A0A087X9R7_POEFO Loading...

Proliferation-associated 2G4, a

AlphaFold DB , UniProt , Accession A0A087X9R7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1M34.7Very low69.4Low245 Ų245122.1 Ų122.1100%1.20763%0.634SS**  074.40-68.4173.168.800105.7
2S39Very low71.7Confident111 Ų111119.5 Ų119.578%0.77662%0.617SS**  trans-90.5140-177.444.90000108.1E4S2-E4 PolarHBondContact O-N 3.09Å
3D38.2Very low73.6Confident150 Ų150120.8 Ų120.880%0.80263%0.626SS**  trans-17.9120.4173.2-57.8-45.1000113.6E5D3-E5 PolarHBondContact O-N 3.3Å
4E46.6Very low75.3Confident196 Ų196118.8 Ų118.892%0.91662%0.615SS**  trans-59.592.8163.7-73.9177.7168.800106.5S2 Q6S2-E4 PolarHBondContact O-N 3.09Å; E4-Q6 PolarHBondContact O-N 3.41Å
5E60.3Low76.8Confident187 Ų187110.9 Ų110.987%0.87457%0.574SS**  trans-54109.4172.3-82.4-176.7159.300107D3 E7D3-E5 PolarHBondContact O-N 3.3Å; E5-E7 PolarHBondContact O-N 3.02Å
6Q72Confident78.2Confident184 Ų184104.7 Ų104.786%0.8654%0.543SS*.  trans-57.1124.4-178.8-155164.817.700108.1E4 Q8E4-Q6 PolarHBondContact O-N 3.41Å; Q6-Q8 PolarHBondContact O-N 3.46Å
7E86.5Confident79.3Confident97 Ų97102.4 Ų102.445%0.45353%0.534SS..  trans-53.9115.4-177.3-174.6-179.3169.600109.8E5 T9 K189E5-E7 PolarHBondContact O-N 3.02Å; E7-T9 WeakPolarHBondContact O-CG2 3.4Å; E7-T9 PolarHBondContact O-N 2.92Å; E7-K189 WeakPolarHBondContact OE1-CB 3.15Å; E7-K189 WeakPolarHBondContact OE1-CD 3.39Å; E7-K189 VanDerWaalsContact OE1-CE 3.26Å; E7-K189 WeakPolarHBondContact OE1-CE 3.39Å; E7-K189 WeakPolarHBondContact OE1-CG 3.44Å; E7-K189 IonicContact OE1-NZ 3.9Å; E7-K189 PolarHBondContact OE1-NZ 3.21Å; E7-K189 VanDerWaalsContact OE1-NZ 3.15Å; E7-K189 IonicContact OE2-NZ 3.15Å; E7-K189 PolarHBondContact OE2-NZ 3.48Å
8Q94.9Very high80.4Confident63 Ų6397.2 Ų97.229%0.29451%0.507SS..  trans-70.3127.3176.8-76.2176.751.200109.6Q6 V15 F115Q6-Q8 PolarHBondContact O-N 3.46Å; Q8-V15 HydrophobicContact CB-CG2 3.96Å; Q8-F115 HydrophobicContact CB-CE1 4.41Å; Q8-F115 HydrophobicContact CB-CZ 3.83Å
9T97Very high81.4Confident49 Ų4992.3 Ų92.330%0.30148%0.481SS..  trans-121.8169.8-176.971.10000112E7 A11 E12 V15E7-T9 WeakPolarHBondContact O-CG2 3.4Å; E7-T9 PolarHBondContact O-N 2.92Å; T9-A11 PolarHBondContact O-N 3.01Å; T9-A11 VanDerWaalsContact OG1-CB 3.32Å; T9-A11 WeakPolarHBondContact OG1-CB 3.47Å; T9-A11 PolarHBondContact OG1-N 2.94Å; T9-E12 PolarHBondContact O-N 3.13Å; T9-V15 VanDerWaalsContact O-CB 3.31Å; T9-V15 WeakPolarHBondContact O-CB 3.35Å; T9-V15 WeakPolarHBondContact O-CG1 3.43Å; T9-V15 WeakPolarHBondContact O-CG2 3.44Å
10I97.3Very high82.2Confident4 Ų492.1 Ų92.12%0.02148%0.476CS..THydrogen-bonded Turntrans-69.6817457.3162.3000113.8V15 V16 Y19 H219 V221 L322 M324I10-V15 HydrophobicContact CG2-CG1 3.95Å; I10-V16 HydrophobicContact CB-CG2 3.85Å; I10-V16 HydrophobicContact CG2-CG2 4.23Å; I10-V16 WeakPolarHBondContact O-CG2 3.44Å; I10-Y19 HydrophobicContact CG2-CD2 3.58Å; I10-Y19 HydrophobicContact CG2-CE2 3.57Å; I10-H219 HydrophobicContact CD1-CB 4.5Å; I10-H219 VanDerWaalsContact CG1-CA 3.5Å; I10-H219 HydrophobicContact CG1-CB 3.86Å; I10-H219 VanDerWaalsContact CG1-O 3.23Å; I10-H219 WeakPolarHBondContact CG1-O 3.37Å; I10-V221 HydrophobicContact CD1-CG2 3.96Å; I10-V221 HydrophobicContact CG1-CG2 4.21Å; I10-V221 HydrophobicContact CG2-CG2 3.7Å; I10-L322 HydrophobicContact CB-CD2 4.43Å; I10-L322 HydrophobicContact CD1-CB 3.8Å; I10-L322 HydrophobicContact CD1-CD2 4.47Å; I10-L322 HydrophobicContact CD1-CG 4.06Å; I10-L322 HydrophobicContact CG2-CD2 3.83Å; I10-L322 HydrophobicContact CG2-CG 4.07Å; I10-M324 HydrophobicContact CB-SD 4.46Å; I10-M324 HydrophobicContact CD1-SD 3.83Å
11A96.4Very high83Confident57 Ų5790.1 Ų90.147%0.47147%0.466SS..THydrogen-bonded Turntrans-65.9-24161.300000111.8T9T9-A11 PolarHBondContact O-N 3.01Å; T9-A11 VanDerWaalsContact OG1-CB 3.32Å; T9-A11 WeakPolarHBondContact OG1-CB 3.47Å; T9-A11 PolarHBondContact OG1-N 2.94Å
12E97.5Very high86Confident91 Ų9178.5 Ų78.543%0.42541%0.408SS..SBendtrans-95.2130.6178.2-64.5175.8-126.300111.9T9 L14 V15 V16T9-E12 PolarHBondContact O-N 3.13Å; E12-L14 VanDerWaalsContact C-N 3.25Å; E12-L14 PolarHBondContact O-N 3.32Å; E12-V15 HydrophobicContact CB-CB 4.28Å; E12-V15 HydrophobicContact CB-CG2 3.88Å; E12-V15 WeakPolarHBondContact O-CB 3.38Å; E12-V15 PolarHBondContact O-N 3.3Å; E12-V15 VanDerWaalsContact O-N 3.11Å; E12-V16 PolarHBondContact O-N 2.93Å; E12-V16 VanDerWaalsContact O-N 3.16Å
13D96.8Very high88.9Confident137 Ų13773.2 Ų73.273%0.73337%0.371SS*.Hα-helixtrans-60.8-33.6-178.1-74.3-25.1000113.2V16 T17D13-V16 PolarHBondContact O-N 3.34Å; D13-T17 WeakPolarHBondContact O-CB 3.43Å; D13-T17 PolarHBondContact O-N 3.08Å; D13-T17 PolarHBondContact O-OG1 2.92Å
14L96.8Very high91.7Very high92 Ų9270.5 Ų70.548%0.48236%0.357SS..Hα-helixtrans-67.4-39.4177.8-178.160.4000111.4E12 T17 K18E12-L14 VanDerWaalsContact C-N 3.25Å; E12-L14 PolarHBondContact O-N 3.32Å; L14-T17 WeakPolarHBondContact O-CB 3.39Å; L14-T17 PolarHBondContact O-N 3.03Å; L14-K18 WeakPolarHBondContact O-CG 2.89Å; L14-K18 PolarHBondContact O-N 2.73Å
15V98.1Very high94.2Very high0 Ų061.8 Ų61.80%032%0.316CS..Hα-helixtrans-63.1-45.9175.9175.30000110.1Q8 T9 I10 E12 T17 K18 Y19 F115Q8-V15 HydrophobicContact CB-CG2 3.96Å; T9-V15 VanDerWaalsContact O-CB 3.31Å; T9-V15 WeakPolarHBondContact O-CB 3.35Å; T9-V15 WeakPolarHBondContact O-CG1 3.43Å; T9-V15 WeakPolarHBondContact O-CG2 3.44Å; I10-V15 HydrophobicContact CG2-CG1 3.95Å; E12-V15 HydrophobicContact CB-CB 4.28Å; E12-V15 HydrophobicContact CB-CG2 3.88Å; E12-V15 WeakPolarHBondContact O-CB 3.38Å; E12-V15 PolarHBondContact O-N 3.3Å; E12-V15 VanDerWaalsContact O-N 3.11Å; V15-T17 VanDerWaalsContact C-N 3.25Å; V15-T17 PolarHBondContact O-N 3.3Å; V15-K18 PolarHBondContact O-N 2.76Å; V15-Y19 HydrophobicContact CG1-CD2 3.84Å; V15-Y19 HydrophobicContact CG1-CE2 3.76Å; V15-Y19 WeakPolarHBondContact O-CD2 3.42Å; V15-Y19 PolarHBondContact O-N 2.96Å; V15-F115 HydrophobicContact CB-CE1 4.44Å; V15-F115 HydrophobicContact CB-CZ 4.25Å; V15-F115 HydrophobicContact CG1-CD1 3.75Å; V15-F115 HydrophobicContact CG1-CD2 4.49Å; V15-F115 HydrophobicContact CG1-CE1 3.4Å; V15-F115 VanDerWaalsContact CG1-CE1 3.4Å; V15-F115 HydrophobicContact CG1-CE2 4.22Å; V15-F115 HydrophobicContact CG1-CG 4.27Å; V15-F115 HydrophobicContact CG1-CZ 3.67Å; V15-F115 HydrophobicContact CG2-CE1 4.29Å; V15-F115 HydrophobicContact CG2-CE2 4.23Å; V15-F115 HydrophobicContact CG2-CZ 3.74Å
16V98.2Very high96.1Very high12 Ų1252.9 Ų52.97%0.07328%0.275CS..Hα-helixtrans-58.5-39174.2177.90000111.5I10 E12 D13 Y19 K20 L322 M324I10-V16 HydrophobicContact CB-CG2 3.85Å; I10-V16 HydrophobicContact CG2-CG2 4.23Å; I10-V16 WeakPolarHBondContact O-CG2 3.44Å; E12-V16 PolarHBondContact O-N 2.93Å; E12-V16 VanDerWaalsContact O-N 3.16Å; D13-V16 PolarHBondContact O-N 3.34Å; V16-Y19 PolarHBondContact O-N 3.5Å; V16-K20 HydrophobicContact CG1-CD 4.12Å; V16-K20 HydrophobicContact CG1-CG 4.44Å; V16-K20 WeakPolarHBondContact O-CB 3.27Å; V16-K20 WeakPolarHBondContact O-CG 3.47Å; V16-K20 PolarHBondContact O-N 2.95Å; V16-L322 HydrophobicContact CG1-CD2 4.17Å; V16-L322 HydrophobicContact CG2-CD2 4.41Å; V16-M324 HydrophobicContact CG2-CE 4.01Å; V16-M324 HydrophobicContact CG2-SD 4.29Å
17T98.1Very high97.3Very high65 Ų6546 Ų4640%0.39925%0.246SC..Hα-helixtrans-63.9-45.3177.4-600000111.5D13 L14 V15 K20 M21D13-T17 WeakPolarHBondContact O-CB 3.43Å; D13-T17 PolarHBondContact O-N 3.08Å; D13-T17 PolarHBondContact O-OG1 2.92Å; L14-T17 WeakPolarHBondContact O-CB 3.39Å; L14-T17 PolarHBondContact O-N 3.03Å; V15-T17 VanDerWaalsContact C-N 3.25Å; V15-T17 PolarHBondContact O-N 3.3Å; T17-K20 PolarHBondContact O-N 3.49Å; T17-M21 HydrophobicContact CG2-CG 4.44Å; T17-M21 HydrophobicContact CG2-SD 3.96Å; T17-M21 WeakPolarHBondContact O-CB 2.66Å; T17-M21 VanDerWaalsContact O-CG 3.29Å; T17-M21 WeakPolarHBondContact O-CG 3.44Å; T17-M21 PolarHBondContact O-N 2.97Å
18K98.5Very high97.9Very high10 Ų1045.9 Ų45.94%0.04325%0.245CC..Hα-helixtrans-60.3-45.7176.3-68.7169.9179.4174.90111.6L14 V15 M21 G22 F62 V112 D113 F115L14-K18 WeakPolarHBondContact O-CG 2.89Å; L14-K18 PolarHBondContact O-N 2.73Å; V15-K18 PolarHBondContact O-N 2.76Å; K18-M21 PolarHBondContact O-N 2.85Å; K18-G22 PolarHBondContact O-N 3.19Å; K18-F62 HydrophobicContact CG-CZ 4.22Å; K18-V112 HydrophobicContact CB-CB 4.34Å; K18-V112 HydrophobicContact CB-CG1 4.2Å; K18-V112 HydrophobicContact CG-CG1 4.16Å; K18-D113 HydrophobicContact CD-CB 3.94Å; K18-D113 IonicContact NZ-OD2 3.61Å; K18-D113 PolarHBondContact NZ-OD2 3.22Å; K18-F115 HydrophobicContact CB-CD2 3.89Å; K18-F115 HydrophobicContact CD-CD2 3.61Å; K18-F115 HydrophobicContact CD-CE2 3.65Å; K18-F115 HydrophobicContact CG-CD2 4.41Å
19Y98.8Very high98.1Very high4 Ų442.9 Ų42.92%0.01623%0.231CC..Hα-helixtrans-58.4-48.9173.9-90-67.8000112.7I10 V15 V16 M21 G22 G23 F115 I116 V221 L322 I331I10-Y19 HydrophobicContact CG2-CD2 3.58Å; I10-Y19 HydrophobicContact CG2-CE2 3.57Å; V15-Y19 HydrophobicContact CG1-CD2 3.84Å; V15-Y19 HydrophobicContact CG1-CE2 3.76Å; V15-Y19 WeakPolarHBondContact O-CD2 3.42Å; V15-Y19 PolarHBondContact O-N 2.96Å; V16-Y19 PolarHBondContact O-N 3.5Å; Y19-M21 PolarHBondContact O-N 3.24Å; Y19-G22 PolarHBondContact O-N 3.49Å; Y19-G23 PolarHBondContact O-N 2.95Å; Y19-F115 HydrophobicContact CD1-CB 4.03Å; Y19-F115 HydrophobicContact CD2-CB 3.96Å; Y19-F115 HydrophobicContact CD2-CD1 4.08Å; Y19-F115 HydrophobicContact CD2-CG 4.17Å; Y19-F115 HydrophobicContact CE1-CB 3.88Å; Y19-F115 HydrophobicContact CE2-CB 3.8Å; Y19-F115 AromaticContact CE2-CD1 3.33Å; Y19-F115 HydrophobicContact CE2-CD1 3.33Å; Y19-F115 HydrophobicContact CE2-CE1 4.2Å; Y19-F115 AromaticContact CE2-CG 3.83Å; Y19-F115 HydrophobicContact CE2-CG 3.83Å; Y19-F115 HydrophobicContact CG-CB 4.07Å; Y19-F115 AromaticContact CZ-CD1 3.63Å; Y19-I116 WeakPolarHBondContact CD1-O 3.45Å; Y19-I116 WeakPolarHBondContact CE1-O 3.37Å; Y19-V221 HydrophobicContact CD1-CG1 4.45Å; Y19-V221 HydrophobicContact CE1-CB 4.49Å; Y19-V221 HydrophobicContact CE1-CG1 3.82Å; Y19-V221 HydrophobicContact CE1-CG2 4.4Å; Y19-V221 HydrophobicContact CE2-CG2 3.99Å; Y19-L322 HydrophobicContact CD1-CD1 4.48Å; Y19-L322 HydrophobicContact CG-CD1 4.41Å; Y19-L322 HydrophobicContact CG-CD2 4.47Å; Y19-I331 HydrophobicContact CD1-CD1 4.18Å; Y19-I331 WeakPolarHBondContact O-CD1 3.36Å
20K98.4Very high98.2Very high88 Ų8840.7 Ų40.738%0.38322%0.217SC..Hα-helixtrans-62.2-43.9179.5-77179176.5178.40112.1V16 T17 G22 G23 D24 H329 I331V16-K20 HydrophobicContact CG1-CD 4.12Å; V16-K20 HydrophobicContact CG1-CG 4.44Å; V16-K20 WeakPolarHBondContact O-CB 3.27Å; V16-K20 WeakPolarHBondContact O-CG 3.47Å; V16-K20 PolarHBondContact O-N 2.95Å; T17-K20 PolarHBondContact O-N 3.49Å; K20-G22 PolarHBondContact O-N 2.81Å; K20-G23 PolarHBondContact O-N 3.3Å; K20-G23 VanDerWaalsContact O-N 3.16Å; K20-D24 PolarHBondContact O-N 3.26Å; K20-H329 WeakPolarHBondContact CE-NE2 3.28Å; K20-I331 HydrophobicContact CG-CG2 4.12Å
21M98.3Very high98.2Very high51 Ų5148.4 Ų48.425%0.25125%0.246SC..Hα-helixtrans-61.4-44.3176.4-71.8176.565.700111.9T17 K18 Y19 G23 D24 I25 V61 F62T17-M21 HydrophobicContact CG2-CG 4.44Å; T17-M21 HydrophobicContact CG2-SD 3.96Å; T17-M21 WeakPolarHBondContact O-CB 2.66Å; T17-M21 VanDerWaalsContact O-CG 3.29Å; T17-M21 WeakPolarHBondContact O-CG 3.44Å; T17-M21 PolarHBondContact O-N 2.97Å; K18-M21 PolarHBondContact O-N 2.85Å; Y19-M21 PolarHBondContact O-N 3.24Å; M21-G23 VanDerWaalsContact C-N 3.33Å; M21-G23 PolarHBondContact O-N 3.42Å; M21-D24 PolarHBondContact O-N 3.34Å; M21-I25 WeakPolarHBondContact O-CG1 3.46Å; M21-I25 PolarHBondContact O-N 2.96Å; M21-I25 VanDerWaalsContact O-N 3.11Å; M21-V61 HydrophobicContact CE-CB 3.51Å; M21-V61 HydrophobicContact CE-CG1 3.42Å; M21-V61 VanDerWaalsContact CE-CG1 3.42Å; M21-V61 HydrophobicContact CE-CG2 4.23Å; M21-F62 HydrophobicContact CE-CD2 3.97Å; M21-F62 HydrophobicContact CE-CE2 3.37Å; M21-F62 HydrophobicContact CE-CZ 4.03Å; M21-F62 HydrophobicContact SD-CE2 3.46Å; M21-F62 WeakPolarHBondContact SD-CE2 3.41Å; M21-F62 HydrophobicContact SD-CZ 3.64Å
22G98.7Very high98.3Very high0 Ų050.2 Ų50.20%024%0.244CC..Hα-helixtrans-59.7-43.4172.600000112.3K18 Y19 K20 I25 A26K18-G22 PolarHBondContact O-N 3.19Å; Y19-G22 PolarHBondContact O-N 3.49Å; K20-G22 PolarHBondContact O-N 2.81Å; G22-I25 PolarHBondContact O-N 2.86Å; G22-A26 WeakPolarHBondContact O-CB 3.5Å; G22-A26 PolarHBondContact O-N 2.81Å
23G98.8Very high98.4Very high0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-64.6-38.5178.700000114.1Y19 K20 M21 A26 T27Y19-G23 PolarHBondContact O-N 2.95Å; K20-G23 PolarHBondContact O-N 3.3Å; K20-G23 VanDerWaalsContact O-N 3.16Å; M21-G23 VanDerWaalsContact C-N 3.33Å; M21-G23 PolarHBondContact O-N 3.42Å; G23-A26 PolarHBondContact O-N 3.25Å; G23-T27 VanDerWaalsContact O-CB 3.29Å; G23-T27 WeakPolarHBondContact O-CB 3.47Å; G23-T27 PolarHBondContact O-N 3.47Å; G23-T27 PolarHBondContact O-OG1 3.35Å
24D98.6Very high98.4Very high94 Ų9441.3 Ų41.350%0.50320%0.2SC..Hα-helixtrans-66.6-42.2175.2-72.5-24.1000111.4K20 M21 Q28K20-D24 PolarHBondContact O-N 3.26Å; M21-D24 PolarHBondContact O-N 3.34Å; D24-Q28 WeakPolarHBondContact O-CB 3.37Å; D24-Q28 VanDerWaalsContact O-CG 3.27Å; D24-Q28 WeakPolarHBondContact O-CG 3.3Å; D24-Q28 PolarHBondContact O-N 2.9Å; D24-Q28 PolarHBondContact O-NE2 2.88Å
25I98.8Very high98.5Very high12 Ų1241 Ų416%0.06220%0.196CC..Hα-helixtrans-65.1-46.3175.7-65169000110.1M21 G22 T27 Q28 A29 E57 T58 V61 V110M21-I25 WeakPolarHBondContact O-CG1 3.46Å; M21-I25 PolarHBondContact O-N 2.96Å; M21-I25 VanDerWaalsContact O-N 3.11Å; G22-I25 PolarHBondContact O-N 2.86Å; I25-T27 PolarHBondContact O-N 3.38Å; I25-Q28 PolarHBondContact O-N 3.46Å; I25-A29 WeakPolarHBondContact O-CB 3.21Å; I25-A29 PolarHBondContact O-N 3.2Å; I25-E57 HydrophobicContact CD1-CB 4.24Å; I25-E57 HydrophobicContact CG1-CB 4.12Å; I25-E57 HydrophobicContact CG2-CB 3.77Å; I25-E57 HydrophobicContact CG2-CG 4.5Å; I25-T58 HydrophobicContact CD1-CG2 4.03Å; I25-T58 HydrophobicContact CG2-CG2 4.47Å; I25-V61 HydrophobicContact CD1-CG2 4.49Å; I25-V110 HydrophobicContact CB-CG1 4.31Å; I25-V110 HydrophobicContact CB-CG2 4.45Å; I25-V110 HydrophobicContact CG2-CG1 4.22Å; I25-V110 HydrophobicContact CG2-CG2 4.02Å
26A98.8Very high98.5Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-60.2-45.5178.600000111.6G22 G23 Q28 A29 L30 L108 V110 V119 T332G22-A26 WeakPolarHBondContact O-CB 3.5Å; G22-A26 PolarHBondContact O-N 2.81Å; G23-A26 PolarHBondContact O-N 3.25Å; A26-Q28 VanDerWaalsContact C-N 3.32Å; A26-Q28 PolarHBondContact O-N 3.4Å; A26-A29 PolarHBondContact O-N 3.13Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 3.44Å; A26-L108 HydrophobicContact CB-CD1 4.01Å; A26-V110 HydrophobicContact CB-CB 4.27Å; A26-V110 HydrophobicContact CB-CG2 3.75Å; A26-V119 HydrophobicContact CB-CG1 4.02Å; A26-T332 HydrophobicContact CB-CG2 4.19Å
27T98.7Very high98.5Very high41 Ų4142.5 Ų42.525%0.25221%0.21SC..Hα-helixtrans-61.7-40.3177.8-62.10000111.7G23 I25 R31 N333G23-T27 VanDerWaalsContact O-CB 3.29Å; G23-T27 WeakPolarHBondContact O-CB 3.47Å; G23-T27 PolarHBondContact O-N 3.47Å; G23-T27 PolarHBondContact O-OG1 3.35Å; I25-T27 PolarHBondContact O-N 3.38Å; T27-R31 WeakPolarHBondContact O-CB 3.3Å; T27-R31 PolarHBondContact O-N 2.9Å; T27-N333 WeakPolarHBondContact CG2-O 3.45Å; T27-N333 PolarHBondContact OG1-N 3.07Å
28Q98.6Very high98.5Very high94 Ų9445.9 Ų45.944%0.43922%0.219SC..Hα-helixtrans-71.6-40.5176.7-72.1175.969.500112.7D24 I25 A26 L30 R31 K32 Y53D24-Q28 WeakPolarHBondContact O-CB 3.37Å; D24-Q28 VanDerWaalsContact O-CG 3.27Å; D24-Q28 WeakPolarHBondContact O-CG 3.3Å; D24-Q28 PolarHBondContact O-N 2.9Å; D24-Q28 PolarHBondContact O-NE2 2.88Å; I25-Q28 PolarHBondContact O-N 3.46Å; A26-Q28 VanDerWaalsContact C-N 3.32Å; A26-Q28 PolarHBondContact O-N 3.4Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-R31 PolarHBondContact O-N 2.76Å; Q28-K32 WeakPolarHBondContact O-CG 3.41Å; Q28-K32 PolarHBondContact O-N 3.35Å; Q28-Y53 HydrophobicContact CB-CE1 3.84Å; Q28-Y53 WeakPolarHBondContact CB-OH 3.46Å; Q28-Y53 PolarHBondContact OE1-OH 3.42Å
29A98.8Very high98.5Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-58.3-48.5174.100000110.3I25 A26 R31 K32 V33 Y53 I54 L108I25-A29 WeakPolarHBondContact O-CB 3.21Å; I25-A29 PolarHBondContact O-N 3.2Å; A26-A29 PolarHBondContact O-N 3.13Å; A29-R31 VanDerWaalsContact C-N 3.34Å; A29-R31 PolarHBondContact O-N 2.8Å; A29-K32 WeakPolarHBondContact O-CB 3.42Å; A29-K32 PolarHBondContact O-N 2.87Å; A29-K32 VanDerWaalsContact O-N 3.14Å; A29-V33 WeakPolarHBondContact O-CG2 3.44Å; A29-V33 PolarHBondContact O-N 3.26Å; A29-Y53 HydrophobicContact CB-CD1 3.62Å; A29-Y53 HydrophobicContact CB-CE1 4.21Å; A29-Y53 HydrophobicContact CB-CG 4.46Å; A29-I54 HydrophobicContact CB-CD1 4.43Å; A29-I54 HydrophobicContact CB-CG1 3.84Å; A29-L108 HydrophobicContact CB-CD1 4.14Å; A29-L108 HydrophobicContact CB-CD2 3.93Å
30L98.8Very high98.4Very high3 Ų350.4 Ų50.42%0.01626%0.264CS..Hα-helixtrans-56.2-49.7176.4173.463.7000111.1A26 Q28 K32 V33 V34 I106 L108 V119 H121A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 3.44Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 3.3Å; L30-V33 PolarHBondContact O-N 2.95Å; L30-V34 HydrophobicContact CD1-CG2 4.08Å; L30-V34 HydrophobicContact CG-CG2 4.37Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.14Å; L30-I106 HydrophobicContact CD1-CB 3.71Å; L30-I106 HydrophobicContact CD1-CD1 4.43Å; L30-I106 HydrophobicContact CD1-CG2 3.57Å; L30-L108 HydrophobicContact CB-CD2 4.42Å; L30-V119 HydrophobicContact CB-CG1 3.97Å; L30-V119 HydrophobicContact CD2-CB 4.44Å; L30-V119 HydrophobicContact CD2-CG1 4.02Å; L30-V119 HydrophobicContact CD2-CG2 3.6Å; L30-H121 HydrophobicContact CD1-CB 4.04Å; L30-H121 HydrophobicContact CD2-CB 3.75Å; L30-H121 HydrophobicContact CG-CB 4.4Å
31R98.4Very high98.4Very high166 Ų16649 Ų4963%0.62626%0.26SS*.Hα-helixtrans-57.7-42.3178.2179.8178.3168.4175.9-0.4111.9T27 Q28 A29 V34 E35T27-R31 WeakPolarHBondContact O-CB 3.3Å; T27-R31 PolarHBondContact O-N 2.9Å; Q28-R31 PolarHBondContact O-N 2.76Å; A29-R31 VanDerWaalsContact C-N 3.34Å; A29-R31 PolarHBondContact O-N 2.8Å; R31-V34 PolarHBondContact O-N 3.18Å; R31-E35 HydrophobicContact CG-CG 4.37Å; R31-E35 IonicContact CZ-OE1 3.11Å; R31-E35 IonicContact NE-OE1 3.18Å; R31-E35 PolarHBondContact NE-OE1 2.97Å; R31-E35 IonicContact NH2-OE1 2.65Å; R31-E35 PolarHBondContact NH2-OE1 3.03Å; R31-E35 WeakPolarHBondContact O-CB 3.5Å; R31-E35 VanDerWaalsContact O-CG 3.3Å; R31-E35 WeakPolarHBondContact O-CG 3.29Å; R31-E35 PolarHBondContact O-N 3.25Å
32K98.3Very high98.5Very high95 Ų9548 Ų4841%0.41326%0.259SS..Hα-helixtrans-62.5-42.8177.5-73.7-69.2176-162.90112.5Q28 A29 L30 E35 A36 Y53Q28-K32 WeakPolarHBondContact O-CG 3.41Å; Q28-K32 PolarHBondContact O-N 3.35Å; A29-K32 WeakPolarHBondContact O-CB 3.42Å; A29-K32 PolarHBondContact O-N 2.87Å; A29-K32 VanDerWaalsContact O-N 3.14Å; L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 3.3Å; K32-E35 IonicContact NZ-OE2 2.81Å; K32-E35 PolarHBondContact O-N 3.21Å; K32-A36 WeakPolarHBondContact O-CB 3.33Å; K32-A36 PolarHBondContact O-N 2.54Å; K32-A36 VanDerWaalsContact O-N 3.12Å; K32-Y53 HydrophobicContact CD-CE2 4.47Å; K32-Y53 HydrophobicContact CG-CD2 3.97Å; K32-Y53 HydrophobicContact CG-CE2 3.8Å
33V98.6Very high98.5Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-68.1-41.6178-1750000110.5A29 L30 A36 A37 L46 V49 T76 I106A29-V33 WeakPolarHBondContact O-CG2 3.44Å; A29-V33 PolarHBondContact O-N 3.26Å; L30-V33 PolarHBondContact O-N 2.95Å; V33-A36 PolarHBondContact O-N 3.05Å; V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 2.99Å; V33-L46 HydrophobicContact CG1-CB 4.02Å; V33-L46 HydrophobicContact CG1-CD2 4.25Å; V33-V49 HydrophobicContact CG2-CG1 4.48Å; V33-T76 HydrophobicContact CG2-CG2 4.4Å; V33-I106 HydrophobicContact CB-CD1 3.95Å; V33-I106 HydrophobicContact CB-CG2 4.2Å; V33-I106 HydrophobicContact CG1-CD1 3.53Å; V33-I106 HydrophobicContact CG1-CG1 3.97Å; V33-I106 HydrophobicContact CG1-CG2 3.96Å
34V98.2Very high98.4Very high41 Ų4149.2 Ų49.225%0.24827%0.265CS..Hα-helixtrans-60.4-46.4174.5173.30000111.5L30 R31 A36 A37 I106 F123L30-V34 HydrophobicContact CD1-CG2 4.08Å; L30-V34 HydrophobicContact CG-CG2 4.37Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.14Å; R31-V34 PolarHBondContact O-N 3.18Å; V34-A36 PolarHBondContact O-N 3.48Å; V34-A37 PolarHBondContact O-N 3.44Å; V34-I106 HydrophobicContact CB-CD1 4.32Å; V34-I106 HydrophobicContact CG2-CD1 3.55Å; V34-F123 HydrophobicContact CG1-CD1 4.42Å; V34-F123 HydrophobicContact CG1-CE1 4.42Å; V34-F123 HydrophobicContact CG1-CZ 4.48Å; V34-F123 HydrophobicContact CG2-CD1 4.21Å; V34-F123 HydrophobicContact CG2-CE1 4.02Å
35E97.6Very high98.4Very high85 Ų8546.7 Ų46.740%0.39726%0.255SS..Hα-helixtrans-62.5-31.1178.6-75.6172.9178.600112.7R31 K32 K38R31-E35 HydrophobicContact CG-CG 4.37Å; R31-E35 IonicContact CZ-OE1 3.11Å; R31-E35 IonicContact NE-OE1 3.18Å; R31-E35 PolarHBondContact NE-OE1 2.97Å; R31-E35 IonicContact NH2-OE1 2.65Å; R31-E35 PolarHBondContact NH2-OE1 3.03Å; R31-E35 WeakPolarHBondContact O-CB 3.5Å; R31-E35 VanDerWaalsContact O-CG 3.3Å; R31-E35 WeakPolarHBondContact O-CG 3.29Å; R31-E35 PolarHBondContact O-N 3.25Å; K32-E35 IonicContact NZ-OE2 2.81Å; K32-E35 PolarHBondContact O-N 3.21Å; E35-K38 WeakPolarHBondContact O-CE 3.29Å
36A98.1Very high98.4Very high37 Ų3746.1 Ų46.131%0.30625%0.252SS..Hα-helixtrans-82-24.1177.400000113.4K32 V33 V34 K38 L46K32-A36 WeakPolarHBondContact O-CB 3.33Å; K32-A36 PolarHBondContact O-N 2.54Å; K32-A36 VanDerWaalsContact O-N 3.12Å; V33-A36 PolarHBondContact O-N 3.05Å; V34-A36 PolarHBondContact O-N 3.48Å; A36-K38 PolarHBondContact O-N 2.74Å; A36-L46 HydrophobicContact CB-CD2 3.67Å
37A98.1Very high98.4Very high7 Ų746.1 Ų46.16%0.05825%0.252CS..  trans-76.589.2-174.300000112.3V33 V34 L46 L98 F123V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 2.99Å; V34-A37 PolarHBondContact O-N 3.44Å; A37-L46 HydrophobicContact CB-CD1 3.88Å; A37-L46 HydrophobicContact CB-CD2 4.23Å; A37-L98 HydrophobicContact CB-CD1 3.81Å; A37-F123 HydrophobicContact CB-CE2 4.09Å; A37-F123 HydrophobicContact CB-CZ 3.54Å
38K97.9Very high98.4Very high135 Ų13547.7 Ų47.759%0.58726%0.257SS*.  trans-120162.8178.2-61177.5-176.1176.80110.7E35 A36 G40 I41 L98E35-K38 WeakPolarHBondContact O-CE 3.29Å; A36-K38 PolarHBondContact O-N 2.74Å; K38-G40 PolarHBondContact O-N 3.21Å; K38-I41 HydrophobicContact CB-CG1 4.08Å; K38-I41 VanDerWaalsContact O-CB 3.28Å; K38-I41 WeakPolarHBondContact O-CB 3.28Å; K38-I41 VanDerWaalsContact O-CG1 3.31Å; K38-I41 WeakPolarHBondContact O-CG1 3.38Å; K38-I41 PolarHBondContact O-N 3.02Å; K38-I41 VanDerWaalsContact O-N 3.11Å; K38-L98 WeakPolarHBondContact O-CB 3.35Å
39A98.4Very high98.4Very high54 Ų5446.2 Ų46.245%0.44625%0.254SS..THydrogen-bonded Turntrans-55.1137.2171.800000110.6L98 D100 V125A39-L98 CarbonylContact C-O 3.56Å; A39-L98 WeakPolarHBondContact CA-O 3.26Å; A39-D100 HydrophobicContact CB-CB 4.35Å; A39-V125 HydrophobicContact CB-CG1 4.22Å
40G98.3Very high98.4Very high55 Ų5546.2 Ų46.257%0.56725%0.254SS*.THydrogen-bonded Turntrans86.5-4.5-175.200000115.1K38 L98K38-G40 PolarHBondContact O-N 3.21Å; G40-L98 PolarHBondContact N-O 3.42Å
41I98.6Very high98.4Very high58 Ų5847 Ų4730%0.29726%0.258SS..  trans-88.2137.5-179.9-58.6-61.6000111.3K38 L46 L98K38-I41 HydrophobicContact CB-CG1 4.08Å; K38-I41 VanDerWaalsContact O-CB 3.28Å; K38-I41 WeakPolarHBondContact O-CB 3.28Å; K38-I41 VanDerWaalsContact O-CG1 3.31Å; K38-I41 WeakPolarHBondContact O-CG1 3.38Å; K38-I41 PolarHBondContact O-N 3.02Å; K38-I41 VanDerWaalsContact O-N 3.11Å; I41-L46 HydrophobicContact CG2-CD1 4.13Å; I41-L46 HydrophobicContact CG2-CD2 3.88Å; I41-L46 HydrophobicContact CG2-CG 3.81Å; I41-L98 PolarHBondContact O-N 2.86Å
42S98.6Very high98.5Very high32 Ų3241.6 Ų41.622%0.22425%0.249CC..BIsolated β-bridgetrans-69.7133175.7153.20000111.7L44 S45 L46 D95S42-L44 PolarHBondContact OG-N 2.8Å; S42-S45 PolarHBondContact O-N 3.05Å; S42-S45 PolarHBondContact O-OG 3.02Å; S42-S45 PolarHBondContact OG-N 3.18Å; S42-L46 WeakPolarHBondContact O-CG 3.26Å; S42-L46 PolarHBondContact O-N 3.31Å; S42-D95 WeakPolarHBondContact CB-OD2 3.13Å; S42-D95 PolarHBondContact OG-OD2 3.24Å
43V98.7Very high98.5Very high0 Ų039.1 Ų39.10%024%0.237CC..Hα-helixtrans-63.9-43.3173.9159.60000111.4S45 L46 C47 V78 V80 F87 P89 D95 Y96 L98V43-S45 VanDerWaalsContact C-N 3.26Å; V43-S45 PolarHBondContact O-N 3.38Å; V43-L46 WeakPolarHBondContact O-CB 3.07Å; V43-L46 PolarHBondContact O-N 3.37Å; V43-L46 VanDerWaalsContact O-N 3.08Å; V43-C47 PolarHBondContact O-N 3.04Å; V43-V78 HydrophobicContact CG1-CB 3.81Å; V43-V78 HydrophobicContact CG1-CG1 4.3Å; V43-V78 HydrophobicContact CG2-CB 4.44Å; V43-V78 HydrophobicContact CG2-CG1 4Å; V43-V80 HydrophobicContact CG2-CG2 4.22Å; V43-F87 HydrophobicContact CB-CE1 4.31Å; V43-F87 HydrophobicContact CG1-CD1 3.68Å; V43-F87 HydrophobicContact CG1-CE1 3.6Å; V43-P89 HydrophobicContact CG1-CG 4.12Å; V43-D95 PolarHBondContact N-OD1 3.07Å; V43-Y96 WeakPolarHBondContact CB-O 3.47Å; V43-Y96 HydrophobicContact CG2-CD1 4.06Å; V43-Y96 HydrophobicContact CG2-CG 4.47Å; V43-Y96 WeakPolarHBondContact CG2-O 3.49Å; V43-Y96 PolarHBondContact N-O 3.5Å; V43-L98 HydrophobicContact CG2-CD2 3.94Å; V43-L98 HydrophobicContact CG2-CG 4.41Å
44L98.6Very high98.5Very high25 Ų2539.1 Ų39.113%0.13124%0.237CC..Hα-helixtrans-51.5-46.8173175.957.3000111.8S42 L46 C47 E48 P89 K91 D95S42-L44 PolarHBondContact OG-N 2.8Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 2.72Å; L44-C47 WeakPolarHBondContact O-CB 3.42Å; L44-C47 PolarHBondContact O-N 3.01Å; L44-E48 HydrophobicContact CD1-CG 4.43Å; L44-E48 PolarHBondContact O-N 3.35Å; L44-P89 HydrophobicContact CB-CG 4.07Å; L44-P89 HydrophobicContact CD1-CG 4.47Å; L44-P89 WeakPolarHBondContact CD1-O 3.1Å; L44-K91 HydrophobicContact CD2-CG 4.32Å; L44-D95 PolarHBondContact N-OD1 3.25Å
45S98.6Very high98.5Very high40 Ų4042 Ų4228%0.2825%0.25SC..Hα-helixtrans-63-36.6179.876.50000112.7S42 V43 E48 V49S42-S45 PolarHBondContact O-N 3.05Å; S42-S45 PolarHBondContact O-OG 3.02Å; S42-S45 PolarHBondContact OG-N 3.18Å; V43-S45 VanDerWaalsContact C-N 3.26Å; V43-S45 PolarHBondContact O-N 3.38Å; S45-E48 PolarHBondContact O-N 3.48Å; S45-V49 VanDerWaalsContact O-CG2 3.26Å; S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 2.9Å
46L98.8Very high98.6Very high1 Ų141.6 Ų41.61%0.00525%0.253CS..Hα-helixtrans-67.5-40176.5-68.3172.6000111.9V33 A36 A37 I41 S42 V43 L44 V49 G50 V78 L98V33-L46 HydrophobicContact CG1-CB 4.02Å; V33-L46 HydrophobicContact CG1-CD2 4.25Å; A36-L46 HydrophobicContact CB-CD2 3.67Å; A37-L46 HydrophobicContact CB-CD1 3.88Å; A37-L46 HydrophobicContact CB-CD2 4.23Å; I41-L46 HydrophobicContact CG2-CD1 4.13Å; I41-L46 HydrophobicContact CG2-CD2 3.88Å; I41-L46 HydrophobicContact CG2-CG 3.81Å; S42-L46 WeakPolarHBondContact O-CG 3.26Å; S42-L46 PolarHBondContact O-N 3.31Å; V43-L46 WeakPolarHBondContact O-CB 3.07Å; V43-L46 PolarHBondContact O-N 3.37Å; V43-L46 VanDerWaalsContact O-N 3.08Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 2.72Å; L46-V49 PolarHBondContact O-N 3.49Å; L46-G50 PolarHBondContact O-N 2.62Å; L46-V78 HydrophobicContact CB-CG2 4.1Å; L46-V78 HydrophobicContact CD1-CG1 4.45Å; L46-L98 HydrophobicContact CD1-CD1 3.59Å; L46-L98 HydrophobicContact CD1-CG 4.35Å
47C98.8Very high98.6Very high0 Ų041.8 Ų41.80%025%0.247CC..Hα-helixtrans-60.5-45.7173.5-690000111.5V43 L44 V49 G50 D51 T76V43-C47 PolarHBondContact O-N 3.04Å; L44-C47 WeakPolarHBondContact O-CB 3.42Å; L44-C47 PolarHBondContact O-N 3.01Å; C47-V49 PolarHBondContact O-N 3.31Å; C47-G50 PolarHBondContact O-N 3.47Å; C47-D51 PolarHBondContact O-N 3.34Å; C47-D51 VanDerWaalsContact O-N 3.08Å; C47-T76 PolarHBondContact SG-O 3.05Å
48E98.6Very high98.6Very high74 Ų7441.6 Ų41.635%0.34625%0.245SC..Hα-helixtrans-63.9-38.9177.2-69.8-176.8148.500112.3L44 S45 A52 K91L44-E48 HydrophobicContact CD1-CG 4.43Å; L44-E48 PolarHBondContact O-N 3.35Å; S45-E48 PolarHBondContact O-N 3.48Å; E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.98Å; E48-K91 VanDerWaalsContact OE1-CE 3.28Å; E48-K91 WeakPolarHBondContact OE1-CE 3.41Å; E48-K91 IonicContact OE1-NZ 2.74Å
49V98.6Very high98.5Very high63 Ų6337.1 Ų37.138%0.38224%0.237SC..Hα-helixtrans-60.2-47.4175.1165.40000111.5V33 S45 L46 C47 Y53V33-V49 HydrophobicContact CG2-CG1 4.48Å; S45-V49 VanDerWaalsContact O-CG2 3.26Å; S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 2.9Å; L46-V49 PolarHBondContact O-N 3.49Å; C47-V49 PolarHBondContact O-N 3.31Å; V49-Y53 WeakPolarHBondContact O-CB 3.14Å; V49-Y53 PolarHBondContact O-N 2.86Å
50G98.8Very high98.5Very high0 Ų039.6 Ų39.60%024%0.238CC..Hα-helixtrans-63-50.1179.800000112.2L46 C47 A52 Y53 I54 T76L46-G50 PolarHBondContact O-N 2.62Å; C47-G50 PolarHBondContact O-N 3.47Å; G50-A52 PolarHBondContact O-N 3.44Å; G50-Y53 PolarHBondContact O-N 3.33Å; G50-I54 WeakPolarHBondContact O-CG1 3.26Å; G50-I54 PolarHBondContact O-N 3.2Å; G50-T76 WeakPolarHBondContact CA-OG1 3.26Å
51D98.8Very high98.3Very high18 Ų1838.5 Ų38.510%0.09622%0.22CC..Hα-helixtrans-62.5-44.3-179.5-67.8-11.9000111.5C47 Y53 I54 M55 I72 T76 R279C47-D51 PolarHBondContact O-N 3.34Å; C47-D51 VanDerWaalsContact O-N 3.08Å; D51-Y53 VanDerWaalsContact C-N 3.34Å; D51-Y53 PolarHBondContact O-N 3.39Å; D51-I54 PolarHBondContact O-N 2.99Å; D51-M55 WeakPolarHBondContact O-CG 3.31Å; D51-M55 PolarHBondContact O-N 3.27Å; D51-I72 HydrophobicContact CB-CD1 3.77Å; D51-T76 PolarHBondContact N-OG1 3.09Å; D51-T76 VanDerWaalsContact OD1-CB 3.26Å; D51-T76 WeakPolarHBondContact OD1-CB 3.39Å; D51-T76 PolarHBondContact OD1-N 3.29Å; D51-T76 PolarHBondContact OD1-OG1 2.92Å; D51-R279 IonicContact OD2-CZ 3.99Å; D51-R279 IonicContact OD2-NH2 2.99Å; D51-R279 PolarHBondContact OD2-NH2 3.38Å
52A98.8Very high98Very high54 Ų5437.6 Ų37.645%0.44621%0.214SC..Hα-helixtrans-63.4-39.7178.400000112.2E48 G50 T56E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.98Å; G50-A52 PolarHBondContact O-N 3.44Å; A52-T56 WeakPolarHBondContact O-CB 3.43Å; A52-T56 PolarHBondContact O-N 2.91Å; A52-T56 PolarHBondContact O-OG1 2.76Å
53Y98.8Very high97.8Very high42 Ų4243.1 Ų43.117%0.16523%0.234CC..Hα-helixtrans-62.6-48.1175.8-172.1-87.3000111.2Q28 A29 K32 V49 G50 D51 M55 T56 E57Q28-Y53 HydrophobicContact CB-CE1 3.84Å; Q28-Y53 WeakPolarHBondContact CB-OH 3.46Å; Q28-Y53 PolarHBondContact OE1-OH 3.42Å; A29-Y53 HydrophobicContact CB-CD1 3.62Å; A29-Y53 HydrophobicContact CB-CE1 4.21Å; A29-Y53 HydrophobicContact CB-CG 4.46Å; K32-Y53 HydrophobicContact CD-CE2 4.47Å; K32-Y53 HydrophobicContact CG-CD2 3.97Å; K32-Y53 HydrophobicContact CG-CE2 3.8Å; V49-Y53 WeakPolarHBondContact O-CB 3.14Å; V49-Y53 PolarHBondContact O-N 2.86Å; G50-Y53 PolarHBondContact O-N 3.33Å; D51-Y53 VanDerWaalsContact C-N 3.34Å; D51-Y53 PolarHBondContact O-N 3.39Å; Y53-M55 PolarHBondContact O-N 3.11Å; Y53-T56 PolarHBondContact O-N 2.77Å; Y53-E57 HydrophobicContact CD1-CG 3.9Å; Y53-E57 HydrophobicContact CE1-CB 4.46Å; Y53-E57 HydrophobicContact CE1-CG 3.43Å; Y53-E57 VanDerWaalsContact CE1-CG 3.43Å; Y53-E57 HydrophobicContact CE2-CG 4.2Å; Y53-E57 HydrophobicContact CG-CG 4.47Å; Y53-E57 PolarHBondContact O-N 3.42Å
54I98.8Very high97.6Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-57.8-49.7178.7-67.1166.9000110.6A29 G50 D51 T56 E57 T58 I72 L108 V110A29-I54 HydrophobicContact CB-CD1 4.43Å; A29-I54 HydrophobicContact CB-CG1 3.84Å; G50-I54 WeakPolarHBondContact O-CG1 3.26Å; G50-I54 PolarHBondContact O-N 3.2Å; D51-I54 PolarHBondContact O-N 2.99Å; I54-T56 VanDerWaalsContact C-N 3.31Å; I54-T56 PolarHBondContact O-N 3.19Å; I54-E57 PolarHBondContact O-N 3.3Å; I54-T58 HydrophobicContact CG2-CG2 4.18Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 VanDerWaalsContact O-CG2 3.29Å; I54-T58 WeakPolarHBondContact O-CG2 3.47Å; I54-T58 PolarHBondContact O-N 2.99Å; I54-T58 PolarHBondContact O-OG1 3.32Å; I54-I72 HydrophobicContact CB-CG1 4.07Å; I54-I72 HydrophobicContact CD1-CG1 4.38Å; I54-I72 HydrophobicContact CG2-CB 4.46Å; I54-I72 HydrophobicContact CG2-CG1 3.64Å; I54-L108 HydrophobicContact CD1-CB 4.29Å; I54-L108 HydrophobicContact CD1-CD1 4.18Å; I54-V110 HydrophobicContact CB-CG2 4.47Å; I54-V110 HydrophobicContact CD1-CG2 4.09Å; I54-V110 HydrophobicContact CG1-CG2 3.88Å; I54-V110 HydrophobicContact CG2-CG1 4.41Å; I54-V110 HydrophobicContact CG2-CG2 3.84Å
55M98.4Very high97.4Very high103 Ų10355.8 Ų55.851%0.50729%0.29SS..Hα-helixtrans-62.6-38.9-179.8-66.9-54.4-60.700112.1D51 Y53 T58 G59 I72D51-M55 WeakPolarHBondContact O-CG 3.31Å; D51-M55 PolarHBondContact O-N 3.27Å; Y53-M55 PolarHBondContact O-N 3.11Å; M55-T58 PolarHBondContact O-OG1 3.12Å; M55-G59 PolarHBondContact O-N 2.62Å; M55-G59 VanDerWaalsContact O-N 3.13Å; M55-I72 HydrophobicContact CG-CD1 3.98Å; M55-I72 HydrophobicContact CG-CG1 4.32Å; M55-I72 HydrophobicContact SD-CD1 3.98Å; M55-I72 HydrophobicContact SD-CG1 3.9Å
56T98.5Very high97Very high76 Ų7662.9 Ų62.947%0.46632%0.315SS..Hα-helixtrans-65.8-48.1178-61.30000112.1A52 Y53 I54 G59 K60A52-T56 WeakPolarHBondContact O-CB 3.43Å; A52-T56 PolarHBondContact O-N 2.91Å; A52-T56 PolarHBondContact O-OG1 2.76Å; Y53-T56 PolarHBondContact O-N 2.77Å; I54-T56 VanDerWaalsContact C-N 3.31Å; I54-T56 PolarHBondContact O-N 3.19Å; T56-G59 PolarHBondContact O-N 3.44Å; T56-K60 WeakPolarHBondContact O-CG 3.47Å
57E98.5Very high96.7Very high41 Ų4171.2 Ų71.219%0.19235%0.354CS..Hα-helixtrans-73.3-39.7-177.3-66.4-48.6126.800112.7I25 Y53 I54 G59 K60I25-E57 HydrophobicContact CD1-CB 4.24Å; I25-E57 HydrophobicContact CG1-CB 4.12Å; I25-E57 HydrophobicContact CG2-CB 3.77Å; I25-E57 HydrophobicContact CG2-CG 4.5Å; Y53-E57 HydrophobicContact CD1-CG 3.9Å; Y53-E57 HydrophobicContact CE1-CB 4.46Å; Y53-E57 HydrophobicContact CE1-CG 3.43Å; Y53-E57 VanDerWaalsContact CE1-CG 3.43Å; Y53-E57 HydrophobicContact CE2-CG 4.2Å; Y53-E57 HydrophobicContact CG-CG 4.47Å; Y53-E57 PolarHBondContact O-N 3.42Å; I54-E57 PolarHBondContact O-N 3.3Å; E57-G59 VanDerWaalsContact C-N 3.26Å; E57-G59 PolarHBondContact O-N 3.17Å; E57-K60 VanDerWaalsContact CD-NZ 3.34Å; E57-K60 WeakPolarHBondContact O-CB 3.28Å; E57-K60 PolarHBondContact O-N 3.01Å; E57-K60 IonicContact OE1-NZ 3.42Å; E57-K60 PolarHBondContact OE1-NZ 3.49Å; E57-K60 WeakPolarHBondContact OE2-CD 3.48Å; E57-K60 IonicContact OE2-NZ 3.85Å; E57-K60 PolarHBondContact OE2-NZ 3.14Å
58T97.9Very high96.5Very high2 Ų272.4 Ų72.41%0.01236%0.36CS..Hα-helixtrans-64.5-32174.9540000112.1I25 I54 M55 K60 V61 K70 V110I25-T58 HydrophobicContact CD1-CG2 4.03Å; I25-T58 HydrophobicContact CG2-CG2 4.47Å; I54-T58 HydrophobicContact CG2-CG2 4.18Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 VanDerWaalsContact O-CG2 3.29Å; I54-T58 WeakPolarHBondContact O-CG2 3.47Å; I54-T58 PolarHBondContact O-N 2.99Å; I54-T58 PolarHBondContact O-OG1 3.32Å; M55-T58 PolarHBondContact O-OG1 3.12Å; T58-K60 PolarHBondContact O-N 3.2Å; T58-V61 VanDerWaalsContact O-CG2 3.28Å; T58-V61 WeakPolarHBondContact O-CG2 3.39Å; T58-V61 PolarHBondContact O-N 2.94Å; T58-K70 VanDerWaalsContact O-CD 3.31Å; T58-K70 WeakPolarHBondContact O-CD 3.36Å; T58-K70 VanDerWaalsContact O-CE 3.29Å; T58-K70 WeakPolarHBondContact O-CE 3.47Å; T58-V110 HydrophobicContact CG2-CG1 3.66Å
59G97Very high96.3Very high41 Ų4173.5 Ų73.542%0.42336%0.364SS..THydrogen-bonded Turntrans-65.3-1717100000114.5M55 T56 E57 K63M55-G59 PolarHBondContact O-N 2.62Å; M55-G59 VanDerWaalsContact O-N 3.13Å; T56-G59 PolarHBondContact O-N 3.44Å; E57-G59 VanDerWaalsContact C-N 3.26Å; E57-G59 PolarHBondContact O-N 3.17Å; G59-K63 VanDerWaalsContact O-CE 3.29Å; G59-K63 WeakPolarHBondContact O-CE 3.47Å
60K97Very high96.3Very high107 Ų10772.9 Ų72.947%0.46536%0.356SS..THydrogen-bonded Turntrans-86.2-23.7179.6-67.5171.8-169.7171.50113.7T56 E57 T58 K63T56-K60 WeakPolarHBondContact O-CG 3.47Å; E57-K60 VanDerWaalsContact CD-NZ 3.34Å; E57-K60 WeakPolarHBondContact O-CB 3.28Å; E57-K60 PolarHBondContact O-N 3.01Å; E57-K60 IonicContact OE1-NZ 3.42Å; E57-K60 PolarHBondContact OE1-NZ 3.49Å; E57-K60 WeakPolarHBondContact OE2-CD 3.48Å; E57-K60 IonicContact OE2-NZ 3.85Å; E57-K60 PolarHBondContact OE2-NZ 3.14Å; T58-K60 PolarHBondContact O-N 3.2Å; K60-K63 VanDerWaalsContact CA-CE 3.48Å; K60-K63 WeakPolarHBondContact O-CE 3.43Å
61V94.9Very high96.2Very high31 Ų3173 Ų7319%0.18836%0.357CS..SBendtrans-96.4153.3-176.4-60.70000111.6M21 I25 T58 K63 K70M21-V61 HydrophobicContact CE-CB 3.51Å; M21-V61 HydrophobicContact CE-CG1 3.42Å; M21-V61 VanDerWaalsContact CE-CG1 3.42Å; M21-V61 HydrophobicContact CE-CG2 4.23Å; I25-V61 HydrophobicContact CD1-CG2 4.49Å; T58-V61 VanDerWaalsContact O-CG2 3.28Å; T58-V61 WeakPolarHBondContact O-CG2 3.39Å; T58-V61 PolarHBondContact O-N 2.94Å; V61-K63 VanDerWaalsContact C-N 3.27Å; V61-K63 PolarHBondContact O-N 2.9Å; V61-K63 VanDerWaalsContact O-N 3.12Å; V61-K70 HydrophobicContact CG2-CD 4.42Å; V61-K70 WeakPolarHBondContact O-CE 3.33Å; V61-K70 PolarHBondContact O-NZ 2.83Å
62F93.3Very high96.2Very high39 Ų3973.8 Ų73.817%0.17136%0.361CS..SBendtrans4940.7176.8-60.3-79.7000114.6K18 M21 K64 E65 M68 K70 V112K18-F62 HydrophobicContact CG-CZ 4.22Å; M21-F62 HydrophobicContact CE-CD2 3.97Å; M21-F62 HydrophobicContact CE-CE2 3.37Å; M21-F62 HydrophobicContact CE-CZ 4.03Å; M21-F62 HydrophobicContact SD-CE2 3.46Å; M21-F62 WeakPolarHBondContact SD-CE2 3.41Å; M21-F62 HydrophobicContact SD-CZ 3.64Å; F62-K64 PolarHBondContact O-N 3.39Å; F62-E65 WeakPolarHBondContact CD1-OE2 3.37Å; F62-E65 PolarHBondContact O-N 2.9Å; F62-M68 HydrophobicContact CB-SD 3.68Å; F62-M68 HydrophobicContact CD1-CE 4.27Å; F62-M68 HydrophobicContact CD1-SD 4.16Å; F62-M68 HydrophobicContact CD2-SD 3.97Å; F62-M68 HydrophobicContact CG-CE 4.39Å; F62-M68 HydrophobicContact CG-SD 3.67Å; F62-K70 PolarHBondContact O-NZ 3.35Å; F62-V112 HydrophobicContact CD2-CG1 3.76Å; F62-V112 HydrophobicContact CE2-CG1 3.66Å
63K93.6Very high96.2Very high148 Ų14871.2 Ų71.264%0.64334%0.34SS*.THydrogen-bonded Turntrans-65.1-23.5-176.3-66.5-173.6-178.7-175.80114.4G59 K60 V61 E65G59-K63 VanDerWaalsContact O-CE 3.29Å; G59-K63 WeakPolarHBondContact O-CE 3.47Å; K60-K63 VanDerWaalsContact CA-CE 3.48Å; K60-K63 WeakPolarHBondContact O-CE 3.43Å; V61-K63 VanDerWaalsContact C-N 3.27Å; V61-K63 PolarHBondContact O-N 2.9Å; V61-K63 VanDerWaalsContact O-N 3.12Å; K63-E65 VanDerWaalsContact C-N 3.33Å
64K94.8Very high96.2Very high204 Ų20469.5 Ų69.589%0.88733%0.333SS*.THydrogen-bonded Turntrans-77.2-22.7-179.8-65.4-175.9179.9-179.90112F62 K66F62-K64 PolarHBondContact O-N 3.39Å; K64-K66 PolarHBondContact O-N 3.4Å
65E93.9Very high96.2Very high88 Ų8869.6 Ų69.641%0.41133%0.334SS..  trans-9687.2179.5-69.1145.1-13400109.2F62 K63 E67 M68F62-E65 WeakPolarHBondContact CD1-OE2 3.37Å; F62-E65 PolarHBondContact O-N 2.9Å; K63-E65 VanDerWaalsContact C-N 3.33Å; E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 2.9Å; E65-M68 HydrophobicContact CB-CB 3.96Å; E65-M68 PolarHBondContact O-N 2.95Å; E65-M68 WeakPolarHBondContact OE2-CE 3.45Å
66K90.3Very high96.3Very high188 Ų18864.7 Ų64.782%0.81731%0.309SS*.THydrogen-bonded Turntrans-66-30-172.5-66.4-175.4179.1179.90113.9K64K64-K66 PolarHBondContact O-N 3.4Å
67E91.8Very high96.3Very high176 Ų17661.1 Ų61.182%0.82229%0.288SS*.THydrogen-bonded Turntrans-88.4-8.4-178-55.4-53.5132.900113E65 K69E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 2.9Å; E67-K69 PolarHBondContact O-N 2.67Å
68M94.8Very high96.3Very high25 Ų2559.1 Ų59.112%0.12328%0.278CS..  trans-69.8119.8-179178.5179.7-7800110.8F62 E65 V112 D113F62-M68 HydrophobicContact CB-SD 3.68Å; F62-M68 HydrophobicContact CD1-CE 4.27Å; F62-M68 HydrophobicContact CD1-SD 4.16Å; F62-M68 HydrophobicContact CD2-SD 3.97Å; F62-M68 HydrophobicContact CG-CE 4.39Å; F62-M68 HydrophobicContact CG-SD 3.67Å; E65-M68 HydrophobicContact CB-CB 3.96Å; E65-M68 PolarHBondContact O-N 2.95Å; E65-M68 WeakPolarHBondContact OE2-CE 3.45Å; M68-V112 HydrophobicContact SD-CG1 4.02Å; M68-D113 HydrophobicContact CE-CB 3.87Å; M68-D113 HydrophobicContact CG-CB 3.86Å; M68-D113 HydrophobicContact SD-CB 4.01Å
69K95.6Very high96.3Very high98 Ų9859.2 Ų59.243%0.42628%0.279SS..  trans-73.7127.1175.5-59.9-173-170.9-178.10110.5E67 D113 D272E67-K69 PolarHBondContact O-N 2.67Å; K69-D113 VanDerWaalsContact O-CA 3.24Å; K69-D113 WeakPolarHBondContact O-CA 3.42Å; K69-D113 PolarHBondContact O-N 2.89Å; K69-D272 IonicContact NZ-OD1 2.92Å; K69-D272 IonicContact NZ-OD2 3.9Å; K69-D272 PolarHBondContact NZ-OD2 3.22Å
70K97.3Very high96.4Very high49 Ų4957.8 Ų57.821%0.21326%0.262CS..EExtended strand (participates in β ladder)trans-154149.6177.961.6-159.8173.2-158.40110.3T58 V61 F62 H111T58-K70 VanDerWaalsContact O-CD 3.31Å; T58-K70 WeakPolarHBondContact O-CD 3.36Å; T58-K70 VanDerWaalsContact O-CE 3.29Å; T58-K70 WeakPolarHBondContact O-CE 3.47Å; V61-K70 HydrophobicContact CG2-CD 4.42Å; V61-K70 WeakPolarHBondContact O-CE 3.33Å; V61-K70 PolarHBondContact O-NZ 2.83Å; F62-K70 PolarHBondContact O-NZ 3.35Å; K70-H111 WeakPolarHBondContact CA-O 3.47Å
71G98.3Very high96.5Very high2 Ų253.9 Ų53.92%0.02125%0.246CC..EExtended strand (participates in β ladder)trans149.9-144.9-177.400000112.7V110 H111G71-V110 WeakPolarHBondContact O-CA 3.36Å; G71-H111 PolarHBondContact N-O 3.32Å; G71-H111 PolarHBondContact O-CD2 3.06Å; G71-H111 PolarHBondContact O-N 3.26Å
72I98.8Very high96.7Very high36 Ų3654.1 Ų54.119%0.18525%0.247CC..EExtended strand (participates in β ladder)trans-74.9121.9-178.8-62.8167.9000109.4D51 I54 M55 F74 P75 H111D51-I72 HydrophobicContact CB-CD1 3.77Å; I54-I72 HydrophobicContact CB-CG1 4.07Å; I54-I72 HydrophobicContact CD1-CG1 4.38Å; I54-I72 HydrophobicContact CG2-CB 4.46Å; I54-I72 HydrophobicContact CG2-CG1 3.64Å; M55-I72 HydrophobicContact CG-CD1 3.98Å; M55-I72 HydrophobicContact CG-CG1 4.32Å; M55-I72 HydrophobicContact SD-CD1 3.98Å; M55-I72 HydrophobicContact SD-CG1 3.9Å; I72-F74 VanDerWaalsContact CG2-C 3.45Å; I72-F74 WeakPolarHBondContact CG2-O 3.27Å; I72-P75 HydrophobicContact CG2-CB 4.37Å; I72-H111 PolarHBondContact O-CD2 3.41Å
73A98.8Very high96.9Very high0 Ų052.6 Ų52.60%024%0.24CC..EExtended strand (participates in β ladder)trans-95.1-27.3170.100000112.3G109 H111 I116 M274 P275A73-G109 PolarHBondContact N-O 3.34Å; A73-H111 HydrophobicContact CB-CB 3.92Å; A73-I116 HydrophobicContact CB-CB 4.48Å; A73-I116 HydrophobicContact CB-CG1 4.16Å; A73-I116 HydrophobicContact CB-CG2 3.81Å; A73-M274 HydrophobicContact CB-SD 4.1Å; A73-P275 VanDerWaalsContact O-CD 3.23Å; A73-P275 WeakPolarHBondContact O-CD 3.31Å
74F98.9Very high97.2Very high6 Ų645.5 Ų45.53%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-146.2124.5171.4-165.1-91.2000108.1I72 H86 G109 I244 P275 F303I72-F74 VanDerWaalsContact CG2-C 3.45Å; I72-F74 WeakPolarHBondContact CG2-O 3.27Å; F74-H86 AromaticContact CE1-ND1 3.99Å; F74-H86 AromaticContact CZ-CE1 3.79Å; F74-H86 AromaticContact CZ-ND1 3.4Å; F74-H86 WeakPolarHBondContact CZ-ND1 3.46Å; F74-G109 PolarHBondContact N-O 3.03Å; F74-G109 PolarHBondContact O-N 2.81Å; F74-I244 HydrophobicContact CE1-CD1 4.24Å; F74-I244 HydrophobicContact CE2-CG2 4.29Å; F74-I244 HydrophobicContact CZ-CD1 4.15Å; F74-I244 HydrophobicContact CZ-CG2 4.27Å; F74-P275 HydrophobicContact CD2-CB 3.78Å; F74-P275 HydrophobicContact CD2-CG 3.95Å; F74-P275 HydrophobicContact CE2-CB 4.15Å; F74-P275 HydrophobicContact CE2-CG 4.43Å; F74-F303 AromaticContact CE2-CD1 3.8Å; F74-F303 HydrophobicContact CE2-CD1 3.8Å; F74-F303 AromaticContact CE2-CE1 3.87Å; F74-F303 HydrophobicContact CE2-CE1 3.87Å; F74-F303 HydrophobicContact CE2-CG 4.3Å; F74-F303 HydrophobicContact CE2-CZ 4.45Å; F74-F303 HydrophobicContact CZ-CD1 4.21Å
75P98.8Very high97.3Very high1 Ų136 Ų361%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-65.8147.7-175.428.4-35.4000111I72 S77 I244 T277I72-P75 HydrophobicContact CG2-CB 4.37Å; P75-S77 PolarHBondContact O-N 2.89Å; P75-S77 VanDerWaalsContact O-N 3.13Å; P75-S77 PolarHBondContact O-OG 3.44Å; P75-S77 VanDerWaalsContact O-OG 3.14Å; P75-I244 HydrophobicContact CG-CB 4.39Å; P75-I244 HydrophobicContact CG-CD1 3.8Å; P75-I244 HydrophobicContact CG-CG1 3.73Å; P75-I244 HydrophobicContact CG-CG2 3.81Å; P75-T277 HydrophobicContact CB-CG2 3.85Å
76T98.9Very high97.5Very high0 Ų033.2 Ų33.20%016%0.156CC..EExtended strand (participates in β ladder)trans-59.1121.6-178.9-51.70000109.9V33 C47 G50 D51 V78 S88 D107 L108V33-T76 HydrophobicContact CG2-CG2 4.4Å; C47-T76 PolarHBondContact SG-O 3.05Å; G50-T76 WeakPolarHBondContact CA-OG1 3.26Å; D51-T76 PolarHBondContact N-OG1 3.09Å; D51-T76 VanDerWaalsContact OD1-CB 3.26Å; D51-T76 WeakPolarHBondContact OD1-CB 3.39Å; D51-T76 PolarHBondContact OD1-N 3.29Å; D51-T76 PolarHBondContact OD1-OG1 2.92Å; T76-V78 HydrophobicContact CG2-CG2 4.46Å; T76-S88 WeakPolarHBondContact O-CB 3.31Å; T76-S88 PolarHBondContact O-OG 2.89Å; T76-D107 WeakPolarHBondContact CA-O 3.46Å; T76-L108 HydrophobicContact CG2-CD2 4.44Å
77S98.9Very high97.9Very high1 Ų125.7 Ų25.71%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-121.1137.1179.2-57.20000109.2P75 F87 I106 D107 I244P75-S77 PolarHBondContact O-N 2.89Å; P75-S77 VanDerWaalsContact O-N 3.13Å; P75-S77 PolarHBondContact O-OG 3.44Å; P75-S77 VanDerWaalsContact O-OG 3.14Å; S77-F87 CarbonylContact C-O 3.46Å; S77-F87 WeakPolarHBondContact CA-O 3.37Å; S77-I106 WeakPolarHBondContact O-CA 3.5Å; S77-D107 PolarHBondContact N-O 3.41Å; S77-D107 PolarHBondContact O-N 3.07Å; S77-I244 VanDerWaalsContact OG-CD1 3.26Å; S77-I244 WeakPolarHBondContact OG-CD1 3.31Å
78V98.8Very high98.3Very high0 Ų017.3 Ų17.30%08%0.084CC..EExtended strand (participates in β ladder)trans-130.298-178.1-176.10000109.2V43 L46 T76 F87 V104 K105 I106V43-V78 HydrophobicContact CG1-CB 3.81Å; V43-V78 HydrophobicContact CG1-CG1 4.3Å; V43-V78 HydrophobicContact CG2-CB 4.44Å; V43-V78 HydrophobicContact CG2-CG1 4Å; L46-V78 HydrophobicContact CB-CG2 4.1Å; L46-V78 HydrophobicContact CD1-CG1 4.45Å; T76-V78 HydrophobicContact CG2-CG2 4.46Å; V78-F87 PolarHBondContact N-O 3.39Å; V78-F87 VanDerWaalsContact O-CD1 3.32Å; V78-F87 WeakPolarHBondContact O-CD1 3.48Å; V78-V104 HydrophobicContact CG1-CG1 3.59Å; V78-K105 CarbonylContact C-O 3.53Å; V78-K105 VanDerWaalsContact CA-O 3.25Å; V78-K105 WeakPolarHBondContact CA-O 3.29Å; V78-I106 HydrophobicContact CG2-CG1 4.37Å
79S98.8Very high98.4Very high3 Ų316.2 Ų16.22%0.0218%0.079CC..EExtended strand (participates in β ladder)trans-104.1124.8-174.6-710000111.5C83 C85 F87 K105S79-C83 VanDerWaalsContact CB-SG 3.58Å; S79-C83 PolarHBondContact OG-SG 3.48Å; S79-C83 VanDerWaalsContact OG-SG 3.38Å; S79-C85 WeakPolarHBondContact OG-CA 3.42Å; S79-C85 PolarHBondContact OG-O 2.81Å; S79-F87 PolarHBondContact OG-N 3.39Å; S79-K105 PolarHBondContact N-O 2.92Å; S79-K105 WeakPolarHBondContact O-CB 3.26Å; S79-K105 WeakPolarHBondContact O-CE 3.44Å; S79-K105 PolarHBondContact O-N 3.48Å; S79-K105 PolarHBondContact O-NZ 2.85Å; S79-K105 VanDerWaalsContact O-NZ 3.09Å
80V98.8Very high98.5Very high11 Ų1111.6 Ų11.67%0.0676%0.059CC..EExtended strand (participates in β ladder)trans-106.9137.2-170.1-171.30000112.2V43 N82 C83 Y96 L98 D102 L103 V104V43-V80 HydrophobicContact CG2-CG2 4.22Å; V80-N82 PolarHBondContact O-N 3.06Å; V80-N82 VanDerWaalsContact O-N 3.16Å; V80-C83 VanDerWaalsContact O-CB 3.22Å; V80-C83 WeakPolarHBondContact O-CB 3.39Å; V80-C83 PolarHBondContact O-N 3.22Å; V80-Y96 HydrophobicContact CB-CD1 4.38Å; V80-Y96 HydrophobicContact CB-CE1 4.13Å; V80-Y96 HydrophobicContact CG1-CD1 4.44Å; V80-Y96 HydrophobicContact CG1-CE1 3.72Å; V80-Y96 HydrophobicContact CG2-CD1 3.89Å; V80-Y96 HydrophobicContact CG2-CE1 4Å; V80-L98 HydrophobicContact CG2-CD2 3.82Å; V80-D102 HydrophobicContact CG1-CB 3.83Å; V80-L103 CarbonylContact C-O 3.6Å; V80-L103 WeakPolarHBondContact CA-O 3.3Å; V80-V104 HydrophobicContact CG2-CG2 4.48Å
81N98.8Very high98.5Very high26 Ų2616.1 Ų16.114%0.1398%0.078CC..THydrogen-bonded Turntrans51-110.7176.8-60.9-41.9000113.3D102 L103 K105 F313 V314N81-D102 PolarHBondContact ND2-OD1 3.35Å; N81-L103 PolarHBondContact N-O 2.86Å; N81-L103 PolarHBondContact OD1-N 3.16Å; N81-K105 PolarHBondContact O-NZ 3.32Å; N81-F313 HydrophobicContact CB-CD1 4.14Å; N81-F313 HydrophobicContact CB-CE1 4.26Å; N81-V314 PolarHBondContact O-N 3.43Å; N81-V314 VanDerWaalsContact O-N 3.07Å
82N98.6Very high98.4Very high36 Ų3619.2 Ų19.219%0.19310%0.1CC..THydrogen-bonded Turntrans-79.7-12.6-179.567-51.8000113.8V80 V84 H307 E308 K309 E312V80-N82 PolarHBondContact O-N 3.06Å; V80-N82 VanDerWaalsContact O-N 3.16Å; N82-V84 PolarHBondContact O-N 3.38Å; N82-H307 WeakPolarHBondContact O-CA 3.43Å; N82-E308 HydrophobicContact CB-CB 4.2Å; N82-E308 PolarHBondContact ND2-O 3.04Å; N82-E308 PolarHBondContact O-N 3.06Å; N82-K309 WeakPolarHBondContact CB-O 3.48Å; N82-E312 WeakPolarHBondContact CA-O 3.3Å; N82-E312 VanDerWaalsContact CB-O 3.32Å; N82-E312 WeakPolarHBondContact CB-O 3.35Å; N82-E312 PolarHBondContact N-O 3.39Å
83C98.6Very high98.1Very high6 Ų618.9 Ų18.94%0.04110%0.098CC..BIsolated β-bridgetrans-63.4123.7168.6179.20000108.4S79 V80 K105 H307S79-C83 VanDerWaalsContact CB-SG 3.58Å; S79-C83 PolarHBondContact OG-SG 3.48Å; S79-C83 VanDerWaalsContact OG-SG 3.38Å; V80-C83 VanDerWaalsContact O-CB 3.22Å; V80-C83 WeakPolarHBondContact O-CB 3.39Å; V80-C83 PolarHBondContact O-N 3.22Å; C83-K105 WeakPolarHBondContact O-CE 3.45Å; C83-K105 PolarHBondContact O-NZ 3.34Å; C83-H307 WeakPolarHBondContact CB-NE2 3.31Å
84V98.6Very high97.8Very high0 Ų024.3 Ų24.30%013%0.133CC..  trans-80.3-54.3-171.1175.50000110.7N82 K105 I180 L227 A235 L306 V314N82-V84 PolarHBondContact O-N 3.38Å; V84-K105 WeakPolarHBondContact O-CE 3.5Å; V84-I180 HydrophobicContact CG1-CG1 4.26Å; V84-I180 HydrophobicContact CG2-CD1 4.42Å; V84-L227 HydrophobicContact CG1-CD1 4.44Å; V84-L227 HydrophobicContact CG1-CD2 4.12Å; V84-A235 HydrophobicContact CG2-CB 3.86Å; V84-L306 HydrophobicContact CB-CB 4.07Å; V84-L306 WeakPolarHBondContact CB-O 3.27Å; V84-L306 HydrophobicContact CG2-CB 4.35Å; V84-L306 PolarHBondContact N-O 2.96Å; V84-V314 HydrophobicContact CG1-CG1 4.4Å; V84-V314 HydrophobicContact CG2-CG2 4.11Å
85C98.1Very high97.7Very high3 Ų327 Ų272%0.0215%0.148CC..SBendtrans-159.2170.5-172560000112.8S79 F87S79-C85 WeakPolarHBondContact OG-CA 3.42Å; S79-C85 PolarHBondContact OG-O 2.81Å; C85-F87 VanDerWaalsContact C-N 3.26Å; C85-F87 PolarHBondContact O-N 3.36Å; C85-F87 VanDerWaalsContact O-N 3.12Å
86H98.5Very high97.6Very high30 Ų3030 Ų3014%0.13916%0.159CC..  trans64.215.1164.2-49.3-33.4000117F74 S88 I244 F303 S304F74-H86 AromaticContact CE1-ND1 3.99Å; F74-H86 AromaticContact CZ-CE1 3.79Å; F74-H86 AromaticContact CZ-ND1 3.4Å; F74-H86 WeakPolarHBondContact CZ-ND1 3.46Å; H86-S88 PolarHBondContact O-N 2.92Å; H86-S88 VanDerWaalsContact O-N 3.08Å; H86-I244 HydrophobicContact CB-CD1 4.25Å; H86-F303 HydrophobicContact CB-CB 4.37Å; H86-F303 AromaticContact CE1-CD1 3.89Å; H86-F303 AromaticContact NE2-CD1 3.76Å; H86-S304 PolarHBondContact CD2-O 2.78Å
87F98.6Very high97.6Very high30 Ų3033.6 Ų33.613%0.13218%0.182CC..  trans-75.5102.5175.4-169.9-113.2000110.7V43 S77 V78 S79 C85 P89 L240 V305V43-F87 HydrophobicContact CB-CE1 4.31Å; V43-F87 HydrophobicContact CG1-CD1 3.68Å; V43-F87 HydrophobicContact CG1-CE1 3.6Å; S77-F87 CarbonylContact C-O 3.46Å; S77-F87 WeakPolarHBondContact CA-O 3.37Å; V78-F87 PolarHBondContact N-O 3.39Å; V78-F87 VanDerWaalsContact O-CD1 3.32Å; V78-F87 WeakPolarHBondContact O-CD1 3.48Å; S79-F87 PolarHBondContact OG-N 3.39Å; C85-F87 VanDerWaalsContact C-N 3.26Å; C85-F87 PolarHBondContact O-N 3.36Å; C85-F87 VanDerWaalsContact O-N 3.12Å; F87-P89 HydrophobicContact CE1-CB 4.45Å; F87-P89 HydrophobicContact CE1-CG 3.98Å; F87-P89 HydrophobicContact CE2-CB 4.42Å; F87-P89 HydrophobicContact CZ-CB 4.03Å; F87-P89 HydrophobicContact CZ-CG 4.06Å; F87-L240 HydrophobicContact CD2-CD1 4.23Å; F87-L240 HydrophobicContact CE2-CD1 4.05Å; F87-V305 HydrophobicContact CB-CG1 4.19Å; F87-V305 HydrophobicContact CD2-CG1 4.15Å
88S98.6Very high97.6Very high1 Ų133.7 Ų33.71%0.00718%0.182CC..  trans-133.983.2174.1-164.50000108.7T76 H86 T243 R279T76-S88 WeakPolarHBondContact O-CB 3.31Å; T76-S88 PolarHBondContact O-OG 2.89Å; H86-S88 PolarHBondContact O-N 2.92Å; H86-S88 VanDerWaalsContact O-N 3.08Å; S88-T243 WeakPolarHBondContact O-CB 3.35Å; S88-T243 PolarHBondContact O-OG1 3.44Å; S88-R279 PolarHBondContact OG-NH1 3.08Å; S88-R279 PolarHBondContact OG-NH2 3.34Å
89P97.7Very high97.6Very high2 Ų239.8 Ų39.81%0.01321%0.209CC..  trans-64.8154.2-167.825.5-33.8000112.8V43 L44 F87 D93 R279V43-P89 HydrophobicContact CG1-CG 4.12Å; L44-P89 HydrophobicContact CB-CG 4.07Å; L44-P89 HydrophobicContact CD1-CG 4.47Å; L44-P89 WeakPolarHBondContact CD1-O 3.1Å; F87-P89 HydrophobicContact CE1-CB 4.45Å; F87-P89 HydrophobicContact CE1-CG 3.98Å; F87-P89 HydrophobicContact CE2-CB 4.42Å; F87-P89 HydrophobicContact CZ-CB 4.03Å; F87-P89 HydrophobicContact CZ-CG 4.06Å; P89-D93 HydrophobicContact CB-CB 4.43Å; P89-R279 PolarHBondContact O-NH1 3.39Å
90L97.9Very high97.6Very high0 Ų045.5 Ų45.50%024%0.239CC..  trans-82168.8167.6-56-177.9000111.2S92 D93 T243 L278 R279 E284 R288L90-S92 PolarHBondContact O-N 2.91Å; L90-D93 HydrophobicContact CB-CB 4.33Å; L90-D93 VanDerWaalsContact CB-OD2 3.31Å; L90-D93 WeakPolarHBondContact CB-OD2 3.31Å; L90-D93 VanDerWaalsContact CG-OD2 3.27Å; L90-D93 WeakPolarHBondContact CG-OD2 3.43Å; L90-D93 PolarHBondContact N-OD2 3.5Å; L90-D93 PolarHBondContact O-N 3.44Å; L90-T243 HydrophobicContact CD1-CG2 4.25Å; L90-T243 HydrophobicContact CD2-CG2 3.96Å; L90-T243 HydrophobicContact CG-CG2 3.67Å; L90-L278 HydrophobicContact CD1-CB 4.42Å; L90-L278 HydrophobicContact CD2-CB 3.8Å; L90-R279 HydrophobicContact CD2-CB 4.06Å; L90-E284 HydrophobicContact CD1-CG 4.03Å; L90-R288 HydrophobicContact CD1-CG 4.2Å
91K96.4Very high97.5Very high145 Ų14545.9 Ų45.963%0.6325%0.245SC*.THydrogen-bonded Turntrans-67.8-27.4178-65.2-179.9178.9179.50112L44 E48 E284L44-K91 HydrophobicContact CD2-CG 4.32Å; E48-K91 VanDerWaalsContact OE1-CE 3.28Å; E48-K91 WeakPolarHBondContact OE1-CE 3.41Å; E48-K91 IonicContact OE1-NZ 2.74Å; K91-E284 PolarHBondContact N-OE2 2.86Å
92S95.7Very high97.5Very high67 Ų6745.1 Ų45.147%0.46924%0.241SC..THydrogen-bonded Turntrans-89.4-10.4176.172.50000114.7L90 E284L90-S92 PolarHBondContact O-N 2.91Å; S92-E284 WeakPolarHBondContact CB-OE1 3.36Å; S92-E284 PolarHBondContact OG-OE1 3.18Å
93D93.3Very high97.5Very high28 Ų2843.4 Ų43.415%0.1523%0.232CC..SBendtrans-83.6155-179.8-66.8-27.3000110.5P89 L90 D95 R241P89-D93 HydrophobicContact CB-CB 4.43Å; L90-D93 HydrophobicContact CB-CB 4.33Å; L90-D93 VanDerWaalsContact CB-OD2 3.31Å; L90-D93 WeakPolarHBondContact CB-OD2 3.31Å; L90-D93 VanDerWaalsContact CG-OD2 3.27Å; L90-D93 WeakPolarHBondContact CG-OD2 3.43Å; L90-D93 PolarHBondContact N-OD2 3.5Å; L90-D93 PolarHBondContact O-N 3.44Å; D93-D95 PolarHBondContact O-N 2.91Å; D93-R241 IonicContact OD1-CZ 3.93Å; D93-R241 IonicContact OD1-NH1 2.64Å; D93-R241 PolarHBondContact OD1-NH1 3.38Å
94P92.9Very high97.6Very high114 Ų11443.1 Ų43.174%0.7423%0.23SC*.PPolyproline II helixtrans-58.6126.9170.6-22.333.7000111
95D95.7Very high97.6Very high62 Ų6243.2 Ų43.233%0.33223%0.23SC..PPolyproline II helixtrans-90.8161.6177.3-170.927.6000111.8S42 V43 L44 D93S42-D95 WeakPolarHBondContact CB-OD2 3.13Å; S42-D95 PolarHBondContact OG-OD2 3.24Å; V43-D95 PolarHBondContact N-OD1 3.07Å; L44-D95 PolarHBondContact N-OD1 3.25Å; D93-D95 PolarHBondContact O-N 2.91Å
96Y98.1Very high97.6Very high64 Ų6443 Ų4325%0.25123%0.229SC..  trans-109.8127.7172.6-171.4-85.6000110.2V43 V80 L98 D102V43-Y96 WeakPolarHBondContact CB-O 3.47Å; V43-Y96 HydrophobicContact CG2-CD1 4.06Å; V43-Y96 HydrophobicContact CG2-CG 4.47Å; V43-Y96 WeakPolarHBondContact CG2-O 3.49Å; V43-Y96 PolarHBondContact N-O 3.5Å; V80-Y96 HydrophobicContact CB-CD1 4.38Å; V80-Y96 HydrophobicContact CB-CE1 4.13Å; V80-Y96 HydrophobicContact CG1-CD1 4.44Å; V80-Y96 HydrophobicContact CG1-CE1 3.72Å; V80-Y96 HydrophobicContact CG2-CD1 3.89Å; V80-Y96 HydrophobicContact CG2-CE1 4Å; Y96-L98 HydrophobicContact CD1-CD2 4.12Å; Y96-L98 HydrophobicContact CE1-CD2 4.17Å; Y96-D102 WeakPolarHBondContact CE1-OD2 3.48Å; Y96-D102 PolarHBondContact OH-OD1 2.92Å; Y96-D102 PolarHBondContact OH-OD2 2.98Å
97T98.7Very high97.6Very high77 Ų7741.7 Ų41.747%0.47222%0.223SC..BIsolated β-bridgetrans-95.7120.7171.8-57.50000109.4
98L98.8Very high97.6Very high2 Ų240.3 Ų40.31%0.0122%0.217CC..  trans-58.3142.1-179.8-66.5-173.1000111.9A37 K38 A39 G40 I41 V43 L46 V80 Y96 V104 V125A37-L98 HydrophobicContact CB-CD1 3.81Å; K38-L98 WeakPolarHBondContact O-CB 3.35Å; A39-L98 CarbonylContact C-O 3.56Å; A39-L98 WeakPolarHBondContact CA-O 3.26Å; G40-L98 PolarHBondContact N-O 3.42Å; I41-L98 PolarHBondContact O-N 2.86Å; V43-L98 HydrophobicContact CG2-CD2 3.94Å; V43-L98 HydrophobicContact CG2-CG 4.41Å; L46-L98 HydrophobicContact CD1-CD1 3.59Å; L46-L98 HydrophobicContact CD1-CG 4.35Å; V80-L98 HydrophobicContact CG2-CD2 3.82Å; Y96-L98 HydrophobicContact CD1-CD2 4.12Å; Y96-L98 HydrophobicContact CE1-CD2 4.17Å; L98-V104 HydrophobicContact CD1-CG2 4.36Å; L98-V104 HydrophobicContact CD2-CG2 3.7Å; L98-V125 HydrophobicContact CD1-CG2 4.25Å
99K98.6Very high97.7Very high129 Ų12940.2 Ų40.256%0.56122%0.217SC*.  trans-118.1156.7177.2-56.7174.4-173174.90109.9G101 D102 V125K99-G101 PolarHBondContact O-N 3.36Å; K99-D102 WeakPolarHBondContact CA-OD2 3.34Å; K99-D102 WeakPolarHBondContact CB-OD2 3.3Å; K99-D102 PolarHBondContact N-OD2 2.98Å; K99-D102 WeakPolarHBondContact O-CB 3.4Å; K99-D102 PolarHBondContact O-N 2.94Å; K99-V125 WeakPolarHBondContact O-CB 3.48Å; K99-V125 WeakPolarHBondContact O-CG1 3.33Å
100D98.2Very high97.7Very high122 Ų12240.1 Ų40.165%0.65222%0.216SC*.THydrogen-bonded Turntrans-58.9136.1170.6-170.764.3000110.3A39 D102 G126A39-D100 HydrophobicContact CB-CB 4.35Å; D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.5Å; D100-G126 WeakPolarHBondContact OD1-CA 3.42Å
101G98Very high97.8Very high19 Ų1940.9 Ų40.920%0.19622%0.22CC..THydrogen-bonded Turntrans80.4-3.9-176.600000115.6K99 V125 K137K99-G101 PolarHBondContact O-N 3.36Å; G101-V125 WeakPolarHBondContact CA-O 3.28Å; G101-V125 PolarHBondContact N-O 3.06Å; G101-K137 PolarHBondContact O-NZ 2.97Å
102D98.8Very high97.8Very high11 Ų1134 Ų346%0.05919%0.19CC..  trans-61.9138.8176.3-83.2-25.8000112.2V80 N81 Y96 K99 D100 V104 I124 V125V80-D102 HydrophobicContact CG1-CB 3.83Å; N81-D102 PolarHBondContact ND2-OD1 3.35Å; Y96-D102 WeakPolarHBondContact CE1-OD2 3.48Å; Y96-D102 PolarHBondContact OH-OD1 2.92Å; Y96-D102 PolarHBondContact OH-OD2 2.98Å; K99-D102 WeakPolarHBondContact CA-OD2 3.34Å; K99-D102 WeakPolarHBondContact CB-OD2 3.3Å; K99-D102 PolarHBondContact N-OD2 2.98Å; K99-D102 WeakPolarHBondContact O-CB 3.4Å; K99-D102 PolarHBondContact O-N 2.94Å; D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.5Å; D102-V104 HydrophobicContact CB-CG2 4.21Å; D102-I124 VanDerWaalsContact O-CA 3.31Å; D102-I124 WeakPolarHBondContact O-CA 3.38Å; D102-V125 HydrophobicContact CB-CG2 4.31Å; D102-V125 PolarHBondContact O-N 2.95Å
103L98.8Very high97.9Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-83.5113.8167.1-170.2166.1000109.1V80 N81 K105 I124 V140 I141 F313 V314 A315V80-L103 CarbonylContact C-O 3.6Å; V80-L103 WeakPolarHBondContact CA-O 3.3Å; N81-L103 PolarHBondContact N-O 2.86Å; N81-L103 PolarHBondContact OD1-N 3.16Å; L103-K105 HydrophobicContact CD2-CG 4.1Å; L103-I124 VanDerWaalsContact CA-CD1 3.44Å; L103-I124 HydrophobicContact CB-CD1 3.42Å; L103-I124 VanDerWaalsContact CB-CD1 3.42Å; L103-I124 HydrophobicContact CD1-CD1 4.14Å; L103-I124 HydrophobicContact CG-CD1 3.63Å; L103-V140 HydrophobicContact CD1-CG1 3.97Å; L103-I141 HydrophobicContact CD1-CD1 4.09Å; L103-I141 HydrophobicContact CD1-CG1 4.03Å; L103-I141 HydrophobicContact CG-CD1 4.29Å; L103-F313 HydrophobicContact CB-CD1 4.42Å; L103-F313 HydrophobicContact CD1-CB 3.97Å; L103-V314 WeakPolarHBondContact CD2-O 3.45Å; L103-A315 HydrophobicContact CD1-CB 4.49Å
104V98.9Very high98.1Very high0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-110.7130.4-176.9-178.80000109.7V78 V80 L98 D102 I106 S122 F123 V125V78-V104 HydrophobicContact CG1-CG1 3.59Å; V80-V104 HydrophobicContact CG2-CG2 4.48Å; L98-V104 HydrophobicContact CD1-CG2 4.36Å; L98-V104 HydrophobicContact CD2-CG2 3.7Å; D102-V104 HydrophobicContact CB-CG2 4.21Å; V104-I106 HydrophobicContact CG1-CG1 4.2Å; V104-S122 VanDerWaalsContact O-CA 3.3Å; V104-S122 WeakPolarHBondContact O-CA 3.39Å; V104-F123 HydrophobicContact CB-CD1 4.47Å; V104-F123 HydrophobicContact CB-CE1 3.82Å; V104-F123 HydrophobicContact CB-CE2 4.4Å; V104-F123 HydrophobicContact CB-CZ 3.78Å; V104-F123 HydrophobicContact CG1-CE1 3.84Å; V104-F123 HydrophobicContact CG1-CZ 3.88Å; V104-F123 HydrophobicContact CG2-CZ 4.45Å; V104-F123 PolarHBondContact N-O 3.36Å; V104-F123 PolarHBondContact O-N 3.5Å; V104-F123 VanDerWaalsContact O-N 3.09Å; V104-V125 HydrophobicContact CG2-CG2 3.63Å
105K98.9Very high98.4Very high1 Ų125.5 Ų25.50%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-106.5120.9169.2-68168.9-69.2-60.90108.6V78 S79 N81 C83 V84 L103 H121 S122 V314 Q316V78-K105 CarbonylContact C-O 3.53Å; V78-K105 VanDerWaalsContact CA-O 3.25Å; V78-K105 WeakPolarHBondContact CA-O 3.29Å; S79-K105 PolarHBondContact N-O 2.92Å; S79-K105 WeakPolarHBondContact O-CB 3.26Å; S79-K105 WeakPolarHBondContact O-CE 3.44Å; S79-K105 PolarHBondContact O-N 3.48Å; S79-K105 PolarHBondContact O-NZ 2.85Å; S79-K105 VanDerWaalsContact O-NZ 3.09Å; N81-K105 PolarHBondContact O-NZ 3.32Å; C83-K105 WeakPolarHBondContact O-CE 3.45Å; C83-K105 PolarHBondContact O-NZ 3.34Å; V84-K105 WeakPolarHBondContact O-CE 3.5Å; L103-K105 HydrophobicContact CD2-CG 4.1Å; K105-H121 WeakPolarHBondContact CA-O 3.41Å; K105-S122 WeakPolarHBondContact CG-OG 3.48Å; K105-V314 HydrophobicContact CD-CG1 4.44Å; K105-V314 VanDerWaalsContact CD-O 3.27Å; K105-V314 WeakPolarHBondContact CD-O 3.29Å; K105-V314 WeakPolarHBondContact CE-O 3.36Å; K105-V314 PolarHBondContact NZ-O 3.36Å; K105-Q316 HydrophobicContact CB-CB 4.36Å; K105-Q316 HydrophobicContact CD-CB 3.65Å; K105-Q316 HydrophobicContact CG-CB 3.8Å
106I98.9Very high98.6Very high0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-105.2130.2169.7-62.2162.1000107.8L30 V33 V34 S77 V78 V104 L108 A120 H121 F123L30-I106 HydrophobicContact CD1-CB 3.71Å; L30-I106 HydrophobicContact CD1-CD1 4.43Å; L30-I106 HydrophobicContact CD1-CG2 3.57Å; V33-I106 HydrophobicContact CB-CD1 3.95Å; V33-I106 HydrophobicContact CB-CG2 4.2Å; V33-I106 HydrophobicContact CG1-CD1 3.53Å; V33-I106 HydrophobicContact CG1-CG1 3.97Å; V33-I106 HydrophobicContact CG1-CG2 3.96Å; V34-I106 HydrophobicContact CB-CD1 4.32Å; V34-I106 HydrophobicContact CG2-CD1 3.55Å; S77-I106 WeakPolarHBondContact O-CA 3.5Å; V78-I106 HydrophobicContact CG2-CG1 4.37Å; V104-I106 HydrophobicContact CG1-CG1 4.2Å; I106-L108 HydrophobicContact CG2-CD2 4.34Å; I106-A120 CarbonylContact O-C 3.56Å; I106-A120 WeakPolarHBondContact O-CA 3.26Å; I106-A120 WeakPolarHBondContact O-CB 3.5Å; I106-H121 PolarHBondContact N-O 3Å; I106-H121 PolarHBondContact O-N 3.06Å; I106-F123 HydrophobicContact CD1-CE1 3.56Å; I106-F123 HydrophobicContact CD1-CZ 4.11Å; I106-F123 HydrophobicContact CG1-CE1 4.13Å
107D98.9Very high98.6Very high2 Ų219.5 Ų19.51%0.01111%0.105CC..EExtended strand (participates in β ladder)trans-133.2129178.6-173.85.9000109.9T76 S77 A120 Q316 K318T76-D107 WeakPolarHBondContact CA-O 3.46Å; S77-D107 PolarHBondContact N-O 3.41Å; S77-D107 PolarHBondContact O-N 3.07Å; D107-A120 HydrophobicContact CB-CB 3.76Å; D107-Q316 PolarHBondContact OD2-NE2 3.25Å; D107-K318 VanDerWaalsContact CG-NZ 3.27Å; D107-K318 IonicContact OD1-NZ 3.75Å; D107-K318 PolarHBondContact OD1-NZ 3.47Å; D107-K318 VanDerWaalsContact OD1-NZ 3.11Å; D107-K318 IonicContact OD2-NZ 3.18Å; D107-K318 PolarHBondContact OD2-NZ 3.41Å
108L98.9Very high98.6Very high0 Ų016.1 Ų16.10%08%0.084CC..EExtended strand (participates in β ladder)trans-154.4164179.659.682.7000111.9A26 A29 L30 I54 T76 I106 V119A26-L108 HydrophobicContact CB-CD1 4.01Å; A29-L108 HydrophobicContact CB-CD1 4.14Å; A29-L108 HydrophobicContact CB-CD2 3.93Å; L30-L108 HydrophobicContact CB-CD2 4.42Å; I54-L108 HydrophobicContact CD1-CB 4.29Å; I54-L108 HydrophobicContact CD1-CD1 4.18Å; T76-L108 HydrophobicContact CG2-CD2 4.44Å; I106-L108 HydrophobicContact CG2-CD2 4.34Å; L108-V119 HydrophobicContact CD1-CG1 3.63Å; L108-V119 HydrophobicContact CG-CG1 4.14Å; L108-V119 PolarHBondContact N-O 2.98Å; L108-V119 PolarHBondContact O-N 3.02Å
109G98.8Very high98.6Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-144.3144.9-18000000113.2A73 F74 A117 N118A73-G109 PolarHBondContact N-O 3.34Å; F74-G109 PolarHBondContact N-O 3.03Å; F74-G109 PolarHBondContact O-N 2.81Å; G109-A117 WeakPolarHBondContact CA-O 3.33Å; G109-N118 VanDerWaalsContact CA-ND2 3.32Å; G109-N118 WeakPolarHBondContact CA-ND2 3.46Å
110V98.9Very high98.6Very high0 Ų010 Ų100%06%0.057CC..EExtended strand (participates in β ladder)trans-122.6142176-178.10000108.7I25 A26 I54 T58 G71 A117I25-V110 HydrophobicContact CB-CG1 4.31Å; I25-V110 HydrophobicContact CB-CG2 4.45Å; I25-V110 HydrophobicContact CG2-CG1 4.22Å; I25-V110 HydrophobicContact CG2-CG2 4.02Å; A26-V110 HydrophobicContact CB-CB 4.27Å; A26-V110 HydrophobicContact CB-CG2 3.75Å; I54-V110 HydrophobicContact CB-CG2 4.47Å; I54-V110 HydrophobicContact CD1-CG2 4.09Å; I54-V110 HydrophobicContact CG1-CG2 3.88Å; I54-V110 HydrophobicContact CG2-CG1 4.41Å; I54-V110 HydrophobicContact CG2-CG2 3.84Å; T58-V110 HydrophobicContact CG2-CG1 3.66Å; G71-V110 WeakPolarHBondContact O-CA 3.36Å; V110-A117 PolarHBondContact N-O 2.85Å; V110-A117 PolarHBondContact O-N 3.01Å
111H98.8Very high98.7Very high16 Ų164.5 Ų4.57%0.0743%0.028CC..EExtended strand (participates in β ladder)trans-124.4148.416672.9102.3000111.7K70 G71 I72 A73 F115 I116 M274K70-H111 WeakPolarHBondContact CA-O 3.47Å; G71-H111 PolarHBondContact N-O 3.32Å; G71-H111 PolarHBondContact O-CD2 3.06Å; G71-H111 PolarHBondContact O-N 3.26Å; I72-H111 PolarHBondContact O-CD2 3.41Å; A73-H111 HydrophobicContact CB-CB 3.92Å; H111-F115 VanDerWaalsContact CA-O 3.23Å; H111-F115 WeakPolarHBondContact CA-O 3.5Å; H111-I116 HydrophobicContact CB-CG1 4.09Å; H111-M274 HydrophobicContact CB-CE 3.95Å
112V98.5Very high98.7Very high0 Ų03.6 Ų3.60%02%0.019CC..EExtended strand (participates in β ladder)trans-128117.3168.5-179.40000106.9K18 F62 M68 G114 F115K18-V112 HydrophobicContact CB-CB 4.34Å; K18-V112 HydrophobicContact CB-CG1 4.2Å; K18-V112 HydrophobicContact CG-CG1 4.16Å; F62-V112 HydrophobicContact CD2-CG1 3.76Å; F62-V112 HydrophobicContact CE2-CG1 3.66Å; M68-V112 HydrophobicContact SD-CG1 4.02Å; V112-G114 PolarHBondContact O-N 2.88Å; V112-F115 PolarHBondContact N-O 3.39Å; V112-F115 VanDerWaalsContact N-O 3.1Å; V112-F115 WeakPolarHBondContact O-CB 3.38Å; V112-F115 WeakPolarHBondContact O-CD2 3.49Å; V112-F115 PolarHBondContact O-N 3Å
113D97.4Very high98.7Very high30 Ų304.1 Ų4.116%0.162%0.021CC..THydrogen-bonded Turntrans55.832.5-177.3-156.231.2000114.4K18 M68 K69 F115 Q190K18-D113 HydrophobicContact CD-CB 3.94Å; K18-D113 IonicContact NZ-OD2 3.61Å; K18-D113 PolarHBondContact NZ-OD2 3.22Å; M68-D113 HydrophobicContact CE-CB 3.87Å; M68-D113 HydrophobicContact CG-CB 3.86Å; M68-D113 HydrophobicContact SD-CB 4.01Å; K69-D113 VanDerWaalsContact O-CA 3.24Å; K69-D113 WeakPolarHBondContact O-CA 3.42Å; K69-D113 PolarHBondContact O-N 2.89Å; D113-F115 VanDerWaalsContact C-N 3.3Å; D113-F115 HydrophobicContact CB-CD2 4.23Å; D113-F115 HydrophobicContact CB-CE2 4.38Å; D113-F115 PolarHBondContact O-N 3.29Å; D113-Q190 WeakPolarHBondContact O-CG 3.1Å; D113-Q190 PolarHBondContact O-NE2 2.48Å
114G97.8Very high98.7Very high0 Ų04.4 Ų4.40%02%0.022CC..THydrogen-bonded Turntrans84.4-6.9-177.100000115.1V112 H191V112-G114 PolarHBondContact O-N 2.88Å; G114-H191 VanDerWaalsContact CA-CE1 3.47Å; G114-H191 WeakPolarHBondContact CA-CE1 3.26Å; G114-H191 WeakPolarHBondContact CA-ND1 3.33Å; G114-H191 PolarHBondContact O-N 3.05Å
115F98.7Very high98.6Very high0 Ų04.7 Ų4.70%02%0.023CC..EExtended strand (participates in β ladder)trans-82.4117.9174.3-59-69.6000110.7Q8 V15 K18 Y19 H111 V112 D113 Q190Q8-F115 HydrophobicContact CB-CE1 4.41Å; Q8-F115 HydrophobicContact CB-CZ 3.83Å; V15-F115 HydrophobicContact CB-CE1 4.44Å; V15-F115 HydrophobicContact CB-CZ 4.25Å; V15-F115 HydrophobicContact CG1-CD1 3.75Å; V15-F115 HydrophobicContact CG1-CD2 4.49Å; V15-F115 HydrophobicContact CG1-CE1 3.4Å; V15-F115 VanDerWaalsContact CG1-CE1 3.4Å; V15-F115 HydrophobicContact CG1-CE2 4.22Å; V15-F115 HydrophobicContact CG1-CG 4.27Å; V15-F115 HydrophobicContact CG1-CZ 3.67Å; V15-F115 HydrophobicContact CG2-CE1 4.29Å; V15-F115 HydrophobicContact CG2-CE2 4.23Å; V15-F115 HydrophobicContact CG2-CZ 3.74Å; K18-F115 HydrophobicContact CB-CD2 3.89Å; K18-F115 HydrophobicContact CD-CD2 3.61Å; K18-F115 HydrophobicContact CD-CE2 3.65Å; K18-F115 HydrophobicContact CG-CD2 4.41Å; Y19-F115 HydrophobicContact CD1-CB 4.03Å; Y19-F115 HydrophobicContact CD2-CB 3.96Å; Y19-F115 HydrophobicContact CD2-CD1 4.08Å; Y19-F115 HydrophobicContact CD2-CG 4.17Å; Y19-F115 HydrophobicContact CE1-CB 3.88Å; Y19-F115 HydrophobicContact CE2-CB 3.8Å; Y19-F115 AromaticContact CE2-CD1 3.33Å; Y19-F115 HydrophobicContact CE2-CD1 3.33Å; Y19-F115 HydrophobicContact CE2-CE1 4.2Å; Y19-F115 AromaticContact CE2-CG 3.83Å; Y19-F115 HydrophobicContact CE2-CG 3.83Å; Y19-F115 HydrophobicContact CG-CB 4.07Å; Y19-F115 AromaticContact CZ-CD1 3.63Å; H111-F115 VanDerWaalsContact CA-O 3.23Å; H111-F115 WeakPolarHBondContact CA-O 3.5Å; V112-F115 PolarHBondContact N-O 3.39Å; V112-F115 VanDerWaalsContact N-O 3.1Å; V112-F115 WeakPolarHBondContact O-CB 3.38Å; V112-F115 WeakPolarHBondContact O-CD2 3.49Å; V112-F115 PolarHBondContact O-N 3Å; D113-F115 VanDerWaalsContact C-N 3.3Å; D113-F115 HydrophobicContact CB-CD2 4.23Å; D113-F115 HydrophobicContact CB-CE2 4.38Å; D113-F115 PolarHBondContact O-N 3.29Å; F115-Q190 HydrophobicContact CD1-CB 4.21Å; F115-Q190 HydrophobicContact CD1-CG 4.2Å; F115-Q190 HydrophobicContact CE1-CB 3.7Å; F115-Q190 HydrophobicContact CE1-CG 3.74Å; F115-Q190 HydrophobicContact CE2-CG 4.1Å; F115-Q190 HydrophobicContact CZ-CB 4.1Å; F115-Q190 HydrophobicContact CZ-CG 3.68Å
116I98.9Very high98.4Very high0 Ų07.2 Ų7.20%05%0.05CC..EExtended strand (participates in β ladder)trans-98.1135.7-165.4-62.4153.1000111.7Y19 A73 H111 N118 L188 I193 M274Y19-I116 WeakPolarHBondContact CD1-O 3.45Å; Y19-I116 WeakPolarHBondContact CE1-O 3.37Å; A73-I116 HydrophobicContact CB-CB 4.48Å; A73-I116 HydrophobicContact CB-CG1 4.16Å; A73-I116 HydrophobicContact CB-CG2 3.81Å; H111-I116 HydrophobicContact CB-CG1 4.09Å; I116-N118 VanDerWaalsContact CG2-OD1 3.3Å; I116-N118 WeakPolarHBondContact CG2-OD1 3.37Å; I116-L188 HydrophobicContact CB-CD1 4.16Å; I116-L188 HydrophobicContact CG2-CD1 4.21Å; I116-L188 HydrophobicContact CG2-CD2 4.46Å; I116-L188 WeakPolarHBondContact O-CD1 3.29Å; I116-I193 HydrophobicContact CD1-CB 3.68Å; I116-I193 HydrophobicContact CD1-CG1 4.04Å; I116-I193 HydrophobicContact CG2-CD1 4.3Å; I116-I193 HydrophobicContact CG2-CG1 4.34Å; I116-M274 HydrophobicContact CD1-CE 3.87Å; I116-M274 HydrophobicContact CD1-SD 3.98Å; I116-M274 HydrophobicContact CG1-CE 3.77Å; I116-M274 HydrophobicContact CG1-SD 4.04Å
117A98.8Very high98.2Very high0 Ų08.5 Ų8.50%06%0.061CC..EExtended strand (participates in β ladder)trans-124.8110.1169.100000109.5G109 V110 I331 T332G109-A117 WeakPolarHBondContact CA-O 3.33Å; V110-A117 PolarHBondContact N-O 2.85Å; V110-A117 PolarHBondContact O-N 3.01Å; A117-I331 HydrophobicContact CB-CD1 4.14Å; A117-T332 HydrophobicContact CB-CG2 3.98Å
118N98.8Very high98Very high6 Ų610.2 Ų10.23%0.0327%0.073CC..EExtended strand (participates in β ladder)trans-100.8149.9175.9-68.4120.2000111.2G109 I116 A223 K318 T320 T332G109-N118 VanDerWaalsContact CA-ND2 3.32Å; G109-N118 WeakPolarHBondContact CA-ND2 3.46Å; I116-N118 VanDerWaalsContact CG2-OD1 3.3Å; I116-N118 WeakPolarHBondContact CG2-OD1 3.37Å; N118-A223 HydrophobicContact CB-CB 4.4Å; N118-K318 HydrophobicContact CB-CD 3.71Å; N118-K318 HydrophobicContact CB-CG 4.35Å; N118-T320 PolarHBondContact N-OG1 3.47Å; N118-T320 PolarHBondContact O-N 2.62Å; N118-T320 PolarHBondContact O-OG1 3.4Å; N118-T332 PolarHBondContact O-OG1 3.4Å
119V98.9Very high97.8Very high0 Ų015.1 Ų15.10%09%0.094CC..EExtended strand (participates in β ladder)trans-150.6138.3174.5710000110.3A26 L30 L108 K318 T332A26-V119 HydrophobicContact CB-CG1 4.02Å; L30-V119 HydrophobicContact CB-CG1 3.97Å; L30-V119 HydrophobicContact CD2-CB 4.44Å; L30-V119 HydrophobicContact CD2-CG1 4.02Å; L30-V119 HydrophobicContact CD2-CG2 3.6Å; L108-V119 HydrophobicContact CD1-CG1 3.63Å; L108-V119 HydrophobicContact CG-CG1 4.14Å; L108-V119 PolarHBondContact N-O 2.98Å; L108-V119 PolarHBondContact O-N 3.02Å; V119-K318 WeakPolarHBondContact CA-O 3.34Å; V119-T332 HydrophobicContact CB-CG2 4.26Å
120A98.9Very high97.5Very high2 Ų223.1 Ų23.12%0.01713%0.131CC..EExtended strand (participates in β ladder)trans-140148.7169.800000110.9I106 D107 Q316 K318I106-A120 CarbonylContact O-C 3.56Å; I106-A120 WeakPolarHBondContact O-CA 3.26Å; I106-A120 WeakPolarHBondContact O-CB 3.5Å; D107-A120 HydrophobicContact CB-CB 3.76Å; A120-Q316 HydrophobicContact CB-CG 3.99Å; A120-K318 HydrophobicContact CB-CB 3.48Å; A120-K318 VanDerWaalsContact CB-CB 3.48Å; A120-K318 HydrophobicContact CB-CD 4.49Å; A120-K318 PolarHBondContact N-O 2.68Å; A120-K318 PolarHBondContact O-N 2.8Å
121H98.8Very high97.2Very high8 Ų828.9 Ų28.94%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-148.7136.5-175.4-17866.6000112.2L30 K105 I106 Q316 F317 H335L30-H121 HydrophobicContact CD1-CB 4.04Å; L30-H121 HydrophobicContact CD2-CB 3.75Å; L30-H121 HydrophobicContact CG-CB 4.4Å; K105-H121 WeakPolarHBondContact CA-O 3.41Å; I106-H121 PolarHBondContact N-O 3Å; I106-H121 PolarHBondContact O-N 3.06Å; H121-Q316 CarbonylContact C-O 3.57Å; H121-F317 AromaticContact CE1-CE1 3.81Å; H121-F317 AromaticContact ND1-CD1 3.86Å; H121-F317 AromaticContact ND1-CE1 3.42Å; H121-F317 WeakPolarHBondContact ND1-CE1 3.18Å; H121-H335 PolarHBondContact CE1-O 3.26Å; H121-H335 VanDerWaalsContact CE1-O 3.26Å; H121-H335 PolarHBondContact NE2-O 2.97Å
122S98.8Very high97Very high0 Ų028.9 Ų28.90%016%0.164CC..EExtended strand (participates in β ladder)trans-100137.2170.3-76.40000113.2V104 K105 A315 Q316V104-S122 VanDerWaalsContact O-CA 3.3Å; V104-S122 WeakPolarHBondContact O-CA 3.39Å; K105-S122 WeakPolarHBondContact CG-OG 3.48Å; S122-A315 WeakPolarHBondContact OG-CA 3.31Å; S122-Q316 PolarHBondContact N-O 3.04Å; S122-Q316 PolarHBondContact OG-N 3.11Å; S122-Q316 PolarHBondContact OG-O 2.9Å
123F98.5Very high97Very high22 Ų2230.4 Ų30.410%0.09617%0.171CC..EExtended strand (participates in β ladder)trans-147.4173170.267.4-75.3000110.1V34 A37 V104 I106 V125V34-F123 HydrophobicContact CG1-CD1 4.42Å; V34-F123 HydrophobicContact CG1-CE1 4.42Å; V34-F123 HydrophobicContact CG1-CZ 4.48Å; V34-F123 HydrophobicContact CG2-CD1 4.21Å; V34-F123 HydrophobicContact CG2-CE1 4.02Å; A37-F123 HydrophobicContact CB-CE2 4.09Å; A37-F123 HydrophobicContact CB-CZ 3.54Å; V104-F123 HydrophobicContact CB-CD1 4.47Å; V104-F123 HydrophobicContact CB-CE1 3.82Å; V104-F123 HydrophobicContact CB-CE2 4.4Å; V104-F123 HydrophobicContact CB-CZ 3.78Å; V104-F123 HydrophobicContact CG1-CE1 3.84Å; V104-F123 HydrophobicContact CG1-CZ 3.88Å; V104-F123 HydrophobicContact CG2-CZ 4.45Å; V104-F123 PolarHBondContact N-O 3.36Å; V104-F123 PolarHBondContact O-N 3.5Å; V104-F123 VanDerWaalsContact O-N 3.09Å; I106-F123 HydrophobicContact CD1-CE1 3.56Å; I106-F123 HydrophobicContact CD1-CZ 4.11Å; I106-F123 HydrophobicContact CG1-CE1 4.13Å; F123-V125 HydrophobicContact CE2-CG2 4.29Å
124I98.4Very high97Very high6 Ų633.6 Ų33.63%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-111.3130.1175.2-58.5-57.4000108.8D102 L103 G126 A127 I133 K137 I141 Y341D102-I124 VanDerWaalsContact O-CA 3.31Å; D102-I124 WeakPolarHBondContact O-CA 3.38Å; L103-I124 VanDerWaalsContact CA-CD1 3.44Å; L103-I124 HydrophobicContact CB-CD1 3.42Å; L103-I124 VanDerWaalsContact CB-CD1 3.42Å; L103-I124 HydrophobicContact CD1-CD1 4.14Å; L103-I124 HydrophobicContact CG-CD1 3.63Å; I124-G126 PolarHBondContact O-N 3.38Å; I124-A127 HydrophobicContact CB-CB 4.06Å; I124-A127 WeakPolarHBondContact O-CB 3.36Å; I124-A127 PolarHBondContact O-N 3.23Å; I124-I133 HydrophobicContact CB-CD1 4.2Å; I124-I133 HydrophobicContact CB-CG1 4.02Å; I124-I133 HydrophobicContact CG1-CD1 4.49Å; I124-I133 HydrophobicContact CG1-CG1 3.98Å; I124-I133 HydrophobicContact CG1-CG2 4.23Å; I124-I133 HydrophobicContact CG2-CD1 3.73Å; I124-I133 HydrophobicContact CG2-CG1 4.11Å; I124-K137 HydrophobicContact CD1-CB 4.21Å; I124-K137 HydrophobicContact CD1-CD 3.97Å; I124-K137 HydrophobicContact CD1-CG 4.32Å; I124-I141 HydrophobicContact CD1-CD1 3.69Å; I124-I141 HydrophobicContact CG1-CD1 3.72Å; I124-Y341 HydrophobicContact CG1-CE1 4.05Å
125V98.1Very high97Very high5 Ų535.5 Ų35.53%0.0321%0.212CC..THydrogen-bonded Turntrans-62.5127.3174.5178.80000109A39 L98 K99 G101 D102 V104 F123 A127A39-V125 HydrophobicContact CB-CG1 4.22Å; L98-V125 HydrophobicContact CD1-CG2 4.25Å; K99-V125 WeakPolarHBondContact O-CB 3.48Å; K99-V125 WeakPolarHBondContact O-CG1 3.33Å; G101-V125 WeakPolarHBondContact CA-O 3.28Å; G101-V125 PolarHBondContact N-O 3.06Å; D102-V125 HydrophobicContact CB-CG2 4.31Å; D102-V125 PolarHBondContact O-N 2.95Å; V104-V125 HydrophobicContact CG2-CG2 3.63Å; F123-V125 HydrophobicContact CE2-CG2 4.29Å; V125-A127 VanDerWaalsContact C-N 3.35Å
126G94.7Very high97Very high54 Ų5439.4 Ų39.456%0.55723%0.227SC*.THydrogen-bonded Turntrans82.32.4179.600000115.7D100 I124 S128D100-G126 WeakPolarHBondContact OD1-CA 3.42Å; I124-G126 PolarHBondContact O-N 3.38Å; G126-S128 PolarHBondContact O-N 3.08Å
127A94.8Very high96.9Very high28 Ų2841.7 Ų41.723%0.23124%0.237CC..  trans-62.4136.7175.100000112.1I124 V125 I133I124-A127 HydrophobicContact CB-CB 4.06Å; I124-A127 WeakPolarHBondContact O-CB 3.36Å; I124-A127 PolarHBondContact O-N 3.23Å; V125-A127 VanDerWaalsContact C-N 3.35Å; A127-I133 HydrophobicContact CB-CD1 4.02Å; A127-I133 HydrophobicContact CB-CG1 3.77Å
128S94.8Very high96.9Very high37 Ų3741.7 Ų41.726%0.25924%0.237SC..  trans-142.4163.6-179.964.10000110.6G126 E130 N131 P132G126-S128 PolarHBondContact O-N 3.08Å; S128-E130 VanDerWaalsContact C-N 3.29Å; S128-E130 WeakPolarHBondContact CB-OE2 3.05Å; S128-N131 CarbonylContact O-C 3.2Å; S128-N131 PolarHBondContact OG-N 3.38Å; S128-P132 WeakPolarHBondContact O-CA 3.39Å
129K93.5Very high96.9Very high103 Ų10341.9 Ų41.945%0.44824%0.238SC..SBendtrans-73.7-28.8178-64.5-170-177.8-140.60111.6D337 E339 L340K129-D337 WeakPolarHBondContact CE-OD2 3.34Å; K129-D337 IonicContact NZ-OD1 2.76Å; K129-D337 IonicContact NZ-OD2 2.73Å; K129-D337 PolarHBondContact NZ-OD2 3.3Å; K129-E339 IonicContact NZ-OE2 2.68Å; K129-E339 PolarHBondContact NZ-OE2 2.9Å; K129-L340 HydrophobicContact CG-CD2 3.79Å
130E93.4Very high96.9Very high168 Ų16841.9 Ų41.979%0.78524%0.238SC*.SBendtrans-69.2-36.4177.8-61.871.8-157.500111S128S128-E130 VanDerWaalsContact C-N 3.29Å; S128-E130 WeakPolarHBondContact CB-OE2 3.05Å
131N91.4Very high96.9Very high121 Ų12141.8 Ų41.865%0.64724%0.237SC*.SBendtrans-127.977.1174.8-166.924.1000110.9S128S128-N131 CarbonylContact O-C 3.2Å; S128-N131 PolarHBondContact OG-N 3.38Å
132P94.9Very high96.9Very high17 Ų1744 Ų4411%0.1125%0.247CC..  trans-68.2145.2-176.826.9-31.8000110.9S128 K342S128-P132 WeakPolarHBondContact O-CA 3.39Å; P132-K342 HydrophobicContact CB-CD 4.16Å; P132-K342 HydrophobicContact CB-CG 4.2Å; P132-K342 HydrophobicContact CG-CD 3.67Å; P132-K342 VanDerWaalsContact CG-CE 3.42Å; P132-K342 HydrophobicContact CG-CG 4.27Å
133I97.8Very high96.9Very high31 Ų3144 Ų4416%0.15925%0.247CC..BIsolated β-bridgetrans-68.7136179.5-54.7-57.5000109.7I124 A127 K137 A138 L340 Y341 K342I124-I133 HydrophobicContact CB-CD1 4.2Å; I124-I133 HydrophobicContact CB-CG1 4.02Å; I124-I133 HydrophobicContact CG1-CD1 4.49Å; I124-I133 HydrophobicContact CG1-CG1 3.98Å; I124-I133 HydrophobicContact CG1-CG2 4.23Å; I124-I133 HydrophobicContact CG2-CD1 3.73Å; I124-I133 HydrophobicContact CG2-CG1 4.11Å; A127-I133 HydrophobicContact CB-CD1 4.02Å; A127-I133 HydrophobicContact CB-CG1 3.77Å; I133-K137 HydrophobicContact CG2-CB 3.84Å; I133-A138 HydrophobicContact CG2-CB 4.35Å; I133-A138 WeakPolarHBondContact O-CB 3.41Å; I133-L340 PolarHBondContact N-O 2.87Å; I133-Y341 HydrophobicContact CB-CD1 4.02Å; I133-Y341 HydrophobicContact CB-CE1 4.36Å; I133-Y341 HydrophobicContact CG1-CD1 4.43Å; I133-Y341 HydrophobicContact CG1-CE1 4.31Å; I133-K342 PolarHBondContact O-N 2.98Å
134T97.8Very high96.9Very high98 Ų9843 Ų4360%0.60124%0.242SC*.  trans-123176178.259.10000111.8K342T134-K342 WeakPolarHBondContact CA-O 3.31Å; T134-K342 HydrophobicContact CG2-CB 4.14Å
135G97.9Very high96.9Very high40 Ų4044.6 Ų44.641%0.41225%0.249SC..Hα-helixtrans67-153174.900000113.7K137 A138 D139G135-K137 VanDerWaalsContact C-N 3.28Å; G135-K137 PolarHBondContact O-N 3.03Å; G135-K137 VanDerWaalsContact O-N 3.14Å; G135-A138 WeakPolarHBondContact O-CA 3.41Å; G135-A138 WeakPolarHBondContact O-CB 3.3Å; G135-A138 PolarHBondContact O-N 3.42Å; G135-D139 PolarHBondContact O-N 3.35Å
136R98.4Very high96.9Very high81 Ų8146.4 Ų46.431%0.30626%0.258SS..Hα-helixtrans-57.1-34.5-169.4-62.5-58.3-63.1147.3-9.3114.7D139 V140 F175 K176 T230 F313R136-D139 IonicContact CZ-OD2 3.69Å; R136-D139 IonicContact NH1-OD2 2.74Å; R136-D139 PolarHBondContact NH1-OD2 3.33Å; R136-D139 PolarHBondContact O-N 3.48Å; R136-V140 WeakPolarHBondContact O-CG1 3.11Å; R136-V140 PolarHBondContact O-N 3.25Å; R136-F175 PolarHBondContact NH1-O 3.12Å; R136-F175 VanDerWaalsContact NH1-O 3.07Å; R136-K176 PolarHBondContact NH2-O 3.46Å; R136-T230 HydrophobicContact CB-CG2 4.03Å; R136-T230 PolarHBondContact NH2-O 2.93Å; R136-T230 WeakPolarHBondContact O-CG2 3.48Å; R136-F313 HydrophobicContact CB-CD2 4.29Å
137K98.6Very high97.1Very high49 Ų4943.8 Ų43.821%0.21323%0.232CC..Hα-helixtrans-65.9-41.5175.2-73.5177.3-178.8172.30112G101 I124 I133 G135 I141 F313G101-K137 PolarHBondContact O-NZ 2.97Å; I124-K137 HydrophobicContact CD1-CB 4.21Å; I124-K137 HydrophobicContact CD1-CD 3.97Å; I124-K137 HydrophobicContact CD1-CG 4.32Å; I133-K137 HydrophobicContact CG2-CB 3.84Å; G135-K137 VanDerWaalsContact C-N 3.28Å; G135-K137 PolarHBondContact O-N 3.03Å; G135-K137 VanDerWaalsContact O-N 3.14Å; K137-I141 WeakPolarHBondContact O-CB 3.4Å; K137-I141 VanDerWaalsContact O-CG1 3.3Å; K137-I141 WeakPolarHBondContact O-CG1 3.32Å; K137-I141 PolarHBondContact O-N 3.04Å; K137-F313 HydrophobicContact CD-CD1 4.41Å; K137-F313 HydrophobicContact CD-CE1 4.22Å; K137-F313 HydrophobicContact CD-CZ 4.33Å; K137-F313 HydrophobicContact CG-CD1 3.97Å; K137-F313 HydrophobicContact CG-CD2 3.86Å; K137-F313 HydrophobicContact CG-CE1 4.14Å; K137-F313 HydrophobicContact CG-CE2 4Å; K137-F313 HydrophobicContact CG-CG 3.85Å; K137-F313 HydrophobicContact CG-CZ 4.16Å
138A98.6Very high97.3Very high0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-68.5-40.5175.500000111.4I133 G135 K142 K342I133-A138 HydrophobicContact CG2-CB 4.35Å; I133-A138 WeakPolarHBondContact O-CB 3.41Å; G135-A138 WeakPolarHBondContact O-CA 3.41Å; G135-A138 WeakPolarHBondContact O-CB 3.3Å; G135-A138 PolarHBondContact O-N 3.42Å; A138-K142 WeakPolarHBondContact O-CB 3.49Å; A138-K142 VanDerWaalsContact O-CG 3.29Å; A138-K142 WeakPolarHBondContact O-CG 3.48Å; A138-K142 PolarHBondContact O-N 2.94Å; A138-K342 VanDerWaalsContact CB-O 3.27Å; A138-K342 WeakPolarHBondContact CB-O 3.42Å
139D98.7Very high97.4Very high9 Ų942.4 Ų42.45%0.04822%0.217CC..Hα-helixtrans-56.8-54177.4-60.6-22.9000111.3G135 R136 K142 A143 F175 S343 H345G135-D139 PolarHBondContact O-N 3.35Å; R136-D139 IonicContact CZ-OD2 3.69Å; R136-D139 IonicContact NH1-OD2 2.74Å; R136-D139 PolarHBondContact NH1-OD2 3.33Å; R136-D139 PolarHBondContact O-N 3.48Å; D139-K142 PolarHBondContact O-N 3.44Å; D139-A143 VanDerWaalsContact O-CB 3.3Å; D139-A143 WeakPolarHBondContact O-CB 3.37Å; D139-A143 PolarHBondContact O-N 3.45Å; D139-F175 HydrophobicContact CB-CB 4.42Å; D139-S343 VanDerWaalsContact OD1-CB 3.28Å; D139-S343 WeakPolarHBondContact OD1-CB 3.49Å; D139-S343 PolarHBondContact OD1-OG 2.96Å; D139-H345 IonicContact OD1-CD2 3.96Å; D139-H345 IonicContact OD2-CD2 2.76Å
140V98.8Very high97.7Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-70.5-37.1-173.674.40000112.7L103 R136 A143 A144 V228 T230 F313 A315L103-V140 HydrophobicContact CD1-CG1 3.97Å; R136-V140 WeakPolarHBondContact O-CG1 3.11Å; R136-V140 PolarHBondContact O-N 3.25Å; V140-A143 PolarHBondContact O-N 3.29Å; V140-A144 WeakPolarHBondContact O-CB 3.22Å; V140-A144 PolarHBondContact O-N 2.82Å; V140-V228 HydrophobicContact CG2-CB 4.21Å; V140-V228 HydrophobicContact CG2-CG1 4.03Å; V140-V228 WeakPolarHBondContact CG2-O 3.35Å; V140-T230 HydrophobicContact CB-CG2 3.53Å; V140-T230 HydrophobicContact CG1-CG2 3.86Å; V140-T230 HydrophobicContact CG2-CG2 3.98Å; V140-F313 HydrophobicContact CG1-CB 4.09Å; V140-A315 HydrophobicContact CG1-CB 4.1Å; V140-A315 HydrophobicContact CG2-CB 4.15Å
141I98.8Very high97.9Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-64.9-44.9175.9-73.5175000110.3L103 I124 K137 A144 H145 A315 F317 F336 Y341L103-I141 HydrophobicContact CD1-CD1 4.09Å; L103-I141 HydrophobicContact CD1-CG1 4.03Å; L103-I141 HydrophobicContact CG-CD1 4.29Å; I124-I141 HydrophobicContact CD1-CD1 3.69Å; I124-I141 HydrophobicContact CG1-CD1 3.72Å; K137-I141 WeakPolarHBondContact O-CB 3.4Å; K137-I141 VanDerWaalsContact O-CG1 3.3Å; K137-I141 WeakPolarHBondContact O-CG1 3.32Å; K137-I141 PolarHBondContact O-N 3.04Å; I141-A144 PolarHBondContact O-N 3.41Å; I141-H145 VanDerWaalsContact O-CB 3.31Å; I141-H145 WeakPolarHBondContact O-CB 3.48Å; I141-H145 PolarHBondContact O-N 3.01Å; I141-A315 HydrophobicContact CG1-CB 3.97Å; I141-F317 HydrophobicContact CG2-CE2 4.48Å; I141-F317 HydrophobicContact CG2-CZ 4.27Å; I141-F336 HydrophobicContact CG2-CE2 3.6Å; I141-F336 HydrophobicContact CG2-CZ 4.37Å; I141-Y341 HydrophobicContact CB-CD1 4.36Å; I141-Y341 HydrophobicContact CB-CE1 4.44Å; I141-Y341 HydrophobicContact CD1-CD1 4.09Å; I141-Y341 HydrophobicContact CD1-CE1 3.51Å; I141-Y341 HydrophobicContact CG2-CD1 4.03Å; I141-Y341 HydrophobicContact CG2-CD2 4.02Å; I141-Y341 HydrophobicContact CG2-CE1 3.96Å; I141-Y341 HydrophobicContact CG2-CE2 3.93Å; I141-Y341 HydrophobicContact CG2-CG 4.06Å
142K98.5Very high98.1Very high56 Ų5624.3 Ų24.324%0.24313%0.131CC..Hα-helixtrans-66.3-41.4177-71.2-179.680.1159.30111.7A138 D139 H145 L146 F175 Y341A138-K142 WeakPolarHBondContact O-CB 3.49Å; A138-K142 VanDerWaalsContact O-CG 3.29Å; A138-K142 WeakPolarHBondContact O-CG 3.48Å; A138-K142 PolarHBondContact O-N 2.94Å; D139-K142 PolarHBondContact O-N 3.44Å; K142-H145 PolarHBondContact O-N 2.86Å; K142-L146 WeakPolarHBondContact O-CB 3.46Å; K142-L146 VanDerWaalsContact O-CG 3.26Å; K142-L146 WeakPolarHBondContact O-CG 3.29Å; K142-L146 PolarHBondContact O-N 3.23Å; K142-F175 HydrophobicContact CB-CD1 4.36Å; K142-F175 HydrophobicContact CB-CE1 3.81Å; K142-F175 HydrophobicContact CB-CZ 4.25Å; K142-Y341 WeakPolarHBondContact CD-O 3.39Å; K142-Y341 PolarHBondContact NZ-O 3.41Å
143A98.7Very high98.2Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-57.5-53175.200000111.4D139 V140 H145 L146 C147 F175 C177 V228D139-A143 VanDerWaalsContact O-CB 3.3Å; D139-A143 WeakPolarHBondContact O-CB 3.37Å; D139-A143 PolarHBondContact O-N 3.45Å; V140-A143 PolarHBondContact O-N 3.29Å; A143-H145 VanDerWaalsContact C-N 3.35Å; A143-H145 PolarHBondContact O-N 2.88Å; A143-L146 PolarHBondContact O-N 3.09Å; A143-C147 WeakPolarHBondContact O-CB 3.41Å; A143-C147 PolarHBondContact O-N 3.48Å; A143-C147 PolarHBondContact O-SG 3.38Å; A143-C147 VanDerWaalsContact O-SG 3.34Å; A143-F175 HydrophobicContact CB-CB 3.79Å; A143-F175 HydrophobicContact CB-CD2 3.85Å; A143-F175 HydrophobicContact CB-CG 3.84Å; A143-C177 HydrophobicContact CB-CB 4.33Å; A143-V228 HydrophobicContact CB-CG1 4.21Å
144A98.8Very high98.2Very high0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-62.4-40.6179.400000112.2V140 I141 C147 A148 V226 V228 A315 F317V140-A144 WeakPolarHBondContact O-CB 3.22Å; V140-A144 PolarHBondContact O-N 2.82Å; I141-A144 PolarHBondContact O-N 3.41Å; A144-C147 WeakPolarHBondContact O-CB 3.19Å; A144-C147 PolarHBondContact O-N 3.47Å; A144-A148 PolarHBondContact O-N 2.9Å; A144-V226 HydrophobicContact CB-CG1 4.3Å; A144-V228 HydrophobicContact CB-CB 4.01Å; A144-V228 HydrophobicContact CB-CG2 3.87Å; A144-A315 HydrophobicContact CB-CB 3.78Å; A144-F317 HydrophobicContact CB-CD2 3.66Å; A144-F317 HydrophobicContact CB-CE2 3.89Å
145H98.6Very high98.2Very high39 Ų3919.9 Ų19.918%0.18110%0.1CC..Hα-helixtrans-63.9-44.8176.8-178.468.4000112.1I141 K142 A143 C147 A148 E149 F317 F336I141-H145 VanDerWaalsContact O-CB 3.31Å; I141-H145 WeakPolarHBondContact O-CB 3.48Å; I141-H145 PolarHBondContact O-N 3.01Å; K142-H145 PolarHBondContact O-N 2.86Å; A143-H145 VanDerWaalsContact C-N 3.35Å; A143-H145 PolarHBondContact O-N 2.88Å; H145-C147 VanDerWaalsContact C-N 3.33Å; H145-C147 PolarHBondContact O-N 2.76Å; H145-A148 WeakPolarHBondContact O-CB 3.46Å; H145-A148 PolarHBondContact O-N 3.11Å; H145-A148 VanDerWaalsContact O-N 3.16Å; H145-E149 PolarHBondContact O-N 3.35Å; H145-F317 HydrophobicContact CB-CD2 4.29Å; H145-F317 HydrophobicContact CB-CE2 3.78Å; H145-F317 HydrophobicContact CB-CZ 3.95Å; H145-F336 HydrophobicContact CB-CE1 4.21Å; H145-F336 HydrophobicContact CB-CE2 4.21Å; H145-F336 HydrophobicContact CB-CZ 4.01Å; H145-F336 AromaticContact CD2-CD1 3.51Å; H145-F336 AromaticContact CD2-CE1 3.29Å; H145-F336 WeakPolarHBondContact CD2-CE1 3.4Å; H145-F336 AromaticContact CD2-CZ 3.97Å; H145-F336 AromaticContact CE1-CD1 3.35Å; H145-F336 WeakPolarHBondContact CE1-CD1 3.43Å; H145-F336 AromaticContact CE1-CE1 3.98Å; H145-F336 AromaticContact CE1-CG 3.72Å; H145-F336 AromaticContact CG-CD1 3.62Å; H145-F336 AromaticContact CG-CE1 3.54Å; H145-F336 AromaticContact CG-CG 3.97Å; H145-F336 AromaticContact CG-CZ 3.85Å; H145-F336 AromaticContact ND1-CD1 3.52Å; H145-F336 AromaticContact ND1-CE1 3.96Å; H145-F336 AromaticContact ND1-CG 3.59Å; H145-F336 AromaticContact NE2-CD1 3.33Å; H145-F336 VanDerWaalsContact NE2-CD1 3.33Å; H145-F336 WeakPolarHBondContact NE2-CD1 3.47Å; H145-F336 AromaticContact NE2-CE1 3.6Å
146L98.5Very high98.1Very high43 Ų4321.7 Ų21.723%0.22510%0.097CC..Hα-helixtrans-67.2-34.6177.4-68.7175.4000112K142 A143 E149 A150 I171 F175 V347 L356K142-L146 WeakPolarHBondContact O-CB 3.46Å; K142-L146 VanDerWaalsContact O-CG 3.26Å; K142-L146 WeakPolarHBondContact O-CG 3.29Å; K142-L146 PolarHBondContact O-N 3.23Å; A143-L146 PolarHBondContact O-N 3.09Å; L146-E149 PolarHBondContact O-N 3.16Å; L146-A150 WeakPolarHBondContact O-CB 3.41Å; L146-A150 PolarHBondContact O-N 3.38Å; L146-I171 HydrophobicContact CB-CG2 3.75Å; L146-F175 HydrophobicContact CD1-CE2 3.64Å; L146-F175 HydrophobicContact CD1-CZ 3.55Å; L146-V347 HydrophobicContact CD1-CG2 3.91Å; L146-L356 HydrophobicContact CB-CD2 4.48Å; L146-L356 HydrophobicContact CD2-CD1 4.24Å; L146-L356 HydrophobicContact CD2-CD2 4.26Å; L146-L356 WeakPolarHBondContact O-CD2 3.27Å
147C98.8Very high98.1Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-59.8-44.5169.4-770000111.5A143 A144 H145 E149 A150 A151 W168 V226A143-C147 WeakPolarHBondContact O-CB 3.41Å; A143-C147 PolarHBondContact O-N 3.48Å; A143-C147 PolarHBondContact O-SG 3.38Å; A143-C147 VanDerWaalsContact O-SG 3.34Å; A144-C147 WeakPolarHBondContact O-CB 3.19Å; A144-C147 PolarHBondContact O-N 3.47Å; H145-C147 VanDerWaalsContact C-N 3.33Å; H145-C147 PolarHBondContact O-N 2.76Å; C147-E149 PolarHBondContact O-N 2.84Å; C147-A150 PolarHBondContact O-N 3.32Å; C147-A151 WeakPolarHBondContact O-CB 3.29Å; C147-A151 PolarHBondContact O-N 2.99Å; C147-W168 HydrophobicContact CB-CG 4.13Å; C147-W168 PolarHBondContact O-NE1 3.16Å; C147-V226 HydrophobicContact CB-CG1 3.52Å; C147-V226 HydrophobicContact CB-CG2 4.42Å
148A98.3Very high98Very high4 Ų419.7 Ų19.73%0.03311%0.108CC..Hα-helixtrans-62.6-42.1175.700000112.3A144 H145 A151 L152 V226 F317 F319A144-A148 PolarHBondContact O-N 2.9Å; H145-A148 WeakPolarHBondContact O-CB 3.46Å; H145-A148 PolarHBondContact O-N 3.11Å; H145-A148 VanDerWaalsContact O-N 3.16Å; A148-A151 PolarHBondContact O-N 3.49Å; A148-L152 PolarHBondContact O-N 2.89Å; A148-V226 HydrophobicContact CB-CG2 4.26Å; A148-F317 HydrophobicContact CB-CB 3.89Å; A148-F319 HydrophobicContact CB-CD1 4.43Å; A148-F319 HydrophobicContact CB-CE1 3.92Å
149E97.7Very high98Very high32 Ų3220.9 Ų20.915%0.1511%0.114CC..Hα-helixtrans-68.5-34.1177-74.1-62.5130.600113.1H145 L146 C147 R153 R330 L356H145-E149 PolarHBondContact O-N 3.35Å; L146-E149 PolarHBondContact O-N 3.16Å; C147-E149 PolarHBondContact O-N 2.84Å; E149-R153 WeakPolarHBondContact O-CD 3.5Å; E149-R153 WeakPolarHBondContact O-CG 3.38Å; E149-R153 PolarHBondContact O-NH1 2.85Å; E149-R153 IonicContact OE2-CZ 3.83Å; E149-R153 IonicContact OE2-NH1 3.95Å; E149-R153 PolarHBondContact OE2-NH1 2.99Å; E149-R153 IonicContact OE2-NH2 2.73Å; E149-R330 IonicContact OE1-CZ 2.72Å; E149-R330 IonicContact OE1-NH1 2.67Å; E149-R330 PolarHBondContact OE1-NH1 2.98Å; E149-L356 HydrophobicContact CB-CD2 4.13Å
150A98.2Very high97.9Very high0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-66-46171.300000111.2L146 C147 L152 R153 L154 I171 L355 L356L146-A150 WeakPolarHBondContact O-CB 3.41Å; L146-A150 PolarHBondContact O-N 3.38Å; C147-A150 PolarHBondContact O-N 3.32Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.81Å; A150-R153 PolarHBondContact O-N 2.96Å; A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CG 3.49Å; A150-L154 PolarHBondContact O-N 3.01Å; A150-I171 HydrophobicContact CB-CD1 3.45Å; A150-I171 VanDerWaalsContact CB-CD1 3.45Å; A150-L355 HydrophobicContact CB-CD2 4.36Å; A150-L356 HydrophobicContact CB-CD2 4.13Å
151A98.1Very high97.9Very high0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-59.8-41.9177.200000112C147 A148 R153 L154 V155 V164 W168 V224 F319C147-A151 WeakPolarHBondContact O-CB 3.29Å; C147-A151 PolarHBondContact O-N 2.99Å; A148-A151 PolarHBondContact O-N 3.49Å; A151-R153 PolarHBondContact O-N 2.89Å; A151-L154 PolarHBondContact O-N 3.27Å; A151-L154 VanDerWaalsContact O-N 3.12Å; A151-V155 HydrophobicContact CB-CG2 4.36Å; A151-V155 WeakPolarHBondContact O-CB 3.4Å; A151-V155 VanDerWaalsContact O-CG2 3.31Å; A151-V155 WeakPolarHBondContact O-CG2 3.41Å; A151-V155 PolarHBondContact O-N 3.17Å; A151-V164 HydrophobicContact CB-CG1 4.05Å; A151-W168 HydrophobicContact CB-CZ2 3.68Å; A151-V224 HydrophobicContact CB-CG1 3.7Å; A151-F319 HydrophobicContact CB-CZ 4.35Å
152L96.1Very high97.8Very high12 Ų1225.9 Ų25.96%0.06314%0.139CC..Hα-helixtrans-56.7-24.6175.5-178.461000113.5A148 A150 F319 V321 R330 A360A148-L152 PolarHBondContact O-N 2.89Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.81Å; L152-F319 HydrophobicContact CB-CE2 4.42Å; L152-F319 HydrophobicContact CB-CZ 4.1Å; L152-F319 HydrophobicContact CD1-CE2 4.12Å; L152-V321 HydrophobicContact CD1-CG2 4.4Å; L152-R330 HydrophobicContact CD1-CB 3.88Å; L152-A360 HydrophobicContact CD2-CB 3.79Å; L152-A360 HydrophobicContact CG-CB 3.92Å
153R96.7Very high97.8Very high30 Ų3027 Ų2711%0.11315%0.145CC..Hα-helixtrans-98.2-22.9-179.7-66.8165.617470.8-6.4113.6E149 A150 A151 L355 L356 S358 A360E149-R153 WeakPolarHBondContact O-CD 3.5Å; E149-R153 WeakPolarHBondContact O-CG 3.38Å; E149-R153 PolarHBondContact O-NH1 2.85Å; E149-R153 IonicContact OE2-CZ 3.83Å; E149-R153 IonicContact OE2-NH1 3.95Å; E149-R153 PolarHBondContact OE2-NH1 2.99Å; E149-R153 IonicContact OE2-NH2 2.73Å; A150-R153 PolarHBondContact O-N 2.96Å; A151-R153 PolarHBondContact O-N 2.89Å; R153-L355 HydrophobicContact CB-CD1 3.85Å; R153-L355 HydrophobicContact CB-CG 4.41Å; R153-L355 WeakPolarHBondContact CD-O 3.42Å; R153-L355 PolarHBondContact NE-O 2.93Å; R153-L356 PolarHBondContact NE-O 3.35Å; R153-L356 PolarHBondContact NH2-O 2.52Å; R153-S358 PolarHBondContact NE-O 3.2Å; R153-S358 PolarHBondContact NH2-O 2.98Å; R153-A360 HydrophobicContact CG-CB 4.33Å
154L97.8Very high97.8Very high21 Ų2127 Ų2711%0.1115%0.145CC..Hα-helixtrans-99.5-29.5-176.5-67.5173.8000113.3A150 A151 K156 N159 V164 A167 L355A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CG 3.49Å; A150-L154 PolarHBondContact O-N 3.01Å; A151-L154 PolarHBondContact O-N 3.27Å; A151-L154 VanDerWaalsContact O-N 3.12Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.96Å; L154-N159 WeakPolarHBondContact O-CB 3.46Å; L154-N159 PolarHBondContact O-ND2 3.31Å; L154-V164 HydrophobicContact CB-CG2 3.85Å; L154-A167 HydrophobicContact CD1-CB 3.52Å; L154-L355 HydrophobicContact CD1-CD2 3.87Å; L154-L355 HydrophobicContact CD2-CD1 4.17Å; L154-L355 HydrophobicContact CD2-CD2 3.95Å; L154-L355 HydrophobicContact CG-CD2 3.86Å
155V97.9Very high97.8Very high1 Ų127.2 Ų27.21%0.00615%0.147CC..SBendtrans-79.586174.4-175.20000108.2A151 V164 I199 F216 Y222 V224 V321 L323A151-V155 HydrophobicContact CB-CG2 4.36Å; A151-V155 WeakPolarHBondContact O-CB 3.4Å; A151-V155 VanDerWaalsContact O-CG2 3.31Å; A151-V155 WeakPolarHBondContact O-CG2 3.41Å; A151-V155 PolarHBondContact O-N 3.17Å; V155-V164 HydrophobicContact CG2-CG1 4.46Å; V155-V164 HydrophobicContact CG2-CG2 3.85Å; V155-I199 HydrophobicContact CG2-CD1 3.61Å; V155-F216 HydrophobicContact CB-CE2 4.42Å; V155-F216 HydrophobicContact CB-CZ 4.46Å; V155-F216 HydrophobicContact CG1-CD1 4.15Å; V155-F216 HydrophobicContact CG1-CD2 4.47Å; V155-F216 HydrophobicContact CG1-CE1 3.99Å; V155-F216 HydrophobicContact CG1-CE2 4.32Å; V155-F216 HydrophobicContact CG1-CG 4.39Å; V155-F216 HydrophobicContact CG1-CZ 4.08Å; V155-F216 HydrophobicContact CG2-CE2 4.31Å; V155-F216 HydrophobicContact CG2-CZ 4.1Å; V155-Y222 HydrophobicContact CG1-CD2 4.22Å; V155-Y222 HydrophobicContact CG1-CG 4.39Å; V155-V224 HydrophobicContact CG2-CG2 4.23Å; V155-V321 HydrophobicContact CG1-CG1 4.33Å; V155-L323 HydrophobicContact CG1-CD1 4.47Å; V155-L323 HydrophobicContact CG1-CD2 4.29Å; V155-L323 WeakPolarHBondContact O-CD2 3.26Å
156K96.2Very high97.8Very high79 Ų7930.7 Ų30.734%0.34316%0.163SC..SBendtrans-149.9155.9-179.768-175.4177.3-165.30109.6L154 G158 N159 F216 P328L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.96Å; K156-G158 PolarHBondContact O-N 3.19Å; K156-N159 WeakPolarHBondContact CE-ND2 3.3Å; K156-N159 VanDerWaalsContact CE-OD1 3.27Å; K156-N159 WeakPolarHBondContact CE-OD1 3.11Å; K156-N159 HydrophobicContact CG-CB 4.33Å; K156-N159 WeakPolarHBondContact O-CB 3.39Å; K156-N159 PolarHBondContact O-N 2.92Å; K156-N159 VanDerWaalsContact O-N 3.17Å; K156-F216 WeakPolarHBondContact O-CB 3.31Å; K156-P328 HydrophobicContact CB-CG 4.41Å
157P97.4Very high97.8Very high43 Ų4329 Ų2928%0.27916%0.155SC..THydrogen-bonded Turntrans-53.8135-180-27.435000113.2F216 V218 L323P157-F216 CarbonylContact C-O 3.56Å; P157-F216 WeakPolarHBondContact CA-O 3.16Å; P157-V218 HydrophobicContact CB-CG2 3.75Å; P157-V218 HydrophobicContact CG-CB 4.39Å; P157-V218 HydrophobicContact CG-CG2 3.68Å; P157-L323 HydrophobicContact CG-CB 4.24Å
158G96.9Very high97.8Very high45 Ų4529 Ų2946%0.46416%0.155SC..THydrogen-bonded Turntrans90.8-11.4-178.400000115.7K156 E215 F216K156-G158 PolarHBondContact O-N 3.19Å; G158-E215 WeakPolarHBondContact CA-OE1 3.09Å; G158-F216 PolarHBondContact N-O 3.29Å
159N98.1Very high97.8Very high25 Ų2530 Ų3013%0.13416%0.16CC..  trans-90.4160.2173.2-83.624.3000110.8L154 K156 Q163 E215 F216L154-N159 WeakPolarHBondContact O-CB 3.46Å; L154-N159 PolarHBondContact O-ND2 3.31Å; K156-N159 WeakPolarHBondContact CE-ND2 3.3Å; K156-N159 VanDerWaalsContact CE-OD1 3.27Å; K156-N159 WeakPolarHBondContact CE-OD1 3.11Å; K156-N159 HydrophobicContact CG-CB 4.33Å; K156-N159 WeakPolarHBondContact O-CB 3.39Å; K156-N159 PolarHBondContact O-N 2.92Å; K156-N159 VanDerWaalsContact O-N 3.17Å; N159-Q163 PolarHBondContact ND2-OE1 3.18Å; N159-Q163 VanDerWaalsContact ND2-OE1 3.12Å; N159-E215 WeakPolarHBondContact O-CA 3.24Å; N159-F216 HydrophobicContact CB-CD2 3.99Å; N159-F216 HydrophobicContact CB-CE2 4.48Å; N159-F216 WeakPolarHBondContact O-CD2 3.49Å; N159-F216 PolarHBondContact O-N 2.85Å
160Q98.1Very high97.9Very high79 Ų7933.3 Ų33.337%0.36917%0.174SC..BIsolated β-bridgetrans-104.6151.8175.5-65.6-176.84.800111.8T162 Q163 A214Q160-T162 PolarHBondContact O-N 3.49Å; Q160-Q163 WeakPolarHBondContact O-CB 3.39Å; Q160-Q163 PolarHBondContact O-N 3.01Å; Q160-A214 WeakPolarHBondContact CA-O 3.47Å
161N97.9Very high97.9Very high1 Ų133.3 Ų33.31%0.00517%0.174CC..Hα-helixtrans-55.8-36.4175.358.90.5000113.4Q163 V164 T165 T198 I199 H211 E212 A214 F216N161-Q163 VanDerWaalsContact C-N 3.29Å; N161-Q163 PolarHBondContact O-N 3.47Å; N161-V164 WeakPolarHBondContact O-CB 3.48Å; N161-V164 PolarHBondContact O-N 2.79Å; N161-T165 PolarHBondContact O-N 2.96Å; N161-T165 PolarHBondContact O-OG1 3.01Å; N161-T198 WeakPolarHBondContact CB-O 3.36Å; N161-T198 PolarHBondContact ND2-O 3.01Å; N161-I199 HydrophobicContact CB-CG1 4.23Å; N161-H211 PolarHBondContact ND2-CE1 3.26Å; N161-H211 VanDerWaalsContact ND2-CE1 3.32Å; N161-E212 PolarHBondContact ND2-O 2.94Å; N161-A214 PolarHBondContact N-O 3.43Å; N161-A214 PolarHBondContact ND2-N 3.26Å; N161-A214 PolarHBondContact OD1-N 3.12Å; N161-F216 HydrophobicContact CB-CZ 4.12Å
162T97.8Very high97.9Very high34 Ų3433.3 Ų33.321%0.20917%0.174CC..Hα-helixtrans-55.6-38.5177.651.40000113.6Q160 V164 T165 E166 K213Q160-T162 PolarHBondContact O-N 3.49Å; T162-V164 VanDerWaalsContact C-N 3.26Å; T162-V164 PolarHBondContact O-N 3.5Å; T162-T165 PolarHBondContact O-N 2.93Å; T162-E166 WeakPolarHBondContact O-CG 3.27Å; T162-E166 PolarHBondContact O-N 2.84Å; T162-K213 HydrophobicContact CG2-CD 4.23Å; T162-K213 HydrophobicContact CG2-CG 3.99Å
163Q98.4Very high98Very high79 Ų7937.5 Ų37.537%0.36919%0.193SC..Hα-helixtrans-63.2-35.1179.2-63175.3-13.900111.7N159 Q160 N161 A167N159-Q163 PolarHBondContact ND2-OE1 3.18Å; N159-Q163 VanDerWaalsContact ND2-OE1 3.12Å; Q160-Q163 WeakPolarHBondContact O-CB 3.39Å; Q160-Q163 PolarHBondContact O-N 3.01Å; N161-Q163 VanDerWaalsContact C-N 3.29Å; N161-Q163 PolarHBondContact O-N 3.47Å; Q163-A167 WeakPolarHBondContact O-CB 3.43Å; Q163-A167 PolarHBondContact O-N 2.87Å; Q163-A167 VanDerWaalsContact O-N 3.17Å
164V98.6Very high98.1Very high0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-70.5-47.5177.7-174.10000109.8A151 L154 V155 N161 T162 E166 A167 W168 I199 F216A151-V164 HydrophobicContact CB-CG1 4.05Å; L154-V164 HydrophobicContact CB-CG2 3.85Å; V155-V164 HydrophobicContact CG2-CG1 4.46Å; V155-V164 HydrophobicContact CG2-CG2 3.85Å; N161-V164 WeakPolarHBondContact O-CB 3.48Å; N161-V164 PolarHBondContact O-N 2.79Å; T162-V164 VanDerWaalsContact C-N 3.26Å; T162-V164 PolarHBondContact O-N 3.5Å; V164-E166 VanDerWaalsContact C-N 3.35Å; V164-E166 PolarHBondContact O-N 2.9Å; V164-A167 PolarHBondContact O-N 3.23Å; V164-W168 HydrophobicContact CG1-CD2 3.91Å; V164-W168 HydrophobicContact CG1-CE3 4.16Å; V164-W168 HydrophobicContact CG1-CH2 3.91Å; V164-W168 HydrophobicContact CG1-CZ2 3.58Å; V164-W168 HydrophobicContact CG1-CZ3 4.16Å; V164-W168 PolarHBondContact O-N 3.31Å; V164-I199 HydrophobicContact CB-CG2 3.85Å; V164-I199 HydrophobicContact CG1-CD1 4.34Å; V164-I199 HydrophobicContact CG1-CG2 3.93Å; V164-I199 HydrophobicContact CG2-CD1 4.41Å; V164-F216 HydrophobicContact CG2-CE2 4.03Å; V164-F216 HydrophobicContact CG2-CZ 4.21Å
165T98.6Very high98.1Very high5 Ų536.6 Ų36.63%0.03119%0.192CC..Hα-helixtrans-56.3-46.4177.1-56.40000112N161 T162 W168 N169 I200 P203N161-T165 PolarHBondContact O-N 2.96Å; N161-T165 PolarHBondContact O-OG1 3.01Å; T162-T165 PolarHBondContact O-N 2.93Å; T165-W168 PolarHBondContact O-N 3.44Å; T165-N169 PolarHBondContact O-N 3.24Å; T165-I200 WeakPolarHBondContact CB-O 3.32Å; T165-I200 WeakPolarHBondContact CG2-O 3.46Å; T165-I200 PolarHBondContact OG1-O 2.89Å; T165-P203 HydrophobicContact CG2-CG 4.35Å
166E98.2Very high98.1Very high111 Ų11143.2 Ų43.252%0.51922%0.221SC..Hα-helixtrans-65.8-42179.5-72.4174.5-172.500112.4T162 V164 N169 K170T162-E166 WeakPolarHBondContact O-CG 3.27Å; T162-E166 PolarHBondContact O-N 2.84Å; V164-E166 VanDerWaalsContact C-N 3.35Å; V164-E166 PolarHBondContact O-N 2.9Å; E166-N169 PolarHBondContact O-N 3.11Å; E166-K170 PolarHBondContact O-N 3.01Å; E166-K170 VanDerWaalsContact O-N 3.16Å
167A98.6Very high98.3Very high7 Ų739.5 Ų39.56%0.05821%0.205CC..Hα-helixtrans-62.5-43.2176.600000111.7L154 Q163 V164 N169 K170 I171 L352L154-A167 HydrophobicContact CD1-CB 3.52Å; Q163-A167 WeakPolarHBondContact O-CB 3.43Å; Q163-A167 PolarHBondContact O-N 2.87Å; Q163-A167 VanDerWaalsContact O-N 3.17Å; V164-A167 PolarHBondContact O-N 3.23Å; A167-N169 PolarHBondContact O-N 2.73Å; A167-K170 PolarHBondContact O-N 2.84Å; A167-I171 WeakPolarHBondContact O-CB 3.47Å; A167-I171 VanDerWaalsContact O-CG1 3.26Å; A167-I171 WeakPolarHBondContact O-CG1 3.31Å; A167-I171 PolarHBondContact O-N 2.95Å; A167-L352 HydrophobicContact CB-CD2 3.98Å
168W98.8Very high98.3Very high2 Ų238.5 Ų38.51%0.00820%0.199CC..Hα-helixtrans-59.2-44.7176.9-73.8-18.6000112.8C147 A151 V164 T165 I171 A172 P179 I199 Q201 V224 V226C147-W168 HydrophobicContact CB-CG 4.13Å; C147-W168 PolarHBondContact O-NE1 3.16Å; A151-W168 HydrophobicContact CB-CZ2 3.68Å; V164-W168 HydrophobicContact CG1-CD2 3.91Å; V164-W168 HydrophobicContact CG1-CE3 4.16Å; V164-W168 HydrophobicContact CG1-CH2 3.91Å; V164-W168 HydrophobicContact CG1-CZ2 3.58Å; V164-W168 HydrophobicContact CG1-CZ3 4.16Å; V164-W168 PolarHBondContact O-N 3.31Å; T165-W168 PolarHBondContact O-N 3.44Å; W168-I171 PolarHBondContact O-N 2.82Å; W168-A172 WeakPolarHBondContact O-CB 3.38Å; W168-A172 PolarHBondContact O-N 3.33Å; W168-P179 HydrophobicContact CB-CG 4.49Å; W168-I199 HydrophobicContact CE3-CG2 4.44Å; W168-I199 HydrophobicContact CH2-CB 4.46Å; W168-I199 HydrophobicContact CH2-CG2 3.95Å; W168-I199 HydrophobicContact CZ3-CB 4.42Å; W168-I199 HydrophobicContact CZ3-CG2 3.64Å; W168-Q201 HydrophobicContact CE3-CG 3.49Å; W168-Q201 VanDerWaalsContact CE3-CG 3.49Å; W168-Q201 HydrophobicContact CH2-CG 4.33Å; W168-Q201 HydrophobicContact CZ3-CG 3.34Å; W168-V224 HydrophobicContact CH2-CG1 4.18Å; W168-V224 HydrophobicContact CZ2-CG1 3.79Å; W168-V226 HydrophobicContact CH2-CG2 4.31Å; W168-V226 HydrophobicContact CZ2-CG2 3.55Å
169N98.4Very high98.4Very high25 Ų2536.4 Ų36.413%0.13418%0.177CC..Hα-helixtrans-61.5-47.2177.6-73.4-23.6000111.8T165 E166 A167 I171 H173T165-N169 PolarHBondContact O-N 3.24Å; E166-N169 PolarHBondContact O-N 3.11Å; A167-N169 PolarHBondContact O-N 2.73Å; N169-I171 PolarHBondContact O-N 2.93Å; N169-H173 WeakPolarHBondContact O-CB 3.32Å; N169-H173 PolarHBondContact O-N 2.9Å; N169-H173 PolarHBondContact O-ND1 2.89Å; N169-H173 VanDerWaalsContact O-ND1 3.07Å
170K98.4Very high98.5Very high101 Ų10135.2 Ų35.244%0.43917%0.171SC..Hα-helixtrans-61.7-42.4178.2-72.8-177.6176-168.80112.5E166 A167 S174 D349 L352E166-K170 PolarHBondContact O-N 3.01Å; E166-K170 VanDerWaalsContact O-N 3.16Å; A167-K170 PolarHBondContact O-N 2.84Å; K170-S174 PolarHBondContact O-N 2.91Å; K170-S174 PolarHBondContact O-OG 3.09Å; K170-D349 IonicContact NZ-OD2 3.59Å; K170-D349 PolarHBondContact NZ-OD2 2.79Å; K170-L352 HydrophobicContact CB-CD1 3.42Å; K170-L352 VanDerWaalsContact CB-CD1 3.42Å; K170-L352 HydrophobicContact CD-CD1 3.78Å; K170-L352 HydrophobicContact CG-CD1 4.28Å
171I98.6Very high98.5Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-64.9-54178.4-68.5168.4000109.8L146 A150 A167 W168 N169 H173 S174 F175 V347 L352L146-I171 HydrophobicContact CB-CG2 3.75Å; A150-I171 HydrophobicContact CB-CD1 3.45Å; A150-I171 VanDerWaalsContact CB-CD1 3.45Å; A167-I171 WeakPolarHBondContact O-CB 3.47Å; A167-I171 VanDerWaalsContact O-CG1 3.26Å; A167-I171 WeakPolarHBondContact O-CG1 3.31Å; A167-I171 PolarHBondContact O-N 2.95Å; W168-I171 PolarHBondContact O-N 2.82Å; N169-I171 PolarHBondContact O-N 2.93Å; I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 3.35Å; I171-S174 VanDerWaalsContact O-CB 3.26Å; I171-S174 WeakPolarHBondContact O-CB 3.39Å; I171-S174 PolarHBondContact O-N 3.03Å; I171-F175 WeakPolarHBondContact O-CD2 3.21Å; I171-V347 HydrophobicContact CG1-CG2 4.26Å; I171-V347 HydrophobicContact CG2-CG2 4.13Å; I171-L352 HydrophobicContact CG1-CD1 4.05Å
172A98.5Very high98.4Very high0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-58.7-44.1-177.300000112.3W168 S174 F175 K176 C177 P179 V228W168-A172 WeakPolarHBondContact O-CB 3.38Å; W168-A172 PolarHBondContact O-N 3.33Å; A172-S174 PolarHBondContact O-N 3.25Å; A172-F175 CarbonylContact O-C 3.47Å; A172-F175 PolarHBondContact O-N 2.85Å; A172-K176 PolarHBondContact O-N 2.96Å; A172-C177 CarbonylContact C-O 3.58Å; A172-C177 HydrophobicContact CB-CB 4.47Å; A172-C177 WeakPolarHBondContact CB-O 3.37Å; A172-C177 PolarHBondContact O-N 2.97Å; A172-C177 VanDerWaalsContact O-O 3.11Å; A172-P179 HydrophobicContact CB-CG 3.79Å; A172-V228 HydrophobicContact CB-CG1 4.06Å
173H98.4Very high98.5Very high100 Ų10035.7 Ų35.746%0.46318%0.175SC..Hα-helixtrans-63.3-27.7177.7-68.2150.3000113.6N169 I171 F175 K176 C177N169-H173 WeakPolarHBondContact O-CB 3.32Å; N169-H173 PolarHBondContact O-N 2.9Å; N169-H173 PolarHBondContact O-ND1 2.89Å; N169-H173 VanDerWaalsContact O-ND1 3.07Å; I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 3.35Å; H173-F175 PolarHBondContact O-N 2.82Å; H173-K176 PolarHBondContact O-N 3.34Å; H173-C177 PolarHBondContact CD2-O 3.46Å; H173-C177 PolarHBondContact N-O 3.4Å
174S98.4Very high98.5Very high29 Ų2934.9 Ų34.920%0.20317%0.173CC..Hα-helixtrans-62.2-26174.1-58.90000112.2K170 I171 A172 H345K170-S174 PolarHBondContact O-N 2.91Å; K170-S174 PolarHBondContact O-OG 3.09Å; I171-S174 VanDerWaalsContact O-CB 3.26Å; I171-S174 WeakPolarHBondContact O-CB 3.39Å; I171-S174 PolarHBondContact O-N 3.03Å; A172-S174 PolarHBondContact O-N 3.25Å; S174-H345 WeakPolarHBondContact O-CB 3.45Å
175F98.4Very high98.5Very high2 Ų234.9 Ų34.91%0.00917%0.173CC..THydrogen-bonded Turntrans-102.114.2176.5-67.7-94.1000113.4R136 D139 K142 A143 L146 I171 A172 H173 C177 H345 V347R136-F175 PolarHBondContact NH1-O 3.12Å; R136-F175 VanDerWaalsContact NH1-O 3.07Å; D139-F175 HydrophobicContact CB-CB 4.42Å; K142-F175 HydrophobicContact CB-CD1 4.36Å; K142-F175 HydrophobicContact CB-CE1 3.81Å; K142-F175 HydrophobicContact CB-CZ 4.25Å; A143-F175 HydrophobicContact CB-CB 3.79Å; A143-F175 HydrophobicContact CB-CD2 3.85Å; A143-F175 HydrophobicContact CB-CG 3.84Å; L146-F175 HydrophobicContact CD1-CE2 3.64Å; L146-F175 HydrophobicContact CD1-CZ 3.55Å; I171-F175 WeakPolarHBondContact O-CD2 3.21Å; A172-F175 CarbonylContact O-C 3.47Å; A172-F175 PolarHBondContact O-N 2.85Å; H173-F175 PolarHBondContact O-N 2.82Å; F175-C177 PolarHBondContact O-N 3.44Å; F175-C177 PolarHBondContact O-SG 2.98Å; F175-H345 HydrophobicContact CB-CB 4.41Å; F175-H345 HydrophobicContact CD1-CB 3.67Å; F175-H345 HydrophobicContact CE1-CB 4.16Å; F175-H345 WeakPolarHBondContact CE1-O 3.36Å; F175-H345 HydrophobicContact CG-CB 4.16Å; F175-V347 HydrophobicContact CE2-CG2 3.97Å
176K98.4Very high98.5Very high141 Ų14137.1 Ų37.161%0.61318%0.183SC*.THydrogen-bonded Turntrans55.435.9-173.8-48.1-57.8-179.3-174.60112.2R136 A172 H173R136-K176 PolarHBondContact NH2-O 3.46Å; A172-K176 PolarHBondContact O-N 2.96Å; H173-K176 PolarHBondContact O-N 3.34Å
177C98.8Very high98.5Very high0 Ų032.6 Ų32.60%016%0.162CC..  trans-119.8164.1179.8-650000110.1A143 A172 H173 F175 V228 S229A143-C177 HydrophobicContact CB-CB 4.33Å; A172-C177 CarbonylContact C-O 3.58Å; A172-C177 HydrophobicContact CB-CB 4.47Å; A172-C177 WeakPolarHBondContact CB-O 3.37Å; A172-C177 PolarHBondContact O-N 2.97Å; A172-C177 VanDerWaalsContact O-O 3.11Å; H173-C177 PolarHBondContact CD2-O 3.46Å; H173-C177 PolarHBondContact N-O 3.4Å; F175-C177 PolarHBondContact O-N 3.44Å; F175-C177 PolarHBondContact O-SG 2.98Å; C177-V228 HydrophobicContact CB-CG1 3.59Å; C177-S229 CarbonylContact C-O 3.57Å; C177-S229 VanDerWaalsContact CA-O 3.3Å; C177-S229 WeakPolarHBondContact CA-O 3.3Å; C177-S229 VanDerWaalsContact CB-O 3.24Å; C177-S229 WeakPolarHBondContact CB-O 3.37Å
178S98.7Very high98.5Very high22 Ų2232.5 Ų32.515%0.15416%0.16CC..EExtended strand (participates in β ladder)trans-130.7128.3-177.2-49.20000109.8S229 G231S178-S229 PolarHBondContact N-O 3.19Å; S178-S229 PolarHBondContact O-N 2.93Å; S178-G231 PolarHBondContact OG-O 2.84Å
179P98.8Very high98.5Very high1 Ų135.5 Ų35.51%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-62.5145.5169.4-17.332.6000110.1W168 A172 E181 Q201 N202 L227W168-P179 HydrophobicContact CB-CG 4.49Å; A172-P179 HydrophobicContact CB-CG 3.79Å; P179-E181 PolarHBondContact O-N 3.16Å; P179-Q201 HydrophobicContact CB-CB 4.29Å; P179-N202 HydrophobicContact CB-CB 4.06Å; P179-N202 HydrophobicContact CG-CB 4.5Å; P179-N202 WeakPolarHBondContact O-CB 3.41Å; P179-N202 PolarHBondContact O-ND2 3.38Å; P179-L227 WeakPolarHBondContact CA-O 3.46Å
180I98.7Very high98.5Very high0 Ų036.2 Ų36.20%018%0.176CC..PPolyproline II helixtrans-65.2126.9178.7-56.6-64.7000109.6V84 G182 M183 Q201 L227 G233 A235 E308 V314V84-I180 HydrophobicContact CG1-CG1 4.26Å; V84-I180 HydrophobicContact CG2-CD1 4.42Å; I180-G182 PolarHBondContact O-N 3.21Å; I180-M183 HydrophobicContact CB-CG 3.73Å; I180-M183 HydrophobicContact CG2-CE 4.36Å; I180-M183 HydrophobicContact CG2-CG 3.52Å; I180-M183 HydrophobicContact CG2-SD 4.22Å; I180-Q201 VanDerWaalsContact O-CB 3.29Å; I180-Q201 WeakPolarHBondContact O-CB 3.32Å; I180-L227 HydrophobicContact CB-CB 4.2Å; I180-L227 HydrophobicContact CG1-CB 3.81Å; I180-L227 PolarHBondContact N-O 3.38Å; I180-G233 CarbonylContact C-O 3.54Å; I180-G233 WeakPolarHBondContact CA-O 3.46Å; I180-A235 HydrophobicContact CG2-CB 3.61Å; I180-E308 HydrophobicContact CD1-CG 4.16Å; I180-V314 HydrophobicContact CD1-CG1 4.42Å; I180-V314 HydrophobicContact CD1-CG2 4.42Å; I180-V314 HydrophobicContact CG1-CG1 4.42Å
181E98.4Very high98.4Very high62 Ų6234.3 Ų34.329%0.2917%0.169SC..THydrogen-bonded Turntrans-60.3129.6-178.6-177.2-178.2119.200111.8P179 M183 N202 T204 G233P179-E181 PolarHBondContact O-N 3.16Å; E181-M183 VanDerWaalsContact C-N 3.29Å; E181-M183 PolarHBondContact O-N 3.07Å; E181-N202 WeakPolarHBondContact CA-O 3.36Å; E181-N202 WeakPolarHBondContact CG-O 3.25Å; E181-T204 HydrophobicContact CG-CG2 3.86Å; E181-T204 WeakPolarHBondContact OE1-CG2 3.45Å; E181-G233 WeakPolarHBondContact CB-O 3.19Å; E181-G233 PolarHBondContact N-O 3.1Å
182G97.5Very high98.4Very high15 Ų1536.8 Ų36.816%0.15518%0.184CC..THydrogen-bonded Turntrans77.31.4170.100000116.1I180 Q201I180-G182 PolarHBondContact O-N 3.21Å; G182-Q201 PolarHBondContact N-O 3.13Å
183M98Very high98.4Very high47 Ų4737.5 Ų37.523%0.23219%0.188CC..  trans-70.4141.6177.2-62.3-62.29700111.2I180 E181 Q201 L227 L306I180-M183 HydrophobicContact CB-CG 3.73Å; I180-M183 HydrophobicContact CG2-CE 4.36Å; I180-M183 HydrophobicContact CG2-CG 3.52Å; I180-M183 HydrophobicContact CG2-SD 4.22Å; E181-M183 VanDerWaalsContact C-N 3.29Å; E181-M183 PolarHBondContact O-N 3.07Å; M183-Q201 HydrophobicContact CB-CB 4.34Å; M183-Q201 PolarHBondContact O-N 3.4Å; M183-L227 HydrophobicContact CB-CD1 4.28Å; M183-L227 HydrophobicContact CG-CD1 3.92Å; M183-L227 HydrophobicContact SD-CD1 4.28Å; M183-L306 HydrophobicContact CE-CD1 4.24Å
184L98.4Very high98.3Very high62 Ų6235.1 Ų35.133%0.32518%0.178SC..EExtended strand (participates in β ladder)trans-112.5135.5-173.9-59.9178.8000111.8H186 T198 I199 I200L184-H186 WeakPolarHBondContact CB-NE2 3.22Å; L184-T198 HydrophobicContact CB-CG2 4.45Å; L184-T198 HydrophobicContact CD1-CG2 4.42Å; L184-I199 CarbonylContact C-O 3.57Å; L184-I199 WeakPolarHBondContact CA-O 3.43Å; L184-I200 HydrophobicContact CD2-CB 3.8Å; L184-I200 HydrophobicContact CD2-CD1 4.01Å; L184-I200 HydrophobicContact CD2-CG1 3.79Å
185S98.8Very high98.2Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-94.9131.3157.9-60.30000108.9T198 I199 A223 D225S185-T198 CarbonylContact O-C 3.55Å; S185-T198 WeakPolarHBondContact O-CA 3.46Å; S185-T198 WeakPolarHBondContact O-CB 3.41Å; S185-I199 PolarHBondContact N-O 3.36Å; S185-I199 PolarHBondContact O-N 2.81Å; S185-A223 WeakPolarHBondContact CA-O 3.41Å; S185-A223 VanDerWaalsContact CB-O 3.3Å; S185-A223 WeakPolarHBondContact CB-O 3.32Å; S185-D225 PolarHBondContact OG-N 3.13Å; S185-D225 PolarHBondContact OG-O 3.38Å
186H98.7Very high98.1Very high52 Ų5242.4 Ų42.424%0.24121%0.21CC..EExtended strand (participates in β ladder)trans-106.2145.7-170.8-69.4-88.7000113.3L184 I193 D194 T198 Y222 A223L184-H186 WeakPolarHBondContact CB-NE2 3.22Å; H186-I193 WeakPolarHBondContact CB-O 3.43Å; H186-D194 WeakPolarHBondContact ND1-CA 3.35Å; H186-T198 VanDerWaalsContact ND1-CG2 3.32Å; H186-T198 WeakPolarHBondContact ND1-CG2 3.26Å; H186-Y222 WeakPolarHBondContact O-CA 2.82Å; H186-A223 PolarHBondContact N-O 2.92Å; H186-A223 PolarHBondContact O-N 2.84Å
187Q98.8Very high98.1Very high17 Ų1737.9 Ų37.98%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-63140157.6-175.5177.828.800109.2G195 K197 E220 V221 Y222Q187-G195 WeakPolarHBondContact O-CA 3.27Å; Q187-G195 PolarHBondContact O-N 3.17Å; Q187-K197 HydrophobicContact CB-CB 4.19Å; Q187-K197 VanDerWaalsContact CB-O 3.28Å; Q187-K197 WeakPolarHBondContact CB-O 3.39Å; Q187-K197 PolarHBondContact N-O 3.4Å; Q187-E220 PolarHBondContact NE2-OE1 3.02Å; Q187-E220 VanDerWaalsContact NE2-OE1 3.09Å; Q187-V221 CarbonylContact C-O 3.52Å; Q187-V221 WeakPolarHBondContact CA-O 3.33Å; Q187-Y222 HydrophobicContact CB-CD1 4.15Å; Q187-Y222 HydrophobicContact CB-CE1 3.7Å; Q187-Y222 HydrophobicContact CG-CE1 4.38Å
188L98.8Very high98.1Very high4 Ų438.5 Ų38.52%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-109.2137.2175.1-57.7-179.1000109.5I116 I193 V221 A223 T320I116-L188 HydrophobicContact CB-CD1 4.16Å; I116-L188 HydrophobicContact CG2-CD1 4.21Å; I116-L188 HydrophobicContact CG2-CD2 4.46Å; I116-L188 WeakPolarHBondContact O-CD1 3.29Å; L188-I193 HydrophobicContact CD2-CG1 4.15Å; L188-I193 VanDerWaalsContact CD2-O 3.24Å; L188-I193 WeakPolarHBondContact CD2-O 3.29Å; L188-V221 HydrophobicContact CB-CB 4.24Å; L188-V221 HydrophobicContact CB-CG1 4.12Å; L188-V221 HydrophobicContact CD1-CG1 4.16Å; L188-V221 PolarHBondContact N-O 2.9Å; L188-A223 HydrophobicContact CD1-CB 3.98Å; L188-A223 HydrophobicContact CD2-CB 4.07Å; L188-A223 HydrophobicContact CG-CB 4.11Å; L188-T320 HydrophobicContact CD1-CG2 3.9Å
189K98.4Very high98.1Very high65 Ų6537.5 Ų37.528%0.28319%0.187SC..EExtended strand (participates in β ladder)trans-129.7175.7170-55.3175.4155.2-138.80109.4E7 H191 V192E7-K189 WeakPolarHBondContact OE1-CB 3.15Å; E7-K189 WeakPolarHBondContact OE1-CD 3.39Å; E7-K189 VanDerWaalsContact OE1-CE 3.26Å; E7-K189 WeakPolarHBondContact OE1-CE 3.39Å; E7-K189 WeakPolarHBondContact OE1-CG 3.44Å; E7-K189 IonicContact OE1-NZ 3.9Å; E7-K189 PolarHBondContact OE1-NZ 3.21Å; E7-K189 VanDerWaalsContact OE1-NZ 3.15Å; E7-K189 IonicContact OE2-NZ 3.15Å; E7-K189 PolarHBondContact OE2-NZ 3.48Å; K189-H191 PolarHBondContact O-N 2.88Å; K189-V192 HydrophobicContact CB-CB 4.08Å; K189-V192 HydrophobicContact CB-CG2 4.45Å; K189-V192 PolarHBondContact N-O 3.34Å; K189-V192 PolarHBondContact O-N 3.12Å
190Q98.1Very high98.1Very high41 Ų4138 Ų3819%0.19219%0.19CC..THydrogen-bonded Turntrans-60122.8174-159.9-173.5200109.6D113 F115 V192D113-Q190 WeakPolarHBondContact O-CG 3.1Å; D113-Q190 PolarHBondContact O-NE2 2.48Å; F115-Q190 HydrophobicContact CD1-CB 4.21Å; F115-Q190 HydrophobicContact CD1-CG 4.2Å; F115-Q190 HydrophobicContact CE1-CB 3.7Å; F115-Q190 HydrophobicContact CE1-CG 3.74Å; F115-Q190 HydrophobicContact CE2-CG 4.1Å; F115-Q190 HydrophobicContact CZ-CB 4.1Å; F115-Q190 HydrophobicContact CZ-CG 3.68Å; Q190-V192 PolarHBondContact O-N 3.17Å; Q190-V192 VanDerWaalsContact O-N 3.13Å
191H97Very high98.1Very high60 Ų6038 Ų3828%0.27819%0.19SC..THydrogen-bonded Turntrans64.84.6-177.3-52.2-70.7000116.4G114 K189G114-H191 VanDerWaalsContact CA-CE1 3.47Å; G114-H191 WeakPolarHBondContact CA-CE1 3.26Å; G114-H191 WeakPolarHBondContact CA-ND1 3.33Å; G114-H191 PolarHBondContact O-N 3.05Å; K189-H191 PolarHBondContact O-N 2.88Å
192V98.1Very high98Very high52 Ų5236.8 Ų36.832%0.31519%0.186SC..EExtended strand (participates in β ladder)trans-121.3112.1-179.2-175.10000109.8K189 Q190K189-V192 HydrophobicContact CB-CB 4.08Å; K189-V192 HydrophobicContact CB-CG2 4.45Å; K189-V192 PolarHBondContact N-O 3.34Å; K189-V192 PolarHBondContact O-N 3.12Å; Q190-V192 PolarHBondContact O-N 3.17Å; Q190-V192 VanDerWaalsContact O-N 3.13Å
193I98.1Very high98Very high16 Ų1636.4 Ų36.48%0.08218%0.18CC..EExtended strand (participates in β ladder)trans-86.4-18179.9-163.3163.9000113.5I116 H186 L188 K246 P275I116-I193 HydrophobicContact CD1-CB 3.68Å; I116-I193 HydrophobicContact CD1-CG1 4.04Å; I116-I193 HydrophobicContact CG2-CD1 4.3Å; I116-I193 HydrophobicContact CG2-CG1 4.34Å; H186-I193 WeakPolarHBondContact CB-O 3.43Å; L188-I193 HydrophobicContact CD2-CG1 4.15Å; L188-I193 VanDerWaalsContact CD2-O 3.24Å; L188-I193 WeakPolarHBondContact CD2-O 3.29Å; I193-K246 HydrophobicContact CG2-CD 3.97Å; I193-P275 HydrophobicContact CD1-CG 3.98Å; I193-P275 HydrophobicContact CG2-CG 4.23Å
194D96.7Very high98Very high49 Ų4936.3 Ų36.326%0.26218%0.182SC..EExtended strand (participates in β ladder)trans-132.356.7-16956.5-19.3000110.8H186 K246H186-D194 WeakPolarHBondContact ND1-CA 3.35Å; D194-K246 IonicContact OD1-NZ 2.84Å; D194-K246 PolarHBondContact OD1-NZ 3.07Å; D194-K246 IonicContact OD2-NZ 2.62Å; D194-K246 PolarHBondContact OD2-NZ 3.46Å
195G96.9Very high97.9Very high5 Ų539.4 Ų39.45%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-58.3157.1174.100000112.5Q187 K197Q187-G195 WeakPolarHBondContact O-CA 3.27Å; Q187-G195 PolarHBondContact O-N 3.17Å; G195-K197 PolarHBondContact O-N 2.94Å
196E95.8Very high97.8Very high180 Ų18044.6 Ų44.684%0.84122%0.223SC*.EExtended strand (participates in β ladder)trans-64.5-41.4-170.2-62.2175.5175.300112.8T198E196-T198 PolarHBondContact O-N 3.23Å; E196-T198 PolarHBondContact O-OG1 3.39Å
197K98.4Very high97.6Very high45 Ų4545.1 Ų45.120%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-69.2117.5176.3-67-173.7179.4-176.20109.9Q187 G195 A214 E215 E217 E220 Y222Q187-K197 HydrophobicContact CB-CB 4.19Å; Q187-K197 VanDerWaalsContact CB-O 3.28Å; Q187-K197 WeakPolarHBondContact CB-O 3.39Å; Q187-K197 PolarHBondContact N-O 3.4Å; G195-K197 PolarHBondContact O-N 2.94Å; K197-A214 HydrophobicContact CB-CB 4.22Å; K197-A214 HydrophobicContact CD-CB 4.21Å; K197-A214 HydrophobicContact CG-CB 3.98Å; K197-E215 PolarHBondContact NZ-O 2.73Å; K197-E215 VanDerWaalsContact NZ-O 3.16Å; K197-E217 IonicContact NZ-OE1 3.3Å; K197-E217 PolarHBondContact NZ-OE1 3.03Å; K197-E220 VanDerWaalsContact CD-OE1 3.3Å; K197-E220 WeakPolarHBondContact CD-OE1 3.44Å; K197-E220 WeakPolarHBondContact CE-OE1 3.48Å; K197-E220 IonicContact NZ-OE1 2.7Å; K197-E220 PolarHBondContact NZ-OE1 3.41Å; K197-E220 IonicContact NZ-OE2 2.84Å; K197-Y222 HydrophobicContact CB-CE1 4.36Å; K197-Y222 WeakPolarHBondContact CB-OH 3.23Å
198T98.7Very high97.4Very high14 Ų1450 Ų509%0.08624%0.244CC..EExtended strand (participates in β ladder)trans-133.7158.6-174.348.90000112.5N161 L184 S185 H186 E196 H211N161-T198 WeakPolarHBondContact CB-O 3.36Å; N161-T198 PolarHBondContact ND2-O 3.01Å; L184-T198 HydrophobicContact CB-CG2 4.45Å; L184-T198 HydrophobicContact CD1-CG2 4.42Å; S185-T198 CarbonylContact O-C 3.55Å; S185-T198 WeakPolarHBondContact O-CA 3.46Å; S185-T198 WeakPolarHBondContact O-CB 3.41Å; H186-T198 VanDerWaalsContact ND1-CG2 3.32Å; H186-T198 WeakPolarHBondContact ND1-CG2 3.26Å; E196-T198 PolarHBondContact O-N 3.23Å; E196-T198 PolarHBondContact O-OG1 3.39Å; T198-H211 PolarHBondContact O-CE1 3.3Å; T198-H211 VanDerWaalsContact O-CE1 3.29Å; T198-H211 PolarHBondContact O-NE2 2.92Å; T198-H211 PolarHBondContact OG1-NE2 2.86Å
199I98.8Very high97.2Very high0 Ų057.4 Ų57.40%028%0.276CS..EExtended strand (participates in β ladder)trans-110.2122168.8-45.3172.6000107.2V155 N161 V164 W168 L184 S185 F216V155-I199 HydrophobicContact CG2-CD1 3.61Å; N161-I199 HydrophobicContact CB-CG1 4.23Å; V164-I199 HydrophobicContact CB-CG2 3.85Å; V164-I199 HydrophobicContact CG1-CD1 4.34Å; V164-I199 HydrophobicContact CG1-CG2 3.93Å; V164-I199 HydrophobicContact CG2-CD1 4.41Å; W168-I199 HydrophobicContact CE3-CG2 4.44Å; W168-I199 HydrophobicContact CH2-CB 4.46Å; W168-I199 HydrophobicContact CH2-CG2 3.95Å; W168-I199 HydrophobicContact CZ3-CB 4.42Å; W168-I199 HydrophobicContact CZ3-CG2 3.64Å; L184-I199 CarbonylContact C-O 3.57Å; L184-I199 WeakPolarHBondContact CA-O 3.43Å; S185-I199 PolarHBondContact N-O 3.36Å; S185-I199 PolarHBondContact O-N 2.81Å; I199-F216 HydrophobicContact CD1-CE1 4.05Å; I199-F216 HydrophobicContact CD1-CZ 3.69Å; I199-F216 HydrophobicContact CG1-CE1 4.05Å; I199-F216 HydrophobicContact CG1-CZ 3.83Å
200I98.6Very high97.1Very high12 Ų1259.7 Ų59.76%0.06229%0.291CS..EExtended strand (participates in β ladder)trans-96.7135.8-179.8-167.8160.5000111.4T165 L184 P203 Q207 H211T165-I200 WeakPolarHBondContact CB-O 3.32Å; T165-I200 WeakPolarHBondContact CG2-O 3.46Å; T165-I200 PolarHBondContact OG1-O 2.89Å; L184-I200 HydrophobicContact CD2-CB 3.8Å; L184-I200 HydrophobicContact CD2-CD1 4.01Å; L184-I200 HydrophobicContact CD2-CG1 3.79Å; I200-P203 HydrophobicContact CD1-CB 3.79Å; I200-P203 HydrophobicContact CG1-CB 3.96Å; I200-P203 HydrophobicContact CG2-CB 4.04Å; I200-P203 HydrophobicContact CG2-CG 3.81Å; I200-Q207 HydrophobicContact CD1-CB 4.05Å; I200-H211 HydrophobicContact CD1-CB 4.24Å; I200-H211 HydrophobicContact CG2-CB 4.44Å; I200-H211 VanDerWaalsContact CG2-ND1 3.3Å; I200-H211 WeakPolarHBondContact CG2-ND1 3.46Å
201Q98.3Very high97.1Very high1 Ų159.5 Ų59.51%0.00529%0.29CS..SBendtrans-90.1131.5174.3-73.1178.894.400110.5W168 P179 I180 G182 M183 P203 D225 L227W168-Q201 HydrophobicContact CE3-CG 3.49Å; W168-Q201 VanDerWaalsContact CE3-CG 3.49Å; W168-Q201 HydrophobicContact CH2-CG 4.33Å; W168-Q201 HydrophobicContact CZ3-CG 3.34Å; P179-Q201 HydrophobicContact CB-CB 4.29Å; I180-Q201 VanDerWaalsContact O-CB 3.29Å; I180-Q201 WeakPolarHBondContact O-CB 3.32Å; G182-Q201 PolarHBondContact N-O 3.13Å; M183-Q201 HydrophobicContact CB-CB 4.34Å; M183-Q201 PolarHBondContact O-N 3.4Å; Q201-P203 VanDerWaalsContact O-N 3.12Å; Q201-D225 PolarHBondContact NE2-O 3.45Å; Q201-L227 PolarHBondContact OE1-O 2.77Å
202N97.7Very high97.1Very high36 Ų3663.9 Ų63.919%0.19331%0.311CS..SBendtrans38.956.6171.3-172.427.3000114.2P179 E181P179-N202 HydrophobicContact CB-CB 4.06Å; P179-N202 HydrophobicContact CG-CB 4.5Å; P179-N202 WeakPolarHBondContact O-CB 3.41Å; P179-N202 PolarHBondContact O-ND2 3.38Å; E181-N202 WeakPolarHBondContact CA-O 3.36Å; E181-N202 WeakPolarHBondContact CG-O 3.25Å
203P97.8Very high97Very high7 Ų768.6 Ų68.65%0.04533%0.327CS..  trans-70.3142.6-173.728.8-35.2000111.6T165 I200 Q201 Q207 R208T165-P203 HydrophobicContact CG2-CG 4.35Å; I200-P203 HydrophobicContact CD1-CB 3.79Å; I200-P203 HydrophobicContact CG1-CB 3.96Å; I200-P203 HydrophobicContact CG2-CB 4.04Å; I200-P203 HydrophobicContact CG2-CG 3.81Å; Q201-P203 VanDerWaalsContact O-N 3.12Å; P203-Q207 HydrophobicContact CB-CB 3.86Å; P203-R208 HydrophobicContact CB-CB 4.32Å; P203-R208 HydrophobicContact CG-CB 4.24Å; P203-R208 PolarHBondContact O-NH2 3.4Å
204T97.2Very high96.9Very high45 Ų4568.4 Ų68.428%0.27633%0.328SS..  trans-58.416516360.30000111.4E181 Q206 Q207 R208E181-T204 HydrophobicContact CG-CG2 3.86Å; E181-T204 WeakPolarHBondContact OE1-CG2 3.45Å; T204-Q206 PolarHBondContact O-N 3.28Å; T204-Q207 PolarHBondContact O-N 2.69Å; T204-Q207 WeakPolarHBondContact OG1-CB 3.31Å; T204-Q207 VanDerWaalsContact OG1-CG 3.3Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.41Å; T204-Q207 PolarHBondContact OG1-N 2.94Å; T204-Q207 VanDerWaalsContact OG1-N 3.14Å; T204-Q207 PolarHBondContact OG1-OE1 3.21Å; T204-R208 WeakPolarHBondContact O-CB 3.22Å; T204-R208 PolarHBondContact O-N 2.8Å
205D95.8Very high97Very high127 Ų12771 Ų7168%0.67934%0.339SS*.Hα-helixtrans-58.1-34.8176.1-67.8-20.9000112.9K209D205-K209 WeakPolarHBondContact O-CG 3.45Å; D205-K209 PolarHBondContact O-N 2.97Å
206Q96.2Very high97.1Very high108 Ų10870.9 Ų70.951%0.50534%0.337SS..Hα-helixtrans-71.7-51.2176.8-172.956.746.100110.8T204 R208 K209 D210T204-Q206 PolarHBondContact O-N 3.28Å; Q206-R208 PolarHBondContact O-N 2.86Å; Q206-K209 WeakPolarHBondContact O-CB 3.29Å; Q206-K209 PolarHBondContact O-N 3.02Å; Q206-D210 PolarHBondContact NE2-OD1 3.16Å; Q206-D210 PolarHBondContact NE2-OD2 3.43Å; Q206-D210 PolarHBondContact O-N 2.74Å
207Q96.1Very high97.2Very high63 Ų6367.3 Ų67.329%0.29432%0.32SS..Hα-helixtrans-58.2-35.9177.1-73.7164.2-2900112.3I200 P203 T204 K209 D210 H211I200-Q207 HydrophobicContact CD1-CB 4.05Å; P203-Q207 HydrophobicContact CB-CB 3.86Å; T204-Q207 PolarHBondContact O-N 2.69Å; T204-Q207 WeakPolarHBondContact OG1-CB 3.31Å; T204-Q207 VanDerWaalsContact OG1-CG 3.3Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.41Å; T204-Q207 PolarHBondContact OG1-N 2.94Å; T204-Q207 VanDerWaalsContact OG1-N 3.14Å; T204-Q207 PolarHBondContact OG1-OE1 3.21Å; Q207-K209 VanDerWaalsContact C-N 3.28Å; Q207-K209 PolarHBondContact O-N 3.21Å; Q207-D210 PolarHBondContact O-N 2.84Å; Q207-H211 WeakPolarHBondContact O-CA 3.35Å; Q207-H211 WeakPolarHBondContact O-CB 2.8Å; Q207-H211 PolarHBondContact O-N 3.08Å
208R94.4Very high97.2Very high119 Ų11968.3 Ų68.345%0.44933%0.33SS..Hα-helixtrans-65.4-30.5177.2-173-175.6-56.8-80.1-5.9112.9P203 T204 Q206P203-R208 HydrophobicContact CB-CB 4.32Å; P203-R208 HydrophobicContact CG-CB 4.24Å; P203-R208 PolarHBondContact O-NH2 3.4Å; T204-R208 WeakPolarHBondContact O-CB 3.22Å; T204-R208 PolarHBondContact O-N 2.8Å; Q206-R208 PolarHBondContact O-N 2.86Å
209K95.1Very high97.1Very high160 Ų16071.2 Ų71.270%0.69634%0.342SS*.Hα-helixtrans-77.9-38.4176.1-70.3170.8-175.6175.40111.5D205 Q206 Q207D205-K209 WeakPolarHBondContact O-CG 3.45Å; D205-K209 PolarHBondContact O-N 2.97Å; Q206-K209 WeakPolarHBondContact O-CB 3.29Å; Q206-K209 PolarHBondContact O-N 3.02Å; Q207-K209 VanDerWaalsContact C-N 3.28Å; Q207-K209 PolarHBondContact O-N 3.21Å
210D95.6Very high97.1Very high114 Ų11472 Ų7261%0.6135%0.346SS*.Hα-helixtrans-82.7-24.9-176.4-59-22.5000112.4Q206 Q207Q206-D210 PolarHBondContact NE2-OD1 3.16Å; Q206-D210 PolarHBondContact NE2-OD2 3.43Å; Q206-D210 PolarHBondContact O-N 2.74Å; Q207-D210 PolarHBondContact O-N 2.84Å
211H97.6Very high97.1Very high37 Ų3771.7 Ų71.717%0.17134%0.344CS..SBendtrans-79.1124179.5-174.7-109.7000111.3N161 T198 I200 Q207N161-H211 PolarHBondContact ND2-CE1 3.26Å; N161-H211 VanDerWaalsContact ND2-CE1 3.32Å; T198-H211 PolarHBondContact O-CE1 3.3Å; T198-H211 VanDerWaalsContact O-CE1 3.29Å; T198-H211 PolarHBondContact O-NE2 2.92Å; T198-H211 PolarHBondContact OG1-NE2 2.86Å; I200-H211 HydrophobicContact CD1-CB 4.24Å; I200-H211 HydrophobicContact CG2-CB 4.44Å; I200-H211 VanDerWaalsContact CG2-ND1 3.3Å; I200-H211 WeakPolarHBondContact CG2-ND1 3.46Å; Q207-H211 WeakPolarHBondContact O-CA 3.35Å; Q207-H211 WeakPolarHBondContact O-CB 2.8Å; Q207-H211 PolarHBondContact O-N 3.08Å
212E96.6Very high97.2Very high151 Ų15171.7 Ų71.771%0.70634%0.344SS*.PPolyproline II helixtrans-72.3132.9-178.1-171.3172.9-165.400111.9N161 A214N161-E212 PolarHBondContact ND2-O 2.94Å; E212-A214 PolarHBondContact O-N 2.96Å
213K96.4Very high97.2Very high151 Ų15170.4 Ų70.466%0.65734%0.338SS*.PPolyproline II helixtrans-74.2122170.2-65.1-175.8-177.5178.60108.7T162T162-K213 HydrophobicContact CG2-CD 4.23Å; T162-K213 HydrophobicContact CG2-CG 3.99Å
214A97Very high97.3Very high12 Ų1270 Ų7010%0.09934%0.336CS..  trans-120.6140.3179.500000110.8Q160 N161 K197 E212Q160-A214 WeakPolarHBondContact CA-O 3.47Å; N161-A214 PolarHBondContact N-O 3.43Å; N161-A214 PolarHBondContact ND2-N 3.26Å; N161-A214 PolarHBondContact OD1-N 3.12Å; K197-A214 HydrophobicContact CB-CB 4.22Å; K197-A214 HydrophobicContact CD-CB 4.21Å; K197-A214 HydrophobicContact CG-CB 3.98Å; E212-A214 PolarHBondContact O-N 2.96Å
215E98.4Very high97.3Very high105 Ų10568.8 Ų68.849%0.49133%0.328SS..BIsolated β-bridgetrans-90.2136.5165.7-171.1175.1153.200109.4G158 N159 K197G158-E215 WeakPolarHBondContact CA-OE1 3.09Å; N159-E215 WeakPolarHBondContact O-CA 3.24Å; K197-E215 PolarHBondContact NZ-O 2.73Å; K197-E215 VanDerWaalsContact NZ-O 3.16Å
216F98.5Very high97.5Very high2 Ų262.8 Ų62.81%0.00930%0.296CS..  trans-76.2140.3173.8-58.3-60.1000110.3V155 K156 P157 G158 N159 N161 V164 I199 Y222 L323V155-F216 HydrophobicContact CB-CE2 4.42Å; V155-F216 HydrophobicContact CB-CZ 4.46Å; V155-F216 HydrophobicContact CG1-CD1 4.15Å; V155-F216 HydrophobicContact CG1-CD2 4.47Å; V155-F216 HydrophobicContact CG1-CE1 3.99Å; V155-F216 HydrophobicContact CG1-CE2 4.32Å; V155-F216 HydrophobicContact CG1-CG 4.39Å; V155-F216 HydrophobicContact CG1-CZ 4.08Å; V155-F216 HydrophobicContact CG2-CE2 4.31Å; V155-F216 HydrophobicContact CG2-CZ 4.1Å; K156-F216 WeakPolarHBondContact O-CB 3.31Å; P157-F216 CarbonylContact C-O 3.56Å; P157-F216 WeakPolarHBondContact CA-O 3.16Å; G158-F216 PolarHBondContact N-O 3.29Å; N159-F216 HydrophobicContact CB-CD2 3.99Å; N159-F216 HydrophobicContact CB-CE2 4.48Å; N159-F216 WeakPolarHBondContact O-CD2 3.49Å; N159-F216 PolarHBondContact O-N 2.85Å; N161-F216 HydrophobicContact CB-CZ 4.12Å; V164-F216 HydrophobicContact CG2-CE2 4.03Å; V164-F216 HydrophobicContact CG2-CZ 4.21Å; I199-F216 HydrophobicContact CD1-CE1 4.05Å; I199-F216 HydrophobicContact CD1-CZ 3.69Å; I199-F216 HydrophobicContact CG1-CE1 4.05Å; I199-F216 HydrophobicContact CG1-CZ 3.83Å; F216-Y222 HydrophobicContact CD1-CD2 4.37Å; F216-Y222 HydrophobicContact CD1-CE1 4.19Å; F216-Y222 AromaticContact CD1-CE2 3.62Å; F216-Y222 HydrophobicContact CD1-CE2 3.62Å; F216-Y222 AromaticContact CD1-CZ 3.53Å; F216-Y222 HydrophobicContact CE1-CD1 4.46Å; F216-Y222 AromaticContact CE1-CE1 3.95Å; F216-Y222 HydrophobicContact CE1-CE1 3.95Å; F216-Y222 HydrophobicContact CE1-CE2 4.14Å; F216-Y222 AromaticContact CE1-CZ 3.79Å; F216-L323 HydrophobicContact CB-CD1 3.88Å; F216-L323 HydrophobicContact CG-CD1 4.47Å
217E98.2Very high97.6Very high104 Ų10457.8 Ų57.849%0.48627%0.272SS..  trans-121.6162.1-175.9-64177.6-138.500112.3K197 E220 L323K197-E217 IonicContact NZ-OE1 3.3Å; K197-E217 PolarHBondContact NZ-OE1 3.03Å; E217-E220 HydrophobicContact CB-CG 4Å; E217-E220 PolarHBondContact N-OE2 2.93Å; E217-L323 WeakPolarHBondContact O-CB 3.32Å; E217-L323 WeakPolarHBondContact O-CD1 2.94Å
218V97.9Very high97.8Very high67 Ų6754.8 Ų54.841%0.40626%0.258SS..THydrogen-bonded Turntrans-69.1141.5174.6-178.80000108.8P157 E220 A325P157-V218 HydrophobicContact CB-CG2 3.75Å; P157-V218 HydrophobicContact CG-CB 4.39Å; P157-V218 HydrophobicContact CG-CG2 3.68Å; V218-E220 VanDerWaalsContact C-N 3.3Å; V218-A325 HydrophobicContact CG1-CB 4.1Å
219H97.9Very high98Very high75 Ų7549.1 Ų49.135%0.34724%0.237SC..THydrogen-bonded Turntrans71.914-177.2-49.6142.5000116.1I10 L323I10-H219 HydrophobicContact CD1-CB 4.5Å; I10-H219 VanDerWaalsContact CG1-CA 3.5Å; I10-H219 HydrophobicContact CG1-CB 3.86Å; I10-H219 VanDerWaalsContact CG1-O 3.23Å; I10-H219 WeakPolarHBondContact CG1-O 3.37Å; H219-L323 PolarHBondContact N-O 2.84Å
220E98.6Very high98.1Very high17 Ų1742 Ų428%0.07921%0.207CC..  trans-85.1157.8166.7-62-175.6141.500112.1Q187 K197 E217 V218 Y222 L323Q187-E220 PolarHBondContact NE2-OE1 3.02Å; Q187-E220 VanDerWaalsContact NE2-OE1 3.09Å; K197-E220 VanDerWaalsContact CD-OE1 3.3Å; K197-E220 WeakPolarHBondContact CD-OE1 3.44Å; K197-E220 WeakPolarHBondContact CE-OE1 3.48Å; K197-E220 IonicContact NZ-OE1 2.7Å; K197-E220 PolarHBondContact NZ-OE1 3.41Å; K197-E220 IonicContact NZ-OE2 2.84Å; E217-E220 HydrophobicContact CB-CG 4Å; E217-E220 PolarHBondContact N-OE2 2.93Å; V218-E220 VanDerWaalsContact C-N 3.3Å; E220-Y222 HydrophobicContact CB-CD2 4.35Å; E220-Y222 HydrophobicContact CB-CE2 3.73Å; E220-Y222 WeakPolarHBondContact OE2-CE2 3.21Å; E220-Y222 PolarHBondContact OE2-OH 3.01Å; E220-Y222 VanDerWaalsContact OE2-OH 3.13Å; E220-L323 HydrophobicContact CB-CD1 4.28Å; E220-L323 WeakPolarHBondContact O-CB 3.3Å; E220-L323 PolarHBondContact O-N 2.9Å
221V98.8Very high98.3Very high5 Ų537.3 Ų37.33%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-126.4139.3175.5-174.50000108.8I10 Y19 Q187 L188 T320 V321 L322I10-V221 HydrophobicContact CD1-CG2 3.96Å; I10-V221 HydrophobicContact CG1-CG2 4.21Å; I10-V221 HydrophobicContact CG2-CG2 3.7Å; Y19-V221 HydrophobicContact CD1-CG1 4.45Å; Y19-V221 HydrophobicContact CE1-CB 4.49Å; Y19-V221 HydrophobicContact CE1-CG1 3.82Å; Y19-V221 HydrophobicContact CE1-CG2 4.4Å; Y19-V221 HydrophobicContact CE2-CG2 3.99Å; Q187-V221 CarbonylContact C-O 3.52Å; Q187-V221 WeakPolarHBondContact CA-O 3.33Å; L188-V221 HydrophobicContact CB-CB 4.24Å; L188-V221 HydrophobicContact CB-CG1 4.12Å; L188-V221 HydrophobicContact CD1-CG1 4.16Å; L188-V221 PolarHBondContact N-O 2.9Å; V221-T320 HydrophobicContact CG1-CG2 3.69Å; V221-V321 WeakPolarHBondContact CA-O 3.42Å; V221-L322 HydrophobicContact CG1-CD1 4.05Å; V221-L322 HydrophobicContact CG1-CG 4.47Å; V221-L322 HydrophobicContact CG2-CG 4.08Å
222Y98.9Very high98.2Very high1 Ų142 Ų420%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-130.7138.4179.2-74.7-90.8000111.6V155 H186 Q187 K197 F216 E220 T320 V321 L323V155-Y222 HydrophobicContact CG1-CD2 4.22Å; V155-Y222 HydrophobicContact CG1-CG 4.39Å; H186-Y222 WeakPolarHBondContact O-CA 2.82Å; Q187-Y222 HydrophobicContact CB-CD1 4.15Å; Q187-Y222 HydrophobicContact CB-CE1 3.7Å; Q187-Y222 HydrophobicContact CG-CE1 4.38Å; K197-Y222 HydrophobicContact CB-CE1 4.36Å; K197-Y222 WeakPolarHBondContact CB-OH 3.23Å; F216-Y222 HydrophobicContact CD1-CD2 4.37Å; F216-Y222 HydrophobicContact CD1-CE1 4.19Å; F216-Y222 AromaticContact CD1-CE2 3.62Å; F216-Y222 HydrophobicContact CD1-CE2 3.62Å; F216-Y222 AromaticContact CD1-CZ 3.53Å; F216-Y222 HydrophobicContact CE1-CD1 4.46Å; F216-Y222 AromaticContact CE1-CE1 3.95Å; F216-Y222 HydrophobicContact CE1-CE1 3.95Å; F216-Y222 HydrophobicContact CE1-CE2 4.14Å; F216-Y222 AromaticContact CE1-CZ 3.79Å; E220-Y222 HydrophobicContact CB-CD2 4.35Å; E220-Y222 HydrophobicContact CB-CE2 3.73Å; E220-Y222 WeakPolarHBondContact OE2-CE2 3.21Å; E220-Y222 PolarHBondContact OE2-OH 3.01Å; E220-Y222 VanDerWaalsContact OE2-OH 3.13Å; Y222-T320 CarbonylContact O-C 3.5Å; Y222-T320 VanDerWaalsContact O-CA 3.31Å; Y222-T320 WeakPolarHBondContact O-CA 3.21Å; Y222-V321 PolarHBondContact N-O 3.21Å; Y222-V321 PolarHBondContact O-N 3.04Å; Y222-L323 HydrophobicContact CD2-CD1 4.04Å; Y222-L323 HydrophobicContact CD2-CG 4.38Å; Y222-L323 HydrophobicContact CE2-CD1 3.95Å
223A98.8Very high98.3Very high8 Ų834.8 Ų34.87%0.06617%0.174CC..EExtended strand (participates in β ladder)trans-91.198.7158.300000108.2N118 S185 H186 L188N118-A223 HydrophobicContact CB-CB 4.4Å; S185-A223 WeakPolarHBondContact CA-O 3.41Å; S185-A223 VanDerWaalsContact CB-O 3.3Å; S185-A223 WeakPolarHBondContact CB-O 3.32Å; H186-A223 PolarHBondContact N-O 2.92Å; H186-A223 PolarHBondContact O-N 2.84Å; L188-A223 HydrophobicContact CD1-CB 3.98Å; L188-A223 HydrophobicContact CD2-CB 4.07Å; L188-A223 HydrophobicContact CG-CB 4.11Å
224V98.8Very high98.3Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-79.4119.7174.8-179.60000107.9A151 V155 W168 V226 K318 F319 V321A151-V224 HydrophobicContact CB-CG1 3.7Å; V155-V224 HydrophobicContact CG2-CG2 4.23Å; W168-V224 HydrophobicContact CH2-CG1 4.18Å; W168-V224 HydrophobicContact CZ2-CG1 3.79Å; V224-V226 HydrophobicContact CG1-CG2 4.29Å; V224-K318 CarbonylContact O-C 3.57Å; V224-K318 WeakPolarHBondContact O-CA 3.15Å; V224-K318 WeakPolarHBondContact O-CG 3.45Å; V224-F319 HydrophobicContact CB-CD1 4.38Å; V224-F319 HydrophobicContact CB-CD2 4.42Å; V224-F319 HydrophobicContact CB-CE1 3.93Å; V224-F319 HydrophobicContact CB-CE2 3.98Å; V224-F319 HydrophobicContact CB-CZ 3.72Å; V224-F319 HydrophobicContact CG1-CE1 3.86Å; V224-F319 HydrophobicContact CG1-CZ 3.82Å; V224-F319 HydrophobicContact CG2-CE2 3.98Å; V224-F319 HydrophobicContact CG2-CZ 4Å; V224-F319 PolarHBondContact N-O 2.64Å; V224-F319 PolarHBondContact O-N 3.13Å; V224-V321 HydrophobicContact CG2-CG1 4.06Å
225D98.8Very high98.3Very high19 Ų1932.8 Ų32.810%0.10217%0.168CC..EExtended strand (participates in β ladder)trans-121.2113.7-179.4-166.78.4000110.1S185 Q201 Q316 K318S185-D225 PolarHBondContact OG-N 3.13Å; S185-D225 PolarHBondContact OG-O 3.38Å; Q201-D225 PolarHBondContact NE2-O 3.45Å; D225-Q316 WeakPolarHBondContact OD1-CG 3.46Å; D225-Q316 PolarHBondContact OD1-NE2 2.93Å; D225-Q316 PolarHBondContact OD2-NE2 2.83Å; D225-K318 HydrophobicContact CB-CB 4.37Å; D225-K318 HydrophobicContact CB-CD 4.39Å; D225-K318 HydrophobicContact CB-CG 4.08Å; D225-K318 VanDerWaalsContact OD1-CE 3.31Å; D225-K318 WeakPolarHBondContact OD1-CE 3.5Å; D225-K318 WeakPolarHBondContact OD2-CE 3.07Å; D225-K318 IonicContact OD2-NZ 3.64Å; D225-K318 PolarHBondContact OD2-NZ 2.7Å
226V98.9Very high98.2Very high0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans-107.7121.2-178.6177.30000108.6A144 C147 A148 W168 V224 V228 Q316 F317A144-V226 HydrophobicContact CB-CG1 4.3Å; C147-V226 HydrophobicContact CB-CG1 3.52Å; C147-V226 HydrophobicContact CB-CG2 4.42Å; A148-V226 HydrophobicContact CB-CG2 4.26Å; W168-V226 HydrophobicContact CH2-CG2 4.31Å; W168-V226 HydrophobicContact CZ2-CG2 3.55Å; V224-V226 HydrophobicContact CG1-CG2 4.29Å; V226-V228 HydrophobicContact CG1-CG2 3.88Å; V226-Q316 WeakPolarHBondContact O-CA 3.38Å; V226-F317 WeakPolarHBondContact CB-O 3.41Å; V226-F317 PolarHBondContact N-O 3.38Å; V226-F317 PolarHBondContact O-N 2.93Å
227L98.9Very high97.9Very high4 Ų440.4 Ų40.42%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-126.5113.2178.3-75.1156.3000108.8V84 P179 I180 M183 Q201 V314 A315 Q316V84-L227 HydrophobicContact CG1-CD1 4.44Å; V84-L227 HydrophobicContact CG1-CD2 4.12Å; P179-L227 WeakPolarHBondContact CA-O 3.46Å; I180-L227 HydrophobicContact CB-CB 4.2Å; I180-L227 HydrophobicContact CG1-CB 3.81Å; I180-L227 PolarHBondContact N-O 3.38Å; M183-L227 HydrophobicContact CB-CD1 4.28Å; M183-L227 HydrophobicContact CG-CD1 3.92Å; M183-L227 HydrophobicContact SD-CD1 4.28Å; Q201-L227 PolarHBondContact OE1-O 2.77Å; L227-V314 HydrophobicContact CD2-CG1 4.21Å; L227-A315 WeakPolarHBondContact CA-O 3.45Å; L227-Q316 HydrophobicContact CD2-CB 3.71Å; L227-Q316 HydrophobicContact CD2-CG 3.57Å; L227-Q316 HydrophobicContact CG-CG 4.03Å
228V98.9Very high97.1Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-122.7133.7-177.5-174.90000109.9V140 A143 A144 A172 C177 V226 V314 A315V140-V228 HydrophobicContact CG2-CB 4.21Å; V140-V228 HydrophobicContact CG2-CG1 4.03Å; V140-V228 WeakPolarHBondContact CG2-O 3.35Å; A143-V228 HydrophobicContact CB-CG1 4.21Å; A144-V228 HydrophobicContact CB-CB 4.01Å; A144-V228 HydrophobicContact CB-CG2 3.87Å; A172-V228 HydrophobicContact CB-CG1 4.06Å; C177-V228 HydrophobicContact CB-CG1 3.59Å; V226-V228 HydrophobicContact CG1-CG2 3.88Å; V228-V314 CarbonylContact O-C 3.54Å; V228-V314 VanDerWaalsContact O-CA 3.29Å; V228-V314 WeakPolarHBondContact O-CA 3.2Å; V228-A315 PolarHBondContact N-O 2.88Å; V228-A315 PolarHBondContact O-N 2.82Å
229S98.9Very high96.7Very high0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-105.7146.2179.4178.70000111.3C177 S178 G231 E308 F313C177-S229 CarbonylContact C-O 3.57Å; C177-S229 VanDerWaalsContact CA-O 3.3Å; C177-S229 WeakPolarHBondContact CA-O 3.3Å; C177-S229 VanDerWaalsContact CB-O 3.24Å; C177-S229 WeakPolarHBondContact CB-O 3.37Å; S178-S229 PolarHBondContact N-O 3.19Å; S178-S229 PolarHBondContact O-N 2.93Å; S229-G231 PolarHBondContact OG-N 2.8Å; S229-E308 VanDerWaalsContact OG-CD 3.23Å; S229-E308 WeakPolarHBondContact OG-CG 3.32Å; S229-E308 PolarHBondContact OG-OE1 3.29Å; S229-F313 WeakPolarHBondContact CA-O 3.35Å
230T98.8Very high96.5Very high10 Ų1037.9 Ų37.96%0.06121%0.209CC..SBendtrans-72.4-15.8164.8520000113.2R136 V140 E312 F313R136-T230 HydrophobicContact CB-CG2 4.03Å; R136-T230 PolarHBondContact NH2-O 2.93Å; R136-T230 WeakPolarHBondContact O-CG2 3.48Å; V140-T230 HydrophobicContact CB-CG2 3.53Å; V140-T230 HydrophobicContact CG1-CG2 3.86Å; V140-T230 HydrophobicContact CG2-CG2 3.98Å; T230-E312 VanDerWaalsContact CB-OE2 3.24Å; T230-E312 WeakPolarHBondContact CB-OE2 3.4Å; T230-E312 PolarHBondContact OG1-OE2 3.31Å; T230-F313 HydrophobicContact CG2-CB 4.01Å; T230-F313 HydrophobicContact CG2-CD2 4.35Å; T230-F313 PolarHBondContact N-O 2.94Å; T230-F313 PolarHBondContact OG1-N 3.32Å; T230-F313 PolarHBondContact OG1-O 3.16Å
231G97.9Very high96.3Very high16 Ų1641.6 Ų41.617%0.16522%0.222CC..SBendtrans-99.5-143.2-177.300000113.7S178 S229 G233 E312S178-G231 PolarHBondContact OG-O 2.84Å; S229-G231 PolarHBondContact OG-N 2.8Å; G231-G233 VanDerWaalsContact C-N 3.3Å; G231-G233 PolarHBondContact O-N 3.07Å; G231-E312 WeakPolarHBondContact CA-OE2 3.14Å; G231-E312 PolarHBondContact N-OE2 3.41Å; G231-E312 VanDerWaalsContact N-OE2 3.17Å
232E97.2Very high96.3Very high134 Ų13442.2 Ų42.263%0.62623%0.226SC*.  trans-75.5-16-173.7-66.9-176.1-16600113.8K234E232-K234 VanDerWaalsContact C-N 3.35Å; E232-K234 HydrophobicContact CB-CG 4.43Å
233G97.2Very high96.3Very high0 Ų042.3 Ų42.30%023%0.227CC..SBendtrans79.417.9-174.700000113.2I180 E181 G231 E308I180-G233 CarbonylContact C-O 3.54Å; I180-G233 WeakPolarHBondContact CA-O 3.46Å; E181-G233 WeakPolarHBondContact CB-O 3.19Å; E181-G233 PolarHBondContact N-O 3.1Å; G231-G233 VanDerWaalsContact C-N 3.3Å; G231-G233 PolarHBondContact O-N 3.07Å; G233-E308 VanDerWaalsContact CA-OE1 3.3Å; G233-E308 WeakPolarHBondContact CA-OE1 3.33Å; G233-E308 PolarHBondContact N-OE1 3.15Å
234K97.3Very high96.3Very high95 Ų9541.9 Ų41.941%0.41322%0.224SC..  trans-110.682.8-174.7-70-177.6178.7173.80111E232 E308E232-K234 VanDerWaalsContact C-N 3.35Å; E232-K234 HydrophobicContact CB-CG 4.43Å; K234-E308 PolarHBondContact N-OE1 3.3Å
235A96.1Very high96.3Very high27 Ų2743.1 Ų43.122%0.22323%0.228CC..  trans-65.8137.2178.500000111.4V84 I180 L306V84-A235 HydrophobicContact CG2-CB 3.86Å; I180-A235 HydrophobicContact CG2-CB 3.61Å; A235-L306 HydrophobicContact CB-CB 3.98Å; A235-L306 HydrophobicContact CB-CD1 4.06Å
236R96.1Very high96.2Very high176 Ų17642.9 Ų42.966%0.66423%0.226SC*.EExtended strand (participates in β ladder)trans-127.5151.5179.7-60.3-177.8-173.7-130.22110.6S238 L306 H307R236-S238 PolarHBondContact O-N 3.42Å; R236-L306 CarbonylContact O-C 3.53Å; R236-L306 VanDerWaalsContact O-CA 3.31Å; R236-L306 WeakPolarHBondContact O-CA 3.47Å; R236-H307 PolarHBondContact N-O 3.19Å; R236-H307 PolarHBondContact O-N 3.25Å
237D92.6Very high96.2Very high90 Ų9044.8 Ų44.848%0.48123%0.233SC..EExtended strand (participates in β ladder)trans-61.3133.9169.3-162.1-49.1000109.4G239 L306D237-G239 PolarHBondContact OD1-N 2.8Å; D237-L306 HydrophobicContact CB-CD2 4.47Å
238S82.6Confident96.2Very high48 Ų4846.3 Ų46.334%0.33624%0.242SC..  trans-89.1-6.7-177.453.40000114R236 L240 V305 H307R236-S238 PolarHBondContact O-N 3.42Å; S238-L240 PolarHBondContact O-N 2.68Å; S238-L240 WeakPolarHBondContact OG-CB 3.39Å; S238-L240 WeakPolarHBondContact OG-CG 3.3Å; S238-L240 PolarHBondContact OG-N 3.11Å; S238-V305 PolarHBondContact N-O 2.74Å; S238-V305 PolarHBondContact OG-O 3.1Å; S238-H307 WeakPolarHBondContact CB-ND1 3.43Å; S238-H307 PolarHBondContact OG-CE1 3.07Å; S238-H307 PolarHBondContact OG-ND1 2.95Å; S238-H307 VanDerWaalsContact OG-ND1 3.16Å
239G89.3Confident96Very high70 Ų7049.4 Ų49.472%0.72226%0.262SS*.SBendtrans74-0.1-168.200000113.4D237D237-G239 PolarHBondContact OD1-N 2.8Å
240L92.8Very high95.8Very high75 Ų7556.2 Ų56.239%0.39330%0.298SS..PPolyproline II helixtrans-65.4148.9168.6-65.4-176.3000109.9F87 S238 T242 V305F87-L240 HydrophobicContact CD2-CD1 4.23Å; F87-L240 HydrophobicContact CE2-CD1 4.05Å; S238-L240 PolarHBondContact O-N 2.68Å; S238-L240 WeakPolarHBondContact OG-CB 3.39Å; S238-L240 WeakPolarHBondContact OG-CG 3.3Å; S238-L240 PolarHBondContact OG-N 3.11Å; L240-T242 PolarHBondContact O-N 3.18Å; L240-V305 HydrophobicContact CB-CB 4.35Å; L240-V305 HydrophobicContact CD1-CG1 4.21Å
241R94.9Very high95.6Very high95 Ų9559.6 Ų59.636%0.35831%0.312SS..PPolyproline II helixtrans-63.7128.6-179.9176.3175.3-68.1150.74.8110.5D93 T243 R288D93-R241 IonicContact OD1-CZ 3.93Å; D93-R241 IonicContact OD1-NH1 2.64Å; D93-R241 PolarHBondContact OD1-NH1 3.38Å; R241-T243 HydrophobicContact CG-CG2 4.19Å; R241-T243 PolarHBondContact O-N 3.47Å; R241-R288 VanDerWaalsContact NH1-CZ 3.32Å; R241-R288 VanDerWaalsContact NH1-NH1 3.19Å; R241-R288 VanDerWaalsContact NH2-CZ 3.31Å
242T97.9Very high95.5Very high18 Ų1867.8 Ų67.811%0.1135%0.346CS..PPolyproline II helixtrans-68.2122.2162.8-56.80000110.1L240 I244 Y245 P302 F303 S304L240-T242 PolarHBondContact O-N 3.18Å; T242-I244 WeakPolarHBondContact CG2-O 2.85Å; T242-Y245 HydrophobicContact CG2-CE1 4.32Å; T242-Y245 HydrophobicContact CG2-CE2 4.15Å; T242-Y245 WeakPolarHBondContact O-CE2 3.43Å; T242-Y245 PolarHBondContact O-OH 3.35Å; T242-P302 HydrophobicContact CG2-CB 3.81Å; T242-F303 WeakPolarHBondContact CG2-O 3.3Å; T242-S304 WeakPolarHBondContact OG1-CA 3.2Å; T242-S304 PolarHBondContact OG1-OG 2.85Å
243T98.6Very high95.5Very high3 Ų365.9 Ų65.92%0.01833%0.334CS..  trans-113.9-12.8-179.3610000112.7S88 L90 R241 T277 L278S88-T243 WeakPolarHBondContact O-CB 3.35Å; S88-T243 PolarHBondContact O-OG1 3.44Å; L90-T243 HydrophobicContact CD1-CG2 4.25Å; L90-T243 HydrophobicContact CD2-CG2 3.96Å; L90-T243 HydrophobicContact CG-CG2 3.67Å; R241-T243 HydrophobicContact CG-CG2 4.19Å; R241-T243 PolarHBondContact O-N 3.47Å; T243-T277 CarbonylContact O-C 3.58Å; T243-T277 VanDerWaalsContact O-CA 3.3Å; T243-T277 WeakPolarHBondContact O-CA 3.37Å; T243-L278 PolarHBondContact O-N 2.73Å
244I98.8Very high95.5Very high0 Ų068.3 Ų68.30%036%0.359CS..EExtended strand (participates in β ladder)trans-106.5129.7-179.2-58.5169.6000109.5F74 P75 S77 H86 T242 P275 F276 F303F74-I244 HydrophobicContact CE1-CD1 4.24Å; F74-I244 HydrophobicContact CE2-CG2 4.29Å; F74-I244 HydrophobicContact CZ-CD1 4.15Å; F74-I244 HydrophobicContact CZ-CG2 4.27Å; P75-I244 HydrophobicContact CG-CB 4.39Å; P75-I244 HydrophobicContact CG-CD1 3.8Å; P75-I244 HydrophobicContact CG-CG1 3.73Å; P75-I244 HydrophobicContact CG-CG2 3.81Å; S77-I244 VanDerWaalsContact OG-CD1 3.26Å; S77-I244 WeakPolarHBondContact OG-CD1 3.31Å; H86-I244 HydrophobicContact CB-CD1 4.25Å; T242-I244 WeakPolarHBondContact CG2-O 2.85Å; I244-P275 HydrophobicContact CG2-CB 4.33Å; I244-F276 VanDerWaalsContact CA-O 3.29Å; I244-F276 WeakPolarHBondContact CA-O 3.37Å; I244-F303 HydrophobicContact CB-CB 3.94Å; I244-F303 HydrophobicContact CG2-CB 3.88Å; I244-F303 HydrophobicContact CG2-CD2 3.99Å; I244-F303 HydrophobicContact CG2-CG 4.03Å; I244-F303 PolarHBondContact O-N 2.5Å
245Y98.8Very high95.5Very high26 Ų2664.5 Ų64.510%0.10234%0.343CS..EExtended strand (participates in β ladder)trans-136.7154.3-179.7-66.8-91.7000110.3T242 P275 F276 L278 V291 A295 L300 Q301 P302T242-Y245 HydrophobicContact CG2-CE1 4.32Å; T242-Y245 HydrophobicContact CG2-CE2 4.15Å; T242-Y245 WeakPolarHBondContact O-CE2 3.43Å; T242-Y245 PolarHBondContact O-OH 3.35Å; Y245-P275 CarbonylContact O-C 3.45Å; Y245-P275 VanDerWaalsContact O-CA 3.31Å; Y245-P275 WeakPolarHBondContact O-CA 3.23Å; Y245-F276 PolarHBondContact N-O 3.28Å; Y245-F276 WeakPolarHBondContact O-CD1 3.47Å; Y245-F276 WeakPolarHBondContact O-CE1 3.39Å; Y245-F276 PolarHBondContact O-N 2.99Å; Y245-L278 HydrophobicContact CD2-CD1 4.49Å; Y245-L278 HydrophobicContact CD2-CD2 4.18Å; Y245-L278 HydrophobicContact CD2-CG 4.17Å; Y245-L278 HydrophobicContact CE2-CD1 3.95Å; Y245-L278 HydrophobicContact CE2-CD2 4.38Å; Y245-L278 HydrophobicContact CE2-CG 4.12Å; Y245-V291 HydrophobicContact CD1-CG2 3.88Å; Y245-V291 HydrophobicContact CD2-CG2 3.8Å; Y245-V291 HydrophobicContact CE1-CG2 3.71Å; Y245-V291 HydrophobicContact CE2-CG2 3.64Å; Y245-V291 HydrophobicContact CG-CG2 3.92Å; Y245-A295 HydrophobicContact CE1-CB 4.08Å; Y245-L300 HydrophobicContact CD1-CB 4.11Å; Y245-Q301 CarbonylContact C-O 3.6Å; Y245-Q301 WeakPolarHBondContact CA-O 3.41Å; Y245-P302 HydrophobicContact CD1-CB 4.14Å; Y245-P302 HydrophobicContact CE1-CB 3.85Å
246K98.6Very high95.6Very high13 Ų1370.1 Ų70.16%0.05736%0.362CS..EExtended strand (participates in β ladder)trans-128.8139.5171.5-178.9-158.3158.2-160.40108.9I193 D194 A273 P275 L300 Q301 F303I193-K246 HydrophobicContact CG2-CD 3.97Å; D194-K246 IonicContact OD1-NZ 2.84Å; D194-K246 PolarHBondContact OD1-NZ 3.07Å; D194-K246 IonicContact OD2-NZ 2.62Å; D194-K246 PolarHBondContact OD2-NZ 3.46Å; K246-A273 WeakPolarHBondContact CE-O 3.24Å; K246-A273 WeakPolarHBondContact CG-O 3.31Å; K246-P275 HydrophobicContact CB-CB 4.42Å; K246-P275 HydrophobicContact CB-CG 4.07Å; K246-P275 HydrophobicContact CD-CG 4.39Å; K246-P275 HydrophobicContact CG-CG 4.08Å; K246-L300 CarbonylContact O-C 3.59Å; K246-L300 VanDerWaalsContact O-CA 3.26Å; K246-L300 WeakPolarHBondContact O-CA 3.41Å; K246-Q301 PolarHBondContact N-O 2.87Å; K246-Q301 PolarHBondContact O-N 2.91Å; K246-F303 HydrophobicContact CB-CE2 3.6Å; K246-F303 HydrophobicContact CB-CZ 4.38Å
247R98.4Very high95.7Very high40 Ų4065.7 Ų65.715%0.15135%0.35CS..EExtended strand (participates in β ladder)trans-70.4134.5171.7-179.8-166.3168167.313.7111.2P249 F264 V267 E268 D272 L299 L300R247-P249 WeakPolarHBondContact O-CD 3.37Å; R247-F264 HydrophobicContact CG-CE2 4.15Å; R247-F264 HydrophobicContact CG-CZ 4.18Å; R247-V267 HydrophobicContact CB-CG1 4.34Å; R247-E268 IonicContact CZ-OE1 2.98Å; R247-E268 IonicContact NH1-OE1 2.87Å; R247-E268 PolarHBondContact NH1-OE1 3.07Å; R247-E268 IonicContact NH2-OE1 2.65Å; R247-E268 PolarHBondContact NH2-OE1 3.35Å; R247-D272 WeakPolarHBondContact CB-O 3.4Å; R247-D272 VanDerWaalsContact CD-O 3.31Å; R247-D272 WeakPolarHBondContact CD-O 3.44Å; R247-L299 WeakPolarHBondContact CA-O 3.31Å; R247-L300 HydrophobicContact CB-CD2 3.96Å
248D97.4Very high95.9Very high36 Ų3669 Ų6919%0.19336%0.36CS..  trans-92.2109.4165.2-172.5-16.2000109.3N250 K251 L299D248-N250 PolarHBondContact O-N 2.8Å; D248-N250 WeakPolarHBondContact OD1-CB 3.49Å; D248-N250 PolarHBondContact OD1-N 3.25Å; D248-K251 HydrophobicContact CB-CB 4.25Å; D248-K251 HydrophobicContact CB-CG 3.98Å; D248-K251 PolarHBondContact O-N 2.79Å; D248-K251 WeakPolarHBondContact OD2-CG 3.35Å; D248-L299 PolarHBondContact N-O 2.97Å
249P94.8Very high96.6Very high66 Ų6668.9 Ų68.943%0.42936%0.358SS..THydrogen-bonded Turntrans-69.9-17.7179.829.7-34.9000113.3R247 K251R247-P249 WeakPolarHBondContact O-CD 3.37Å; P249-K251 VanDerWaalsContact C-N 3.3Å
250N94.7Very high97.1Very high142 Ų14265.6 Ų65.676%0.75932%0.323SS*.THydrogen-bonded Turntrans-84.1-8.4-178.7-59.2-46.1000112.7D248D248-N250 PolarHBondContact O-N 2.8Å; D248-N250 WeakPolarHBondContact OD1-CB 3.49Å; D248-N250 PolarHBondContact OD1-N 3.25Å
251K95.9Very high97.3Very high82 Ų8267.5 Ų67.536%0.35733%0.325SS..  trans-105.2130.7-178.8-63.1-75.9-179.3157.90110.1D248 P249 E298 L299D248-K251 HydrophobicContact CB-CB 4.25Å; D248-K251 HydrophobicContact CB-CG 3.98Å; D248-K251 PolarHBondContact O-N 2.79Å; D248-K251 WeakPolarHBondContact OD2-CG 3.35Å; P249-K251 VanDerWaalsContact C-N 3.3Å; K251-E298 HydrophobicContact CD-CB 4.33Å; K251-E298 HydrophobicContact CG-CB 4.44Å; K251-E298 WeakPolarHBondContact CG-O 3.49Å; K251-E298 IonicContact NZ-OE2 2.73Å; K251-E298 PolarHBondContact NZ-OE2 3.3Å; K251-L299 HydrophobicContact CB-CD2 4.14Å; K251-L299 WeakPolarHBondContact O-CD2 3.41Å
252Q95.1Very high97.5Very high187 Ų18767 Ų6787%0.87433%0.333SS*.  trans-129132.4178.3-66.1-173.3-3.200110.4
253Y97.1Very high97.5Very high95 Ų9566.5 Ų66.537%0.37333%0.329SS..  trans-153.7134.5178.4-177-94.4000111L255 H297Y253-L255 HydrophobicContact CD1-CD2 4.22Å; Y253-L255 PolarHBondContact O-N 3.01Å; Y253-H297 HydrophobicContact CD1-CB 3.87Å; Y253-H297 AromaticContact CD1-CD2 3.9Å; Y253-H297 AromaticContact CD1-CG 3.71Å; Y253-H297 HydrophobicContact CD2-CB 4.33Å; Y253-H297 AromaticContact CD2-ND1 3.88Å; Y253-H297 HydrophobicContact CE1-CB 4.36Å; Y253-H297 AromaticContact CE1-CD2 3.53Å; Y253-H297 AromaticContact CE1-CE1 3.97Å; Y253-H297 AromaticContact CE1-CG 3.69Å; Y253-H297 AromaticContact CE1-ND1 3.96Å; Y253-H297 AromaticContact CE1-NE2 3.74Å; Y253-H297 AromaticContact CE2-CE1 3.79Å; Y253-H297 AromaticContact CE2-ND1 3.59Å; Y253-H297 HydrophobicContact CG-CB 3.86Å; Y253-H297 AromaticContact CG-CG 3.93Å; Y253-H297 AromaticContact CZ-CD2 3.88Å; Y253-H297 AromaticContact CZ-CE1 3.49Å; Y253-H297 VanDerWaalsContact CZ-CE1 3.49Å; Y253-H297 AromaticContact CZ-CG 3.88Å; Y253-H297 AromaticContact CZ-ND1 3.64Å; Y253-H297 AromaticContact CZ-NE2 3.66Å
254G97.7Very high97.5Very high51 Ų5167.4 Ų67.453%0.52633%0.333SS..  trans-79.286.1177.200000112.5K256G254-K256 WeakPolarHBondContact O-CD 3.44Å; G254-K256 WeakPolarHBondContact O-CE 3.3Å; G254-K256 PolarHBondContact O-N 2.92Å; G254-K256 PolarHBondContact O-NZ 2.65Å
255L98.1Very high97.5Very high14 Ų1470.7 Ų70.77%0.07336%0.356CS..  trans-51.3130.7179.1-68.3168.9000112.6Y253 R261 F264 E293 L299Y253-L255 HydrophobicContact CD1-CD2 4.22Å; Y253-L255 PolarHBondContact O-N 3.01Å; L255-R261 HydrophobicContact CB-CG 3.69Å; L255-R261 PolarHBondContact O-NH1 3.42Å; L255-F264 HydrophobicContact CD1-CB 3.67Å; L255-F264 HydrophobicContact CD1-CG 4.06Å; L255-E293 HydrophobicContact CD2-CB 4.19Å; L255-E293 HydrophobicContact CD2-CG 3.63Å; L255-L299 HydrophobicContact CD1-CD1 4.01Å; L255-L299 HydrophobicContact CD2-CD1 3.86Å; L255-L299 HydrophobicContact CG-CD1 3.86Å
256K97.8Very high97.4Very high146 Ų14672 Ų7264%0.63536%0.363SS*.  trans-86.9-38.1-174.3-54.5-53.8178.4-160.10112.2G254 R261 E293G254-K256 WeakPolarHBondContact O-CD 3.44Å; G254-K256 WeakPolarHBondContact O-CE 3.3Å; G254-K256 PolarHBondContact O-N 2.92Å; G254-K256 PolarHBondContact O-NZ 2.65Å; K256-R261 PolarHBondContact O-NH1 3Å; K256-E293 WeakPolarHBondContact CB-OE1 3.28Å; K256-E293 PolarHBondContact N-OE1 3.09Å
257M97.4Very high97.4Very high83 Ų8371.4 Ų71.441%0.40936%0.36SS..SBendtrans-80.4136.4-179.7-57.2178.563.800111.5T259 S260 R261 L289 E293M257-T259 VanDerWaalsContact C-N 3.25Å; M257-T259 PolarHBondContact O-N 3.37Å; M257-S260 WeakPolarHBondContact CB-OG 3.29Å; M257-S260 PolarHBondContact O-N 2.91Å; M257-R261 PolarHBondContact O-N 2.82Å; M257-R261 VanDerWaalsContact O-N 3.08Å; M257-L289 HydrophobicContact CE-CD1 4.21Å; M257-L289 HydrophobicContact CE-CD2 4.24Å; M257-L289 HydrophobicContact CE-CG 4.17Å; M257-E293 VanDerWaalsContact CB-OE2 3.31Å; M257-E293 WeakPolarHBondContact CB-OE2 3.49Å; M257-E293 WeakPolarHBondContact CG-OE2 3.23Å; M257-E293 PolarHBondContact N-OE2 3.13Å; M257-E293 VanDerWaalsContact N-OE2 3.16Å
258K97.6Very high97.2Very high160 Ų16072.7 Ų72.770%0.69637%0.368SS*.Hα-helixtrans-59.9-38.4175.2-176.5179.3176.3-178.70111.6R261 T262K258-R261 PolarHBondContact O-N 3.3Å; K258-T262 WeakPolarHBondContact O-CB 3.16Å; K258-T262 PolarHBondContact O-N 2.91Å; K258-T262 PolarHBondContact O-OG1 3.29Å
259T97.8Very high97.1Very high45 Ų4580 Ų8028%0.27639%0.393SS..Hα-helixtrans-60.8-48.1177.2-49.40000111.2M257 T262 F263 K286 L289M257-T259 VanDerWaalsContact C-N 3.25Å; M257-T259 PolarHBondContact O-N 3.37Å; T259-T262 PolarHBondContact O-N 2.8Å; T259-F263 WeakPolarHBondContact O-CB 3.48Å; T259-F263 PolarHBondContact O-N 3.06Å; T259-K286 HydrophobicContact CG2-CB 4.33Å; T259-L289 HydrophobicContact CG2-CB 4.33Å; T259-L289 HydrophobicContact CG2-CD2 4.21Å; T259-L289 HydrophobicContact CG2-CG 4.38Å
260S98.3Very high97.2Very high0 Ų081.3 Ų81.30%039%0.389CS..Hα-helixtrans-63.3-42.9178.2-45.10000112.3M257 T262 F263 F264 E293M257-S260 WeakPolarHBondContact CB-OG 3.29Å; M257-S260 PolarHBondContact O-N 2.91Å; S260-T262 PolarHBondContact O-N 2.89Å; S260-F263 PolarHBondContact O-N 3.05Å; S260-F264 VanDerWaalsContact O-CB 3.32Å; S260-F264 WeakPolarHBondContact O-CB 3.41Å; S260-F264 PolarHBondContact O-N 3Å; S260-E293 WeakPolarHBondContact CB-OE2 3.47Å; S260-E293 WeakPolarHBondContact OG-CB 3.4Å; S260-E293 PolarHBondContact OG-OE2 2.81Å
261R98.4Very high97.3Very high115 Ų11576.4 Ų76.443%0.43436%0.361SS..Hα-helixtrans-58.7-47.2174.9-74-168.5-60.6-82.61.9112.1L255 K256 M257 K258 F264 S265L255-R261 HydrophobicContact CB-CG 3.69Å; L255-R261 PolarHBondContact O-NH1 3.42Å; K256-R261 PolarHBondContact O-NH1 3Å; M257-R261 PolarHBondContact O-N 2.82Å; M257-R261 VanDerWaalsContact O-N 3.08Å; K258-R261 PolarHBondContact O-N 3.3Å; R261-F264 PolarHBondContact O-N 3.31Å; R261-S265 PolarHBondContact O-N 3.28Å; R261-S265 PolarHBondContact O-OG 3.4Å
262T98Very high97.2Very high85 Ų8574.7 Ų74.752%0.52136%0.356SS..Hα-helixtrans-62.9-45.7-179.8-51.90000110.8K258 T259 S260 E266K258-T262 WeakPolarHBondContact O-CB 3.16Å; K258-T262 PolarHBondContact O-N 2.91Å; K258-T262 PolarHBondContact O-OG1 3.29Å; T259-T262 PolarHBondContact O-N 2.8Å; S260-T262 PolarHBondContact O-N 2.89Å; T262-E266 PolarHBondContact O-N 3.41Å; T262-E266 VanDerWaalsContact O-N 3.09Å
263F98.5Very high97.2Very high8 Ų866.4 Ų66.44%0.03532%0.319CS..Hα-helixtrans-60.6-48.7176.3170.4-102.6000112T259 S260 E266 V267 F276 L278 F281 A287 V291 L300T259-F263 WeakPolarHBondContact O-CB 3.48Å; T259-F263 PolarHBondContact O-N 3.06Å; S260-F263 PolarHBondContact O-N 3.05Å; F263-E266 WeakPolarHBondContact O-CB 3.48Å; F263-E266 PolarHBondContact O-N 3.28Å; F263-V267 HydrophobicContact CD1-CG2 4.49Å; F263-V267 HydrophobicContact CE1-CG2 4.11Å; F263-V267 HydrophobicContact CE2-CG2 4.27Å; F263-V267 HydrophobicContact CZ-CG2 3.98Å; F263-V267 WeakPolarHBondContact O-CG2 3.47Å; F263-V267 PolarHBondContact O-N 2.94Å; F263-F276 HydrophobicContact CZ-CE2 4.1Å; F263-F276 HydrophobicContact CZ-CZ 4.25Å; F263-L278 HydrophobicContact CE2-CD2 3.99Å; F263-L278 HydrophobicContact CZ-CD2 3.8Å; F263-F281 HydrophobicContact CD2-CD1 4.09Å; F263-F281 AromaticContact CD2-CE1 3.62Å; F263-F281 HydrophobicContact CD2-CE1 3.62Å; F263-F281 HydrophobicContact CD2-CE2 4.45Å; F263-F281 AromaticContact CD2-CZ 3.83Å; F263-F281 HydrophobicContact CD2-CZ 3.83Å; F263-F281 HydrophobicContact CE2-CD1 4.16Å; F263-F281 HydrophobicContact CE2-CD2 4.14Å; F263-F281 AromaticContact CE2-CE1 3.61Å; F263-F281 HydrophobicContact CE2-CE1 3.61Å; F263-F281 AromaticContact CE2-CE2 3.62Å; F263-F281 HydrophobicContact CE2-CE2 3.62Å; F263-F281 HydrophobicContact CE2-CG 4.4Å; F263-F281 AromaticContact CE2-CZ 3.32Å; F263-F281 HydrophobicContact CE2-CZ 3.32Å; F263-F281 HydrophobicContact CZ-CE2 4.35Å; F263-F281 HydrophobicContact CZ-CZ 4.11Å; F263-A287 HydrophobicContact CD2-CB 4.19Å; F263-A287 HydrophobicContact CE2-CB 3.96Å; F263-V291 HydrophobicContact CE1-CB 3.84Å; F263-V291 HydrophobicContact CE1-CG2 4.14Å; F263-V291 HydrophobicContact CZ-CB 3.87Å; F263-V291 HydrophobicContact CZ-CG2 4.14Å; F263-L300 HydrophobicContact CE1-CD1 3.63Å; F263-L300 HydrophobicContact CZ-CD1 4.23Å
264F98.3Very high97.3Very high22 Ų2262.2 Ų62.210%0.09630%0.303CS..Hα-helixtrans-62-47.5-179.9-170-101.3000111.4R247 L255 S260 R261 E266 V267 E268 L299 L300R247-F264 HydrophobicContact CG-CE2 4.15Å; R247-F264 HydrophobicContact CG-CZ 4.18Å; L255-F264 HydrophobicContact CD1-CB 3.67Å; L255-F264 HydrophobicContact CD1-CG 4.06Å; S260-F264 VanDerWaalsContact O-CB 3.32Å; S260-F264 WeakPolarHBondContact O-CB 3.41Å; S260-F264 PolarHBondContact O-N 3Å; R261-F264 PolarHBondContact O-N 3.31Å; F264-E266 PolarHBondContact O-N 2.76Å; F264-V267 WeakPolarHBondContact O-CA 3.36Å; F264-V267 VanDerWaalsContact O-CB 3.31Å; F264-V267 WeakPolarHBondContact O-CB 3.2Å; F264-V267 PolarHBondContact O-N 3.06Å; F264-E268 HydrophobicContact CD1-CG 3.93Å; F264-E268 VanDerWaalsContact CE1-CD 3.46Å; F264-E268 HydrophobicContact CE1-CG 3.73Å; F264-E268 WeakPolarHBondContact CE1-OE1 3.28Å; F264-E268 HydrophobicContact CZ-CG 4.26Å; F264-E268 WeakPolarHBondContact O-CG 3.35Å; F264-E268 PolarHBondContact O-N 3.22Å; F264-L299 HydrophobicContact CD2-CB 4.36Å; F264-L299 HydrophobicContact CD2-CD1 4.3Å; F264-L299 HydrophobicContact CE2-CB 3.76Å; F264-L299 HydrophobicContact CE2-CD1 4.14Å; F264-L299 HydrophobicContact CE2-CG 4.49Å; F264-L299 HydrophobicContact CZ-CB 4.39Å; F264-L299 HydrophobicContact CZ-CD1 4.41Å; F264-L300 HydrophobicContact CE2-CD2 4.44Å
265S98Very high97.3Very high68 Ų6859.8 Ų59.848%0.47628%0.278SS..Hα-helixtrans-59.8-33.3175.9-63.60000113.1R261 R269R261-S265 PolarHBondContact O-N 3.28Å; R261-S265 PolarHBondContact O-OG 3.4Å; S265-R269 WeakPolarHBondContact O-CB 3.37Å; S265-R269 PolarHBondContact O-N 2.67Å
266E97.9Very high97.4Very high55 Ų5559.3 Ų59.326%0.25728%0.276SS..Hα-helixtrans-68.1-40.7172.3-176.3176.6172.200112.1T262 F263 F264 R269 R270 F281T262-E266 PolarHBondContact O-N 3.41Å; T262-E266 VanDerWaalsContact O-N 3.09Å; F263-E266 WeakPolarHBondContact O-CB 3.48Å; F263-E266 PolarHBondContact O-N 3.28Å; F264-E266 PolarHBondContact O-N 2.76Å; E266-R269 PolarHBondContact O-N 2.96Å; E266-R270 VanDerWaalsContact CG-CD 3.43Å; E266-R270 HydrophobicContact CG-CG 4.13Å; E266-R270 WeakPolarHBondContact O-CB 3.37Å; E266-R270 WeakPolarHBondContact O-CG 3.49Å; E266-R270 PolarHBondContact O-N 3.22Å; E266-R270 VanDerWaalsContact OE1-CD 3.31Å; E266-R270 WeakPolarHBondContact OE1-CD 3.39Å; E266-R270 IonicContact OE1-CZ 2.62Å; E266-R270 IonicContact OE1-NE 2.71Å; E266-R270 IonicContact OE1-NH1 3.81Å; E266-R270 PolarHBondContact OE1-NH1 2.97Å; E266-F281 HydrophobicContact CB-CE1 4.21Å; E266-F281 HydrophobicContact CG-CD1 4.36Å; E266-F281 HydrophobicContact CG-CE1 3.86Å
267V98Very high97.4Very high0 Ų052.6 Ų52.60%025%0.247CC..Hα-helixtrans-57.5-52.1173.2170.70000110.9R247 F263 F264 R269 R270 F271 D272 F276 F281 L300R247-V267 HydrophobicContact CB-CG1 4.34Å; F263-V267 HydrophobicContact CD1-CG2 4.49Å; F263-V267 HydrophobicContact CE1-CG2 4.11Å; F263-V267 HydrophobicContact CE2-CG2 4.27Å; F263-V267 HydrophobicContact CZ-CG2 3.98Å; F263-V267 WeakPolarHBondContact O-CG2 3.47Å; F263-V267 PolarHBondContact O-N 2.94Å; F264-V267 WeakPolarHBondContact O-CA 3.36Å; F264-V267 VanDerWaalsContact O-CB 3.31Å; F264-V267 WeakPolarHBondContact O-CB 3.2Å; F264-V267 PolarHBondContact O-N 3.06Å; V267-R269 VanDerWaalsContact C-N 3.27Å; V267-R269 PolarHBondContact O-N 3.27Å; V267-R270 PolarHBondContact O-N 3.28Å; V267-F271 HydrophobicContact CG1-CD2 4.45Å; V267-F271 PolarHBondContact O-N 3.18Å; V267-D272 PolarHBondContact O-N 3.36Å; V267-F276 HydrophobicContact CB-CE1 4.33Å; V267-F276 HydrophobicContact CB-CZ 4.34Å; V267-F276 HydrophobicContact CG1-CD1 4.1Å; V267-F276 HydrophobicContact CG1-CE1 3.41Å; V267-F276 VanDerWaalsContact CG1-CE1 3.41Å; V267-F276 HydrophobicContact CG1-CZ 3.86Å; V267-F276 HydrophobicContact CG2-CE1 3.91Å; V267-F276 HydrophobicContact CG2-CE2 3.95Å; V267-F276 HydrophobicContact CG2-CZ 3.45Å; V267-F276 VanDerWaalsContact CG2-CZ 3.45Å; V267-F281 HydrophobicContact CG2-CE1 4.42Å; V267-F281 HydrophobicContact CG2-CZ 3.71Å; V267-L300 HydrophobicContact CG1-CD2 4.29Å
268E95.1Very high97.5Very high67 Ų6748.7 Ų48.731%0.31323%0.228SC..Hα-helixtrans-57.3-42.7-178.7-56.1-172.6105.100111.5R247 F264 D272R247-E268 IonicContact CZ-OE1 2.98Å; R247-E268 IonicContact NH1-OE1 2.87Å; R247-E268 PolarHBondContact NH1-OE1 3.07Å; R247-E268 IonicContact NH2-OE1 2.65Å; R247-E268 PolarHBondContact NH2-OE1 3.35Å; F264-E268 HydrophobicContact CD1-CG 3.93Å; F264-E268 VanDerWaalsContact CE1-CD 3.46Å; F264-E268 HydrophobicContact CE1-CG 3.73Å; F264-E268 WeakPolarHBondContact CE1-OE1 3.28Å; F264-E268 HydrophobicContact CZ-CG 4.26Å; F264-E268 WeakPolarHBondContact O-CG 3.35Å; F264-E268 PolarHBondContact O-N 3.22Å; E268-D272 WeakPolarHBondContact O-CA 3.26Å; E268-D272 PolarHBondContact O-N 2.9Å
269R95.3Very high97.5Very high188 Ų18842.4 Ų42.471%0.70920%0.199SC*.Hα-helixtrans-71-38.7-178.6-175-177.76382.60.1113S265 E266 V267S265-R269 WeakPolarHBondContact O-CB 3.37Å; S265-R269 PolarHBondContact O-N 2.67Å; E266-R269 PolarHBondContact O-N 2.96Å; V267-R269 VanDerWaalsContact C-N 3.27Å; V267-R269 PolarHBondContact O-N 3.27Å
270R95.5Very high97.5Very high95 Ų9541.9 Ų41.936%0.35820%0.2SC..Hα-helixtrans-93.4-39.5-170.3-68.7179.266-169-6.6113.7E266 V267 A280E266-R270 VanDerWaalsContact CG-CD 3.43Å; E266-R270 HydrophobicContact CG-CG 4.13Å; E266-R270 WeakPolarHBondContact O-CB 3.37Å; E266-R270 WeakPolarHBondContact O-CG 3.49Å; E266-R270 PolarHBondContact O-N 3.22Å; E266-R270 VanDerWaalsContact OE1-CD 3.31Å; E266-R270 WeakPolarHBondContact OE1-CD 3.39Å; E266-R270 IonicContact OE1-CZ 2.62Å; E266-R270 IonicContact OE1-NE 2.71Å; E266-R270 IonicContact OE1-NH1 3.81Å; E266-R270 PolarHBondContact OE1-NH1 2.97Å; V267-R270 PolarHBondContact O-N 3.28Å; R270-A280 VanDerWaalsContact CZ-O 3.27Å; R270-A280 PolarHBondContact NH1-O 3.14Å; R270-A280 PolarHBondContact NH2-O 3.12Å
271F96.7Very high97.5Very high39 Ų3942.6 Ų42.617%0.17120%0.203CC..THydrogen-bonded Turntrans-120.3-16.1-169.9-47.9-61.3000112.5V267 A273 M274 F276 A280 F281V267-F271 HydrophobicContact CG1-CD2 4.45Å; V267-F271 PolarHBondContact O-N 3.18Å; F271-A273 PolarHBondContact O-N 3.29Å; F271-A273 VanDerWaalsContact O-N 3.11Å; F271-M274 WeakPolarHBondContact O-CB 3.34Å; F271-M274 PolarHBondContact O-N 3.24Å; F271-F276 HydrophobicContact CB-CB 4.2Å; F271-F276 HydrophobicContact CB-CD1 4.1Å; F271-F276 HydrophobicContact CB-CG 4.41Å; F271-F276 HydrophobicContact CD1-CB 3.87Å; F271-F276 HydrophobicContact CD2-CB 3.65Å; F271-F276 AromaticContact CD2-CD1 3.82Å; F271-F276 HydrophobicContact CD2-CD1 3.82Å; F271-F276 HydrophobicContact CD2-CD2 4.06Å; F271-F276 AromaticContact CD2-CG 3.56Å; F271-F276 HydrophobicContact CD2-CG 3.56Å; F271-F276 HydrophobicContact CE1-CB 4.14Å; F271-F276 HydrophobicContact CE2-CB 3.94Å; F271-F276 HydrophobicContact CE2-CD2 4.05Å; F271-F276 AromaticContact CE2-CG 3.95Å; F271-F276 HydrophobicContact CE2-CG 3.95Å; F271-F276 HydrophobicContact CG-CB 3.62Å; F271-F276 HydrophobicContact CG-CD1 4.12Å; F271-F276 AromaticContact CG-CG 3.97Å; F271-F276 HydrophobicContact CG-CG 3.97Å; F271-F276 HydrophobicContact CZ-CB 4.18Å; F271-A280 HydrophobicContact CE1-CB 4.29Å; F271-A280 HydrophobicContact CZ-CB 3.7Å; F271-F281 AromaticContact CE2-CE2 3.95Å; F271-F281 HydrophobicContact CE2-CE2 3.95Å; F271-F281 AromaticContact CE2-CZ 3.76Å; F271-F281 HydrophobicContact CE2-CZ 3.76Å
272D94.3Very high97.3Very high46 Ų4646.9 Ų46.925%0.24623%0.228CC..THydrogen-bonded Turntrans56.6-111.7-176.6-166.517000111.1K69 R247 V267 E268K69-D272 IonicContact NZ-OD1 2.92Å; K69-D272 IonicContact NZ-OD2 3.9Å; K69-D272 PolarHBondContact NZ-OD2 3.22Å; R247-D272 WeakPolarHBondContact CB-O 3.4Å; R247-D272 VanDerWaalsContact CD-O 3.31Å; R247-D272 WeakPolarHBondContact CD-O 3.44Å; V267-D272 PolarHBondContact O-N 3.36Å; E268-D272 WeakPolarHBondContact O-CA 3.26Å; E268-D272 PolarHBondContact O-N 2.9Å
273A95.8Very high97.2Very high12 Ų1245.8 Ų45.810%0.09922%0.219CC..THydrogen-bonded Turntrans-106.88.8174.500000113.7K246 F271K246-A273 WeakPolarHBondContact CE-O 3.24Å; K246-A273 WeakPolarHBondContact CG-O 3.31Å; F271-A273 PolarHBondContact O-N 3.29Å; F271-A273 VanDerWaalsContact O-N 3.11Å
274M98.4Very high97.1Very high7 Ų747.1 Ų47.13%0.03423%0.225CC..SBendtrans-78.7143.5176.9-64.8-65.917100111.3A73 H111 I116 F271A73-M274 HydrophobicContact CB-SD 4.1Å; H111-M274 HydrophobicContact CB-CE 3.95Å; I116-M274 HydrophobicContact CD1-CE 3.87Å; I116-M274 HydrophobicContact CD1-SD 3.98Å; I116-M274 HydrophobicContact CG1-CE 3.77Å; I116-M274 HydrophobicContact CG1-SD 4.04Å; F271-M274 WeakPolarHBondContact O-CB 3.34Å; F271-M274 PolarHBondContact O-N 3.24Å
275P98.8Very high97Very high1 Ų149.4 Ų49.41%0.00625%0.248CC..  trans-54.1139166.9-27.733000113.2A73 F74 I193 I244 Y245 K246 F303A73-P275 VanDerWaalsContact O-CD 3.23Å; A73-P275 WeakPolarHBondContact O-CD 3.31Å; F74-P275 HydrophobicContact CD2-CB 3.78Å; F74-P275 HydrophobicContact CD2-CG 3.95Å; F74-P275 HydrophobicContact CE2-CB 4.15Å; F74-P275 HydrophobicContact CE2-CG 4.43Å; I193-P275 HydrophobicContact CD1-CG 3.98Å; I193-P275 HydrophobicContact CG2-CG 4.23Å; I244-P275 HydrophobicContact CG2-CB 4.33Å; Y245-P275 CarbonylContact O-C 3.45Å; Y245-P275 VanDerWaalsContact O-CA 3.31Å; Y245-P275 WeakPolarHBondContact O-CA 3.23Å; K246-P275 HydrophobicContact CB-CB 4.42Å; K246-P275 HydrophobicContact CB-CG 4.07Å; K246-P275 HydrophobicContact CD-CG 4.39Å; K246-P275 HydrophobicContact CG-CG 4.08Å; P275-F303 HydrophobicContact CB-CE2 4.45Å; P275-F303 HydrophobicContact CG-CE2 4.24Å; P275-F303 HydrophobicContact CG-CZ 4.15Å
276F98.9Very high96.9Very high4 Ų452.2 Ų52.22%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-140.9156.2179.765.3-89.4000111I244 Y245 F263 V267 F271 L278 F281 L300I244-F276 VanDerWaalsContact CA-O 3.29Å; I244-F276 WeakPolarHBondContact CA-O 3.37Å; Y245-F276 PolarHBondContact N-O 3.28Å; Y245-F276 WeakPolarHBondContact O-CD1 3.47Å; Y245-F276 WeakPolarHBondContact O-CE1 3.39Å; Y245-F276 PolarHBondContact O-N 2.99Å; F263-F276 HydrophobicContact CZ-CE2 4.1Å; F263-F276 HydrophobicContact CZ-CZ 4.25Å; V267-F276 HydrophobicContact CB-CE1 4.33Å; V267-F276 HydrophobicContact CB-CZ 4.34Å; V267-F276 HydrophobicContact CG1-CD1 4.1Å; V267-F276 HydrophobicContact CG1-CE1 3.41Å; V267-F276 VanDerWaalsContact CG1-CE1 3.41Å; V267-F276 HydrophobicContact CG1-CZ 3.86Å; V267-F276 HydrophobicContact CG2-CE1 3.91Å; V267-F276 HydrophobicContact CG2-CE2 3.95Å; V267-F276 HydrophobicContact CG2-CZ 3.45Å; V267-F276 VanDerWaalsContact CG2-CZ 3.45Å; F271-F276 HydrophobicContact CB-CB 4.2Å; F271-F276 HydrophobicContact CB-CD1 4.1Å; F271-F276 HydrophobicContact CB-CG 4.41Å; F271-F276 HydrophobicContact CD1-CB 3.87Å; F271-F276 HydrophobicContact CD2-CB 3.65Å; F271-F276 AromaticContact CD2-CD1 3.82Å; F271-F276 HydrophobicContact CD2-CD1 3.82Å; F271-F276 HydrophobicContact CD2-CD2 4.06Å; F271-F276 AromaticContact CD2-CG 3.56Å; F271-F276 HydrophobicContact CD2-CG 3.56Å; F271-F276 HydrophobicContact CE1-CB 4.14Å; F271-F276 HydrophobicContact CE2-CB 3.94Å; F271-F276 HydrophobicContact CE2-CD2 4.05Å; F271-F276 AromaticContact CE2-CG 3.95Å; F271-F276 HydrophobicContact CE2-CG 3.95Å; F271-F276 HydrophobicContact CG-CB 3.62Å; F271-F276 HydrophobicContact CG-CD1 4.12Å; F271-F276 AromaticContact CG-CG 3.97Å; F271-F276 HydrophobicContact CG-CG 3.97Å; F271-F276 HydrophobicContact CZ-CB 4.18Å; F276-L278 HydrophobicContact CE2-CD2 4.24Å; F276-F281 AromaticContact CD2-CE2 3.76Å; F276-F281 HydrophobicContact CD2-CE2 3.76Å; F276-F281 HydrophobicContact CD2-CZ 4.32Å; F276-F281 AromaticContact CE2-CE2 3.71Å; F276-F281 HydrophobicContact CE2-CE2 3.71Å; F276-F281 HydrophobicContact CE2-CZ 4.06Å; F276-L300 HydrophobicContact CE1-CD2 4.08Å; F276-L300 HydrophobicContact CZ-CD1 4.09Å; F276-L300 HydrophobicContact CZ-CD2 4.14Å
277T98.8Very high96.9Very high4 Ų449.7 Ų49.73%0.02524%0.241CC..EExtended strand (participates in β ladder)trans-97.7145172176.10000110.9P75 T243 R279 A280P75-T277 HydrophobicContact CB-CG2 3.85Å; T243-T277 CarbonylContact O-C 3.58Å; T243-T277 VanDerWaalsContact O-CA 3.3Å; T243-T277 WeakPolarHBondContact O-CA 3.37Å; T277-R279 HydrophobicContact CG2-CB 4.01Å; T277-R279 PolarHBondContact O-N 3.21Å; T277-R279 VanDerWaalsContact O-N 3.15Å; T277-R279 PolarHBondContact OG1-N 2.65Å; T277-A280 HydrophobicContact CG2-CB 4.48Å; T277-A280 WeakPolarHBondContact O-CB 3.42Å; T277-A280 PolarHBondContact O-N 3.06Å
278L98.6Very high96.8Very high2 Ų254.2 Ų54.21%0.0126%0.258CS..G310 helixtrans-61.6-19.2173.5-59.4176.6000112.8L90 T243 Y245 F263 F276 A280 F281 A287 R288 V291L90-L278 HydrophobicContact CD1-CB 4.42Å; L90-L278 HydrophobicContact CD2-CB 3.8Å; T243-L278 PolarHBondContact O-N 2.73Å; Y245-L278 HydrophobicContact CD2-CD1 4.49Å; Y245-L278 HydrophobicContact CD2-CD2 4.18Å; Y245-L278 HydrophobicContact CD2-CG 4.17Å; Y245-L278 HydrophobicContact CE2-CD1 3.95Å; Y245-L278 HydrophobicContact CE2-CD2 4.38Å; Y245-L278 HydrophobicContact CE2-CG 4.12Å; F263-L278 HydrophobicContact CE2-CD2 3.99Å; F263-L278 HydrophobicContact CZ-CD2 3.8Å; F276-L278 HydrophobicContact CE2-CD2 4.24Å; L278-A280 PolarHBondContact O-N 3.44Å; L278-F281 WeakPolarHBondContact O-CD2 3.24Å; L278-F281 PolarHBondContact O-N 3.29Å; L278-A287 HydrophobicContact CD2-CB 4.42Å; L278-R288 HydrophobicContact CD1-CG 4.45Å; L278-V291 HydrophobicContact CD1-CG1 4.07Å; L278-V291 HydrophobicContact CD2-CB 4.13Å; L278-V291 HydrophobicContact CD2-CG1 4.45Å; L278-V291 HydrophobicContact CD2-CG2 4.16Å
279R98.1Very high96.9Very high27 Ų2755.1 Ų55.110%0.10226%0.264CS..G310 helixtrans-62.2-20.4173.5-174.517661.4-105.9-6.6112.9D51 S88 P89 L90 T277 F281D51-R279 IonicContact OD2-CZ 3.99Å; D51-R279 IonicContact OD2-NH2 2.99Å; D51-R279 PolarHBondContact OD2-NH2 3.38Å; S88-R279 PolarHBondContact OG-NH1 3.08Å; S88-R279 PolarHBondContact OG-NH2 3.34Å; P89-R279 PolarHBondContact O-NH1 3.39Å; L90-R279 HydrophobicContact CD2-CB 4.06Å; T277-R279 HydrophobicContact CG2-CB 4.01Å; T277-R279 PolarHBondContact O-N 3.21Å; T277-R279 VanDerWaalsContact O-N 3.15Å; T277-R279 PolarHBondContact OG1-N 2.65Å; R279-F281 PolarHBondContact O-N 2.78Å
280A97.9Very high97Very high34 Ų3446.2 Ų46.228%0.28123%0.23SC..G310 helixtrans-73.4-8.9179.800000113.7R270 F271 T277 L278R270-A280 VanDerWaalsContact CZ-O 3.27Å; R270-A280 PolarHBondContact NH1-O 3.14Å; R270-A280 PolarHBondContact NH2-O 3.12Å; F271-A280 HydrophobicContact CE1-CB 4.29Å; F271-A280 HydrophobicContact CZ-CB 3.7Å; T277-A280 HydrophobicContact CG2-CB 4.48Å; T277-A280 WeakPolarHBondContact O-CB 3.42Å; T277-A280 PolarHBondContact O-N 3.06Å; L278-A280 PolarHBondContact O-N 3.44Å
281F97.9Very high97.1Very high16 Ų1642 Ų427%0.0722%0.215CC..SBendtrans-93.3140177.8-64.9-96.9000110.7F263 E266 V267 F271 F276 L278 R279 D283 A287F263-F281 HydrophobicContact CD2-CD1 4.09Å; F263-F281 AromaticContact CD2-CE1 3.62Å; F263-F281 HydrophobicContact CD2-CE1 3.62Å; F263-F281 HydrophobicContact CD2-CE2 4.45Å; F263-F281 AromaticContact CD2-CZ 3.83Å; F263-F281 HydrophobicContact CD2-CZ 3.83Å; F263-F281 HydrophobicContact CE2-CD1 4.16Å; F263-F281 HydrophobicContact CE2-CD2 4.14Å; F263-F281 AromaticContact CE2-CE1 3.61Å; F263-F281 HydrophobicContact CE2-CE1 3.61Å; F263-F281 AromaticContact CE2-CE2 3.62Å; F263-F281 HydrophobicContact CE2-CE2 3.62Å; F263-F281 HydrophobicContact CE2-CG 4.4Å; F263-F281 AromaticContact CE2-CZ 3.32Å; F263-F281 HydrophobicContact CE2-CZ 3.32Å; F263-F281 HydrophobicContact CZ-CE2 4.35Å; F263-F281 HydrophobicContact CZ-CZ 4.11Å; E266-F281 HydrophobicContact CB-CE1 4.21Å; E266-F281 HydrophobicContact CG-CD1 4.36Å; E266-F281 HydrophobicContact CG-CE1 3.86Å; V267-F281 HydrophobicContact CG2-CE1 4.42Å; V267-F281 HydrophobicContact CG2-CZ 3.71Å; F271-F281 AromaticContact CE2-CE2 3.95Å; F271-F281 HydrophobicContact CE2-CE2 3.95Å; F271-F281 AromaticContact CE2-CZ 3.76Å; F271-F281 HydrophobicContact CE2-CZ 3.76Å; F276-F281 AromaticContact CD2-CE2 3.76Å; F276-F281 HydrophobicContact CD2-CE2 3.76Å; F276-F281 HydrophobicContact CD2-CZ 4.32Å; F276-F281 AromaticContact CE2-CE2 3.71Å; F276-F281 HydrophobicContact CE2-CE2 3.71Å; F276-F281 HydrophobicContact CE2-CZ 4.06Å; L278-F281 WeakPolarHBondContact O-CD2 3.24Å; L278-F281 PolarHBondContact O-N 3.29Å; R279-F281 PolarHBondContact O-N 2.78Å; F281-D283 PolarHBondContact O-N 2.76Å; F281-A287 HydrophobicContact CB-CB 3.74Å; F281-A287 HydrophobicContact CD1-CB 4.4Å; F281-A287 HydrophobicContact CD2-CB 4.05Å; F281-A287 HydrophobicContact CG-CB 3.8Å
282E94.1Very high97.2Very high204 Ų20444.7 Ų44.795%0.95324%0.235SC*.SBendtrans-64.4-41.1179.9-64.9-178.7174.600112
283D96.2Very high97.4Very high63 Ų6343.4 Ų43.434%0.33723%0.227SC..  trans-104.691.7178.4-171.3-30.3000110.2F281 A285 K286 A287F281-D283 PolarHBondContact O-N 2.76Å; D283-A285 VanDerWaalsContact C-N 3.26Å; D283-A285 PolarHBondContact O-N 3.25Å; D283-A285 PolarHBondContact OD1-N 3.04Å; D283-K286 HydrophobicContact CB-CB 4.14Å; D283-K286 HydrophobicContact CB-CD 4.31Å; D283-K286 HydrophobicContact CB-CG 4.35Å; D283-K286 PolarHBondContact O-N 3.22Å; D283-K286 PolarHBondContact OD1-N 3.43Å; D283-K286 VanDerWaalsContact OD2-CD 3.27Å; D283-K286 WeakPolarHBondContact OD2-CD 3.17Å; D283-K286 VanDerWaalsContact OD2-CE 3.29Å; D283-K286 WeakPolarHBondContact OD2-CE 3.4Å; D283-K286 WeakPolarHBondContact OD2-CG 3.4Å; D283-K286 IonicContact OD2-NZ 3.4Å; D283-K286 PolarHBondContact OD2-NZ 2.83Å; D283-A287 PolarHBondContact O-N 2.88Å
284E95.8Very high97.5Very high35 Ų3542.8 Ų42.816%0.16422%0.222CC..Hα-helixtrans-58.9-36.8-178.6-166.9-172.9109.400112.3L90 K91 S92 A287 R288L90-E284 HydrophobicContact CD1-CG 4.03Å; K91-E284 PolarHBondContact N-OE2 2.86Å; S92-E284 WeakPolarHBondContact CB-OE1 3.36Å; S92-E284 PolarHBondContact OG-OE1 3.18Å; E284-A287 PolarHBondContact O-N 2.89Å; E284-R288 WeakPolarHBondContact O-CB 3.37Å; E284-R288 VanDerWaalsContact O-CG 3.3Å; E284-R288 WeakPolarHBondContact O-CG 3.48Å; E284-R288 PolarHBondContact O-N 3.02Å
285A96.3Very high97.5Very high70 Ų7044 Ų4458%0.57923%0.233SC*.Hα-helixtrans-67.2-42.3-179.300000111.5D283 L289D283-A285 VanDerWaalsContact C-N 3.26Å; D283-A285 PolarHBondContact O-N 3.25Å; D283-A285 PolarHBondContact OD1-N 3.04Å; A285-L289 PolarHBondContact O-N 3.18Å; A285-L289 VanDerWaalsContact O-N 3.08Å
286K96.5Very high97.5Very high127 Ų12751.6 Ų51.655%0.55227%0.266SS*.Hα-helixtrans-66.6-41.3173.7-74.7-174.3-171.3115.80112.3T259 D283 R288 L289 G290T259-K286 HydrophobicContact CG2-CB 4.33Å; D283-K286 HydrophobicContact CB-CB 4.14Å; D283-K286 HydrophobicContact CB-CD 4.31Å; D283-K286 HydrophobicContact CB-CG 4.35Å; D283-K286 PolarHBondContact O-N 3.22Å; D283-K286 PolarHBondContact OD1-N 3.43Å; D283-K286 VanDerWaalsContact OD2-CD 3.27Å; D283-K286 WeakPolarHBondContact OD2-CD 3.17Å; D283-K286 VanDerWaalsContact OD2-CE 3.29Å; D283-K286 WeakPolarHBondContact OD2-CE 3.4Å; D283-K286 WeakPolarHBondContact OD2-CG 3.4Å; D283-K286 IonicContact OD2-NZ 3.4Å; D283-K286 PolarHBondContact OD2-NZ 2.83Å; K286-R288 VanDerWaalsContact C-N 3.35Å; K286-L289 PolarHBondContact O-N 3.27Å; K286-G290 PolarHBondContact O-N 2.87Å
287A97.8Very high97.4Very high3 Ų354.1 Ų54.13%0.02528%0.278CS..Hα-helixtrans-60.6-46.1177.100000111.2F263 L278 F281 D283 E284 L289 G290 V291F263-A287 HydrophobicContact CD2-CB 4.19Å; F263-A287 HydrophobicContact CE2-CB 3.96Å; L278-A287 HydrophobicContact CD2-CB 4.42Å; F281-A287 HydrophobicContact CB-CB 3.74Å; F281-A287 HydrophobicContact CD1-CB 4.4Å; F281-A287 HydrophobicContact CD2-CB 4.05Å; F281-A287 HydrophobicContact CG-CB 3.8Å; D283-A287 PolarHBondContact O-N 2.88Å; E284-A287 PolarHBondContact O-N 2.89Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.32Å; A287-G290 PolarHBondContact O-N 3Å; A287-V291 WeakPolarHBondContact O-CB 3.46Å; A287-V291 PolarHBondContact O-N 3.05Å
288R97Very high97.4Very high95 Ų9559.5 Ų59.536%0.35830%0.303SS..Hα-helixtrans-60.4-36.4174.8-79.1176.149-177.4-9.8113.6L90 R241 L278 E284 K286 V291 V292L90-R288 HydrophobicContact CD1-CG 4.2Å; R241-R288 VanDerWaalsContact NH1-CZ 3.32Å; R241-R288 VanDerWaalsContact NH1-NH1 3.19Å; R241-R288 VanDerWaalsContact NH2-CZ 3.31Å; L278-R288 HydrophobicContact CD1-CG 4.45Å; E284-R288 WeakPolarHBondContact O-CB 3.37Å; E284-R288 VanDerWaalsContact O-CG 3.3Å; E284-R288 WeakPolarHBondContact O-CG 3.48Å; E284-R288 PolarHBondContact O-N 3.02Å; K286-R288 VanDerWaalsContact C-N 3.35Å; R288-V291 WeakPolarHBondContact O-CG1 3.39Å; R288-V292 WeakPolarHBondContact O-CG2 3.5Å
289L96.8Very high97.4Very high86 Ų8659.5 Ų59.545%0.4530%0.303SS..Hα-helixtrans-73.8-43176.9-176.162.3000111.3M257 T259 A285 K286 A287M257-L289 HydrophobicContact CE-CD1 4.21Å; M257-L289 HydrophobicContact CE-CD2 4.24Å; M257-L289 HydrophobicContact CE-CG 4.17Å; T259-L289 HydrophobicContact CG2-CB 4.33Å; T259-L289 HydrophobicContact CG2-CD2 4.21Å; T259-L289 HydrophobicContact CG2-CG 4.38Å; A285-L289 PolarHBondContact O-N 3.18Å; A285-L289 VanDerWaalsContact O-N 3.08Å; K286-L289 PolarHBondContact O-N 3.27Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.32Å
290G97.3Very high97.4Very high0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-68.2-34.6-177.300000113.8K286 A287 V292 C294K286-G290 PolarHBondContact O-N 2.87Å; A287-G290 PolarHBondContact O-N 3Å; G290-V292 VanDerWaalsContact C-N 3.3Å; G290-V292 PolarHBondContact O-N 2.92Å; G290-C294 PolarHBondContact O-SG 3.39Å
291V98.3Very high97.4Very high6 Ų660.9 Ų60.94%0.03631%0.305CS..Hα-helixtrans-66.8-30-178.374.40000113Y245 F263 L278 A287 R288 E293 C294 A295 L300Y245-V291 HydrophobicContact CD1-CG2 3.88Å; Y245-V291 HydrophobicContact CD2-CG2 3.8Å; Y245-V291 HydrophobicContact CE1-CG2 3.71Å; Y245-V291 HydrophobicContact CE2-CG2 3.64Å; Y245-V291 HydrophobicContact CG-CG2 3.92Å; F263-V291 HydrophobicContact CE1-CB 3.84Å; F263-V291 HydrophobicContact CE1-CG2 4.14Å; F263-V291 HydrophobicContact CZ-CB 3.87Å; F263-V291 HydrophobicContact CZ-CG2 4.14Å; L278-V291 HydrophobicContact CD1-CG1 4.07Å; L278-V291 HydrophobicContact CD2-CB 4.13Å; L278-V291 HydrophobicContact CD2-CG1 4.45Å; L278-V291 HydrophobicContact CD2-CG2 4.16Å; A287-V291 WeakPolarHBondContact O-CB 3.46Å; A287-V291 PolarHBondContact O-N 3.05Å; R288-V291 WeakPolarHBondContact O-CG1 3.39Å; V291-E293 PolarHBondContact O-N 2.86Å; V291-C294 PolarHBondContact O-N 2.86Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 2.86Å; V291-L300 HydrophobicContact CG2-CD1 3.88Å
292V97.9Very high97.4Very high96 Ų9663.1 Ų63.158%0.58232%0.321SS*.Hα-helixtrans-60.2-49.3-175.3173.50000111.7R288 G290 K296R288-V292 WeakPolarHBondContact O-CG2 3.5Å; G290-V292 VanDerWaalsContact C-N 3.3Å; G290-V292 PolarHBondContact O-N 2.92Å; V292-K296 WeakPolarHBondContact O-CB 3.41Å; V292-K296 PolarHBondContact O-N 3.5Å
293E98.3Very high97.6Very high19 Ų1955.3 Ų55.39%0.08928%0.284CS..Hα-helixtrans-67.7-40.3178.9-170-177.1-174.600111.1L255 K256 M257 S260 V291 K296 H297L255-E293 HydrophobicContact CD2-CB 4.19Å; L255-E293 HydrophobicContact CD2-CG 3.63Å; K256-E293 WeakPolarHBondContact CB-OE1 3.28Å; K256-E293 PolarHBondContact N-OE1 3.09Å; M257-E293 VanDerWaalsContact CB-OE2 3.31Å; M257-E293 WeakPolarHBondContact CB-OE2 3.49Å; M257-E293 WeakPolarHBondContact CG-OE2 3.23Å; M257-E293 PolarHBondContact N-OE2 3.13Å; M257-E293 VanDerWaalsContact N-OE2 3.16Å; S260-E293 WeakPolarHBondContact CB-OE2 3.47Å; S260-E293 WeakPolarHBondContact OG-CB 3.4Å; S260-E293 PolarHBondContact OG-OE2 2.81Å; V291-E293 PolarHBondContact O-N 2.86Å; E293-K296 PolarHBondContact O-N 2.67Å; E293-H297 PolarHBondContact O-CD2 3.46Å; E293-H297 VanDerWaalsContact O-CD2 3.3Å; E293-H297 PolarHBondContact O-N 3.4Å; E293-H297 VanDerWaalsContact O-N 3.09Å
294C98.5Very high97.7Very high0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-64-46.1-179.2-59.40000111.9G290 V291 H297 E298 L299 L300G290-C294 PolarHBondContact O-SG 3.39Å; V291-C294 PolarHBondContact O-N 2.86Å; C294-H297 CarbonylContact O-C 3.08Å; C294-H297 PolarHBondContact O-N 3.44Å; C294-E298 PolarHBondContact O-N 3.29Å; C294-L299 HydrophobicContact CB-CB 4.37Å; C294-L299 WeakPolarHBondContact O-CB 3.3Å; C294-L299 PolarHBondContact O-N 2.89Å; C294-L300 HydrophobicContact CB-CB 4.46Å; C294-L300 HydrophobicContact CB-CD1 3.64Å; C294-L300 HydrophobicContact CB-CG 3.84Å; C294-L300 PolarHBondContact O-N 3.19Å
295A97.9Very high97.8Very high32 Ų3252.3 Ų52.326%0.26427%0.272SS..Hα-helixtrans-67.6-40.417700000111.8Y245 V291 H297 E298Y245-A295 HydrophobicContact CE1-CB 4.08Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 2.86Å; A295-H297 PolarHBondContact O-N 2.72Å; A295-E298 PolarHBondContact O-N 3.16Å
296K98Very high97.9Very high161 Ų16150.5 Ų50.570%0.725%0.252SS*.Hα-helixtrans-59.1-34.7176.9-179.9179.9178.7-177.50112.9V292 E293V292-K296 WeakPolarHBondContact O-CB 3.41Å; V292-K296 PolarHBondContact O-N 3.5Å; E293-K296 PolarHBondContact O-N 2.67Å
297H98.1Very high98Very high57 Ų5746.3 Ų46.326%0.26424%0.235SC..THydrogen-bonded Turntrans-98.820.7178.6-69.8-67.7000113Y253 E293 C294 A295 L299Y253-H297 HydrophobicContact CD1-CB 3.87Å; Y253-H297 AromaticContact CD1-CD2 3.9Å; Y253-H297 AromaticContact CD1-CG 3.71Å; Y253-H297 HydrophobicContact CD2-CB 4.33Å; Y253-H297 AromaticContact CD2-ND1 3.88Å; Y253-H297 HydrophobicContact CE1-CB 4.36Å; Y253-H297 AromaticContact CE1-CD2 3.53Å; Y253-H297 AromaticContact CE1-CE1 3.97Å; Y253-H297 AromaticContact CE1-CG 3.69Å; Y253-H297 AromaticContact CE1-ND1 3.96Å; Y253-H297 AromaticContact CE1-NE2 3.74Å; Y253-H297 AromaticContact CE2-CE1 3.79Å; Y253-H297 AromaticContact CE2-ND1 3.59Å; Y253-H297 HydrophobicContact CG-CB 3.86Å; Y253-H297 AromaticContact CG-CG 3.93Å; Y253-H297 AromaticContact CZ-CD2 3.88Å; Y253-H297 AromaticContact CZ-CE1 3.49Å; Y253-H297 VanDerWaalsContact CZ-CE1 3.49Å; Y253-H297 AromaticContact CZ-CG 3.88Å; Y253-H297 AromaticContact CZ-ND1 3.64Å; Y253-H297 AromaticContact CZ-NE2 3.66Å; E293-H297 PolarHBondContact O-CD2 3.46Å; E293-H297 VanDerWaalsContact O-CD2 3.3Å; E293-H297 PolarHBondContact O-N 3.4Å; E293-H297 VanDerWaalsContact O-N 3.09Å; C294-H297 CarbonylContact O-C 3.08Å; C294-H297 PolarHBondContact O-N 3.44Å; A295-H297 PolarHBondContact O-N 2.72Å; H297-L299 PolarHBondContact O-N 3.26Å
298E98.1Very high98Very high116 Ų11646.9 Ų46.954%0.54224%0.237SC..THydrogen-bonded Turntrans59.415.6173.9-52.9-179.316300114.6K251 C294 A295 L300K251-E298 HydrophobicContact CD-CB 4.33Å; K251-E298 HydrophobicContact CG-CB 4.44Å; K251-E298 WeakPolarHBondContact CG-O 3.49Å; K251-E298 IonicContact NZ-OE2 2.73Å; K251-E298 PolarHBondContact NZ-OE2 3.3Å; C294-E298 PolarHBondContact O-N 3.29Å; A295-E298 PolarHBondContact O-N 3.16Å; E298-L300 PolarHBondContact O-N 3.5Å
299L98.4Very high98Very high3 Ų349.6 Ų49.62%0.01625%0.251CS..SBendtrans-71.5-26174.1-61.1-176.5000111.7R247 D248 K251 L255 F264 C294 H297R247-L299 WeakPolarHBondContact CA-O 3.31Å; D248-L299 PolarHBondContact N-O 2.97Å; K251-L299 HydrophobicContact CB-CD2 4.14Å; K251-L299 WeakPolarHBondContact O-CD2 3.41Å; L255-L299 HydrophobicContact CD1-CD1 4.01Å; L255-L299 HydrophobicContact CD2-CD1 3.86Å; L255-L299 HydrophobicContact CG-CD1 3.86Å; F264-L299 HydrophobicContact CD2-CB 4.36Å; F264-L299 HydrophobicContact CD2-CD1 4.3Å; F264-L299 HydrophobicContact CE2-CB 3.76Å; F264-L299 HydrophobicContact CE2-CD1 4.14Å; F264-L299 HydrophobicContact CE2-CG 4.49Å; F264-L299 HydrophobicContact CZ-CB 4.39Å; F264-L299 HydrophobicContact CZ-CD1 4.41Å; C294-L299 HydrophobicContact CB-CB 4.37Å; C294-L299 WeakPolarHBondContact O-CB 3.3Å; C294-L299 PolarHBondContact O-N 2.89Å; H297-L299 PolarHBondContact O-N 3.26Å
300L98.6Very high97.9Very high2 Ų253.9 Ų53.91%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-126.3122.3177.1-64.4-179.3000110.1Y245 K246 R247 F263 F264 V267 F276 V291 C294 E298Y245-L300 HydrophobicContact CD1-CB 4.11Å; K246-L300 CarbonylContact O-C 3.59Å; K246-L300 VanDerWaalsContact O-CA 3.26Å; K246-L300 WeakPolarHBondContact O-CA 3.41Å; R247-L300 HydrophobicContact CB-CD2 3.96Å; F263-L300 HydrophobicContact CE1-CD1 3.63Å; F263-L300 HydrophobicContact CZ-CD1 4.23Å; F264-L300 HydrophobicContact CE2-CD2 4.44Å; V267-L300 HydrophobicContact CG1-CD2 4.29Å; F276-L300 HydrophobicContact CE1-CD2 4.08Å; F276-L300 HydrophobicContact CZ-CD1 4.09Å; F276-L300 HydrophobicContact CZ-CD2 4.14Å; V291-L300 HydrophobicContact CG2-CD1 3.88Å; C294-L300 HydrophobicContact CB-CB 4.46Å; C294-L300 HydrophobicContact CB-CD1 3.64Å; C294-L300 HydrophobicContact CB-CG 3.84Å; C294-L300 PolarHBondContact O-N 3.19Å; E298-L300 PolarHBondContact O-N 3.5Å
301Q98.3Very high97.9Very high87 Ų8756.5 Ų56.541%0.40730%0.296SS..EExtended strand (participates in β ladder)trans-81.1124.8171.5-173.7178.6-0.600110Y245 K246Y245-Q301 CarbonylContact C-O 3.6Å; Y245-Q301 WeakPolarHBondContact CA-O 3.41Å; K246-Q301 PolarHBondContact N-O 2.87Å; K246-Q301 PolarHBondContact O-N 2.91Å
302P98.3Very high97.9Very high63 Ų6358.7 Ų58.741%0.40931%0.305SS..EExtended strand (participates in β ladder)trans-80145.1177.530.7-32.8000112.4T242 Y245T242-P302 HydrophobicContact CG2-CB 3.81Å; Y245-P302 HydrophobicContact CD1-CB 4.14Å; Y245-P302 HydrophobicContact CE1-CB 3.85Å
303F98.3Very high98Very high40 Ų4056 Ų5618%0.17529%0.286CS..EExtended strand (participates in β ladder)trans-10785.1166.3-73-101.6000108.9F74 H86 T242 I244 K246 P275F74-F303 AromaticContact CE2-CD1 3.8Å; F74-F303 HydrophobicContact CE2-CD1 3.8Å; F74-F303 AromaticContact CE2-CE1 3.87Å; F74-F303 HydrophobicContact CE2-CE1 3.87Å; F74-F303 HydrophobicContact CE2-CG 4.3Å; F74-F303 HydrophobicContact CE2-CZ 4.45Å; F74-F303 HydrophobicContact CZ-CD1 4.21Å; H86-F303 HydrophobicContact CB-CB 4.37Å; H86-F303 AromaticContact CE1-CD1 3.89Å; H86-F303 AromaticContact NE2-CD1 3.76Å; T242-F303 WeakPolarHBondContact CG2-O 3.3Å; I244-F303 HydrophobicContact CB-CB 3.94Å; I244-F303 HydrophobicContact CG2-CB 3.88Å; I244-F303 HydrophobicContact CG2-CD2 3.99Å; I244-F303 HydrophobicContact CG2-CG 4.03Å; I244-F303 PolarHBondContact O-N 2.5Å; K246-F303 HydrophobicContact CB-CE2 3.6Å; K246-F303 HydrophobicContact CB-CZ 4.38Å; P275-F303 HydrophobicContact CB-CE2 4.45Å; P275-F303 HydrophobicContact CG-CE2 4.24Å; P275-F303 HydrophobicContact CG-CZ 4.15Å
304S97.4Very high98Very high34 Ų3455 Ų5524%0.23828%0.282CS..  trans-65.4148.4-174-66.10000113.7H86 T242 L306H86-S304 PolarHBondContact CD2-O 2.78Å; T242-S304 WeakPolarHBondContact OG1-CA 3.2Å; T242-S304 PolarHBondContact OG1-OG 2.85Å; S304-L306 PolarHBondContact O-N 3.3Å
305V97.9Very high98Very high1 Ų155 Ų551%0.00628%0.282CS..  trans-83.6103176.3-171.80000109.8F87 S238 L240F87-V305 HydrophobicContact CB-CG1 4.19Å; F87-V305 HydrophobicContact CD2-CG1 4.15Å; S238-V305 PolarHBondContact N-O 2.74Å; S238-V305 PolarHBondContact OG-O 3.1Å; L240-V305 HydrophobicContact CB-CB 4.35Å; L240-V305 HydrophobicContact CD1-CG1 4.21Å
306L98.2Very high98Very high33 Ų3353.6 Ų53.617%0.17327%0.27CS..EExtended strand (participates in β ladder)trans-91.5151.6-179.2-51.7179.2000112V84 M183 A235 R236 D237 S304V84-L306 HydrophobicContact CB-CB 4.07Å; V84-L306 WeakPolarHBondContact CB-O 3.27Å; V84-L306 HydrophobicContact CG2-CB 4.35Å; V84-L306 PolarHBondContact N-O 2.96Å; M183-L306 HydrophobicContact CE-CD1 4.24Å; A235-L306 HydrophobicContact CB-CB 3.98Å; A235-L306 HydrophobicContact CB-CD1 4.06Å; R236-L306 CarbonylContact O-C 3.53Å; R236-L306 VanDerWaalsContact O-CA 3.31Å; R236-L306 WeakPolarHBondContact O-CA 3.47Å; D237-L306 HydrophobicContact CB-CD2 4.47Å; S304-L306 PolarHBondContact O-N 3.3Å
307H98.2Very high98.1Very high39 Ų3946.6 Ų46.618%0.18124%0.239CC..EExtended strand (participates in β ladder)trans-133.5146.7177.7-75.464.1000111.7N82 C83 R236 S238N82-H307 WeakPolarHBondContact O-CA 3.43Å; C83-H307 WeakPolarHBondContact CB-NE2 3.31Å; R236-H307 PolarHBondContact N-O 3.19Å; R236-H307 PolarHBondContact O-N 3.25Å; S238-H307 WeakPolarHBondContact CB-ND1 3.43Å; S238-H307 PolarHBondContact OG-CE1 3.07Å; S238-H307 PolarHBondContact OG-ND1 2.95Å; S238-H307 VanDerWaalsContact OG-ND1 3.16Å
308E97.9Very high98.1Very high15 Ų1544.7 Ų44.77%0.0723%0.23CC..PPolyproline II helixtrans-85.5171.9159.7-100.9-77.2-16400111.2N82 I180 S229 G233 K234 E312 V314N82-E308 HydrophobicContact CB-CB 4.2Å; N82-E308 PolarHBondContact ND2-O 3.04Å; N82-E308 PolarHBondContact O-N 3.06Å; I180-E308 HydrophobicContact CD1-CG 4.16Å; S229-E308 VanDerWaalsContact OG-CD 3.23Å; S229-E308 WeakPolarHBondContact OG-CG 3.32Å; S229-E308 PolarHBondContact OG-OE1 3.29Å; G233-E308 VanDerWaalsContact CA-OE1 3.3Å; G233-E308 WeakPolarHBondContact CA-OE1 3.33Å; G233-E308 PolarHBondContact N-OE1 3.15Å; K234-E308 PolarHBondContact N-OE1 3.3Å; E308-E312 HydrophobicContact CB-CB 4.28Å; E308-V314 HydrophobicContact CB-CG2 3.92Å; E308-V314 HydrophobicContact CG-CG2 3.83Å
309K97Very high98.2Very high151 Ų15139.5 Ų39.566%0.65721%0.206SC*.PPolyproline II helixtrans-54.8143.1176-171.6-179.3176.7-174.80110.9N82 G311 E312N82-K309 WeakPolarHBondContact CB-O 3.48Å; K309-G311 PolarHBondContact O-N 2.84Å; K309-E312 HydrophobicContact CB-CG 4.06Å; K309-E312 WeakPolarHBondContact O-CB 3.33Å; K309-E312 PolarHBondContact O-N 2.89Å; K309-E312 VanDerWaalsContact O-N 3.1Å
310E95.9Very high98.2Very high177 Ų17739.4 Ų39.483%0.82721%0.205SC*.THydrogen-bonded Turntrans-56.3135.8174.9-171.6176.2-175.300111E312E310-E312 VanDerWaalsContact C-N 3.34Å
311G96.6Very high98.2Very high55 Ų5539.3 Ų39.357%0.56721%0.205SC*.THydrogen-bonded Turntrans91.4-15.4-17500000114.8K309K309-G311 PolarHBondContact O-N 2.84Å
312E98.5Very high98.2Very high51 Ų5135.2 Ų35.224%0.23819%0.185CC..  trans-82.2164.6173.5-59.4-59.9156.200112.1N82 T230 G231 E308 K309 E310N82-E312 WeakPolarHBondContact CA-O 3.3Å; N82-E312 VanDerWaalsContact CB-O 3.32Å; N82-E312 WeakPolarHBondContact CB-O 3.35Å; N82-E312 PolarHBondContact N-O 3.39Å; T230-E312 VanDerWaalsContact CB-OE2 3.24Å; T230-E312 WeakPolarHBondContact CB-OE2 3.4Å; T230-E312 PolarHBondContact OG1-OE2 3.31Å; G231-E312 WeakPolarHBondContact CA-OE2 3.14Å; G231-E312 PolarHBondContact N-OE2 3.41Å; G231-E312 VanDerWaalsContact N-OE2 3.17Å; E308-E312 HydrophobicContact CB-CB 4.28Å; K309-E312 HydrophobicContact CB-CG 4.06Å; K309-E312 WeakPolarHBondContact O-CB 3.33Å; K309-E312 PolarHBondContact O-N 2.89Å; K309-E312 VanDerWaalsContact O-N 3.1Å; E310-E312 VanDerWaalsContact C-N 3.34Å
313F98.8Very high98.2Very high39 Ų3932.2 Ų32.217%0.17117%0.166CC..  trans-126.9135.9179.5-57.9-70000110N81 L103 R136 K137 V140 S229 T230N81-F313 HydrophobicContact CB-CD1 4.14Å; N81-F313 HydrophobicContact CB-CE1 4.26Å; L103-F313 HydrophobicContact CB-CD1 4.42Å; L103-F313 HydrophobicContact CD1-CB 3.97Å; R136-F313 HydrophobicContact CB-CD2 4.29Å; K137-F313 HydrophobicContact CD-CD1 4.41Å; K137-F313 HydrophobicContact CD-CE1 4.22Å; K137-F313 HydrophobicContact CD-CZ 4.33Å; K137-F313 HydrophobicContact CG-CD1 3.97Å; K137-F313 HydrophobicContact CG-CD2 3.86Å; K137-F313 HydrophobicContact CG-CE1 4.14Å; K137-F313 HydrophobicContact CG-CE2 4Å; K137-F313 HydrophobicContact CG-CG 3.85Å; K137-F313 HydrophobicContact CG-CZ 4.16Å; V140-F313 HydrophobicContact CG1-CB 4.09Å; S229-F313 WeakPolarHBondContact CA-O 3.35Å; T230-F313 HydrophobicContact CG2-CB 4.01Å; T230-F313 HydrophobicContact CG2-CD2 4.35Å; T230-F313 PolarHBondContact N-O 2.94Å; T230-F313 PolarHBondContact OG1-N 3.32Å; T230-F313 PolarHBondContact OG1-O 3.16Å
314V98.9Very high98.1Very high0 Ų032.2 Ų32.20%017%0.167CC..EExtended strand (participates in β ladder)trans-118.6123.7175.5-177.50000109N81 V84 L103 K105 I180 L227 V228 E308N81-V314 PolarHBondContact O-N 3.43Å; N81-V314 VanDerWaalsContact O-N 3.07Å; V84-V314 HydrophobicContact CG1-CG1 4.4Å; V84-V314 HydrophobicContact CG2-CG2 4.11Å; L103-V314 WeakPolarHBondContact CD2-O 3.45Å; K105-V314 HydrophobicContact CD-CG1 4.44Å; K105-V314 VanDerWaalsContact CD-O 3.27Å; K105-V314 WeakPolarHBondContact CD-O 3.29Å; K105-V314 WeakPolarHBondContact CE-O 3.36Å; K105-V314 PolarHBondContact NZ-O 3.36Å; I180-V314 HydrophobicContact CD1-CG1 4.42Å; I180-V314 HydrophobicContact CD1-CG2 4.42Å; I180-V314 HydrophobicContact CG1-CG1 4.42Å; L227-V314 HydrophobicContact CD2-CG1 4.21Å; V228-V314 CarbonylContact O-C 3.54Å; V228-V314 VanDerWaalsContact O-CA 3.29Å; V228-V314 WeakPolarHBondContact O-CA 3.2Å; E308-V314 HydrophobicContact CB-CG2 3.92Å; E308-V314 HydrophobicContact CG-CG2 3.83Å
315A98.9Very high97.8Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-103.6144.7173.100000111L103 S122 V140 I141 A144 L227 V228L103-A315 HydrophobicContact CD1-CB 4.49Å; S122-A315 WeakPolarHBondContact OG-CA 3.31Å; V140-A315 HydrophobicContact CG1-CB 4.1Å; V140-A315 HydrophobicContact CG2-CB 4.15Å; I141-A315 HydrophobicContact CG1-CB 3.97Å; A144-A315 HydrophobicContact CB-CB 3.78Å; L227-A315 WeakPolarHBondContact CA-O 3.45Å; V228-A315 PolarHBondContact N-O 2.88Å; V228-A315 PolarHBondContact O-N 2.82Å
316Q98.9Very high97.4Very high2 Ų239.4 Ų39.41%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-130.7134.8-178.6-169.2-177.914.900111.6K105 D107 A120 H121 S122 D225 V226 L227K105-Q316 HydrophobicContact CB-CB 4.36Å; K105-Q316 HydrophobicContact CD-CB 3.65Å; K105-Q316 HydrophobicContact CG-CB 3.8Å; D107-Q316 PolarHBondContact OD2-NE2 3.25Å; A120-Q316 HydrophobicContact CB-CG 3.99Å; H121-Q316 CarbonylContact C-O 3.57Å; S122-Q316 PolarHBondContact N-O 3.04Å; S122-Q316 PolarHBondContact OG-N 3.11Å; S122-Q316 PolarHBondContact OG-O 2.9Å; D225-Q316 WeakPolarHBondContact OD1-CG 3.46Å; D225-Q316 PolarHBondContact OD1-NE2 2.93Å; D225-Q316 PolarHBondContact OD2-NE2 2.83Å; V226-Q316 WeakPolarHBondContact O-CA 3.38Å; L227-Q316 HydrophobicContact CD2-CB 3.71Å; L227-Q316 HydrophobicContact CD2-CG 3.57Å; L227-Q316 HydrophobicContact CG-CG 4.03Å
317F98.8Very high96.9Very high14 Ų1438.3 Ų38.36%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-133.8120.7164.2-68.6-87.3000108.8H121 I141 A144 H145 A148 V226 F336H121-F317 AromaticContact CE1-CE1 3.81Å; H121-F317 AromaticContact ND1-CD1 3.86Å; H121-F317 AromaticContact ND1-CE1 3.42Å; H121-F317 WeakPolarHBondContact ND1-CE1 3.18Å; I141-F317 HydrophobicContact CG2-CE2 4.48Å; I141-F317 HydrophobicContact CG2-CZ 4.27Å; A144-F317 HydrophobicContact CB-CD2 3.66Å; A144-F317 HydrophobicContact CB-CE2 3.89Å; H145-F317 HydrophobicContact CB-CD2 4.29Å; H145-F317 HydrophobicContact CB-CE2 3.78Å; H145-F317 HydrophobicContact CB-CZ 3.95Å; A148-F317 HydrophobicContact CB-CB 3.89Å; V226-F317 WeakPolarHBondContact CB-O 3.41Å; V226-F317 PolarHBondContact N-O 3.38Å; V226-F317 PolarHBondContact O-N 2.93Å; F317-F336 HydrophobicContact CE1-CD2 4.06Å; F317-F336 AromaticContact CZ-CD2 3.83Å; F317-F336 HydrophobicContact CZ-CD2 3.83Å; F317-F336 HydrophobicContact CZ-CE2 4.14Å
318K98.9Very high96.8Very high17 Ų1737.5 Ų37.57%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-123.4136.8175.8-178.8-171.6-64.4174.50110.4D107 N118 V119 A120 V224 D225D107-K318 VanDerWaalsContact CG-NZ 3.27Å; D107-K318 IonicContact OD1-NZ 3.75Å; D107-K318 PolarHBondContact OD1-NZ 3.47Å; D107-K318 VanDerWaalsContact OD1-NZ 3.11Å; D107-K318 IonicContact OD2-NZ 3.18Å; D107-K318 PolarHBondContact OD2-NZ 3.41Å; N118-K318 HydrophobicContact CB-CD 3.71Å; N118-K318 HydrophobicContact CB-CG 4.35Å; V119-K318 WeakPolarHBondContact CA-O 3.34Å; A120-K318 HydrophobicContact CB-CB 3.48Å; A120-K318 VanDerWaalsContact CB-CB 3.48Å; A120-K318 HydrophobicContact CB-CD 4.49Å; A120-K318 PolarHBondContact N-O 2.68Å; A120-K318 PolarHBondContact O-N 2.8Å; V224-K318 CarbonylContact O-C 3.57Å; V224-K318 WeakPolarHBondContact O-CA 3.15Å; V224-K318 WeakPolarHBondContact O-CG 3.45Å; D225-K318 HydrophobicContact CB-CB 4.37Å; D225-K318 HydrophobicContact CB-CD 4.39Å; D225-K318 HydrophobicContact CB-CG 4.08Å; D225-K318 VanDerWaalsContact OD1-CE 3.31Å; D225-K318 WeakPolarHBondContact OD1-CE 3.5Å; D225-K318 WeakPolarHBondContact OD2-CE 3.07Å; D225-K318 IonicContact OD2-NZ 3.64Å; D225-K318 PolarHBondContact OD2-NZ 2.7Å
319F98.8Very high96.7Very high7 Ų740.5 Ų40.53%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-147152.3175.762.6-89000111.6A148 A151 L152 V224 V321 R330 T332A148-F319 HydrophobicContact CB-CD1 4.43Å; A148-F319 HydrophobicContact CB-CE1 3.92Å; A151-F319 HydrophobicContact CB-CZ 4.35Å; L152-F319 HydrophobicContact CB-CE2 4.42Å; L152-F319 HydrophobicContact CB-CZ 4.1Å; L152-F319 HydrophobicContact CD1-CE2 4.12Å; V224-F319 HydrophobicContact CB-CD1 4.38Å; V224-F319 HydrophobicContact CB-CD2 4.42Å; V224-F319 HydrophobicContact CB-CE1 3.93Å; V224-F319 HydrophobicContact CB-CE2 3.98Å; V224-F319 HydrophobicContact CB-CZ 3.72Å; V224-F319 HydrophobicContact CG1-CE1 3.86Å; V224-F319 HydrophobicContact CG1-CZ 3.82Å; V224-F319 HydrophobicContact CG2-CE2 3.98Å; V224-F319 HydrophobicContact CG2-CZ 4Å; V224-F319 PolarHBondContact N-O 2.64Å; V224-F319 PolarHBondContact O-N 3.13Å; F319-V321 HydrophobicContact CD2-CB 4.24Å; F319-V321 HydrophobicContact CE2-CB 4.09Å; F319-V321 HydrophobicContact CE2-CG1 4.29Å; F319-R330 HydrophobicContact CB-CG 4.11Å; F319-R330 HydrophobicContact CD2-CB 4.48Å; F319-R330 HydrophobicContact CD2-CG 3.83Å; F319-R330 HydrophobicContact CG-CG 4.21Å; F319-T332 WeakPolarHBondContact CA-OG1 3.4Å
320T98.9Very high96.7Very high0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-95.8132.1173-59.40000110N118 L188 V221 Y222 L322 R330 I331 T332N118-T320 PolarHBondContact N-OG1 3.47Å; N118-T320 PolarHBondContact O-N 2.62Å; N118-T320 PolarHBondContact O-OG1 3.4Å; L188-T320 HydrophobicContact CD1-CG2 3.9Å; V221-T320 HydrophobicContact CG1-CG2 3.69Å; Y222-T320 CarbonylContact O-C 3.5Å; Y222-T320 VanDerWaalsContact O-CA 3.31Å; Y222-T320 WeakPolarHBondContact O-CA 3.21Å; T320-L322 HydrophobicContact CG2-CD1 4.34Å; T320-R330 WeakPolarHBondContact O-CA 3.33Å; T320-I331 HydrophobicContact CG2-CD1 3.79Å; T320-I331 HydrophobicContact CG2-CG1 3.92Å; T320-I331 WeakPolarHBondContact O-CG1 3.3Å; T320-I331 PolarHBondContact O-N 3.35Å; T320-T332 PolarHBondContact N-OG1 2.8Å
321V98.6Very high96.8Very high1 Ų129.1 Ų29.11%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-127.3132.7-179.963.90000110.9L152 V155 V221 Y222 V224 F319 L323 P328L152-V321 HydrophobicContact CD1-CG2 4.4Å; V155-V321 HydrophobicContact CG1-CG1 4.33Å; V221-V321 WeakPolarHBondContact CA-O 3.42Å; Y222-V321 PolarHBondContact N-O 3.21Å; Y222-V321 PolarHBondContact O-N 3.04Å; V224-V321 HydrophobicContact CG2-CG1 4.06Å; F319-V321 HydrophobicContact CD2-CB 4.24Å; F319-V321 HydrophobicContact CE2-CB 4.09Å; F319-V321 HydrophobicContact CE2-CG1 4.29Å; V321-L323 HydrophobicContact CG2-CD2 4.26Å; V321-P328 HydrophobicContact CG2-CB 3.56Å
322L98.6Very high96.9Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-98.4125175.3-80.763.9000109.2I10 V16 Y19 V221 T320 M324 P328 H329 I331I10-L322 HydrophobicContact CB-CD2 4.43Å; I10-L322 HydrophobicContact CD1-CB 3.8Å; I10-L322 HydrophobicContact CD1-CD2 4.47Å; I10-L322 HydrophobicContact CD1-CG 4.06Å; I10-L322 HydrophobicContact CG2-CD2 3.83Å; I10-L322 HydrophobicContact CG2-CG 4.07Å; V16-L322 HydrophobicContact CG1-CD2 4.17Å; V16-L322 HydrophobicContact CG2-CD2 4.41Å; Y19-L322 HydrophobicContact CD1-CD1 4.48Å; Y19-L322 HydrophobicContact CG-CD1 4.41Å; Y19-L322 HydrophobicContact CG-CD2 4.47Å; V221-L322 HydrophobicContact CG1-CD1 4.05Å; V221-L322 HydrophobicContact CG1-CG 4.47Å; V221-L322 HydrophobicContact CG2-CG 4.08Å; T320-L322 HydrophobicContact CG2-CD1 4.34Å; L322-M324 VanDerWaalsContact C-N 3.33Å; L322-M324 HydrophobicContact CB-CG 4.34Å; L322-M324 HydrophobicContact CB-SD 4.06Å; L322-M324 HydrophobicContact CD2-SD 4.31Å; L322-M324 PolarHBondContact O-N 3.15Å; L322-M324 VanDerWaalsContact O-N 3.09Å; L322-P328 CarbonylContact O-C 3.51Å; L322-P328 WeakPolarHBondContact O-CA 3.4Å; L322-H329 HydrophobicContact CB-CB 4.42Å; L322-H329 PolarHBondContact N-O 2.84Å; L322-H329 PolarHBondContact O-N 3.22Å; L322-I331 HydrophobicContact CD1-CB 4.39Å; L322-I331 HydrophobicContact CD1-CD1 3.63Å; L322-I331 HydrophobicContact CD1-CG1 3.75Å; L322-I331 HydrophobicContact CD1-CG2 3.76Å; L322-I331 HydrophobicContact CD2-CG2 4.44Å
323L98Very high96.4Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-86.873.3179.3-57.3-165.5000110.9V155 P157 F216 E217 H219 E220 Y222 V321 P328V155-L323 HydrophobicContact CG1-CD1 4.47Å; V155-L323 HydrophobicContact CG1-CD2 4.29Å; V155-L323 WeakPolarHBondContact O-CD2 3.26Å; P157-L323 HydrophobicContact CG-CB 4.24Å; F216-L323 HydrophobicContact CB-CD1 3.88Å; F216-L323 HydrophobicContact CG-CD1 4.47Å; E217-L323 WeakPolarHBondContact O-CB 3.32Å; E217-L323 WeakPolarHBondContact O-CD1 2.94Å; H219-L323 PolarHBondContact N-O 2.84Å; E220-L323 HydrophobicContact CB-CD1 4.28Å; E220-L323 WeakPolarHBondContact O-CB 3.3Å; E220-L323 PolarHBondContact O-N 2.9Å; Y222-L323 HydrophobicContact CD2-CD1 4.04Å; Y222-L323 HydrophobicContact CD2-CG 4.38Å; Y222-L323 HydrophobicContact CE2-CD1 3.95Å; V321-L323 HydrophobicContact CG2-CD2 4.26Å; L323-P328 HydrophobicContact CD2-CB 3.98Å
324M95.6Very high95.8Very high41 Ų4126.5 Ų26.520%0.20215%0.146CC..EExtended strand (participates in β ladder)trans-69.3157177-51.7-59.5-63.900111I10 V16 L322 N326 G327 H329I10-M324 HydrophobicContact CB-SD 4.46Å; I10-M324 HydrophobicContact CD1-SD 3.83Å; V16-M324 HydrophobicContact CG2-CE 4.01Å; V16-M324 HydrophobicContact CG2-SD 4.29Å; L322-M324 VanDerWaalsContact C-N 3.33Å; L322-M324 HydrophobicContact CB-CG 4.34Å; L322-M324 HydrophobicContact CB-SD 4.06Å; L322-M324 HydrophobicContact CD2-SD 4.31Å; L322-M324 PolarHBondContact O-N 3.15Å; L322-M324 VanDerWaalsContact O-N 3.09Å; M324-N326 VanDerWaalsContact CB-OD1 3.27Å; M324-N326 WeakPolarHBondContact CB-OD1 3.03Å; M324-N326 PolarHBondContact O-N 3.49Å; M324-G327 WeakPolarHBondContact CB-O 3.5Å; M324-G327 PolarHBondContact N-O 3.32Å; M324-G327 PolarHBondContact O-N 2.82Å; M324-H329 HydrophobicContact CG-CB 4.13Å
325A92.2Very high95.3Very high66 Ų6634 Ų3455%0.54518%0.181SC..THydrogen-bonded Turntrans-56.1-27.7176.400000113.9V218V218-A325 HydrophobicContact CG1-CB 4.1Å
326N88.8Confident95.1Very high119 Ų11935.6 Ų35.664%0.63619%0.188SC*.THydrogen-bonded Turntrans-86.6-2.9177.667.62.7000114.1M324 R362M324-N326 VanDerWaalsContact CB-OD1 3.27Å; M324-N326 WeakPolarHBondContact CB-OD1 3.03Å; M324-N326 PolarHBondContact O-N 3.49Å; N326-R362 WeakPolarHBondContact O-CB 3.26Å
327G89Confident94.9Very high10 Ų1036.8 Ų36.810%0.10320%0.195CC..EExtended strand (participates in β ladder)trans127175.5178.800000113.5M324M324-G327 WeakPolarHBondContact CB-O 3.5Å; M324-G327 PolarHBondContact N-O 3.32Å; M324-G327 PolarHBondContact O-N 2.82Å
328P95.1Very high94.5Very high23 Ų2339.8 Ų39.815%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-64136179.225.1-32.7000111.7K156 V321 L322 L323K156-P328 HydrophobicContact CB-CG 4.41Å; V321-P328 HydrophobicContact CG2-CB 3.56Å; L322-P328 CarbonylContact O-C 3.51Å; L322-P328 WeakPolarHBondContact O-CA 3.4Å; L323-P328 HydrophobicContact CD2-CB 3.98Å
329H96Very high94.3Very high78 Ų7844.7 Ų44.736%0.36124%0.239SC..EExtended strand (participates in β ladder)trans-124102.1177.9-17356.7000110.2K20 L322 M324K20-H329 WeakPolarHBondContact CE-NE2 3.28Å; L322-H329 HydrophobicContact CB-CB 4.42Å; L322-H329 PolarHBondContact N-O 2.84Å; L322-H329 PolarHBondContact O-N 3.22Å; M324-H329 HydrophobicContact CG-CB 4.13Å
330R97.1Very high94.2Very high72 Ų7245.9 Ų45.927%0.27225%0.245SC..EExtended strand (participates in β ladder)trans-70.3126.8174.3-178.7170.575.8-164.53.1109.9E149 L152 F319 T320 T332 N333E149-R330 IonicContact OE1-CZ 2.72Å; E149-R330 IonicContact OE1-NH1 2.67Å; E149-R330 PolarHBondContact OE1-NH1 2.98Å; L152-R330 HydrophobicContact CD1-CB 3.88Å; F319-R330 HydrophobicContact CB-CG 4.11Å; F319-R330 HydrophobicContact CD2-CB 4.48Å; F319-R330 HydrophobicContact CD2-CG 3.83Å; F319-R330 HydrophobicContact CG-CG 4.21Å; T320-R330 WeakPolarHBondContact O-CA 3.33Å; R330-T332 WeakPolarHBondContact CD-O 3.31Å; R330-T332 WeakPolarHBondContact CG-O 3.36Å; R330-N333 PolarHBondContact NE-OD1 3.14Å; R330-N333 PolarHBondContact NH2-OD1 3.24Å
331I98.2Very high94.1Very high17 Ų1746.2 Ų46.29%0.08725%0.247CC..  trans-110.5-14.2-177.557.5156.7000114.1Y19 K20 A117 T320 L322Y19-I331 HydrophobicContact CD1-CD1 4.18Å; Y19-I331 WeakPolarHBondContact O-CD1 3.36Å; K20-I331 HydrophobicContact CG-CG2 4.12Å; A117-I331 HydrophobicContact CB-CD1 4.14Å; T320-I331 HydrophobicContact CG2-CD1 3.79Å; T320-I331 HydrophobicContact CG2-CG1 3.92Å; T320-I331 WeakPolarHBondContact O-CG1 3.3Å; T320-I331 PolarHBondContact O-N 3.35Å; L322-I331 HydrophobicContact CD1-CB 4.39Å; L322-I331 HydrophobicContact CD1-CD1 3.63Å; L322-I331 HydrophobicContact CD1-CG1 3.75Å; L322-I331 HydrophobicContact CD1-CG2 3.76Å; L322-I331 HydrophobicContact CD2-CG2 4.44Å
332T98.1Very high94.1Very high1 Ų152.2 Ų52.21%0.00627%0.272CS..  trans-120.5144.7172.854.50000110.4A26 A117 N118 V119 F319 T320 R330A26-T332 HydrophobicContact CB-CG2 4.19Å; A117-T332 HydrophobicContact CB-CG2 3.98Å; N118-T332 PolarHBondContact O-OG1 3.4Å; V119-T332 HydrophobicContact CB-CG2 4.26Å; F319-T332 WeakPolarHBondContact CA-OG1 3.4Å; T320-T332 PolarHBondContact N-OG1 2.8Å; R330-T332 WeakPolarHBondContact CD-O 3.31Å; R330-T332 WeakPolarHBondContact CG-O 3.36Å
333N87.4Confident94Very high76 Ų7653.2 Ų53.241%0.40628%0.28SS..  trans-149.2137.1-178.6-163.742.2000112.6T27 R330T27-N333 WeakPolarHBondContact CG2-O 3.45Å; T27-N333 PolarHBondContact OG1-N 3.07Å; R330-N333 PolarHBondContact NE-OD1 3.14Å; R330-N333 PolarHBondContact NH2-OD1 3.24Å
334G86.3Confident94Very high12 Ų1262.5 Ų62.512%0.12432%0.323CS..  trans-84153162.300000111.1F336G334-F336 PolarHBondContact O-N 3.23Å
335H89.8Confident94.1Very high157 Ų15763.3 Ų63.373%0.72733%0.326SS*.  trans-84.498.8171.8-17868.7000109.5H121H121-H335 PolarHBondContact CE1-O 3.26Å; H121-H335 VanDerWaalsContact CE1-O 3.26Å; H121-H335 PolarHBondContact NE2-O 2.97Å
336F94.2Very high94.3Very high34 Ų3465 Ų6515%0.14932%0.323CS..  trans-100.2123.4175.2-178.2-103.7000110.4I141 H145 F317 G334 P338 Y341I141-F336 HydrophobicContact CG2-CE2 3.6Å; I141-F336 HydrophobicContact CG2-CZ 4.37Å; H145-F336 HydrophobicContact CB-CE1 4.21Å; H145-F336 HydrophobicContact CB-CE2 4.21Å; H145-F336 HydrophobicContact CB-CZ 4.01Å; H145-F336 AromaticContact CD2-CD1 3.51Å; H145-F336 AromaticContact CD2-CE1 3.29Å; H145-F336 WeakPolarHBondContact CD2-CE1 3.4Å; H145-F336 AromaticContact CD2-CZ 3.97Å; H145-F336 AromaticContact CE1-CD1 3.35Å; H145-F336 WeakPolarHBondContact CE1-CD1 3.43Å; H145-F336 AromaticContact CE1-CE1 3.98Å; H145-F336 AromaticContact CE1-CG 3.72Å; H145-F336 AromaticContact CG-CD1 3.62Å; H145-F336 AromaticContact CG-CE1 3.54Å; H145-F336 AromaticContact CG-CG 3.97Å; H145-F336 AromaticContact CG-CZ 3.85Å; H145-F336 AromaticContact ND1-CD1 3.52Å; H145-F336 AromaticContact ND1-CE1 3.96Å; H145-F336 AromaticContact ND1-CG 3.59Å; H145-F336 AromaticContact NE2-CD1 3.33Å; H145-F336 VanDerWaalsContact NE2-CD1 3.33Å; H145-F336 WeakPolarHBondContact NE2-CD1 3.47Å; H145-F336 AromaticContact NE2-CE1 3.6Å; F317-F336 HydrophobicContact CE1-CD2 4.06Å; F317-F336 AromaticContact CZ-CD2 3.83Å; F317-F336 HydrophobicContact CZ-CD2 3.83Å; F317-F336 HydrophobicContact CZ-CE2 4.14Å; G334-F336 PolarHBondContact O-N 3.23Å; F336-P338 HydrophobicContact CD1-CB 4.49Å; F336-P338 HydrophobicContact CE1-CB 3.81Å; F336-Y341 HydrophobicContact CD2-CD2 4.45Å; F336-Y341 HydrophobicContact CD2-CE2 4.03Å; F336-Y341 AromaticContact CE2-CD2 3.5Å; F336-Y341 HydrophobicContact CE2-CD2 3.5Å; F336-Y341 VanDerWaalsContact CE2-CD2 3.5Å; F336-Y341 AromaticContact CE2-CE2 3.43Å; F336-Y341 HydrophobicContact CE2-CE2 3.43Å; F336-Y341 VanDerWaalsContact CE2-CE2 3.43Å; F336-Y341 AromaticContact CZ-CD2 3.73Å; F336-Y341 HydrophobicContact CZ-CD2 3.73Å; F336-Y341 HydrophobicContact CZ-CE2 4.13Å
337D94.7Very high94.7Very high27 Ų2759.7 Ų59.714%0.14430%0.295CS..  trans-107.8108.7170.6-170.9-19.9000109.6K129 E339 L340 Y341K129-D337 WeakPolarHBondContact CE-OD2 3.34Å; K129-D337 IonicContact NZ-OD1 2.76Å; K129-D337 IonicContact NZ-OD2 2.73Å; K129-D337 PolarHBondContact NZ-OD2 3.3Å; D337-E339 PolarHBondContact O-N 3.28Å; D337-E339 WeakPolarHBondContact OD1-CB 3.33Å; D337-E339 PolarHBondContact OD1-N 3.31Å; D337-L340 HydrophobicContact CB-CD1 3.91Å; D337-L340 HydrophobicContact CB-CG 3.95Å; D337-L340 PolarHBondContact O-N 3.01Å; D337-Y341 WeakPolarHBondContact O-CD2 3.42Å
338P90.7Very high94.8Very high77 Ų7764.9 Ų64.950%0.532%0.316SS..G310 helixtrans-64.8-21.7-178.926.2-33.8000113.4F336 L340 Y341F336-P338 HydrophobicContact CD1-CB 4.49Å; F336-P338 HydrophobicContact CE1-CB 3.81Å; P338-L340 PolarHBondContact O-N 3.38Å; P338-Y341 PolarHBondContact O-N 2.97Å
339E94.2Very high94.7Very high121 Ų12165.7 Ų65.757%0.56532%0.319SS*.G310 helixtrans-69.5-21.6-179.2-63-179.5169.700112.3K129 D337 Y341K129-E339 IonicContact NZ-OE2 2.68Å; K129-E339 PolarHBondContact NZ-OE2 2.9Å; D337-E339 PolarHBondContact O-N 3.28Å; D337-E339 WeakPolarHBondContact OD1-CB 3.33Å; D337-E339 PolarHBondContact OD1-N 3.31Å; E339-Y341 PolarHBondContact O-N 3.26Å
340L96.7Very high94.7Very high31 Ų3166.8 Ų66.816%0.16233%0.333CS..G310 helixtrans-72.5-12.9176.7-60.7178.8000113.2K129 I133 D337 P338K129-L340 HydrophobicContact CG-CD2 3.79Å; I133-L340 PolarHBondContact N-O 2.87Å; D337-L340 HydrophobicContact CB-CD1 3.91Å; D337-L340 HydrophobicContact CB-CG 3.95Å; D337-L340 PolarHBondContact O-N 3.01Å; P338-L340 PolarHBondContact O-N 3.38Å
341Y97.9Very high94.5Very high8 Ų870.5 Ų70.53%0.03135%0.354CS..BIsolated β-bridgetrans-128.7110.4-170.5-52.6-73.8000112.2I124 I133 I141 K142 F336 D337 P338 E339I124-Y341 HydrophobicContact CG1-CE1 4.05Å; I133-Y341 HydrophobicContact CB-CD1 4.02Å; I133-Y341 HydrophobicContact CB-CE1 4.36Å; I133-Y341 HydrophobicContact CG1-CD1 4.43Å; I133-Y341 HydrophobicContact CG1-CE1 4.31Å; I141-Y341 HydrophobicContact CB-CD1 4.36Å; I141-Y341 HydrophobicContact CB-CE1 4.44Å; I141-Y341 HydrophobicContact CD1-CD1 4.09Å; I141-Y341 HydrophobicContact CD1-CE1 3.51Å; I141-Y341 HydrophobicContact CG2-CD1 4.03Å; I141-Y341 HydrophobicContact CG2-CD2 4.02Å; I141-Y341 HydrophobicContact CG2-CE1 3.96Å; I141-Y341 HydrophobicContact CG2-CE2 3.93Å; I141-Y341 HydrophobicContact CG2-CG 4.06Å; K142-Y341 WeakPolarHBondContact CD-O 3.39Å; K142-Y341 PolarHBondContact NZ-O 3.41Å; F336-Y341 HydrophobicContact CD2-CD2 4.45Å; F336-Y341 HydrophobicContact CD2-CE2 4.03Å; F336-Y341 AromaticContact CE2-CD2 3.5Å; F336-Y341 HydrophobicContact CE2-CD2 3.5Å; F336-Y341 VanDerWaalsContact CE2-CD2 3.5Å; F336-Y341 AromaticContact CE2-CE2 3.43Å; F336-Y341 HydrophobicContact CE2-CE2 3.43Å; F336-Y341 VanDerWaalsContact CE2-CE2 3.43Å; F336-Y341 AromaticContact CZ-CD2 3.73Å; F336-Y341 HydrophobicContact CZ-CD2 3.73Å; F336-Y341 HydrophobicContact CZ-CE2 4.13Å; D337-Y341 WeakPolarHBondContact O-CD2 3.42Å; P338-Y341 PolarHBondContact O-N 2.97Å; E339-Y341 PolarHBondContact O-N 3.26Å
342K97.6Very high94.4Very high126 Ų12670.3 Ų70.355%0.54835%0.353SS..  trans-106.2111.3176.4-68.8-178.1-178.41730109.9P132 I133 T134 A138P132-K342 HydrophobicContact CB-CD 4.16Å; P132-K342 HydrophobicContact CB-CG 4.2Å; P132-K342 HydrophobicContact CG-CD 3.67Å; P132-K342 VanDerWaalsContact CG-CE 3.42Å; P132-K342 HydrophobicContact CG-CG 4.27Å; I133-K342 PolarHBondContact O-N 2.98Å; T134-K342 WeakPolarHBondContact CA-O 3.31Å; T134-K342 HydrophobicContact CG2-CB 4.14Å; A138-K342 VanDerWaalsContact CB-O 3.27Å; A138-K342 WeakPolarHBondContact CB-O 3.42Å
343S97.6Very high94.2Very high22 Ų2273.5 Ų73.515%0.15437%0.367CS..  trans-113.6144173.6175.70000108.5D139 H345D139-S343 VanDerWaalsContact OD1-CB 3.28Å; D139-S343 WeakPolarHBondContact OD1-CB 3.49Å; D139-S343 PolarHBondContact OD1-OG 2.96Å; S343-H345 PolarHBondContact OG-N 3.26Å; S343-H345 PolarHBondContact OG-O 3.34Å
344E97.3Very high94.6Very high194 Ų19472.6 Ų72.691%0.90737%0.37SS*.SBendtrans-78.4-7.2171.5-61179.8177.800111.9
345H97.6Very high94.9Very high58 Ų5873.7 Ų73.727%0.26937%0.373SS..  trans-103150.5179.6-58.7-42.1000111.5D139 S174 F175 S343D139-H345 IonicContact OD1-CD2 3.96Å; D139-H345 IonicContact OD2-CD2 2.76Å; S174-H345 WeakPolarHBondContact O-CB 3.45Å; F175-H345 HydrophobicContact CB-CB 4.41Å; F175-H345 HydrophobicContact CD1-CB 3.67Å; F175-H345 HydrophobicContact CE1-CB 4.16Å; F175-H345 WeakPolarHBondContact CE1-O 3.36Å; F175-H345 HydrophobicContact CG-CB 4.16Å; S343-H345 PolarHBondContact OG-N 3.26Å; S343-H345 PolarHBondContact OG-O 3.34Å
346E96.3Very high95Very high101 Ų10167.5 Ų67.547%0.47235%0.345SS..  trans-146.2158.5172.664.8168.9-14700109.4Q348 K353E346-Q348 PolarHBondContact O-N 3.29Å; E346-Q348 PolarHBondContact OE1-NE2 3.18Å; E346-K353 IonicContact OE1-NZ 3.91Å; E346-K353 PolarHBondContact OE1-NZ 3Å
347V96.4Very high94.9Very high8 Ų873.1 Ų73.15%0.04837%0.372CS..  trans-59.7126.8171.51770000108.4L146 I171 F175 L352 K353 L356L146-V347 HydrophobicContact CD1-CG2 3.91Å; I171-V347 HydrophobicContact CG1-CG2 4.26Å; I171-V347 HydrophobicContact CG2-CG2 4.13Å; F175-V347 HydrophobicContact CE2-CG2 3.97Å; V347-L352 HydrophobicContact CG1-CB 3.72Å; V347-L352 HydrophobicContact CG1-CD1 4.42Å; V347-K353 HydrophobicContact CG1-CG 4.47Å; V347-K353 WeakPolarHBondContact O-CE 3.44Å; V347-L356 HydrophobicContact CB-CD1 4.42Å; V347-L356 HydrophobicContact CG1-CD1 4.47Å; V347-L356 HydrophobicContact CG2-CD1 3.94Å
348Q91.2Very high94.6Very high119 Ų11973.6 Ų73.656%0.55638%0.377SS*.  trans-99.2-26.7-178.6-64.2-60.4-25.400113.7E346 P350E346-Q348 PolarHBondContact O-N 3.29Å; E346-Q348 PolarHBondContact OE1-NE2 3.18Å; Q348-P350 WeakPolarHBondContact O-CD 3.29Å
349D93.7Very high94Very high41 Ų4170.9 Ų70.922%0.21936%0.36CS..  trans-61.4120.3-179179.1-68.3000111K170 E351 L352 K353K170-D349 IonicContact NZ-OD2 3.59Å; K170-D349 PolarHBondContact NZ-OD2 2.79Å; D349-E351 VanDerWaalsContact C-N 3.34Å; D349-E351 PolarHBondContact O-N 2.92Å; D349-E351 WeakPolarHBondContact OD1-CB 3.27Å; D349-E351 PolarHBondContact OD1-N 2.75Å; D349-L352 HydrophobicContact CB-CB 4.07Å; D349-L352 HydrophobicContact CB-CD1 3.91Å; D349-L352 HydrophobicContact CB-CG 4.16Å; D349-L352 PolarHBondContact O-N 3.37Å; D349-L352 WeakPolarHBondContact OD1-CG 3.42Å; D349-L352 PolarHBondContact OD1-N 2.84Å; D349-K353 PolarHBondContact O-N 2.96Å
350P94.9Very high92.8Very high100 Ų10066.6 Ų66.665%0.64935%0.345SS*.Hα-helixtrans-62.4-35.8-175.7-25.734.8000114.3Q348 K353 A354Q348-P350 WeakPolarHBondContact O-CD 3.29Å; P350-K353 PolarHBondContact O-N 3.05Å; P350-A354 WeakPolarHBondContact O-CB 3.34Å; P350-A354 PolarHBondContact O-N 3.41Å
351E94.5Very high91.3Very high150 Ų15067.7 Ų67.770%0.70136%0.355SS*.Hα-helixtrans-68.8-41.5179.8-61.8-176.7168.400110.4D349 A354 L355D349-E351 VanDerWaalsContact C-N 3.34Å; D349-E351 PolarHBondContact O-N 2.92Å; D349-E351 WeakPolarHBondContact OD1-CB 3.27Å; D349-E351 PolarHBondContact OD1-N 2.75Å; E351-A354 PolarHBondContact O-N 2.71Å; E351-L355 WeakPolarHBondContact O-CB 3.47Å; E351-L355 PolarHBondContact O-N 2.91Å
352L94.5Very high89.5Confident14 Ų1474 Ų747%0.07338%0.379CS..Hα-helixtrans-68.3-38.7174.8-69.1176.5000112.3A167 K170 I171 V347 D349 A354 L355 L356A167-L352 HydrophobicContact CB-CD2 3.98Å; K170-L352 HydrophobicContact CB-CD1 3.42Å; K170-L352 VanDerWaalsContact CB-CD1 3.42Å; K170-L352 HydrophobicContact CD-CD1 3.78Å; K170-L352 HydrophobicContact CG-CD1 4.28Å; I171-L352 HydrophobicContact CG1-CD1 4.05Å; V347-L352 HydrophobicContact CG1-CB 3.72Å; V347-L352 HydrophobicContact CG1-CD1 4.42Å; D349-L352 HydrophobicContact CB-CB 4.07Å; D349-L352 HydrophobicContact CB-CD1 3.91Å; D349-L352 HydrophobicContact CB-CG 4.16Å; D349-L352 PolarHBondContact O-N 3.37Å; D349-L352 WeakPolarHBondContact OD1-CG 3.42Å; D349-L352 PolarHBondContact OD1-N 2.84Å; L352-A354 VanDerWaalsContact C-N 3.33Å; L352-A354 PolarHBondContact O-N 3.08Å; L352-L355 HydrophobicContact CD2-CD2 4.13Å; L352-L355 PolarHBondContact O-N 3.39Å; L352-L356 WeakPolarHBondContact O-CB 3.31Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.36Å; L352-L356 PolarHBondContact O-N 2.88Å
353K94.7Very high87.4Confident67 Ų6775.5 Ų75.529%0.29139%0.385SS..Hα-helixtrans-56.6-48.8171-78.1-172.5178.8-170.40110.4E346 V347 D349 P350 L355 L356 Q357E346-K353 IonicContact OE1-NZ 3.91Å; E346-K353 PolarHBondContact OE1-NZ 3Å; V347-K353 HydrophobicContact CG1-CG 4.47Å; V347-K353 WeakPolarHBondContact O-CE 3.44Å; D349-K353 PolarHBondContact O-N 2.96Å; P350-K353 PolarHBondContact O-N 3.05Å; K353-L355 PolarHBondContact O-N 3.29Å; K353-L356 PolarHBondContact O-N 2.97Å; K353-Q357 WeakPolarHBondContact O-CB 3.32Å; K353-Q357 VanDerWaalsContact O-CG 3.28Å; K353-Q357 WeakPolarHBondContact O-CG 3.38Å; K353-Q357 PolarHBondContact O-N 3.37Å
354A94.8Very high85.5Confident58 Ų5877.4 Ų77.448%0.47940%0.396SS..Hα-helixtrans-63.1-41.4178.700000112.3P350 E351 L352 Q357 S358P350-A354 WeakPolarHBondContact O-CB 3.34Å; P350-A354 PolarHBondContact O-N 3.41Å; E351-A354 PolarHBondContact O-N 2.71Å; L352-A354 VanDerWaalsContact C-N 3.33Å; L352-A354 PolarHBondContact O-N 3.08Å; A354-Q357 PolarHBondContact O-N 3.23Å; A354-S358 PolarHBondContact O-N 3.18Å
355L94.2Very high83.7Confident35 Ų3571.7 Ų71.718%0.18337%0.37CS..Hα-helixtrans-58.3-52.5174.5178.768.5000110.8A150 R153 L154 E351 L352 K353 Q357 S358A150-L355 HydrophobicContact CB-CD2 4.36Å; R153-L355 HydrophobicContact CB-CD1 3.85Å; R153-L355 HydrophobicContact CB-CG 4.41Å; R153-L355 WeakPolarHBondContact CD-O 3.42Å; R153-L355 PolarHBondContact NE-O 2.93Å; L154-L355 HydrophobicContact CD1-CD2 3.87Å; L154-L355 HydrophobicContact CD2-CD1 4.17Å; L154-L355 HydrophobicContact CD2-CD2 3.95Å; L154-L355 HydrophobicContact CG-CD2 3.86Å; E351-L355 WeakPolarHBondContact O-CB 3.47Å; E351-L355 PolarHBondContact O-N 2.91Å; L352-L355 HydrophobicContact CD2-CD2 4.13Å; L352-L355 PolarHBondContact O-N 3.39Å; K353-L355 PolarHBondContact O-N 3.29Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.24Å; L355-S358 VanDerWaalsContact O-CB 3.26Å; L355-S358 WeakPolarHBondContact O-CB 3.48Å; L355-S358 PolarHBondContact O-N 3.09Å; L355-S358 PolarHBondContact O-OG 2.94Å
356L92.4Very high81.6Confident27 Ų2776.2 Ų76.214%0.14139%0.389CS..Hα-helixtrans-64-35.6-177-69.8166.2000112.4L146 E149 A150 R153 V347 L352 K353 S358L146-L356 HydrophobicContact CB-CD2 4.48Å; L146-L356 HydrophobicContact CD2-CD1 4.24Å; L146-L356 HydrophobicContact CD2-CD2 4.26Å; L146-L356 WeakPolarHBondContact O-CD2 3.27Å; E149-L356 HydrophobicContact CB-CD2 4.13Å; A150-L356 HydrophobicContact CB-CD2 4.13Å; R153-L356 PolarHBondContact NE-O 3.35Å; R153-L356 PolarHBondContact NH2-O 2.52Å; V347-L356 HydrophobicContact CB-CD1 4.42Å; V347-L356 HydrophobicContact CG1-CD1 4.47Å; V347-L356 HydrophobicContact CG2-CD1 3.94Å; L352-L356 WeakPolarHBondContact O-CB 3.31Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.36Å; L352-L356 PolarHBondContact O-N 2.88Å; K353-L356 PolarHBondContact O-N 2.97Å; L356-S358 VanDerWaalsContact C-N 3.31Å
357Q90.4Very high79.6Confident152 Ų15278.5 Ų78.571%0.7140%0.397SS*.Hα-helixtrans-74.3-20.4174.5-69.5175-0.600113.5K353 A354 L355K353-Q357 WeakPolarHBondContact O-CB 3.32Å; K353-Q357 VanDerWaalsContact O-CG 3.28Å; K353-Q357 WeakPolarHBondContact O-CG 3.38Å; K353-Q357 PolarHBondContact O-N 3.37Å; A354-Q357 PolarHBondContact O-N 3.23Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.24Å
358S88.4Confident77.8Confident37 Ų3784.1 Ų84.126%0.25942%0.421SS..SBendtrans-66152.9176.483.80000111.1R153 A354 L355 L356R153-S358 PolarHBondContact NE-O 3.2Å; R153-S358 PolarHBondContact NH2-O 2.98Å; A354-S358 PolarHBondContact O-N 3.18Å; L355-S358 VanDerWaalsContact O-CB 3.26Å; L355-S358 WeakPolarHBondContact O-CB 3.48Å; L355-S358 PolarHBondContact O-N 3.09Å; L355-S358 PolarHBondContact O-OG 2.94Å; L356-S358 VanDerWaalsContact C-N 3.31Å
359S78.6Confident76.3Confident20 Ų2086.5 Ų86.514%0.1443%0.429CS..  trans-73.8135176.1162.30000110.7S361 T364 Q365S359-S361 VanDerWaalsContact C-N 3.32Å; S359-S361 PolarHBondContact O-N 2.82Å; S359-S361 PolarHBondContact OG-N 3.21Å; S359-S361 PolarHBondContact OG-O 3.42Å; S359-S361 VanDerWaalsContact OG-O 3.13Å; S359-T364 WeakPolarHBondContact OG-CB 3.45Å; S359-T364 WeakPolarHBondContact OG-CG2 3.2Å; S359-Q365 VanDerWaalsContact O-CG 3.26Å; S359-Q365 WeakPolarHBondContact O-CG 3.33Å; S359-Q365 PolarHBondContact O-NE2 3.44Å
360A70.1Confident74.4Confident30 Ų3091.6 Ų91.625%0.24845%0.449CS..SBendtrans-63.7-32.5172.500000113.8L152 R153L152-A360 HydrophobicContact CD2-CB 3.79Å; L152-A360 HydrophobicContact CG-CB 3.92Å; R153-A360 HydrophobicContact CG-CB 4.33Å
361S64.4Low72.6Confident54 Ų5494.3 Ų94.338%0.37845%0.451SS..SBendtrans-88131.3179.8178.60000113.4S359 K363 T364 Q365S359-S361 VanDerWaalsContact C-N 3.32Å; S359-S361 PolarHBondContact O-N 2.82Å; S359-S361 PolarHBondContact OG-N 3.21Å; S359-S361 PolarHBondContact OG-O 3.42Å; S359-S361 VanDerWaalsContact OG-O 3.13Å; S361-K363 VanDerWaalsContact C-N 3.31Å; S361-K363 PolarHBondContact O-N 3.45Å; S361-K363 PolarHBondContact OG-N 3.38Å; S361-T364 PolarHBondContact O-N 2.86Å; S361-Q365 WeakPolarHBondContact O-CG 3.49Å; S361-Q365 PolarHBondContact O-N 3.28Å
362R59.3Low71.3Confident141 Ų14190 Ų9053%0.53244%0.441SS..Hα-helixtrans-61-34176-146.6176-169.31795.1113N326 Q365 K366N326-R362 WeakPolarHBondContact O-CB 3.26Å; R362-Q365 PolarHBondContact O-N 3.06Å; R362-K366 WeakPolarHBondContact O-CB 3.33Å; R362-K366 WeakPolarHBondContact O-CG 3.07Å; R362-K366 PolarHBondContact O-N 3.31Å
363K53.6Low69.5Low157 Ų15792 Ų9268%0.68346%0.456SS*.Hα-helixtrans-66.6-40.6177-169.2175.2-176.4176.30111.2S361 K367S361-K363 VanDerWaalsContact C-N 3.31Å; S361-K363 PolarHBondContact O-N 3.45Å; S361-K363 PolarHBondContact OG-N 3.38Å; K363-K367 PolarHBondContact O-N 3.26Å; K363-K367 VanDerWaalsContact O-N 3.07Å
364T58.3Low67.7Low63 Ų6394.8 Ų94.839%0.38747%0.468SS..Hα-helixtrans-75.1-35.3177.4-53.10000111.4S359 S361 K367 K368S359-T364 WeakPolarHBondContact OG-CB 3.45Å; S359-T364 WeakPolarHBondContact OG-CG2 3.2Å; S361-T364 PolarHBondContact O-N 2.86Å; T364-K367 PolarHBondContact O-N 2.87Å; T364-K368 WeakPolarHBondContact O-CB 3.47Å; T364-K368 PolarHBondContact O-N 2.65Å
365Q58.4Low66.2Low74 Ų7496.2 Ų96.235%0.34647%0.471SS..Hα-helixtrans-61.3-47.4169.7-71.8178.8-7.400112S359 S361 R362 K367 K368 K369S359-Q365 VanDerWaalsContact O-CG 3.26Å; S359-Q365 WeakPolarHBondContact O-CG 3.33Å; S359-Q365 PolarHBondContact O-NE2 3.44Å; S361-Q365 WeakPolarHBondContact O-CG 3.49Å; S361-Q365 PolarHBondContact O-N 3.28Å; R362-Q365 PolarHBondContact O-N 3.06Å; Q365-K367 VanDerWaalsContact C-N 3.35Å; Q365-K367 PolarHBondContact O-N 3.47Å; Q365-K368 PolarHBondContact O-N 2.93Å; Q365-K369 WeakPolarHBondContact O-CB 3.38Å; Q365-K369 PolarHBondContact O-N 3.43Å
366K55.2Low64.5Low153 Ų15397.3 Ų97.367%0.66549%0.485SS*.Hα-helixtrans-60.6-41175.7-78-174.6178.3-176.20112R362 K370R362-K366 WeakPolarHBondContact O-CB 3.33Å; R362-K366 WeakPolarHBondContact O-CG 3.07Å; R362-K366 PolarHBondContact O-N 3.31Å; K366-K370 VanDerWaalsContact O-CB 3.3Å; K366-K370 WeakPolarHBondContact O-CB 3.41Å; K366-K370 PolarHBondContact O-N 3.03Å
367K54.4Low62.7Low148 Ų148101.7 Ų101.764%0.64351%0.505SS*.Hα-helixtrans-63.6-44.4173.7-78.5-174.5176-173.20112.4K363 T364 Q365 K370 K371K363-K367 PolarHBondContact O-N 3.26Å; K363-K367 VanDerWaalsContact O-N 3.07Å; T364-K367 PolarHBondContact O-N 2.87Å; Q365-K367 VanDerWaalsContact C-N 3.35Å; Q365-K367 PolarHBondContact O-N 3.47Å; K367-K370 PolarHBondContact O-N 3.01Å; K367-K371 WeakPolarHBondContact O-CB 3.42Å; K367-K371 PolarHBondContact O-N 2.87Å
368K58.2Low61Low126 Ų126100 Ų10055%0.54850%0.501SS..Hα-helixtrans-64.9-43.1176.4-79-171.1175.8-1730111.9T364 Q365 K371 A372T364-K368 WeakPolarHBondContact O-CB 3.47Å; T364-K368 PolarHBondContact O-N 2.65Å; Q365-K368 PolarHBondContact O-N 2.93Å; K368-K371 PolarHBondContact O-N 3.43Å; K368-A372 WeakPolarHBondContact O-CB 3.21Å; K368-A372 PolarHBondContact O-N 3.35Å
369K59.7Low59.3Low170 Ų170100.9 Ų100.974%0.73951%0.51SS*.Hα-helixtrans-64.4-41.2177.1-164.8173.3-177.8177.10111.9Q365 K371 A372 S373Q365-K369 WeakPolarHBondContact O-CB 3.38Å; Q365-K369 PolarHBondContact O-N 3.43Å; K369-K371 VanDerWaalsContact C-N 3.35Å; K369-A372 PolarHBondContact O-N 3.31Å; K369-S373 PolarHBondContact O-N 3.47Å
370K52.8Low57.9Low148 Ų148104.3 Ų104.364%0.64353%0.53SS*.Hα-helixtrans-66.7-33.5173.7-167.7173-175.9174.20112.6K366 K367 K374K366-K370 VanDerWaalsContact O-CB 3.3Å; K366-K370 WeakPolarHBondContact O-CB 3.41Å; K366-K370 PolarHBondContact O-N 3.03Å; K367-K370 PolarHBondContact O-N 3.01Å; K370-K374 WeakPolarHBondContact O-CG 3.5Å; K370-K374 PolarHBondContact O-N 3Å
371K58.6Low56.8Low157 Ų157104.5 Ų104.568%0.68354%0.535SS*.Hα-helixtrans-70.4-44.9174-166.3178.2-179.1-176.70111.2K367 K368 K369 K374 T375K367-K371 WeakPolarHBondContact O-CB 3.42Å; K367-K371 PolarHBondContact O-N 2.87Å; K368-K371 PolarHBondContact O-N 3.43Å; K369-K371 VanDerWaalsContact C-N 3.35Å; K371-K374 PolarHBondContact O-N 3.47Å; K371-T375 PolarHBondContact O-N 2.79Å; K371-T375 PolarHBondContact O-OG1 2.66Å
372A65.4Low55.8Low60 Ų60109 Ų10950%0.49655%0.551SS.*Hα-helixtrans-65-38.5178.400000113K368 K369 T375 A376K368-A372 WeakPolarHBondContact O-CB 3.21Å; K368-A372 PolarHBondContact O-N 3.35Å; K369-A372 PolarHBondContact O-N 3.31Å; A372-T375 PolarHBondContact O-N 3.29Å; A372-A376 WeakPolarHBondContact O-CB 3.31Å; A372-A376 PolarHBondContact O-N 3.03Å
373S58Low55Low56 Ų56109.2 Ų109.239%0.39256%0.561SS.*Hα-helixtrans-64-40.3173.8135.30000112K369 T375 A376 E377K369-S373 PolarHBondContact O-N 3.47Å; S373-T375 PolarHBondContact O-N 3.37Å; S373-A376 PolarHBondContact O-N 3.09Å; S373-E377 WeakPolarHBondContact O-CB 3.5Å; S373-E377 WeakPolarHBondContact O-CG 3.42Å; S373-E377 PolarHBondContact O-N 3.41Å
374K57.3Low54.4Low124 Ų124106.8 Ų106.854%0.53956%0.56SS.*Hα-helixtrans-65.5-35.8173.6-74.3-174.9173.1-155.80113.4K370 K371 N378K370-K374 WeakPolarHBondContact O-CG 3.5Å; K370-K374 PolarHBondContact O-N 3Å; K371-K374 PolarHBondContact O-N 3.47Å; K374-N378 PolarHBondContact O-N 3.45Å; K374-N378 VanDerWaalsContact O-N 3.13Å
375T63.3Low53.7Low88 Ų88111.8 Ų111.854%0.5458%0.579SS.*Hα-helixtrans-70.8-37.5175.9-430000111.6K371 A372 S373 A379K371-T375 PolarHBondContact O-N 2.79Å; K371-T375 PolarHBondContact O-OG1 2.66Å; A372-T375 PolarHBondContact O-N 3.29Å; S373-T375 PolarHBondContact O-N 3.37Å; T375-A379 PolarHBondContact O-N 3.17Å; T375-A379 VanDerWaalsContact O-N 3.08Å
376A58Low52.8Low58 Ų58115.5 Ų115.548%0.47960%0.601SS.*Hα-helixtrans-67.3-43.2175.500000111.8A372 S373 N378 A379 T380A372-A376 WeakPolarHBondContact O-CB 3.31Å; A372-A376 PolarHBondContact O-N 3.03Å; S373-A376 PolarHBondContact O-N 3.09Å; A376-N378 VanDerWaalsContact C-N 3.35Å; A376-N378 PolarHBondContact O-N 3.08Å; A376-A379 PolarHBondContact O-N 2.76Å; A376-T380 PolarHBondContact O-N 3.16Å; A376-T380 PolarHBondContact O-OG1 3.5Å
377E54.1Low52.3Low119 Ų119114.2 Ų114.256%0.55661%0.606SS**Hα-helixtrans-59.9-41.4174.4-77.8167.9-175.500112.2S373 T380 G381S373-E377 WeakPolarHBondContact O-CB 3.5Å; S373-E377 WeakPolarHBondContact O-CG 3.42Å; S373-E377 PolarHBondContact O-N 3.41Å; E377-T380 WeakPolarHBondContact CA-OG1 3.46Å; E377-T380 PolarHBondContact O-N 2.74Å; E377-T380 PolarHBondContact O-OG1 3.3Å; E377-G381 PolarHBondContact O-N 2.73Å
378N53.9Low51.6Low118 Ų118116.3 Ų116.363%0.63162%0.618SS**Hα-helixtrans-67.8-33.7175.7-79.27.7000113.3K374 A376 G381 Q382K374-N378 PolarHBondContact O-N 3.45Å; K374-N378 VanDerWaalsContact O-N 3.13Å; A376-N378 VanDerWaalsContact C-N 3.35Å; A376-N378 PolarHBondContact O-N 3.08Å; N378-G381 PolarHBondContact O-N 2.85Å; N378-Q382 PolarHBondContact O-N 3.23Å
379A52.8Low50.5Low54 Ų54115.1 Ų115.145%0.44663%0.632SS.*Hα-helixtrans-72.1-34.3175.900000112.2T375 A376T375-A379 PolarHBondContact O-N 3.17Å; T375-A379 VanDerWaalsContact O-N 3.08Å; A376-A379 PolarHBondContact O-N 2.76Å
380T51Low49.7Very low92 Ų92112.9 Ų112.956%0.56464%0.635SS**Hα-helixtrans-73.3-28.2172.237.70000113.5A376 E377A376-T380 PolarHBondContact O-N 3.16Å; A376-T380 PolarHBondContact O-OG1 3.5Å; E377-T380 WeakPolarHBondContact CA-OG1 3.46Å; E377-T380 PolarHBondContact O-N 2.74Å; E377-T380 PolarHBondContact O-OG1 3.3Å
381G46.4Very low48.9Very low34 Ų34118.7 Ų118.735%0.35166%0.664SS.*Hα-helixtrans-73.1-29.7175.500000114.1E377 N378 T384E377-G381 PolarHBondContact O-N 2.73Å; N378-G381 PolarHBondContact O-N 2.85Å; G381-T384 PolarHBondContact O-OG1 3.06Å; G381-T384 VanDerWaalsContact O-OG1 3.09Å
382Q43.2Very low48.4Very low150 Ų150116.8 Ų116.870%0.70166%0.663SS**Hα-helixtrans-77.5-18.6176.3-81.9-179.3-32.600114N378N378-Q382 PolarHBondContact O-N 3.23Å
383L42Very low47.5Very low145 Ų145119.8 Ų119.876%0.75967%0.672SS**THydrogen-bonded Turntrans-85.9-7.5176.9-77.5163000113.4
384T42.4Very low46.9Very low106 Ų106123.3 Ų123.365%0.6569%0.688SS**SBendtrans-104.1-5.4-179.747.60000114.5G381G381-T384 PolarHBondContact O-OG1 3.06Å; G381-T384 VanDerWaalsContact O-OG1 3.09Å
385E42.2Very low46.3Very low167 Ų167123.3 Ų123.378%0.7870%0.696SS**SBendtrans-101.6-5.6-178.4-79.6-175.4159.200115.2
386D41Very low45.2Very low153 Ų153125.5 Ų125.582%0.81871%0.706SS**SBendtrans-104.215.2-176.4-88.7-20.9000115.3
387T43Very low44.4Very low126 Ų126130 Ų13077%0.77372%0.721SS**  trans-12965171.154.70000112.4
388E39.8Very low43.7Very low192 Ų192130.8 Ų130.890%0.89773%0.733SS**  trans-148.190.9152.3-109.8174.9-168.400108.2
389A34.8Very low42.9Very low101 Ų101131.8 Ų131.884%0.83574%0.741SS**  trans-80.8136.5170.500000109.6
390P43.4Very low42.1Very low122 Ų122138.3 Ų138.379%0.79277%0.766SS**  trans-90.4136.417231.3-25.6000112.3
391E35.7Very low41.3Very low271 Ų271142.5 Ų142.5100%1.26678%0.784SS**  trans70.20169.1-65.2-171.6168.200120.3

Retrieved 391 of 391 residues in 1601.3 ms (Link to these results)

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