-N 3.43Å
21Q86.2Confident85Confident107 Ų10798.9 Ų98.950%0.548%0.481SS..Hα-helixtrans-63.5-41.6177.3-76.8172.8-20.300111.5L17 E18 L23 N24 Q25L17-Q21 VanDerWaalsContact O-CB 3.29Å; L17-Q21 WeakPolarHBondContact O-CB 3.33Å; L17-Q21 WeakPolarHBondContact O-CG 3.19Å; L17-Q21 PolarHBondContact O-N 3.39Å; E18-Q21 PolarHBondContact O-N 2.87Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 2.99Å; Q21-N24 PolarHBondContact O-N 3.37Å; Q21-Q25 WeakPolarHBondContact O-CB 3.47Å; Q21-Q25 WeakPolarHBondContact O-CG 3.46Å; Q21-Q25 PolarHBondContact O-N 3.2Å
22R82.5Confident85.6Confident156 Ų15694.7 Ų94.759%0.58946%0.463SS*.Hα-helixtrans-60.6-43.4172.8-72.1174.3-158.4-156.66.4111.4E18 S19 Q25 Q26E18-R22 WeakPolarHBondContact O-CB 3.42Å; E18-R22 WeakPolarHBondContact O-CG 3.31Å; E18-R22 PolarHBondContact O-N 3.43Å; S19-R22 PolarHBondContact O-N 3.34Å; R22-Q25 PolarHBondContact O-N 2.8Å; R22-Q26 WeakPolarHBondContact O-CG 3.37Å; R22-Q26 PolarHBondContact O-N 3.01Å
23L83.7Confident86.1Confident45 Ų4592.2 Ų92.224%0.23645%0.446CS..Hα-helixtrans-65.6-36.6176.4-70.3173.3000112.8S19 I20 Q21 Q25 Q26 L28 V52S19-L23 WeakPolarHBondContact O-CG 3.45Å; S19-L23 PolarHBondContact O-N 3.01Å; I20-L23 CarbonylContact O-C 3.59Å; I20-L23 PolarHBondContact O-N 2.93Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 2.99Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q26 PolarHBondContact O-N 3.41Å; L23-L28 HydrophobicContact CB-CD1 4.22Å; L23-L28 HydrophobicContact CD2-CD1 4.22Å; L23-L28 HydrophobicContact CD2-CD2 4.26Å; L23-V52 HydrophobicContact CD1-CG1 3.74Å; L23-V52 HydrophobicContact CD2-CB 4.03Å; L23-V52 HydrophobicContact CD2-CG1 3.69Å; L23-V52 HydrophobicContact CG-CG1 4.39Å
24N82.1Confident86.6Confident127 Ų12783 Ų8368%0.67941%0.411SS*.Hα-helixtrans-73.9-26.7176.3-71.2-10.7000112.6I20 Q21I20-N24 WeakPolarHBondContact O-CB 3.44Å; I20-N24 VanDerWaalsContact O-CG 3.27Å; I20-N24 PolarHBondContact O-N 3.43Å; Q21-N24 PolarHBondContact O-N 3.37Å
25Q81Confident87.2Confident157 Ų15776.2 Ų76.273%0.73438%0.381SS*.Hα-helixtrans-76-29.6173.5-74.5169-1.800111.6Q21 R22 L23Q21-Q25 WeakPolarHBondContact O-CB 3.47Å; Q21-Q25 WeakPolarHBondContact O-CG 3.46Å; Q21-Q25 PolarHBondContact O-N 3.2Å; R22-Q25 PolarHBondContact O-N 2.8Å; L23-Q25 VanDerWaalsContact C-N 3.34Å
26Q77.6Confident87.7Confident114 Ų11473 Ų7353%0.53336%0.362SS..SBendtrans-76.7124168.6-69.6172.4-20.800108.1R22 L23 L28R22-Q26 WeakPolarHBondContact O-CG 3.37Å; R22-Q26 PolarHBondContact O-N 3.01Å; L23-Q26 PolarHBondContact O-N 3.41Å; Q26-L28 VanDerWaalsContact C-N 3.28Å; Q26-L28 HydrophobicContact CB-CD2 3.93Å; Q26-L28 PolarHBondContact O-N 3.26Å
27S76.9Confident88.1Confident92 Ų9268.3 Ų68.364%0.64335%0.345SS*.  trans-69.892.7168.3-168.80000107.8H29S27-H29 PolarHBondContact O-CD2 3.17Å; S27-H29 PolarHBondContact O-N 2.87Å; S27-H29 PolarHBondContact OG-CE1 2.78Å; S27-H29 VanDerWaalsContact OG-CE1 3.26Å; S27-H29 PolarHBondContact OG-NE2 3.26Å
28L83Confident88.6Confident72 Ų7268.3 Ų68.338%0.37735%0.347SS..  trans-71.1121.1-179.7-59.9-178.8000109.3L23 Q26L23-L28 HydrophobicContact CB-CD1 4.22Å; L23-L28 HydrophobicContact CD2-CD1 4.22Å; L23-L28 HydrophobicContact CD2-CD2 4.26Å; Q26-L28 VanDerWaalsContact C-N 3.28Å; Q26-L28 HydrophobicContact CB-CD2 3.93Å; Q26-L28 PolarHBondContact O-N 3.26Å
29H86.8Confident89Confident124 Ų12465.8 Ų65.857%0.57434%0.336SS*.  trans-123.590176.6-64.8-65.4000109S27 Q31S27-H29 PolarHBondContact O-CD2 3.17Å; S27-H29 PolarHBondContact O-N 2.87Å; S27-H29 PolarHBondContact OG-CE1 2.78Å; S27-H29 VanDerWaalsContact OG-CE1 3.26Å; S27-H29 PolarHBondContact OG-NE2 3.26Å; H29-Q31 PolarHBondContact O-N 3.35Å; H29-Q31 PolarHBondContact O-NE2 3.24Å
30P92.5Very high89.3Confident29 Ų2967.7 Ų67.719%0.18835%0.35CS..  trans-51.7126.9174.8-25.233.5000110.6G53 D54 Y56 V106P30-G53 VanDerWaalsContact CA-O 3.26Å; P30-G53 WeakPolarHBondContact CA-O 3.41Å; P30-G53 WeakPolarHBondContact CG-O 3.32Å; P30-D54 CarbonylContact C-O 3.29Å; P30-D54 WeakPolarHBondContact CA-O 3.45Å; P30-Y56 HydrophobicContact CB-CD2 3.91Å; P30-Y56 HydrophobicContact CB-CE2 3.73Å; P30-Y56 HydrophobicContact CG-CD2 4.33Å; P30-Y56 HydrophobicContact CG-CE2 3.8Å; P30-V106 HydrophobicContact CB-CG2 4.11Å
31Q93.4Very high89.6Confident108 Ų10868.2 Ų68.251%0.50535%0.346SS..  trans-97.5-19.6177.6-61.8-56.2-6700111.8H29 D54 V106 P107 E108H29-Q31 PolarHBondContact O-N 3.35Å; H29-Q31 PolarHBondContact O-NE2 3.24Å; Q31-D54 PolarHBondContact N-O 2.81Å; Q31-V106 VanDerWaalsContact C-CG1 3.47Å; Q31-V106 WeakPolarHBondContact O-CG1 3.47Å; Q31-P107 VanDerWaalsContact O-CD 3.31Å; Q31-P107 WeakPolarHBondContact O-CD 3.26Å; Q31-E108 VanDerWaalsContact O-CB 3.32Å; Q31-E108 WeakPolarHBondContact O-CB 3.49Å; Q31-E108 WeakPolarHBondContact O-CG 3.46Å; Q31-E108 PolarHBondContact O-N 2.83Å; Q31-E108 VanDerWaalsContact O-N 3.11Å
32A96.3Very high89.2Confident6 Ų663.5 Ų63.55%0.0532%0.323CS..EExtended strand (participates in β ladder)trans-134.5158.4179.300000114.6L34 D54 A55 Y56 E108 I110A32-L34 HydrophobicContact CB-CD2 4.1Å; A32-D54 PolarHBondContact N-O 2.81Å; A32-A55 HydrophobicContact CB-CB 3.93Å; A32-A55 CarbonylContact O-C 3.42Å; A32-A55 WeakPolarHBondContact O-CA 3.41Å; A32-A55 VanDerWaalsContact O-CB 3.32Å; A32-A55 WeakPolarHBondContact O-CB 3.22Å; A32-Y56 PolarHBondContact O-N 2.97Å; A32-E108 CarbonylContact C-O 3.57Å; A32-E108 WeakPolarHBondContact CA-O 3.31Å; A32-E108 HydrophobicContact CB-CB 3.79Å; A32-I110 HydrophobicContact CB-CD1 4.06Å; A32-I110 HydrophobicContact CB-CG1 4.5Å
33I97.7Very high89.2Confident0 Ų059.5 Ų59.50%032%0.316CS..EExtended strand (participates in β ladder)trans-115.5129.4156.3179.8167.1000108.7F35 Y56 V58 S96 A100 E108 V109 I110I33-F35 HydrophobicContact CD1-CE1 4.48Å; I33-F35 HydrophobicContact CD1-CE2 3.9Å; I33-F35 HydrophobicContact CD1-CZ 3.65Å; I33-F35 HydrophobicContact CG1-CE2 3.89Å; I33-F35 HydrophobicContact CG1-CZ 4.11Å; I33-F35 HydrophobicContact CG2-CE2 4.25Å; I33-Y56 CarbonylContact C-O 3.49Å; I33-Y56 WeakPolarHBondContact CA-O 3.43Å; I33-V58 HydrophobicContact CD1-CG2 4.11Å; I33-S96 WeakPolarHBondContact CD1-O 3.39Å; I33-A100 HydrophobicContact CB-CB 3.77Å; I33-A100 HydrophobicContact CD1-CB 3.65Å; I33-A100 HydrophobicContact CG1-CB 4.24Å; I33-A100 HydrophobicContact CG2-CB 4.02Å; I33-E108 PolarHBondContact N-O 3.3Å; I33-V109 HydrophobicContact CG2-CB 4.18Å; I33-V109 HydrophobicContact CG2-CG1 4.01Å; I33-V109 HydrophobicContact CG2-CG2 3.92Å; I33-I110 PolarHBondContact O-N 3.08Å
34L97.3Very high89Confident0 Ų057.6 Ų57.60%031%0.306CS..EExtended strand (participates in β ladder)trans-106.6129.4-179-46.1177.3000110.1A32 T44 L48 L50 A55 Y56 T57 V58 I110A32-L34 HydrophobicContact CB-CD2 4.1Å; L34-T44 HydrophobicContact CD1-CG2 3.88Å; L34-L48 HydrophobicContact CD1-CD1 4.27Å; L34-L48 HydrophobicContact CD2-CD1 4.04Å; L34-L50 HydrophobicContact CD1-CD1 3.59Å; L34-L50 HydrophobicContact CD2-CD1 4.23Å; L34-L50 HydrophobicContact CG-CD1 4.4Å; L34-A55 HydrophobicContact CD1-CB 4.08Å; L34-A55 HydrophobicContact CD2-CB 4.41Å; L34-A55 HydrophobicContact CG-CB 3.93Å; L34-Y56 PolarHBondContact N-O 3.45Å; L34-T57 HydrophobicContact CB-CG2 4.49Å; L34-V58 PolarHBondContact O-N 2.99Å; L34-I110 CarbonylContact C-O 3.53Å; L34-I110 WeakPolarHBondContact CA-O 3.45Å; L34-I110 HydrophobicContact CD2-CB 3.82Å; L34-I110 HydrophobicContact CD2-CD1 3.86Å; L34-I110 HydrophobicContact CD2-CG1 4.18Å; L34-I110 HydrophobicContact CD2-CG2 4.43Å
35F97.8Very high88.8Confident0 Ų053.9 Ų53.90%029%0.29CS..EExtended strand (participates in β ladder)trans-106.9115.9167.5-67.8-84.7000109.4I33 V58 I65 A93 L97 V109 I110 V111 C112 I202I33-F35 HydrophobicContact CD1-CE1 4.48Å; I33-F35 HydrophobicContact CD1-CE2 3.9Å; I33-F35 HydrophobicContact CD1-CZ 3.65Å; I33-F35 HydrophobicContact CG1-CE2 3.89Å; I33-F35 HydrophobicContact CG1-CZ 4.11Å; I33-F35 HydrophobicContact CG2-CE2 4.25Å; F35-V58 HydrophobicContact CD1-CB 3.69Å; F35-V58 HydrophobicContact CD1-CG1 3.98Å; F35-V58 HydrophobicContact CD1-CG2 4.14Å; F35-V58 HydrophobicContact CE1-CB 3.79Å; F35-V58 HydrophobicContact CE1-CG1 4.03Å; F35-V58 HydrophobicContact CE1-CG2 3.73Å; F35-V58 HydrophobicContact CZ-CG2 4.33Å; F35-I65 HydrophobicContact CB-CD1 3.81Å; F35-I65 HydrophobicContact CD1-CD1 3.81Å; F35-I65 HydrophobicContact CD1-CG1 3.54Å; F35-I65 HydrophobicContact CD2-CD1 4.08Å; F35-I65 HydrophobicContact CD2-CG1 4.32Å; F35-I65 HydrophobicContact CE1-CD1 4.44Å; F35-I65 HydrophobicContact CE1-CG1 3.76Å; F35-I65 HydrophobicContact CE2-CG1 4.49Å; F35-I65 HydrophobicContact CG-CD1 3.61Å; F35-I65 HydrophobicContact CG-CG1 3.86Å; F35-I65 HydrophobicContact CZ-CG1 4.24Å; F35-A93 HydrophobicContact CD1-CB 4.2Å; F35-A93 HydrophobicContact CE1-CB 3.79Å; F35-A93 WeakPolarHBondContact CE1-O 3.32Å; F35-L97 HydrophobicContact CE2-CD1 4.1Å; F35-L97 HydrophobicContact CZ-CB 3.96Å; F35-L97 HydrophobicContact CZ-CD1 4.26Å; F35-V109 HydrophobicContact CD2-CG1 4.4Å; F35-V109 HydrophobicContact CE2-CG1 4.07Å; F35-I110 PolarHBondContact N-O 3.22Å; F35-V111 HydrophobicContact CB-CG2 4.43Å; F35-C112 PolarHBondContact O-N 2.72Å; F35-I202 HydrophobicContact CD2-CD1 4.49Å
36C96.5Very high88.8Confident0 Ų056.3 Ų56.30%029%0.293CS..EExtended strand (participates in β ladder)trans-135.7157.7-168.6-52.80000112.1F42 T44 V58 R59 N60 N63 C112C36-F42 HydrophobicContact CB-CD1 4.01Å; C36-F42 HydrophobicContact CB-CE1 3.84Å; C36-T44 WeakPolarHBondContact CB-OG1 3.32Å; C36-T44 WeakPolarHBondContact SG-CG2 3.49Å; C36-T44 PolarHBondContact SG-OG1 2.75Å; C36-V58 PolarHBondContact N-O 3.41Å; C36-R59 HydrophobicContact CB-CG 4.37Å; C36-R59 VanDerWaalsContact O-CA 3.26Å; C36-R59 WeakPolarHBondContact O-CA 3.32Å; C36-N60 PolarHBondContact O-N 3.42Å; C36-N60 VanDerWaalsContact O-N 3.16Å; C36-N63 VanDerWaalsContact C-CB 3.43Å; C36-C112 HydrophobicContact CB-CB 4.48Å
37C96.8Very high89.1Confident4 Ų454.7 Ų54.73%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-72.8151.9177-168.90000110.6D39 R59 N60 H114C37-D39 HydrophobicContact CB-CB 4.49Å; C37-D39 PolarHBondContact O-N 3.32Å; C37-R59 PolarHBondContact O-NE 3Å; C37-R59 VanDerWaalsContact O-NE 3.11Å; C37-R59 PolarHBondContact O-NH2 3.19Å; C37-N60 WeakPolarHBondContact CA-O 3.39Å; C37-H114 VanDerWaalsContact CB-CD2 3.44Å; C37-H114 WeakPolarHBondContact CB-CD2 3.15Å; C37-H114 WeakPolarHBondContact CB-NE2 3.41Å; C37-H114 PolarHBondContact SG-NE2 2.91Å
38V96.3Very high89.6Confident75 Ų7552.7 Ų52.746%0.45527%0.266SS..  trans-71.23171.8-68.40000113.9S40 R59 N60 P61V38-S40 PolarHBondContact O-N 2.84Å; V38-R59 HydrophobicContact CG1-CB 4.04Å; V38-N60 PolarHBondContact N-O 2.95Å; V38-N60 VanDerWaalsContact N-O 3.15Å; V38-P61 HydrophobicContact CG2-CB 4.4Å; V38-P61 HydrophobicContact CG2-CG 4.08Å
39D95.5Very high89.8Confident11 Ų1152.3 Ų52.36%0.05928%0.28CS..  trans-52.9128.3178.4-168-65.7000111.4C37 R41 F42 R59 H114C37-D39 HydrophobicContact CB-CB 4.49Å; C37-D39 PolarHBondContact O-N 3.32Å; D39-R41 PolarHBondContact O-N 3.45Å; D39-R41 VanDerWaalsContact OD1-CB 3.25Å; D39-R41 WeakPolarHBondContact OD1-CB 3.35Å; D39-R41 IonicContact OD1-CZ 3.49Å; D39-R41 PolarHBondContact OD1-N 3.36Å; D39-R41 IonicContact OD1-NE 3.36Å; D39-R41 PolarHBondContact OD1-NE 2.97Å; D39-R41 IonicContact OD1-NH2 2.91Å; D39-R41 IonicContact OD2-CZ 3.86Å; D39-R41 IonicContact OD2-NE 3.01Å; D39-R41 PolarHBondContact OD2-NE 2.86Å; D39-R41 IonicContact OD2-NH2 3.83Å; D39-R41 PolarHBondContact OD2-NH2 3.3Å; D39-F42 HydrophobicContact CB-CB 4.31Å; D39-F42 PolarHBondContact O-N 2.84Å; D39-R59 PolarHBondContact O-NH2 3.47Å; D39-H114 IonicContact OD2-CE1 3.59Å
40S91.5Very high89.9Confident104 Ų10448.6 Ų48.673%0.72726%0.264SS*.THydrogen-bonded Turntrans-69-17.8-173.655.50000114.1V38 F42V38-S40 PolarHBondContact O-N 2.84Å; S40-F42 VanDerWaalsContact C-N 3.32Å
41R90.1Very high89.6Confident102 Ų10253.4 Ų53.439%0.38529%0.288SS..THydrogen-bonded Turntrans-80.3-19.6175.1-59.1167.9-71.8-174.2-2.1111.5D39 V43 D116 F226D39-R41 PolarHBondContact O-N 3.45Å; D39-R41 VanDerWaalsContact OD1-CB 3.25Å; D39-R41 WeakPolarHBondContact OD1-CB 3.35Å; D39-R41 IonicContact OD1-CZ 3.49Å; D39-R41 PolarHBondContact OD1-N 3.36Å; D39-R41 IonicContact OD1-NE 3.36Å; D39-R41 PolarHBondContact OD1-NE 2.97Å; D39-R41 IonicContact OD1-NH2 2.91Å; D39-R41 IonicContact OD2-CZ 3.86Å; D39-R41 IonicContact OD2-NE 3.01Å; D39-R41 PolarHBondContact OD2-NE 2.86Å; D39-R41 IonicContact OD2-NH2 3.83Å; D39-R41 PolarHBondContact OD2-NH2 3.3Å; R41-V43 PolarHBondContact O-N 3.42Å; R41-D116 IonicContact CZ-OD2 3.65Å; R41-D116 VanDerWaalsContact CZ-OD2 3.3Å; R41-D116 IonicContact NH1-OD2 3.57Å; R41-D116 PolarHBondContact NH1-OD2 3.37Å; R41-D116 PolarHBondContact NH2-O 2.7Å; R41-D116 IonicContact NH2-OD2 2.84Å; R41-D116 PolarHBondContact NH2-OD2 3.37Å; R41-F226 HydrophobicContact CB-CE1 4.09Å; R41-F226 HydrophobicContact CB-CE2 4.49Å; R41-F226 HydrophobicContact CB-CZ 3.88Å
42F78.9Confident89.2Confident7 Ų753 Ų533%0.03129%0.293CS..  trans-93.9102-174.9-156.9-121000110.9C36 D39 S40 T44 F47 R59 C112 L224 F226C36-F42 HydrophobicContact CB-CD1 4.01Å; C36-F42 HydrophobicContact CB-CE1 3.84Å; D39-F42 HydrophobicContact CB-CB 4.31Å; D39-F42 PolarHBondContact O-N 2.84Å; S40-F42 VanDerWaalsContact C-N 3.32Å; F42-T44 WeakPolarHBondContact CD1-OG1 3.09Å; F42-T44 HydrophobicContact CE1-CG2 3.93Å; F42-T44 WeakPolarHBondContact CE1-OG1 3.38Å; F42-T44 HydrophobicContact CZ-CG2 4.08Å; F42-F47 HydrophobicContact CD2-CD2 4.24Å; F42-F47 HydrophobicContact CD2-CE2 4.36Å; F42-F47 HydrophobicContact CE2-CD2 4.35Å; F42-R59 VanDerWaalsContact O-CZ 3.31Å; F42-R59 PolarHBondContact O-NH1 2.95Å; F42-R59 PolarHBondContact O-NH2 3.08Å; F42-C112 HydrophobicContact CE1-CB 3.7Å; F42-C112 HydrophobicContact CZ-CB 3.77Å; F42-L224 HydrophobicContact CD2-CD2 3.64Å; F42-L224 HydrophobicContact CE2-CB 3.9Å; F42-L224 HydrophobicContact CE2-CD2 3.47Å; F42-L224 VanDerWaalsContact CE2-CD2 3.47Å; F42-L224 HydrophobicContact CE2-CG 4.32Å; F42-F226 HydrophobicContact CB-CZ 4.29Å; F42-F226 HydrophobicContact CD2-CE1 4.27Å; F42-F226 HydrophobicContact CD2-CZ 4.29Å
43V82.1Confident88.8Confident73 Ų7353.6 Ų53.644%0.44230%0.3SS..  trans-109.287.5167.7-1770000107.2R41 S45 R46 F47R41-V43 PolarHBondContact O-N 3.42Å; V43-S45 VanDerWaalsContact C-N 3.32Å; V43-S45 PolarHBondContact O-N 2.82Å; V43-R46 HydrophobicContact CB-CB 4.33Å; V43-R46 HydrophobicContact CG1-CB 4.09Å; V43-R46 WeakPolarHBondContact O-CB 3.26Å; V43-R46 PolarHBondContact O-N 2.76Å; V43-F47 VanDerWaalsContact O-CD2 3.27Å; V43-F47 WeakPolarHBondContact O-CD2 3.44Å; V43-F47 PolarHBondContact O-N 3.35Å
44T78.2Confident88.5Confident4 Ų456.5 Ų56.53%0.02532%0.315CS..Hα-helixtrans-54.6-45.3-167.6-40.50000113.2L34 C36 F42 R46 F47 L48 C112L34-T44 HydrophobicContact CD1-CG2 3.88Å; C36-T44 WeakPolarHBondContact CB-OG1 3.32Å; C36-T44 WeakPolarHBondContact SG-CG2 3.49Å; C36-T44 PolarHBondContact SG-OG1 2.75Å; F42-T44 WeakPolarHBondContact CD1-OG1 3.09Å; F42-T44 HydrophobicContact CE1-CG2 3.93Å; F42-T44 WeakPolarHBondContact CE1-OG1 3.38Å; F42-T44 HydrophobicContact CZ-CG2 4.08Å; T44-R46 PolarHBondContact O-N 2.82Å; T44-F47 PolarHBondContact O-N 2.89Å; T44-F47 VanDerWaalsContact O-N 3.09Å; T44-L48 HydrophobicContact CG2-CD1 3.63Å; T44-L48 HydrophobicContact CG2-CG 4.01Å; T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 3.29Å; T44-C112 HydrophobicContact CG2-CB 4.24Å
45S78Confident88.4Confident49 Ų4957.6 Ų57.634%0.34332%0.324SS..Hα-helixtrans-56.6-38.7-179.956.70000112.3V43 L48 G49 L50V43-S45 VanDerWaalsContact C-N 3.32Å; V43-S45 PolarHBondContact O-N 2.82Å; S45-L48 PolarHBondContact O-N 2.77Å; S45-G49 PolarHBondContact O-N 3.18Å; S45-L50 PolarHBondContact O-N 2.96Å
46R82.7Confident88.3Confident208 Ų20861.3 Ų61.379%0.78534%0.339SS*.Hα-helixtrans-67.3-41.7177.5-176.7178176139.90.6112.7V43 T44 L48V43-R46 HydrophobicContact CB-CB 4.33Å; V43-R46 HydrophobicContact CG1-CB 4.09Å; V43-R46 WeakPolarHBondContact O-CB 3.26Å; V43-R46 PolarHBondContact O-N 2.76Å; T44-R46 PolarHBondContact O-N 2.82Å; R46-L48 VanDerWaalsContact C-N 3.34Å
47F82.3Confident88.2Confident81 Ų8164.7 Ų64.736%0.35536%0.359SS..Hα-helixtrans-73.9-27.8-179.5-70.4-73.4000112.8F42 V43 T44 L224F42-F47 HydrophobicContact CD2-CD2 4.24Å; F42-F47 HydrophobicContact CD2-CE2 4.36Å; F42-F47 HydrophobicContact CE2-CD2 4.35Å; V43-F47 VanDerWaalsContact O-CD2 3.27Å; V43-F47 WeakPolarHBondContact O-CD2 3.44Å; V43-F47 PolarHBondContact O-N 3.35Å; T44-F47 PolarHBondContact O-N 2.89Å; T44-F47 VanDerWaalsContact O-N 3.09Å; F47-L224 HydrophobicContact CD1-CD2 4.42Å; F47-L224 HydrophobicContact CD2-CD2 4.43Å; F47-L224 HydrophobicContact CE1-CD2 4.36Å; F47-L224 HydrophobicContact CE2-CD2 4.37Å; F47-L224 HydrophobicContact CG-CD2 4.47Å; F47-L224 HydrophobicContact CZ-CD2 4.34Å
48L87.3Confident88.2Confident49 Ų4964.6 Ų64.626%0.25736%0.359SS..THydrogen-bonded Turntrans-92.80.2177.9-59.3-173.3000113.6L34 T44 S45 R46 L50 L222L34-L48 HydrophobicContact CD1-CD1 4.27Å; L34-L48 HydrophobicContact CD2-CD1 4.04Å; T44-L48 HydrophobicContact CG2-CD1 3.63Å; T44-L48 HydrophobicContact CG2-CG 4.01Å; T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 3.29Å; S45-L48 PolarHBondContact O-N 2.77Å; R46-L48 VanDerWaalsContact C-N 3.34Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 HydrophobicContact CB-CD1 3.88Å; L48-L50 HydrophobicContact CB-CG 3.83Å; L48-L50 HydrophobicContact CD1-CD1 4.11Å; L48-L50 PolarHBondContact O-N 2.89Å; L48-L222 HydrophobicContact CD1-CD1 4.02Å; L48-L222 HydrophobicContact CD2-CD1 3.41Å; L48-L222 VanDerWaalsContact CD2-CD1 3.41Å; L48-L222 HydrophobicContact CG-CD1 4.38Å
49G87.2Confident88.2Confident65 Ų6565.3 Ų65.367%0.6735%0.354SS*.THydrogen-bonded Turntrans65.629.4-178.300000113.8S45S45-G49 PolarHBondContact O-N 3.18Å
50L88.9Confident88.2Confident45 Ų4565.7 Ų65.724%0.23636%0.355CS..  trans-92.9138.2-179.8-57.5172.2000111.1L34 S45 L48 D54 A55L34-L50 HydrophobicContact CD1-CD1 3.59Å; L34-L50 HydrophobicContact CD2-CD1 4.23Å; L34-L50 HydrophobicContact CG-CD1 4.4Å; S45-L50 PolarHBondContact O-N 2.96Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 HydrophobicContact CB-CD1 3.88Å; L48-L50 HydrophobicContact CB-CG 3.83Å; L48-L50 HydrophobicContact CD1-CD1 4.11Å; L48-L50 PolarHBondContact O-N 2.89Å; L50-D54 WeakPolarHBondContact CA-OD2 3.39Å; L50-D54 HydrophobicContact CB-CB 4.11Å; L50-D54 HydrophobicContact CD2-CB 4.06Å; L50-A55 HydrophobicContact CD1-CB 4.08Å
51D87.1Confident88.5Confident130 Ų13062.8 Ų62.870%0.69533%0.334SS*.  trans-95.6176.5174.4-86.1-39.7000112.4G53 D54D51-G53 PolarHBondContact O-N 3.11Å; D51-D54 PolarHBondContact N-OD2 2.83Å; D51-D54 PolarHBondContact O-N 2.91Å
52V85.4Confident88.8Confident100 Ų10058 Ų5861%0.60632%0.316SS*.THydrogen-bonded Turntrans-65.1120.4178.5-179.90000109.9L23L23-V52 HydrophobicContact CD1-CG1 3.74Å; L23-V52 HydrophobicContact CD2-CB 4.03Å; L23-V52 HydrophobicContact CD2-CG1 3.69Å; L23-V52 HydrophobicContact CG-CG1 4.39Å
53G88Confident89.7Confident19 Ų1957.7 Ų57.720%0.19632%0.315CS..THydrogen-bonded Turntrans99.2-8.1179.100000114.4P30 D51 A55P30-G53 VanDerWaalsContact CA-O 3.26Å; P30-G53 WeakPolarHBondContact CA-O 3.41Å; P30-G53 WeakPolarHBondContact CG-O 3.32Å; D51-G53 PolarHBondContact O-N 3.11Å; G53-A55 VanDerWaalsContact C-N 3.34Å
54D91.1Very high90.4Very high60 Ų6054.2 Ų54.232%0.32129%0.294SS..SBendtrans-71.5-29.7178.2-71.6-6.2000112.8P30 Q31 A32 L50 D51P30-D54 CarbonylContact C-O 3.29Å; P30-D54 WeakPolarHBondContact CA-O 3.45Å; Q31-D54 PolarHBondContact N-O 2.81Å; A32-D54 PolarHBondContact N-O 2.81Å; L50-D54 WeakPolarHBondContact CA-OD2 3.39Å; L50-D54 HydrophobicContact CB-CB 4.11Å; L50-D54 HydrophobicContact CD2-CB 4.06Å; D51-D54 PolarHBondContact N-OD2 2.83Å; D51-D54 PolarHBondContact O-N 2.91Å
55A94.3Very high91.3Very high24 Ų2454 Ų5420%0.19829%0.293CS..EExtended strand (participates in β ladder)trans-151.2146.6-176.100000114.2A32 L34 L50 G53A32-A55 HydrophobicContact CB-CB 3.93Å; A32-A55 CarbonylContact O-C 3.42Å; A32-A55 WeakPolarHBondContact O-CA 3.41Å; A32-A55 VanDerWaalsContact O-CB 3.32Å; A32-A55 WeakPolarHBondContact O-CB 3.22Å; L34-A55 HydrophobicContact CD1-CB 4.08Å; L34-A55 HydrophobicContact CD2-CB 4.41Å; L34-A55 HydrophobicContact CG-CB 3.93Å; L50-A55 HydrophobicContact CD1-CB 4.08Å; G53-A55 VanDerWaalsContact C-N 3.34Å
56Y95.5Very high92Very high77 Ų7752.2 Ų52.230%0.30228%0.28SS..EExtended strand (participates in β ladder)trans-71.1146159-65.3-75.2000109.4P30 A32 I33 L34 L99 A100 S104 V106P30-Y56 HydrophobicContact CB-CD2 3.91Å; P30-Y56 HydrophobicContact CB-CE2 3.73Å; P30-Y56 HydrophobicContact CG-CD2 4.33Å; P30-Y56 HydrophobicContact CG-CE2 3.8Å; A32-Y56 PolarHBondContact O-N 2.97Å; I33-Y56 CarbonylContact C-O 3.49Å; I33-Y56 WeakPolarHBondContact CA-O 3.43Å; L34-Y56 PolarHBondContact N-O 3.45Å; Y56-L99 HydrophobicContact CD1-CD2 4.4Å; Y56-L99 HydrophobicContact CE1-CD2 3.86Å; Y56-L99 HydrophobicContact CE2-CD2 4.43Å; Y56-A100 HydrophobicContact CD2-CB 3.7Å; Y56-A100 HydrophobicContact CE2-CB 4.16Å; Y56-A100 HydrophobicContact CG-CB 4.37Å; Y56-S104 PolarHBondContact OH-OG 2.81Å; Y56-V106 HydrophobicContact CD2-CG2 3.93Å; Y56-V106 HydrophobicContact CE2-CG2 3.75Å
57T94.9Very high92.4Very high71 Ų7144.8 Ų44.844%0.43625%0.253SS..EExtended strand (participates in β ladder)trans-133.3122.8178-58.40000110.3L34 R59L34-T57 HydrophobicContact CB-CG2 4.49Å; T57-R59 HydrophobicContact CG2-CG 3.81Å
58V96.6Very high92.6Very high3 Ų342.4 Ų42.42%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-109.6129.1172.7-176.60000108.4I33 L34 F35 C36 A93I33-V58 HydrophobicContact CD1-CG2 4.11Å; L34-V58 PolarHBondContact O-N 2.99Å; F35-V58 HydrophobicContact CD1-CB 3.69Å; F35-V58 HydrophobicContact CD1-CG1 3.98Å; F35-V58 HydrophobicContact CD1-CG2 4.14Å; F35-V58 HydrophobicContact CE1-CB 3.79Å; F35-V58 HydrophobicContact CE1-CG1 4.03Å; F35-V58 HydrophobicContact CE1-CG2 3.73Å; F35-V58 HydrophobicContact CZ-CG2 4.33Å; C36-V58 PolarHBondContact N-O 3.41Å; V58-A93 HydrophobicContact CG1-CB 4.19Å
59R96.1Very high92.1Very high90 Ų9044 Ų4434%0.3425%0.251SS..EExtended strand (participates in β ladder)trans-125.4120.2-179.6-56.9-17164.3-176.5-0111.7C36 C37 V38 D39 F42 T57C36-R59 HydrophobicContact CB-CG 4.37Å; C36-R59 VanDerWaalsContact O-CA 3.26Å; C36-R59 WeakPolarHBondContact O-CA 3.32Å; C37-R59 PolarHBondContact O-NE 3Å; C37-R59 VanDerWaalsContact O-NE 3.11Å; C37-R59 PolarHBondContact O-NH2 3.19Å; V38-R59 HydrophobicContact CG1-CB 4.04Å; D39-R59 PolarHBondContact O-NH2 3.47Å; F42-R59 VanDerWaalsContact O-CZ 3.31Å; F42-R59 PolarHBondContact O-NH1 2.95Å; F42-R59 PolarHBondContact O-NH2 3.08Å; T57-R59 HydrophobicContact CG2-CG 3.81Å
60N96.8Very high90.8Very high18 Ų1845.2 Ų45.210%0.09625%0.248CC..EExtended strand (participates in β ladder)trans-141.8167.3174.868.844.7000111.8C36 C37 V38 G62 N63 I64C36-N60 PolarHBondContact O-N 3.42Å; C36-N60 VanDerWaalsContact O-N 3.16Å; C37-N60 WeakPolarHBondContact CA-O 3.39Å; V38-N60 PolarHBondContact N-O 2.95Å; V38-N60 VanDerWaalsContact N-O 3.15Å; N60-G62 PolarHBondContact O-N 3.31Å; N60-G62 VanDerWaalsContact O-N 3.09Å; N60-N63 PolarHBondContact O-N 3.04Å; N60-N63 WeakPolarHBondContact OD1-CA 3.34Å; N60-N63 PolarHBondContact OD1-N 3.13Å; N60-N63 VanDerWaalsContact OD1-N 3.07Å; N60-I64 PolarHBondContact ND2-O 3.14Å; N60-I64 PolarHBondContact OD1-N 3Å
61P96.9Very high89.2Confident44 Ų4446.6 Ų46.629%0.28627%0.273SS..G310 helixtrans-59.6112.2175.1-23.535000111.8V38 A119 L139 W142V38-P61 HydrophobicContact CG2-CB 4.4Å; V38-P61 HydrophobicContact CG2-CG 4.08Å; P61-A119 HydrophobicContact CB-CB 4.28Å; P61-L139 HydrophobicContact CB-CD1 3.6Å; P61-L139 HydrophobicContact CG-CD1 4.01Å; P61-W142 PolarHBondContact O-NE1 3.44Å
62G97.1Very high87.4Confident0 Ų042.2 Ų42.20%026%0.258CS..G310 helixtrans80.714.7179.200000115N60 I64 N194N60-G62 PolarHBondContact O-N 3.31Å; N60-G62 VanDerWaalsContact O-N 3.09Å; G62-I64 VanDerWaalsContact O-CG1 3.23Å; G62-I64 WeakPolarHBondContact O-CG1 3.23Å; G62-I64 PolarHBondContact O-N 2.91Å; G62-N194 PolarHBondContact O-ND2 3.04Å
63N97Very high85.5Confident2 Ų239 Ų391%0.01124%0.24CC..G310 helixtrans51.132177.357.3-84.6000114.1C36 N60 V111 Q198C36-N63 VanDerWaalsContact C-CB 3.43Å; N60-N63 PolarHBondContact O-N 3.04Å; N60-N63 WeakPolarHBondContact OD1-CA 3.34Å; N60-N63 PolarHBondContact OD1-N 3.13Å; N60-N63 VanDerWaalsContact OD1-N 3.07Å; N63-V111 VanDerWaalsContact ND2-CG1 3.28Å; N63-V111 WeakPolarHBondContact ND2-CG1 3.41Å; N63-Q198 WeakPolarHBondContact O-CG 3.47Å
64I97.3Very high83.7Confident0 Ų039 Ų390%024%0.236CC..  trans-84.1134-170.3-54.2177000110.4N60 G62 W142 L143 Q146N60-I64 PolarHBondContact ND2-O 3.14Å; N60-I64 PolarHBondContact OD1-N 3Å; G62-I64 VanDerWaalsContact O-CG1 3.23Å; G62-I64 WeakPolarHBondContact O-CG1 3.23Å; G62-I64 PolarHBondContact O-N 2.91Å; I64-W142 HydrophobicContact CB-CZ2 3.75Å; I64-W142 HydrophobicContact CG2-CZ2 4.22Å; I64-L143 HydrophobicContact CD1-CD2 3.98Å; I64-Q146 HydrophobicContact CD1-CB 4.19Å; I64-Q146 HydrophobicContact CG2-CB 3.61Å; I64-Q146 HydrophobicContact CG2-CG 4.44Å
65I95.9Very high81.6Confident0 Ų037 Ų370%023%0.227CC..  trans-110.7122.6167.8-57.495.6000106.3F35 A93 V111 Q198 N201 I202F35-I65 HydrophobicContact CB-CD1 3.81Å; F35-I65 HydrophobicContact CD1-CD1 3.81Å; F35-I65 HydrophobicContact CD1-CG1 3.54Å; F35-I65 HydrophobicContact CD2-CD1 4.08Å; F35-I65 HydrophobicContact CD2-CG1 4.32Å; F35-I65 HydrophobicContact CE1-CD1 4.44Å; F35-I65 HydrophobicContact CE1-CG1 3.76Å; F35-I65 HydrophobicContact CE2-CG1 4.49Å; F35-I65 HydrophobicContact CG-CD1 3.61Å; F35-I65 HydrophobicContact CG-CG1 3.86Å; F35-I65 HydrophobicContact CZ-CG1 4.24Å; I65-A93 HydrophobicContact CG1-CB 4.15Å; I65-A93 HydrophobicContact CG2-CB 4.48Å; I65-V111 HydrophobicContact CD1-CG2 4.15Å; I65-Q198 HydrophobicContact CD1-CB 3.72Å; I65-Q198 HydrophobicContact CD1-CG 3.99Å; I65-Q198 PolarHBondContact O-OE1 3Å; I65-Q198 VanDerWaalsContact O-OE1 3.08Å; I65-N201 WeakPolarHBondContact O-CB 3.39Å; I65-N201 PolarHBondContact O-ND2 3.05Å; I65-I202 HydrophobicContact CB-CG1 4.38Å; I65-I202 HydrophobicContact CD1-CD1 4.05Å; I65-I202 HydrophobicContact CD1-CG1 4.27Å; I65-I202 HydrophobicContact CG1-CG1 4.32Å; I65-I202 HydrophobicContact CG2-CG1 4.27Å
66P93.3Very high79.3Confident11 Ų1140.2 Ų40.27%0.07124%0.242CC..  trans-59.2140.4-180-25.934000113.2T91 W142 H205P66-T91 VanDerWaalsContact CD-OG1 3.23Å; P66-T91 WeakPolarHBondContact CD-OG1 3.25Å; P66-T91 HydrophobicContact CG-CG2 3.46Å; P66-T91 VanDerWaalsContact CG-CG2 3.46Å; P66-T91 WeakPolarHBondContact CG-OG1 3.43Å; P66-W142 HydrophobicContact CG-CH2 4.24Å; P66-W142 HydrophobicContact CG-CZ3 4.48Å; P66-H205 PolarHBondContact O-NE2 3.09Å
67F90.8Very high77.1Confident51 Ų5140.3 Ų40.322%0.22425%0.247CC..  trans-70.4140.9173-172.3-94000111.5F69 E200 N201F67-F69 HydrophobicContact CD1-CD1 4.02Å; F67-F69 HydrophobicContact CD1-CD2 4.3Å; F67-F69 HydrophobicContact CD1-CE1 4.15Å; F67-F69 HydrophobicContact CD1-CE2 4.41Å; F67-F69 HydrophobicContact CD1-CG 4.1Å; F67-F69 HydrophobicContact CD1-CZ 4.34Å; F67-F69 HydrophobicContact CE1-CD1 4.07Å; F67-F69 HydrophobicContact CE1-CE1 4.44Å; F67-F69 HydrophobicContact CE1-CG 4.37Å; F67-E200 HydrophobicContact CE2-CG 4.25Å; F67-N201 HydrophobicContact CB-CB 4.42Å; F67-N201 HydrophobicContact CD2-CB 4.43Å; F67-N201 WeakPolarHBondContact CD2-OD1 3.48Å
68C86.9Confident74.9Confident31 Ų3138.3 Ų38.321%0.20923%0.234CC..  trans-97102.5172179.80000110.3S204C68-S204 WeakPolarHBondContact CB-OG 3.35Å; C68-S204 PolarHBondContact N-OG 2.77Å
69F76Confident72.7Confident83 Ų8341 Ų4136%0.36425%0.247SC..  trans-61.9139.1175.4-67.1-83.4000112.2F67 G71 G72 S73 V74F67-F69 HydrophobicContact CD1-CD1 4.02Å; F67-F69 HydrophobicContact CD1-CD2 4.3Å; F67-F69 HydrophobicContact CD1-CE1 4.15Å; F67-F69 HydrophobicContact CD1-CE2 4.41Å; F67-F69 HydrophobicContact CD1-CG 4.1Å; F67-F69 HydrophobicContact CD1-CZ 4.34Å; F67-F69 HydrophobicContact CE1-CD1 4.07Å; F67-F69 HydrophobicContact CE1-CE1 4.44Å; F67-F69 HydrophobicContact CE1-CG 4.37Å; F69-G71 PolarHBondContact O-N 2.74Å; F69-G71 VanDerWaalsContact O-N 3.16Å; F69-G72 PolarHBondContact O-N 3.09Å; F69-S73 WeakPolarHBondContact CB-OG 3.23Å; F69-V74 HydrophobicContact CD2-CB 4.37Å; F69-V74 HydrophobicContact CD2-CG1 3.67Å; F69-V74 HydrophobicContact CE2-CG1 3.51Å
70P61.2Low70.3Confident91 Ų9145.2 Ų45.259%0.59127%0.268SS*.THydrogen-bonded Turntrans-52.4121.5168.5-22.432000110.1
71G54.3Low68.3Low74 Ų7449.4 Ų49.476%0.76329%0.29SS*.THydrogen-bonded Turntrans93.19.7-17600000116.2F69F69-G71 PolarHBondContact O-N 2.74Å; F69-G71 VanDerWaalsContact O-N 3.16Å
72G49.4Very low66.3Low38 Ų3854.7 Ų54.739%0.39231%0.305SS..SBendtrans77.519.4173.100000114.9F69 V74 A75F69-G72 PolarHBondContact O-N 3.09Å; G72-V74 PolarHBondContact O-N 2.78Å; G72-A75 WeakPolarHBondContact O-CB 3.43Å; G72-A75 PolarHBondContact O-N 2.86Å
73S45.3Very low63.8Low31 Ų3157.8 Ų57.822%0.21734%0.338CS..THydrogen-bonded Turntrans-9518.4-154.265.60000118.1F69 A75 N76 L77F69-S73 WeakPolarHBondContact CB-OG 3.23Å; S73-A75 PolarHBondContact O-N 3.16Å; S73-N76 PolarHBondContact O-N 2.76Å; S73-L77 WeakPolarHBondContact O-CB 3.49Å; S73-L77 PolarHBondContact O-N 3.13Å
74V50.1Low61.3Low21 Ų2160.7 Ų60.713%0.12736%0.355CS..Hα-helixtrans-62.5-31.9150.5-89.20000109.2F69 G72 L78F69-V74 HydrophobicContact CD2-CB 4.37Å; F69-V74 HydrophobicContact CD2-CG1 3.67Å; F69-V74 HydrophobicContact CE2-CG1 3.51Å; G72-V74 PolarHBondContact O-N 2.78Å; V74-L78 WeakPolarHBondContact O-CB 3.28Å; V74-L78 WeakPolarHBondContact O-CD1 3.21Å; V74-L78 WeakPolarHBondContact O-CG 3.13Å; V74-L78 PolarHBondContact O-N 3.47Å
75A48.1Very low58.7Low16 Ų1669.7 Ų69.713%0.13239%0.394CS..Hα-helixtrans-61.1-47.3169.900000111G72 S73 L78 I79G72-A75 WeakPolarHBondContact O-CB 3.43Å; G72-A75 PolarHBondContact O-N 2.86Å; S73-A75 PolarHBondContact O-N 3.16Å; A75-L78 PolarHBondContact O-N 3.19Å; A75-I79 VanDerWaalsContact O-CB 3.27Å; A75-I79 WeakPolarHBondContact O-CB 3.22Å; A75-I79 VanDerWaalsContact O-CD1 3.28Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 WeakPolarHBondContact O-CG1 3.09Å; A75-I79 PolarHBondContact O-N 3.44Å
76N44.8Very low56.1Low93 Ų9375.2 Ų75.250%0.49742%0.42SS..Hα-helixtrans-72-33.6-179.5-61.2-24000113.3S73 I79 F80S73-N76 PolarHBondContact O-N 2.76Å; N76-I79 PolarHBondContact O-N 3.5Å; N76-F80 WeakPolarHBondContact O-CB 3.28Å; N76-F80 PolarHBondContact O-N 3.35Å
77L50.9Low53.7Low78 Ų7879 Ų7941%0.40845%0.445SS..Hα-helixtrans-69.4-40.6173.7-171.569.8000110.9S73 F80 L81S73-L77 WeakPolarHBondContact O-CB 3.49Å; S73-L77 PolarHBondContact O-N 3.13Å; L77-F80 PolarHBondContact O-N 2.8Å; L77-L81 HydrophobicContact CD1-CD1 4.21Å; L77-L81 HydrophobicContact CD1-CG 4.38Å; L77-L81 HydrophobicContact CD2-CD1 4.39Å; L77-L81 HydrophobicContact CG-CD1 3.87Å; L77-L81 HydrophobicContact CG-CG 4.36Å; L77-L81 VanDerWaalsContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CB 3.03Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 2.85Å
78L48.7Very low51.9Low30 Ų3078.6 Ų78.616%0.15745%0.449CS..Hα-helixtrans-69.5-34173.1-67.9171.8000112.1V74 A75 F80 Y82V74-L78 WeakPolarHBondContact O-CB 3.28Å; V74-L78 WeakPolarHBondContact O-CD1 3.21Å; V74-L78 WeakPolarHBondContact O-CG 3.13Å; V74-L78 PolarHBondContact O-N 3.47Å; A75-L78 PolarHBondContact O-N 3.19Å; L78-F80 VanDerWaalsContact C-N 3.35Å; L78-Y82 HydrophobicContact CD2-CD2 3.7Å; L78-Y82 HydrophobicContact CD2-CE2 3.73Å; L78-Y82 WeakPolarHBondContact O-CA 3.38Å; L78-Y82 VanDerWaalsContact O-CB 3.28Å; L78-Y82 WeakPolarHBondContact O-CB 3.35Å; L78-Y82 PolarHBondContact O-N 3.09Å
79I49.7Very low50.6Low59 Ų5980.6 Ų80.630%0.30347%0.467SS..Hα-helixtrans-63.4-42.9169.2-71.7160.3000110A75 N76 G83 T84 K85A75-I79 VanDerWaalsContact O-CB 3.27Å; A75-I79 WeakPolarHBondContact O-CB 3.22Å; A75-I79 VanDerWaalsContact O-CD1 3.28Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 WeakPolarHBondContact O-CG1 3.09Å; A75-I79 PolarHBondContact O-N 3.44Å; N76-I79 PolarHBondContact O-N 3.5Å; I79-G83 WeakPolarHBondContact O-CA 3.1Å; I79-G83 PolarHBondContact O-N 3.26Å; I79-T84 WeakPolarHBondContact CG1-O 3.17Å; I79-K85 HydrophobicContact CD1-CB 4.48Å; I79-K85 HydrophobicContact CD1-CG 4.1Å; I79-K85 HydrophobicContact CG1-CG 4.35Å
80F45.2Very low50.4Low179 Ų17982.7 Ų82.779%0.78548%0.481SS*.Hα-helixtrans-70.2-38.9-178.8-169.3-95.7000112.3N76 L77 L78N76-F80 WeakPolarHBondContact O-CB 3.28Å; N76-F80 PolarHBondContact O-N 3.35Å; L77-F80 PolarHBondContact O-N 2.8Å; L78-F80 VanDerWaalsContact C-N 3.35Å
81L55.2Low51.7Low105 Ų10579.6 Ų79.655%0.5546%0.46SS..Hα-helixtrans-84.7-33.6-179.2-66.9175.1000113.4L77L77-L81 HydrophobicContact CD1-CD1 4.21Å; L77-L81 HydrophobicContact CD1-CG 4.38Å; L77-L81 HydrophobicContact CD2-CD1 4.39Å; L77-L81 HydrophobicContact CG-CD1 3.87Å; L77-L81 HydrophobicContact CG-CG 4.36Å; L77-L81 VanDerWaalsContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CB 3.03Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 2.85Å
82Y54.9Low53.6Low155 Ų15582.1 Ų82.161%0.60845%0.452SS*.Hα-helixtrans-125.7-1.4-170.8-59.7-79.4000114.8L78 T84L78-Y82 HydrophobicContact CD2-CD2 3.7Å; L78-Y82 HydrophobicContact CD2-CE2 3.73Å; L78-Y82 WeakPolarHBondContact O-CA 3.38Å; L78-Y82 VanDerWaalsContact O-CB 3.28Å; L78-Y82 WeakPolarHBondContact O-CB 3.35Å; L78-Y82 PolarHBondContact O-N 3.09Å; Y82-T84 PolarHBondContact O-N 3.05Å; Y82-T84 VanDerWaalsContact O-N 3.13Å
83G45.9Very low55.8Low66 Ų6680.4 Ų80.468%0.6843%0.434SS*.  trans68.96.9177.300000115.4I79I79-G83 WeakPolarHBondContact O-CA 3.1Å; I79-G83 PolarHBondContact O-N 3.26Å
84T43.8Very low58.2Low62 Ų6279.7 Ų79.738%0.3843%0.429SS..  trans-105.4123.9-17761.80000111.8I79 Y82 Q86I79-T84 WeakPolarHBondContact CG1-O 3.17Å; Y82-T84 PolarHBondContact O-N 3.05Å; Y82-T84 VanDerWaalsContact O-N 3.13Å; T84-Q86 PolarHBondContact O-N 3.05Å
85K41.9Very low60.3Low189 Ų18980.9 Ų80.982%0.82244%0.441SS*.  trans-69.658.1163-67.9-175-179.5-179.90110.5I79I79-K85 HydrophobicContact CD1-CB 4.48Å; I79-K85 HydrophobicContact CD1-CG 4.1Å; I79-K85 HydrophobicContact CG1-CG 4.35Å
86Q41.5Very low62.7Low116 Ų11681.7 Ų81.754%0.54245%0.446SS..  trans-79.5127.1165.5-68.1-62.4-14.600106.5T84 S88T84-Q86 PolarHBondContact O-N 3.05Å; Q86-S88 PolarHBondContact O-N 2.95Å
87P43.4Very low65.2Low91 Ų9177.3 Ų77.359%0.59142%0.422SS*.  trans-50132.9165.522.2-29.5000106.2A89P87-A89 WeakPolarHBondContact O-CA 3.27Å; P87-A89 PolarHBondContact O-N 3.49Å
88S51.8Low67.4Low43 Ų4377.9 Ų77.930%0.30142%0.422SS..  trans-24.9105170.250.80000109Q86 I90Q86-S88 PolarHBondContact O-N 2.95Å; S88-I90 WeakPolarHBondContact O-CG1 3.44Å; S88-I90 PolarHBondContact O-N 3.21Å
89A60.5Low69.7Low73 Ų7380.5 Ų80.560%0.60344%0.436SS*.  trans-54.8104.3-164.100000108.3P87 T91P87-A89 WeakPolarHBondContact O-CA 3.27Å; P87-A89 PolarHBondContact O-N 3.49Å; A89-T91 PolarHBondContact O-N 2.83Å; A89-T91 VanDerWaalsContact O-N 3.09Å
90I72.4Confident71.9Confident126 Ų12677.7 Ų77.765%0.64642%0.422SS*.  trans-67.9117.9-173.8-62.3176.8000104.4S88 A95S88-I90 WeakPolarHBondContact O-CG1 3.44Å; S88-I90 PolarHBondContact O-N 3.21Å; I90-A95 HydrophobicContact CG2-CB 4.36Å
91T87.2Confident74.4Confident26 Ų2669.1 Ų69.116%0.1638%0.384CS..  trans-85.2156.3-179.765.40000110.3P66 A89 A93 T94 A95 W142P66-T91 VanDerWaalsContact CD-OG1 3.23Å; P66-T91 WeakPolarHBondContact CD-OG1 3.25Å; P66-T91 HydrophobicContact CG-CG2 3.46Å; P66-T91 VanDerWaalsContact CG-CG2 3.46Å; P66-T91 WeakPolarHBondContact CG-OG1 3.43Å; A89-T91 PolarHBondContact O-N 2.83Å; A89-T91 VanDerWaalsContact O-N 3.09Å; T91-A93 PolarHBondContact O-N 3.06Å; T91-A93 VanDerWaalsContact O-N 3.14Å; T91-T94 PolarHBondContact O-N 3.23Å; T91-T94 VanDerWaalsContact O-N 3.08Å; T91-T94 PolarHBondContact OG1-N 3.28Å; T91-T94 PolarHBondContact OG1-OG1 3.01Å; T91-A95 PolarHBondContact O-N 3.42Å; T91-W142 HydrophobicContact CG2-CH2 4.34Å; T91-W142 HydrophobicContact CG2-CZ3 4.02Å
92E94.4Very high76.3Confident128 Ų12865.5 Ų65.560%0.59837%0.368SS*.Hα-helixtrans-47.9-39.2170.7-177.4-167.716200111.7A95 S96E92-A95 PolarHBondContact O-N 2.86Å; E92-S96 VanDerWaalsContact O-CB 3.22Å; E92-S96 WeakPolarHBondContact O-CB 3.19Å; E92-S96 PolarHBondContact O-N 3.18Å; E92-S96 PolarHBondContact O-OG 3.15Å
93A96.4Very high78.2Confident2 Ų265 Ų652%0.01737%0.371CS..Hα-helixtrans-63.1-45.9179.900000112.7F35 V58 I65 T91 L97F35-A93 HydrophobicContact CD1-CB 4.2Å; F35-A93 HydrophobicContact CE1-CB 3.79Å; F35-A93 WeakPolarHBondContact CE1-O 3.32Å; V58-A93 HydrophobicContact CG1-CB 4.19Å; I65-A93 HydrophobicContact CG1-CB 4.15Å; I65-A93 HydrophobicContact CG2-CB 4.48Å; T91-A93 PolarHBondContact O-N 3.06Å; T91-A93 VanDerWaalsContact O-N 3.14Å; A93-L97 WeakPolarHBondContact O-CB 3.45Å; A93-L97 PolarHBondContact O-N 3.28Å
94T94.9Very high80.5Confident16 Ų1664.1 Ų64.110%0.09835%0.354CS..Hα-helixtrans-67.7-41.5177.7-510000111.8T91 L97 Q98 F207T91-T94 PolarHBondContact O-N 3.23Å; T91-T94 VanDerWaalsContact O-N 3.08Å; T91-T94 PolarHBondContact OG1-N 3.28Å; T91-T94 PolarHBondContact OG1-OG1 3.01Å; T94-L97 WeakPolarHBondContact O-CB 3.38Å; T94-L97 PolarHBondContact O-N 3.16Å; T94-Q98 PolarHBondContact O-N 3.01Å; T94-Q98 VanDerWaalsContact O-N 3.13Å; T94-F207 HydrophobicContact CG2-CE1 4.04Å; T94-F207 HydrophobicContact CG2-CZ 4.03Å
95A95.7Very high83Confident46 Ų4669 Ų6938%0.3837%0.37SS..Hα-helixtrans-64.7-42.1177.500000111.9I90 T91 E92 Q98 L99I90-A95 HydrophobicContact CG2-CB 4.36Å; T91-A95 PolarHBondContact O-N 3.42Å; E92-A95 PolarHBondContact O-N 2.86Å; A95-Q98 PolarHBondContact O-N 3.11Å; A95-L99 PolarHBondContact O-N 2.88Å
96S97.9Very high85.6Confident33 Ų3360 Ų6023%0.23133%0.331CS..Hα-helixtrans-66.2-38.4177.6-59.20000112.1I33 E92 L99 A100I33-S96 WeakPolarHBondContact CD1-O 3.39Å; E92-S96 VanDerWaalsContact O-CB 3.22Å; E92-S96 WeakPolarHBondContact O-CB 3.19Å; E92-S96 PolarHBondContact O-N 3.18Å; E92-S96 PolarHBondContact O-OG 3.15Å; S96-L99 PolarHBondContact O-N 2.88Å; S96-A100 WeakPolarHBondContact O-CB 3.35Å; S96-A100 PolarHBondContact O-N 3Å
97L97.4Very high88.2Confident0 Ų056.1 Ų56.10%032%0.316CS..Hα-helixtrans-57.5-48.2172.7-177.965000111.3F35 A93 T94 A100 C101 V109 I202 F207 M208F35-L97 HydrophobicContact CE2-CD1 4.1Å; F35-L97 HydrophobicContact CZ-CB 3.96Å; F35-L97 HydrophobicContact CZ-CD1 4.26Å; A93-L97 WeakPolarHBondContact O-CB 3.45Å; A93-L97 PolarHBondContact O-N 3.28Å; T94-L97 WeakPolarHBondContact O-CB 3.38Å; T94-L97 PolarHBondContact O-N 3.16Å; L97-A100 PolarHBondContact O-N 2.8Å; L97-C101 WeakPolarHBondContact O-CB 3.31Å; L97-C101 PolarHBondContact O-N 3.03Å; L97-V109 HydrophobicContact CD1-CG1 3.91Å; L97-V109 HydrophobicContact CD1-CG2 4.29Å; L97-I202 HydrophobicContact CD1-CG2 4.26Å; L97-I202 HydrophobicContact CD2-CB 4.48Å; L97-I202 HydrophobicContact CD2-CG1 4.28Å; L97-I202 HydrophobicContact CD2-CG2 3.96Å; L97-F207 HydrophobicContact CD2-CE2 3.97Å; L97-F207 HydrophobicContact CD2-CZ 3.99Å; L97-F207 HydrophobicContact CG-CE2 4.02Å; L97-F207 HydrophobicContact CG-CZ 4.37Å; L97-M208 HydrophobicContact CD1-CE 4.24Å; L97-M208 HydrophobicContact CD1-SD 4.08Å; L97-M208 HydrophobicContact CD2-CG 3.89Å; L97-M208 HydrophobicContact CD2-SD 4.11Å; L97-M208 HydrophobicContact CG-CG 4.33Å; L97-M208 HydrophobicContact CG-SD 3.88Å
98Q95.8Very high90.7Very high90 Ų9054.6 Ų54.642%0.42130%0.301SS..Hα-helixtrans-64-43.2178.7-170.9176.417.300111.6T94 A95 C102 E103 F207T94-Q98 PolarHBondContact O-N 3.01Å; T94-Q98 VanDerWaalsContact O-N 3.13Å; A95-Q98 PolarHBondContact O-N 3.11Å; Q98-C102 HydrophobicContact CG-CB 4.16Å; Q98-C102 WeakPolarHBondContact O-CA 3.32Å; Q98-C102 WeakPolarHBondContact O-CB 3.2Å; Q98-C102 PolarHBondContact O-N 2.81Å; Q98-E103 PolarHBondContact O-N 2.84Å; Q98-F207 HydrophobicContact CB-CD2 4.34Å; Q98-F207 HydrophobicContact CB-CE2 3.97Å; Q98-F207 HydrophobicContact CB-CZ 4.18Å; Q98-F207 HydrophobicContact CG-CD2 4.32Å; Q98-F207 HydrophobicContact CG-CE2 4.43Å
99L97Very high92.9Very high85 Ų8552.6 Ų52.645%0.44529%0.286SS..Iπ-helixtrans-61.1-46.1176.7-178.1148.6000111.9Y56 A95 S96 E103 S104Y56-L99 HydrophobicContact CD1-CD2 4.4Å; Y56-L99 HydrophobicContact CE1-CD2 3.86Å; Y56-L99 HydrophobicContact CE2-CD2 4.43Å; A95-L99 PolarHBondContact O-N 2.88Å; S96-L99 PolarHBondContact O-N 2.88Å; L99-E103 VanDerWaalsContact O-CB 3.32Å; L99-E103 WeakPolarHBondContact O-CB 3.35Å; L99-E103 PolarHBondContact O-N 2.83Å; L99-S104 PolarHBondContact O-N 3.09Å; L99-S104 PolarHBondContact O-OG 3.3Å
100A97.4Very high94.7Very high0 Ų050.3 Ų50.30%026%0.264CS..Iπ-helixtrans-68.2-49.7-178.900000111.9I33 Y56 S96 L97 S104 K105 V106I33-A100 HydrophobicContact CB-CB 3.77Å; I33-A100 HydrophobicContact CD1-CB 3.65Å; I33-A100 HydrophobicContact CG1-CB 4.24Å; I33-A100 HydrophobicContact CG2-CB 4.02Å; Y56-A100 HydrophobicContact CD2-CB 3.7Å; Y56-A100 HydrophobicContact CE2-CB 4.16Å; Y56-A100 HydrophobicContact CG-CB 4.37Å; S96-A100 WeakPolarHBondContact O-CB 3.35Å; S96-A100 PolarHBondContact O-N 3Å; L97-A100 PolarHBondContact O-N 2.8Å; A100-S104 CarbonylContact O-C 3.56Å; A100-S104 VanDerWaalsContact O-C 3.29Å; A100-S104 WeakPolarHBondContact O-CA 3.1Å; A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.44Å; A100-S104 PolarHBondContact O-N 3.07Å; A100-K105 PolarHBondContact O-N 2.62Å; A100-V106 HydrophobicContact CB-CB 4.28Å; A100-V106 HydrophobicContact CB-CG2 4.2Å; A100-V106 WeakPolarHBondContact O-CB 3.37Å; A100-V106 WeakPolarHBondContact O-CG2 3.19Å; A100-V106 PolarHBondContact O-N 3.45Å
101C96.9Very high95.9Very high0 Ų044.3 Ų44.30%023%0.233CC..Iπ-helixtrans-84-40.5-172.8-62.80000113.3L97 K105 V109 M208 F211L97-C101 WeakPolarHBondContact O-CB 3.31Å; L97-C101 PolarHBondContact O-N 3.03Å; C101-K105 WeakPolarHBondContact O-CA 3.34Å; C101-K105 PolarHBondContact O-N 3Å; C101-V109 VanDerWaalsContact SG-CG2 3.56Å; C101-M208 HydrophobicContact CB-CE 3.99Å; C101-M208 HydrophobicContact CB-SD 3.83Å; C101-F211 VanDerWaalsContact O-CE1 3.32Å; C101-F211 WeakPolarHBondContact O-CE1 3.44Å
102C94.7Very high96.4Very high29 Ų2943.1 Ų43.120%0.19623%0.226CC..Iπ-helixtrans-85.9-46.8-176.5-55.80000112.4Q98 F211Q98-C102 HydrophobicContact CG-CB 4.16Å; Q98-C102 WeakPolarHBondContact O-CA 3.32Å; Q98-C102 WeakPolarHBondContact O-CB 3.2Å; Q98-C102 PolarHBondContact O-N 2.81Å; C102-F211 HydrophobicContact CB-CZ 4.44Å
103E94.6Very high96.6Very high145 Ų14537.1 Ų37.168%0.67820%0.198SC*.Iπ-helixtrans-84.7-45.3-176.8-52.5-57.9137.700111.6Q98 L99Q98-E103 PolarHBondContact O-N 2.84Å; L99-E103 VanDerWaalsContact O-CB 3.32Å; L99-E103 WeakPolarHBondContact O-CB 3.35Å; L99-E103 PolarHBondContact O-N 2.83Å
104S94.7Very high96.6Very high47 Ų4737 Ų3733%0.32920%0.198SC..SBendtrans-94.5-8.2-176.3-530000114.4Y56 L99 A100 V106Y56-S104 PolarHBondContact OH-OG 2.81Å; L99-S104 PolarHBondContact O-N 3.09Å; L99-S104 PolarHBondContact O-OG 3.3Å; A100-S104 CarbonylContact O-C 3.56Å; A100-S104 VanDerWaalsContact O-C 3.29Å; A100-S104 WeakPolarHBondContact O-CA 3.1Å; A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.44Å; A100-S104 PolarHBondContact O-N 3.07Å; S104-V106 PolarHBondContact O-N 3.2Å
105K95.9Very high96.7Very high163 Ų16336.5 Ų36.571%0.70920%0.195SC*.  trans5336.7179.2-56.4176.5-175.2171.50114A100 C101A100-K105 PolarHBondContact O-N 2.62Å; C101-K105 WeakPolarHBondContact O-CA 3.34Å; C101-K105 PolarHBondContact O-N 3Å
106V96.6Very high96.8Very high2 Ų237.8 Ų37.81%0.01220%0.195CC..  trans-66.4124.5175.9174.20000109.7P30 Q31 Y56 A100 S104P30-V106 HydrophobicContact CB-CG2 4.11Å; Q31-V106 VanDerWaalsContact C-CG1 3.47Å; Q31-V106 WeakPolarHBondContact O-CG1 3.47Å; Y56-V106 HydrophobicContact CD2-CG2 3.93Å; Y56-V106 HydrophobicContact CE2-CG2 3.75Å; A100-V106 HydrophobicContact CB-CB 4.28Å; A100-V106 HydrophobicContact CB-CG2 4.2Å; A100-V106 WeakPolarHBondContact O-CB 3.37Å; A100-V106 WeakPolarHBondContact O-CG2 3.19Å; A100-V106 PolarHBondContact O-N 3.45Å; S104-V106 PolarHBondContact O-N 3.2Å
107P96.2Very high96.8Very high33 Ų3336.4 Ų36.421%0.21419%0.185CC..  trans-78.6-35.2-176.328.7-33.7000113.2Q31 A217 F218Q31-P107 VanDerWaalsContact O-CD 3.31Å; Q31-P107 WeakPolarHBondContact O-CD 3.26Å; P107-A217 CarbonylContact O-C 3.51Å; P107-A217 WeakPolarHBondContact O-CA 3.2Å; P107-F218 PolarHBondContact O-N 2.75Å
108E97Very high96.8Very high60 Ų6043.3 Ų43.328%0.2822%0.215SC..EExtended strand (participates in β ladder)trans-96.3122.2-172.3-50.7-54.6158.100112.2Q31 A32 I33 I110 H220Q31-E108 VanDerWaalsContact O-CB 3.32Å; Q31-E108 WeakPolarHBondContact O-CB 3.49Å; Q31-E108 WeakPolarHBondContact O-CG 3.46Å; Q31-E108 PolarHBondContact O-N 2.83Å; Q31-E108 VanDerWaalsContact O-N 3.11Å; A32-E108 CarbonylContact C-O 3.57Å; A32-E108 WeakPolarHBondContact CA-O 3.31Å; A32-E108 HydrophobicContact CB-CB 3.79Å; I33-E108 PolarHBondContact N-O 3.3Å; E108-I110 HydrophobicContact CB-CD1 4.37Å; E108-I110 HydrophobicContact CB-CG1 4.3Å; E108-H220 IonicContact OE2-CD2 2.79Å; E108-H220 PolarHBondContact OE2-CD2 3.08Å; E108-H220 IonicContact OE2-NE2 2.72Å; E108-H220 PolarHBondContact OE2-NE2 3.12Å
109V98.1Very high96.8Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-114.1110.3173.5-1750000108.9I33 F35 L97 C101 I202 M208 F218 L219 H220I33-V109 HydrophobicContact CG2-CB 4.18Å; I33-V109 HydrophobicContact CG2-CG1 4.01Å; I33-V109 HydrophobicContact CG2-CG2 3.92Å; F35-V109 HydrophobicContact CD2-CG1 4.4Å; F35-V109 HydrophobicContact CE2-CG1 4.07Å; L97-V109 HydrophobicContact CD1-CG1 3.91Å; L97-V109 HydrophobicContact CD1-CG2 4.29Å; C101-V109 VanDerWaalsContact SG-CG2 3.56Å; V109-I202 HydrophobicContact CG1-CD1 3.78Å; V109-I202 HydrophobicContact CG1-CG2 4.39Å; V109-M208 HydrophobicContact CG2-CE 4.41Å; V109-F218 PolarHBondContact N-O 3.34Å; V109-L219 HydrophobicContact CB-CD2 3.66Å; V109-L219 HydrophobicContact CG1-CD2 3.94Å; V109-L219 HydrophobicContact CG2-CD2 4.16Å; V109-H220 PolarHBondContact O-N 3.15Å
110I97.7Very high96.9Very high25 Ų2535.3 Ų35.313%0.12818%0.176CC..EExtended strand (participates in β ladder)trans-118.6119.3-168.9-48.4-178.9000110.1A32 I33 L34 F35 E108 H220 L222A32-I110 HydrophobicContact CB-CD1 4.06Å; A32-I110 HydrophobicContact CB-CG1 4.5Å; I33-I110 PolarHBondContact O-N 3.08Å; L34-I110 CarbonylContact C-O 3.53Å; L34-I110 WeakPolarHBondContact CA-O 3.45Å; L34-I110 HydrophobicContact CD2-CB 3.82Å; L34-I110 HydrophobicContact CD2-CD1 3.86Å; L34-I110 HydrophobicContact CD2-CG1 4.18Å; L34-I110 HydrophobicContact CD2-CG2 4.43Å; F35-I110 PolarHBondContact N-O 3.22Å; E108-I110 HydrophobicContact CB-CD1 4.37Å; E108-I110 HydrophobicContact CB-CG1 4.3Å; I110-H220 WeakPolarHBondContact CA-O 3.48Å; I110-H220 HydrophobicContact CG1-CB 4.28Å; I110-H220 HydrophobicContact CG2-CB 4.38Å; I110-L222 HydrophobicContact CG2-CD1 3.71Å; I110-L222 HydrophobicContact CG2-CG 3.83Å
111V98.2Very high96.8Very high0 Ų041.3 Ų41.30%020%0.202CC..EExtended strand (participates in β ladder)trans-94.2127.8169.1-175.90000108.7F35 N63 I65 C195 Q198 L199 I202 H220 A221 L222F35-V111 HydrophobicContact CB-CG2 4.43Å; N63-V111 VanDerWaalsContact ND2-CG1 3.28Å; N63-V111 WeakPolarHBondContact ND2-CG1 3.41Å; I65-V111 HydrophobicContact CD1-CG2 4.15Å; V111-C195 PolarHBondContact O-SG 3.23Å; V111-Q198 HydrophobicContact CB-CB 4.32Å; V111-Q198 HydrophobicContact CG1-CB 3.77Å; V111-Q198 HydrophobicContact CG1-CG 3.91Å; V111-Q198 HydrophobicContact CG2-CB 3.76Å; V111-L199 HydrophobicContact CB-CD2 4.2Å; V111-L199 HydrophobicContact CG2-CD2 3.76Å; V111-I202 HydrophobicContact CG2-CD1 3.68Å; V111-H220 PolarHBondContact N-O 3.28Å; V111-A221 WeakPolarHBondContact O-CA 3.49Å; V111-L222 PolarHBondContact O-N 3.23Å
112C97.1Very high96.7Very high2 Ų243.4 Ų43.41%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-11899.1-178-60.40000110.3F35 C36 F42 T44 L222F35-C112 PolarHBondContact O-N 2.72Å; C36-C112 HydrophobicContact CB-CB 4.48Å; F42-C112 HydrophobicContact CE1-CB 3.7Å; F42-C112 HydrophobicContact CZ-CB 3.77Å; T44-C112 HydrophobicContact CG2-CB 4.24Å; C112-L222 WeakPolarHBondContact CA-O 3.37Å
113G97.6Very high96.8Very high1 Ų142.1 Ų42.11%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-85.3171.8168.500000112.1L222 W223 L224G113-L222 PolarHBondContact N-O 2.96Å; G113-W223 WeakPolarHBondContact O-CA 3.33Å; G113-L224 PolarHBondContact O-N 2.91Å
114H97.5Very high96.8Very high1 Ų137.2 Ų37.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-155.2158.8176.265.488.1000112.3C37 D39 C117 S191 L224 F226C37-H114 VanDerWaalsContact CB-CD2 3.44Å; C37-H114 WeakPolarHBondContact CB-CD2 3.15Å; C37-H114 WeakPolarHBondContact CB-NE2 3.41Å; C37-H114 PolarHBondContact SG-NE2 2.91Å; D39-H114 IonicContact OD2-CE1 3.59Å; H114-C117 VanDerWaalsContact CE1-CA 3.48Å; H114-C117 WeakPolarHBondContact CE1-CA 3.24Å; H114-S191 WeakPolarHBondContact O-CB 3.12Å; H114-S191 PolarHBondContact O-OG 3.46Å; H114-L224 CarbonylContact C-O 3.56Å; H114-L224 WeakPolarHBondContact CA-O 3.33Å; H114-L224 HydrophobicContact CB-CB 4.23Å; H114-F226 HydrophobicContact CB-CE2 4.17Å; H114-F226 HydrophobicContact CB-CZ 4.23Å; H114-F226 AromaticContact CE1-CE2 3.84Å; H114-F226 AromaticContact CG-CE2 3.86Å; H114-F226 AromaticContact ND1-CD2 3.97Å; H114-F226 AromaticContact ND1-CE2 3.22Å; H114-F226 WeakPolarHBondContact ND1-CE2 3.49Å; H114-F226 AromaticContact ND1-CZ 3.87Å
115S97.5Very high96.6Very high5 Ų536.1 Ų36.14%0.03517%0.172CC..SBendtrans-69160172.573.80000112C117 D188 L224 N225 F226S115-C117 PolarHBondContact O-N 2.92Å; S115-D188 WeakPolarHBondContact CA-OD1 3.45Å; S115-D188 WeakPolarHBondContact CB-OD1 3.19Å; S115-L224 PolarHBondContact N-O 2.86Å; S115-N225 PolarHBondContact OG-OD1 3.01Å; S115-N225 VanDerWaalsContact OG-OD1 3.08Å; S115-F226 WeakPolarHBondContact O-CD2 3.45Å; S115-F226 PolarHBondContact OG-N 3.01Å
116D96.6Very high96Very high72 Ų7229.4 Ų29.439%0.38514%0.144SC..SBendtrans5340.6-178.3-177.545.8000113R41 K118 D188R41-D116 IonicContact CZ-OD2 3.65Å; R41-D116 VanDerWaalsContact CZ-OD2 3.3Å; R41-D116 IonicContact NH1-OD2 3.57Å; R41-D116 PolarHBondContact NH1-OD2 3.37Å; R41-D116 PolarHBondContact NH2-O 2.7Å; R41-D116 IonicContact NH2-OD2 2.84Å; R41-D116 PolarHBondContact NH2-OD2 3.37Å; D116-K118 PolarHBondContact O-N 3.3Å; D116-D188 PolarHBondContact N-OD1 3.3Å
117C97.5Very high95.5Very high4 Ų433.3 Ų33.33%0.02716%0.158CC..  trans-75.4116.4179.9179.80000111.7H114 S115 A119 M120 K121H114-C117 VanDerWaalsContact CE1-CA 3.48Å; H114-C117 WeakPolarHBondContact CE1-CA 3.24Å; S115-C117 PolarHBondContact O-N 2.92Å; C117-A119 VanDerWaalsContact C-N 3.27Å; C117-A119 PolarHBondContact O-N 2.88Å; C117-M120 HydrophobicContact CB-CB 3.94Å; C117-M120 HydrophobicContact CB-CG 3.74Å; C117-M120 WeakPolarHBondContact O-CB 3.35Å; C117-M120 PolarHBondContact O-N 3.11Å; C117-K121 PolarHBondContact O-N 2.95Å
118K97.2Very high94.9Very high146 Ų14635.6 Ų35.664%0.63517%0.169SC*.Hα-helixtrans-59.4-35.1179.6-66-179.8-178.7176.20113.6D116 K121 L122D116-K118 PolarHBondContact O-N 3.3Å; K118-K121 PolarHBondContact O-N 3.06Å; K118-L122 PolarHBondContact O-N 2.72Å; K118-L122 VanDerWaalsContact O-N 3.1Å
119A97.5Very high94Very high5 Ų537.7 Ų37.74%0.04118%0.179CC..Hα-helixtrans-66.6-41.217500000111.1P61 C117 L122 L123 L143P61-A119 HydrophobicContact CB-CB 4.28Å; C117-A119 VanDerWaalsContact C-N 3.27Å; C117-A119 PolarHBondContact O-N 2.88Å; A119-L122 PolarHBondContact O-N 3.28Å; A119-L123 WeakPolarHBondContact O-CB 3.36Å; A119-L123 PolarHBondContact O-N 2.8Å; A119-L143 HydrophobicContact CB-CD2 4.22Å; A119-L143 WeakPolarHBondContact O-CD1 3.22Å
120M97.8Very high92.3Very high1 Ų147.8 Ų47.81%0.00522%0.222CC..Hα-helixtrans-69.4-36.3176.6-62.7-61.199.800112C117 L122 L123 W124 L190 N194C117-M120 HydrophobicContact CB-CB 3.94Å; C117-M120 HydrophobicContact CB-CG 3.74Å; C117-M120 WeakPolarHBondContact O-CB 3.35Å; C117-M120 PolarHBondContact O-N 3.11Å; M120-L122 VanDerWaalsContact C-N 3.31Å; M120-L122 PolarHBondContact O-N 2.81Å; M120-L123 HydrophobicContact CE-CD2 4.01Å; M120-L123 CarbonylContact O-C 3.55Å; M120-L123 PolarHBondContact O-N 3.27Å; M120-L123 HydrophobicContact SD-CD2 4.19Å; M120-W124 VanDerWaalsContact O-CB 3.31Å; M120-W124 WeakPolarHBondContact O-CB 3.42Å; M120-W124 PolarHBondContact O-N 2.82Å; M120-L190 HydrophobicContact CB-CD2 4.21Å; M120-L190 HydrophobicContact SD-CD2 4.31Å; M120-L190 HydrophobicContact SD-CG 4.19Å; M120-N194 HydrophobicContact CE-CB 4.24Å; M120-N194 HydrophobicContact SD-CB 3.48Å; M120-N194 WeakPolarHBondContact SD-CB 3.29Å
121K96.3Very high90.6Very high126 Ų12653.4 Ų53.455%0.54825%0.248SC..Hα-helixtrans-59.4-42.2172.3-174172.9-177.5170.20112.2C117 K118 W124 S125 L187C117-K121 PolarHBondContact O-N 2.95Å; K118-K121 PolarHBondContact O-N 3.06Å; K121-W124 PolarHBondContact O-N 2.75Å; K121-S125 PolarHBondContact O-N 2.91Å; K121-L187 HydrophobicContact CB-CD1 4.33Å; K121-L187 HydrophobicContact CG-CD1 4.2Å
122L95.3Very high89.2Confident45 Ų4562.9 Ų62.924%0.23629%0.292CS..Hα-helixtrans-71.6-37176-172.266.8000111.9K118 A119 M120 W124 S125 L126 W133 L139 L143K118-L122 PolarHBondContact O-N 2.72Å; K118-L122 VanDerWaalsContact O-N 3.1Å; A119-L122 PolarHBondContact O-N 3.28Å; M120-L122 VanDerWaalsContact C-N 3.31Å; M120-L122 PolarHBondContact O-N 2.81Å; L122-W124 VanDerWaalsContact C-N 3.26Å; L122-W124 PolarHBondContact O-N 3.47Å; L122-S125 PolarHBondContact O-N 3.31Å; L122-S125 PolarHBondContact O-OG 3.21Å; L122-L126 PolarHBondContact O-N 3.44Å; L122-W133 HydrophobicContact CD1-CH2 3.4Å; L122-W133 VanDerWaalsContact CD1-CH2 3.4Å; L122-W133 HydrophobicContact CD1-CZ3 3.71Å; L122-W133 HydrophobicContact CD2-CZ3 4.4Å; L122-W133 HydrophobicContact CG-CH2 3.76Å; L122-W133 HydrophobicContact CG-CZ3 3.81Å; L122-W133 VanDerWaalsContact O-CH2 3.3Å; L122-W133 WeakPolarHBondContact O-CH2 3.27Å; L122-L139 HydrophobicContact CD2-CD2 3.39Å; L122-L139 HydrophobicContact CD2-CG 3.55Å; L122-L143 HydrophobicContact CB-CD1 3.79Å; L122-L143 HydrophobicContact CD2-CD1 3.64Å; L122-L143 HydrophobicContact CG-CD1 3.83Å
123L95.1Very high88.2Confident1 Ų165.6 Ų65.61%0.00530%0.302CS..Hα-helixtrans-65.6-29.9172.1-175.862.1000112.7A119 M120 L126 R127 L143 T150 L151 L190A119-L123 WeakPolarHBondContact O-CB 3.36Å; A119-L123 PolarHBondContact O-N 2.8Å; M120-L123 HydrophobicContact CE-CD2 4.01Å; M120-L123 CarbonylContact O-C 3.55Å; M120-L123 PolarHBondContact O-N 3.27Å; M120-L123 HydrophobicContact SD-CD2 4.19Å; L123-L126 HydrophobicContact CD1-CB 4.48Å; L123-L126 HydrophobicContact CD1-CD1 3.81Å; L123-L126 WeakPolarHBondContact O-CB 3.29Å; L123-R127 PolarHBondContact O-N 2.9Å; L123-L143 HydrophobicContact CD1-CB 4.39Å; L123-T150 HydrophobicContact CD2-CG2 4.28Å; L123-L151 HydrophobicContact CD1-CD1 3.71Å; L123-L151 HydrophobicContact CD1-CD2 4.47Å; L123-L151 HydrophobicContact CD1-CG 3.97Å; L123-L151 HydrophobicContact CD2-CG 4.35Å; L123-L151 HydrophobicContact CG-CD1 4.2Å; L123-L151 HydrophobicContact CG-CD2 4.04Å; L123-L151 HydrophobicContact CG-CG 4Å; L123-L190 HydrophobicContact CB-CD2 4.37Å; L123-L190 HydrophobicContact CD2-CD2 4.26Å; L123-L190 HydrophobicContact CG-CD2 4.33Å
124W94.9Very high87.4Confident43 Ų4368 Ų6816%0.16332%0.315CS..Hα-helixtrans-74.3-41.3175.2-173.1-107.4000112.2M120 K121 L122 L126 R127 N128 Y154 E186 L187 L190M120-W124 VanDerWaalsContact O-CB 3.31Å; M120-W124 WeakPolarHBondContact O-CB 3.42Å; M120-W124 PolarHBondContact O-N 2.82Å; K121-W124 PolarHBondContact O-N 2.75Å; L122-W124 VanDerWaalsContact C-N 3.26Å; L122-W124 PolarHBondContact O-N 3.47Å; W124-L126 PolarHBondContact O-N 3.29Å; W124-R127 WeakPolarHBondContact O-CB 3.38Å; W124-R127 PolarHBondContact O-N 2.82Å; W124-R127 VanDerWaalsContact O-N 3.1Å; W124-N128 VanDerWaalsContact CE2-ND2 3.32Å; W124-N128 PolarHBondContact NE1-ND2 2.81Å; W124-N128 PolarHBondContact O-N 3.49Å; W124-Y154 HydrophobicContact CH2-CD1 4.32Å; W124-Y154 AromaticContact CH2-CE1 3.48Å; W124-Y154 HydrophobicContact CH2-CE1 3.48Å; W124-Y154 VanDerWaalsContact CH2-CE1 3.48Å; W124-Y154 HydrophobicContact CH2-CE2 4.14Å; W124-Y154 AromaticContact CH2-CZ 3.39Å; W124-Y154 VanDerWaalsContact CH2-OH 3.31Å; W124-Y154 WeakPolarHBondContact CH2-OH 3.28Å; W124-Y154 AromaticContact CZ3-CD1 3.9Å; W124-Y154 HydrophobicContact CZ3-CD1 3.9Å; W124-Y154 HydrophobicContact CZ3-CD2 4.12Å; W124-Y154 AromaticContact CZ3-CE1 3.47Å; W124-Y154 HydrophobicContact CZ3-CE1 3.47Å; W124-Y154 VanDerWaalsContact CZ3-CE1 3.47Å; W124-Y154 AromaticContact CZ3-CE2 3.72Å; W124-Y154 HydrophobicContact CZ3-CE2 3.72Å; W124-Y154 HydrophobicContact CZ3-CG 4.22Å; W124-Y154 AromaticContact CZ3-CZ 3.39Å; W124-E186 HydrophobicContact CH2-CB 3.77Å; W124-E186 HydrophobicContact CH2-CG 4.11Å; W124-E186 HydrophobicContact CZ2-CB 3.56Å; W124-E186 HydrophobicContact CZ2-CG 3.85Å; W124-E186 HydrophobicContact CZ3-CB 4.38Å; W124-L187 HydrophobicContact CB-CD2 3.43Å; W124-L187 VanDerWaalsContact CB-CD2 3.43Å; W124-L187 HydrophobicContact CD2-CD2 4.2Å; W124-L187 HydrophobicContact CG-CD2 3.47Å; W124-L187 VanDerWaalsContact CG-CD2 3.47Å; W124-L190 HydrophobicContact CB-CD2 4.22Å; W124-L190 HydrophobicContact CE3-CD2 4.07Å
125S91.9Very high86.7Confident23 Ų2371.9 Ų71.916%0.16134%0.342CS..Hα-helixtrans-62.9-32.8172.965.70000111.2K121 L122 R127 N128 E129 W133K121-S125 PolarHBondContact O-N 2.91Å; L122-S125 PolarHBondContact O-N 3.31Å; L122-S125 PolarHBondContact O-OG 3.21Å; S125-R127 VanDerWaalsContact C-N 3.26Å; S125-R127 PolarHBondContact O-N 3.36Å; S125-N128 PolarHBondContact O-N 3.34Å; S125-E129 WeakPolarHBondContact O-CB 3.29Å; S125-E129 PolarHBondContact O-N 3.47Å; S125-W133 WeakPolarHBondContact OG-CH2 3.37Å
126L83.3Confident86.1Confident23 Ų2381.3 Ų81.312%0.1238%0.377CS..Hα-helixtrans-54.4-38.9171.2-99.4172.8000113.5L122 L123 W124 W133 L143 M144L122-L126 PolarHBondContact O-N 3.44Å; L123-L126 HydrophobicContact CD1-CB 4.48Å; L123-L126 HydrophobicContact CD1-CD1 3.81Å; L123-L126 WeakPolarHBondContact O-CB 3.29Å; W124-L126 PolarHBondContact O-N 3.29Å; L126-W133 HydrophobicContact CB-CH2 4.1Å; L126-W133 HydrophobicContact CB-CZ2 3.84Å; L126-W133 HydrophobicContact CD1-CE3 4.17Å; L126-W133 HydrophobicContact CD1-CH2 4.21Å; L126-W133 HydrophobicContact CD1-CZ3 3.93Å; L126-W133 HydrophobicContact CD2-CD2 3.08Å; L126-W133 HydrophobicContact CD2-CE3 3.39Å; L126-W133 HydrophobicContact CD2-CG 3.57Å; L126-W133 HydrophobicContact CD2-CH2 3.92Å; L126-W133 HydrophobicContact CD2-CZ2 3.6Å; L126-W133 HydrophobicContact CD2-CZ3 3.79Å; L126-W133 HydrophobicContact CG-CD2 3.71Å; L126-W133 HydrophobicContact CG-CE3 3.63Å; L126-W133 HydrophobicContact CG-CH2 3.35Å; L126-W133 HydrophobicContact CG-CZ2 3.37Å; L126-W133 HydrophobicContact CG-CZ3 3.44Å; L126-W133 VanDerWaalsContact CG-CZ3 3.44Å; L126-W133 VanDerWaalsContact N-CZ2 3.3Å; L126-L143 HydrophobicContact CD1-CB 3.87Å; L126-M144 HydrophobicContact CD1-CG 4.16Å; L126-M144 HydrophobicContact CD1-SD 4.03Å; L126-M144 HydrophobicContact CD2-CG 3.91Å; L126-M144 HydrophobicContact CD2-SD 3.19Å; L126-M144 WeakPolarHBondContact CD2-SD 3.36Å; L126-M144 HydrophobicContact CG-SD 4.24Å
127R85.4Confident85.8Confident83 Ų8382.6 Ų82.631%0.31338%0.382SS..Hα-helixtrans-74.3-41.2179.2-177.2-175.7176.5-88.912.4112.1L123 W124 S125 L151 E158L123-R127 PolarHBondContact O-N 2.9Å; W124-R127 WeakPolarHBondContact O-CB 3.38Å; W124-R127 PolarHBondContact O-N 2.82Å; W124-R127 VanDerWaalsContact O-N 3.1Å; S125-R127 VanDerWaalsContact C-N 3.26Å; S125-R127 PolarHBondContact O-N 3.36Å; R127-L151 HydrophobicContact CB-CD1 4.4Å; R127-L151 HydrophobicContact CB-CD2 4.07Å; R127-L151 HydrophobicContact CG-CD2 4.49Å; R127-E158 IonicContact CZ-OE2 2.9Å; R127-E158 IonicContact NH2-OE1 2.65Å; R127-E158 PolarHBondContact NH2-OE1 3.15Å; R127-E158 IonicContact NH2-OE2 2.75Å; R127-E158 PolarHBondContact NH2-OE2 2.87Å
128N84Confident85.6Confident81 Ų8187.8 Ų87.843%0.43342%0.415SS..Hα-helixtrans-95.6-28.4-167.4-65-23.7000114.2W124 S125W124-N128 VanDerWaalsContact CE2-ND2 3.32Å; W124-N128 PolarHBondContact NE1-ND2 2.81Å; W124-N128 PolarHBondContact O-N 3.49Å; S125-N128 PolarHBondContact O-N 3.34Å
129E77.4Confident85.4Confident104 Ų10484.3 Ų84.349%0.48640%0.403SS..  trans-96.1122.9-175.7-63.2177.9-16900111S125 H131S125-E129 WeakPolarHBondContact O-CB 3.29Å; S125-E129 PolarHBondContact O-N 3.47Å; E129-H131 PolarHBondContact O-N 2.89Å
130K61.5Low85.1Confident212 Ų21284.8 Ų84.892%0.92241%0.405SS*.  trans-74.70.8177.2-65.9-174.1179.4-178.60114.3
131H62.5Low84.7Confident143 Ų14386.6 Ų86.666%0.66242%0.42SS*.SBendtrans-64.1140.4-178.8-70.7-60.1000110.5E129 W133E129-H131 PolarHBondContact O-N 2.89Å; H131-W133 PolarHBondContact O-N 2.9Å; H131-W133 VanDerWaalsContact O-N 3.15Å
132E70.1Confident84.5Confident199 Ų19983.1 Ų83.193%0.9340%0.404SS*.PPolyproline II helixtrans-62.7116174.1-73.8-175162.300109.5
133W74.6Confident84.4Confident60 Ų6081 Ų8123%0.22739%0.393CS..PPolyproline II helixtrans-72.3132177.4-7767.3000110.4L122 S125 L126 H131 S135 N140L122-W133 HydrophobicContact CD1-CH2 3.4Å; L122-W133 VanDerWaalsContact CD1-CH2 3.4Å; L122-W133 HydrophobicContact CD1-CZ3 3.71Å; L122-W133 HydrophobicContact CD2-CZ3 4.4Å; L122-W133 HydrophobicContact CG-CH2 3.76Å; L122-W133 HydrophobicContact CG-CZ3 3.81Å; L122-W133 VanDerWaalsContact O-CH2 3.3Å; L122-W133 WeakPolarHBondContact O-CH2 3.27Å; S125-W133 WeakPolarHBondContact OG-CH2 3.37Å; L126-W133 HydrophobicContact CB-CH2 4.1Å; L126-W133 HydrophobicContact CB-CZ2 3.84Å; L126-W133 HydrophobicContact CD1-CE3 4.17Å; L126-W133 HydrophobicContact CD1-CH2 4.21Å; L126-W133 HydrophobicContact CD1-CZ3 3.93Å; L126-W133 HydrophobicContact CD2-CD2 3.08Å; L126-W133 HydrophobicContact CD2-CE3 3.39Å; L126-W133 HydrophobicContact CD2-CG 3.57Å; L126-W133 HydrophobicContact CD2-CH2 3.92Å; L126-W133 HydrophobicContact CD2-CZ2 3.6Å; L126-W133 HydrophobicContact CD2-CZ3 3.79Å; L126-W133 HydrophobicContact CG-CD2 3.71Å; L126-W133 HydrophobicContact CG-CE3 3.63Å; L126-W133 HydrophobicContact CG-CH2 3.35Å; L126-W133 HydrophobicContact CG-CZ2 3.37Å; L126-W133 HydrophobicContact CG-CZ3 3.44Å; L126-W133 VanDerWaalsContact CG-CZ3 3.44Å; L126-W133 VanDerWaalsContact N-CZ2 3.3Å; H131-W133 PolarHBondContact O-N 2.9Å; H131-W133 VanDerWaalsContact O-N 3.15Å; W133-S135 PolarHBondContact O-N 3.26Å; W133-N140 HydrophobicContact CE3-CB 3.72Å; W133-N140 HydrophobicContact CZ3-CB 4.19Å; W133-N140 WeakPolarHBondContact CZ3-OD1 3.19Å
134D82.2Confident84Confident50 Ų5086 Ų8627%0.26742%0.417SS..  trans-73.8101.2173.1-169.9-5.1000110.4R136 M137D134-R136 VanDerWaalsContact CG-NE 3.33Å; D134-R136 PolarHBondContact O-N 3.5Å; D134-R136 VanDerWaalsContact O-N 3.16Å; D134-R136 WeakPolarHBondContact OD1-CA 3.24Å; D134-R136 WeakPolarHBondContact OD1-CB 3.3Å; D134-R136 WeakPolarHBondContact OD1-CG 3.35Å; D134-R136 IonicContact OD1-CZ 3.6Å; D134-R136 PolarHBondContact OD1-N 3.1Å; D134-R136 IonicContact OD1-NE 2.78Å; D134-R136 PolarHBondContact OD1-NE 2.85Å; D134-R136 IonicContact OD1-NH2 3.58Å; D134-R136 IonicContact OD2-CZ 3.33Å; D134-R136 IonicContact OD2-NE 3.09Å; D134-R136 PolarHBondContact OD2-NE 3.02Å; D134-R136 VanDerWaalsContact OD2-NE 3.09Å; D134-R136 IonicContact OD2-NH2 2.74Å; D134-R136 PolarHBondContact OD2-NH2 2.78Å; D134-M137 HydrophobicContact CB-CG 3.98Å; D134-M137 HydrophobicContact CB-SD 4.22Å; D134-M137 WeakPolarHBondContact O-CB 3.17Å; D134-M137 PolarHBondContact O-N 2.94Å
135S81.5Confident83.7Confident84 Ų8487.5 Ų87.559%0.58743%0.428SS*.THydrogen-bonded Turntrans-65.3-10.717561.50000113.3W133 M137W133-S135 PolarHBondContact O-N 3.26Å; S135-M137 VanDerWaalsContact C-N 3.28Å
136R86.2Confident83.7Confident203 Ų20387.6 Ų87.677%0.76643%0.426SS*.THydrogen-bonded Turntrans-76.7-17.2171.2-51.9168.2-63.8-173.73.4111.8D134 P138D134-R136 VanDerWaalsContact CG-NE 3.33Å; D134-R136 PolarHBondContact O-N 3.5Å; D134-R136 VanDerWaalsContact O-N 3.16Å; D134-R136 WeakPolarHBondContact OD1-CA 3.24Å; D134-R136 WeakPolarHBondContact OD1-CB 3.3Å; D134-R136 WeakPolarHBondContact OD1-CG 3.35Å; D134-R136 IonicContact OD1-CZ 3.6Å; D134-R136 PolarHBondContact OD1-N 3.1Å; D134-R136 IonicContact OD1-NE 2.78Å; D134-R136 PolarHBondContact OD1-NE 2.85Å; D134-R136 IonicContact OD1-NH2 3.58Å; D134-R136 IonicContact OD2-CZ 3.33Å; D134-R136 IonicContact OD2-NE 3.09Å; D134-R136 PolarHBondContact OD2-NE 3.02Å; D134-R136 VanDerWaalsContact OD2-NE 3.09Å; D134-R136 IonicContact OD2-NH2 2.74Å; D134-R136 PolarHBondContact OD2-NH2 2.78Å; R136-P138 WeakPolarHBondContact O-CD 3.48Å
137M90Very high84.1Confident99 Ų9986.5 Ų86.549%0.48842%0.421SS..SBendtrans-79117.2173.6-66.7-175.971.400109.8D134 S135 L139 N140 A141D134-M137 HydrophobicContact CB-CG 3.98Å; D134-M137 HydrophobicContact CB-SD 4.22Å; D134-M137 WeakPolarHBondContact O-CB 3.17Å; D134-M137 PolarHBondContact O-N 2.94Å; S135-M137 VanDerWaalsContact C-N 3.28Å; M137-L139 VanDerWaalsContact C-N 3.31Å; M137-L139 PolarHBondContact O-N 3.44Å; M137-N140 HydrophobicContact CB-CB 3.98Å; M137-N140 WeakPolarHBondContact O-CB 3.22Å; M137-N140 PolarHBondContact O-N 3.39Å; M137-A141 PolarHBondContact O-N 2.92Å
138P92.4Very high84.4Confident112 Ų11290.5 Ų90.573%0.72744%0.436SS*.Hα-helixtrans-59-37-171.9-28.536.4000114.6R136 W142R136-P138 WeakPolarHBondContact O-CD 3.48Å; P138-W142 VanDerWaalsContact O-CB 3.23Å; P138-W142 WeakPolarHBondContact O-CB 3.2Å; P138-W142 PolarHBondContact O-N 3.34Å
139L92.9Very high84.8Confident73 Ų7388 Ų8838%0.38243%0.426SS..Hα-helixtrans-68.7-37.6178-179.260.7000112P61 L122 M137 W142 L143P61-L139 HydrophobicContact CB-CD1 3.6Å; P61-L139 HydrophobicContact CG-CD1 4.01Å; L122-L139 HydrophobicContact CD2-CD2 3.39Å; L122-L139 HydrophobicContact CD2-CG 3.55Å; M137-L139 VanDerWaalsContact C-N 3.31Å; M137-L139 PolarHBondContact O-N 3.44Å; L139-W142 WeakPolarHBondContact O-CB 3.4Å; L139-W142 PolarHBondContact O-N 3.14Å; L139-L143 HydrophobicContact CD1-CD1 4.11Å; L139-L143 HydrophobicContact CD1-CG 4.18Å; L139-L143 HydrophobicContact CG-CD1 4.25Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.2Å
140N91.4Very high85.8Confident15 Ų1583.1 Ų83.18%0.0840%0.403CS..Hα-helixtrans-66.1-49.4176.4-69.98.7000110.3W133 M137 W142 L143 M144W133-N140 HydrophobicContact CE3-CB 3.72Å; W133-N140 HydrophobicContact CZ3-CB 4.19Å; W133-N140 WeakPolarHBondContact CZ3-OD1 3.19Å; M137-N140 HydrophobicContact CB-CB 3.98Å; M137-N140 WeakPolarHBondContact O-CB 3.22Å; M137-N140 PolarHBondContact O-N 3.39Å; N140-W142 VanDerWaalsContact C-N 3.28Å; N140-W142 PolarHBondContact O-N 2.89Å; N140-L143 PolarHBondContact O-N 2.88Å; N140-M144 VanDerWaalsContact O-CB 3.27Å; N140-M144 WeakPolarHBondContact O-CB 3.45Å; N140-M144 VanDerWaalsContact O-CG 3.29Å; N140-M144 WeakPolarHBondContact O-CG 3.23Å; N140-M144 PolarHBondContact O-N 3.42Å
141A89.8Confident87.4Confident39 Ų3974.2 Ų74.232%0.32237%0.366SS..Hα-helixtrans-58.1-41.8176.100000111.9M137 L145M137-A141 PolarHBondContact O-N 2.92Å; A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 PolarHBondContact O-N 3.43Å; A141-L145 VanDerWaalsContact O-N 3.11Å
142W92.2Very high89Confident53 Ų5371.6 Ų71.620%0.20135%0.354CS..Hα-helixtrans-58.5-54175.3173.7-111.3000112.2P61 I64 P66 T91 P138 L139 N140 L145 Q146P61-W142 PolarHBondContact O-NE1 3.44Å; I64-W142 HydrophobicContact CB-CZ2 3.75Å; I64-W142 HydrophobicContact CG2-CZ2 4.22Å; P66-W142 HydrophobicContact CG-CH2 4.24Å; P66-W142 HydrophobicContact CG-CZ3 4.48Å; T91-W142 HydrophobicContact CG2-CH2 4.34Å; T91-W142 HydrophobicContact CG2-CZ3 4.02Å; P138-W142 VanDerWaalsContact O-CB 3.23Å; P138-W142 WeakPolarHBondContact O-CB 3.2Å; P138-W142 PolarHBondContact O-N 3.34Å; L139-W142 WeakPolarHBondContact O-CB 3.4Å; L139-W142 PolarHBondContact O-N 3.14Å; N140-W142 VanDerWaalsContact C-N 3.28Å; N140-W142 PolarHBondContact O-N 2.89Å; W142-L145 PolarHBondContact O-N 3.06Å; W142-Q146 HydrophobicContact CD2-CG 3.95Å; W142-Q146 HydrophobicContact CE3-CG 3.59Å; W142-Q146 HydrophobicContact CH2-CG 3.93Å; W142-Q146 HydrophobicContact CZ2-CG 4.27Å; W142-Q146 HydrophobicContact CZ3-CG 3.57Å; W142-Q146 WeakPolarHBondContact O-CB 3.28Å; W142-Q146 VanDerWaalsContact O-CG 3.29Å; W142-Q146 WeakPolarHBondContact O-CG 3.23Å; W142-Q146 PolarHBondContact O-N 3.34Å
143L92.9Very high90.3Very high0 Ų063.6 Ų63.60%032%0.316CS..Hα-helixtrans-71.5-34.4-176.5-65.5176.7000112.8I64 A119 L122 L123 L126 L139 N140 L145 G147I64-L143 HydrophobicContact CD1-CD2 3.98Å; A119-L143 HydrophobicContact CB-CD2 4.22Å; A119-L143 WeakPolarHBondContact O-CD1 3.22Å; L122-L143 HydrophobicContact CB-CD1 3.79Å; L122-L143 HydrophobicContact CD2-CD1 3.64Å; L122-L143 HydrophobicContact CG-CD1 3.83Å; L123-L143 HydrophobicContact CD1-CB 4.39Å; L126-L143 HydrophobicContact CD1-CB 3.87Å; L139-L143 HydrophobicContact CD1-CD1 4.11Å; L139-L143 HydrophobicContact CD1-CG 4.18Å; L139-L143 HydrophobicContact CG-CD1 4.25Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.2Å; N140-L143 PolarHBondContact O-N 2.88Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 PolarHBondContact O-N 3.4Å; L143-G147 VanDerWaalsContact O-CA 3.22Å; L143-G147 WeakPolarHBondContact O-CA 3.45Å; L143-G147 PolarHBondContact O-N 3.08Å
144M87.8Confident91.4Very high106 Ų10660.9 Ų60.952%0.52231%0.306SS..Hα-helixtrans-59.7-43.4173.1-83.2-62.9-65.700112.1L126 N140L126-M144 HydrophobicContact CD1-CG 4.16Å; L126-M144 HydrophobicContact CD1-SD 4.03Å; L126-M144 HydrophobicContact CD2-CG 3.91Å; L126-M144 HydrophobicContact CD2-SD 3.19Å; L126-M144 WeakPolarHBondContact CD2-SD 3.36Å; L126-M144 HydrophobicContact CG-SD 4.24Å; N140-M144 VanDerWaalsContact O-CB 3.27Å; N140-M144 WeakPolarHBondContact O-CB 3.45Å; N140-M144 VanDerWaalsContact O-CG 3.29Å; N140-M144 WeakPolarHBondContact O-CG 3.23Å; N140-M144 PolarHBondContact O-N 3.42Å
145L87.9Confident92Very high76 Ų7662.7 Ų62.740%0.39831%0.313SS..Hα-helixtrans-77.4-43.1-177.8-176.259.6000111.9A141 W142 L143A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 PolarHBondContact O-N 3.43Å; A141-L145 VanDerWaalsContact O-N 3.11Å; W142-L145 PolarHBondContact O-N 3.06Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 PolarHBondContact O-N 3.4Å
146Q91.4Very high92.8Very high25 Ų2561.2 Ų61.212%0.11730%0.296CS..Hα-helixtrans-102.5-21.1-167.7-48.4-61-18.300114.3I64 W142I64-Q146 HydrophobicContact CD1-CB 4.19Å; I64-Q146 HydrophobicContact CG2-CB 3.61Å; I64-Q146 HydrophobicContact CG2-CG 4.44Å; W142-Q146 HydrophobicContact CD2-CG 3.95Å; W142-Q146 HydrophobicContact CE3-CG 3.59Å; W142-Q146 HydrophobicContact CH2-CG 3.93Å; W142-Q146 HydrophobicContact CZ2-CG 4.27Å; W142-Q146 HydrophobicContact CZ3-CG 3.57Å; W142-Q146 WeakPolarHBondContact O-CB 3.28Å; W142-Q146 VanDerWaalsContact O-CG 3.29Å; W142-Q146 WeakPolarHBondContact O-CG 3.23Å; W142-Q146 PolarHBondContact O-N 3.34Å
147G92.7Very high93.3Very high0 Ų051.5 Ų51.50%026%0.26CS..SBendtrans-89.7-8.9-17900000114.5L143 A149 T150 L151L143-G147 VanDerWaalsContact O-CA 3.22Å; L143-G147 WeakPolarHBondContact O-CA 3.45Å; L143-G147 PolarHBondContact O-N 3.08Å; G147-A149 PolarHBondContact O-N 3.01Å; G147-T150 WeakPolarHBondContact O-CB 3.41Å; G147-T150 PolarHBondContact O-N 3.47Å; G147-L151 PolarHBondContact O-N 3.32Å; G147-L151 VanDerWaalsContact O-N 3.14Å
148R90.9Very high93.5Very high167 Ų16750.1 Ų50.163%0.6325%0.252SS*.Hα-helixtrans-57.8-48.2-177.8179.5177.1172.8153.15.1112.9T150 L151 E152R148-T150 PolarHBondContact O-N 2.57Å; R148-L151 WeakPolarHBondContact O-CB 3.37Å; R148-L151 PolarHBondContact O-N 3.13Å; R148-E152 HydrophobicContact CG-CG 4.47Å; R148-E152 WeakPolarHBondContact CG-OE1 3.39Å; R148-E152 IonicContact CZ-OE1 3.75Å; R148-E152 IonicContact NE-OE1 2.69Å; R148-E152 PolarHBondContact NE-OE1 3.13Å; R148-E152 IonicContact NH2-OE1 3.07Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 2.96Å
149A93Very high93.7Very high29 Ų2952.8 Ų52.824%0.2426%0.255CS..Hα-helixtrans-59.8-37.7179.200000111.6G147 L151 E152 K153 Q197G147-A149 PolarHBondContact O-N 3.01Å; A149-L151 PolarHBondContact O-N 3.33Å; A149-E152 PolarHBondContact O-N 3.45Å; A149-K153 WeakPolarHBondContact O-CG 3.45Å; A149-K153 PolarHBondContact O-N 2.85Å; A149-Q197 HydrophobicContact CB-CG 4.2Å
150T97.3Very high93.8Very high0 Ų052.6 Ų52.60%026%0.256CS..Hα-helixtrans-61.6-41.6174.2-58.30000112.3L123 G147 R148 K153 Y154 L190 I193 N194L123-T150 HydrophobicContact CD2-CG2 4.28Å; G147-T150 WeakPolarHBondContact O-CB 3.41Å; G147-T150 PolarHBondContact O-N 3.47Å; R148-T150 PolarHBondContact O-N 2.57Å; T150-K153 PolarHBondContact O-N 3.11Å; T150-Y154 PolarHBondContact O-N 2.84Å; T150-L190 HydrophobicContact CG2-CD1 3.74Å; T150-L190 HydrophobicContact CG2-CG 4.21Å; T150-I193 HydrophobicContact CG2-CB 4.48Å; T150-I193 HydrophobicContact CG2-CG2 4.04Å; T150-N194 HydrophobicContact CG2-CB 3.68Å; T150-N194 PolarHBondContact OG1-OD1 3.24Å
151L96.1Very high93.6Very high25 Ų2557.9 Ų57.913%0.13129%0.285CS..Hα-helixtrans-66.1-41.9175.8-68.9176.5000111.8L123 R127 G147 R148 A149 K153 Y154 E155 L190L123-L151 HydrophobicContact CD1-CD1 3.71Å; L123-L151 HydrophobicContact CD1-CD2 4.47Å; L123-L151 HydrophobicContact CD1-CG 3.97Å; L123-L151 HydrophobicContact CD2-CG 4.35Å; L123-L151 HydrophobicContact CG-CD1 4.2Å; L123-L151 HydrophobicContact CG-CD2 4.04Å; L123-L151 HydrophobicContact CG-CG 4Å; R127-L151 HydrophobicContact CB-CD1 4.4Å; R127-L151 HydrophobicContact CB-CD2 4.07Å; R127-L151 HydrophobicContact CG-CD2 4.49Å; G147-L151 PolarHBondContact O-N 3.32Å; G147-L151 VanDerWaalsContact O-N 3.14Å; R148-L151 WeakPolarHBondContact O-CB 3.37Å; R148-L151 PolarHBondContact O-N 3.13Å; A149-L151 PolarHBondContact O-N 3.33Å; L151-K153 VanDerWaalsContact C-N 3.29Å; L151-K153 PolarHBondContact O-N 2.93Å; L151-Y154 WeakPolarHBondContact O-CA 3.47Å; L151-Y154 WeakPolarHBondContact O-CB 3.38Å; L151-Y154 PolarHBondContact O-N 2.82Å; L151-E155 WeakPolarHBondContact O-CG 3.45Å; L151-E155 PolarHBondContact O-N 2.96Å; L151-L190 HydrophobicContact CD2-CD1 4.01Å; L151-L190 HydrophobicContact CD2-CD2 4.49Å
152E95.4Very high93.5Very high89 Ų8956.1 Ų56.142%0.41627%0.27SS..Hα-helixtrans-60.7-38.5175.7-68.8169.6177.900111.4R148 A149 E155 Q156R148-E152 HydrophobicContact CG-CG 4.47Å; R148-E152 WeakPolarHBondContact CG-OE1 3.39Å; R148-E152 IonicContact CZ-OE1 3.75Å; R148-E152 IonicContact NE-OE1 2.69Å; R148-E152 PolarHBondContact NE-OE1 3.13Å; R148-E152 IonicContact NH2-OE1 3.07Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 2.96Å; A149-E152 PolarHBondContact O-N 3.45Å; E152-E155 PolarHBondContact O-N 3.15Å; E152-Q156 PolarHBondContact O-N 3.26Å
153K97.4Very high93.7Very high30 Ų3055.9 Ų55.913%0.1328%0.277CS..Hα-helixtrans-68.4-33172.3-65.6-52.7-177.4-174.70113.2A149 T150 L151 M157 I164 S165 F166 I193 Q197 E200A149-K153 WeakPolarHBondContact O-CG 3.45Å; A149-K153 PolarHBondContact O-N 2.85Å; T150-K153 PolarHBondContact O-N 3.11Å; L151-K153 VanDerWaalsContact C-N 3.29Å; L151-K153 PolarHBondContact O-N 2.93Å; K153-M157 WeakPolarHBondContact O-CB 3.3Å; K153-M157 PolarHBondContact O-N 3.46Å; K153-I164 HydrophobicContact CB-CG2 3.96Å; K153-I164 HydrophobicContact CD-CG2 3.77Å; K153-I164 HydrophobicContact CG-CG2 4.17Å; K153-S165 PolarHBondContact NZ-O 2.79Å; K153-F166 HydrophobicContact CD-CD1 4.47Å; K153-F166 HydrophobicContact CD-CE1 4.23Å; K153-F166 HydrophobicContact CG-CE1 3.89Å; K153-F166 HydrophobicContact CG-CZ 4.38Å; K153-I193 HydrophobicContact CB-CG2 3.45Å; K153-I193 VanDerWaalsContact CB-CG2 3.45Å; K153-I193 HydrophobicContact CG-CG2 4.36Å; K153-Q197 VanDerWaalsContact CG-OE1 3.27Å; K153-E200 IonicContact NZ-OE1 3.28Å
154Y97.3Very high93.9Very high4 Ų455.9 Ų55.92%0.01628%0.277CS..Hα-helixtrans-65.8-43.7174-170.4-78.4000110.9W124 T150 L151 M157 E158 E186 Q189 L190 I193W124-Y154 HydrophobicContact CH2-CD1 4.32Å; W124-Y154 AromaticContact CH2-CE1 3.48Å; W124-Y154 HydrophobicContact CH2-CE1 3.48Å; W124-Y154 VanDerWaalsContact CH2-CE1 3.48Å; W124-Y154 HydrophobicContact CH2-CE2 4.14Å; W124-Y154 AromaticContact CH2-CZ 3.39Å; W124-Y154 VanDerWaalsContact CH2-OH 3.31Å; W124-Y154 WeakPolarHBondContact CH2-OH 3.28Å; W124-Y154 AromaticContact CZ3-CD1 3.9Å; W124-Y154 HydrophobicContact CZ3-CD1 3.9Å; W124-Y154 HydrophobicContact CZ3-CD2 4.12Å; W124-Y154 AromaticContact CZ3-CE1 3.47Å; W124-Y154 HydrophobicContact CZ3-CE1 3.47Å; W124-Y154 VanDerWaalsContact CZ3-CE1 3.47Å; W124-Y154 AromaticContact CZ3-CE2 3.72Å; W124-Y154 HydrophobicContact CZ3-CE2 3.72Å; W124-Y154 HydrophobicContact CZ3-CG 4.22Å; W124-Y154 AromaticContact CZ3-CZ 3.39Å; T150-Y154 PolarHBondContact O-N 2.84Å; L151-Y154 WeakPolarHBondContact O-CA 3.47Å; L151-Y154 WeakPolarHBondContact O-CB 3.38Å; L151-Y154 PolarHBondContact O-N 2.82Å; Y154-M157 HydrophobicContact CD1-CE 4.46Å; Y154-M157 HydrophobicContact CD2-CE 3.77Å; Y154-M157 HydrophobicContact CE1-CE 4.3Å; Y154-M157 HydrophobicContact CE2-CE 3.58Å; Y154-M157 HydrophobicContact CG-CE 4.19Å; Y154-M157 VanDerWaalsContact O-CB 3.31Å; Y154-M157 WeakPolarHBondContact O-CB 3.28Å; Y154-M157 PolarHBondContact O-N 2.82Å; Y154-E158 HydrophobicContact CD1-CG 3.98Å; Y154-E158 HydrophobicContact CE1-CG 3.69Å; Y154-E158 WeakPolarHBondContact O-CG 3.22Å; Y154-E158 PolarHBondContact O-N 2.88Å; Y154-E186 WeakPolarHBondContact OH-CB 3.29Å; Y154-E186 WeakPolarHBondContact OH-CG 3.24Å; Y154-Q189 HydrophobicContact CE2-CB 3.97Å; Y154-L190 HydrophobicContact CD2-CB 4.09Å; Y154-L190 HydrophobicContact CD2-CD1 3.71Å; Y154-L190 HydrophobicContact CE2-CB 4.34Å; Y154-L190 HydrophobicContact CG-CD1 4.08Å; Y154-I193 HydrophobicContact CD2-CD1 3.78Å; Y154-I193 HydrophobicContact CG-CD1 4.3Å
155E96.1Very high94.3Very high88 Ų8852.2 Ų52.241%0.41126%0.262SS..Hα-helixtrans-61.3-44.6175.1-69168.3177.900111.2L151 E152 M157 E158 E159L151-E155 WeakPolarHBondContact O-CG 3.45Å; L151-E155 PolarHBondContact O-N 2.96Å; E152-E155 PolarHBondContact O-N 3.15Å; E155-M157 VanDerWaalsContact C-N 3.29Å; E155-M157 PolarHBondContact O-N 2.89Å; E155-E158 WeakPolarHBondContact O-CB 3.19Å; E155-E158 PolarHBondContact O-N 3.11Å; E155-E159 WeakPolarHBondContact O-CG 3.49Å; E155-E159 PolarHBondContact O-N 3.15Å
156Q97Very high94.7Very high52 Ų5248.7 Ų48.724%0.24324%0.243CC..Hα-helixtrans-55.9-43.4172.9179.8-175.8-2.500112.2E152 E158 E159 T160 S165E152-Q156 PolarHBondContact O-N 3.26Å; Q156-E158 VanDerWaalsContact C-N 3.31Å; Q156-E158 PolarHBondContact O-N 3.44Å; Q156-E159 PolarHBondContact O-N 3.02Å; Q156-T160 HydrophobicContact CG-CG2 4.47Å; Q156-T160 WeakPolarHBondContact O-CB 3.2Å; Q156-T160 WeakPolarHBondContact O-CG2 3.33Å; Q156-T160 PolarHBondContact O-N 3.16Å; Q156-T160 VanDerWaalsContact O-N 3.07Å; Q156-T160 PolarHBondContact O-OG1 3.3Å; Q156-S165 VanDerWaalsContact NE2-N 3.17Å
157M96.8Very high94.7Very high0 Ų052.7 Ų52.70%027%0.265CS..Hα-helixtrans-62.1-39177.2-174.8-166.157.800111.6K153 Y154 E155 D161 G162 I164 I179 R181 Q189 I193K153-M157 WeakPolarHBondContact O-CB 3.3Å; K153-M157 PolarHBondContact O-N 3.46Å; Y154-M157 HydrophobicContact CD1-CE 4.46Å; Y154-M157 HydrophobicContact CD2-CE 3.77Å; Y154-M157 HydrophobicContact CE1-CE 4.3Å; Y154-M157 HydrophobicContact CE2-CE 3.58Å; Y154-M157 HydrophobicContact CG-CE 4.19Å; Y154-M157 VanDerWaalsContact O-CB 3.31Å; Y154-M157 WeakPolarHBondContact O-CB 3.28Å; Y154-M157 PolarHBondContact O-N 2.82Å; E155-M157 VanDerWaalsContact C-N 3.29Å; E155-M157 PolarHBondContact O-N 2.89Å; M157-D161 PolarHBondContact O-N 2.87Å; M157-G162 VanDerWaalsContact CG-CA 3.44Å; M157-G162 PolarHBondContact O-N 2.86Å; M157-I164 HydrophobicContact CB-CD1 3.8Å; M157-I164 HydrophobicContact CB-CG1 3.73Å; M157-I164 HydrophobicContact CG-CD1 4.04Å; M157-I164 HydrophobicContact CG-CG1 4.09Å; M157-I164 HydrophobicContact SD-CD1 4.28Å; M157-I179 HydrophobicContact SD-CB 3.63Å; M157-I179 HydrophobicContact SD-CG1 3.93Å; M157-I179 HydrophobicContact SD-CG2 4.16Å; M157-R181 HydrophobicContact CE-CG 4.47Å; M157-R181 HydrophobicContact SD-CG 4.18Å; M157-Q189 HydrophobicContact CE-CB 4.27Å; M157-I193 HydrophobicContact CB-CD1 4.38Å; M157-I193 HydrophobicContact CE-CD1 3.94Å; M157-I193 HydrophobicContact SD-CD1 3.75Å
158E95.2Very high94.6Very high69 Ų6953.3 Ų53.332%0.32227%0.268SS..Hα-helixtrans-64.5-42.1177.7-71.2179.7119.600111.5R127 Y154 E155 Q156R127-E158 IonicContact CZ-OE2 2.9Å; R127-E158 IonicContact NH2-OE1 2.65Å; R127-E158 PolarHBondContact NH2-OE1 3.15Å; R127-E158 IonicContact NH2-OE2 2.75Å; R127-E158 PolarHBondContact NH2-OE2 2.87Å; Y154-E158 HydrophobicContact CD1-CG 3.98Å; Y154-E158 HydrophobicContact CE1-CG 3.69Å; Y154-E158 WeakPolarHBondContact O-CG 3.22Å; Y154-E158 PolarHBondContact O-N 2.88Å; E155-E158 WeakPolarHBondContact O-CB 3.19Å; E155-E158 PolarHBondContact O-N 3.11Å; Q156-E158 VanDerWaalsContact C-N 3.31Å; Q156-E158 PolarHBondContact O-N 3.44Å
159E96.1Very high94.3Very high169 Ų16949.8 Ų49.879%0.7926%0.257SS*.Hα-helixtrans-70.8-30.4-179.5-68.5178.417400113.6E155 Q156E155-E159 WeakPolarHBondContact O-CG 3.49Å; E155-E159 PolarHBondContact O-N 3.15Å; Q156-E159 PolarHBondContact O-N 3.02Å
160T94.7Very high94Very high68 Ų6850.9 Ų50.942%0.41726%0.255SS..THydrogen-bonded Turntrans-107.612.5-173.662.90000113.8Q156 S163Q156-T160 HydrophobicContact CG-CG2 4.47Å; Q156-T160 WeakPolarHBondContact O-CB 3.2Å; Q156-T160 WeakPolarHBondContact O-CG2 3.33Å; Q156-T160 PolarHBondContact O-N 3.16Å; Q156-T160 VanDerWaalsContact O-N 3.07Å; Q156-T160 PolarHBondContact O-OG1 3.3Å; T160-S163 PolarHBondContact OG1-N 3Å; T160-S163 PolarHBondContact OG1-O 3.42Å
161D88.5Confident93.6Very high127 Ų12757.7 Ų57.768%0.67929%0.287SS*.THydrogen-bonded Turntrans51.455.1-176.9-164.232.7000114.1M157 R181M157-D161 PolarHBondContact O-N 2.87Å; D161-R181 IonicContact OD1-NH1 3.57Å; D161-R181 PolarHBondContact OD1-NH1 2.88Å
162G87.4Confident93.3Very high1 Ų161.1 Ų61.11%0.0131%0.313CS..SBendtrans103.4-9.3171.500000115M157 S178 I179M157-G162 VanDerWaalsContact CG-CA 3.44Å; M157-G162 PolarHBondContact O-N 2.86Å; G162-S178 CarbonylContact O-C 3.6Å; G162-S178 WeakPolarHBondContact O-CA 3.15Å; G162-S178 PolarHBondContact O-OG 3.04Å; G162-I179 PolarHBondContact O-N 2.97Å
163S95.1Very high93.1Very high49 Ų4958.6 Ų58.634%0.34330%0.303SS..EExtended strand (participates in β ladder)trans-87.9143.2-178.2-166.50000112.6T160 A177T160-S163 PolarHBondContact OG1-N 3Å; T160-S163 PolarHBondContact OG1-O 3.42Å; S163-A177 CarbonylContact C-O 3.47Å
164I97.3Very high93.1Very high0 Ų058.4 Ų58.40%031%0.305CS..EExtended strand (participates in β ladder)trans-144139.5-179-48.6176.4000108.9K153 M157 F166 E176 A177 I179 I193K153-I164 HydrophobicContact CB-CG2 3.96Å; K153-I164 HydrophobicContact CD-CG2 3.77Å; K153-I164 HydrophobicContact CG-CG2 4.17Å; M157-I164 HydrophobicContact CB-CD1 3.8Å; M157-I164 HydrophobicContact CB-CG1 3.73Å; M157-I164 HydrophobicContact CG-CD1 4.04Å; M157-I164 HydrophobicContact CG-CG1 4.09Å; M157-I164 HydrophobicContact SD-CD1 4.28Å; I164-F166 HydrophobicContact CB-CE2 4.03Å; I164-F166 HydrophobicContact CB-CZ 4.48Å; I164-F166 HydrophobicContact CG2-CD2 4.23Å; I164-F166 HydrophobicContact CG2-CE1 4.42Å; I164-F166 HydrophobicContact CG2-CE2 3.57Å; I164-F166 HydrophobicContact CG2-CZ 3.68Å; I164-E176 CarbonylContact O-C 3.57Å; I164-E176 WeakPolarHBondContact O-CA 3.32Å; I164-A177 PolarHBondContact N-O 2.88Å; I164-A177 PolarHBondContact O-N 3.42Å; I164-I179 HydrophobicContact CD1-CG1 3.97Å; I164-I193 HydrophobicContact CD1-CD1 3.57Å; I164-I193 HydrophobicContact CD1-CG1 3.47Å; I164-I193 VanDerWaalsContact CD1-CG1 3.47Å; I164-I193 HydrophobicContact CD1-CG2 4.44Å
165S97.2Very high93.1Very high29 Ų2959.5 Ų59.520%0.20331%0.31CS..EExtended strand (participates in β ladder)trans-116.8126.5175.2-51.50000109.9K153 Q156K153-S165 PolarHBondContact NZ-O 2.79Å; Q156-S165 VanDerWaalsContact NE2-N 3.17Å
166F96.5Very high93.1Very high1 Ų159.5 Ų59.50%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-103.6111.3173.3-63-89.3000107.7K153 I164 S174 F175 A177 L196 Q197 E200K153-F166 HydrophobicContact CD-CD1 4.47Å; K153-F166 HydrophobicContact CD-CE1 4.23Å; K153-F166 HydrophobicContact CG-CE1 3.89Å; K153-F166 HydrophobicContact CG-CZ 4.38Å; I164-F166 HydrophobicContact CB-CE2 4.03Å; I164-F166 HydrophobicContact CB-CZ 4.48Å; I164-F166 HydrophobicContact CG2-CD2 4.23Å; I164-F166 HydrophobicContact CG2-CE1 4.42Å; I164-F166 HydrophobicContact CG2-CE2 3.57Å; I164-F166 HydrophobicContact CG2-CZ 3.68Å; F166-S174 CarbonylContact O-C 3.45Å; F166-S174 WeakPolarHBondContact O-CA 3.13Å; F166-S174 WeakPolarHBondContact O-CB 3.12Å; F166-F175 HydrophobicContact CB-CD1 3.96Å; F166-F175 HydrophobicContact CB-CD2 4.27Å; F166-F175 HydrophobicContact CB-CE1 3.59Å; F166-F175 HydrophobicContact CB-CE2 3.94Å; F166-F175 HydrophobicContact CB-CG 4.29Å; F166-F175 HydrophobicContact CB-CZ 3.58Å; F166-F175 HydrophobicContact CD1-CZ 4.19Å; F166-F175 AromaticContact CD2-CD2 3.85Å; F166-F175 HydrophobicContact CD2-CD2 3.85Å; F166-F175 HydrophobicContact CD2-CE1 4.47Å; F166-F175 AromaticContact CD2-CE2 3.28Å; F166-F175 HydrophobicContact CD2-CE2 3.28Å; F166-F175 AromaticContact CD2-CZ 3.65Å; F166-F175 HydrophobicContact CD2-CZ 3.65Å; F166-F175 AromaticContact CE2-CE2 3.92Å; F166-F175 HydrophobicContact CE2-CE2 3.92Å; F166-F175 HydrophobicContact CE2-CZ 4.4Å; F166-F175 HydrophobicContact CG-CD2 4.37Å; F166-F175 HydrophobicContact CG-CE1 4.08Å; F166-F175 AromaticContact CG-CE2 3.7Å; F166-F175 HydrophobicContact CG-CE2 3.7Å; F166-F175 AromaticContact CG-CZ 3.52Å; F166-F175 HydrophobicContact CG-CZ 3.52Å; F166-F175 PolarHBondContact N-O 2.82Å; F166-F175 PolarHBondContact O-N 3.31Å; F166-A177 HydrophobicContact CD2-CB 4.47Å; F166-A177 HydrophobicContact CE2-CB 3.93Å; F166-L196 HydrophobicContact CD2-CB 4.49Å; F166-L196 HydrophobicContact CE1-CB 3.96Å; F166-L196 HydrophobicContact CE2-CB 3.75Å; F166-L196 HydrophobicContact CE2-CD1 3.99Å; F166-L196 HydrophobicContact CZ-CB 3.44Å; F166-L196 VanDerWaalsContact CZ-CB 3.44Å; F166-L196 HydrophobicContact CZ-CD1 4.23Å; F166-L196 HydrophobicContact CZ-CG 4.49Å; F166-Q197 HydrophobicContact CE1-CB 4.15Å; F166-E200 VanDerWaalsContact C-OE1 3.28Å; F166-E200 VanDerWaalsContact CA-OE1 3.27Å; F166-E200 WeakPolarHBondContact CA-OE1 3.34Å; F166-E200 HydrophobicContact CB-CB 4.28Å; F166-E200 HydrophobicContact CB-CG 4.42Å; F166-E200 HydrophobicContact CD1-CB 4.16Å
167L91.8Very high93.2Very high110 Ų11057.1 Ų57.158%0.57630%0.299SS*.  trans-105.1127.8-171.3-59.9-178.5000109.9E200L167-E200 PolarHBondContact N-OE1 2.98Å; L167-E200 VanDerWaalsContact O-OE1 3.06Å
168N88.7Confident93.3Very high13 Ų1359.8 Ų59.87%0.0732%0.317CS..  trans-114.2146.9175.4-164.6-77.4000110.5W170 L173 S174 A203N168-W170 CarbonylContact O-C 3.56Å; N168-W170 PolarHBondContact O-N 3.46Å; N168-W170 PolarHBondContact OD1-N 2.82Å; N168-L173 HydrophobicContact CB-CB 3.99Å; N168-S174 PolarHBondContact N-OG 2.8Å; N168-A203 VanDerWaalsContact ND2-CB 3.28Å; N168-A203 WeakPolarHBondContact ND2-CB 3.2Å; N168-A203 PolarHBondContact ND2-O 3.03Å
169K85Confident93.4Very high93 Ų9356.7 Ų56.740%0.40430%0.303SS..SBendtrans-56.6-23.3173.167.8-169.7176-166.10112.9S204 N206K169-S204 PolarHBondContact NZ-O 3.44Å; K169-N206 PolarHBondContact NZ-OD1 3.03Å
170W87.6Confident93.3Very high52 Ų5252.6 Ų52.620%0.19729%0.287CS..SBendtrans-99.599.7164.8-56.5-56.2000108.6N168 S172 L173 A203 A209 K213N168-W170 CarbonylContact O-C 3.56Å; N168-W170 PolarHBondContact O-N 3.46Å; N168-W170 PolarHBondContact OD1-N 2.82Å; W170-S172 PolarHBondContact O-N 2.84Å; W170-L173 HydrophobicContact CB-CD1 4.18Å; W170-L173 HydrophobicContact CB-CG 4.29Å; W170-L173 HydrophobicContact CE3-CD1 3.94Å; W170-L173 WeakPolarHBondContact O-CB 3.4Å; W170-L173 PolarHBondContact O-N 3Å; W170-A203 WeakPolarHBondContact CZ3-O 3.49Å; W170-A209 HydrophobicContact CD2-CB 4.33Å; W170-A209 HydrophobicContact CE3-CB 4.18Å; W170-A209 HydrophobicContact CH2-CB 3.27Å; W170-A209 HydrophobicContact CZ2-CB 3.43Å; W170-A209 VanDerWaalsContact CZ2-CB 3.43Å; W170-A209 HydrophobicContact CZ3-CB 3.67Å; W170-K213 VanDerWaalsContact CD1-CE 3.46Å; W170-K213 VanDerWaalsContact NE1-NZ 3.1Å
171Q88.2Confident93.3Very high142 Ų14253.7 Ų53.766%0.66428%0.283SS*.G310 helixtrans-51.1-30.8-173.1-172.761.924.300114.3L173 S174Q171-L173 PolarHBondContact O-N 3.5Å; Q171-S174 WeakPolarHBondContact O-CB 3.07Å; Q171-S174 PolarHBondContact O-N 2.79Å; Q171-S174 VanDerWaalsContact O-N 3.12Å; Q171-S174 PolarHBondContact O-OG 3.08Å
172S89.8Confident93.6Very high98 Ų9857.4 Ų57.469%0.68529%0.293SS*.G310 helixtrans-64.5-15.9176.261.30000114.3W170W170-S172 PolarHBondContact O-N 2.84Å
173L92.4Very high94Very high36 Ų3662.7 Ų62.719%0.18832%0.316CS..G310 helixtrans-102.2-2.2177.3-56-179.4000112.6N168 W170 Q171 A203 L212N168-L173 HydrophobicContact CB-CB 3.99Å; W170-L173 HydrophobicContact CB-CD1 4.18Å; W170-L173 HydrophobicContact CB-CG 4.29Å; W170-L173 HydrophobicContact CE3-CD1 3.94Å; W170-L173 WeakPolarHBondContact O-CB 3.4Å; W170-L173 PolarHBondContact O-N 3Å; Q171-L173 PolarHBondContact O-N 3.5Å; L173-A203 HydrophobicContact CB-CB 4.38Å; L173-A203 HydrophobicContact CD1-CB 4.15Å; L173-L212 HydrophobicContact CD1-CB 4.06Å; L173-L212 HydrophobicContact CD1-CD1 3.92Å; L173-L212 HydrophobicContact CD2-CB 3.98Å
174S96.2Very high94.1Very high26 Ų2661.6 Ų61.618%0.18230%0.304CS..  trans-72.1147.7172.1-57.50000110.3F166 N168 Q171F166-S174 CarbonylContact O-C 3.45Å; F166-S174 WeakPolarHBondContact O-CA 3.13Å; F166-S174 WeakPolarHBondContact O-CB 3.12Å; N168-S174 PolarHBondContact N-OG 2.8Å; Q171-S174 WeakPolarHBondContact O-CB 3.07Å; Q171-S174 PolarHBondContact O-N 2.79Å; Q171-S174 VanDerWaalsContact O-N 3.12Å; Q171-S174 PolarHBondContact O-OG 3.08Å
175F97.1Very high94.1Very high27 Ų2765.1 Ų65.112%0.11832%0.323CS..EExtended strand (participates in β ladder)trans-150.1161.917764.4-85000111.4F166 L196 L199 F234F166-F175 HydrophobicContact CB-CD1 3.96Å; F166-F175 HydrophobicContact CB-CD2 4.27Å; F166-F175 HydrophobicContact CB-CE1 3.59Å; F166-F175 HydrophobicContact CB-CE2 3.94Å; F166-F175 HydrophobicContact CB-CG 4.29Å; F166-F175 HydrophobicContact CB-CZ 3.58Å; F166-F175 HydrophobicContact CD1-CZ 4.19Å; F166-F175 AromaticContact CD2-CD2 3.85Å; F166-F175 HydrophobicContact CD2-CD2 3.85Å; F166-F175 HydrophobicContact CD2-CE1 4.47Å; F166-F175 AromaticContact CD2-CE2 3.28Å; F166-F175 HydrophobicContact CD2-CE2 3.28Å; F166-F175 AromaticContact CD2-CZ 3.65Å; F166-F175 HydrophobicContact CD2-CZ 3.65Å; F166-F175 AromaticContact CE2-CE2 3.92Å; F166-F175 HydrophobicContact CE2-CE2 3.92Å; F166-F175 HydrophobicContact CE2-CZ 4.4Å; F166-F175 HydrophobicContact CG-CD2 4.37Å; F166-F175 HydrophobicContact CG-CE1 4.08Å; F166-F175 AromaticContact CG-CE2 3.7Å; F166-F175 HydrophobicContact CG-CE2 3.7Å; F166-F175 AromaticContact CG-CZ 3.52Å; F166-F175 HydrophobicContact CG-CZ 3.52Å; F166-F175 PolarHBondContact N-O 2.82Å; F166-F175 PolarHBondContact O-N 3.31Å; F175-L196 HydrophobicContact CE2-CB 4.24Å; F175-L196 HydrophobicContact CE2-CD2 4.29Å; F175-L196 HydrophobicContact CZ-CB 4.36Å; F175-L199 HydrophobicContact CE1-CB 4.02Å; F175-L199 HydrophobicContact CZ-CB 4.01Å; F175-L199 HydrophobicContact CZ-CD1 4.22Å; F175-F234 AromaticContact CD2-CE1 3.59Å; F175-F234 HydrophobicContact CD2-CE1 3.59Å; F175-F234 AromaticContact CD2-CZ 3.76Å; F175-F234 HydrophobicContact CD2-CZ 3.76Å; F175-F234 AromaticContact CE2-CE1 3.77Å; F175-F234 HydrophobicContact CE2-CE1 3.77Å; F175-F234 HydrophobicContact CE2-CZ 4Å; F175-F234 HydrophobicContact CG-CE1 4.5Å
176E97.7Very high94Very high88 Ų8868.5 Ų68.541%0.41134%0.336SS..EExtended strand (participates in β ladder)trans-112.7150.4176.1-68.4178.2166.100109.9I164 F234 K239I164-E176 CarbonylContact O-C 3.57Å; I164-E176 WeakPolarHBondContact O-CA 3.32Å; E176-F234 WeakPolarHBondContact O-CZ 3.43Å; E176-K239 HydrophobicContact CB-CD 4.02Å; E176-K239 IonicContact OE2-NZ 2.82Å; E176-K239 PolarHBondContact OE2-NZ 3.33Å
177A98.2Very high94.1Very high2 Ų270.3 Ų70.32%0.01735%0.345CS..EExtended strand (participates in β ladder)trans-138158.4175.700000110.5S163 I164 F166 L196 F234 K239S163-A177 CarbonylContact C-O 3.47Å; I164-A177 PolarHBondContact N-O 2.88Å; I164-A177 PolarHBondContact O-N 3.42Å; F166-A177 HydrophobicContact CD2-CB 4.47Å; F166-A177 HydrophobicContact CE2-CB 3.93Å; A177-L196 HydrophobicContact CB-CD1 3.45Å; A177-L196 VanDerWaalsContact CB-CD1 3.45Å; A177-F234 HydrophobicContact CB-CE2 3.6Å; A177-F234 HydrophobicContact CB-CZ 3.78Å; A177-K239 CarbonylContact C-O 3.5Å; A177-K239 WeakPolarHBondContact CA-O 3.31Å
178S97.8Very high94.4Very high55 Ų5565.6 Ų65.639%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-133.4136.1168.1-179.20000110.2G162 K239G162-S178 CarbonylContact O-C 3.6Å; G162-S178 WeakPolarHBondContact O-CA 3.15Å; G162-S178 PolarHBondContact O-OG 3.04Å; S178-K239 PolarHBondContact N-O 3.34Å
179I97.5Very high94.8Very high4 Ų465.4 Ų65.42%0.02132%0.319CS..  trans-108.3131.1178.2-52.5-58.7000109M157 G162 I164 R181 Q189 Q192 I193 L196 F241M157-I179 HydrophobicContact SD-CB 3.63Å; M157-I179 HydrophobicContact SD-CG1 3.93Å; M157-I179 HydrophobicContact SD-CG2 4.16Å; G162-I179 PolarHBondContact O-N 2.97Å; I164-I179 HydrophobicContact CD1-CG1 3.97Å; I179-R181 PolarHBondContact O-N 2.79Å; I179-Q189 HydrophobicContact CG2-CB 4.06Å; I179-Q189 HydrophobicContact CG2-CG 3.86Å; I179-Q192 HydrophobicContact CD1-CB 3.83Å; I179-I193 HydrophobicContact CD1-CG1 4.44Å; I179-I193 HydrophobicContact CG1-CD1 4.49Å; I179-I193 HydrophobicContact CG1-CG1 3.94Å; I179-L196 HydrophobicContact CD1-CD1 4.3Å; I179-F241 HydrophobicContact CD1-CD2 4.43Å
180D95.2Very high95.5Very high83 Ų8361 Ų6144%0.44430%0.3SS..  trans-74.594.4177.2-172-19.9000110.8K182 K183 W184D180-K182 PolarHBondContact O-N 3.32Å; D180-K182 PolarHBondContact OD1-N 2.78Å; D180-K183 HydrophobicContact CB-CB 3.95Å; D180-K183 PolarHBondContact O-N 2.77Å; D180-K183 PolarHBondContact OD1-N 3.24Å; D180-K183 WeakPolarHBondContact OD2-CB 3.14Å; D180-W184 VanDerWaalsContact O-CD1 3.24Å; D180-W184 PolarHBondContact O-N 3.43Å; D180-W184 VanDerWaalsContact O-N 3.1Å
181R94.9Very high96Very high92 Ų9258.6 Ų58.635%0.34729%0.291SS..THydrogen-bonded Turntrans-68.5-18.8-178.7-60.3179.967-154.87.9114M157 D161 I179 Q189M157-R181 HydrophobicContact CE-CG 4.47Å; M157-R181 HydrophobicContact SD-CG 4.18Å; D161-R181 IonicContact OD1-NH1 3.57Å; D161-R181 PolarHBondContact OD1-NH1 2.88Å; I179-R181 PolarHBondContact O-N 2.79Å; R181-Q189 PolarHBondContact O-NE2 3.26Å
182K95.1Very high96.5Very high205 Ų20552 Ų5289%0.89126%0.26SS*.THydrogen-bonded Turntrans-85.4-32.1177.8-65.9-179.9-177.9174.80111.1D180D180-K182 PolarHBondContact O-N 3.32Å; D180-K182 PolarHBondContact OD1-N 2.78Å
183K95.5Very high96.9Very high111 Ų11147.3 Ų47.348%0.48323%0.228SC..THydrogen-bonded Turntrans-80.4-42.7179.4-174.7177.8179.6-171.50112.8D180D180-K183 HydrophobicContact CB-CB 3.95Å; D180-K183 PolarHBondContact O-N 2.77Å; D180-K183 PolarHBondContact OD1-N 3.24Å; D180-K183 WeakPolarHBondContact OD2-CB 3.14Å
184W96.5Very high97.2Very high26 Ų2645.6 Ų45.610%0.09822%0.219CC..SBendtrans-105.2142.6-169.8-55.7118.6000111.8D180 D188 Q189 Q192 W223 N225 H232D180-W184 VanDerWaalsContact O-CD1 3.24Å; D180-W184 PolarHBondContact O-N 3.43Å; D180-W184 VanDerWaalsContact O-N 3.1Å; W184-D188 HydrophobicContact CB-CB 4.24Å; W184-Q189 HydrophobicContact CB-CG 3.88Å; W184-Q189 PolarHBondContact O-NE2 2.92Å; W184-Q192 VanDerWaalsContact CG-NE2 3.34Å; W184-Q192 VanDerWaalsContact NE1-NE2 3.15Å; W184-W223 HydrophobicContact CD2-CH2 4.19Å; W184-W223 HydrophobicContact CD2-CZ3 4.38Å; W184-W223 AromaticContact CE3-CH2 3.8Å; W184-W223 HydrophobicContact CE3-CH2 3.8Å; W184-W223 HydrophobicContact CE3-CZ3 4.17Å; W184-W223 AromaticContact CH2-CH2 3.99Å; W184-W223 HydrophobicContact CH2-CH2 3.99Å; W184-W223 AromaticContact CH2-CZ3 3.53Å; W184-W223 HydrophobicContact CH2-CZ3 3.53Å; W184-W223 HydrophobicContact CZ2-CH2 4.33Å; W184-W223 AromaticContact CZ2-CZ3 3.73Å; W184-W223 HydrophobicContact CZ2-CZ3 3.73Å; W184-W223 AromaticContact CZ3-CH2 3.71Å; W184-W223 HydrophobicContact CZ3-CH2 3.71Å; W184-W223 AromaticContact CZ3-CZ3 3.77Å; W184-W223 HydrophobicContact CZ3-CZ3 3.77Å; W184-N225 HydrophobicContact CH2-CB 4.38Å; W184-N225 HydrophobicContact CZ3-CB 4.46Å; W184-H232 AromaticContact CH2-CE1 3.97Å; W184-H232 AromaticContact CH2-NE2 3.95Å; W184-H232 AromaticContact CZ2-NE2 3.77Å
185N96.8Very high97.3Very high75 Ų7544.4 Ų44.440%0.40121%0.21SC..  trans-70.6168.3168.865.463.8000111.1L187 D188 Q189N185-L187 VanDerWaalsContact C-N 3.3Å; N185-L187 PolarHBondContact O-N 3.34Å; N185-L187 WeakPolarHBondContact OD1-CB 3.42Å; N185-L187 PolarHBondContact OD1-N 3.38Å; N185-D188 PolarHBondContact ND2-OD2 3.42Å; N185-D188 PolarHBondContact O-N 3.4Å; N185-D188 VanDerWaalsContact O-N 3.15Å; N185-D188 PolarHBondContact OD1-N 3.13Å; N185-Q189 VanDerWaalsContact O-CG 3.24Å; N185-Q189 WeakPolarHBondContact O-CG 3.46Å; N185-Q189 PolarHBondContact O-N 3.19Å
186E96.4Very high97.3Very high99 Ų9943.1 Ų43.146%0.46321%0.205SC..Hα-helixtrans-59.5-37.7-174.5-60.588.7161.200113.1W124 Y154 L190W124-E186 HydrophobicContact CH2-CB 3.77Å; W124-E186 HydrophobicContact CH2-CG 4.11Å; W124-E186 HydrophobicContact CZ2-CB 3.56Å; W124-E186 HydrophobicContact CZ2-CG 3.85Å; W124-E186 HydrophobicContact CZ3-CB 4.38Å; Y154-E186 WeakPolarHBondContact OH-CB 3.29Å; Y154-E186 WeakPolarHBondContact OH-CG 3.24Å; E186-L190 WeakPolarHBondContact O-CB 3.45Å; E186-L190 PolarHBondContact O-N 3.11Å
187L97.3Very high97.4Very high39 Ų3938.9 Ų38.920%0.20419%0.185CC..Hα-helixtrans-68.7-39.5179.1-62.2-177.6000111.5K121 W124 N185 L190 S191K121-L187 HydrophobicContact CB-CD1 4.33Å; K121-L187 HydrophobicContact CG-CD1 4.2Å; W124-L187 HydrophobicContact CB-CD2 3.43Å; W124-L187 VanDerWaalsContact CB-CD2 3.43Å; W124-L187 HydrophobicContact CD2-CD2 4.2Å; W124-L187 HydrophobicContact CG-CD2 3.47Å; W124-L187 VanDerWaalsContact CG-CD2 3.47Å; N185-L187 VanDerWaalsContact C-N 3.3Å; N185-L187 PolarHBondContact O-N 3.34Å; N185-L187 WeakPolarHBondContact OD1-CB 3.42Å; N185-L187 PolarHBondContact OD1-N 3.38Å; L187-L190 PolarHBondContact O-N 3.09Å; L187-S191 WeakPolarHBondContact O-CB 3.31Å; L187-S191 PolarHBondContact O-N 3.38Å
188D98Very high97.4Very high11 Ų1138.8 Ų38.86%0.05918%0.184CC..Hα-helixtrans-74.5-37.9179.3-69.6-21000111.3S115 D116 W184 N185 S191 Q192 W223S115-D188 WeakPolarHBondContact CA-OD1 3.45Å; S115-D188 WeakPolarHBondContact CB-OD1 3.19Å; D116-D188 PolarHBondContact N-OD1 3.3Å; W184-D188 HydrophobicContact CB-CB 4.24Å; N185-D188 PolarHBondContact ND2-OD2 3.42Å; N185-D188 PolarHBondContact O-N 3.4Å; N185-D188 VanDerWaalsContact O-N 3.15Å; N185-D188 PolarHBondContact OD1-N 3.13Å; D188-S191 WeakPolarHBondContact CA-OG 3.48Å; D188-S191 PolarHBondContact O-N 2.83Å; D188-S191 PolarHBondContact O-OG 3.46Å; D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 2.81Å; D188-W223 HydrophobicContact CB-CH2 4.15Å; D188-W223 HydrophobicContact CB-CZ2 3.8Å
189Q98Very high97.4Very high9 Ų936.3 Ų36.34%0.04217%0.167CC..Hα-helixtrans-54.7-52.1167.1-68.3171.938.200110.4Y154 M157 I179 R181 W184 N185 S191 Q192 I193Y154-Q189 HydrophobicContact CE2-CB 3.97Å; M157-Q189 HydrophobicContact CE-CB 4.27Å; I179-Q189 HydrophobicContact CG2-CB 4.06Å; I179-Q189 HydrophobicContact CG2-CG 3.86Å; R181-Q189 PolarHBondContact O-NE2 3.26Å; W184-Q189 HydrophobicContact CB-CG 3.88Å; W184-Q189 PolarHBondContact O-NE2 2.92Å; N185-Q189 VanDerWaalsContact O-CG 3.24Å; N185-Q189 WeakPolarHBondContact O-CG 3.46Å; N185-Q189 PolarHBondContact O-N 3.19Å; Q189-S191 VanDerWaalsContact C-N 3.3Å; Q189-S191 PolarHBondContact O-N 3.15Å; Q189-Q192 PolarHBondContact O-N 3.37Å; Q189-I193 WeakPolarHBondContact O-CG1 3.35Å; Q189-I193 PolarHBondContact O-N 2.9Å
190L98.2Very high97.3Very high0 Ų037 Ų370%017%0.17CC..Hα-helixtrans-60-39.8179.1-171.571.3000112.2M120 L123 W124 T150 L151 Y154 E186 L187 I193 N194M120-L190 HydrophobicContact CB-CD2 4.21Å; M120-L190 HydrophobicContact SD-CD2 4.31Å; M120-L190 HydrophobicContact SD-CG 4.19Å; L123-L190 HydrophobicContact CB-CD2 4.37Å; L123-L190 HydrophobicContact CD2-CD2 4.26Å; L123-L190 HydrophobicContact CG-CD2 4.33Å; W124-L190 HydrophobicContact CB-CD2 4.22Å; W124-L190 HydrophobicContact CE3-CD2 4.07Å; T150-L190 HydrophobicContact CG2-CD1 3.74Å; T150-L190 HydrophobicContact CG2-CG 4.21Å; L151-L190 HydrophobicContact CD2-CD1 4.01Å; L151-L190 HydrophobicContact CD2-CD2 4.49Å; Y154-L190 HydrophobicContact CD2-CB 4.09Å; Y154-L190 HydrophobicContact CD2-CD1 3.71Å; Y154-L190 HydrophobicContact CE2-CB 4.34Å; Y154-L190 HydrophobicContact CG-CD1 4.08Å; E186-L190 WeakPolarHBondContact O-CB 3.45Å; E186-L190 PolarHBondContact O-N 3.11Å; L187-L190 PolarHBondContact O-N 3.09Å; L190-I193 PolarHBondContact O-N 3.21Å; L190-N194 VanDerWaalsContact O-CB 3.32Å; L190-N194 WeakPolarHBondContact O-CB 3.38Å; L190-N194 PolarHBondContact O-N 3.35Å
191S98.4Very high97.3Very high2 Ų233.1 Ų33.11%0.01415%0.149CC..Hα-helixtrans-68.4-33.417975.60000113.5H114 L187 D188 Q189 C195 W223H114-S191 WeakPolarHBondContact O-CB 3.12Å; H114-S191 PolarHBondContact O-OG 3.46Å; L187-S191 WeakPolarHBondContact O-CB 3.31Å; L187-S191 PolarHBondContact O-N 3.38Å; D188-S191 WeakPolarHBondContact CA-OG 3.48Å; D188-S191 PolarHBondContact O-N 2.83Å; D188-S191 PolarHBondContact O-OG 3.46Å; Q189-S191 VanDerWaalsContact C-N 3.3Å; Q189-S191 PolarHBondContact O-N 3.15Å; S191-C195 PolarHBondContact O-N 3.21Å; S191-C195 VanDerWaalsContact O-N 3.09Å; S191-W223 PolarHBondContact OG-NE1 3.31Å
192Q98.6Very high97.3Very high3 Ų328.8 Ų28.81%0.01413%0.133CC..Hα-helixtrans-67.4-47172.1-74.9177.347.800110.6I179 W184 D188 Q189 N194 C195 L196 W223 F241I179-Q192 HydrophobicContact CD1-CB 3.83Å; W184-Q192 VanDerWaalsContact CG-NE2 3.34Å; W184-Q192 VanDerWaalsContact NE1-NE2 3.15Å; D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 2.81Å; Q189-Q192 PolarHBondContact O-N 3.37Å; Q192-N194 VanDerWaalsContact C-N 3.29Å; Q192-N194 PolarHBondContact O-N 3.24Å; Q192-C195 WeakPolarHBondContact O-CB 3.32Å; Q192-C195 PolarHBondContact O-N 2.82Å; Q192-C195 VanDerWaalsContact O-N 3.13Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 3.22Å; Q192-L196 VanDerWaalsContact O-N 3.11Å; Q192-W223 HydrophobicContact CG-CB 4.48Å; Q192-W223 HydrophobicContact CG-CD2 3.61Å; Q192-W223 HydrophobicContact CG-CE3 4.23Å; Q192-W223 HydrophobicContact CG-CG 3.69Å; Q192-W223 HydrophobicContact CG-CZ2 4.16Å; Q192-F241 HydrophobicContact CB-CD2 3.95Å; Q192-F241 HydrophobicContact CB-CE2 3.7Å; Q192-F241 HydrophobicContact CG-CD2 3.87Å; Q192-F241 HydrophobicContact CG-CE2 3.98Å
193I98.6Very high97.3Very high0 Ų019.1 Ų19.10%09%0.091CC..Hα-helixtrans-58.2-44.9175.7-66.3173.6000110.6T150 K153 Y154 M157 I164 I179 Q189 L190 C195 L196 Q197T150-I193 HydrophobicContact CG2-CB 4.48Å; T150-I193 HydrophobicContact CG2-CG2 4.04Å; K153-I193 HydrophobicContact CB-CG2 3.45Å; K153-I193 VanDerWaalsContact CB-CG2 3.45Å; K153-I193 HydrophobicContact CG-CG2 4.36Å; Y154-I193 HydrophobicContact CD2-CD1 3.78Å; Y154-I193 HydrophobicContact CG-CD1 4.3Å; M157-I193 HydrophobicContact CB-CD1 4.38Å; M157-I193 HydrophobicContact CE-CD1 3.94Å; M157-I193 HydrophobicContact SD-CD1 3.75Å; I164-I193 HydrophobicContact CD1-CD1 3.57Å; I164-I193 HydrophobicContact CD1-CG1 3.47Å; I164-I193 VanDerWaalsContact CD1-CG1 3.47Å; I164-I193 HydrophobicContact CD1-CG2 4.44Å; I179-I193 HydrophobicContact CD1-CG1 4.44Å; I179-I193 HydrophobicContact CG1-CD1 4.49Å; I179-I193 HydrophobicContact CG1-CG1 3.94Å; Q189-I193 WeakPolarHBondContact O-CG1 3.35Å; Q189-I193 PolarHBondContact O-N 2.9Å; L190-I193 PolarHBondContact O-N 3.21Å; I193-C195 VanDerWaalsContact C-N 3.3Å; I193-C195 PolarHBondContact O-N 3.24Å; I193-L196 PolarHBondContact O-N 3.06Å; I193-Q197 WeakPolarHBondContact O-CB 3.46Å; I193-Q197 PolarHBondContact O-N 3.1Å
194N98.7Very high97.2Very high1 Ų113.9 Ų13.91%0.0057%0.069CC..Hα-helixtrans-57.9-43.7176.8178.462.3000111.6G62 M120 T150 L190 Q192 L196 Q197 Q198G62-N194 PolarHBondContact O-ND2 3.04Å; M120-N194 HydrophobicContact CE-CB 4.24Å; M120-N194 HydrophobicContact SD-CB 3.48Å; M120-N194 WeakPolarHBondContact SD-CB 3.29Å; T150-N194 HydrophobicContact CG2-CB 3.68Å; T150-N194 PolarHBondContact OG1-OD1 3.24Å; L190-N194 VanDerWaalsContact O-CB 3.32Å; L190-N194 WeakPolarHBondContact O-CB 3.38Å; L190-N194 PolarHBondContact O-N 3.35Å; Q192-N194 VanDerWaalsContact C-N 3.29Å; Q192-N194 PolarHBondContact O-N 3.24Å; N194-L196 VanDerWaalsContact C-N 3.34Å; N194-L196 PolarHBondContact O-N 3.27Å; N194-Q197 WeakPolarHBondContact O-CB 3.47Å; N194-Q197 PolarHBondContact O-N 3.39Å; N194-Q198 WeakPolarHBondContact O-CG 3.44Å; N194-Q198 PolarHBondContact O-N 3.42Å; N194-Q198 PolarHBondContact O-NE2 3.48Å; N194-Q198 PolarHBondContact OD1-NE2 3.05Å; N194-Q198 VanDerWaalsContact OD1-NE2 3.08Å
195C98.3Very high96.9Very high0 Ų013.4 Ų13.40%07%0.067CC..Hα-helixtrans-59-45.4177.2-167.40000111.6V111 S191 Q192 I193 Q198 L222 F241V111-C195 PolarHBondContact O-SG 3.23Å; S191-C195 PolarHBondContact O-N 3.21Å; S191-C195 VanDerWaalsContact O-N 3.09Å; Q192-C195 WeakPolarHBondContact O-CB 3.32Å; Q192-C195 PolarHBondContact O-N 2.82Å; Q192-C195 VanDerWaalsContact O-N 3.13Å; I193-C195 VanDerWaalsContact C-N 3.3Å; I193-C195 PolarHBondContact O-N 3.24Å; C195-Q198 WeakPolarHBondContact O-CB 3.32Å; C195-Q198 PolarHBondContact O-N 2.88Å; C195-L222 PolarHBondContact SG-O 3.18Å; C195-F241 HydrophobicContact CB-CZ 4.19Å
196L98.6Very high96.7Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-69.3-39.4178.3-61.2177.2000112.9F166 F175 A177 I179 Q192 I193 N194 Q198 L199 E200 A221 F234 F241F166-L196 HydrophobicContact CD2-CB 4.49Å; F166-L196 HydrophobicContact CE1-CB 3.96Å; F166-L196 HydrophobicContact CE2-CB 3.75Å; F166-L196 HydrophobicContact CE2-CD1 3.99Å; F166-L196 HydrophobicContact CZ-CB 3.44Å; F166-L196 VanDerWaalsContact CZ-CB 3.44Å; F166-L196 HydrophobicContact CZ-CD1 4.23Å; F166-L196 HydrophobicContact CZ-CG 4.49Å; F175-L196 HydrophobicContact CE2-CB 4.24Å; F175-L196 HydrophobicContact CE2-CD2 4.29Å; F175-L196 HydrophobicContact CZ-CB 4.36Å; A177-L196 HydrophobicContact CB-CD1 3.45Å; A177-L196 VanDerWaalsContact CB-CD1 3.45Å; I179-L196 HydrophobicContact CD1-CD1 4.3Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 3.22Å; Q192-L196 VanDerWaalsContact O-N 3.11Å; I193-L196 PolarHBondContact O-N 3.06Å; N194-L196 VanDerWaalsContact C-N 3.34Å; N194-L196 PolarHBondContact O-N 3.27Å; L196-Q198 PolarHBondContact O-N 3.33Å; L196-Q198 VanDerWaalsContact O-N 3.15Å; L196-L199 HydrophobicContact CD2-CD1 4.48Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.3Å; L196-E200 PolarHBondContact O-N 3.14Å; L196-A221 HydrophobicContact CD2-CB 3.91Å; L196-F234 HydrophobicContact CD1-CD2 4.14Å; L196-F234 HydrophobicContact CD1-CE2 4Å; L196-F234 HydrophobicContact CD2-CB 3.8Å; L196-F234 HydrophobicContact CD2-CD1 3.61Å; L196-F234 HydrophobicContact CD2-CD2 3.48Å; L196-F234 VanDerWaalsContact CD2-CD2 3.48Å; L196-F234 HydrophobicContact CD2-CE1 4Å; L196-F234 HydrophobicContact CD2-CE2 3.9Å; L196-F234 HydrophobicContact CD2-CG 3.32Å; L196-F234 HydrophobicContact CD2-CZ 4.14Å; L196-F234 HydrophobicContact CG-CD2 4.44Å; L196-F241 HydrophobicContact CD1-CE2 3.92Å; L196-F241 HydrophobicContact CD2-CE2 3.88Å; L196-F241 HydrophobicContact CD2-CZ 3.75Å; L196-F241 HydrophobicContact CG-CE2 3.77Å; L196-F241 HydrophobicContact CG-CZ 4Å
197Q98.1Very high96.5Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-54-35.1174.3-178.559.453.700111.2A149 K153 F166 I193 N194 L199 E200 N201A149-Q197 HydrophobicContact CB-CG 4.2Å; K153-Q197 VanDerWaalsContact CG-OE1 3.27Å; F166-Q197 HydrophobicContact CE1-CB 4.15Å; I193-Q197 WeakPolarHBondContact O-CB 3.46Å; I193-Q197 PolarHBondContact O-N 3.1Å; N194-Q197 WeakPolarHBondContact O-CB 3.47Å; N194-Q197 PolarHBondContact O-N 3.39Å; Q197-L199 VanDerWaalsContact C-N 3.3Å; Q197-L199 PolarHBondContact O-N 2.99Å; Q197-E200 PolarHBondContact NE2-OE2 2.69Å; Q197-E200 WeakPolarHBondContact O-CB 3.14Å; Q197-E200 PolarHBondContact O-N 3.18Å; Q197-E200 PolarHBondContact OE1-OE2 3.47Å; Q197-N201 PolarHBondContact NE2-OD1 2.99Å; Q197-N201 PolarHBondContact O-N 2.7Å; Q197-N201 PolarHBondContact O-OD1 3.43Å; Q197-N201 VanDerWaalsContact O-OD1 3.04Å
198Q97.9Very high96.4Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-68.6-28.1178.7-58.1-29.9-60.500113.5N63 I65 V111 N194 C195 L196 N201 I202N63-Q198 WeakPolarHBondContact O-CG 3.47Å; I65-Q198 HydrophobicContact CD1-CB 3.72Å; I65-Q198 HydrophobicContact CD1-CG 3.99Å; I65-Q198 PolarHBondContact O-OE1 3Å; I65-Q198 VanDerWaalsContact O-OE1 3.08Å; V111-Q198 HydrophobicContact CB-CB 4.32Å; V111-Q198 HydrophobicContact CG1-CB 3.77Å; V111-Q198 HydrophobicContact CG1-CG 3.91Å; V111-Q198 HydrophobicContact CG2-CB 3.76Å; N194-Q198 WeakPolarHBondContact O-CG 3.44Å; N194-Q198 PolarHBondContact O-N 3.42Å; N194-Q198 PolarHBondContact O-NE2 3.48Å; N194-Q198 PolarHBondContact OD1-NE2 3.05Å; N194-Q198 VanDerWaalsContact OD1-NE2 3.08Å; C195-Q198 WeakPolarHBondContact O-CB 3.32Å; C195-Q198 PolarHBondContact O-N 2.88Å; L196-Q198 PolarHBondContact O-N 3.33Å; L196-Q198 VanDerWaalsContact O-N 3.15Å; Q198-N201 PolarHBondContact O-N 2.88Å; Q198-N201 PolarHBondContact OE1-ND2 2.87Å; Q198-I202 WeakPolarHBondContact O-CB 3.49Å; Q198-I202 WeakPolarHBondContact O-CD1 3.18Å; Q198-I202 VanDerWaalsContact O-CG1 3.24Å; Q198-I202 WeakPolarHBondContact O-CG1 3.49Å; Q198-I202 PolarHBondContact O-N 3.23Å
199L97.9Very high96.1Very high3 Ų310.9 Ų10.92%0.0166%0.056CC..Hα-helixtrans-66.6-42.2173.5-51.6-171.1000110.5V111 F175 L196 Q197 N201 I202 A203 L219 A221V111-L199 HydrophobicContact CB-CD2 4.2Å; V111-L199 HydrophobicContact CG2-CD2 3.76Å; F175-L199 HydrophobicContact CE1-CB 4.02Å; F175-L199 HydrophobicContact CZ-CB 4.01Å; F175-L199 HydrophobicContact CZ-CD1 4.22Å; L196-L199 HydrophobicContact CD2-CD1 4.48Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.3Å; Q197-L199 VanDerWaalsContact C-N 3.3Å; Q197-L199 PolarHBondContact O-N 2.99Å; L199-N201 VanDerWaalsContact C-N 3.33Å; L199-I202 PolarHBondContact O-N 3.22Å; L199-A203 VanDerWaalsContact O-CB 3.28Å; L199-A203 WeakPolarHBondContact O-CB 3.46Å; L199-A203 PolarHBondContact O-N 3.2Å; L199-L219 HydrophobicContact CB-CD1 4.41Å; L199-L219 HydrophobicContact CD2-CB 4.25Å; L199-A221 HydrophobicContact CD1-CB 3.81Å; L199-A221 HydrophobicContact CD2-CB 4.25Å; L199-A221 HydrophobicContact CG-CB 4.22Å
200E96.1Very high95.8Very high17 Ų1713.9 Ų13.98%0.0798%0.078CC..Hα-helixtrans-61-43.5172.6-168.2-174.3-120.300110.7F67 K153 F166 L167 L196 Q197 A203 S204F67-E200 HydrophobicContact CE2-CG 4.25Å; K153-E200 IonicContact NZ-OE1 3.28Å; F166-E200 VanDerWaalsContact C-OE1 3.28Å; F166-E200 VanDerWaalsContact CA-OE1 3.27Å; F166-E200 WeakPolarHBondContact CA-OE1 3.34Å; F166-E200 HydrophobicContact CB-CB 4.28Å; F166-E200 HydrophobicContact CB-CG 4.42Å; F166-E200 HydrophobicContact CD1-CB 4.16Å; L167-E200 PolarHBondContact N-OE1 2.98Å; L167-E200 VanDerWaalsContact O-OE1 3.06Å; L196-E200 PolarHBondContact O-N 3.14Å; Q197-E200 PolarHBondContact NE2-OE2 2.69Å; Q197-E200 WeakPolarHBondContact O-CB 3.14Å; Q197-E200 PolarHBondContact O-N 3.18Å; Q197-E200 PolarHBondContact OE1-OE2 3.47Å; E200-A203 CarbonylContact O-C 3.6Å; E200-A203 PolarHBondContact O-N 3.29Å; E200-S204 PolarHBondContact O-N 3.32Å
201N95Very high95.7Very high3 Ų315.7 Ų15.72%0.0169%0.086CC..Hα-helixtrans-62.1-47.9178-63.3-1.7000111.8I65 F67 Q197 Q198 L199 A203 S204 H205I65-N201 WeakPolarHBondContact O-CB 3.39Å; I65-N201 PolarHBondContact O-ND2 3.05Å; F67-N201 HydrophobicContact CB-CB 4.42Å; F67-N201 HydrophobicContact CD2-CB 4.43Å; F67-N201 WeakPolarHBondContact CD2-OD1 3.48Å; Q197-N201 PolarHBondContact NE2-OD1 2.99Å; Q197-N201 PolarHBondContact O-N 2.7Å; Q197-N201 PolarHBondContact O-OD1 3.43Å; Q197-N201 VanDerWaalsContact O-OD1 3.04Å; Q198-N201 PolarHBondContact O-N 2.88Å; Q198-N201 PolarHBondContact OE1-ND2 2.87Å; L199-N201 VanDerWaalsContact C-N 3.33Å; N201-A203 VanDerWaalsContact C-N 3.34Å; N201-A203 PolarHBondContact O-N 2.95Å; N201-S204 WeakPolarHBondContact O-CB 3.32Å; N201-S204 PolarHBondContact O-N 3.07Å; N201-S204 VanDerWaalsContact O-N 3.13Å; N201-S204 PolarHBondContact O-OG 2.84Å; N201-H205 PolarHBondContact O-CD2 3.49Å
202I95.9Very high95.6Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-59-48.1175.9-71.1159.6000110.3F35 I65 L97 V109 V111 Q198 L199 S204 H205 M208 L219F35-I202 HydrophobicContact CD2-CD1 4.49Å; I65-I202 HydrophobicContact CB-CG1 4.38Å; I65-I202 HydrophobicContact CD1-CD1 4.05Å; I65-I202 HydrophobicContact CD1-CG1 4.27Å; I65-I202 HydrophobicContact CG1-CG1 4.32Å; I65-I202 HydrophobicContact CG2-CG1 4.27Å; L97-I202 HydrophobicContact CD1-CG2 4.26Å; L97-I202 HydrophobicContact CD2-CB 4.48Å; L97-I202 HydrophobicContact CD2-CG1 4.28Å; L97-I202 HydrophobicContact CD2-CG2 3.96Å; V109-I202 HydrophobicContact CG1-CD1 3.78Å; V109-I202 HydrophobicContact CG1-CG2 4.39Å; V111-I202 HydrophobicContact CG2-CD1 3.68Å; Q198-I202 WeakPolarHBondContact O-CB 3.49Å; Q198-I202 WeakPolarHBondContact O-CD1 3.18Å; Q198-I202 VanDerWaalsContact O-CG1 3.24Å; Q198-I202 WeakPolarHBondContact O-CG1 3.49Å; Q198-I202 PolarHBondContact O-N 3.23Å; L199-I202 PolarHBondContact O-N 3.22Å; I202-S204 PolarHBondContact O-N 2.66Å; I202-S204 VanDerWaalsContact O-N 3.15Å; I202-H205 PolarHBondContact O-N 3.31Å; I202-M208 HydrophobicContact CG2-CE 4.46Å; I202-M208 HydrophobicContact CG2-CG 4.41Å; I202-L219 HydrophobicContact CB-CD1 4.38Å; I202-L219 HydrophobicContact CB-CD2 4.44Å; I202-L219 HydrophobicContact CG2-CD1 4.09Å; I202-L219 HydrophobicContact CG2-CD2 3.57Å
203A95.4Very high95.5Very high2 Ų221.1 Ų21.12%0.01711%0.11CC..Hα-helixtrans-67.8-11.1179.600000113.6N168 W170 L173 L199 E200 N201 L212 L219N168-A203 VanDerWaalsContact ND2-CB 3.28Å; N168-A203 WeakPolarHBondContact ND2-CB 3.2Å; N168-A203 PolarHBondContact ND2-O 3.03Å; W170-A203 WeakPolarHBondContact CZ3-O 3.49Å; L173-A203 HydrophobicContact CB-CB 4.38Å; L173-A203 HydrophobicContact CD1-CB 4.15Å; L199-A203 VanDerWaalsContact O-CB 3.28Å; L199-A203 WeakPolarHBondContact O-CB 3.46Å; L199-A203 PolarHBondContact O-N 3.2Å; E200-A203 CarbonylContact O-C 3.6Å; E200-A203 PolarHBondContact O-N 3.29Å; N201-A203 VanDerWaalsContact C-N 3.34Å; N201-A203 PolarHBondContact O-N 2.95Å; A203-L212 HydrophobicContact CB-CD1 3.94Å; A203-L219 HydrophobicContact CB-CD1 4.07Å
204S92Very high95.3Very high2 Ų223.8 Ų23.81%0.01413%0.129CC..Hα-helixtrans-77.6-22.1176.875.90000113.1C68 K169 E200 N201 I202C68-S204 WeakPolarHBondContact CB-OG 3.35Å; C68-S204 PolarHBondContact N-OG 2.77Å; K169-S204 PolarHBondContact NZ-O 3.44Å; E200-S204 PolarHBondContact O-N 3.32Å; N201-S204 WeakPolarHBondContact O-CB 3.32Å; N201-S204 PolarHBondContact O-N 3.07Å; N201-S204 VanDerWaalsContact O-N 3.13Å; N201-S204 PolarHBondContact O-OG 2.84Å; I202-S204 PolarHBondContact O-N 2.66Å; I202-S204 VanDerWaalsContact O-N 3.15Å
205H91.6Very high95Very high15 Ų1529.2 Ų29.27%0.06916%0.158CC..  trans-74.7128.7-175.5-71.3-81.1000112.2P66 N201 I202 F207 M208P66-H205 PolarHBondContact O-NE2 3.09Å; N201-H205 PolarHBondContact O-CD2 3.49Å; I202-H205 PolarHBondContact O-N 3.31Å; H205-F207 VanDerWaalsContact C-N 3.31Å; H205-F207 HydrophobicContact CB-CD1 4.05Å; H205-F207 HydrophobicContact CB-CE1 3.65Å; H205-F207 HydrophobicContact CB-CE2 4.38Å; H205-F207 HydrophobicContact CB-CZ 3.83Å; H205-F207 AromaticContact CG-CE1 3.82Å; H205-F207 AromaticContact CG-CZ 3.96Å; H205-F207 AromaticContact ND1-CE1 3.67Å; H205-F207 PolarHBondContact O-N 2.7Å; H205-M208 HydrophobicContact CB-CG 4.22Å; H205-M208 PolarHBondContact O-N 3.17Å; H205-M208 VanDerWaalsContact O-N 3.12Å
206N91.4Very high94.9Very high108 Ų10835.5 Ų35.558%0.57819%0.185SC*.G310 helixtrans-59.9-36.9-178.2-74.6-19.6000114K169 M208 A209K169-N206 PolarHBondContact NZ-OD1 3.03Å; N206-M208 PolarHBondContact O-N 3.12Å; N206-A209 VanDerWaalsContact O-CB 3.29Å; N206-A209 WeakPolarHBondContact O-CB 3.31Å; N206-A209 PolarHBondContact O-N 3.49Å
207F92.4Very high94.9Very high52 Ų5235.6 Ų35.623%0.22819%0.186CC..G310 helixtrans-70-19.9-179.963.5-100.7000113T94 L97 Q98 H205 F211T94-F207 HydrophobicContact CG2-CE1 4.04Å; T94-F207 HydrophobicContact CG2-CZ 4.03Å; L97-F207 HydrophobicContact CD2-CE2 3.97Å; L97-F207 HydrophobicContact CD2-CZ 3.99Å; L97-F207 HydrophobicContact CG-CE2 4.02Å; L97-F207 HydrophobicContact CG-CZ 4.37Å; Q98-F207 HydrophobicContact CB-CD2 4.34Å; Q98-F207 HydrophobicContact CB-CE2 3.97Å; Q98-F207 HydrophobicContact CB-CZ 4.18Å; Q98-F207 HydrophobicContact CG-CD2 4.32Å; Q98-F207 HydrophobicContact CG-CE2 4.43Å; H205-F207 VanDerWaalsContact C-N 3.31Å; H205-F207 HydrophobicContact CB-CD1 4.05Å; H205-F207 HydrophobicContact CB-CE1 3.65Å; H205-F207 HydrophobicContact CB-CE2 4.38Å; H205-F207 HydrophobicContact CB-CZ 3.83Å; H205-F207 AromaticContact CG-CE1 3.82Å; H205-F207 AromaticContact CG-CZ 3.96Å; H205-F207 AromaticContact ND1-CE1 3.67Å; H205-F207 PolarHBondContact O-N 2.7Å; F207-F211 WeakPolarHBondContact O-CD2 3.39Å
208M94.8Very high94.8Very high0 Ų039.6 Ų39.60%020%0.204CC..G310 helixtrans-83.3-21.2174.9-69.1-54.5-62.700113L97 C101 V109 I202 H205 N206 S210 F211 L212 A217L97-M208 HydrophobicContact CD1-CE 4.24Å; L97-M208 HydrophobicContact CD1-SD 4.08Å; L97-M208 HydrophobicContact CD2-CG 3.89Å; L97-M208 HydrophobicContact CD2-SD 4.11Å; L97-M208 HydrophobicContact CG-CG 4.33Å; L97-M208 HydrophobicContact CG-SD 3.88Å; C101-M208 HydrophobicContact CB-CE 3.99Å; C101-M208 HydrophobicContact CB-SD 3.83Å; V109-M208 HydrophobicContact CG2-CE 4.41Å; I202-M208 HydrophobicContact CG2-CE 4.46Å; I202-M208 HydrophobicContact CG2-CG 4.41Å; H205-M208 HydrophobicContact CB-CG 4.22Å; H205-M208 PolarHBondContact O-N 3.17Å; H205-M208 VanDerWaalsContact O-N 3.12Å; N206-M208 PolarHBondContact O-N 3.12Å; M208-S210 VanDerWaalsContact C-N 3.33Å; M208-S210 PolarHBondContact O-N 2.81Å; M208-F211 PolarHBondContact O-N 3.21Å; M208-F211 VanDerWaalsContact O-N 3.08Å; M208-L212 HydrophobicContact CB-CD1 3.97Å; M208-L212 HydrophobicContact CB-CG 4.28Å; M208-L212 HydrophobicContact CE-CD2 4.33Å; M208-L212 HydrophobicContact CE-CG 4.4Å; M208-L212 WeakPolarHBondContact O-CG 3.47Å; M208-L212 PolarHBondContact O-N 3.27Å; M208-A217 HydrophobicContact CE-CB 4.12Å
209A92Very high94.8Very high11 Ų1140.7 Ų40.79%0.09121%0.209CC..Hα-helixtrans-56.2-43.9-169.200000113.5W170 N206 K213W170-A209 HydrophobicContact CD2-CB 4.33Å; W170-A209 HydrophobicContact CE3-CB 4.18Å; W170-A209 HydrophobicContact CH2-CB 3.27Å; W170-A209 HydrophobicContact CZ2-CB 3.43Å; W170-A209 VanDerWaalsContact CZ2-CB 3.43Å; W170-A209 HydrophobicContact CZ3-CB 3.67Å; N206-A209 VanDerWaalsContact O-CB 3.29Å; N206-A209 WeakPolarHBondContact O-CB 3.31Å; N206-A209 PolarHBondContact O-N 3.49Å; A209-K213 WeakPolarHBondContact O-CB 3.33Å; A209-K213 WeakPolarHBondContact O-CD 3.18Å; A209-K213 WeakPolarHBondContact O-CG 3.48Å; A209-K213 PolarHBondContact O-N 2.91Å; A209-K213 VanDerWaalsContact O-N 3.13Å
210S92.6Very high94.7Very high72 Ų7242 Ų4250%0.50322%0.216SC..Hα-helixtrans-67.9-40.2179.753.90000111.6M208 S214M208-S210 VanDerWaalsContact C-N 3.33Å; M208-S210 PolarHBondContact O-N 2.81Å; S210-S214 WeakPolarHBondContact O-CB 3.24Å; S210-S214 PolarHBondContact O-N 2.78Å; S210-S214 PolarHBondContact O-OG 2.86Å
211F96.2Very high94.8Very high39 Ų3941.3 Ų41.317%0.17121%0.212CC..Hα-helixtrans-67.1-46.2179.8-66.7-92.8000111.7C101 C102 F207 M208 S214 D215 K216 A217C101-F211 VanDerWaalsContact O-CE1 3.32Å; C101-F211 WeakPolarHBondContact O-CE1 3.44Å; C102-F211 HydrophobicContact CB-CZ 4.44Å; F207-F211 WeakPolarHBondContact O-CD2 3.39Å; M208-F211 PolarHBondContact O-N 3.21Å; M208-F211 VanDerWaalsContact O-N 3.08Å; F211-S214 PolarHBondContact O-N 2.47Å; F211-D215 PolarHBondContact O-N 2.84Å; F211-K216 HydrophobicContact CB-CB 4.34Å; F211-K216 HydrophobicContact CD1-CB 3.95Å; F211-K216 PolarHBondContact O-N 3.07Å; F211-A217 HydrophobicContact CB-CB 3.83Å; F211-A217 PolarHBondContact O-N 3.01Å
212L96.5Very high94.9Very high12 Ų1242 Ų426%0.06322%0.216CC..Hα-helixtrans-68.2-35.4-179-63.7177.6000113L173 A203 M208 A217 L219L173-L212 HydrophobicContact CD1-CB 4.06Å; L173-L212 HydrophobicContact CD1-CD1 3.92Å; L173-L212 HydrophobicContact CD2-CB 3.98Å; A203-L212 HydrophobicContact CB-CD1 3.94Å; M208-L212 HydrophobicContact CB-CD1 3.97Å; M208-L212 HydrophobicContact CB-CG 4.28Å; M208-L212 HydrophobicContact CE-CD2 4.33Å; M208-L212 HydrophobicContact CE-CG 4.4Å; M208-L212 WeakPolarHBondContact O-CG 3.47Å; M208-L212 PolarHBondContact O-N 3.27Å; L212-A217 HydrophobicContact CD2-CB 4.11Å; L212-A217 WeakPolarHBondContact CD2-O 3.47Å; L212-L219 HydrophobicContact CD1-CD1 4.13Å; L212-L219 HydrophobicContact CD2-CD1 4.11Å; L212-L219 HydrophobicContact CD2-CD2 3.72Å; L212-L219 HydrophobicContact CD2-CG 3.64Å
213K94.9Very high95Very high106 Ų10642 Ų4246%0.46122%0.216SC..Hα-helixtrans-81.2-17.7179.9-70.1176.2-176.6-179.20114.4W170 A209W170-K213 VanDerWaalsContact CD1-CE 3.46Å; W170-K213 VanDerWaalsContact NE1-NZ 3.1Å; A209-K213 WeakPolarHBondContact O-CB 3.33Å; A209-K213 WeakPolarHBondContact O-CD 3.18Å; A209-K213 WeakPolarHBondContact O-CG 3.48Å; A209-K213 PolarHBondContact O-N 2.91Å; A209-K213 VanDerWaalsContact O-N 3.13Å
214S94.7Very high95Very high56 Ų5642 Ų4239%0.39222%0.216SC..THydrogen-bonded Turntrans-108.817.6-179.863.40000112.6S210 F211 K216S210-S214 WeakPolarHBondContact O-CB 3.24Å; S210-S214 PolarHBondContact O-N 2.78Å; S210-S214 PolarHBondContact O-OG 2.86Å; F211-S214 PolarHBondContact O-N 2.47Å; S214-K216 PolarHBondContact O-N 3.28Å; S214-K216 VanDerWaalsContact O-N 3.14Å; S214-K216 WeakPolarHBondContact OG-CD 3.24Å
215D93.5Very high95.2Very high115 Ų11542.1 Ų42.162%0.61522%0.216SC*.THydrogen-bonded Turntrans52.936.2178.5-55.5-37.3000112.8F211 F218F211-D215 PolarHBondContact O-N 2.84Å; D215-F218 HydrophobicContact CB-CE1 3.85Å; D215-F218 HydrophobicContact CB-CZ 3.8Å; D215-F218 WeakPolarHBondContact O-CZ 3.12Å
216K96.2Very high95.3Very high132 Ų13243.2 Ų43.257%0.57422%0.221SC*.SBendtrans-98.9-12.7173.9-65.5-179.2-176.3175.60112.8F211 S214F211-K216 HydrophobicContact CB-CB 4.34Å; F211-K216 HydrophobicContact CD1-CB 3.95Å; F211-K216 PolarHBondContact O-N 3.07Å; S214-K216 PolarHBondContact O-N 3.28Å; S214-K216 VanDerWaalsContact O-N 3.14Å; S214-K216 WeakPolarHBondContact OG-CD 3.24Å
217A97Very high95.3Very high3 Ų346.4 Ų46.43%0.02523%0.232CC..SBendtrans-142.5137.8170.500000109.5P107 M208 F211 L212P107-A217 CarbonylContact O-C 3.51Å; P107-A217 WeakPolarHBondContact O-CA 3.2Å; M208-A217 HydrophobicContact CE-CB 4.12Å; F211-A217 HydrophobicContact CB-CB 3.83Å; F211-A217 PolarHBondContact O-N 3.01Å; L212-A217 HydrophobicContact CD2-CB 4.11Å; L212-A217 WeakPolarHBondContact CD2-O 3.47Å
218F96.5Very high95.3Very high84 Ų8447.7 Ų47.737%0.36824%0.242SC..EExtended strand (participates in β ladder)trans-118.7138.8-179-55.9-81.4000109.9P107 V109 D215 H220P107-F218 PolarHBondContact O-N 2.75Å; V109-F218 PolarHBondContact N-O 3.34Å; D215-F218 HydrophobicContact CB-CE1 3.85Å; D215-F218 HydrophobicContact CB-CZ 3.8Å; D215-F218 WeakPolarHBondContact O-CZ 3.12Å; F218-H220 WeakPolarHBondContact CB-NE2 3.34Å
219L97.4Very high95.1Very high22 Ų2251.7 Ų51.712%0.11527%0.269CS..EExtended strand (participates in β ladder)trans-103.8121.9-177.6-59.9-169.5000109.9V109 L199 I202 A203 L212V109-L219 HydrophobicContact CB-CD2 3.66Å; V109-L219 HydrophobicContact CG1-CD2 3.94Å; V109-L219 HydrophobicContact CG2-CD2 4.16Å; L199-L219 HydrophobicContact CB-CD1 4.41Å; L199-L219 HydrophobicContact CD2-CB 4.25Å; I202-L219 HydrophobicContact CB-CD1 4.38Å; I202-L219 HydrophobicContact CB-CD2 4.44Å; I202-L219 HydrophobicContact CG2-CD1 4.09Å; I202-L219 HydrophobicContact CG2-CD2 3.57Å; A203-L219 HydrophobicContact CB-CD1 4.07Å; L212-L219 HydrophobicContact CD1-CD1 4.13Å; L212-L219 HydrophobicContact CD2-CD1 4.11Å; L212-L219 HydrophobicContact CD2-CD2 3.72Å; L212-L219 HydrophobicContact CD2-CG 3.64Å
220H97.3Very high95.2Very high32 Ų3253.3 Ų53.315%0.14828%0.277CS..EExtended strand (participates in β ladder)trans-123.7141.4179.6-55-78.1000110.8E108 V109 I110 V111 F218 Y233E108-H220 IonicContact OE2-CD2 2.79Å; E108-H220 PolarHBondContact OE2-CD2 3.08Å; E108-H220 IonicContact OE2-NE2 2.72Å; E108-H220 PolarHBondContact OE2-NE2 3.12Å; V109-H220 PolarHBondContact O-N 3.15Å; I110-H220 WeakPolarHBondContact CA-O 3.48Å; I110-H220 HydrophobicContact CG1-CB 4.28Å; I110-H220 HydrophobicContact CG2-CB 4.38Å; V111-H220 PolarHBondContact N-O 3.28Å; F218-H220 WeakPolarHBondContact CB-NE2 3.34Å; H220-Y233 HydrophobicContact CB-CE2 4.08Å; H220-Y233 AromaticContact ND1-CE2 3.53Å; H220-Y233 AromaticContact ND1-CZ 3.64Å; H220-Y233 PolarHBondContact ND1-OH 2.74Å
221A98Very high95.3Very high1 Ų151.1 Ų51.11%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-115.6124.5169.400000109.7V111 L196 L199 F234 F241V111-A221 WeakPolarHBondContact O-CA 3.49Å; L196-A221 HydrophobicContact CD2-CB 3.91Å; L199-A221 HydrophobicContact CD1-CB 3.81Å; L199-A221 HydrophobicContact CD2-CB 4.25Å; L199-A221 HydrophobicContact CG-CB 4.22Å; A221-F234 HydrophobicContact CB-CB 3.8Å; A221-F234 PolarHBondContact O-N 2.9Å; A221-F241 HydrophobicContact CB-CE1 4.12Å; A221-F241 HydrophobicContact CB-CZ 4.07Å
222L97.4Very high95.3Very high17 Ų1749.5 Ų49.59%0.08925%0.253CS..EExtended strand (participates in β ladder)trans-110.9143.7170.3-61.1-177.9000109.3L48 I110 V111 C112 G113 C195 V231 H232 Y233 I244L48-L222 HydrophobicContact CD1-CD1 4.02Å; L48-L222 HydrophobicContact CD2-CD1 3.41Å; L48-L222 VanDerWaalsContact CD2-CD1 3.41Å; L48-L222 HydrophobicContact CG-CD1 4.38Å; I110-L222 HydrophobicContact CG2-CD1 3.71Å; I110-L222 HydrophobicContact CG2-CG 3.83Å; V111-L222 PolarHBondContact O-N 3.23Å; C112-L222 WeakPolarHBondContact CA-O 3.37Å; G113-L222 PolarHBondContact N-O 2.96Å; C195-L222 PolarHBondContact SG-O 3.18Å; L222-V231 HydrophobicContact CB-CG1 4.26Å; L222-V231 HydrophobicContact CD1-CG1 4.47Å; L222-V231 HydrophobicContact CD2-CG1 4.21Å; L222-H232 CarbonylContact C-O 3.49Å; L222-H232 VanDerWaalsContact CA-O 3.29Å; L222-H232 WeakPolarHBondContact CA-O 3.48Å; L222-Y233 HydrophobicContact CD2-CD2 3.67Å; L222-Y233 HydrophobicContact CD2-CG 4.37Å; L222-I244 HydrophobicContact CD2-CD1 3.92Å
223W97.5Very high95.3Very high0 Ų050.3 Ų50.30%026%0.256CS..EExtended strand (participates in β ladder)trans-136.2115.9175.8-173.285.2000110.5G113 W184 D188 S191 Q192 N225 H232 F241G113-W223 WeakPolarHBondContact O-CA 3.33Å; W184-W223 HydrophobicContact CD2-CH2 4.19Å; W184-W223 HydrophobicContact CD2-CZ3 4.38Å; W184-W223 AromaticContact CE3-CH2 3.8Å; W184-W223 HydrophobicContact CE3-CH2 3.8Å; W184-W223 HydrophobicContact CE3-CZ3 4.17Å; W184-W223 AromaticContact CH2-CH2 3.99Å; W184-W223 HydrophobicContact CH2-CH2 3.99Å; W184-W223 AromaticContact CH2-CZ3 3.53Å; W184-W223 HydrophobicContact CH2-CZ3 3.53Å; W184-W223 HydrophobicContact CZ2-CH2 4.33Å; W184-W223 AromaticContact CZ2-CZ3 3.73Å; W184-W223 HydrophobicContact CZ2-CZ3 3.73Å; W184-W223 AromaticContact CZ3-CH2 3.71Å; W184-W223 HydrophobicContact CZ3-CH2 3.71Å; W184-W223 AromaticContact CZ3-CZ3 3.77Å; W184-W223 HydrophobicContact CZ3-CZ3 3.77Å; D188-W223 HydrophobicContact CB-CH2 4.15Å; D188-W223 HydrophobicContact CB-CZ2 3.8Å; S191-W223 PolarHBondContact OG-NE1 3.31Å; Q192-W223 HydrophobicContact CG-CB 4.48Å; Q192-W223 HydrophobicContact CG-CD2 3.61Å; Q192-W223 HydrophobicContact CG-CE3 4.23Å; Q192-W223 HydrophobicContact CG-CG 3.69Å; Q192-W223 HydrophobicContact CG-CZ2 4.16Å; W223-N225 HydrophobicContact CE3-CB 4.44Å; W223-N225 HydrophobicContact CH2-CB 4.05Å; W223-N225 HydrophobicContact CZ3-CB 3.68Å; W223-H232 AromaticContact CE3-ND1 3.87Å; W223-H232 PolarHBondContact N-O 3.38Å; W223-H232 WeakPolarHBondContact O-CB 3.49Å; W223-H232 PolarHBondContact O-N 2.81Å; W223-H232 PolarHBondContact O-ND1 2.82Å; W223-F241 HydrophobicContact CB-CD1 3.74Å; W223-F241 HydrophobicContact CB-CE1 3.55Å; W223-F241 HydrophobicContact CB-CG 4.35Å; W223-F241 HydrophobicContact CB-CZ 4.01Å
224L96.1Very high95.5Very high3 Ų345.4 Ų45.42%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-90.6124.4179.2174.565.6000110.7F42 F47 G113 H114 S115 F226 V231F42-L224 HydrophobicContact CD2-CD2 3.64Å; F42-L224 HydrophobicContact CE2-CB 3.9Å; F42-L224 HydrophobicContact CE2-CD2 3.47Å; F42-L224 VanDerWaalsContact CE2-CD2 3.47Å; F42-L224 HydrophobicContact CE2-CG 4.32Å; F47-L224 HydrophobicContact CD1-CD2 4.42Å; F47-L224 HydrophobicContact CD2-CD2 4.43Å; F47-L224 HydrophobicContact CE1-CD2 4.36Å; F47-L224 HydrophobicContact CE2-CD2 4.37Å; F47-L224 HydrophobicContact CG-CD2 4.47Å; F47-L224 HydrophobicContact CZ-CD2 4.34Å; G113-L224 PolarHBondContact O-N 2.91Å; H114-L224 CarbonylContact C-O 3.56Å; H114-L224 WeakPolarHBondContact CA-O 3.33Å; H114-L224 HydrophobicContact CB-CB 4.23Å; S115-L224 PolarHBondContact N-O 2.86Å; L224-F226 HydrophobicContact CD2-CD1 3.73Å; L224-F226 HydrophobicContact CD2-CE1 3.49Å; L224-F226 VanDerWaalsContact CD2-CE1 3.49Å; L224-F226 HydrophobicContact CD2-CZ 4.46Å; L224-F226 HydrophobicContact CG-CD1 4.23Å; L224-F226 HydrophobicContact CG-CE1 4.37Å; L224-V231 HydrophobicContact CD1-CG2 3.91Å
225N95.6Very high95.6Very high4 Ų442.8 Ų42.82%0.02122%0.216CC..  trans-86.2119164.3-178.418.6000109.9S115 W184 W223 E227 D228 C229 V230S115-N225 PolarHBondContact OG-OD1 3.01Å; S115-N225 VanDerWaalsContact OG-OD1 3.08Å; W184-N225 HydrophobicContact CH2-CB 4.38Å; W184-N225 HydrophobicContact CZ3-CB 4.46Å; W223-N225 HydrophobicContact CE3-CB 4.44Å; W223-N225 HydrophobicContact CH2-CB 4.05Å; W223-N225 HydrophobicContact CZ3-CB 3.68Å; N225-E227 VanDerWaalsContact C-N 3.32Å; N225-E227 PolarHBondContact OD1-N 3.03Å; N225-E227 VanDerWaalsContact OD1-N 3.11Å; N225-D228 WeakPolarHBondContact CB-OD1 3.37Å; N225-D228 PolarHBondContact ND2-OD1 3.4Å; N225-D228 PolarHBondContact ND2-OD2 2.82Å; N225-C229 CarbonylContact O-C 3.45Å; N225-C229 WeakPolarHBondContact O-CA 3.27Å; N225-C229 PolarHBondContact O-N 2.94Å; N225-V230 PolarHBondContact N-O 2.97Å; N225-V230 PolarHBondContact O-N 3.02Å
226F93.1Very high95.6Very high38 Ų3842.4 Ų42.417%0.16721%0.209CC..THydrogen-bonded Turntrans-71.7-22.3176.1-76-42.3000114.2R41 F42 H114 S115 L224R41-F226 HydrophobicContact CB-CE1 4.09Å; R41-F226 HydrophobicContact CB-CE2 4.49Å; R41-F226 HydrophobicContact CB-CZ 3.88Å; F42-F226 HydrophobicContact CB-CZ 4.29Å; F42-F226 HydrophobicContact CD2-CE1 4.27Å; F42-F226 HydrophobicContact CD2-CZ 4.29Å; H114-F226 HydrophobicContact CB-CE2 4.17Å; H114-F226 HydrophobicContact CB-CZ 4.23Å; H114-F226 AromaticContact CE1-CE2 3.84Å; H114-F226 AromaticContact CG-CE2 3.86Å; H114-F226 AromaticContact ND1-CD2 3.97Å; H114-F226 AromaticContact ND1-CE2 3.22Å; H114-F226 WeakPolarHBondContact ND1-CE2 3.49Å; H114-F226 AromaticContact ND1-CZ 3.87Å; S115-F226 WeakPolarHBondContact O-CD2 3.45Å; S115-F226 PolarHBondContact OG-N 3.01Å; L224-F226 HydrophobicContact CD2-CD1 3.73Å; L224-F226 HydrophobicContact CD2-CE1 3.49Å; L224-F226 VanDerWaalsContact CD2-CE1 3.49Å; L224-F226 HydrophobicContact CD2-CZ 4.46Å; L224-F226 HydrophobicContact CG-CD1 4.23Å; L224-F226 HydrophobicContact CG-CE1 4.37Å
227E92Very high95.5Very high176 Ų17642.2 Ų42.282%0.82221%0.208SC*.THydrogen-bonded Turntrans-68.6-46.3-178-173.9176.6-173.500111.6N225N225-E227 VanDerWaalsContact C-N 3.32Å; N225-E227 PolarHBondContact OD1-N 3.03Å; N225-E227 VanDerWaalsContact OD1-N 3.11Å
228D91.8Very high95.5Very high79 Ų7945.8 Ų45.842%0.42222%0.223SC..THydrogen-bonded Turntrans-107.2-3.4-179.661.317.1000113.5N225 V230N225-D228 WeakPolarHBondContact CB-OD1 3.37Å; N225-D228 PolarHBondContact ND2-OD1 3.4Å; N225-D228 PolarHBondContact ND2-OD2 2.82Å; D228-V230 HydrophobicContact CB-CG2 4.13Å; D228-V230 PolarHBondContact O-N 3.01Å; D228-V230 VanDerWaalsContact OD1-CB 3.31Å; D228-V230 WeakPolarHBondContact OD1-CB 3.35Å; D228-V230 WeakPolarHBondContact OD1-CG2 3.19Å; D228-V230 PolarHBondContact OD1-N 3.12Å
229C91.1Very high95.6Very high84 Ų8446.2 Ų46.257%0.56823%0.225SC*.  trans59.523.1-174.8-63.80000114.7N225N225-C229 CarbonylContact O-C 3.45Å; N225-C229 WeakPolarHBondContact O-CA 3.27Å; N225-C229 PolarHBondContact O-N 2.94Å
230V93.5Very high95.6Very high44 Ų4450.3 Ų50.327%0.26724%0.242SC..  trans-87.9126.4179.2178.30000111N225 D228 H232 P243N225-V230 PolarHBondContact N-O 2.97Å; N225-V230 PolarHBondContact O-N 3.02Å; D228-V230 HydrophobicContact CB-CG2 4.13Å; D228-V230 PolarHBondContact O-N 3.01Å; D228-V230 VanDerWaalsContact OD1-CB 3.31Å; D228-V230 WeakPolarHBondContact OD1-CB 3.35Å; D228-V230 WeakPolarHBondContact OD1-CG2 3.19Å; D228-V230 PolarHBondContact OD1-N 3.12Å; V230-H232 PolarHBondContact O-ND1 3.42Å; V230-H232 VanDerWaalsContact O-ND1 3.15Å; V230-P243 HydrophobicContact CG1-CB 3.66Å
231V94.5Very high95.6Very high27 Ų2749.6 Ų49.616%0.16424%0.238CC..EExtended strand (participates in β ladder)trans-82.7127.9169.4-175.60000108.9L222 L224 I244L222-V231 HydrophobicContact CB-CG1 4.26Å; L222-V231 HydrophobicContact CD1-CG1 4.47Å; L222-V231 HydrophobicContact CD2-CG1 4.21Å; L224-V231 HydrophobicContact CD1-CG2 3.91Å; V231-I244 HydrophobicContact CB-CD1 4.29Å; V231-I244 HydrophobicContact CG1-CD1 3.77Å; V231-I244 PolarHBondContact O-N 2.92Å
232H96.7Very high95.5Very high4 Ų450.3 Ų50.32%0.01924%0.242CC..EExtended strand (participates in β ladder)trans-106.9135.4174.7-59.868.2000109.9W184 L222 W223 V230 F241 V242W184-H232 AromaticContact CH2-CE1 3.97Å; W184-H232 AromaticContact CH2-NE2 3.95Å; W184-H232 AromaticContact CZ2-NE2 3.77Å; L222-H232 CarbonylContact C-O 3.49Å; L222-H232 VanDerWaalsContact CA-O 3.29Å; L222-H232 WeakPolarHBondContact CA-O 3.48Å; W223-H232 AromaticContact CE3-ND1 3.87Å; W223-H232 PolarHBondContact N-O 3.38Å; W223-H232 WeakPolarHBondContact O-CB 3.49Å; W223-H232 PolarHBondContact O-N 2.81Å; W223-H232 PolarHBondContact O-ND1 2.82Å; V230-H232 PolarHBondContact O-ND1 3.42Å; V230-H232 VanDerWaalsContact O-ND1 3.15Å; H232-F241 HydrophobicContact CB-CB 3.93Å; H232-F241 HydrophobicContact CB-CD1 4.06Å; H232-F241 HydrophobicContact CB-CG 4.41Å; H232-V242 CarbonylContact C-O 3.4Å; H232-V242 VanDerWaalsContact CA-O 3.24Å; H232-V242 WeakPolarHBondContact CA-O 3.35Å
233Y97Very high95.5Very high29 Ų2951.9 Ų51.911%0.11425%0.254CS..EExtended strand (participates in β ladder)trans-98.5136.2172.3-179.7-92.1000110H220 L222 S235 F241 V242 L252 E255H220-Y233 HydrophobicContact CB-CE2 4.08Å; H220-Y233 AromaticContact ND1-CE2 3.53Å; H220-Y233 AromaticContact ND1-CZ 3.64Å; H220-Y233 PolarHBondContact ND1-OH 2.74Å; L222-Y233 HydrophobicContact CD2-CD2 3.67Å; L222-Y233 HydrophobicContact CD2-CG 4.37Å; Y233-S235 PolarHBondContact O-N 3.43Å; Y233-F241 CarbonylContact O-C 3.58Å; Y233-F241 WeakPolarHBondContact O-CA 2.98Å; Y233-V242 PolarHBondContact N-O 3.02Å; Y233-V242 PolarHBondContact O-N 3.4Å; Y233-L252 HydrophobicContact CD1-CB 4.49Å; Y233-L252 HydrophobicContact CD1-CD1 4.37Å; Y233-L252 HydrophobicContact CD1-CD2 3.63Å; Y233-L252 HydrophobicContact CD1-CG 4.37Å; Y233-L252 HydrophobicContact CE1-CD2 4.22Å; Y233-L252 HydrophobicContact CG-CD1 4.27Å; Y233-L252 HydrophobicContact CG-CD2 4.36Å; Y233-E255 HydrophobicContact CE1-CB 4.47Å
234F97.9Very high95.3Very high4 Ų455.1 Ų55.12%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-75.7106.7171.5178.9-111.6000111F175 E176 A177 L196 A221 K236 F241F175-F234 AromaticContact CD2-CE1 3.59Å; F175-F234 HydrophobicContact CD2-CE1 3.59Å; F175-F234 AromaticContact CD2-CZ 3.76Å; F175-F234 HydrophobicContact CD2-CZ 3.76Å; F175-F234 AromaticContact CE2-CE1 3.77Å; F175-F234 HydrophobicContact CE2-CE1 3.77Å; F175-F234 HydrophobicContact CE2-CZ 4Å; F175-F234 HydrophobicContact CG-CE1 4.5Å; E176-F234 WeakPolarHBondContact O-CZ 3.43Å; A177-F234 HydrophobicContact CB-CE2 3.6Å; A177-F234 HydrophobicContact CB-CZ 3.78Å; L196-F234 HydrophobicContact CD1-CD2 4.14Å; L196-F234 HydrophobicContact CD1-CE2 4Å; L196-F234 HydrophobicContact CD2-CB 3.8Å; L196-F234 HydrophobicContact CD2-CD1 3.61Å; L196-F234 HydrophobicContact CD2-CD2 3.48Å; L196-F234 VanDerWaalsContact CD2-CD2 3.48Å; L196-F234 HydrophobicContact CD2-CE1 4Å; L196-F234 HydrophobicContact CD2-CE2 3.9Å; L196-F234 HydrophobicContact CD2-CG 3.32Å; L196-F234 HydrophobicContact CD2-CZ 4.14Å; L196-F234 HydrophobicContact CG-CD2 4.44Å; A221-F234 HydrophobicContact CB-CB 3.8Å; A221-F234 PolarHBondContact O-N 2.9Å; F234-K236 HydrophobicContact CD1-CG 4.34Å; F234-K236 HydrophobicContact CE1-CG 3.92Å; F234-F241 HydrophobicContact CB-CD1 3.99Å; F234-F241 HydrophobicContact CB-CE1 3.7Å; F234-F241 HydrophobicContact CB-CZ 4.02Å; F234-F241 HydrophobicContact CD2-CD2 4.46Å; F234-F241 HydrophobicContact CD2-CE2 4.45Å
235S97.3Very high95.2Very high0 Ų057.6 Ų57.60%029%0.286CS..EExtended strand (participates in β ladder)trans-83118.5174.8164.90000110.2Y233 K237 K238 K239 K240 E255Y233-S235 PolarHBondContact O-N 3.43Å; S235-K237 VanDerWaalsContact C-N 3.33Å; S235-K238 VanDerWaalsContact OG-CB 3.25Å; S235-K238 WeakPolarHBondContact OG-CB 3.47Å; S235-K238 WeakPolarHBondContact OG-CG 3.43Å; S235-K238 PolarHBondContact OG-N 2.79Å; S235-K239 VanDerWaalsContact O-CA 3.24Å; S235-K239 WeakPolarHBondContact O-CA 3.5Å; S235-K239 PolarHBondContact O-N 2.92Å; S235-K240 PolarHBondContact N-O 2.71Å; S235-K240 PolarHBondContact O-N 2.72Å; S235-E255 WeakPolarHBondContact CA-OE2 3.41Å; S235-E255 WeakPolarHBondContact CB-OE1 3.25Å; S235-E255 PolarHBondContact OG-OE1 3.19Å; S235-E255 PolarHBondContact OG-OE2 2.91Å
236K94.5Very high95Very high107 Ų10762.9 Ų62.947%0.46532%0.323SS..THydrogen-bonded Turntrans-68.4-36.1174.4-74.6-179.3-177.2171.80111.1F234 K239 E255F234-K236 HydrophobicContact CD1-CG 4.34Å; F234-K236 HydrophobicContact CE1-CG 3.92Å; K236-K239 WeakPolarHBondContact O-CG 3.33Å; K236-K239 PolarHBondContact O-N 3.1Å; K236-E255 PolarHBondContact N-OE2 3.37Å
237K94.6Very high94.9Very high128 Ų12868.3 Ų68.356%0.55735%0.349SS*.THydrogen-bonded Turntrans-64.8-45.3177.9-69.3172.4-175.4160.70111.3S235 K239 S254 E255S235-K237 VanDerWaalsContact C-N 3.33Å; K237-K239 VanDerWaalsContact C-N 3.35Å; K237-S254 PolarHBondContact NZ-O 2.65Å; K237-E255 HydrophobicContact CD-CG 4.26Å
238K96.3Very high94.9Very high78 Ų7860.6 Ų60.634%0.33931%0.314SS..THydrogen-bonded Turntrans-87.1-6.1178.9-61.1169.9175.6169.70113S235 K240 V242 E251S235-K238 VanDerWaalsContact OG-CB 3.25Å; S235-K238 WeakPolarHBondContact OG-CB 3.47Å; S235-K238 WeakPolarHBondContact OG-CG 3.43Å; S235-K238 PolarHBondContact OG-N 2.79Å; K238-K240 HydrophobicContact CB-CG 4.1Å; K238-K240 WeakPolarHBondContact O-CG 3.12Å; K238-K240 PolarHBondContact O-N 3.24Å; K238-V242 HydrophobicContact CB-CG2 4.36Å; K238-V242 HydrophobicContact CD-CG2 3.77Å; K238-E251 WeakPolarHBondContact CE-OE1 3.49Å; K238-E251 IonicContact NZ-OE1 3.3Å; K238-E251 PolarHBondContact NZ-OE1 3.5Å; K238-E251 IonicContact NZ-OE2 3.66Å; K238-E251 PolarHBondContact NZ-OE2 2.74Å
239K97.3Very high94.8Very high94 Ų9458.3 Ų58.341%0.40931%0.307SS..THydrogen-bonded Turntrans52.833.4-177.7-57179.8-179.7-176.80113.4E176 A177 S178 S235 K236 K237E176-K239 HydrophobicContact CB-CD 4.02Å; E176-K239 IonicContact OE2-NZ 2.82Å; E176-K239 PolarHBondContact OE2-NZ 3.33Å; A177-K239 CarbonylContact C-O 3.5Å; A177-K239 WeakPolarHBondContact CA-O 3.31Å; S178-K239 PolarHBondContact N-O 3.34Å; S235-K239 VanDerWaalsContact O-CA 3.24Å; S235-K239 WeakPolarHBondContact O-CA 3.5Å; S235-K239 PolarHBondContact O-N 2.92Å; K236-K239 WeakPolarHBondContact O-CG 3.33Å; K236-K239 PolarHBondContact O-N 3.1Å; K237-K239 VanDerWaalsContact C-N 3.35Å
240K97.4Very high94.7Very high108 Ų10857.7 Ų57.747%0.4731%0.307SS..EExtended strand (participates in β ladder)trans-156.9163.1-176.467.6-173.6179.5178.70112.3S235 K238 V242S235-K240 PolarHBondContact N-O 2.71Å; S235-K240 PolarHBondContact O-N 2.72Å; K238-K240 HydrophobicContact CB-CG 4.1Å; K238-K240 WeakPolarHBondContact O-CG 3.12Å; K238-K240 PolarHBondContact O-N 3.24Å; K240-V242 HydrophobicContact CG-CG2 3.95Å; K240-V242 PolarHBondContact O-N 3.03Å
241F97.7Very high94.5Very high17 Ų1759.8 Ų59.88%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-69126.3166.4-78.5-76.1000110.6I179 Q192 C195 L196 A221 W223 H232 Y233 F234I179-F241 HydrophobicContact CD1-CD2 4.43Å; Q192-F241 HydrophobicContact CB-CD2 3.95Å; Q192-F241 HydrophobicContact CB-CE2 3.7Å; Q192-F241 HydrophobicContact CG-CD2 3.87Å; Q192-F241 HydrophobicContact CG-CE2 3.98Å; C195-F241 HydrophobicContact CB-CZ 4.19Å; L196-F241 HydrophobicContact CD1-CE2 3.92Å; L196-F241 HydrophobicContact CD2-CE2 3.88Å; L196-F241 HydrophobicContact CD2-CZ 3.75Å; L196-F241 HydrophobicContact CG-CE2 3.77Å; L196-F241 HydrophobicContact CG-CZ 4Å; A221-F241 HydrophobicContact CB-CE1 4.12Å; A221-F241 HydrophobicContact CB-CZ 4.07Å; W223-F241 HydrophobicContact CB-CD1 3.74Å; W223-F241 HydrophobicContact CB-CE1 3.55Å; W223-F241 HydrophobicContact CB-CG 4.35Å; W223-F241 HydrophobicContact CB-CZ 4.01Å; H232-F241 HydrophobicContact CB-CB 3.93Å; H232-F241 HydrophobicContact CB-CD1 4.06Å; H232-F241 HydrophobicContact CB-CG 4.41Å; Y233-F241 CarbonylContact O-C 3.58Å; Y233-F241 WeakPolarHBondContact O-CA 2.98Å; F234-F241 HydrophobicContact CB-CD1 3.99Å; F234-F241 HydrophobicContact CB-CE1 3.7Å; F234-F241 HydrophobicContact CB-CZ 4.02Å; F234-F241 HydrophobicContact CD2-CD2 4.46Å; F234-F241 HydrophobicContact CD2-CE2 4.45Å
242V96.7Very high94.3Very high15 Ų1559.2 Ų59.29%0.09131%0.31CS..EExtended strand (participates in β ladder)trans-122.4133.4-178.7-179.90000108.4H232 Y233 K238 K240 I244H232-V242 CarbonylContact C-O 3.4Å; H232-V242 VanDerWaalsContact CA-O 3.24Å; H232-V242 WeakPolarHBondContact CA-O 3.35Å; Y233-V242 PolarHBondContact N-O 3.02Å; Y233-V242 PolarHBondContact O-N 3.4Å; K238-V242 HydrophobicContact CB-CG2 4.36Å; K238-V242 HydrophobicContact CD-CG2 3.77Å; K240-V242 HydrophobicContact CG-CG2 3.95Å; K240-V242 PolarHBondContact O-N 3.03Å; V242-I244 PolarHBondContact O-N 3.27Å
243P96.2Very high93.8Very high51 Ų5167 Ų6733%0.33135%0.347SS..EExtended strand (participates in β ladder)trans-60.9136.1178.426.7-35.8000111.3V230 T245 S248V230-P243 HydrophobicContact CG1-CB 3.66Å; P243-T245 HydrophobicContact CB-CG2 4.33Å; P243-T245 PolarHBondContact O-N 2.85Å; P243-S248 PolarHBondContact O-OG 2.8Å
244I94.9Very high93.1Very high67 Ų6769.2 Ų69.234%0.34437%0.366SS..  trans-82.4114.2171.5-55.4177.1000107.6L222 V231 V242 S248 L252L222-I244 HydrophobicContact CD2-CD1 3.92Å; V231-I244 HydrophobicContact CB-CD1 4.29Å; V231-I244 HydrophobicContact CG1-CD1 3.77Å; V231-I244 PolarHBondContact O-N 2.92Å; V242-I244 PolarHBondContact O-N 3.27Å; I244-S248 WeakPolarHBondContact CA-OG 3.33Å; I244-L252 HydrophobicContact CG1-CD1 4Å
245T93.3Very high92.2Very high56 Ų5672.6 Ų72.634%0.34438%0.382SS..  trans-128.9170.6176.175.30000109.2P243 E247 S248 A249P243-T245 HydrophobicContact CB-CG2 4.33Å; P243-T245 PolarHBondContact O-N 2.85Å; T245-E247 WeakPolarHBondContact CB-OE2 3.5Å; T245-E247 PolarHBondContact O-N 3.01Å; T245-E247 PolarHBondContact OG1-N 3.18Å; T245-E247 PolarHBondContact OG1-OE2 3.47Å; T245-S248 PolarHBondContact N-OG 3.28Å; T245-S248 PolarHBondContact O-N 3.07Å; T245-S248 PolarHBondContact OG1-N 3.32Å; T245-A249 WeakPolarHBondContact O-CB 3.43Å; T245-A249 PolarHBondContact O-N 2.78Å
246S90.8Very high92Very high114 Ų11476.2 Ų76.280%0.79740%0.401SS*.THydrogen-bonded Turntrans-57.6-29.9174.9-60.20000112.4
247E90.8Very high91.9Very high153 Ų15374.6 Ų74.672%0.71540%0.398SS*.THydrogen-bonded Turntrans-82-35.2178.8-53.973-15500112.7T245T245-E247 WeakPolarHBondContact CB-OE2 3.5Å; T245-E247 PolarHBondContact O-N 3.01Å; T245-E247 PolarHBondContact OG1-N 3.18Å; T245-E247 PolarHBondContact OG1-OE2 3.47Å
248S91.9Very high91.7Very high13 Ų1371.6 Ų71.69%0.09139%0.389CS..THydrogen-bonded Turntrans-87.1-21.3-177.970.80000113.8P243 I244 T245 A250 E251 L252P243-S248 PolarHBondContact O-OG 2.8Å; I244-S248 WeakPolarHBondContact CA-OG 3.33Å; T245-S248 PolarHBondContact N-OG 3.28Å; T245-S248 PolarHBondContact O-N 3.07Å; T245-S248 PolarHBondContact OG1-N 3.32Å; S248-A250 PolarHBondContact O-N 2.7Å; S248-E251 WeakPolarHBondContact O-CB 3.31Å; S248-E251 PolarHBondContact O-N 2.69Å; S248-E251 VanDerWaalsContact O-N 3.12Å; S248-L252 WeakPolarHBondContact O-CG 3.4Å; S248-L252 PolarHBondContact O-N 3.05Å
249A89.7Confident91.5Very high32 Ų3271.2 Ų71.226%0.26439%0.392SS..Hα-helixtrans-56-44.4-173.800000113.8T245 E251 L252 Q253T245-A249 WeakPolarHBondContact O-CB 3.43Å; T245-A249 PolarHBondContact O-N 2.78Å; A249-E251 VanDerWaalsContact C-N 3.34Å; A249-E251 PolarHBondContact O-N 3.07Å; A249-L252 PolarHBondContact O-N 3.35Å; A249-Q253 WeakPolarHBondContact O-CG 3.49Å; A249-Q253 PolarHBondContact O-N 3.01Å
250A89.2Confident91.1Very high70 Ų7069.8 Ų69.858%0.57939%0.391SS*.Hα-helixtrans-65.7-36.5179.900000112.5S248S248-A250 PolarHBondContact O-N 2.7Å
251E90.7Very high90.7Very high88 Ų8867.3 Ų67.341%0.41139%0.385SS..Hα-helixtrans-66.3-45.2175.6-172.3-170173.300110.4K238 S248 A249 Q253 S254K238-E251 WeakPolarHBondContact CE-OE1 3.49Å; K238-E251 IonicContact NZ-OE1 3.3Å; K238-E251 PolarHBondContact NZ-OE1 3.5Å; K238-E251 IonicContact NZ-OE2 3.66Å; K238-E251 PolarHBondContact NZ-OE2 2.74Å; S248-E251 WeakPolarHBondContact O-CB 3.31Å; S248-E251 PolarHBondContact O-N 2.69Å; S248-E251 VanDerWaalsContact O-N 3.12Å; A249-E251 VanDerWaalsContact C-N 3.34Å; A249-E251 PolarHBondContact O-N 3.07Å; E251-Q253 VanDerWaalsContact C-N 3.33Å; E251-Q253 PolarHBondContact O-N 3.07Å; E251-S254 PolarHBondContact O-N 3.06Å; E251-S254 PolarHBondContact O-OG 2.98Å
252L90.5Very high90.2Very high15 Ų1570.9 Ų70.98%0.07941%0.408CS..Hα-helixtrans-68.6-28.4-176.9-66.1177.4000113.6Y233 I244 S248 A249 S254 E255Y233-L252 HydrophobicContact CD1-CB 4.49Å; Y233-L252 HydrophobicContact CD1-CD1 4.37Å; Y233-L252 HydrophobicContact CD1-CD2 3.63Å; Y233-L252 HydrophobicContact CD1-CG 4.37Å; Y233-L252 HydrophobicContact CE1-CD2 4.22Å; Y233-L252 HydrophobicContact CG-CD1 4.27Å; Y233-L252 HydrophobicContact CG-CD2 4.36Å; I244-L252 HydrophobicContact CG1-CD1 4Å; S248-L252 WeakPolarHBondContact O-CG 3.4Å; S248-L252 PolarHBondContact O-N 3.05Å; A249-L252 PolarHBondContact O-N 3.35Å; L252-S254 PolarHBondContact O-N 2.86Å; L252-E255 PolarHBondContact O-N 3.43Å
253Q86.1Confident89.7Confident169 Ų16975.2 Ų75.279%0.7943%0.432SS*.THydrogen-bonded Turntrans-65.6-17.6173.7-77.3172.6-4.100113.7A249 E251A249-Q253 WeakPolarHBondContact O-CG 3.49Å; A249-Q253 PolarHBondContact O-N 3.01Å; E251-Q253 VanDerWaalsContact C-N 3.33Å; E251-Q253 PolarHBondContact O-N 3.07Å
254S81.2Confident89.1Confident75 Ų7577.2 Ų77.252%0.52444%0.44SS..THydrogen-bonded Turntrans-99.79.1-177.574.90000114K237 E251 L252K237-S254 PolarHBondContact NZ-O 2.65Å; E251-S254 PolarHBondContact O-N 3.06Å; E251-S254 PolarHBondContact O-OG 2.98Å; L252-S254 PolarHBondContact O-N 2.86Å
255E80.4Confident88.6Confident74 Ų7478.1 Ų78.135%0.34645%0.449SS..  trans-79.10-179-74.1-136.3170.200115.3Y233 S235 K236 K237 L252Y233-E255 HydrophobicContact CE1-CB 4.47Å; S235-E255 WeakPolarHBondContact CA-OE2 3.41Å; S235-E255 WeakPolarHBondContact CB-OE1 3.25Å; S235-E255 PolarHBondContact OG-OE1 3.19Å; S235-E255 PolarHBondContact OG-OE2 2.91Å; K236-E255 PolarHBondContact N-OE2 3.37Å; K237-E255 HydrophobicContact CD-CG 4.26Å; L252-E255 PolarHBondContact O-N 3.43Å

Retrieved 255 of 255 residues in 274.2 ms (Link to these results)

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