A0A087XD89_POEFO Loading...

Ubiquitin-associated domain-containing protein 1

AlphaFold DB (A0A3B3UA64), UniProt , Accession A0A087XD89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M36Very low42.1Very low228 Ų228157.2 Ų157.2100%1.12380%0.795SS**  082.10-161.8174.2-168.600106.3
2F34.4Very low45Very low212 Ų212155.3 Ų155.393%0.9378%0.777SS**  trans-96.6108.2176.8-84.2-86.3000106.6Q4F2-Q4 PolarHBondContact O-N 3.09Å
3V34.5Very low48Very low119 Ų119149.5 Ų149.572%0.72176%0.755SS**  trans-82.8109.3173.6-178.20000105.8E5V3-E5 PolarHBondContact O-N 3.07Å; V3-E5 VanDerWaalsContact O-N 3.12Å
4Q36.9Very low50.8Low169 Ų169138.9 Ų138.979%0.7970%0.702SS**  trans-70101.7171.8-86.2172.4-37.100108.9F2 E6F2-Q4 PolarHBondContact O-N 3.09Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 2.98Å; Q4-E6 VanDerWaalsContact O-N 3.11Å
5E39.9Very low53.3Low160 Ų160135.6 Ų135.675%0.74868%0.681SS**  trans-75.278.2167.4-70.2-180153.700109.9V3V3-E5 PolarHBondContact O-N 3.07Å; V3-E5 VanDerWaalsContact O-N 3.12Å
6E40Very low55.7Low169 Ų169127.1 Ų127.179%0.7964%0.638SS**  trans-115.124.7174.6-86-167.4157.200113.6Q4Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 2.98Å; Q4-E6 VanDerWaalsContact O-N 3.11Å
7K41.1Very low57.7Low202 Ų202123.9 Ų123.988%0.87862%0.62SS**  trans-133.848.6-177.8-73.2-168.5176.9-176.70115.1
8I44.7Very low59.6Low125 Ų125117.1 Ų117.164%0.64159%0.586SS**SBendtrans-121.9-8.8-179.6-38.5179.3000114.1
9F45Very low61.1Low206 Ų206112.6 Ų112.690%0.90457%0.567SS**  trans-127.566.7173.4-68.5-82.4000111.4G11F9-G11 VanDerWaalsContact C-N 3.34Å; F9-G11 PolarHBondContact O-N 3.14Å; F9-G11 VanDerWaalsContact O-N 3.1Å
10A49.4Very low62.3Low103 Ų103107.2 Ų107.285%0.85154%0.54SS*.  trans-76.193.6163.700000107.5
11G60.8Low63.1Low36 Ų36107.4 Ų107.437%0.37154%0.54SS..PPolyproline II helixtrans-51.1148.2168.600000110.3F9 V13F9-G11 VanDerWaalsContact C-N 3.34Å; F9-G11 PolarHBondContact O-N 3.14Å; F9-G11 VanDerWaalsContact O-N 3.1Å; G11-V13 PolarHBondContact O-N 2.81Å; G11-V13 VanDerWaalsContact O-N 3.08Å
12K77.3Confident65.1Low134 Ų134102.2 Ų102.258%0.58352%0.517SS*.PPolyproline II helixtrans-58.9118.3-179.5179.2160.1155.5-106.30109.2E32K12-E32 HydrophobicContact CB-CG 4.36Å; K12-E32 VanDerWaalsContact CD-OE1 3.31Å; K12-E32 WeakPolarHBondContact CD-OE1 3.41Å; K12-E32 WeakPolarHBondContact CE-OE1 3.3Å; K12-E32 WeakPolarHBondContact CG-OE1 3.43Å; K12-E32 IonicContact NZ-OE1 2.81Å; K12-E32 PolarHBondContact NZ-OE1 3.21Å; K12-E32 PolarHBondContact O-N 3.44Å
13V84.6Confident67Low80 Ų8094.8 Ų94.849%0.48550%0.5SS..EExtended strand (participates in β ladder)trans-86126.6-179.9-175.30000108.3G11 E29 T31G11-V13 PolarHBondContact O-N 2.81Å; G11-V13 VanDerWaalsContact O-N 3.08Å; V13-E29 HydrophobicContact CG1-CB 4.09Å; V13-T31 HydrophobicContact CG2-CG2 4.25Å
14L87Confident69.3Low2 Ų292.4 Ų92.41%0.0149%0.486CS..EExtended strand (participates in β ladder)trans-105.7139.5176.3-61.7167.8000109.2I16 V30 E32 I78 D85L14-I16 HydrophobicContact CB-CG1 4.37Å; L14-V30 PolarHBondContact N-O 3.18Å; L14-V30 PolarHBondContact O-N 2.97Å; L14-E32 HydrophobicContact CD1-CG 3.66Å; L14-E32 HydrophobicContact CG-CG 4.15Å; L14-I78 HydrophobicContact CD1-CG2 3.58Å; L14-D85 HydrophobicContact CD2-CB 4.16Å
15K88.5Confident71.8Confident89 Ų8991.4 Ų91.439%0.38748%0.482SS..EExtended strand (participates in β ladder)trans-101.1106.5174.4-65.8-177.4174-150.50109.2L27 E29 D85 K86K15-L27 HydrophobicContact CB-CD1 4.1Å; K15-L27 HydrophobicContact CB-CD2 4.09Å; K15-L27 HydrophobicContact CB-CG 4.22Å; K15-L27 HydrophobicContact CD-CD2 4.13Å; K15-L27 HydrophobicContact CG-CD2 4.34Å; K15-E29 WeakPolarHBondContact CE-OE1 3.47Å; K15-E29 HydrophobicContact CG-CG 4.26Å; K15-E29 IonicContact NZ-OE1 2.94Å; K15-E29 PolarHBondContact NZ-OE1 3.03Å; K15-E29 VanDerWaalsContact NZ-OE1 3.13Å; K15-D85 WeakPolarHBondContact CB-OD1 3.42Å; K15-D85 PolarHBondContact N-OD1 3.4Å; K15-K86 WeakPolarHBondContact O-CA 3.21Å; K15-K86 PolarHBondContact O-N 3.21Å
16I90.9Very high74.2Confident0 Ų085 Ų850%045%0.451CS..EExtended strand (participates in β ladder)trans-106.2133.2-174.3-56.8175.4000109.1L14 L27 E28 L39 I78 L83 D87 L89L14-I16 HydrophobicContact CB-CG1 4.37Å; I16-L27 WeakPolarHBondContact O-CA 3.47Å; I16-E28 PolarHBondContact N-O 2.86Å; I16-E28 PolarHBondContact O-N 3.14Å; I16-L39 HydrophobicContact CD1-CD2 4.4Å; I16-I78 HydrophobicContact CD1-CD1 4.31Å; I16-I78 HydrophobicContact CD1-CG2 4.31Å; I16-L83 HydrophobicContact CD1-CD1 4.28Å; I16-D87 WeakPolarHBondContact CG2-O 3.36Å; I16-L89 HydrophobicContact CG2-CB 4.41Å; I16-L89 HydrophobicContact CG2-CD1 3.63Å; I16-L89 HydrophobicContact CG2-CG 3.59Å
17H89.9Confident76.5Confident72 Ų7280.6 Ų80.633%0.33343%0.432SS..EExtended strand (participates in β ladder)trans-84.4123.8173.4-79.6-87.8000109.6L27 D87 V88 L89H17-L27 WeakPolarHBondContact NE2-CD1 3.36Å; H17-D87 PolarHBondContact N-O 3.36Å; H17-V88 HydrophobicContact CB-CB 4.46Å; H17-V88 HydrophobicContact CB-CG2 4.01Å; H17-V88 CarbonylContact O-C 3.52Å; H17-V88 WeakPolarHBondContact O-CA 3.27Å; H17-L89 PolarHBondContact O-N 3.31Å
18I91.1Very high78.7Confident1 Ų172.1 Ų72.11%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-108.8130.1174.4-60.7150.3000108.6E25 W26 E28 L39 C43 L89 L91I18-E25 CarbonylContact O-C 3.54Å; I18-E25 VanDerWaalsContact O-CA 3.23Å; I18-E25 WeakPolarHBondContact O-CA 3.36Å; I18-W26 HydrophobicContact CB-CD2 4.2Å; I18-W26 HydrophobicContact CB-CH2 4.28Å; I18-W26 HydrophobicContact CB-CZ2 3.83Å; I18-W26 HydrophobicContact CD1-CZ2 3.96Å; I18-W26 HydrophobicContact CG2-CH2 3.56Å; I18-W26 HydrophobicContact CG2-CZ2 3.42Å; I18-W26 VanDerWaalsContact CG2-CZ2 3.42Å; I18-W26 HydrophobicContact CG2-CZ3 4.18Å; I18-W26 PolarHBondContact N-O 3.06Å; I18-W26 PolarHBondContact O-N 2.88Å; I18-E28 HydrophobicContact CD1-CB 3.47Å; I18-E28 VanDerWaalsContact CD1-CB 3.47Å; I18-E28 HydrophobicContact CD1-CG 4.1Å; I18-L39 HydrophobicContact CD1-CD1 4.46Å; I18-C43 HydrophobicContact CD1-CB 4.35Å; I18-C43 WeakPolarHBondContact CD1-SG 3.33Å; I18-C43 HydrophobicContact CG2-CB 4.5Å; I18-L89 CarbonylContact C-O 3.54Å; I18-L89 WeakPolarHBondContact CA-O 3.48Å; I18-L91 HydrophobicContact CG2-CB 4.36Å
19C88.4Confident80.8Confident32 Ų3271 Ų7122%0.21639%0.388CS..EExtended strand (participates in β ladder)trans-121.4136.8176.7-1750000109.5L89 L90 L91C19-L89 PolarHBondContact N-O 2.91Å; C19-L90 HydrophobicContact CB-CD2 3.89Å; C19-L90 CarbonylContact O-C 3.48Å; C19-L90 VanDerWaalsContact O-CA 3.28Å; C19-L90 WeakPolarHBondContact O-CA 3.31Å; C19-L91 PolarHBondContact O-N 3.49Å
20T86Confident82.9Confident5 Ų561.3 Ų61.33%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-104161.5177.954.50000110.6D22 G23 T24 W26 H47 L91T20-D22 PolarHBondContact O-N 3.49Å; T20-D22 VanDerWaalsContact O-N 3.16Å; T20-G23 PolarHBondContact O-N 3.44Å; T20-T24 PolarHBondContact N-O 3.38Å; T20-T24 VanDerWaalsContact OG1-CB 3.32Å; T20-T24 WeakPolarHBondContact OG1-CB 3.38Å; T20-T24 PolarHBondContact OG1-N 2.96Å; T20-T24 PolarHBondContact OG1-O 3.32Å; T20-W26 HydrophobicContact CG2-CH2 3.58Å; T20-W26 HydrophobicContact CG2-CZ3 3.51Å; T20-H47 HydrophobicContact CG2-CB 4.37Å; T20-H47 WeakPolarHBondContact CG2-ND1 3.49Å; T20-L91 HydrophobicContact CG2-CB 4.17Å; T20-L91 HydrophobicContact CG2-CD2 4.17Å
21M79Confident84.7Confident112 Ų11258.4 Ų58.455%0.55232%0.317SS*.THydrogen-bonded Turntrans-60.2-22.5175.956.1179.452.400114G23 I92 K93M21-G23 PolarHBondContact O-N 3.45Å; M21-I92 HydrophobicContact CE-CB 4.15Å; M21-I92 HydrophobicContact CE-CG2 3.59Å; M21-K93 HydrophobicContact CE-CB 4.12Å; M21-K93 VanDerWaalsContact CE-N 3.34Å; M21-K93 HydrophobicContact SD-CB 4.43Å
22D77.3Confident85.8Confident118 Ų11859.6 Ų59.663%0.63131%0.313SS*.THydrogen-bonded Turntrans-84.11.4178.1-56.8-39.5000112.9T20 H47T20-D22 PolarHBondContact O-N 3.49Å; T20-D22 VanDerWaalsContact O-N 3.16Å; D22-H47 IonicContact OD2-CE1 3.55Å; D22-H47 PolarHBondContact OD2-CE1 3.03Å; D22-H47 VanDerWaalsContact OD2-CE1 3.31Å; D22-H47 IonicContact OD2-NE2 2.74Å
23G74.8Confident86.2Confident56 Ų5658.7 Ų58.758%0.57732%0.315SS*.SBendtrans85.93178.500000114.8T20 M21 E25T20-G23 PolarHBondContact O-N 3.44Å; M21-G23 PolarHBondContact O-N 3.45Å; G23-E25 PolarHBondContact O-N 2.9Å
24T83.7Confident86.2Confident70 Ų7055.9 Ų55.943%0.42930%0.297SS..  trans-74.3126.6173.6-48.80000109.8T20 W26T20-T24 PolarHBondContact N-O 3.38Å; T20-T24 VanDerWaalsContact OG1-CB 3.32Å; T20-T24 WeakPolarHBondContact OG1-CB 3.38Å; T20-T24 PolarHBondContact OG1-N 2.96Å; T20-T24 PolarHBondContact OG1-O 3.32Å; T24-W26 HydrophobicContact CG2-CE3 4.16Å; T24-W26 HydrophobicContact CG2-CZ3 4.31Å
25E88.4Confident86.4Confident148 Ų14857.6 Ų57.669%0.69231%0.308SS*.EExtended strand (participates in β ladder)trans-121.1141.6175.464.5-179177.800111.8I18 G23I18-E25 CarbonylContact O-C 3.54Å; I18-E25 VanDerWaalsContact O-CA 3.23Å; I18-E25 WeakPolarHBondContact O-CA 3.36Å; G23-E25 PolarHBondContact O-N 2.9Å
26W89.4Confident86.4Confident25 Ų2553.4 Ų53.410%0.09529%0.29CS..EExtended strand (participates in β ladder)trans-149.6168.817267.798.4000111I18 T20 T24 E28 C43 H46 H47I18-W26 HydrophobicContact CB-CD2 4.2Å; I18-W26 HydrophobicContact CB-CH2 4.28Å; I18-W26 HydrophobicContact CB-CZ2 3.83Å; I18-W26 HydrophobicContact CD1-CZ2 3.96Å; I18-W26 HydrophobicContact CG2-CH2 3.56Å; I18-W26 HydrophobicContact CG2-CZ2 3.42Å; I18-W26 VanDerWaalsContact CG2-CZ2 3.42Å; I18-W26 HydrophobicContact CG2-CZ3 4.18Å; I18-W26 PolarHBondContact N-O 3.06Å; I18-W26 PolarHBondContact O-N 2.88Å; T20-W26 HydrophobicContact CG2-CH2 3.58Å; T20-W26 HydrophobicContact CG2-CZ3 3.51Å; T24-W26 HydrophobicContact CG2-CE3 4.16Å; T24-W26 HydrophobicContact CG2-CZ3 4.31Å; W26-E28 PolarHBondContact NE1-OE2 2.81Å; W26-C43 HydrophobicContact CZ2-CB 4.08Å; W26-H46 AromaticContact CD1-CE1 3.95Å; W26-H46 AromaticContact CD1-ND1 3.8Å; W26-H46 AromaticContact CD2-CE1 3.86Å; W26-H46 AromaticContact CD2-ND1 3.35Å; W26-H46 VanDerWaalsContact CD2-ND1 3.35Å; W26-H46 AromaticContact CE2-CG 3.88Å; W26-H46 AromaticContact CE2-ND1 3.52Å; W26-H46 AromaticContact CE3-ND1 3.77Å; W26-H46 AromaticContact CG-CE1 3.62Å; W26-H46 AromaticContact CG-ND1 3.57Å; W26-H46 HydrophobicContact CZ2-CB 4.02Å; W26-H46 AromaticContact NE1-CG 3.82Å; W26-H46 AromaticContact NE1-ND1 3.76Å; W26-H47 HydrophobicContact CH2-CB 4.09Å
27L89.3Confident86.2Confident77 Ų7757.9 Ų57.940%0.40331%0.311SS..EExtended strand (participates in β ladder)trans-106.2126.4178.2-165.980.4000109.6K15 I16 H17K15-L27 HydrophobicContact CB-CD1 4.1Å; K15-L27 HydrophobicContact CB-CD2 4.09Å; K15-L27 HydrophobicContact CB-CG 4.22Å; K15-L27 HydrophobicContact CD-CD2 4.13Å; K15-L27 HydrophobicContact CG-CD2 4.34Å; I16-L27 WeakPolarHBondContact O-CA 3.47Å; H17-L27 WeakPolarHBondContact NE2-CD1 3.36Å
28E87.8Confident86Confident23 Ų2360.4 Ų60.411%0.10732%0.321CS..EExtended strand (participates in β ladder)trans-113.4126.7177.9-165.776.1-158.300110.5I16 I18 W26 V30 L39 R42I16-E28 PolarHBondContact N-O 2.86Å; I16-E28 PolarHBondContact O-N 3.14Å; I18-E28 HydrophobicContact CD1-CB 3.47Å; I18-E28 VanDerWaalsContact CD1-CB 3.47Å; I18-E28 HydrophobicContact CD1-CG 4.1Å; W26-E28 PolarHBondContact NE1-OE2 2.81Å; E28-V30 HydrophobicContact CB-CG2 4.35Å; E28-V30 HydrophobicContact CG-CG2 3.65Å; E28-L39 HydrophobicContact CG-CD1 4.2Å; E28-R42 IonicContact OE1-CZ 3.56Å; E28-R42 IonicContact OE1-NE 3.06Å; E28-R42 PolarHBondContact OE1-NE 2.91Å; E28-R42 IonicContact OE1-NH2 3.14Å; E28-R42 PolarHBondContact OE1-NH2 2.86Å
29E88.5Confident85.9Confident103 Ų10360.4 Ų60.448%0.48132%0.321SS..EExtended strand (participates in β ladder)trans-90.7117.5175.6-61-166.3157.100110.1V13 K15 R42V13-E29 HydrophobicContact CG1-CB 4.09Å; K15-E29 WeakPolarHBondContact CE-OE1 3.47Å; K15-E29 HydrophobicContact CG-CG 4.26Å; K15-E29 IonicContact NZ-OE1 2.94Å; K15-E29 PolarHBondContact NZ-OE1 3.03Å; K15-E29 VanDerWaalsContact NZ-OE1 3.13Å; E29-R42 PolarHBondContact O-NH1 3.41Å; E29-R42 PolarHBondContact O-NH2 3.42Å
30V88.6Confident85.8Confident2 Ų258.9 Ų58.91%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-138145.2-176.1-163.40000111.5L14 E28 T34 L39 I78L14-V30 PolarHBondContact N-O 3.18Å; L14-V30 PolarHBondContact O-N 2.97Å; E28-V30 HydrophobicContact CB-CG2 4.35Å; E28-V30 HydrophobicContact CG-CG2 3.65Å; V30-T34 HydrophobicContact CG1-CG2 3.54Å; V30-T34 WeakPolarHBondContact CG1-OG1 3.35Å; V30-L39 HydrophobicContact CG2-CD1 3.69Å; V30-I78 HydrophobicContact CB-CD1 3.75Å; V30-I78 HydrophobicContact CG1-CD1 3.22Å
31T87.7Confident85.8Confident42 Ų4261.8 Ų61.826%0.25832%0.324SS..EExtended strand (participates in β ladder)trans-86.9152.7177.558.20000111.5V13 D33 T34V13-T31 HydrophobicContact CG2-CG2 4.25Å; T31-D33 WeakPolarHBondContact CB-OD1 3.32Å; T31-D33 PolarHBondContact O-N 3.31Å; T31-D33 VanDerWaalsContact O-N 3.14Å; T31-D33 PolarHBondContact OG1-OD1 3.16Å; T31-T34 WeakPolarHBondContact O-CB 3.32Å; T31-T34 PolarHBondContact O-N 3.1Å; T31-T34 PolarHBondContact O-OG1 3.22Å; T31-T34 PolarHBondContact OG1-OG1 3.46Å
32E83.9Confident86.1Confident60 Ų6061.2 Ų61.228%0.2832%0.315SS..THydrogen-bonded Turntrans-57.4-26.5-178.3-76.8176.9-179.200114.3K12 L14 A79K12-E32 HydrophobicContact CB-CG 4.36Å; K12-E32 VanDerWaalsContact CD-OE1 3.31Å; K12-E32 WeakPolarHBondContact CD-OE1 3.41Å; K12-E32 WeakPolarHBondContact CE-OE1 3.3Å; K12-E32 WeakPolarHBondContact CG-OE1 3.43Å; K12-E32 IonicContact NZ-OE1 2.81Å; K12-E32 PolarHBondContact NZ-OE1 3.21Å; K12-E32 PolarHBondContact O-N 3.44Å; L14-E32 HydrophobicContact CD1-CG 3.66Å; L14-E32 HydrophobicContact CG-CG 4.15Å; E32-A79 HydrophobicContact CB-CB 4.29Å; E32-A79 PolarHBondContact O-N 3Å
33D84.8Confident86.4Confident116 Ų11655.6 Ų55.662%0.6229%0.285SS*.THydrogen-bonded Turntrans-83.5-7178.462.9-48.3000114.5T31T31-D33 WeakPolarHBondContact CB-OD1 3.32Å; T31-D33 PolarHBondContact O-N 3.31Å; T31-D33 VanDerWaalsContact O-N 3.14Å; T31-D33 PolarHBondContact OG1-OD1 3.16Å
34T86.4Confident86.7Confident20 Ų2053 Ų5312%0.12326%0.259CS..SBendtrans-73.2136.8177.7-58.90000110.6V30 T31 K38 I78V30-T34 HydrophobicContact CG1-CG2 3.54Å; V30-T34 WeakPolarHBondContact CG1-OG1 3.35Å; T31-T34 WeakPolarHBondContact O-CB 3.32Å; T31-T34 PolarHBondContact O-N 3.1Å; T31-T34 PolarHBondContact O-OG1 3.22Å; T31-T34 PolarHBondContact OG1-OG1 3.46Å; T34-K38 HydrophobicContact CG2-CB 3.74Å; T34-K38 HydrophobicContact CG2-CD 4.44Å; T34-I78 HydrophobicContact CG2-CD1 4.48Å; T34-I78 WeakPolarHBondContact O-CG1 3.46Å; T34-I78 PolarHBondContact O-N 3.48Å
35T89.9Confident86.5Confident38 Ų3854.9 Ų54.923%0.23326%0.261CS..BIsolated β-bridgetrans-74.1150.3174.857.80000111.7E37 K38 L39 T77T35-E37 PolarHBondContact O-N 2.97Å; T35-K38 PolarHBondContact O-N 2.94Å; T35-K38 VanDerWaalsContact O-N 3.11Å; T35-K38 WeakPolarHBondContact OG1-CG 3.4Å; T35-K38 PolarHBondContact OG1-N 3.22Å; T35-L39 PolarHBondContact O-N 2.64Å; T35-T77 HydrophobicContact CG2-CG2 4.47Å
36V88.7Confident85.7Confident1 Ų152.2 Ų52.21%0.00625%0.248CC..Hα-helixtrans-58.1-33.8174.8173.10000111.1L39 K40 L63 L72 T73 K76 E81V36-L39 PolarHBondContact O-N 2.99Å; V36-K40 VanDerWaalsContact O-CB 3.27Å; V36-K40 WeakPolarHBondContact O-CB 3.4Å; V36-K40 PolarHBondContact O-N 3.21Å; V36-L63 HydrophobicContact CG1-CD1 4.23Å; V36-L72 HydrophobicContact CG1-CB 3.67Å; V36-L72 HydrophobicContact CG1-CD1 4.36Å; V36-L72 HydrophobicContact CG2-CB 4.23Å; V36-T73 WeakPolarHBondContact CB-O 3.49Å; V36-K76 WeakPolarHBondContact CG2-O 3.08Å; V36-K76 PolarHBondContact N-O 3.29Å; V36-E81 HydrophobicContact CG2-CG 4.17Å
37E87.4Confident84.6Confident94 Ų9453.8 Ų53.844%0.43926%0.256SS..Hα-helixtrans-59.5-47.5174.1-172.6174.6-16200112.9T35 K40 E41 D74T35-E37 PolarHBondContact O-N 2.97Å; E37-K40 WeakPolarHBondContact O-CB 3.28Å; E37-K40 PolarHBondContact O-N 3.45Å; E37-E41 PolarHBondContact O-N 2.77Å; E37-D74 HydrophobicContact CB-CB 4.2Å; E37-D74 WeakPolarHBondContact CB-O 3.24Å; E37-D74 PolarHBondContact N-O 2.98Å
38K85.9Confident83.2Confident126 Ų12653.9 Ų53.955%0.54826%0.26SS..Hα-helixtrans-66.1-39.1177.3-75.8179.2179179.20111.9T34 T35 E41 R42T34-K38 HydrophobicContact CG2-CB 3.74Å; T34-K38 HydrophobicContact CG2-CD 4.44Å; T35-K38 PolarHBondContact O-N 2.94Å; T35-K38 VanDerWaalsContact O-N 3.11Å; T35-K38 WeakPolarHBondContact OG1-CG 3.4Å; T35-K38 PolarHBondContact OG1-N 3.22Å; K38-E41 PolarHBondContact O-N 2.78Å; K38-R42 WeakPolarHBondContact O-CG 3.31Å; K38-R42 PolarHBondContact O-N 2.78Å
39L87.9Confident81.3Confident0 Ų061.3 Ų61.30%029%0.294CS..Hα-helixtrans-60.5-47.7172.8170.264.1000110.3I16 I18 E28 V30 T35 V36 E41 R42 C43 L63 I78 L89I16-L39 HydrophobicContact CD1-CD2 4.4Å; I18-L39 HydrophobicContact CD1-CD1 4.46Å; E28-L39 HydrophobicContact CG-CD1 4.2Å; V30-L39 HydrophobicContact CG2-CD1 3.69Å; T35-L39 PolarHBondContact O-N 2.64Å; V36-L39 PolarHBondContact O-N 2.99Å; L39-E41 VanDerWaalsContact C-N 3.33Å; L39-E41 PolarHBondContact O-N 3.01Å; L39-R42 WeakPolarHBondContact O-CB 3.23Å; L39-R42 PolarHBondContact O-N 3.49Å; L39-C43 PolarHBondContact O-N 2.75Å; L39-C43 PolarHBondContact O-SG 2.85Å; L39-L63 HydrophobicContact CD2-CD1 4.13Å; L39-L63 HydrophobicContact CG-CD1 4.02Å; L39-I78 HydrophobicContact CD2-CD1 4.1Å; L39-I78 HydrophobicContact CD2-CG1 4.33Å; L39-L89 HydrophobicContact CD2-CD1 3.64Å
40K87.1Confident79.2Confident0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-60.3-40.5177.3-173.5176.962.4178.40112.2V36 E37 C43 L44 L58 L63 D74 L91V36-K40 VanDerWaalsContact O-CB 3.27Å; V36-K40 WeakPolarHBondContact O-CB 3.4Å; V36-K40 PolarHBondContact O-N 3.21Å; E37-K40 WeakPolarHBondContact O-CB 3.28Å; E37-K40 PolarHBondContact O-N 3.45Å; K40-C43 WeakPolarHBondContact O-CB 3.37Å; K40-C43 PolarHBondContact O-N 2.76Å; K40-L44 HydrophobicContact CG-CD1 4.11Å; K40-L44 WeakPolarHBondContact O-CB 3.49Å; K40-L44 WeakPolarHBondContact O-CG 3.46Å; K40-L44 PolarHBondContact O-N 2.86Å; K40-L58 HydrophobicContact CB-CD2 4.41Å; K40-L58 HydrophobicContact CD-CD2 4.38Å; K40-L58 WeakPolarHBondContact CE-O 3.06Å; K40-L58 HydrophobicContact CG-CD2 4.15Å; K40-L58 PolarHBondContact NZ-O 2.7Å; K40-L63 HydrophobicContact CB-CD1 3.77Å; K40-L63 HydrophobicContact CB-CG 4.34Å; K40-L63 HydrophobicContact CG-CD1 4.33Å; K40-L63 HydrophobicContact CG-CG 4.37Å; K40-D74 WeakPolarHBondContact CE-OD1 3.42Å; K40-D74 IonicContact NZ-OD1 3.89Å; K40-D74 PolarHBondContact NZ-OD1 3.32Å; K40-D74 IonicContact NZ-OD2 3.72Å; K40-D74 PolarHBondContact NZ-OD2 2.9Å; K40-L91 HydrophobicContact CG-CD1 4.48Å
41E85.9Confident77Confident66 Ų6664.4 Ų64.431%0.30833%0.329SS..Hα-helixtrans-61.3-46174.3-164.8-164.6158.900111.6E37 K38 L39 C43 L44 K45 L58E37-E41 PolarHBondContact O-N 2.77Å; K38-E41 PolarHBondContact O-N 2.78Å; L39-E41 VanDerWaalsContact C-N 3.33Å; L39-E41 PolarHBondContact O-N 3.01Å; E41-C43 VanDerWaalsContact C-N 3.34Å; E41-C43 PolarHBondContact O-N 2.87Å; E41-L44 PolarHBondContact O-N 2.84Å; E41-K45 WeakPolarHBondContact O-CG 3.44Å; E41-K45 PolarHBondContact O-N 3.25Å; E41-K45 WeakPolarHBondContact OE1-CE 3.32Å; E41-K45 IonicContact OE1-NZ 3.21Å; E41-K45 PolarHBondContact OE1-NZ 3.39Å; E41-L58 HydrophobicContact CB-CD2 4.03Å; E41-L58 HydrophobicContact CG-CD2 4.49Å
42R84.2Confident75.4Confident100 Ų10064.9 Ų64.938%0.37733%0.33SS..Hα-helixtrans-60.9-42.7174.7-71.3175.366.5170.6-3.4111.8E28 E29 K38 L39 L44 K45 H46E28-R42 IonicContact OE1-CZ 3.56Å; E28-R42 IonicContact OE1-NE 3.06Å; E28-R42 PolarHBondContact OE1-NE 2.91Å; E28-R42 IonicContact OE1-NH2 3.14Å; E28-R42 PolarHBondContact OE1-NH2 2.86Å; E29-R42 PolarHBondContact O-NH1 3.41Å; E29-R42 PolarHBondContact O-NH2 3.42Å; K38-R42 WeakPolarHBondContact O-CG 3.31Å; K38-R42 PolarHBondContact O-N 2.78Å; L39-R42 WeakPolarHBondContact O-CB 3.23Å; L39-R42 PolarHBondContact O-N 3.49Å; R42-L44 VanDerWaalsContact C-N 3.32Å; R42-L44 PolarHBondContact O-N 2.83Å; R42-K45 PolarHBondContact O-N 2.74Å; R42-H46 PolarHBondContact O-N 3.25Å; R42-H46 VanDerWaalsContact O-N 3.14Å
43C85.1Confident73.8Confident0 Ų070 Ų700%035%0.354CS..Hα-helixtrans-59.5-43.6176.7-59.70000111.8I18 W26 L39 K40 E41 H46 H47 L91I18-C43 HydrophobicContact CD1-CB 4.35Å; I18-C43 WeakPolarHBondContact CD1-SG 3.33Å; I18-C43 HydrophobicContact CG2-CB 4.5Å; W26-C43 HydrophobicContact CZ2-CB 4.08Å; L39-C43 PolarHBondContact O-N 2.75Å; L39-C43 PolarHBondContact O-SG 2.85Å; K40-C43 WeakPolarHBondContact O-CB 3.37Å; K40-C43 PolarHBondContact O-N 2.76Å; E41-C43 VanDerWaalsContact C-N 3.34Å; E41-C43 PolarHBondContact O-N 2.87Å; C43-H46 PolarHBondContact O-N 2.9Å; C43-H47 WeakPolarHBondContact O-CB 3.46Å; C43-H47 PolarHBondContact O-N 3.15Å; C43-L91 HydrophobicContact CB-CD2 4.1Å
44L81.3Confident72.5Confident3 Ų369.5 Ų69.52%0.01635%0.351CS..Hα-helixtrans-70.3-36.6-179-74.2164.2000112.3K40 E41 R42 H46 H47 V48 L52 L58 H61 L91K40-L44 HydrophobicContact CG-CD1 4.11Å; K40-L44 WeakPolarHBondContact O-CB 3.49Å; K40-L44 WeakPolarHBondContact O-CG 3.46Å; K40-L44 PolarHBondContact O-N 2.86Å; E41-L44 PolarHBondContact O-N 2.84Å; R42-L44 VanDerWaalsContact C-N 3.32Å; R42-L44 PolarHBondContact O-N 2.83Å; L44-H46 PolarHBondContact O-N 3.14Å; L44-H47 PolarHBondContact O-N 2.73Å; L44-V48 PolarHBondContact O-N 2.99Å; L44-L52 HydrophobicContact CB-CD1 3.95Å; L44-L58 HydrophobicContact CD1-CD2 3.85Å; L44-L58 HydrophobicContact CD1-CG 4.43Å; L44-H61 HydrophobicContact CD1-CB 4.4Å; L44-H61 HydrophobicContact CD2-CB 4.26Å; L44-L91 HydrophobicContact CD2-CD1 4.49Å; L44-L91 HydrophobicContact CD2-CD2 4.05Å; L44-L91 HydrophobicContact CG-CD2 4.41Å
45K78Confident71.3Confident109 Ų10973.5 Ų73.547%0.47438%0.378SS..Hα-helixtrans-60.8-34.9171.9-73.4175.8-176.8168.60112.2E41 R42 L52E41-K45 WeakPolarHBondContact O-CG 3.44Å; E41-K45 PolarHBondContact O-N 3.25Å; E41-K45 WeakPolarHBondContact OE1-CE 3.32Å; E41-K45 IonicContact OE1-NZ 3.21Å; E41-K45 PolarHBondContact OE1-NZ 3.39Å; R42-K45 PolarHBondContact O-N 2.74Å; K45-L52 HydrophobicContact CB-CD1 4.25Å; K45-L52 HydrophobicContact CG-CD1 3.37Å
46H72.3Confident70Confident91 Ų9178.5 Ų78.542%0.42140%0.396SS..Hα-helixtrans-78.3-37179.9-162.9-90.4000112.5W26 R42 C43 L44W26-H46 AromaticContact CD1-CE1 3.95Å; W26-H46 AromaticContact CD1-ND1 3.8Å; W26-H46 AromaticContact CD2-CE1 3.86Å; W26-H46 AromaticContact CD2-ND1 3.35Å; W26-H46 VanDerWaalsContact CD2-ND1 3.35Å; W26-H46 AromaticContact CE2-CG 3.88Å; W26-H46 AromaticContact CE2-ND1 3.52Å; W26-H46 AromaticContact CE3-ND1 3.77Å; W26-H46 AromaticContact CG-CE1 3.62Å; W26-H46 AromaticContact CG-ND1 3.57Å; W26-H46 HydrophobicContact CZ2-CB 4.02Å; W26-H46 AromaticContact NE1-CG 3.82Å; W26-H46 AromaticContact NE1-ND1 3.76Å; R42-H46 PolarHBondContact O-N 3.25Å; R42-H46 VanDerWaalsContact O-N 3.14Å; C43-H46 PolarHBondContact O-N 2.9Å; L44-H46 PolarHBondContact O-N 3.14Å
47H65.4Low69Low59 Ų5980.6 Ų80.627%0.27341%0.409SS..Hα-helixtrans-81.1-38.4-178.4-178.663000113.9T20 D22 W26 C43 L44 L91T20-H47 HydrophobicContact CG2-CB 4.37Å; T20-H47 WeakPolarHBondContact CG2-ND1 3.49Å; D22-H47 IonicContact OD2-CE1 3.55Å; D22-H47 PolarHBondContact OD2-CE1 3.03Å; D22-H47 VanDerWaalsContact OD2-CE1 3.31Å; D22-H47 IonicContact OD2-NE2 2.74Å; W26-H47 HydrophobicContact CH2-CB 4.09Å; C43-H47 WeakPolarHBondContact O-CB 3.46Å; C43-H47 PolarHBondContact O-N 3.15Å; L44-H47 PolarHBondContact O-N 2.73Å; H47-L91 HydrophobicContact CB-CD2 4.37Å
48V60.9Low68.2Low79 Ų7977.4 Ų77.448%0.47939%0.394SS..SBendtrans-103.298.1176.5-174.60000107.1L44 G50L44-V48 PolarHBondContact O-N 2.99Å; V48-G50 PolarHBondContact O-N 3.03Å
49H47.4Very low67.6Low179 Ų17975.3 Ų75.383%0.82939%0.393SS*.  trans-64.183.6170.9-73.3-14.5000110
50G44.5Very low67.1Low45 Ų4578.5 Ų78.546%0.46441%0.407SS..SBendtrans173.9141.3-17900000111.2V48 L52V48-G50 PolarHBondContact O-N 3.03Å; G50-L52 PolarHBondContact O-N 3.13Å
51T43.4Very low66.9Low125 Ų12579.6 Ų79.677%0.76741%0.412SS*.  trans-49.6120.4178.4-48.70000110.5E53T51-E53 HydrophobicContact CG2-CG 4.03Å; T51-E53 PolarHBondContact O-N 3.4Å
52L53.7Low67Low52 Ų5279.5 Ų79.527%0.27241%0.411SS..  trans-6881.7171.9-102.6135.8000109.1L44 K45 G50 T57L44-L52 HydrophobicContact CB-CD1 3.95Å; K45-L52 HydrophobicContact CB-CD1 4.25Å; K45-L52 HydrophobicContact CG-CD1 3.37Å; G50-L52 PolarHBondContact O-N 3.13Å; L52-T57 WeakPolarHBondContact CD2-OG1 3.35Å
53E50.2Low67.2Low168 Ų16874.8 Ų74.879%0.78539%0.393SS*.  trans-82.9-14.4175.9-82.3-175.613800113T51T51-E53 HydrophobicContact CG2-CG 4.03Å; T51-E53 PolarHBondContact O-N 3.4Å
54D57.3Low67.3Low105 Ų10575.9 Ų75.956%0.56140%0.399SS*.  trans-113.3111.1-175.2-89.1-45.3000113.9K56 T57D54-K56 PolarHBondContact O-N 3.32Å; D54-K56 VanDerWaalsContact O-N 3.08Å; D54-T57 HydrophobicContact CB-CG2 4Å; D54-T57 WeakPolarHBondContact O-CB 3.42Å; D54-T57 WeakPolarHBondContact O-CG2 3.18Å; D54-T57 PolarHBondContact O-N 2.82Å; D54-T57 VanDerWaalsContact O-N 3.14Å; D54-T57 PolarHBondContact O-OG1 2.92Å
55P60.6Low67.8Low104 Ų10476.3 Ų76.368%0.67540%0.401SS*.THydrogen-bonded Turntrans-58.3-22.9174.6-22.931.2000114T57 L58P55-T57 PolarHBondContact O-N 2.9Å; P55-L58 PolarHBondContact O-N 3.02Å
56K62.6Low68.2Low143 Ų14373 Ų7362%0.62239%0.394SS*.Hα-helixtrans-66.1-26.3180-65.4-179.5-177.7175.10112.3D54 L58 T59 H60D54-K56 PolarHBondContact O-N 3.32Å; D54-K56 VanDerWaalsContact O-N 3.08Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.4Å; K56-T59 PolarHBondContact O-N 3.5Å; K56-T59 PolarHBondContact O-OG1 2.84Å; K56-H60 PolarHBondContact O-CD2 3.21Å; K56-H60 PolarHBondContact O-N 2.89Å
57T67.4Low68.9Low44 Ų4472.7 Ų72.727%0.2741%0.407SS..Hα-helixtrans-60-34.7179.8580000112.9L52 D54 P55 T59 H60 H61L52-T57 WeakPolarHBondContact CD2-OG1 3.35Å; D54-T57 HydrophobicContact CB-CG2 4Å; D54-T57 WeakPolarHBondContact O-CB 3.42Å; D54-T57 WeakPolarHBondContact O-CG2 3.18Å; D54-T57 PolarHBondContact O-N 2.82Å; D54-T57 VanDerWaalsContact O-N 3.14Å; D54-T57 PolarHBondContact O-OG1 2.92Å; P55-T57 PolarHBondContact O-N 2.9Å; T57-T59 VanDerWaalsContact C-N 3.35Å; T57-T59 PolarHBondContact O-N 2.67Å; T57-H60 PolarHBondContact O-N 3.49Å; T57-H61 PolarHBondContact O-N 3.29Å; T57-H61 PolarHBondContact O-ND1 3.42Å
58L71.4Confident69.8Low27 Ų2774.2 Ų74.214%0.14142%0.42CS..Hα-helixtrans-63.5-38.9174.4-73.4162.6000112K40 E41 L44 P55 K56 H60 H61K40-L58 HydrophobicContact CB-CD2 4.41Å; K40-L58 HydrophobicContact CD-CD2 4.38Å; K40-L58 WeakPolarHBondContact CE-O 3.06Å; K40-L58 HydrophobicContact CG-CD2 4.15Å; K40-L58 PolarHBondContact NZ-O 2.7Å; E41-L58 HydrophobicContact CB-CD2 4.03Å; E41-L58 HydrophobicContact CG-CD2 4.49Å; L44-L58 HydrophobicContact CD1-CD2 3.85Å; L44-L58 HydrophobicContact CD1-CG 4.43Å; P55-L58 PolarHBondContact O-N 3.02Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.4Å; L58-H60 VanDerWaalsContact C-N 3.29Å; L58-H60 PolarHBondContact O-N 3.09Å; L58-H61 PolarHBondContact O-N 2.88Å; L58-H61 VanDerWaalsContact O-O 3.12Å
59T72.6Confident71Confident83 Ų8378.7 Ų78.751%0.50944%0.436SS..Hα-helixtrans-70.3-29.4178.3700000112.1K56 T57 H61 K94K56-T59 PolarHBondContact O-N 3.5Å; K56-T59 PolarHBondContact O-OG1 2.84Å; T57-T59 VanDerWaalsContact C-N 3.35Å; T57-T59 PolarHBondContact O-N 2.67Å; T59-H61 VanDerWaalsContact C-N 3.29Å; T59-H61 PolarHBondContact O-N 2.99Å; T59-K94 WeakPolarHBondContact O-CD 3.23Å; T59-K94 PolarHBondContact O-NZ 3.2Å; T59-K94 VanDerWaalsContact O-NZ 3.15Å
60H78.4Confident72.8Confident66 Ų6675.4 Ų75.431%0.30642%0.416SS..THydrogen-bonded Turntrans-80.5-1.4178.2-66.3-57.1000113.9K56 T57 L58 K93 K94K56-H60 PolarHBondContact O-CD2 3.21Å; K56-H60 PolarHBondContact O-N 2.89Å; T57-H60 PolarHBondContact O-N 3.49Å; L58-H60 VanDerWaalsContact C-N 3.29Å; L58-H60 PolarHBondContact O-N 3.09Å; H60-K93 CarbonylContact O-C 3.55Å; H60-K93 WeakPolarHBondContact O-CA 3.46Å; H60-K94 PolarHBondContact O-N 2.94Å
61H82.5Confident74.9Confident24 Ų2476.4 Ų76.411%0.11141%0.413CS..EExtended strand (participates in β ladder)trans-126.1153176.2-63.682.3000111.3L44 T57 L58 T59 L91 I92L44-H61 HydrophobicContact CD1-CB 4.4Å; L44-H61 HydrophobicContact CD2-CB 4.26Å; T57-H61 PolarHBondContact O-N 3.29Å; T57-H61 PolarHBondContact O-ND1 3.42Å; L58-H61 PolarHBondContact O-N 2.88Å; L58-H61 VanDerWaalsContact O-O 3.12Å; T59-H61 VanDerWaalsContact C-N 3.29Å; T59-H61 PolarHBondContact O-N 2.99Å; H61-L91 HydrophobicContact CB-CD1 4.01Å; H61-I92 CarbonylContact C-O 3.59Å; H61-I92 VanDerWaalsContact CA-O 3.29Å; H61-I92 WeakPolarHBondContact CA-O 3.31Å
62K86.9Confident77Confident64 Ų6470.9 Ų70.928%0.27838%0.379SS..EExtended strand (participates in β ladder)trans-131.7144.1173.157.6175.6176.9169.80109.7I64 V71 I92 K94K62-I64 HydrophobicContact CD-CD1 4.17Å; K62-I64 HydrophobicContact CD-CG1 4.33Å; K62-I64 HydrophobicContact CG-CG1 4.39Å; K62-V71 HydrophobicContact CB-CG1 3.96Å; K62-V71 HydrophobicContact CD-CG1 4.24Å; K62-V71 HydrophobicContact CD-CG2 4.13Å; K62-I92 HydrophobicContact CG-CB 4.06Å; K62-I92 PolarHBondContact N-O 2.93Å; K62-I92 PolarHBondContact O-N 3.33Å; K62-K94 HydrophobicContact CD-CG 4.47Å; K62-K94 HydrophobicContact CG-CG 4.28Å
63L88.5Confident78.6Confident1 Ų171 Ų711%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-96.6132.1167.9-73.6170000108.7V36 L39 K40 L72 L89 L90 L91V36-L63 HydrophobicContact CG1-CD1 4.23Å; L39-L63 HydrophobicContact CD2-CD1 4.13Å; L39-L63 HydrophobicContact CG-CD1 4.02Å; K40-L63 HydrophobicContact CB-CD1 3.77Å; K40-L63 HydrophobicContact CB-CG 4.34Å; K40-L63 HydrophobicContact CG-CD1 4.33Å; K40-L63 HydrophobicContact CG-CG 4.37Å; L63-L72 HydrophobicContact CB-CB 4.37Å; L63-L72 HydrophobicContact CB-CD1 4.04Å; L63-L72 HydrophobicContact CB-CG 4.48Å; L63-L72 PolarHBondContact O-N 3.01Å; L63-L89 HydrophobicContact CD2-CB 4.35Å; L63-L90 CarbonylContact C-O 3.59Å; L63-L90 WeakPolarHBondContact CA-O 3.41Å; L63-L91 HydrophobicContact CD2-CB 4.11Å; L63-L91 HydrophobicContact CD2-CD1 3.87Å; L63-L91 HydrophobicContact CG-CD1 4.34Å
64I88.9Confident80.3Confident22 Ų2265.5 Ų65.511%0.11336%0.358CS..EExtended strand (participates in β ladder)trans-118.6129177.1-52.1-170.3000108.2K62 A66 R70 V71 L89 L90 I92K62-I64 HydrophobicContact CD-CD1 4.17Å; K62-I64 HydrophobicContact CD-CG1 4.33Å; K62-I64 HydrophobicContact CG-CG1 4.39Å; I64-A66 PolarHBondContact O-N 2.88Å; I64-R70 WeakPolarHBondContact CA-O 3.32Å; I64-V71 HydrophobicContact CD1-CG2 4.3Å; I64-V71 HydrophobicContact CG1-CG2 4.19Å; I64-L89 CarbonylContact O-C 3.57Å; I64-L89 VanDerWaalsContact O-CA 3.31Å; I64-L89 WeakPolarHBondContact O-CA 3.35Å; I64-L90 HydrophobicContact CB-CB 4.26Å; I64-L90 PolarHBondContact N-O 2.92Å; I64-L90 PolarHBondContact O-N 3.12Å; I64-I92 HydrophobicContact CD1-CD1 3.56Å; I64-I92 HydrophobicContact CD1-CG1 4.38Å; I64-I92 HydrophobicContact CG1-CD1 4.29Å
65H90.6Very high81.7Confident13 Ų1366.2 Ų66.26%0.0637%0.366CS..EExtended strand (participates in β ladder)trans-76.3118.3171.5-177.2-112.9000109.9A67 T68 E69 R70 L72 L83 D87 L89H65-A67 VanDerWaalsContact C-N 3.34Å; H65-A67 PolarHBondContact O-N 3.33Å; H65-T68 WeakPolarHBondContact ND1-CG2 3.48Å; H65-T68 PolarHBondContact ND1-N 2.8Å; H65-T68 PolarHBondContact ND1-OG1 3.14Å; H65-T68 PolarHBondContact O-N 3.29Å; H65-E69 WeakPolarHBondContact O-CA 3.29Å; H65-E69 PolarHBondContact O-N 3.06Å; H65-R70 PolarHBondContact N-O 3.42Å; H65-L72 HydrophobicContact CB-CD2 4.25Å; H65-L83 HydrophobicContact CB-CD2 4.4Å; H65-L83 WeakPolarHBondContact CD2-CD2 3.36Å; H65-D87 IonicContact CE1-OD2 3.31Å; H65-D87 WeakPolarHBondContact NE2-CB 3.45Å; H65-D87 IonicContact NE2-OD1 3.63Å; H65-D87 IonicContact NE2-OD2 2.81Å; H65-D87 PolarHBondContact NE2-OD2 2.71Å; H65-D87 VanDerWaalsContact NE2-OD2 3.14Å; H65-L89 HydrophobicContact CB-CD2 3.96Å
66A87.3Confident83Confident40 Ų4065 Ų6533%0.33135%0.351SS..THydrogen-bonded Turntrans-66.4-34.2-169.800000112.8I64 V88 L90I64-A66 PolarHBondContact O-N 2.88Å; A66-V88 HydrophobicContact CB-CB 3.95Å; A66-V88 HydrophobicContact CB-CG1 4.04Å; A66-V88 VanDerWaalsContact CB-O 3.32Å; A66-V88 WeakPolarHBondContact CB-O 3.38Å; A66-V88 PolarHBondContact N-O 2.83Å; A66-L90 HydrophobicContact CB-CD1 4.28Å
67A86.1Confident84.2Confident84 Ų8459.8 Ų59.869%0.69433%0.331SS*.THydrogen-bonded Turntrans-78.9-25.4-177.600000113.8H65H65-A67 VanDerWaalsContact C-N 3.34Å; H65-A67 PolarHBondContact O-N 3.33Å
68T85.4Confident85.1Confident90 Ų9057.7 Ų57.755%0.55232%0.318SS*.THydrogen-bonded Turntrans-108-1.4178.859.40000113.2H65 R70H65-T68 WeakPolarHBondContact ND1-CG2 3.48Å; H65-T68 PolarHBondContact ND1-N 2.8Å; H65-T68 PolarHBondContact ND1-OG1 3.14Å; H65-T68 PolarHBondContact O-N 3.29Å; T68-R70 PolarHBondContact O-N 2.75Å
69E84.3Confident85.6Confident173 Ų17358.6 Ų58.681%0.80833%0.329SS*.THydrogen-bonded Turntrans52.719.9-176.1-57.1-176.9168.700114H65H65-E69 WeakPolarHBondContact O-CA 3.29Å; H65-E69 PolarHBondContact O-N 3.06Å
70R86.7Confident86.3Confident111 Ų11159.2 Ų59.242%0.41933%0.329SS..EExtended strand (participates in β ladder)trans-99.3136.7-171.4-171.9173.7169.6-121.1-25.1110.9I64 H65 T68 L72 E81I64-R70 WeakPolarHBondContact CA-O 3.32Å; H65-R70 PolarHBondContact N-O 3.42Å; T68-R70 PolarHBondContact O-N 2.75Å; R70-L72 PolarHBondContact O-N 3.04Å; R70-E81 IonicContact CZ-OE2 3.81Å; R70-E81 IonicContact NH1-OE2 3.62Å; R70-E81 PolarHBondContact NH1-OE2 3.45Å; R70-E81 IonicContact NH2-OE1 3.62Å; R70-E81 PolarHBondContact NH2-OE1 2.74Å; R70-E81 IonicContact NH2-OE2 2.85Å; R70-E81 PolarHBondContact NH2-OE2 2.99Å
71V88.1Confident86.4Confident66 Ų6656.6 Ų56.640%0.432%0.317SS..EExtended strand (participates in β ladder)trans-73.2125.1171-175.60000109K62 I64K62-V71 HydrophobicContact CB-CG1 3.96Å; K62-V71 HydrophobicContact CD-CG1 4.24Å; K62-V71 HydrophobicContact CD-CG2 4.13Å; I64-V71 HydrophobicContact CD1-CG2 4.3Å; I64-V71 HydrophobicContact CG1-CG2 4.19Å
72L86.9Confident86.4Confident9 Ų961.5 Ų61.55%0.04734%0.344CS..PPolyproline II helixtrans-73.9142.9176.8-60.3-179.8000110.8V36 L63 H65 R70 E81 L83 L89V36-L72 HydrophobicContact CG1-CB 3.67Å; V36-L72 HydrophobicContact CG1-CD1 4.36Å; V36-L72 HydrophobicContact CG2-CB 4.23Å; L63-L72 HydrophobicContact CB-CB 4.37Å; L63-L72 HydrophobicContact CB-CD1 4.04Å; L63-L72 HydrophobicContact CB-CG 4.48Å; L63-L72 PolarHBondContact O-N 3.01Å; H65-L72 HydrophobicContact CB-CD2 4.25Å; R70-L72 PolarHBondContact O-N 3.04Å; L72-E81 HydrophobicContact CD2-CB 3.8Å; L72-E81 HydrophobicContact CD2-CG 3.97Å; L72-L83 HydrophobicContact CD1-CD1 3.99Å; L72-L83 HydrophobicContact CD1-CD2 4.49Å; L72-L83 HydrophobicContact CD2-CD2 4.47Å; L72-L89 HydrophobicContact CD1-CD1 3.97Å; L72-L89 HydrophobicContact CD1-CD2 3.7Å
73T87.1Confident86.2Confident55 Ų5559 Ų5934%0.33733%0.333SS..PPolyproline II helixtrans-92.2127.8-178.2-36.60000110.3V36 T75 K76 E81V36-T73 WeakPolarHBondContact CB-O 3.49Å; T73-T75 WeakPolarHBondContact CG2-OG1 3.41Å; T73-T75 PolarHBondContact O-N 3.32Å; T73-T75 VanDerWaalsContact O-N 3.14Å; T73-K76 PolarHBondContact O-N 2.92Å; T73-K76 VanDerWaalsContact O-N 3.14Å; T73-E81 WeakPolarHBondContact CB-OE1 3.49Å; T73-E81 PolarHBondContact N-OE1 3.49Å; T73-E81 PolarHBondContact OG1-OE1 2.84Å
74D86Confident86Confident51 Ų5165.9 Ų65.927%0.27336%0.364SS..THydrogen-bonded Turntrans-58.2-31.5-175.7-66.1-24.8000113.7E37 K40 K76E37-D74 HydrophobicContact CB-CB 4.2Å; E37-D74 WeakPolarHBondContact CB-O 3.24Å; E37-D74 PolarHBondContact N-O 2.98Å; K40-D74 WeakPolarHBondContact CE-OD1 3.42Å; K40-D74 IonicContact NZ-OD1 3.89Å; K40-D74 PolarHBondContact NZ-OD1 3.32Å; K40-D74 IonicContact NZ-OD2 3.72Å; K40-D74 PolarHBondContact NZ-OD2 2.9Å; D74-K76 VanDerWaalsContact C-N 3.35Å; D74-K76 PolarHBondContact O-N 3.13Å
75T86.6Confident85.8Confident120 Ų12068.5 Ų68.574%0.73638%0.378SS*.THydrogen-bonded Turntrans-76.5-16.4-177.852.20000114.6T73T73-T75 WeakPolarHBondContact CG2-OG1 3.41Å; T73-T75 PolarHBondContact O-N 3.32Å; T73-T75 VanDerWaalsContact O-N 3.14Å
76K88.4Confident85.5Confident80 Ų8074.7 Ų74.735%0.34840%0.404SS..SBendtrans-92.4155.1-175.1-70.3-168.6-179.2-172.50111.8V36 T73 D74 D80 E81V36-K76 WeakPolarHBondContact CG2-O 3.08Å; V36-K76 PolarHBondContact N-O 3.29Å; T73-K76 PolarHBondContact O-N 2.92Å; T73-K76 VanDerWaalsContact O-N 3.14Å; D74-K76 VanDerWaalsContact C-N 3.35Å; D74-K76 PolarHBondContact O-N 3.13Å; K76-D80 HydrophobicContact CB-CB 4.08Å; K76-D80 HydrophobicContact CD-CB 4.32Å; K76-D80 HydrophobicContact CG-CB 4.45Å; K76-E81 HydrophobicContact CB-CG 3.82Å; K76-E81 HydrophobicContact CD-CG 4.17Å; K76-E81 WeakPolarHBondContact CD-OE1 3.3Å
77T88.7Confident85.7Confident33 Ų3374.3 Ų74.320%0.20240%0.397CS..BIsolated β-bridgetrans-80.8163.4171.164.60000111.3T35 A79 D80 E81T35-T77 HydrophobicContact CG2-CG2 4.47Å; T77-A79 PolarHBondContact O-N 3.41Å; T77-D80 PolarHBondContact N-OD2 3.05Å; T77-D80 PolarHBondContact O-N 3.38Å; T77-D80 VanDerWaalsContact O-N 3.17Å; T77-D80 PolarHBondContact OG1-N 3.31Å; T77-D80 PolarHBondContact OG1-OD2 3.02Å; T77-E81 PolarHBondContact O-N 2.79Å; T77-E81 VanDerWaalsContact O-N 3.12Å
78I85.1Confident85.8Confident0 Ų073.2 Ų73.20%038%0.381CS..THydrogen-bonded Turntrans-59.6-35.4174.1-70.8171.9000111L14 I16 V30 T34 L39 N82 L83L14-I78 HydrophobicContact CD1-CG2 3.58Å; I16-I78 HydrophobicContact CD1-CD1 4.31Å; I16-I78 HydrophobicContact CD1-CG2 4.31Å; V30-I78 HydrophobicContact CB-CD1 3.75Å; V30-I78 HydrophobicContact CG1-CD1 3.22Å; T34-I78 HydrophobicContact CG2-CD1 4.48Å; T34-I78 WeakPolarHBondContact O-CG1 3.46Å; T34-I78 PolarHBondContact O-N 3.48Å; L39-I78 HydrophobicContact CD2-CD1 4.1Å; L39-I78 HydrophobicContact CD2-CG1 4.33Å; I78-N82 PolarHBondContact O-N 2.72Å; I78-L83 HydrophobicContact CB-CD1 4.4Å; I78-L83 HydrophobicContact CG1-CD1 4.22Å; I78-L83 HydrophobicContact CG2-CB 3.8Å; I78-L83 HydrophobicContact CG2-CD1 3.97Å; I78-L83 HydrophobicContact CG2-CG 4.44Å; I78-L83 PolarHBondContact O-N 2.88Å
79A83.6Confident86.1Confident46 Ų4668.9 Ų68.938%0.3836%0.355SS..THydrogen-bonded Turntrans-63.1-45.8172.500000112.6E32 T77 E81 N82E32-A79 HydrophobicContact CB-CB 4.29Å; E32-A79 PolarHBondContact O-N 3Å; T77-A79 PolarHBondContact O-N 3.41Å; A79-E81 VanDerWaalsContact C-N 3.3Å; A79-E81 PolarHBondContact O-N 3.38Å; A79-N82 PolarHBondContact O-N 2.87Å
80D85.4Confident86.3Confident95 Ų9563.5 Ų63.551%0.50833%0.331SS..THydrogen-bonded Turntrans-67.2-29.4-178.3-65-40.1000113.1K76 T77 N82K76-D80 HydrophobicContact CB-CB 4.08Å; K76-D80 HydrophobicContact CD-CB 4.32Å; K76-D80 HydrophobicContact CG-CB 4.45Å; T77-D80 PolarHBondContact N-OD2 3.05Å; T77-D80 PolarHBondContact O-N 3.38Å; T77-D80 VanDerWaalsContact O-N 3.17Å; T77-D80 PolarHBondContact OG1-N 3.31Å; T77-D80 PolarHBondContact OG1-OD2 3.02Å; D80-N82 VanDerWaalsContact C-N 3.28Å; D80-N82 PolarHBondContact O-ND2 2.98Å
81E81.6Confident86.4Confident12 Ų1258.5 Ų58.56%0.05631%0.313CS..THydrogen-bonded Turntrans-87.36.9174.7-67.1-73.9-165.100113.2V36 R70 L72 T73 K76 T77 A79 L83V36-E81 HydrophobicContact CG2-CG 4.17Å; R70-E81 IonicContact CZ-OE2 3.81Å; R70-E81 IonicContact NH1-OE2 3.62Å; R70-E81 PolarHBondContact NH1-OE2 3.45Å; R70-E81 IonicContact NH2-OE1 3.62Å; R70-E81 PolarHBondContact NH2-OE1 2.74Å; R70-E81 IonicContact NH2-OE2 2.85Å; R70-E81 PolarHBondContact NH2-OE2 2.99Å; L72-E81 HydrophobicContact CD2-CB 3.8Å; L72-E81 HydrophobicContact CD2-CG 3.97Å; T73-E81 WeakPolarHBondContact CB-OE1 3.49Å; T73-E81 PolarHBondContact N-OE1 3.49Å; T73-E81 PolarHBondContact OG1-OE1 2.84Å; K76-E81 HydrophobicContact CB-CG 3.82Å; K76-E81 HydrophobicContact CD-CG 4.17Å; K76-E81 WeakPolarHBondContact CD-OE1 3.3Å; T77-E81 PolarHBondContact O-N 2.79Å; T77-E81 VanDerWaalsContact O-N 3.12Å; A79-E81 VanDerWaalsContact C-N 3.3Å; A79-E81 PolarHBondContact O-N 3.38Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 2.97Å
82N82.7Confident86.2Confident126 Ų12657.6 Ų57.667%0.67431%0.305SS*.THydrogen-bonded Turntrans5733.6174.8-64.8-90.9000114.8I78 A79 D80I78-N82 PolarHBondContact O-N 2.72Å; A79-N82 PolarHBondContact O-N 2.87Å; D80-N82 VanDerWaalsContact C-N 3.28Å; D80-N82 PolarHBondContact O-ND2 2.98Å
83L83.3Confident86Confident11 Ų1163.6 Ų63.66%0.05833%0.331CS..  trans-72.5135.5176.8-66.2173.2000111I16 H65 L72 I78 E81 L89I16-L83 HydrophobicContact CD1-CD1 4.28Å; H65-L83 HydrophobicContact CB-CD2 4.4Å; H65-L83 WeakPolarHBondContact CD2-CD2 3.36Å; L72-L83 HydrophobicContact CD1-CD1 3.99Å; L72-L83 HydrophobicContact CD1-CD2 4.49Å; L72-L83 HydrophobicContact CD2-CD2 4.47Å; I78-L83 HydrophobicContact CB-CD1 4.4Å; I78-L83 HydrophobicContact CG1-CD1 4.22Å; I78-L83 HydrophobicContact CG2-CB 3.8Å; I78-L83 HydrophobicContact CG2-CD1 3.97Å; I78-L83 HydrophobicContact CG2-CG 4.44Å; I78-L83 PolarHBondContact O-N 2.88Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 2.97Å; L83-L89 HydrophobicContact CD1-CD1 4.37Å; L83-L89 HydrophobicContact CD2-CD2 3.88Å
84K83.7Confident85.5Confident147 Ų14765.2 Ų65.264%0.63933%0.334SS*.  trans-108.5166.2-179.9-62.4-178.4-177.11760111.4K86 D87K84-K86 PolarHBondContact O-N 3.38Å; K84-D87 WeakPolarHBondContact CA-OD2 3.33Å; K84-D87 WeakPolarHBondContact CB-OD2 3.23Å; K84-D87 PolarHBondContact N-OD2 3.11Å; K84-D87 WeakPolarHBondContact O-CB 3.08Å; K84-D87 PolarHBondContact O-N 3.21Å
85D85.2Confident84.5Confident77 Ų7774 Ų7441%0.41236%0.363SS..THydrogen-bonded Turntrans-61.6130.6174.1-169.858.2000109.8L14 K15 D87L14-D85 HydrophobicContact CD2-CB 4.16Å; K15-D85 WeakPolarHBondContact CB-OD1 3.42Å; K15-D85 PolarHBondContact N-OD1 3.4Å; D85-D87 VanDerWaalsContact C-N 3.34Å
86K84.4Confident83.1Confident142 Ų14272.5 Ų72.562%0.61736%0.355SS*.THydrogen-bonded Turntrans72.314.5-177.2-50.8173-175.6177.40116K15 K84K15-K86 WeakPolarHBondContact O-CA 3.21Å; K15-K86 PolarHBondContact O-N 3.21Å; K84-K86 PolarHBondContact O-N 3.38Å
87D89.5Confident81.4Confident32 Ų3273.5 Ų73.517%0.17137%0.37CS..  trans-65.5150.9171.1-80.5-10000111.5I16 H17 H65 K84 D85I16-D87 WeakPolarHBondContact CG2-O 3.36Å; H17-D87 PolarHBondContact N-O 3.36Å; H65-D87 IonicContact CE1-OD2 3.31Å; H65-D87 WeakPolarHBondContact NE2-CB 3.45Å; H65-D87 IonicContact NE2-OD1 3.63Å; H65-D87 IonicContact NE2-OD2 2.81Å; H65-D87 PolarHBondContact NE2-OD2 2.71Å; H65-D87 VanDerWaalsContact NE2-OD2 3.14Å; K84-D87 WeakPolarHBondContact CA-OD2 3.33Å; K84-D87 WeakPolarHBondContact CB-OD2 3.23Å; K84-D87 PolarHBondContact N-OD2 3.11Å; K84-D87 WeakPolarHBondContact O-CB 3.08Å; K84-D87 PolarHBondContact O-N 3.21Å; D85-D87 VanDerWaalsContact C-N 3.34Å
88V89.1Confident79.4Confident61 Ų6178 Ų7837%0.3740%0.399SS..EExtended strand (participates in β ladder)trans-105.3126.6-177.1-177.30000110H17 A66H17-V88 HydrophobicContact CB-CB 4.46Å; H17-V88 HydrophobicContact CB-CG2 4.01Å; H17-V88 CarbonylContact O-C 3.52Å; H17-V88 WeakPolarHBondContact O-CA 3.27Å; A66-V88 HydrophobicContact CB-CB 3.95Å; A66-V88 HydrophobicContact CB-CG1 4.04Å; A66-V88 VanDerWaalsContact CB-O 3.32Å; A66-V88 WeakPolarHBondContact CB-O 3.38Å; A66-V88 PolarHBondContact N-O 2.83Å
89L91.4Very high77.7Confident0 Ų084 Ų840%044%0.436CS..EExtended strand (participates in β ladder)trans-113.3136.7175.4-61.2-173.6000111.2I16 H17 I18 C19 L39 L63 I64 H65 L72 L83I16-L89 HydrophobicContact CG2-CB 4.41Å; I16-L89 HydrophobicContact CG2-CD1 3.63Å; I16-L89 HydrophobicContact CG2-CG 3.59Å; H17-L89 PolarHBondContact O-N 3.31Å; I18-L89 CarbonylContact C-O 3.54Å; I18-L89 WeakPolarHBondContact CA-O 3.48Å; C19-L89 PolarHBondContact N-O 2.91Å; L39-L89 HydrophobicContact CD2-CD1 3.64Å; L63-L89 HydrophobicContact CD2-CB 4.35Å; I64-L89 CarbonylContact O-C 3.57Å; I64-L89 VanDerWaalsContact O-CA 3.31Å; I64-L89 WeakPolarHBondContact O-CA 3.35Å; H65-L89 HydrophobicContact CB-CD2 3.96Å; L72-L89 HydrophobicContact CD1-CD1 3.97Å; L72-L89 HydrophobicContact CD1-CD2 3.7Å; L83-L89 HydrophobicContact CD1-CD1 4.37Å; L83-L89 HydrophobicContact CD2-CD2 3.88Å
90L89Confident76.1Confident59 Ų5987 Ų8731%0.30945%0.452SS..EExtended strand (participates in β ladder)trans-102.7118.5175.4-69161.4000110C19 L63 I64 A66 I92C19-L90 HydrophobicContact CB-CD2 3.89Å; C19-L90 CarbonylContact O-C 3.48Å; C19-L90 VanDerWaalsContact O-CA 3.28Å; C19-L90 WeakPolarHBondContact O-CA 3.31Å; L63-L90 CarbonylContact C-O 3.59Å; L63-L90 WeakPolarHBondContact CA-O 3.41Å; I64-L90 HydrophobicContact CB-CB 4.26Å; I64-L90 PolarHBondContact N-O 2.92Å; I64-L90 PolarHBondContact O-N 3.12Å; A66-L90 HydrophobicContact CB-CD1 4.28Å; L90-I92 HydrophobicContact CB-CD1 4.42Å; L90-I92 HydrophobicContact CB-CG1 4.3Å
91L88.1Confident74.4Confident6 Ų688.3 Ų88.33%0.03147%0.466CS..EExtended strand (participates in β ladder)trans-87113.7172.5-178.167.4000109.8I18 C19 T20 K40 C43 L44 H47 H61 L63I18-L91 HydrophobicContact CG2-CB 4.36Å; C19-L91 PolarHBondContact O-N 3.49Å; T20-L91 HydrophobicContact CG2-CB 4.17Å; T20-L91 HydrophobicContact CG2-CD2 4.17Å; K40-L91 HydrophobicContact CG-CD1 4.48Å; C43-L91 HydrophobicContact CB-CD2 4.1Å; L44-L91 HydrophobicContact CD2-CD1 4.49Å; L44-L91 HydrophobicContact CD2-CD2 4.05Å; L44-L91 HydrophobicContact CG-CD2 4.41Å; H47-L91 HydrophobicContact CB-CD2 4.37Å; H61-L91 HydrophobicContact CB-CD1 4.01Å; L63-L91 HydrophobicContact CD2-CB 4.11Å; L63-L91 HydrophobicContact CD2-CD1 3.87Å; L63-L91 HydrophobicContact CG-CD1 4.34Å
92I85.1Confident72.8Confident47 Ų4796.5 Ų96.524%0.24150%0.501CS..EExtended strand (participates in β ladder)trans-123.2129.3-174.7-56.8-170.9000111.7M21 H61 K62 I64 L90 K94M21-I92 HydrophobicContact CE-CB 4.15Å; M21-I92 HydrophobicContact CE-CG2 3.59Å; H61-I92 CarbonylContact C-O 3.59Å; H61-I92 VanDerWaalsContact CA-O 3.29Å; H61-I92 WeakPolarHBondContact CA-O 3.31Å; K62-I92 HydrophobicContact CG-CB 4.06Å; K62-I92 PolarHBondContact N-O 2.93Å; K62-I92 PolarHBondContact O-N 3.33Å; I64-I92 HydrophobicContact CD1-CD1 3.56Å; I64-I92 HydrophobicContact CD1-CG1 4.38Å; I64-I92 HydrophobicContact CG1-CD1 4.29Å; L90-I92 HydrophobicContact CB-CD1 4.42Å; L90-I92 HydrophobicContact CB-CG1 4.3Å; I92-K94 PolarHBondContact O-N 3.33Å
93K82.4Confident71.2Confident135 Ų13599.1 Ų99.159%0.58751%0.511SS*.EExtended strand (participates in β ladder)trans-71.3122.6169.5-168.1173.5-178.6175.40111M21 H60M21-K93 HydrophobicContact CE-CB 4.12Å; M21-K93 VanDerWaalsContact CE-N 3.34Å; M21-K93 HydrophobicContact SD-CB 4.43Å; H60-K93 CarbonylContact O-C 3.55Å; H60-K93 WeakPolarHBondContact O-CA 3.46Å
94K76.6Confident69.5Low90 Ų90102.7 Ų102.739%0.39154%0.543SS..PPolyproline II helixtrans-69.4143.1172.1-62.7-172.9-167.6160.70109.9T59 H60 K62 I92T59-K94 WeakPolarHBondContact O-CD 3.23Å; T59-K94 PolarHBondContact O-NZ 3.2Å; T59-K94 VanDerWaalsContact O-NZ 3.15Å; H60-K94 PolarHBondContact O-N 2.94Å; K62-K94 HydrophobicContact CD-CG 4.47Å; K62-K94 HydrophobicContact CG-CG 4.28Å; I92-K94 PolarHBondContact O-N 3.33Å
95R64.9Low67.6Low236 Ų236100.9 Ų100.989%0.89154%0.54SS*.PPolyproline II helixtrans-64.3126.8169.4-172.5178.9-70.7176.7-2.1108.4
96P56.4Low65.8Low87 Ų87102 Ų10257%0.56555%0.549SS*.PPolyproline II helixtrans-62.5141.6176.422.9-29.6000110.1
97P52.2Low64.1Low102 Ų102100.5 Ų100.566%0.66256%0.557SS**PPolyproline II helixtrans-61.4146171.326.1-32000109.5T99P97-T99 PolarHBondContact O-N 3.06Å
98P46.7Very low62.1Low126 Ų126102.9 Ų102.982%0.81858%0.576SS**PPolyproline II helixtrans-57125.7176.923.7-31.7000109.2
99T50.7Low60.1Low128 Ų128104.4 Ų104.479%0.78558%0.582SS**PPolyproline II helixtrans-66131.2177.8460000109.2P97P97-T99 PolarHBondContact O-N 3.06Å
100P49.9Very low58Low109 Ų109110.7 Ų110.771%0.70861%0.611SS**PPolyproline II helixtrans-59.2142.9172.824.1-31.5000109.7K102P100-K102 PolarHBondContact O-N 3.46Å
101P49.2Very low55.9Low122 Ų122117.6 Ų117.679%0.79264%0.639SS**PPolyproline II helixtrans-60.3134.2-177.923.6-31.4000110.3
102K48.3Very low53.9Low183 Ų183124.3 Ų124.380%0.79667%0.668SS**PPolyproline II helixtrans-75.2145.3176.5-73.7179.1178.3176.60109.7P100 A104 D105P100-K102 PolarHBondContact O-N 3.46Å; K102-A104 PolarHBondContact O-N 3.41Å; K102-D105 PolarHBondContact O-N 3.44Å
103M50Low52.1Low181 Ų181128.7 Ų128.789%0.89269%0.685SS**THydrogen-bonded Turntrans-5811.6-176.6-64.6-175.8-73.100116.9V106M103-V106 VanDerWaalsContact O-CG2 3.32Å; M103-V106 WeakPolarHBondContact O-CG2 3.42Å
104A47Very low50.4Low87 Ų87131.7 Ų131.772%0.71970%0.701SS**THydrogen-bonded Turntrans-96.3-18.617700000113.4K102K102-A104 PolarHBondContact O-N 3.41Å
105D44.6Very low48.9Very low109 Ų109134.4 Ų134.458%0.58372%0.72SS**G310 helixtrans-89.2-1.2179.5-84.1-41.8000114.1K102 S107 S108K102-D105 PolarHBondContact O-N 3.44Å; D105-S107 PolarHBondContact O-N 2.86Å; D105-S108 PolarHBondContact O-OG 3.28Å
106V45.4Very low48Very low99 Ų99128.6 Ų128.660%0.671%0.711SS**G310 helixtrans-70.8-16.7-176.7-133.30000113.4M103M103-V106 VanDerWaalsContact O-CG2 3.32Å; M103-V106 WeakPolarHBondContact O-CG2 3.42Å
107S50.4Low48Very low111 Ų111133.7 Ų133.778%0.77672%0.724SS**G310 helixtrans-86.1-21.1-177-167.40000113.7D105D105-S107 PolarHBondContact O-N 2.86Å
108S47.1Very low48.2Very low82 Ų82132.8 Ų132.857%0.57373%0.726SS**THydrogen-bonded Turntrans-84.3-19175.6150000113.6D105D105-S108 PolarHBondContact O-OG 3.28Å
109D47.2Very low49.1Very low94 Ų94131.1 Ų131.150%0.50371%0.714SS.*SBendtrans-88.4-15.9-175.5-104.5-69.6000114.6K111 K112 K113D109-K111 PolarHBondContact O-N 2.9Å; D109-K111 VanDerWaalsContact O-N 3.15Å; D109-K112 PolarHBondContact O-N 3.43Å; D109-K113 PolarHBondContact O-N 2.86Å
110E47.1Very low49.9Very low131 Ų131130.6 Ų130.661%0.61271%0.707SS**THydrogen-bonded Turntrans-66.1-19178.3-72.9-139101.600113.7K112 K113E110-K112 VanDerWaalsContact C-N 3.33Å; E110-K113 IonicContact OE1-NZ 3.41Å; E110-K113 PolarHBondContact OE1-NZ 3.32Å
111K44Very low50.9Low205 Ų205131.4 Ų131.489%0.89170%0.699SS**THydrogen-bonded Turntrans-84.6-6.4172.7-133.5171-175.8174.60113.6D109D109-K111 PolarHBondContact O-N 2.9Å; D109-K111 VanDerWaalsContact O-N 3.15Å
112K47.2Very low52Low147 Ų147129.8 Ų129.864%0.63968%0.684SS**THydrogen-bonded Turntrans-106.4-3176.5-96.7-177173.7-178.70114.1D109 E110 Q114 D115D109-K112 PolarHBondContact O-N 3.43Å; E110-K112 VanDerWaalsContact C-N 3.33Å; K112-Q114 PolarHBondContact O-N 3.02Å; K112-D115 PolarHBondContact O-N 3.3Å; K112-D115 VanDerWaalsContact O-N 3.11Å
113K46.3Very low53.5Low139 Ų139124.9 Ų124.960%0.60467%0.669SS**THydrogen-bonded Turntrans-62.5-9179.1-107.2176.9-178.3172.30115.5D109 E110D109-K113 PolarHBondContact O-N 2.86Å; E110-K113 IonicContact OE1-NZ 3.41Å; E110-K113 PolarHBondContact OE1-NZ 3.32Å
114Q46.3Very low54.8Low197 Ų197120 Ų12092%0.92165%0.646SS**THydrogen-bonded Turntrans-84.8-10.9175.4-132.8172.111.300113.2K112K112-Q114 PolarHBondContact O-N 3.02Å
115D45.3Very low56.2Low147 Ų147120.7 Ų120.779%0.78664%0.637SS**SBendtrans-106.8-2-177.2-103.1-41.6000114.5K112 K117K112-D115 PolarHBondContact O-N 3.3Å; K112-D115 VanDerWaalsContact O-N 3.11Å; D115-K117 VanDerWaalsContact C-N 3.29Å; D115-K117 PolarHBondContact O-N 2.96Å
116T47.6Very low57.9Low115 Ų115122.4 Ų122.471%0.70664%0.64SS**  trans-92.452.5177.954.70000112
117K55.4Low59.5Low193 Ų193121 Ų12184%0.83964%0.638SS**PPolyproline II helixtrans-82.7128.3158-165.4171.1-177.4-179.80106.6D115D115-K117 VanDerWaalsContact C-N 3.29Å; D115-K117 PolarHBondContact O-N 2.96Å
118A56Low60.8Low84 Ų84118.6 Ų118.669%0.69462%0.619SS**PPolyproline II helixtrans-49.8137.4173.800000109.3D120A118-D120 PolarHBondContact O-N 2.86Å
119P66.9Low62.2Low90 Ų90118.7 Ų118.758%0.58463%0.625SS**PPolyproline II helixtrans-58.5133.2-177.918.6-27.2000109.9I124P119-I124 HydrophobicContact CB-CG1 4.08Å; P119-I124 HydrophobicContact CG-CD1 4.21Å; P119-I124 HydrophobicContact CG-CG1 4.12Å; P119-I124 WeakPolarHBondContact O-CD1 3.23Å
120D66.4Low63.6Low118 Ų118119.3 Ų119.363%0.63164%0.636SS**PPolyproline II helixtrans-62.3146.3-175.3-157.95.9000110.7A118 D122 T123 I124A118-D120 PolarHBondContact O-N 2.86Å; D120-D122 PolarHBondContact O-N 3.44Å; D120-T123 WeakPolarHBondContact O-CA 3.39Å; D120-T123 VanDerWaalsContact O-CB 3.3Å; D120-T123 WeakPolarHBondContact O-CB 3.5Å; D120-T123 PolarHBondContact O-N 3.32Å; D120-I124 PolarHBondContact O-N 2.85Å; D120-I124 VanDerWaalsContact O-N 3.1Å
121K70.7Confident65.2Low125 Ų125119 Ų11954%0.54364%0.638SS.*Hα-helixtrans-52.3-36.6-172.3-173.1173.8-178.3172.40112.2I124 L125K121-I124 PolarHBondContact O-N 3.36Å; K121-L125 HydrophobicContact CG-CD1 4.43Å; K121-L125 WeakPolarHBondContact O-CG 3.25Å; K121-L125 PolarHBondContact O-N 3.15Å
122D73Confident66.5Low88 Ų88114.3 Ų114.347%0.47163%0.631SS.*Hα-helixtrans-72.6-28.9179.3-158.940.2000113.3D120 K126D120-D122 PolarHBondContact O-N 3.44Å; D122-K126 WeakPolarHBondContact O-CG 3.43Å; D122-K126 PolarHBondContact O-N 3.04Å; D122-K126 IonicContact OD2-NZ 2.67Å; D122-K126 PolarHBondContact OD2-NZ 3.46Å
123T79.2Confident67.4Low80 Ų80113.3 Ų113.349%0.49164%0.638SS.*Hα-helixtrans-73.9-40174.4-51.70000110.6D120 K126 A127D120-T123 WeakPolarHBondContact O-CA 3.39Å; D120-T123 VanDerWaalsContact O-CB 3.3Å; D120-T123 WeakPolarHBondContact O-CB 3.5Å; D120-T123 PolarHBondContact O-N 3.32Å; T123-K126 PolarHBondContact O-N 2.88Å; T123-A127 WeakPolarHBondContact O-CB 3.23Å; T123-A127 PolarHBondContact O-N 3.42Å
124I76.8Confident68Low79 Ų79116.9 Ų116.941%0.40565%0.647SS.*Hα-helixtrans-61.8-48.8175.2-61172.9000109.6P119 D120 K121 K126 A127 T128P119-I124 HydrophobicContact CB-CG1 4.08Å; P119-I124 HydrophobicContact CG-CD1 4.21Å; P119-I124 HydrophobicContact CG-CG1 4.12Å; P119-I124 WeakPolarHBondContact O-CD1 3.23Å; D120-I124 PolarHBondContact O-N 2.85Å; D120-I124 VanDerWaalsContact O-N 3.1Å; K121-I124 PolarHBondContact O-N 3.36Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 3.46Å; I124-A127 PolarHBondContact O-N 3.37Å; I124-A127 VanDerWaalsContact O-N 3.14Å; I124-T128 HydrophobicContact CG2-CG2 4.15Å; I124-T128 WeakPolarHBondContact O-CB 3.24Å; I124-T128 WeakPolarHBondContact O-CG2 3.28Å; I124-T128 PolarHBondContact O-N 3.41Å; I124-T128 PolarHBondContact O-OG1 2.93Å
125L76.5Confident68.1Low102 Ų102115.7 Ų115.753%0.53464%0.642SS.*Hα-helixtrans-58.6-40.8178.6-75.7164.6000112.7K121 A129K121-L125 HydrophobicContact CG-CD1 4.43Å; K121-L125 WeakPolarHBondContact O-CG 3.25Å; K121-L125 PolarHBondContact O-N 3.15Å; L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 3.25Å; L125-A129 VanDerWaalsContact O-N 3.07Å
126K82.1Confident68.4Low144 Ų144113.6 Ų113.663%0.62663%0.634SS**Hα-helixtrans-67.3-40.1175.6-75.5169.7-172151.50112.5D122 T123 I124D122-K126 WeakPolarHBondContact O-CG 3.43Å; D122-K126 PolarHBondContact O-N 3.04Å; D122-K126 IonicContact OD2-NZ 2.67Å; D122-K126 PolarHBondContact OD2-NZ 3.46Å; T123-K126 PolarHBondContact O-N 2.88Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 3.46Å
127A78.4Confident68.2Low69 Ų69116.2 Ų116.257%0.5764%0.638SS**Hα-helixtrans-73.6-28.7-18000000113T123 I124T123-A127 WeakPolarHBondContact O-CB 3.23Å; T123-A127 PolarHBondContact O-N 3.42Å; I124-A127 PolarHBondContact O-N 3.37Å; I124-A127 VanDerWaalsContact O-N 3.14Å
128T77.2Confident67.7Low62 Ų62117.1 Ų117.138%0.3864%0.637SS.*Hα-helixtrans-95.3-7.5-179.459.70000113.9I124 S130 L131I124-T128 HydrophobicContact CG2-CG2 4.15Å; I124-T128 WeakPolarHBondContact O-CB 3.24Å; I124-T128 WeakPolarHBondContact O-CG2 3.28Å; I124-T128 PolarHBondContact O-N 3.41Å; I124-T128 PolarHBondContact O-OG1 2.93Å; T128-S130 PolarHBondContact O-N 3.17Å; T128-S130 VanDerWaalsContact O-N 3.09Å; T128-L131 HydrophobicContact CG2-CD1 4.37Å; T128-L131 WeakPolarHBondContact O-CB 3.31Å; T128-L131 PolarHBondContact O-N 3.47Å
129A77.6Confident67.1Low83 Ų83118.1 Ų118.169%0.68663%0.634SS**THydrogen-bonded Turntrans-56.4-27.3-179.300000114.7L125L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 3.25Å; L125-A129 VanDerWaalsContact O-N 3.07Å
130S76.6Confident66Low107 Ų107117.2 Ų117.275%0.74863%0.626SS**THydrogen-bonded Turntrans-89.3-2.9179.4590000114.1T128T128-S130 PolarHBondContact O-N 3.17Å; T128-S130 VanDerWaalsContact O-N 3.09Å
131L79.6Confident64.8Low125 Ų125117 Ų11765%0.65463%0.629SS**SBendtrans-95.1127.7-177.5-60176000109.9T128T128-L131 HydrophobicContact CG2-CD1 4.37Å; T128-L131 WeakPolarHBondContact O-CB 3.31Å; T128-L131 PolarHBondContact O-N 3.47Å
132S71.4Confident63.4Low106 Ų106115.4 Ų115.474%0.74162%0.624SS**PPolyproline II helixtrans-71.2130.9169.3-48.70000109.4R134S132-R134 PolarHBondContact O-N 2.85Å; S132-R134 VanDerWaalsContact O-N 3.14Å
133T66Low62.1Low126 Ų126117.5 Ų117.577%0.77363%0.631SS**PPolyproline II helixtrans-55.4118.6173.7-6.30000109.4T136T133-T136 HydrophobicContact CG2-CG2 3.98Å
134R59.8Low60.6Low214 Ų214120.5 Ų120.581%0.80864%0.644SS**  trans-122.9138.2173.4-81.9-173.9162.7-166.7-4.3107.9S132S132-R134 PolarHBondContact O-N 2.85Å; S132-R134 VanDerWaalsContact O-N 3.14Å
135H48.2Very low59Low173 Ų173124.5 Ų124.580%0.80166%0.664SS**  trans70.747-176.5-48.9-77.5000115.2E137H135-E137 PolarHBondContact O-N 3.48Å
136T51.8Low57.8Low102 Ų102123.5 Ų123.563%0.62665%0.654SS**THydrogen-bonded Turntrans-68-22.2166.451.60000112.4T133 R138T133-T136 HydrophobicContact CG2-CG2 3.98Å; T136-R138 PolarHBondContact O-N 2.79Å
137E42.5Very low56.8Low171 Ų171118.2 Ų118.280%0.79963%0.632SS**THydrogen-bonded Turntrans-98.252.3176.3-71.8-168.4152.300111.8H135 T139H135-E137 PolarHBondContact O-N 3.48Å; E137-T139 PolarHBondContact O-N 2.99Å
138R45Very low56.3Low212 Ų212116.9 Ų116.980%0.861%0.614SS**  trans-9159.5143.6-150.3-172.4-176.3-159.9-0.7107.3T136 V140T136-R138 PolarHBondContact O-N 2.79Å; R138-V140 HydrophobicContact CG-CG2 3.79Å; R138-V140 PolarHBondContact O-N 2.92Å
139T44.1Very low55.7Low104 Ų104118.2 Ų118.264%0.63862%0.615SS**  trans-59.384146.921.90000104.9E137 T141E137-T139 PolarHBondContact O-N 2.99Å; T139-T141 PolarHBondContact O-N 3.33Å
140V43.5Very low55.2Low71 Ų71116.8 Ų116.843%0.4360%0.598SS.*  trans-59.994.8154.3-175.10000102.3R138 Q142R138-V140 HydrophobicContact CG-CG2 3.79Å; R138-V140 PolarHBondContact O-N 2.92Å; V140-Q142 HydrophobicContact CG1-CG 3.72Å; V140-Q142 PolarHBondContact O-N 3.4Å
141T40.8Very low55.2Low113 Ų113114.3 Ų114.369%0.69358%0.575SS**  trans-62.379.8164.848.10000105.5T139 H143T139-T141 PolarHBondContact O-N 3.33Å; T141-H143 PolarHBondContact O-N 3.41Å
142Q41.6Very low55.3Low92 Ų92108.6 Ų108.643%0.4355%0.545SS..  trans-70.553.1158-69.7-173-3.800107.5V140 R146V140-Q142 HydrophobicContact CG1-CG 3.72Å; V140-Q142 PolarHBondContact O-N 3.4Å; Q142-R146 VanDerWaalsContact OE1-NH1 3.07Å
143H46.2Very low55.7Low132 Ų132105.3 Ų105.361%0.61152%0.516SS*.  trans-101.887.9-179-134.668.6000105.7T141 D147T141-H143 PolarHBondContact O-N 3.41Å; H143-D147 IonicContact CD2-OD1 3.22Å; H143-D147 IonicContact CD2-OD2 3.83Å; H143-D147 PolarHBondContact CD2-OD2 3.03Å; H143-D147 IonicContact CE1-OD1 3.68Å; H143-D147 PolarHBondContact CE1-OD1 3.14Å; H143-D147 IonicContact CG-OD1 2.67Å; H143-D147 IonicContact CG-OD2 2.9Å; H143-D147 IonicContact ND1-OD1 2.82Å; H143-D147 PolarHBondContact ND1-OD1 3.3Å; H143-D147 IonicContact NE2-OD1 3.87Å; H143-D147 IonicContact NE2-OD2 3.86Å
144N47.3Very low56.5Low144 Ų144102.1 Ų102.177%0.7749%0.492SS*.SBendtrans-173.9-12.4154-117.2-74.3000116.2
145I43.7Very low57.8Low162 Ų16291.9 Ų91.983%0.83145%0.453SS*.SBendtrans-121.5-18.1174-72.7163.2000111.7
146R50.4Low59.7Low82 Ų8283.8 Ų83.831%0.30942%0.416SS..SBendtrans-85.6-20.2179.7-89.8177.3147.2-178.3-15114.1Q142 F148 Q149 T150 N329Q142-R146 VanDerWaalsContact OE1-NH1 3.07Å; R146-F148 PolarHBondContact O-N 2.84Å; R146-Q149 PolarHBondContact O-N 3.28Å; R146-T150 HydrophobicContact CB-CG2 3.91Å; R146-T150 HydrophobicContact CG-CG2 4.28Å; R146-T150 WeakPolarHBondContact O-CB 3.37Å; R146-T150 VanDerWaalsContact O-CG2 3.29Å; R146-T150 WeakPolarHBondContact O-CG2 3.31Å; R146-T150 PolarHBondContact O-N 2.77Å; R146-T150 PolarHBondContact O-OG1 2.98Å; R146-N329 PolarHBondContact NH2-OD1 3.28Å
147D61.3Low61.4Low33 Ų3379.8 Ų79.818%0.17639%0.391CS..Hα-helixtrans-64.6-45.3-163.8-52.5-27.2000114.5H143 T150 E151H143-D147 IonicContact CD2-OD1 3.22Å; H143-D147 IonicContact CD2-OD2 3.83Å; H143-D147 PolarHBondContact CD2-OD2 3.03Å; H143-D147 IonicContact CE1-OD1 3.68Å; H143-D147 PolarHBondContact CE1-OD1 3.14Å; H143-D147 IonicContact CG-OD1 2.67Å; H143-D147 IonicContact CG-OD2 2.9Å; H143-D147 IonicContact ND1-OD1 2.82Å; H143-D147 PolarHBondContact ND1-OD1 3.3Å; H143-D147 IonicContact NE2-OD1 3.87Å; H143-D147 IonicContact NE2-OD2 3.86Å; D147-T150 PolarHBondContact O-OG1 3.34Å; D147-E151 VanDerWaalsContact O-CB 3.29Å; D147-E151 WeakPolarHBondContact O-CB 3.35Å; D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.4Å
148F67.1Low63.6Low41 Ų4172 Ų7218%0.1836%0.355CS..Hα-helixtrans-72.8-41.9173.1-179.5-114.7000111.6R146 T150 E151 L152 I155 F414R146-F148 PolarHBondContact O-N 2.84Å; F148-T150 VanDerWaalsContact C-N 3.33Å; F148-T150 PolarHBondContact O-N 2.69Å; F148-E151 PolarHBondContact O-N 3.28Å; F148-L152 HydrophobicContact CE1-CB 4.34Å; F148-L152 HydrophobicContact CE1-CD1 4.18Å; F148-L152 HydrophobicContact CE1-CD2 4.01Å; F148-L152 HydrophobicContact CE1-CG 4.41Å; F148-L152 HydrophobicContact CE2-CB 4.45Å; F148-L152 HydrophobicContact CE2-CD1 4.29Å; F148-L152 HydrophobicContact CZ-CB 4.33Å; F148-L152 HydrophobicContact CZ-CD1 3.74Å; F148-L152 HydrophobicContact CZ-CD2 4.42Å; F148-L152 HydrophobicContact CZ-CG 4.39Å; F148-L152 WeakPolarHBondContact O-CA 3.5Å; F148-L152 WeakPolarHBondContact O-CB 3.36Å; F148-L152 PolarHBondContact O-N 3.48Å; F148-I155 HydrophobicContact CE2-CD1 4.24Å; F148-F414 HydrophobicContact CB-CD1 4.04Å; F148-F414 HydrophobicContact CB-CE1 3.74Å; F148-F414 HydrophobicContact CB-CZ 4.47Å; F148-F414 HydrophobicContact CD2-CB 4Å; F148-F414 AromaticContact CD2-CD1 3.36Å; F148-F414 HydrophobicContact CD2-CD1 3.36Å; F148-F414 HydrophobicContact CD2-CD2 4.15Å; F148-F414 AromaticContact CD2-CE1 3.76Å; F148-F414 HydrophobicContact CD2-CE1 3.76Å; F148-F414 HydrophobicContact CD2-CE2 4.49Å; F148-F414 AromaticContact CD2-CG 3.56Å; F148-F414 HydrophobicContact CD2-CG 3.56Å; F148-F414 HydrophobicContact CD2-CZ 4.31Å; F148-F414 HydrophobicContact CE2-CB 3.96Å; F148-F414 HydrophobicContact CE2-CD1 4.2Å; F148-F414 AromaticContact CE2-CG 4Å; F148-F414 HydrophobicContact CE2-CG 4Å; F148-F414 HydrophobicContact CG-CD1 4.1Å; F148-F414 HydrophobicContact CG-CE1 4.24Å
149Q65.4Low65.7Low89 Ų8961.9 Ų61.942%0.41632%0.317SS..Hα-helixtrans-65.4-35.5-177.3-73.3-69.2-7.600112.6R146R146-Q149 PolarHBondContact O-N 3.28Å
150T66.7Low67.8Low54 Ų5457.5 Ų57.533%0.33129%0.29SS..Hα-helixtrans-74.5-37.3175.955.40000112.2R146 D147 F148R146-T150 HydrophobicContact CB-CG2 3.91Å; R146-T150 HydrophobicContact CG-CG2 4.28Å; R146-T150 WeakPolarHBondContact O-CB 3.37Å; R146-T150 VanDerWaalsContact O-CG2 3.29Å; R146-T150 WeakPolarHBondContact O-CG2 3.31Å; R146-T150 PolarHBondContact O-N 2.77Å; R146-T150 PolarHBondContact O-OG1 2.98Å; D147-T150 PolarHBondContact O-OG1 3.34Å; F148-T150 VanDerWaalsContact C-N 3.33Å; F148-T150 PolarHBondContact O-N 2.69Å
151E76.6Confident69.7Low55 Ų5558.8 Ų58.826%0.25729%0.291SS..Hα-helixtrans-82-24.1177.9-66.4-61.8118.700112.5D147 F148 R153 K154 I155 F414D147-E151 VanDerWaalsContact O-CB 3.29Å; D147-E151 WeakPolarHBondContact O-CB 3.35Å; D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.4Å; F148-E151 PolarHBondContact O-N 3.28Å; E151-R153 PolarHBondContact O-N 2.89Å; E151-K154 PolarHBondContact O-N 2.96Å; E151-K154 VanDerWaalsContact O-N 3.08Å; E151-K154 IonicContact OE1-NZ 3.14Å; E151-K154 PolarHBondContact OE1-NZ 3.14Å; E151-K154 IonicContact OE2-NZ 2.99Å; E151-I155 WeakPolarHBondContact O-CG1 3.37Å; E151-I155 PolarHBondContact O-N 2.82Å; E151-F414 HydrophobicContact CB-CE2 3.69Å; E151-F414 HydrophobicContact CB-CZ 3.92Å; E151-F414 HydrophobicContact CG-CE2 4.16Å; E151-F414 HydrophobicContact CG-CZ 4.16Å
152L81.6Confident72Confident5 Ų554.8 Ų54.83%0.02627%0.267CS..Hα-helixtrans-57.4-40.1177.2173.861.1000110.1F148 K154 I155 L156 M387 M407F148-L152 HydrophobicContact CE1-CB 4.34Å; F148-L152 HydrophobicContact CE1-CD1 4.18Å; F148-L152 HydrophobicContact CE1-CD2 4.01Å; F148-L152 HydrophobicContact CE1-CG 4.41Å; F148-L152 HydrophobicContact CE2-CB 4.45Å; F148-L152 HydrophobicContact CE2-CD1 4.29Å; F148-L152 HydrophobicContact CZ-CB 4.33Å; F148-L152 HydrophobicContact CZ-CD1 3.74Å; F148-L152 HydrophobicContact CZ-CD2 4.42Å; F148-L152 HydrophobicContact CZ-CG 4.39Å; F148-L152 WeakPolarHBondContact O-CA 3.5Å; F148-L152 WeakPolarHBondContact O-CB 3.36Å; F148-L152 PolarHBondContact O-N 3.48Å; L152-K154 PolarHBondContact O-N 3.14Å; L152-I155 WeakPolarHBondContact O-CB 3.23Å; L152-I155 PolarHBondContact O-N 3.27Å; L152-L156 HydrophobicContact CD1-CD1 4Å; L152-L156 HydrophobicContact CD1-CD2 4.19Å; L152-L156 HydrophobicContact CD1-CG 3.77Å; L152-L156 HydrophobicContact CD2-CD1 4.45Å; L152-L156 HydrophobicContact CG-CD1 3.85Å; L152-L156 HydrophobicContact CG-CG 4.1Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 VanDerWaalsContact O-CG 3.27Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.38Å; L152-M387 HydrophobicContact CD2-CE 4.17Å; L152-M407 HydrophobicContact CD1-CE 3.78Å; L152-M407 HydrophobicContact CD2-CE 4.26Å
153R80.3Confident74.2Confident37 Ų3750.4 Ų50.414%0.1425%0.246CC..Hα-helixtrans-56.3-50175.4-160.8178.1-141-87.1-7.8112E151 I155 L156 V157 L351 D352 L388E151-R153 PolarHBondContact O-N 2.89Å; R153-I155 VanDerWaalsContact C-N 3.31Å; R153-I155 PolarHBondContact O-N 3.25Å; R153-L156 PolarHBondContact O-N 3.03Å; R153-V157 VanDerWaalsContact O-CG2 3.31Å; R153-V157 WeakPolarHBondContact O-CG2 3.35Å; R153-V157 PolarHBondContact O-N 2.74Å; R153-L351 PolarHBondContact NH1-O 3.4Å; R153-D352 IonicContact NH1-OD1 3.98Å; R153-D352 PolarHBondContact NH1-OD1 3.27Å; R153-L388 HydrophobicContact CB-CD2 4.26Å; R153-L388 HydrophobicContact CG-CD2 3.46Å; R153-L388 VanDerWaalsContact CG-CD2 3.46Å; R153-L388 PolarHBondContact NH2-O 2.86Å; R153-L388 WeakPolarHBondContact O-CD2 3.45Å
154K82.7Confident76Confident58 Ų5846.4 Ų46.425%0.25223%0.228SC..Hα-helixtrans-64.4-37.9179-58.6178.5-174.4158.70111.7E151 L152 S158 G354 I355E151-K154 PolarHBondContact O-N 2.96Å; E151-K154 VanDerWaalsContact O-N 3.08Å; E151-K154 IonicContact OE1-NZ 3.14Å; E151-K154 PolarHBondContact OE1-NZ 3.14Å; E151-K154 IonicContact OE2-NZ 2.99Å; L152-K154 PolarHBondContact O-N 3.14Å; K154-S158 PolarHBondContact O-N 3.4Å; K154-S158 PolarHBondContact O-OG 3.45Å; K154-G354 WeakPolarHBondContact O-CA 3.49Å; K154-I355 HydrophobicContact CB-CG2 4.35Å; K154-I355 PolarHBondContact O-N 3.05Å
155I87.9Confident77.8Confident0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-61.1-53.2174.7-65.8161.5000110.2F148 E151 L152 R153 V157 S158 L159 I355 L361 I365 I410 F414F148-I155 HydrophobicContact CE2-CD1 4.24Å; E151-I155 WeakPolarHBondContact O-CG1 3.37Å; E151-I155 PolarHBondContact O-N 2.82Å; L152-I155 WeakPolarHBondContact O-CB 3.23Å; L152-I155 PolarHBondContact O-N 3.27Å; R153-I155 VanDerWaalsContact C-N 3.31Å; R153-I155 PolarHBondContact O-N 3.25Å; I155-V157 PolarHBondContact O-N 3.4Å; I155-S158 PolarHBondContact O-N 3.02Å; I155-S158 VanDerWaalsContact O-N 3.17Å; I155-L159 HydrophobicContact CG2-CD1 3.71Å; I155-L159 HydrophobicContact CG2-CG 4.18Å; I155-L159 WeakPolarHBondContact O-CG 3.29Å; I155-L159 PolarHBondContact O-N 3.4Å; I155-I355 HydrophobicContact CB-CD1 4.04Å; I155-I355 HydrophobicContact CG1-CD1 3.5Å; I155-I355 VanDerWaalsContact CG1-CD1 3.5Å; I155-I355 HydrophobicContact CG1-CG1 4.27Å; I155-I355 HydrophobicContact CG2-CD1 4.39Å; I155-L361 HydrophobicContact CD1-CD2 4.35Å; I155-I365 HydrophobicContact CG2-CD1 3.97Å; I155-I410 HydrophobicContact CG2-CG2 3.8Å; I155-F414 HydrophobicContact CD1-CD2 3.84Å; I155-F414 HydrophobicContact CD1-CE2 4.34Å
156L87.9Confident79.8Confident2 Ų241.5 Ų41.51%0.0120%0.196CC..Hα-helixtrans-60-45.5-179.7-69.7175.3000111.6L152 R153 S158 L159 I160 F384 M387 L388 M407L152-L156 HydrophobicContact CD1-CD1 4Å; L152-L156 HydrophobicContact CD1-CD2 4.19Å; L152-L156 HydrophobicContact CD1-CG 3.77Å; L152-L156 HydrophobicContact CD2-CD1 4.45Å; L152-L156 HydrophobicContact CG-CD1 3.85Å; L152-L156 HydrophobicContact CG-CG 4.1Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 VanDerWaalsContact O-CG 3.27Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.38Å; R153-L156 PolarHBondContact O-N 3.03Å; L156-S158 PolarHBondContact O-N 3.34Å; L156-L159 PolarHBondContact O-N 2.67Å; L156-I160 WeakPolarHBondContact O-CB 3.37Å; L156-I160 WeakPolarHBondContact O-CD1 3.27Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.04Å; L156-F384 HydrophobicContact CD2-CB 3.91Å; L156-F384 HydrophobicContact CD2-CD1 3.54Å; L156-F384 HydrophobicContact CD2-CD2 4.23Å; L156-F384 HydrophobicContact CD2-CE1 4.06Å; L156-F384 HydrophobicContact CD2-CG 3.64Å; L156-M387 HydrophobicContact CD1-CB 3.82Å; L156-M387 HydrophobicContact CD1-CE 4.38Å; L156-L388 HydrophobicContact CB-CD1 4.38Å; L156-L388 HydrophobicContact CB-CD2 3.61Å; L156-L388 HydrophobicContact CB-CG 3.75Å; L156-L388 HydrophobicContact CD1-CD2 4.13Å; L156-L388 HydrophobicContact CD1-CG 4.22Å; L156-M407 HydrophobicContact CD2-SD 4.24Å
157V86.1Confident81.4Confident19 Ų1937.6 Ų37.612%0.11518%0.181CC..Hα-helixtrans-51.6-46.2175.3168.80000111.1R153 I155 E161 L388R153-V157 VanDerWaalsContact O-CG2 3.31Å; R153-V157 WeakPolarHBondContact O-CG2 3.35Å; R153-V157 PolarHBondContact O-N 2.74Å; I155-V157 PolarHBondContact O-N 3.4Å; V157-E161 PolarHBondContact O-N 3.5Å; V157-L388 HydrophobicContact CG2-CD1 3.85Å; V157-L388 HydrophobicContact CG2-CD2 3.94Å
158S88.8Confident82.3Confident6 Ų637.1 Ų37.14%0.04218%0.182CC..Hα-helixtrans-73.5-37.5-177.3-44.90000112.5K154 I155 L156 E161 V162 G354 I355 F362K154-S158 PolarHBondContact O-N 3.4Å; K154-S158 PolarHBondContact O-OG 3.45Å; I155-S158 PolarHBondContact O-N 3.02Å; I155-S158 VanDerWaalsContact O-N 3.17Å; L156-S158 PolarHBondContact O-N 3.34Å; S158-E161 PolarHBondContact O-N 3.09Å; S158-V162 WeakPolarHBondContact O-CG2 3.36Å; S158-V162 PolarHBondContact O-N 2.86Å; S158-G354 WeakPolarHBondContact OG-CA 3.22Å; S158-I355 VanDerWaalsContact OG-CG1 3.3Å; S158-I355 WeakPolarHBondContact OG-CG1 3.25Å; S158-I355 PolarHBondContact OG-N 3.37Å; S158-F362 VanDerWaalsContact CB-CE2 3.46Å
159L89.6Confident82.9Confident0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-69.5-35.1177.9-70.8-179.1000112.3I155 L156 V162 A163 F362 I365 L366 L375 F384 I410I155-L159 HydrophobicContact CG2-CD1 3.71Å; I155-L159 HydrophobicContact CG2-CG 4.18Å; I155-L159 WeakPolarHBondContact O-CG 3.29Å; I155-L159 PolarHBondContact O-N 3.4Å; L156-L159 PolarHBondContact O-N 2.67Å; L159-V162 PolarHBondContact O-N 2.82Å; L159-A163 VanDerWaalsContact O-CB 3.32Å; L159-A163 WeakPolarHBondContact O-CB 3.31Å; L159-A163 PolarHBondContact O-N 2.65Å; L159-F362 HydrophobicContact CD2-CE2 4.33Å; L159-I365 HydrophobicContact CD1-CG2 4.19Å; L159-I365 HydrophobicContact CD2-CG2 3.84Å; L159-L366 HydrophobicContact CD2-CD2 4.13Å; L159-L375 HydrophobicContact CB-CD2 4.04Å; L159-L375 HydrophobicContact CD2-CD1 4.25Å; L159-L375 HydrophobicContact CD2-CD2 4.33Å; L159-F384 HydrophobicContact CB-CD2 4.24Å; L159-F384 HydrophobicContact CB-CE2 4.11Å; L159-F384 HydrophobicContact CD1-CE2 4.13Å; L159-F384 HydrophobicContact CD1-CZ 4.5Å; L159-I410 HydrophobicContact CD1-CD1 3.51Å; L159-I410 HydrophobicContact CD1-CG1 4.24Å
160I87.8Confident83.6Confident13 Ų1340.3 Ų40.37%0.06720%0.203CC..Hα-helixtrans-62.1-44.3174.7-72.3162.3000110.2L156 V162 A163 Q164 L381 F384 E385 L388L156-I160 WeakPolarHBondContact O-CB 3.37Å; L156-I160 WeakPolarHBondContact O-CD1 3.27Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.04Å; I160-V162 VanDerWaalsContact C-N 3.29Å; I160-V162 PolarHBondContact O-N 2.86Å; I160-A163 PolarHBondContact O-N 3.39Å; I160-Q164 HydrophobicContact CG2-CG 4.36Å; I160-Q164 WeakPolarHBondContact O-CB 3.35Å; I160-Q164 VanDerWaalsContact O-CG 3.23Å; I160-Q164 WeakPolarHBondContact O-CG 3.49Å; I160-Q164 PolarHBondContact O-N 2.86Å; I160-L381 HydrophobicContact CB-CD1 4Å; I160-L381 HydrophobicContact CG1-CD1 3.87Å; I160-L381 HydrophobicContact CG2-CD1 3.82Å; I160-F384 HydrophobicContact CD1-CB 3.95Å; I160-F384 HydrophobicContact CG1-CB 3.7Å; I160-F384 HydrophobicContact CG1-CD2 4.5Å; I160-E385 HydrophobicContact CD1-CG 3.94Å; I160-E385 HydrophobicContact CG1-CG 4.31Å; I160-E385 HydrophobicContact CG2-CG 4.25Å; I160-L388 HydrophobicContact CD1-CD1 3.19Å; I160-L388 HydrophobicContact CD1-CG 3.91Å
161E84.8Confident84.1Confident97 Ų9742.1 Ų42.145%0.45322%0.216SC..Hα-helixtrans-60.8-38.5175.9-70.1-175.8-179.500112.6V157 S158 K165V157-E161 PolarHBondContact O-N 3.5Å; S158-E161 PolarHBondContact O-N 3.09Å; E161-K165 WeakPolarHBondContact O-CG 3.36Å; E161-K165 PolarHBondContact O-N 3.24Å
162V88.6Confident84.2Confident30 Ų3044.4 Ų44.418%0.18223%0.23CC..Hα-helixtrans-70.6-47176.61760000111S158 L159 I160 Q164 K165 L166 F362 L366 L375S158-V162 WeakPolarHBondContact O-CG2 3.36Å; S158-V162 PolarHBondContact O-N 2.86Å; L159-V162 PolarHBondContact O-N 2.82Å; I160-V162 VanDerWaalsContact C-N 3.29Å; I160-V162 PolarHBondContact O-N 2.86Å; V162-Q164 VanDerWaalsContact C-N 3.34Å; V162-Q164 PolarHBondContact O-N 3.34Å; V162-K165 PolarHBondContact O-N 3.24Å; V162-K165 VanDerWaalsContact O-N 3.16Å; V162-L166 HydrophobicContact CG1-CD1 3.82Å; V162-L166 HydrophobicContact CG1-CG 4.2Å; V162-L166 WeakPolarHBondContact O-CG 3.48Å; V162-L166 PolarHBondContact O-N 3.46Å; V162-F362 HydrophobicContact CG2-CZ 3.76Å; V162-L366 HydrophobicContact CG1-CD2 4.04Å; V162-L375 HydrophobicContact CG1-CD1 4.1Å
163A87.6Confident84Confident0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-58.6-44.9177.700000111.4L159 I160 K165 L166 L167 L375 L381L159-A163 VanDerWaalsContact O-CB 3.32Å; L159-A163 WeakPolarHBondContact O-CB 3.31Å; L159-A163 PolarHBondContact O-N 2.65Å; I160-A163 PolarHBondContact O-N 3.39Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 3.17Å; A163-L166 PolarHBondContact O-N 2.86Å; A163-L167 HydrophobicContact CB-CD1 4.38Å; A163-L167 VanDerWaalsContact O-CB 3.27Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CD1 3.27Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.17Å; A163-L375 HydrophobicContact CB-CB 4.23Å; A163-L375 HydrophobicContact CB-CD2 3.87Å; A163-L381 HydrophobicContact CB-CB 4.45Å; A163-L381 HydrophobicContact CB-CD1 3.7Å; A163-L381 HydrophobicContact CB-CG 4.45Å
164Q84.8Confident83.7Confident48 Ų4843.2 Ų43.222%0.22423%0.227CC..Hα-helixtrans-58-43.7175.3-74.6174-3.400111.7I160 V162 A168 F293 L381 E385I160-Q164 HydrophobicContact CG2-CG 4.36Å; I160-Q164 WeakPolarHBondContact O-CB 3.35Å; I160-Q164 VanDerWaalsContact O-CG 3.23Å; I160-Q164 WeakPolarHBondContact O-CG 3.49Å; I160-Q164 PolarHBondContact O-N 2.86Å; V162-Q164 VanDerWaalsContact C-N 3.34Å; V162-Q164 PolarHBondContact O-N 3.34Å; Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 3.45Å; Q164-F293 HydrophobicContact CB-CE2 4.19Å; Q164-F293 HydrophobicContact CB-CZ 4.26Å; Q164-F293 HydrophobicContact CG-CD1 3.99Å; Q164-F293 HydrophobicContact CG-CD2 4.23Å; Q164-F293 HydrophobicContact CG-CE1 3.9Å; Q164-F293 HydrophobicContact CG-CE2 4.15Å; Q164-F293 HydrophobicContact CG-CG 4.18Å; Q164-F293 HydrophobicContact CG-CZ 3.99Å; Q164-L381 HydrophobicContact CG-CD1 4.37Å; Q164-L381 HydrophobicContact CG-CD2 3.85Å; Q164-E385 PolarHBondContact NE2-OE1 3.37Å
165K84.4Confident83.6Confident141 Ų14147.1 Ų47.161%0.61325%0.246SC*.Hα-helixtrans-65.5-42.8176.1-73.4170.4-173.9165.90112.3E161 V162 A163 A168 L169E161-K165 WeakPolarHBondContact O-CG 3.36Å; E161-K165 PolarHBondContact O-N 3.24Å; V162-K165 PolarHBondContact O-N 3.24Å; V162-K165 VanDerWaalsContact O-N 3.16Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 3.17Å; K165-A168 PolarHBondContact O-N 2.93Å; K165-L169 WeakPolarHBondContact O-CG 3.49Å
166L85.3Confident83.1Confident62 Ų6250.4 Ų50.433%0.32526%0.263SS..Hα-helixtrans-66.6-44.1178.9-70.5174.1000111.6V162 A163 A168 L169 L375V162-L166 HydrophobicContact CG1-CD1 3.82Å; V162-L166 HydrophobicContact CG1-CG 4.2Å; V162-L166 WeakPolarHBondContact O-CG 3.48Å; V162-L166 PolarHBondContact O-N 3.46Å; A163-L166 PolarHBondContact O-N 2.86Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-L169 WeakPolarHBondContact O-CB 3.36Å; L166-L169 PolarHBondContact O-N 3.41Å; L166-L375 HydrophobicContact CD1-CB 3.95Å; L166-L375 HydrophobicContact CD1-CD1 4.45Å
167L83.7Confident82.6Confident0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-68.1-34.1177.8-75.7153.9000111.4A163 L169 N170 A173 F177 T376 L381A163-L167 HydrophobicContact CB-CD1 4.38Å; A163-L167 VanDerWaalsContact O-CB 3.27Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CD1 3.27Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.17Å; L167-L169 PolarHBondContact O-N 3.3Å; L167-L169 VanDerWaalsContact O-N 3.16Å; L167-N170 WeakPolarHBondContact O-CB 3.34Å; L167-N170 PolarHBondContact O-N 2.8Å; L167-A173 WeakPolarHBondContact O-CB 3.17Å; L167-F177 HydrophobicContact CB-CE2 4.11Å; L167-F177 HydrophobicContact CB-CZ 4.25Å; L167-F177 HydrophobicContact CD1-CE2 4.4Å; L167-F177 HydrophobicContact CD1-CZ 3.75Å; L167-F177 HydrophobicContact CD2-CE2 4.44Å; L167-F177 HydrophobicContact CD2-CZ 4.44Å; L167-F177 HydrophobicContact CG-CZ 4.36Å; L167-T376 VanDerWaalsContact CD2-O 3.27Å; L167-T376 WeakPolarHBondContact CD2-O 3.43Å; L167-L381 HydrophobicContact CD1-CB 4.09Å; L167-L381 HydrophobicContact CD1-CD2 3.78Å
168A79.9Confident82.2Confident23 Ų2355.7 Ų55.719%0.1928%0.284CS..THydrogen-bonded Turntrans-65-14.3174.300000114.1Q164 K165 L166 Q286Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 3.45Å; K165-A168 PolarHBondContact O-N 2.93Å; L166-A168 VanDerWaalsContact C-N 3.34Å; A168-Q286 PolarHBondContact O-NE2 3.1Å
169L81.3Confident81.8Confident136 Ų13661.9 Ų61.971%0.71231%0.31SS*.THydrogen-bonded Turntrans-88.6-11.6173.4-62.1169.3000112.8K165 L166 L167K165-L169 WeakPolarHBondContact O-CG 3.49Å; L166-L169 WeakPolarHBondContact O-CB 3.36Å; L166-L169 PolarHBondContact O-N 3.41Å; L167-L169 PolarHBondContact O-N 3.3Å; L167-L169 VanDerWaalsContact O-N 3.16Å
170N79.7Confident81Confident60 Ų6062.2 Ų62.232%0.32131%0.314SS..  trans-86.3124.5179.3-68.9-32.3000110.1L167 D172 A173L167-N170 WeakPolarHBondContact O-CB 3.34Å; L167-N170 PolarHBondContact O-N 2.8Å; N170-D172 PolarHBondContact O-N 3.22Å; N170-A173 HydrophobicContact CB-CB 4.24Å; N170-A173 VanDerWaalsContact O-CB 3.26Å; N170-A173 WeakPolarHBondContact O-CB 3Å; N170-A173 PolarHBondContact O-N 3.08Å; N170-A173 VanDerWaalsContact O-N 3.17Å
171P76.2Confident80.3Confident92 Ų9263.5 Ų63.560%0.59732%0.321SS*.THydrogen-bonded Turntrans-62.9-27.6-177.721.8-30.6000113.2
172D79.4Confident79.9Confident104 Ų10461 Ų6156%0.55632%0.317SS*.THydrogen-bonded Turntrans-94.77.2-178.2-56.4-26.8000113.4N170 V174 E175 L176N170-D172 PolarHBondContact O-N 3.22Å; D172-V174 VanDerWaalsContact C-N 3.27Å; D172-V174 PolarHBondContact O-N 3.22Å; D172-E175 PolarHBondContact O-N 2.97Å; D172-E175 VanDerWaalsContact O-N 3.14Å; D172-L176 HydrophobicContact CB-CD1 4.31Å; D172-L176 HydrophobicContact CB-CG 4.43Å; D172-L176 WeakPolarHBondContact O-CG 3.29Å; D172-L176 PolarHBondContact O-N 3.44Å
173A76.8Confident78.8Confident0 Ų064.4 Ų64.40%033%0.331CS..Hα-helixtrans-55.9-39.5-171.800000113.5L167 N170 E175 L176 F177 L289L167-A173 WeakPolarHBondContact O-CB 3.17Å; N170-A173 HydrophobicContact CB-CB 4.24Å; N170-A173 VanDerWaalsContact O-CB 3.26Å; N170-A173 WeakPolarHBondContact O-CB 3Å; N170-A173 PolarHBondContact O-N 3.08Å; N170-A173 VanDerWaalsContact O-N 3.17Å; A173-E175 PolarHBondContact O-N 3.28Å; A173-L176 PolarHBondContact O-N 2.67Å; A173-F177 WeakPolarHBondContact O-CD2 3.32Å; A173-F177 PolarHBondContact O-N 3.32Å; A173-L289 HydrophobicContact CB-CD1 3.89Å; A173-L289 HydrophobicContact CB-CD2 3.94Å
174V74.8Confident77.8Confident16 Ų1664.8 Ų64.810%0.09733%0.334CS..Hα-helixtrans-61.8-42.5-179.1176.90000111.6D172 K178 L289 I292D172-V174 VanDerWaalsContact C-N 3.27Å; D172-V174 PolarHBondContact O-N 3.22Å; V174-K178 WeakPolarHBondContact O-CG 3.29Å; V174-K178 PolarHBondContact O-N 3.29Å; V174-L289 HydrophobicContact CB-CD2 4.34Å; V174-L289 HydrophobicContact CG2-CD1 4.31Å; V174-L289 HydrophobicContact CG2-CD2 3.58Å; V174-L289 HydrophobicContact CG2-CG 3.65Å; V174-I292 HydrophobicContact CG1-CD1 4.11Å
175E80.4Confident76.8Confident141 Ų14166.5 Ų66.566%0.65934%0.344SS*.Hα-helixtrans-72.1-39.7178.2-65.2-169.8170.100111.3D172 A173 F177 K178 K179D172-E175 PolarHBondContact O-N 2.97Å; D172-E175 VanDerWaalsContact O-N 3.14Å; A173-E175 PolarHBondContact O-N 3.28Å; E175-F177 VanDerWaalsContact C-N 3.33Å; E175-F177 PolarHBondContact O-N 2.84Å; E175-K178 PolarHBondContact O-N 2.77Å; E175-K179 WeakPolarHBondContact O-CB 3.45Å; E175-K179 PolarHBondContact O-N 3.17Å
176L78.1Confident75.6Confident69 Ų6965.7 Ų65.736%0.36134%0.343SS..Hα-helixtrans-59.2-41.2175.2-73.1176000112D172 A173 A180 P378D172-L176 HydrophobicContact CB-CD1 4.31Å; D172-L176 HydrophobicContact CB-CG 4.43Å; D172-L176 WeakPolarHBondContact O-CG 3.29Å; D172-L176 PolarHBondContact O-N 3.44Å; A173-L176 PolarHBondContact O-N 2.67Å; L176-A180 VanDerWaalsContact O-CB 3.27Å; L176-A180 WeakPolarHBondContact O-CB 3.41Å; L176-A180 PolarHBondContact O-N 3.12Å; L176-P378 HydrophobicContact CB-CG 4.05Å
177F75.6Confident74.1Confident0 Ų066.8 Ų66.80%035%0.349CS..Hα-helixtrans-68-40.8174.6-84.8-68.1000113.6L167 A173 E175 K179 A180 N181 L289 I292 F293 I296 P378 L381L167-F177 HydrophobicContact CB-CE2 4.11Å; L167-F177 HydrophobicContact CB-CZ 4.25Å; L167-F177 HydrophobicContact CD1-CE2 4.4Å; L167-F177 HydrophobicContact CD1-CZ 3.75Å; L167-F177 HydrophobicContact CD2-CE2 4.44Å; L167-F177 HydrophobicContact CD2-CZ 4.44Å; L167-F177 HydrophobicContact CG-CZ 4.36Å; A173-F177 WeakPolarHBondContact O-CD2 3.32Å; A173-F177 PolarHBondContact O-N 3.32Å; E175-F177 VanDerWaalsContact C-N 3.33Å; E175-F177 PolarHBondContact O-N 2.84Å; F177-K179 VanDerWaalsContact C-N 3.32Å; F177-K179 PolarHBondContact O-N 3.17Å; F177-A180 PolarHBondContact O-N 3.37Å; F177-N181 WeakPolarHBondContact O-CB 3.37Å; F177-N181 PolarHBondContact O-N 3.4Å; F177-N181 PolarHBondContact O-ND2 3.33Å; F177-L289 HydrophobicContact CD2-CD2 3.78Å; F177-L289 HydrophobicContact CE2-CD2 4.19Å; F177-I292 HydrophobicContact CB-CG2 4.28Å; F177-I292 HydrophobicContact CG-CG2 4.44Å; F177-F293 HydrophobicContact CD1-CE1 4.46Å; F177-F293 HydrophobicContact CD2-CE1 4.4Å; F177-F293 HydrophobicContact CD2-CZ 4.42Å; F177-F293 AromaticContact CE1-CE1 3.66Å; F177-F293 HydrophobicContact CE1-CE1 3.66Å; F177-F293 HydrophobicContact CE1-CZ 4.4Å; F177-F293 AromaticContact CE2-CE1 3.61Å; F177-F293 HydrophobicContact CE2-CE1 3.61Å; F177-F293 AromaticContact CE2-CZ 3.52Å; F177-F293 HydrophobicContact CE2-CZ 3.52Å; F177-F293 HydrophobicContact CZ-CD1 4.39Å; F177-F293 AromaticContact CZ-CE1 3.2Å; F177-F293 HydrophobicContact CZ-CE1 3.2Å; F177-F293 AromaticContact CZ-CZ 3.53Å; F177-F293 HydrophobicContact CZ-CZ 3.53Å; F177-I296 HydrophobicContact CD1-CD1 4.35Å; F177-P378 HydrophobicContact CD1-CB 4.02Å; F177-P378 HydrophobicContact CE1-CB 3.87Å; F177-P378 HydrophobicContact CG-CB 4.44Å; F177-P378 HydrophobicContact CZ-CB 4.15Å; F177-L381 HydrophobicContact CE1-CD2 3.84Å; F177-L381 HydrophobicContact CZ-CD2 3.65Å
178K78.8Confident72.7Confident131 Ų13171.9 Ų71.957%0.5737%0.373SS*.Hα-helixtrans-61.6-44176.8-73.8172.6-176.2172.60111V174 E175 A182V174-K178 WeakPolarHBondContact O-CG 3.29Å; V174-K178 PolarHBondContact O-N 3.29Å; E175-K178 PolarHBondContact O-N 2.77Å; K178-A182 WeakPolarHBondContact O-CB 3.07Å; K178-A182 PolarHBondContact O-N 3.39Å; K178-A182 VanDerWaalsContact O-N 3.13Å
179K79.4Confident71.4Confident136 Ų13677.1 Ų77.159%0.59139%0.393SS*.Hα-helixtrans-66.1-46.3177.3-172.9179.3179.1-176.30111.7E175 F177 A182 M183E175-K179 WeakPolarHBondContact O-CB 3.45Å; E175-K179 PolarHBondContact O-N 3.17Å; F177-K179 VanDerWaalsContact C-N 3.32Å; F177-K179 PolarHBondContact O-N 3.17Å; K179-A182 PolarHBondContact O-N 3.38Å; K179-M183 HydrophobicContact CG-SD 4.09Å; K179-M183 VanDerWaalsContact O-CG 3.32Å; K179-M183 WeakPolarHBondContact O-CG 3.19Å; K179-M183 PolarHBondContact O-N 3.3Å
180A74.3Confident70Confident8 Ų876.1 Ų76.17%0.06639%0.389CS..Hα-helixtrans-63.2-43.4-179.800000111.9L176 F177 A182 M183 L184 P378 L382L176-A180 VanDerWaalsContact O-CB 3.27Å; L176-A180 WeakPolarHBondContact O-CB 3.41Å; L176-A180 PolarHBondContact O-N 3.12Å; F177-A180 PolarHBondContact O-N 3.37Å; A180-A182 PolarHBondContact O-N 3.28Å; A180-M183 PolarHBondContact O-N 2.95Å; A180-L184 WeakPolarHBondContact O-CG 3.42Å; A180-L184 PolarHBondContact O-N 3.03Å; A180-P378 HydrophobicContact CB-CB 3.96Å; A180-P378 HydrophobicContact CB-CG 3.93Å; A180-L382 HydrophobicContact CB-CD1 3.66Å
181N73.1Confident69.1Low40 Ų4078.6 Ų78.621%0.21440%0.398CS..Hα-helixtrans-61-43.4174.7-78.6-21.7000112.2F177 M183 L184 D185 L382F177-N181 WeakPolarHBondContact O-CB 3.37Å; F177-N181 PolarHBondContact O-N 3.4Å; F177-N181 PolarHBondContact O-ND2 3.33Å; N181-M183 VanDerWaalsContact C-N 3.33Å; N181-M183 PolarHBondContact O-N 2.91Å; N181-L184 PolarHBondContact O-N 2.9Å; N181-D185 VanDerWaalsContact O-CG 3.25Å; N181-D185 PolarHBondContact O-N 3.22Å; N181-L382 VanDerWaalsContact OD1-CD1 3.23Å; N181-L382 WeakPolarHBondContact OD1-CD1 3.49Å; N181-L382 VanDerWaalsContact OD1-CD2 3.28Å; N181-L382 WeakPolarHBondContact OD1-CD2 3.29Å
182A75.8Confident68.6Low45 Ų4575.2 Ų75.237%0.37238%0.376SS..Hα-helixtrans-62.4-40.2177.900000112.3K178 K179 A180 D185 E186K178-A182 WeakPolarHBondContact O-CB 3.07Å; K178-A182 PolarHBondContact O-N 3.39Å; K178-A182 VanDerWaalsContact O-N 3.13Å; K179-A182 PolarHBondContact O-N 3.38Å; A180-A182 PolarHBondContact O-N 3.28Å; A182-D185 PolarHBondContact O-N 3.16Å; A182-E186 WeakPolarHBondContact O-CG 3.36Å; A182-E186 PolarHBondContact O-N 3.24Å
183M65.9Low68.1Low100 Ų10073.3 Ų73.349%0.49337%0.366SS..Hα-helixtrans-65.8-38.9176.7-67.1176.79800111.9K179 A180 N181 E186 D187K179-M183 HydrophobicContact CG-SD 4.09Å; K179-M183 VanDerWaalsContact O-CG 3.32Å; K179-M183 WeakPolarHBondContact O-CG 3.19Å; K179-M183 PolarHBondContact O-N 3.3Å; A180-M183 PolarHBondContact O-N 2.95Å; N181-M183 VanDerWaalsContact C-N 3.33Å; N181-M183 PolarHBondContact O-N 2.91Å; M183-E186 PolarHBondContact O-N 3.39Å; M183-D187 WeakPolarHBondContact O-CB 3.48Å; M183-D187 PolarHBondContact O-N 3.47Å
184L65.1Low68Low9 Ų979.8 Ų79.85%0.04740%0.396CS..Hα-helixtrans-71.4-35.5177.1-64.6-172.9000113.3A180 N181 E186 D187 E188 K379 L382 W397A180-L184 WeakPolarHBondContact O-CG 3.42Å; A180-L184 PolarHBondContact O-N 3.03Å; N181-L184 PolarHBondContact O-N 2.9Å; L184-E186 VanDerWaalsContact C-N 3.29Å; L184-D187 PolarHBondContact O-N 2.88Å; L184-E188 WeakPolarHBondContact O-CB 3.32Å; L184-E188 PolarHBondContact O-N 3.44Å; L184-K379 HydrophobicContact CD2-CG 4.38Å; L184-L382 HydrophobicContact CD1-CB 3.51Å; L184-L382 HydrophobicContact CD1-CD1 3.61Å; L184-L382 HydrophobicContact CD1-CG 4.16Å; L184-L382 HydrophobicContact CG-CD1 4.46Å; L184-W397 HydrophobicContact CD1-CH2 3.94Å; L184-W397 HydrophobicContact CD1-CZ2 4.47Å; L184-W397 HydrophobicContact CD2-CH2 3.51Å; L184-W397 HydrophobicContact CD2-CZ2 4.44Å; L184-W397 HydrophobicContact CD2-CZ3 4.24Å; L184-W397 HydrophobicContact CG-CH2 4.38Å
185D64.9Low68.2Low83 Ų8383 Ų8344%0.44442%0.416SS..Hα-helixtrans-64.3-36.9173.4-68.2-22000110.3N181 A182 E189N181-D185 VanDerWaalsContact O-CG 3.25Å; N181-D185 PolarHBondContact O-N 3.22Å; A182-D185 PolarHBondContact O-N 3.16Å; D185-E189 WeakPolarHBondContact O-CG 3.35Å; D185-E189 PolarHBondContact O-N 2.85Å
186E59.9Low68.1Low125 Ų12576.4 Ų76.458%0.58439%0.385SS*.Hα-helixtrans-69.8-41.5173.1-71.8175.2-175.700112.5A182 M183 L184 E189 D190A182-E186 WeakPolarHBondContact O-CG 3.36Å; A182-E186 PolarHBondContact O-N 3.24Å; M183-E186 PolarHBondContact O-N 3.39Å; L184-E186 VanDerWaalsContact C-N 3.29Å; E186-E189 PolarHBondContact O-N 3.32Å; E186-D190 PolarHBondContact O-N 3.25Å
187D53.1Low68.3Low85 Ų8573.9 Ų73.946%0.45537%0.372SS..Hα-helixtrans-67.9-36179.3-71.9-40.3000112.5M183 L184 E189 D190 H191M183-D187 WeakPolarHBondContact O-CB 3.48Å; M183-D187 PolarHBondContact O-N 3.47Å; L184-D187 PolarHBondContact O-N 2.88Å; D187-E189 VanDerWaalsContact C-N 3.31Å; D187-D190 PolarHBondContact O-N 3.26Å; D187-H191 PolarHBondContact O-N 2.94Å
188E55Low68.7Low107 Ų10778.7 Ų78.750%0.539%0.394SS..Hα-helixtrans-67.2-32.4172.2-80.9179.9-159.100111.7L184 R300L184-E188 WeakPolarHBondContact O-CB 3.32Å; L184-E188 PolarHBondContact O-N 3.44Å; E188-R300 IonicContact OE1-CZ 3.04Å; E188-R300 IonicContact OE1-NH1 3.49Å; E188-R300 IonicContact OE1-NH2 2.74Å; E188-R300 PolarHBondContact OE1-NH2 2.86Å
189E50.8Low69Low133 Ų13377.2 Ų77.262%0.62139%0.389SS*.Hα-helixtrans-71.5-30.5176.5-79.5-174.6-17500112.5D185 E186 D187 R215D185-E189 WeakPolarHBondContact O-CG 3.35Å; D185-E189 PolarHBondContact O-N 2.85Å; E186-E189 PolarHBondContact O-N 3.32Å; D187-E189 VanDerWaalsContact C-N 3.31Å; E189-R215 PolarHBondContact O-NE 3.18Å; E189-R215 VanDerWaalsContact O-NE 3.12Å; E189-R215 PolarHBondContact O-NH1 2.8Å; E189-R215 PolarHBondContact O-NH2 3.36Å
190D53.8Low69.2Low115 Ų11570.7 Ų70.762%0.61536%0.361SS*.Hα-helixtrans-93-20.8-174.9-81.6-27.6000115.4E186 D187 V192 R215E186-D190 PolarHBondContact O-N 3.25Å; D187-D190 PolarHBondContact O-N 3.26Å; D190-V192 PolarHBondContact O-N 2.71Å; D190-R215 IonicContact OD1-NH2 3.11Å
191H58.9Low69.7Low111 Ų11173.1 Ų73.151%0.51438%0.375SS..  trans-85.9103.6-173-162.819.3000113.7D187 M219D187-H191 PolarHBondContact O-N 2.94Å; H191-M219 WeakPolarHBondContact O-CE 3.31Å
192V65.9Low70.4Confident21 Ų2179.1 Ų79.113%0.12740%0.402CS..  trans-103.3134.8169.9-175.40000108.8D190 E194 L197 I211 L214 R215D190-V192 PolarHBondContact O-N 2.71Å; V192-E194 PolarHBondContact O-N 3.19Å; V192-E194 VanDerWaalsContact O-N 3.08Å; V192-L197 HydrophobicContact CG1-CB 4.15Å; V192-L197 HydrophobicContact CG1-CD2 4.3Å; V192-I211 HydrophobicContact CG1-CG1 4.24Å; V192-I211 HydrophobicContact CG2-CB 4.24Å; V192-I211 HydrophobicContact CG2-CG1 4.11Å; V192-I211 HydrophobicContact CG2-CG2 3.63Å; V192-L214 HydrophobicContact CG1-CB 4.23Å; V192-L214 HydrophobicContact CG1-CD1 3.71Å; V192-R215 HydrophobicContact CG2-CG 4.25Å
193D69.4Low70.7Confident65 Ų6582.3 Ų82.335%0.34841%0.411SS..  trans-63.9109.9173-178.5-8.4000109.8T195 A196 L197 M219D193-T195 PolarHBondContact O-N 3.04Å; D193-T195 WeakPolarHBondContact OD1-CB 2.96Å; D193-T195 PolarHBondContact OD1-N 3.17Å; D193-T195 PolarHBondContact OD1-OG1 3.14Å; D193-T195 PolarHBondContact OD2-OG1 3.31Å; D193-A196 HydrophobicContact CB-CB 3.92Å; D193-A196 PolarHBondContact O-N 3.08Å; D193-L197 WeakPolarHBondContact O-CB 3.35Å; D193-L197 PolarHBondContact O-N 3.32Å; D193-M219 HydrophobicContact CB-CG 3.71Å
194E75.9Confident71.5Confident135 Ų13580.6 Ų80.663%0.63142%0.418SS*.Hα-helixtrans-61.5-28.9-176.3-162.8177.217300111.9V192 Q198V192-E194 PolarHBondContact O-N 3.19Å; V192-E194 VanDerWaalsContact O-N 3.08Å; E194-Q198 WeakPolarHBondContact O-CB 3.43Å; E194-Q198 WeakPolarHBondContact O-CG 3.43Å; E194-Q198 PolarHBondContact O-N 2.96Å
195T78.3Confident72.3Confident84 Ų8481.5 Ų81.552%0.51542%0.422SS..Hα-helixtrans-73.9-41.8177.967.50000111.9D193 L197 Q198 Q199D193-T195 PolarHBondContact O-N 3.04Å; D193-T195 WeakPolarHBondContact OD1-CB 2.96Å; D193-T195 PolarHBondContact OD1-N 3.17Å; D193-T195 PolarHBondContact OD1-OG1 3.14Å; D193-T195 PolarHBondContact OD2-OG1 3.31Å; T195-L197 VanDerWaalsContact C-N 3.34Å; T195-Q198 PolarHBondContact O-N 3.48Å; T195-Q199 WeakPolarHBondContact O-CG 3.47Å; T195-Q199 PolarHBondContact O-N 2.95Å
196A77.7Confident73.3Confident2 Ų280.5 Ų80.52%0.01742%0.42CS..Hα-helixtrans-66.3-39.2174.100000111.3D193 Q199 L200 L214 V221D193-A196 HydrophobicContact CB-CB 3.92Å; D193-A196 PolarHBondContact O-N 3.08Å; A196-Q199 PolarHBondContact O-N 3.19Å; A196-L200 PolarHBondContact O-N 3.46Å; A196-L200 VanDerWaalsContact O-N 3.12Å; A196-L214 HydrophobicContact CB-CD1 4.01Å; A196-L214 HydrophobicContact CB-CD2 3.77Å; A196-V221 HydrophobicContact CB-CG2 3.41Å; A196-V221 VanDerWaalsContact CB-CG2 3.41Å
197L82.8Confident74.3Confident16 Ų1680 Ų808%0.08442%0.417CS..Hα-helixtrans-64.7-45.2175.9-17858.3000111.7V192 D193 T195 Q199 L200 T201 E207 A210 I211 L214V192-L197 HydrophobicContact CG1-CB 4.15Å; V192-L197 HydrophobicContact CG1-CD2 4.3Å; D193-L197 WeakPolarHBondContact O-CB 3.35Å; D193-L197 PolarHBondContact O-N 3.32Å; T195-L197 VanDerWaalsContact C-N 3.34Å; L197-Q199 VanDerWaalsContact C-N 3.34Å; L197-Q199 PolarHBondContact O-N 3.45Å; L197-L200 PolarHBondContact O-N 3.33Å; L197-T201 WeakPolarHBondContact O-CB 3.15Å; L197-T201 PolarHBondContact O-N 3.22Å; L197-T201 PolarHBondContact O-OG1 2.72Å; L197-E207 HydrophobicContact CD1-CG 3.91Å; L197-E207 HydrophobicContact CD2-CG 3.97Å; L197-E207 HydrophobicContact CG-CG 4.16Å; L197-A210 HydrophobicContact CD1-CB 3.6Å; L197-I211 HydrophobicContact CD1-CG1 3.67Å; L197-I211 HydrophobicContact CD2-CD1 4.17Å; L197-I211 HydrophobicContact CD2-CG1 3.83Å; L197-I211 HydrophobicContact CG-CG1 4.41Å; L197-L214 HydrophobicContact CB-CD1 4.02Å; L197-L214 HydrophobicContact CD1-CD1 4.31Å
198Q84.3Confident75.7Confident102 Ų10279.6 Ų79.648%0.47742%0.421SS..Hα-helixtrans-59.3-44.3174.4-80.417410.200111.4E194 T195 L200 T201 E202E194-Q198 WeakPolarHBondContact O-CB 3.43Å; E194-Q198 WeakPolarHBondContact O-CG 3.43Å; E194-Q198 PolarHBondContact O-N 2.96Å; T195-Q198 PolarHBondContact O-N 3.48Å; Q198-L200 PolarHBondContact O-N 3.38Å; Q198-T201 PolarHBondContact O-N 3.08Å; Q198-E202 WeakPolarHBondContact O-CB 3.48Å; Q198-E202 WeakPolarHBondContact O-CG 3.4Å; Q198-E202 PolarHBondContact O-N 3.41Å
199Q84.4Confident77Confident99 Ų9975.6 Ų75.646%0.46340%0.402SS..Hα-helixtrans-59.9-45.3178-75.5176.25.100112.8T195 A196 L197 T201 M203 V221T195-Q199 WeakPolarHBondContact O-CG 3.47Å; T195-Q199 PolarHBondContact O-N 2.95Å; A196-Q199 PolarHBondContact O-N 3.19Å; L197-Q199 VanDerWaalsContact C-N 3.34Å; L197-Q199 PolarHBondContact O-N 3.45Å; Q199-T201 VanDerWaalsContact C-N 3.34Å; Q199-M203 VanDerWaalsContact O-CG 3.3Å; Q199-M203 WeakPolarHBondContact O-CG 3.49Å; Q199-M203 PolarHBondContact O-N 3.26Å; Q199-V221 HydrophobicContact CB-CG1 4.4Å
200L83.8Confident78.5Confident0 Ų069.3 Ų69.30%037%0.372CS..Hα-helixtrans-69-34.7177.7-68175.3000112.1A196 L197 Q198 M203 G204 F205 A210 L214 V221 A224 M225 L228A196-L200 PolarHBondContact O-N 3.46Å; A196-L200 VanDerWaalsContact O-N 3.12Å; L197-L200 PolarHBondContact O-N 3.33Å; Q198-L200 PolarHBondContact O-N 3.38Å; L200-M203 PolarHBondContact O-N 3.43Å; L200-G204 PolarHBondContact O-N 2.67Å; L200-F205 HydrophobicContact CD2-CD2 4.45Å; L200-F205 WeakPolarHBondContact O-CB 3.41Å; L200-F205 WeakPolarHBondContact O-CD2 3.25Å; L200-F205 PolarHBondContact O-N 3.05Å; L200-A210 HydrophobicContact CB-CB 3.76Å; L200-A210 HydrophobicContact CD1-CB 3.99Å; L200-L214 HydrophobicContact CD1-CD1 3.86Å; L200-L214 HydrophobicContact CD1-CD2 3.75Å; L200-L214 HydrophobicContact CD1-CG 3.59Å; L200-V221 HydrophobicContact CD2-CG1 4.05Å; L200-V221 HydrophobicContact CG-CG1 4.31Å; L200-A224 HydrophobicContact CD1-CB 3.86Å; L200-M225 HydrophobicContact CD2-CB 4.14Å; L200-L228 HydrophobicContact CD1-CD1 4.04Å; L200-L228 HydrophobicContact CD2-CD1 4.09Å
201T85.8Confident79.7Confident58 Ų5865.8 Ų65.836%0.35635%0.353SS..Hα-helixtrans-70.9-39.3177.7-51.80000111.5L197 Q198 Q199 M203 G204L197-T201 WeakPolarHBondContact O-CB 3.15Å; L197-T201 PolarHBondContact O-N 3.22Å; L197-T201 PolarHBondContact O-OG1 2.72Å; Q198-T201 PolarHBondContact O-N 3.08Å; Q199-T201 VanDerWaalsContact C-N 3.34Å; T201-M203 PolarHBondContact O-N 3.49Å; T201-G204 WeakPolarHBondContact O-CA 3.24Å; T201-G204 PolarHBondContact O-N 2.98Å
202E87.2Confident80.6Confident166 Ų16662.8 Ų62.878%0.77634%0.338SS*.Hα-helixtrans-63.2-30.2173.4-78.5-177174.400112.4Q198 G204Q198-E202 WeakPolarHBondContact O-CB 3.48Å; Q198-E202 WeakPolarHBondContact O-CG 3.4Å; Q198-E202 PolarHBondContact O-N 3.41Å; E202-G204 PolarHBondContact O-N 2.92Å
203M82.6Confident81.2Confident113 Ų11361.8 Ų61.856%0.55733%0.332SS*.THydrogen-bonded Turntrans-74.9-5.9172.7-69.6-178.167.500113.7Q199 L200 T201 F205 M225Q199-M203 VanDerWaalsContact O-CG 3.3Å; Q199-M203 WeakPolarHBondContact O-CG 3.49Å; Q199-M203 PolarHBondContact O-N 3.26Å; L200-M203 PolarHBondContact O-N 3.43Å; T201-M203 PolarHBondContact O-N 3.49Å; M203-F205 HydrophobicContact CB-CD2 4.06Å; M203-F205 HydrophobicContact CB-CE2 4.15Å; M203-F205 HydrophobicContact CE-CE2 4.48Å; M203-M225 HydrophobicContact CE-CG 4.42Å; M203-M225 HydrophobicContact CE-SD 3.5Å; M203-M225 VanDerWaalsContact CE-SD 3.5Å; M203-M225 HydrophobicContact SD-SD 4.27Å
204G82.9Confident81.6Confident63 Ų6358.7 Ų58.765%0.64932%0.316SS*.THydrogen-bonded Turntrans96.49.9175.100000115L200 T201 E202L200-G204 PolarHBondContact O-N 2.67Å; T201-G204 WeakPolarHBondContact O-CA 3.24Å; T201-G204 PolarHBondContact O-N 2.98Å; E202-G204 PolarHBondContact O-N 2.92Å
205F82.1Confident81.3Confident28 Ų2856 Ų5612%0.12330%0.3CS..  trans-80.5139.7172.8-62.8-74.7000110.9L200 M203 E207 M225 L228 I229 I232L200-F205 HydrophobicContact CD2-CD2 4.45Å; L200-F205 WeakPolarHBondContact O-CB 3.41Å; L200-F205 WeakPolarHBondContact O-CD2 3.25Å; L200-F205 PolarHBondContact O-N 3.05Å; M203-F205 HydrophobicContact CB-CD2 4.06Å; M203-F205 HydrophobicContact CB-CE2 4.15Å; M203-F205 HydrophobicContact CE-CE2 4.48Å; F205-E207 PolarHBondContact O-N 3.37Å; F205-M225 HydrophobicContact CE2-CG 4.32Å; F205-L228 HydrophobicContact CB-CD1 4.15Å; F205-L228 HydrophobicContact CD1-CB 4.05Å; F205-L228 HydrophobicContact CD1-CD1 4.14Å; F205-L228 HydrophobicContact CD1-CD2 4.43Å; F205-L228 HydrophobicContact CD1-CG 4.44Å; F205-L228 HydrophobicContact CD2-CD1 4.07Å; F205-L228 HydrophobicContact CE1-CB 3.89Å; F205-L228 HydrophobicContact CG-CD1 3.86Å; F205-L228 HydrophobicContact CZ-CB 4.3Å; F205-I229 HydrophobicContact CZ-CG1 4.24Å; F205-I232 HydrophobicContact CE1-CD1 4.17Å
206P85.4Confident81Confident62 Ų6256.8 Ų56.840%0.40330%0.3SS..  trans-59.9137.6175-23.233.3000112S208 R209 A210P206-S208 VanDerWaalsContact C-N 3.3Å; P206-S208 PolarHBondContact O-N 2.93Å; P206-R209 HydrophobicContact CB-CB 4.35Å; P206-R209 WeakPolarHBondContact O-CB 3.41Å; P206-R209 PolarHBondContact O-N 3.15Å; P206-A210 PolarHBondContact O-N 3.35Å
207E81.3Confident80.7Confident115 Ų11557.2 Ų57.254%0.53730%0.303SS..Hα-helixtrans-55-42.9-177.2-168.2-178.216900112.3L197 F205 R209 A210 I211L197-E207 HydrophobicContact CD1-CG 3.91Å; L197-E207 HydrophobicContact CD2-CG 3.97Å; L197-E207 HydrophobicContact CG-CG 4.16Å; F205-E207 PolarHBondContact O-N 3.37Å; E207-R209 VanDerWaalsContact C-N 3.28Å; E207-R209 PolarHBondContact O-N 3.25Å; E207-A210 PolarHBondContact O-N 3.22Å; E207-I211 HydrophobicContact CG-CD1 4.06Å; E207-I211 WeakPolarHBondContact O-CB 3.41Å; E207-I211 VanDerWaalsContact O-CG1 3.22Å; E207-I211 WeakPolarHBondContact O-CG1 3.35Å; E207-I211 PolarHBondContact O-N 3.26Å
208S81.1Confident79.8Confident76 Ų7663.7 Ų63.753%0.53133%0.332SS..Hα-helixtrans-59.1-37.8176.551.20000113.2P206 K212P206-S208 VanDerWaalsContact C-N 3.3Å; P206-S208 PolarHBondContact O-N 2.93Å; S208-K212 PolarHBondContact O-N 2.87Å
209R82.3Confident79.1Confident24 Ų2462 Ų629%0.09133%0.326CS..Hα-helixtrans-78.6-39.6179.4-154.9-173.8-76.7-164.6-5.3111.1P206 E207 K212 A213 L228 I232 V237 D238P206-R209 HydrophobicContact CB-CB 4.35Å; P206-R209 WeakPolarHBondContact O-CB 3.41Å; P206-R209 PolarHBondContact O-N 3.15Å; E207-R209 VanDerWaalsContact C-N 3.28Å; E207-R209 PolarHBondContact O-N 3.25Å; R209-K212 PolarHBondContact O-N 3.27Å; R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.39Å; R209-L228 HydrophobicContact CB-CD2 3.92Å; R209-L228 HydrophobicContact CG-CD2 3.38Å; R209-I232 PolarHBondContact NH1-O 2.92Å; R209-V237 HydrophobicContact CG-CG1 4.04Å; R209-D238 IonicContact CZ-OD1 2.77Å; R209-D238 IonicContact CZ-OD2 3.28Å; R209-D238 IonicContact NE-OD1 3.04Å; R209-D238 PolarHBondContact NE-OD1 3.5Å; R209-D238 VanDerWaalsContact NH2-CG 3.3Å; R209-D238 IonicContact NH2-OD1 3.04Å; R209-D238 PolarHBondContact NH2-OD1 2.84Å; R209-D238 VanDerWaalsContact NH2-OD1 3.11Å; R209-D238 IonicContact NH2-OD2 2.69Å; R209-D238 PolarHBondContact NH2-OD2 3.47Å
210A82.9Confident78.4Confident0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-62.8-43175.400000111.8L197 L200 P206 E207 K212 A213 L214L197-A210 HydrophobicContact CD1-CB 3.6Å; L200-A210 HydrophobicContact CB-CB 3.76Å; L200-A210 HydrophobicContact CD1-CB 3.99Å; P206-A210 PolarHBondContact O-N 3.35Å; E207-A210 PolarHBondContact O-N 3.22Å; A210-K212 VanDerWaalsContact C-N 3.35Å; A210-K212 PolarHBondContact O-N 3.19Å; A210-A213 PolarHBondContact O-N 3Å; A210-L214 VanDerWaalsContact O-CB 3.3Å; A210-L214 WeakPolarHBondContact O-CB 3.26Å; A210-L214 WeakPolarHBondContact O-CG 3.4Å; A210-L214 PolarHBondContact O-N 3.3Å
211I78.8Confident78.1Confident41 Ų4160.5 Ų60.521%0.2132%0.324CS..Hα-helixtrans-55.7-50.1172-73.4166.1000110.5V192 L197 E207 A213 L214 R215V192-I211 HydrophobicContact CG1-CG1 4.24Å; V192-I211 HydrophobicContact CG2-CB 4.24Å; V192-I211 HydrophobicContact CG2-CG1 4.11Å; V192-I211 HydrophobicContact CG2-CG2 3.63Å; L197-I211 HydrophobicContact CD1-CG1 3.67Å; L197-I211 HydrophobicContact CD2-CD1 4.17Å; L197-I211 HydrophobicContact CD2-CG1 3.83Å; L197-I211 HydrophobicContact CG-CG1 4.41Å; E207-I211 HydrophobicContact CG-CD1 4.06Å; E207-I211 WeakPolarHBondContact O-CB 3.41Å; E207-I211 VanDerWaalsContact O-CG1 3.22Å; E207-I211 WeakPolarHBondContact O-CG1 3.35Å; E207-I211 PolarHBondContact O-N 3.26Å; I211-A213 PolarHBondContact O-N 2.88Å; I211-L214 PolarHBondContact O-N 2.92Å; I211-R215 WeakPolarHBondContact O-CB 3.36Å; I211-R215 VanDerWaalsContact O-CG 3.27Å; I211-R215 WeakPolarHBondContact O-CG 3.44Å; I211-R215 PolarHBondContact O-N 3.32Å
212K77Confident77.6Confident49 Ų4962.8 Ų62.821%0.21334%0.338CS..Hα-helixtrans-63.7-42.8-178.9-169171179.4173.30112.1S208 R209 A210 R215 L216 V237S208-K212 PolarHBondContact O-N 2.87Å; R209-K212 PolarHBondContact O-N 3.27Å; A210-K212 VanDerWaalsContact C-N 3.35Å; A210-K212 PolarHBondContact O-N 3.19Å; K212-R215 PolarHBondContact O-N 3.42Å; K212-L216 HydrophobicContact CG-CD1 4.2Å; K212-L216 WeakPolarHBondContact O-CB 3.28Å; K212-L216 VanDerWaalsContact O-CG 3.29Å; K212-L216 WeakPolarHBondContact O-CG 3.44Å; K212-L216 PolarHBondContact O-N 2.75Å; K212-V237 HydrophobicContact CD-CG1 4.08Å; K212-V237 PolarHBondContact NZ-O 3.31Å
213A78.8Confident77Confident0 Ų059.7 Ų59.70%032%0.324CS..Hα-helixtrans-66.2-42.5177.400000112.1R209 A210 I211 L216 C217 A224 W227 L228R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.39Å; A210-A213 PolarHBondContact O-N 3Å; I211-A213 PolarHBondContact O-N 2.88Å; A213-L216 PolarHBondContact O-N 3.37Å; A213-C217 WeakPolarHBondContact O-CB 3.48Å; A213-C217 PolarHBondContact O-N 2.88Å; A213-C217 PolarHBondContact O-SG 2.87Å; A213-A224 HydrophobicContact CB-CB 3.93Å; A213-W227 HydrophobicContact CB-CD2 4.46Å; A213-W227 HydrophobicContact CB-CE3 3.58Å; A213-W227 HydrophobicContact CB-CZ3 4.09Å; A213-L228 HydrophobicContact CB-CD1 3.92Å; A213-L228 HydrophobicContact CB-CD2 3.78Å; A213-L228 HydrophobicContact CB-CG 3.51Å
214L77.8Confident76.9Confident0 Ų054.3 Ų54.30%030%0.297CS..Hα-helixtrans-63.2-41.8175.9-73.9169.3000111.5V192 A196 L197 L200 A210 I211 C217 H218 M219 A224V192-L214 HydrophobicContact CG1-CB 4.23Å; V192-L214 HydrophobicContact CG1-CD1 3.71Å; A196-L214 HydrophobicContact CB-CD1 4.01Å; A196-L214 HydrophobicContact CB-CD2 3.77Å; L197-L214 HydrophobicContact CB-CD1 4.02Å; L197-L214 HydrophobicContact CD1-CD1 4.31Å; L200-L214 HydrophobicContact CD1-CD1 3.86Å; L200-L214 HydrophobicContact CD1-CD2 3.75Å; L200-L214 HydrophobicContact CD1-CG 3.59Å; A210-L214 VanDerWaalsContact O-CB 3.3Å; A210-L214 WeakPolarHBondContact O-CB 3.26Å; A210-L214 WeakPolarHBondContact O-CG 3.4Å; A210-L214 PolarHBondContact O-N 3.3Å; I211-L214 PolarHBondContact O-N 2.92Å; L214-C217 CarbonylContact O-C 3.49Å; L214-C217 PolarHBondContact O-N 2.96Å; L214-H218 PolarHBondContact O-N 3.43Å; L214-H218 VanDerWaalsContact O-N 3.17Å; L214-M219 HydrophobicContact CB-SD 4.09Å; L214-M219 PolarHBondContact O-N 2.66Å; L214-A224 HydrophobicContact CD2-CB 3.76Å; L214-A224 HydrophobicContact CG-CB 4.13Å
215R70.9Confident76.8Confident79 Ų7954.5 Ų54.530%0.29828%0.282SS..Hα-helixtrans-62.8-44.3175-72176.7-173.5-168.30.3112E189 D190 V192 I211 K212 C217E189-R215 PolarHBondContact O-NE 3.18Å; E189-R215 VanDerWaalsContact O-NE 3.12Å; E189-R215 PolarHBondContact O-NH1 2.8Å; E189-R215 PolarHBondContact O-NH2 3.36Å; D190-R215 IonicContact OD1-NH2 3.11Å; V192-R215 HydrophobicContact CG2-CG 4.25Å; I211-R215 WeakPolarHBondContact O-CB 3.36Å; I211-R215 VanDerWaalsContact O-CG 3.27Å; I211-R215 WeakPolarHBondContact O-CG 3.44Å; I211-R215 PolarHBondContact O-N 3.32Å; K212-R215 PolarHBondContact O-N 3.42Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 3.14Å
216L71Confident76.8Confident99 Ų9959 Ų5952%0.51830%0.304SS..Hα-helixtrans-70.6-27.3178.6-71170.3000113.2K212 A213 W227K212-L216 HydrophobicContact CG-CD1 4.2Å; K212-L216 WeakPolarHBondContact O-CB 3.28Å; K212-L216 VanDerWaalsContact O-CG 3.29Å; K212-L216 WeakPolarHBondContact O-CG 3.44Å; K212-L216 PolarHBondContact O-N 2.75Å; A213-L216 PolarHBondContact O-N 3.37Å; L216-W227 HydrophobicContact CD1-CD2 4.36Å; L216-W227 HydrophobicContact CD1-CH2 3.74Å; L216-W227 HydrophobicContact CD1-CZ2 3.32Å; L216-W227 HydrophobicContact CD1-CZ3 4.41Å
217C71.5Confident76.6Confident11 Ų1158.3 Ų58.37%0.07429%0.293CS..THydrogen-bonded Turntrans-107.526.5-175.8-57.70000113A213 L214 R215 M219 S220 Q223 A224A213-C217 WeakPolarHBondContact O-CB 3.48Å; A213-C217 PolarHBondContact O-N 2.88Å; A213-C217 PolarHBondContact O-SG 2.87Å; L214-C217 CarbonylContact O-C 3.49Å; L214-C217 PolarHBondContact O-N 2.96Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 3.14Å; C217-M219 VanDerWaalsContact C-N 3.33Å; C217-M219 PolarHBondContact O-N 3.41Å; C217-S220 VanDerWaalsContact O-CB 3.29Å; C217-S220 WeakPolarHBondContact O-CB 3.28Å; C217-S220 PolarHBondContact O-N 3.38Å; C217-Q223 HydrophobicContact CB-CB 3.69Å; C217-Q223 VanDerWaalsContact SG-C 3.59Å; C217-A224 HydrophobicContact CB-CB 4.07Å
218H65.1Low76.7Confident152 Ų15252.9 Ų52.970%0.70427%0.267SS*.THydrogen-bonded Turntrans51.645.2174.5-60.4-65.6000114.2L214 S220L214-H218 PolarHBondContact O-N 3.43Å; L214-H218 VanDerWaalsContact O-N 3.17Å; H218-S220 PolarHBondContact O-N 3.4Å; H218-S220 VanDerWaalsContact O-N 3.09Å
219M67.6Low76.7Confident68 Ų6853.4 Ų53.434%0.33526%0.263SS..THydrogen-bonded Turntrans59.716.9-179.2-102.156.980.900114.7H191 D193 L214 C217H191-M219 WeakPolarHBondContact O-CE 3.31Å; D193-M219 HydrophobicContact CB-CG 3.71Å; L214-M219 HydrophobicContact CB-SD 4.09Å; L214-M219 PolarHBondContact O-N 2.66Å; C217-M219 VanDerWaalsContact C-N 3.33Å; C217-M219 PolarHBondContact O-N 3.41Å
220S71.8Confident76.6Confident30 Ų3059 Ų5921%0.2129%0.29CS..  trans-84.7114.3171.9-179.90000111C217 H218 T222 Q223 A224C217-S220 VanDerWaalsContact O-CB 3.29Å; C217-S220 WeakPolarHBondContact O-CB 3.28Å; C217-S220 PolarHBondContact O-N 3.38Å; H218-S220 PolarHBondContact O-N 3.4Å; H218-S220 VanDerWaalsContact O-N 3.09Å; S220-T222 PolarHBondContact O-N 3.44Å; S220-T222 PolarHBondContact OG-OG1 3.06Å; S220-Q223 PolarHBondContact O-N 3Å; S220-A224 WeakPolarHBondContact O-CB 3.21Å; S220-A224 PolarHBondContact O-N 3.13Å
221V75.6Confident76.2Confident36 Ų3661.7 Ų61.722%0.21830%0.303CS..Hα-helixtrans-57.1-39.5176.8179.20000111.8A196 Q199 L200 M225A196-V221 HydrophobicContact CB-CG2 3.41Å; A196-V221 VanDerWaalsContact CB-CG2 3.41Å; Q199-V221 HydrophobicContact CB-CG1 4.4Å; L200-V221 HydrophobicContact CD2-CG1 4.05Å; L200-V221 HydrophobicContact CG-CG1 4.31Å; V221-M225 VanDerWaalsContact O-CB 3.3Å; V221-M225 WeakPolarHBondContact O-CB 3.36Å; V221-M225 PolarHBondContact O-N 3.29Å
222T76.4Confident75.7Confident107 Ų10763.6 Ų63.666%0.65631%0.313SS*.Hα-helixtrans-69.8-45.4-176.18.80000111.9S220 M225 E226S220-T222 PolarHBondContact O-N 3.44Å; S220-T222 PolarHBondContact OG-OG1 3.06Å; T222-M225 PolarHBondContact O-N 2.7Å; T222-E226 PolarHBondContact O-N 3Å
223Q74.8Confident75.1Confident101 Ų10168.5 Ų68.547%0.47234%0.341SS..Hα-helixtrans-71.5-38.9177.4-65.4177.625.200111.3C217 S220 M225 E226 W227C217-Q223 HydrophobicContact CB-CB 3.69Å; C217-Q223 VanDerWaalsContact SG-C 3.59Å; S220-Q223 PolarHBondContact O-N 3Å; Q223-M225 VanDerWaalsContact C-N 3.29Å; Q223-M225 PolarHBondContact O-N 2.83Å; Q223-E226 PolarHBondContact O-N 3.34Å; Q223-W227 WeakPolarHBondContact O-CB 3.04Å; Q223-W227 PolarHBondContact O-N 3.22Å
224A79.1Confident74.4Confident0 Ų071.4 Ų71.40%036%0.357CS..Hα-helixtrans-61-39.7175.100000111.6L200 A213 L214 C217 S220 W227 L228L200-A224 HydrophobicContact CD1-CB 3.86Å; A213-A224 HydrophobicContact CB-CB 3.93Å; L214-A224 HydrophobicContact CD2-CB 3.76Å; L214-A224 HydrophobicContact CG-CB 4.13Å; C217-A224 HydrophobicContact CB-CB 4.07Å; S220-A224 WeakPolarHBondContact O-CB 3.21Å; S220-A224 PolarHBondContact O-N 3.13Å; A224-W227 PolarHBondContact O-N 2.89Å; A224-L228 WeakPolarHBondContact O-CB 3.34Å; A224-L228 WeakPolarHBondContact O-CD1 3.27Å; A224-L228 WeakPolarHBondContact O-CG 3.28Å; A224-L228 PolarHBondContact O-N 3.02Å
225M80.8Confident73.5Confident66 Ų6676.5 Ų76.533%0.32539%0.39SS..Hα-helixtrans-63.5-45.4175-173.1-174.8107.600112.1L200 M203 F205 V221 T222 Q223 W227 L228 I229L200-M225 HydrophobicContact CD2-CB 4.14Å; M203-M225 HydrophobicContact CE-CG 4.42Å; M203-M225 HydrophobicContact CE-SD 3.5Å; M203-M225 VanDerWaalsContact CE-SD 3.5Å; M203-M225 HydrophobicContact SD-SD 4.27Å; F205-M225 HydrophobicContact CE2-CG 4.32Å; V221-M225 VanDerWaalsContact O-CB 3.3Å; V221-M225 WeakPolarHBondContact O-CB 3.36Å; V221-M225 PolarHBondContact O-N 3.29Å; T222-M225 PolarHBondContact O-N 2.7Å; Q223-M225 VanDerWaalsContact C-N 3.29Å; Q223-M225 PolarHBondContact O-N 2.83Å; M225-W227 VanDerWaalsContact C-N 3.33Å; M225-W227 PolarHBondContact O-N 3.4Å; M225-L228 PolarHBondContact O-N 3.18Å; M225-I229 HydrophobicContact CE-CD1 3.84Å; M225-I229 HydrophobicContact CG-CD1 3.9Å; M225-I229 WeakPolarHBondContact O-CD1 3.3Å; M225-I229 VanDerWaalsContact O-CG1 3.24Å; M225-I229 WeakPolarHBondContact O-CG1 3.44Å; M225-I229 PolarHBondContact O-N 3.4Å
226E82.4Confident72.9Confident124 Ų12477.4 Ų77.458%0.57940%0.404SS*.Hα-helixtrans-60.5-45177.6-170.3165.2-152.500110.9T222 Q223 L228 I229 E230T222-E226 PolarHBondContact O-N 3Å; Q223-E226 PolarHBondContact O-N 3.34Å; E226-L228 PolarHBondContact O-N 2.87Å; E226-I229 PolarHBondContact O-N 3.43Å; E226-E230 WeakPolarHBondContact O-CG 3.19Å; E226-E230 PolarHBondContact O-N 3.26Å
227W82.9Confident72.2Confident47 Ų4773.3 Ų73.318%0.17838%0.383CS..Hα-helixtrans-61.9-41.9175.3-169.489.3000112.9A213 L216 Q223 A224 M225 I229 E230 H231 V237A213-W227 HydrophobicContact CB-CD2 4.46Å; A213-W227 HydrophobicContact CB-CE3 3.58Å; A213-W227 HydrophobicContact CB-CZ3 4.09Å; L216-W227 HydrophobicContact CD1-CD2 4.36Å; L216-W227 HydrophobicContact CD1-CH2 3.74Å; L216-W227 HydrophobicContact CD1-CZ2 3.32Å; L216-W227 HydrophobicContact CD1-CZ3 4.41Å; Q223-W227 WeakPolarHBondContact O-CB 3.04Å; Q223-W227 PolarHBondContact O-N 3.22Å; A224-W227 PolarHBondContact O-N 2.89Å; M225-W227 VanDerWaalsContact C-N 3.33Å; M225-W227 PolarHBondContact O-N 3.4Å; W227-I229 VanDerWaalsContact C-N 3.3Å; W227-I229 PolarHBondContact O-N 3.41Å; W227-E230 PolarHBondContact O-N 2.82Å; W227-H231 AromaticContact CD1-CE1 3.79Å; W227-H231 AromaticContact CD1-ND1 3.87Å; W227-H231 AromaticContact CD2-ND1 3.82Å; W227-H231 AromaticContact CE2-CE1 3.79Å; W227-H231 AromaticContact CE2-ND1 3.63Å; W227-H231 AromaticContact CG-ND1 3.97Å; W227-H231 HydrophobicContact CH2-CB 4.44Å; W227-H231 HydrophobicContact CZ3-CB 4.44Å; W227-H231 AromaticContact NE1-CE1 3.42Å; W227-H231 PolarHBondContact NE1-CE1 2.85Å; W227-H231 AromaticContact NE1-ND1 3.66Å; W227-H231 WeakPolarHBondContact O-CB 3.25Å; W227-H231 PolarHBondContact O-N 3.41Å; W227-H231 PolarHBondContact O-ND1 3.38Å; W227-V237 HydrophobicContact CH2-CG1 3.75Å; W227-V237 HydrophobicContact CZ3-CG1 4.06Å
228L82.7Confident71.4Confident0 Ų076.4 Ų76.40%040%0.399CS..Hα-helixtrans-63.5-34.5176.5-76.9166.7000112.9L200 F205 R209 A213 A224 M225 E226 I232L200-L228 HydrophobicContact CD1-CD1 4.04Å; L200-L228 HydrophobicContact CD2-CD1 4.09Å; F205-L228 HydrophobicContact CB-CD1 4.15Å; F205-L228 HydrophobicContact CD1-CB 4.05Å; F205-L228 HydrophobicContact CD1-CD1 4.14Å; F205-L228 HydrophobicContact CD1-CD2 4.43Å; F205-L228 HydrophobicContact CD1-CG 4.44Å; F205-L228 HydrophobicContact CD2-CD1 4.07Å; F205-L228 HydrophobicContact CE1-CB 3.89Å; F205-L228 HydrophobicContact CG-CD1 3.86Å; F205-L228 HydrophobicContact CZ-CB 4.3Å; R209-L228 HydrophobicContact CB-CD2 3.92Å; R209-L228 HydrophobicContact CG-CD2 3.38Å; A213-L228 HydrophobicContact CB-CD1 3.92Å; A213-L228 HydrophobicContact CB-CD2 3.78Å; A213-L228 HydrophobicContact CB-CG 3.51Å; A224-L228 WeakPolarHBondContact O-CB 3.34Å; A224-L228 WeakPolarHBondContact O-CD1 3.27Å; A224-L228 WeakPolarHBondContact O-CG 3.28Å; A224-L228 PolarHBondContact O-N 3.02Å; M225-L228 PolarHBondContact O-N 3.18Å; E226-L228 PolarHBondContact O-N 2.87Å; L228-I232 WeakPolarHBondContact O-CA 3.4Å; L228-I232 WeakPolarHBondContact O-CB 3.34Å; L228-I232 PolarHBondContact O-N 3.32Å
229I80.4Confident70.8Confident87 Ų8771.8 Ų71.845%0.44639%0.387SS..Hα-helixtrans-74.8-41.5177.4-68.2165.2000110.5F205 M225 E226 W227 H231 I232F205-I229 HydrophobicContact CZ-CG1 4.24Å; M225-I229 HydrophobicContact CE-CD1 3.84Å; M225-I229 HydrophobicContact CG-CD1 3.9Å; M225-I229 WeakPolarHBondContact O-CD1 3.3Å; M225-I229 VanDerWaalsContact O-CG1 3.24Å; M225-I229 WeakPolarHBondContact O-CG1 3.44Å; M225-I229 PolarHBondContact O-N 3.4Å; E226-I229 PolarHBondContact O-N 3.43Å; W227-I229 VanDerWaalsContact C-N 3.3Å; W227-I229 PolarHBondContact O-N 3.41Å; I229-H231 VanDerWaalsContact C-N 3.28Å; I229-H231 PolarHBondContact O-N 2.78Å; I229-I232 PolarHBondContact O-N 3.36Å
230E79.9Confident69.9Low141 Ų14173.8 Ų73.866%0.65941%0.405SS*.Hα-helixtrans-64.6-32.7176.2-73.5-176.6166.100112.6E226 W227E226-E230 WeakPolarHBondContact O-CG 3.19Å; E226-E230 PolarHBondContact O-N 3.26Å; W227-E230 PolarHBondContact O-N 2.82Å
231H74.9Confident68.9Low58 Ų5877.3 Ų77.327%0.26942%0.421SS..THydrogen-bonded Turntrans-106.523.3-177.2-61.876.7000113W227 I229 D233 D234 V237W227-H231 AromaticContact CD1-CE1 3.79Å; W227-H231 AromaticContact CD1-ND1 3.87Å; W227-H231 AromaticContact CD2-ND1 3.82Å; W227-H231 AromaticContact CE2-CE1 3.79Å; W227-H231 AromaticContact CE2-ND1 3.63Å; W227-H231 AromaticContact CG-ND1 3.97Å; W227-H231 HydrophobicContact CH2-CB 4.44Å; W227-H231 HydrophobicContact CZ3-CB 4.44Å; W227-H231 AromaticContact NE1-CE1 3.42Å; W227-H231 PolarHBondContact NE1-CE1 2.85Å; W227-H231 AromaticContact NE1-ND1 3.66Å; W227-H231 WeakPolarHBondContact O-CB 3.25Å; W227-H231 PolarHBondContact O-N 3.41Å; W227-H231 PolarHBondContact O-ND1 3.38Å; I229-H231 VanDerWaalsContact C-N 3.28Å; I229-H231 PolarHBondContact O-N 2.78Å; H231-D233 VanDerWaalsContact C-N 3.26Å; H231-D233 PolarHBondContact O-N 3.41Å; H231-D234 PolarHBondContact O-N 2.79Å; H231-V237 HydrophobicContact CB-CG2 4.49Å
232I68.8Low67.2Low81 Ų8182 Ų8242%0.41545%0.453SS..THydrogen-bonded Turntrans-65.6-30.7-173.4-139.3162.7000112.6F205 R209 L228 I229F205-I232 HydrophobicContact CE1-CD1 4.17Å; R209-I232 PolarHBondContact NH1-O 2.92Å; L228-I232 WeakPolarHBondContact O-CA 3.4Å; L228-I232 WeakPolarHBondContact O-CB 3.34Å; L228-I232 PolarHBondContact O-N 3.32Å; I229-I232 PolarHBondContact O-N 3.36Å
233D63.3Low65.8Low152 Ų15280.6 Ų80.681%0.81346%0.459SS*.THydrogen-bonded Turntrans-98.74.6-173.5-70.5-30.3000114.4H231 P235H231-D233 VanDerWaalsContact C-N 3.26Å; H231-D233 PolarHBondContact O-N 3.41Å; D233-P235 WeakPolarHBondContact O-CD 3.45Å
234D65.1Low64.2Low61 Ų6183.7 Ų83.733%0.32647%0.473SS..  trans-96.1102179.8-170.6-12000111.8H231 T236 V237H231-D234 PolarHBondContact O-N 2.79Å; D234-T236 VanDerWaalsContact CG-OG1 3.27Å; D234-T236 PolarHBondContact O-N 3.26Å; D234-T236 WeakPolarHBondContact OD1-CB 3.36Å; D234-T236 PolarHBondContact OD1-N 3.2Å; D234-T236 PolarHBondContact OD1-OG1 2.98Å; D234-T236 PolarHBondContact OD2-OG1 3.21Å; D234-V237 HydrophobicContact CB-CG2 3.73Å; D234-V237 WeakPolarHBondContact O-CB 3.42Å; D234-V237 PolarHBondContact O-N 3.07Å
235P57.8Low62.1Low106 Ų10691.4 Ų91.469%0.68852%0.515SS*.THydrogen-bonded Turntrans-70.9-6.9-179.828.6-35000114D233 V237D233-P235 WeakPolarHBondContact O-CD 3.45Å; P235-V237 VanDerWaalsContact C-N 3.31Å
236T59.3Low60.3Low98 Ų9893.5 Ų93.560%0.60154%0.536SS*.THydrogen-bonded Turntrans-81.4-13.5173.868.40000112.8D234 D238 A239D234-T236 VanDerWaalsContact CG-OG1 3.27Å; D234-T236 PolarHBondContact O-N 3.26Å; D234-T236 WeakPolarHBondContact OD1-CB 3.36Å; D234-T236 PolarHBondContact OD1-N 3.2Å; D234-T236 PolarHBondContact OD1-OG1 2.98Å; D234-T236 PolarHBondContact OD2-OG1 3.21Å; T236-D238 VanDerWaalsContact C-N 3.32Å; T236-D238 PolarHBondContact O-N 3.4Å; T236-A239 WeakPolarHBondContact O-CB 3.17Å; T236-A239 PolarHBondContact O-N 3.2Å
237V55.8Low58.1Low13 Ų1394 Ų948%0.07955%0.553CS.*THydrogen-bonded Turntrans-72.7-27.7180-179.80000111.9R209 K212 W227 H231 D234 P235 A239R209-V237 HydrophobicContact CG-CG1 4.04Å; K212-V237 HydrophobicContact CD-CG1 4.08Å; K212-V237 PolarHBondContact NZ-O 3.31Å; W227-V237 HydrophobicContact CH2-CG1 3.75Å; W227-V237 HydrophobicContact CZ3-CG1 4.06Å; H231-V237 HydrophobicContact CB-CG2 4.49Å; D234-V237 HydrophobicContact CB-CG2 3.73Å; D234-V237 WeakPolarHBondContact O-CB 3.42Å; D234-V237 PolarHBondContact O-N 3.07Å; P235-V237 VanDerWaalsContact C-N 3.31Å; V237-A239 VanDerWaalsContact C-N 3.26Å; V237-A239 PolarHBondContact O-N 3.31Å
238D54.4Low55.6Low77 Ų7795.4 Ų95.441%0.41258%0.582SS.*THydrogen-bonded Turntrans-80.2-0.6178.4-66.5-28.2000113.7R209 T236R209-D238 IonicContact CZ-OD1 2.77Å; R209-D238 IonicContact CZ-OD2 3.28Å; R209-D238 IonicContact NE-OD1 3.04Å; R209-D238 PolarHBondContact NE-OD1 3.5Å; R209-D238 VanDerWaalsContact NH2-CG 3.3Å; R209-D238 IonicContact NH2-OD1 3.04Å; R209-D238 PolarHBondContact NH2-OD1 2.84Å; R209-D238 VanDerWaalsContact NH2-OD1 3.11Å; R209-D238 IonicContact NH2-OD2 2.69Å; R209-D238 PolarHBondContact NH2-OD2 3.47Å; T236-D238 VanDerWaalsContact C-N 3.32Å; T236-D238 PolarHBondContact O-N 3.4Å
239A52.7Low53Low55 Ų55100.1 Ų100.146%0.45562%0.621SS.*SBendtrans-70.5130.9171.900000110.1T236 V237 L241T236-A239 WeakPolarHBondContact O-CB 3.17Å; T236-A239 PolarHBondContact O-N 3.2Å; V237-A239 VanDerWaalsContact C-N 3.26Å; V237-A239 PolarHBondContact O-N 3.31Å; A239-L241 PolarHBondContact O-N 3.25Å
240P50.2Low50.5Low109 Ų109102.1 Ų102.171%0.70864%0.643SS**PPolyproline II helixtrans-58.9140.6172.623.5-29.7000109.4
241L49Very low48Very low104 Ų10498.9 Ų98.955%0.54565%0.647SS.*PPolyproline II helixtrans-57.4139.5177.2-68.3167.8000109.4A239 G243A239-L241 PolarHBondContact O-N 3.25Å; L241-G243 PolarHBondContact O-N 3.11Å
242P40.6Very low45.7Very low136 Ų136101.1 Ų101.188%0.88368%0.676SS**THydrogen-bonded Turntrans-66.1108.1179.925.5-30.3000109.4
243G47.3Very low43.7Very low76 Ų76102.4 Ų102.478%0.78470%0.698SS**THydrogen-bonded Turntrans163.8-14.3178.600000116.3L241L241-G243 PolarHBondContact O-N 3.11Å
244Q40.7Very low42Very low166 Ų166100.2 Ų100.278%0.77670%0.702SS**  trans-99.318.3-170.2-136.6171.351.800116
245D36.4Very low40.2Very low163 Ų163101.6 Ų101.687%0.87272%0.721SS**  trans-112.371.4179.6-66.6-32.7000112.4
246S41.2Very low38.6Very low110 Ų110102.9 Ų102.977%0.76973%0.728SS**  trans-165.277.4151.743.20000112.6
247S37.6Very low37.2Very low135 Ų135106.5 Ų106.594%0.94474%0.741SS**  trans-155.585152-85.10000110
248G29.3Very low35.8Very low76 Ų76112.5 Ų112.578%0.78478%0.778SS**  trans-176.697175.500000113.5
249A29Very low34.5Very low99 Ų99112.3 Ų112.382%0.81879%0.794SS**  trans75.4103.7156.400000120.1
250S27.9Very low34Very low128 Ų128115.7 Ų115.790%0.89581%0.812SS**  -162.5122.1120.1-94.10000111.6
251G26.7Very low33Very low73 Ų73116.2 Ų116.275%0.75382%0.818SS**  trans-83.5166.3169.600000112.9
252A26.3Very low32.1Very low106 Ų106116.3 Ų116.388%0.87683%0.834SS**  trans66.7100.8154.700000118.4
253A26.5Very low31.7Very low107 Ų107115.3 Ų115.388%0.88483%0.83SS**  175.2111.6112.900000110.1
254A27.7Very low31Very low107 Ų107116 Ų11688%0.88483%0.828SS**  trans-136111.3163.100000109.2
255A28Very low30.7Very low89 Ų89114.1 Ų114.174%0.73683%0.833SS**  trans-78141.9-179.800000111.8
256T24.2Very low30.6Very low134 Ų134110.6 Ų110.682%0.82283%0.827SS**  trans36.8107.3141.258.30000119
257I29.4Very low30.6Very low173 Ų173111.5 Ų111.589%0.88783%0.833SS**  trans-103125.8160.541.2167.8000110.5
258T26.8Very low30.7Very low139 Ų139109.5 Ų109.585%0.85383%0.825SS**  trans-126.1125.6158.546.20000107.1
259G26.4Very low31.2Very low73 Ų73112.6 Ų112.675%0.75382%0.824SS**  trans-73.6-158.7173.200000113.3
260P43.8Very low32.1Very low127 Ų127114.1 Ų114.183%0.82582%0.817SS**  cis-140.6177.24.638.8-18000116.9
261S28.6Very low32.7Very low119 Ų119115.8 Ų115.883%0.83282%0.815SS**  trans5.9138.8154.7-63.50000123
262A30.8Very low33.4Very low107 Ų107117 Ų11788%0.88481%0.811SS**  trans-156.5144.5133.500000112.7
263S31.9Very low34.1Very low114 Ų114116.7 Ų116.780%0.79780%0.795SS**  trans-95.4157.2-157.9-45.60000115.9
264A32.5Very low35Very low91 Ų91117.8 Ų117.875%0.75279%0.786SS**  trans50.5112.7133.400000120.8
265S34Very low35.8Very low126 Ų126117.7 Ų117.788%0.88178%0.778SS**  164.696.5116.948.40000112.1
266A34.6Very low36.5Very low89 Ų89124.1 Ų124.174%0.73678%0.783SS**  trans-158.337.5161.900000112.2A268A266-A268 PolarHBondContact O-N 3.43Å
267S41Very low37.5Very low129 Ų129122.7 Ų122.790%0.90277%0.767SS**THydrogen-bonded Turntrans-97.977.7177.3-57.80000110
268A38.8Very low38.4Very low93 Ų93117.4 Ų117.477%0.76975%0.746SS**THydrogen-bonded Turntrans-150.4-7.9166.500000114.9A266A266-A268 PolarHBondContact O-N 3.43Å
269N41.5Very low39.5Very low142 Ų142115.3 Ų115.376%0.75974%0.737SS**SBendtrans-115.36.4-176-100.3-7.8000115.4
270I47.3Very low40.6Very low131 Ų131115.2 Ų115.267%0.67272%0.724SS**SBendtrans-93.9-23.4-178.9-61.2-169000112.7S272I270-S272 PolarHBondContact O-N 3.04Å
271L40.8Very low41.3Very low163 Ų163113.4 Ų113.485%0.85371%0.708SS**THydrogen-bonded Turntrans-75.2-21.1-174.4-109.888.6000114.9
272S41.2Very low42.7Very low97 Ų97111.3 Ų111.368%0.67869%0.685SS**THydrogen-bonded Turntrans-89.2-13.4-175.555.40000114.1I270I270-S272 PolarHBondContact O-N 3.04Å
273N39.7Very low44.3Very low101 Ų101109.2 Ų109.254%0.5466%0.664SS.*THydrogen-bonded Turntrans-94.3-13.7180-14231.8000113.4
274L45.8Very low46Very low130 Ų130106.2 Ų106.268%0.68164%0.643SS**THydrogen-bonded Turntrans-81.1-17.5-174.5-143.369.3000114.3
275S44.5Very low47.6Very low104 Ų104105.3 Ų105.373%0.72762%0.62SS**THydrogen-bonded Turntrans-96.70.5-178.7-65.30000114.9
276R43.9Very low49.1Very low224 Ų224102.4 Ų102.485%0.84559%0.593SS**THydrogen-bonded Turntrans-110.9-13.4175.4-95-176.7-179.4-171.80.1114.8
277Q43.6Very low50.8Low105 Ų105102.9 Ų102.949%0.49158%0.583SS.*SBendtrans-104.1-11.9179.4-89165.3-29.800113.9S279 S280 D281Q277-S279 PolarHBondContact O-N 3.04Å; Q277-S280 PolarHBondContact O-OG 3.25Å; Q277-D281 PolarHBondContact O-N 2.98Å
278S49.2Very low52.3Low61 Ų61101 Ų10143%0.42756%0.56SS.*Hα-helixtrans-68.5-28.3-175.451.10000114.3E282S278-E282 VanDerWaalsContact O-CB 3.29Å; S278-E282 WeakPolarHBondContact O-CB 3.45Å; S278-E282 WeakPolarHBondContact O-CG 3.48Å; S278-E282 PolarHBondContact O-N 2.69Å
279S48.9Very low53.7Low96 Ų9696.9 Ų96.967%0.67153%0.525SS*.Hα-helixtrans-79.8-30.8-176.9610000114.1Q277 S283Q277-S279 PolarHBondContact O-N 3.04Å; S279-S283 PolarHBondContact O-N 2.8Å
280S50.9Low55Low70 Ų7093 Ų9349%0.4951%0.507SS..Hα-helixtrans-82.8-38.5179.653.80000112.4Q277 S284Q277-S280 PolarHBondContact O-OG 3.25Å; S280-S284 WeakPolarHBondContact O-CB 3.22Å; S280-S284 PolarHBondContact O-N 2.85Å
281D57.6Low56.1Low90 Ų9092.2 Ų92.248%0.48150%0.5SS..Hα-helixtrans-74-33.9178.9-85.3-13.9000112.7Q277 R285Q277-D281 PolarHBondContact O-N 2.98Å; D281-R285 WeakPolarHBondContact O-CB 3.07Å; D281-R285 WeakPolarHBondContact O-CG 3.5Å; D281-R285 PolarHBondContact O-N 3.44Å; D281-R285 PolarHBondContact O-NE 3.4Å
282E58.9Low57.6Low74 Ų7486.1 Ų86.135%0.34647%0.468SS..Hα-helixtrans-64-49.1171.8-72.7-68.2139.800110.1S278 S284 R285 Q286S278-E282 VanDerWaalsContact O-CB 3.29Å; S278-E282 WeakPolarHBondContact O-CB 3.45Å; S278-E282 WeakPolarHBondContact O-CG 3.48Å; S278-E282 PolarHBondContact O-N 2.69Å; E282-S284 VanDerWaalsContact C-N 3.33Å; E282-S284 PolarHBondContact O-N 3.21Å; E282-R285 VanDerWaalsContact CD-NH1 3.27Å; E282-R285 VanDerWaalsContact CD-NH2 3.28Å; E282-R285 PolarHBondContact O-N 2.68Å; E282-R285 VanDerWaalsContact O-N 3.09Å; E282-R285 IonicContact OE1-CZ 3.42Å; E282-R285 IonicContact OE1-NH1 3.72Å; E282-R285 PolarHBondContact OE1-NH1 2.9Å; E282-R285 IonicContact OE1-NH2 3.67Å; E282-R285 PolarHBondContact OE1-NH2 3.47Å; E282-R285 IonicContact OE2-NH1 3.51Å; E282-Q286 VanDerWaalsContact C-OE1 3.28Å; E282-Q286 PolarHBondContact O-N 3.16Å; E282-Q286 PolarHBondContact O-OE1 3Å
283S63.1Low58.9Low63 Ų6382.3 Ų82.344%0.44144%0.439SS..Hα-helixtrans-57.4-44.7177.3-167.70000112S279 R285 Q286 D287S279-S283 PolarHBondContact O-N 2.8Å; S283-R285 VanDerWaalsContact C-N 3.34Å; S283-R285 PolarHBondContact O-N 2.57Å; S283-Q286 PolarHBondContact O-N 3.21Å; S283-D287 WeakPolarHBondContact O-CB 3.37Å; S283-D287 PolarHBondContact O-N 3.13Å; S283-D287 VanDerWaalsContact O-OD2 3.13Å
284S67.4Low60.2Low52 Ų5283.1 Ų83.136%0.36444%0.438SS..Hα-helixtrans-63.4-38.6177.1-167.70000112.4S280 E282 D287 E288S280-S284 WeakPolarHBondContact O-CB 3.22Å; S280-S284 PolarHBondContact O-N 2.85Å; E282-S284 VanDerWaalsContact C-N 3.33Å; E282-S284 PolarHBondContact O-N 3.21Å; S284-D287 PolarHBondContact O-N 3.37Å; S284-E288 WeakPolarHBondContact O-CB 3.47Å; S284-E288 WeakPolarHBondContact O-CG 3.4Å; S284-E288 PolarHBondContact O-N 3.44Å
285R67.6Low61.1Low71 Ų7184.4 Ų84.427%0.26843%0.433SS..Hα-helixtrans-71.8-39.9177.2-79.3178.5-79.5125.6-3.9112.5D281 E282 S283 D287 E288 L289D281-R285 WeakPolarHBondContact O-CB 3.07Å; D281-R285 WeakPolarHBondContact O-CG 3.5Å; D281-R285 PolarHBondContact O-N 3.44Å; D281-R285 PolarHBondContact O-NE 3.4Å; E282-R285 VanDerWaalsContact CD-NH1 3.27Å; E282-R285 VanDerWaalsContact CD-NH2 3.28Å; E282-R285 PolarHBondContact O-N 2.68Å; E282-R285 VanDerWaalsContact O-N 3.09Å; E282-R285 IonicContact OE1-CZ 3.42Å; E282-R285 IonicContact OE1-NH1 3.72Å; E282-R285 PolarHBondContact OE1-NH1 2.9Å; E282-R285 IonicContact OE1-NH2 3.67Å; E282-R285 PolarHBondContact OE1-NH2 3.47Å; E282-R285 IonicContact OE2-NH1 3.51Å; S283-R285 VanDerWaalsContact C-N 3.34Å; S283-R285 PolarHBondContact O-N 2.57Å; R285-D287 VanDerWaalsContact C-N 3.3Å; R285-E288 PolarHBondContact O-N 3.32Å; R285-L289 WeakPolarHBondContact O-CB 3.38Å; R285-L289 VanDerWaalsContact O-CG 3.3Å; R285-L289 WeakPolarHBondContact O-CG 3.4Å; R285-L289 PolarHBondContact O-N 3.43Å
286Q65.3Low62Low65 Ų6579.9 Ų79.930%0.30440%0.401SS..Hα-helixtrans-63.7-37170.8-96.1100.428.400111.3A168 E282 S283 T290A168-Q286 PolarHBondContact O-NE2 3.1Å; E282-Q286 VanDerWaalsContact C-OE1 3.28Å; E282-Q286 PolarHBondContact O-N 3.16Å; E282-Q286 PolarHBondContact O-OE1 3Å; S283-Q286 PolarHBondContact O-N 3.21Å; Q286-T290 VanDerWaalsContact O-CB 3.25Å; Q286-T290 WeakPolarHBondContact O-CB 3.3Å; Q286-T290 PolarHBondContact O-N 3.32Å; Q286-T290 PolarHBondContact O-OG1 3.2Å
287D69.6Low62.9Low99 Ų9977.4 Ų77.453%0.52939%0.392SS..Hα-helixtrans-66.5-43.1174.7-71.5-30.5000111.4S283 S284 R285 T290 E291S283-D287 WeakPolarHBondContact O-CB 3.37Å; S283-D287 PolarHBondContact O-N 3.13Å; S283-D287 VanDerWaalsContact O-OD2 3.13Å; S284-D287 PolarHBondContact O-N 3.37Å; R285-D287 VanDerWaalsContact C-N 3.3Å; D287-T290 PolarHBondContact O-N 2.96Å; D287-E291 WeakPolarHBondContact O-CB 3.39Å; D287-E291 PolarHBondContact O-N 3.21Å
288E72.6Confident63.6Low91 Ų9179.1 Ų79.143%0.42539%0.394SS..Hα-helixtrans-62.6-44.5173.7-78.6177.1-146.900112.4S284 R285 T290 E291 I292S284-E288 WeakPolarHBondContact O-CB 3.47Å; S284-E288 WeakPolarHBondContact O-CG 3.4Å; S284-E288 PolarHBondContact O-N 3.44Å; R285-E288 PolarHBondContact O-N 3.32Å; E288-T290 VanDerWaalsContact C-N 3.35Å; E288-E291 PolarHBondContact O-N 3.45Å; E288-I292 WeakPolarHBondContact O-CB 3.42Å; E288-I292 WeakPolarHBondContact O-CD1 3.43Å; E288-I292 WeakPolarHBondContact O-CG1 3.5Å; E288-I292 PolarHBondContact O-N 3.03Å
289L68.3Low63.8Low6 Ų683.6 Ų83.63%0.03141%0.405CS..Hα-helixtrans-62.6-43.3174.4-75.5172.1000111.2A173 V174 F177 R285 E291 I292 F293A173-L289 HydrophobicContact CB-CD1 3.89Å; A173-L289 HydrophobicContact CB-CD2 3.94Å; V174-L289 HydrophobicContact CB-CD2 4.34Å; V174-L289 HydrophobicContact CG2-CD1 4.31Å; V174-L289 HydrophobicContact CG2-CD2 3.58Å; V174-L289 HydrophobicContact CG2-CG 3.65Å; F177-L289 HydrophobicContact CD2-CD2 3.78Å; F177-L289 HydrophobicContact CE2-CD2 4.19Å; R285-L289 WeakPolarHBondContact O-CB 3.38Å; R285-L289 VanDerWaalsContact O-CG 3.3Å; R285-L289 WeakPolarHBondContact O-CG 3.4Å; R285-L289 PolarHBondContact O-N 3.43Å; L289-E291 VanDerWaalsContact C-N 3.27Å; L289-E291 PolarHBondContact O-N 2.97Å; L289-I292 WeakPolarHBondContact O-CB 2.98Å; L289-I292 PolarHBondContact O-N 3.24Å; L289-F293 HydrophobicContact CB-CD2 4.43Å; L289-F293 HydrophobicContact CB-CE2 4.05Å; L289-F293 WeakPolarHBondContact O-CB 3.23Å; L289-F293 WeakPolarHBondContact O-CD2 3.13Å; L289-F293 VanDerWaalsContact O-CG 3.24Å; L289-F293 WeakPolarHBondContact O-CG 3.42Å; L289-F293 PolarHBondContact O-N 3.1Å
290T68.7Low64.1Low61 Ų6181.4 Ų81.437%0.37438%0.383SS..Hα-helixtrans-62.7-37.8176.3-57.80000111.1Q286 D287 E288 K294Q286-T290 VanDerWaalsContact O-CB 3.25Å; Q286-T290 WeakPolarHBondContact O-CB 3.3Å; Q286-T290 PolarHBondContact O-N 3.32Å; Q286-T290 PolarHBondContact O-OG1 3.2Å; D287-T290 PolarHBondContact O-N 2.96Å; E288-T290 VanDerWaalsContact C-N 3.35Å; T290-K294 HydrophobicContact CG2-CD 4.34Å; T290-K294 WeakPolarHBondContact O-CB 3.46Å; T290-K294 VanDerWaalsContact O-CG 3.23Å; T290-K294 WeakPolarHBondContact O-CG 3.27Å; T290-K294 PolarHBondContact O-N 3.42Å
291E71.2Confident64.4Low113 Ų11384.3 Ų84.353%0.52839%0.388SS..Hα-helixtrans-70.1-39.2174.7-170.9127.7-148.100111.9D287 E288 L289 K294 R295D287-E291 WeakPolarHBondContact O-CB 3.39Å; D287-E291 PolarHBondContact O-N 3.21Å; E288-E291 PolarHBondContact O-N 3.45Å; L289-E291 VanDerWaalsContact C-N 3.27Å; L289-E291 PolarHBondContact O-N 2.97Å; E291-K294 CarbonylContact O-C 3.6Å; E291-K294 PolarHBondContact O-N 3.02Å; E291-R295 WeakPolarHBondContact O-CB 3.38Å; E291-R295 PolarHBondContact O-N 3.37Å
292I71.6Confident64.9Low35 Ų3582 Ų8218%0.17937%0.374CS..Hα-helixtrans-60.4-50.6172.2-70.9162000110V174 F177 E288 L289 K294 R295 I296V174-I292 HydrophobicContact CG1-CD1 4.11Å; F177-I292 HydrophobicContact CB-CG2 4.28Å; F177-I292 HydrophobicContact CG-CG2 4.44Å; E288-I292 WeakPolarHBondContact O-CB 3.42Å; E288-I292 WeakPolarHBondContact O-CD1 3.43Å; E288-I292 WeakPolarHBondContact O-CG1 3.5Å; E288-I292 PolarHBondContact O-N 3.03Å; L289-I292 WeakPolarHBondContact O-CB 2.98Å; L289-I292 PolarHBondContact O-N 3.24Å; I292-K294 PolarHBondContact O-N 2.96Å; I292-R295 CarbonylContact O-C 3.58Å; I292-R295 WeakPolarHBondContact O-CA 3.38Å; I292-R295 PolarHBondContact O-N 3.17Å; I292-I296 HydrophobicContact CG2-CD1 3.56Å; I292-I296 HydrophobicContact CG2-CG1 4.29Å; I292-I296 VanDerWaalsContact O-CG1 3.27Å; I292-I296 WeakPolarHBondContact O-CG1 3.24Å; I292-I296 PolarHBondContact O-N 3.07Å
293F69.6Low65.4Low17 Ų1787.6 Ų87.68%0.07539%0.392CS..Hα-helixtrans-58.1-44.7175.2-66.6-47000112.1Q164 F177 L289 R295 R297 L381Q164-F293 HydrophobicContact CB-CE2 4.19Å; Q164-F293 HydrophobicContact CB-CZ 4.26Å; Q164-F293 HydrophobicContact CG-CD1 3.99Å; Q164-F293 HydrophobicContact CG-CD2 4.23Å; Q164-F293 HydrophobicContact CG-CE1 3.9Å; Q164-F293 HydrophobicContact CG-CE2 4.15Å; Q164-F293 HydrophobicContact CG-CG 4.18Å; Q164-F293 HydrophobicContact CG-CZ 3.99Å; F177-F293 HydrophobicContact CD1-CE1 4.46Å; F177-F293 HydrophobicContact CD2-CE1 4.4Å; F177-F293 HydrophobicContact CD2-CZ 4.42Å; F177-F293 AromaticContact CE1-CE1 3.66Å; F177-F293 HydrophobicContact CE1-CE1 3.66Å; F177-F293 HydrophobicContact CE1-CZ 4.4Å; F177-F293 AromaticContact CE2-CE1 3.61Å; F177-F293 HydrophobicContact CE2-CE1 3.61Å; F177-F293 AromaticContact CE2-CZ 3.52Å; F177-F293 HydrophobicContact CE2-CZ 3.52Å; F177-F293 HydrophobicContact CZ-CD1 4.39Å; F177-F293 AromaticContact CZ-CE1 3.2Å; F177-F293 HydrophobicContact CZ-CE1 3.2Å; F177-F293 AromaticContact CZ-CZ 3.53Å; F177-F293 HydrophobicContact CZ-CZ 3.53Å; L289-F293 HydrophobicContact CB-CD2 4.43Å; L289-F293 HydrophobicContact CB-CE2 4.05Å; L289-F293 WeakPolarHBondContact O-CB 3.23Å; L289-F293 WeakPolarHBondContact O-CD2 3.13Å; L289-F293 VanDerWaalsContact O-CG 3.24Å; L289-F293 WeakPolarHBondContact O-CG 3.42Å; L289-F293 PolarHBondContact O-N 3.1Å; F293-R295 PolarHBondContact O-N 2.97Å; F293-R297 VanDerWaalsContact O-CB 3.22Å; F293-R297 WeakPolarHBondContact O-CB 3.45Å; F293-R297 PolarHBondContact O-N 2.88Å; F293-L381 HydrophobicContact CD1-CD2 4.2Å; F293-L381 HydrophobicContact CE1-CD2 3.48Å; F293-L381 VanDerWaalsContact CE1-CD2 3.48Å; F293-L381 HydrophobicContact CZ-CD2 4.21Å
294K66.3Low66Low118 Ų11886.7 Ų86.751%0.51339%0.385SS..Hα-helixtrans-65.5-26.9174.7-76.6173.1-178.3171.40113.2T290 E291 I292 R298T290-K294 HydrophobicContact CG2-CD 4.34Å; T290-K294 WeakPolarHBondContact O-CB 3.46Å; T290-K294 VanDerWaalsContact O-CG 3.23Å; T290-K294 WeakPolarHBondContact O-CG 3.27Å; T290-K294 PolarHBondContact O-N 3.42Å; E291-K294 CarbonylContact O-C 3.6Å; E291-K294 PolarHBondContact O-N 3.02Å; I292-K294 PolarHBondContact O-N 2.96Å; K294-R298 VanDerWaalsContact O-CB 3.27Å; K294-R298 WeakPolarHBondContact O-CB 3.24Å; K294-R298 VanDerWaalsContact O-CG 3.28Å; K294-R298 WeakPolarHBondContact O-CG 3.32Å; K294-R298 PolarHBondContact O-N 3.38Å; K294-R298 PolarHBondContact O-NE 3.44Å
295R64.8Low66.7Low157 Ų15787.1 Ų87.159%0.59238%0.383SS*.Hα-helixtrans-84.9-37-178.8-163.1177.5-163.6129.6-0.8111.2E291 I292 F293 R298 K299E291-R295 WeakPolarHBondContact O-CB 3.38Å; E291-R295 PolarHBondContact O-N 3.37Å; I292-R295 CarbonylContact O-C 3.58Å; I292-R295 WeakPolarHBondContact O-CA 3.38Å; I292-R295 PolarHBondContact O-N 3.17Å; F293-R295 PolarHBondContact O-N 2.97Å; R295-R298 PolarHBondContact O-N 2.75Å; R295-K299 VanDerWaalsContact O-CB 3.27Å; R295-K299 WeakPolarHBondContact O-CB 3.47Å; R295-K299 WeakPolarHBondContact O-CG 3.38Å; R295-K299 PolarHBondContact O-N 3.01Å
296I63Low67.4Low10 Ų1087.9 Ų87.95%0.05140%0.399CS..Hα-helixtrans-63.3-52.4171.4-62.9160.4000108.6F177 I292 R298 K299 R300 L382 E385F177-I296 HydrophobicContact CD1-CD1 4.35Å; I292-I296 HydrophobicContact CG2-CD1 3.56Å; I292-I296 HydrophobicContact CG2-CG1 4.29Å; I292-I296 VanDerWaalsContact O-CG1 3.27Å; I292-I296 WeakPolarHBondContact O-CG1 3.24Å; I292-I296 PolarHBondContact O-N 3.07Å; I296-R298 PolarHBondContact O-N 3.41Å; I296-R298 VanDerWaalsContact O-N 3.13Å; I296-K299 PolarHBondContact O-N 3.5Å; I296-K299 VanDerWaalsContact O-N 3.13Å; I296-R300 PolarHBondContact O-N 3.31Å; I296-L382 HydrophobicContact CD1-CD2 3.86Å; I296-L382 HydrophobicContact CG1-CD2 4.44Å; I296-L382 HydrophobicContact CG2-CD2 3.82Å; I296-E385 WeakPolarHBondContact CG2-OE2 3.16Å
297R63.6Low68.4Low171 Ų17194.1 Ų94.165%0.64542%0.42SS*.Hα-helixtrans-57.8-27.9175.5-169.6175.4-179.1174.33.2114.7F293F293-R297 VanDerWaalsContact O-CB 3.22Å; F293-R297 WeakPolarHBondContact O-CB 3.45Å; F293-R297 PolarHBondContact O-N 2.88Å
298R56.8Low69.1Low142 Ų14289.5 Ų89.554%0.53640%0.395SS..Hα-helixtrans-88.5-34176.1-84.2-175.9-78176-4.3113.6K294 R295 I296 R300K294-R298 VanDerWaalsContact O-CB 3.27Å; K294-R298 WeakPolarHBondContact O-CB 3.24Å; K294-R298 VanDerWaalsContact O-CG 3.28Å; K294-R298 WeakPolarHBondContact O-CG 3.32Å; K294-R298 PolarHBondContact O-N 3.38Å; K294-R298 PolarHBondContact O-NE 3.44Å; R295-R298 PolarHBondContact O-N 2.75Å; I296-R298 PolarHBondContact O-N 3.41Å; I296-R298 VanDerWaalsContact O-N 3.13Å; R298-R300 PolarHBondContact O-N 2.98Å
299K53.8Low69.8Low154 Ų15485.9 Ų85.967%0.6738%0.379SS*.Hα-helixtrans-66.1-21.3-180-92.2-174.4165.6-165.20112.2R295 I296R295-K299 VanDerWaalsContact O-CB 3.27Å; R295-K299 WeakPolarHBondContact O-CB 3.47Å; R295-K299 WeakPolarHBondContact O-CG 3.38Å; R295-K299 PolarHBondContact O-N 3.01Å; I296-K299 PolarHBondContact O-N 3.5Å; I296-K299 VanDerWaalsContact O-N 3.13Å
300R56.1Low70.8Confident51 Ų5190.1 Ų90.119%0.19240%0.401CS..THydrogen-bonded Turntrans-120.430.3-174.5-54.1-179.6167.1-129.9-11.6113.5E188 I296 R298 F302 D386 E389E188-R300 IonicContact OE1-CZ 3.04Å; E188-R300 IonicContact OE1-NH1 3.49Å; E188-R300 IonicContact OE1-NH2 2.74Å; E188-R300 PolarHBondContact OE1-NH2 2.86Å; I296-R300 PolarHBondContact O-N 3.31Å; R298-R300 PolarHBondContact O-N 2.98Å; R300-F302 PolarHBondContact O-N 3.19Å; R300-D386 IonicContact NH1-OD1 3.13Å; R300-D386 PolarHBondContact NH1-OD1 3.17Å; R300-E389 WeakPolarHBondContact CB-OE1 3.48Å; R300-E389 WeakPolarHBondContact CB-OE2 3.25Å; R300-E389 WeakPolarHBondContact CD-OE2 3.3Å
301E57.2Low71.7Confident130 Ų13088.3 Ų88.361%0.60739%0.392SS*.  trans-46.9134.6173.8-78.8174-175.100112.3R303E301-R303 WeakPolarHBondContact O-CG 3.31Å; E301-R303 PolarHBondContact O-N 3.32Å
302F68Low72.6Confident42 Ų4283 Ų8318%0.18437%0.367CS..  trans-43.7115.6178.1169.9-102000110.9R300 P304 I323 L326 R327 N331R300-F302 PolarHBondContact O-N 3.19Å; F302-P304 HydrophobicContact CE1-CB 3.83Å; F302-P304 HydrophobicContact CE1-CG 4.5Å; F302-P304 HydrophobicContact CZ-CB 4.32Å; F302-P304 VanDerWaalsContact O-CD 3.28Å; F302-P304 WeakPolarHBondContact O-CD 3.37Å; F302-I323 HydrophobicContact CE1-CG2 4.4Å; F302-L326 HydrophobicContact CE1-CB 4.39Å; F302-L326 VanDerWaalsContact CZ-C 3.43Å; F302-L326 HydrophobicContact CZ-CB 4.01Å; F302-R327 HydrophobicContact CD1-CB 3.91Å; F302-R327 HydrophobicContact CD1-CG 4.12Å; F302-R327 HydrophobicContact CD2-CG 4.4Å; F302-R327 HydrophobicContact CE1-CB 3.68Å; F302-R327 HydrophobicContact CE1-CG 4.35Å; F302-R327 HydrophobicContact CE2-CB 4.39Å; F302-R327 HydrophobicContact CG-CB 4.36Å; F302-R327 HydrophobicContact CG-CG 4.15Å; F302-R327 HydrophobicContact CZ-CB 3.96Å; F302-R327 VanDerWaalsContact CZ-N 3.32Å; F302-N331 VanDerWaalsContact CZ-OD1 3.31Å; F302-N331 WeakPolarHBondContact CZ-OD1 3.38Å
303R69.2Low73.6Confident191 Ų19185 Ų8572%0.72138%0.377SS*.  trans-95107176.9-67.8-166.1179.9-175.93.1109.5E301 N331E301-R303 WeakPolarHBondContact O-CG 3.31Å; E301-R303 PolarHBondContact O-N 3.32Å; R303-N331 PolarHBondContact O-ND2 3.25Å
304P76.5Confident74.6Confident44 Ų4491.8 Ų91.829%0.28641%0.409SS..  trans-66.8138.5173.230-34.6000109.2F302 S306 V309 I323 L326 N331F302-P304 HydrophobicContact CE1-CB 3.83Å; F302-P304 HydrophobicContact CE1-CG 4.5Å; F302-P304 HydrophobicContact CZ-CB 4.32Å; F302-P304 VanDerWaalsContact O-CD 3.28Å; F302-P304 WeakPolarHBondContact O-CD 3.37Å; P304-S306 PolarHBondContact O-N 2.86Å; P304-V309 HydrophobicContact CB-CG2 3.62Å; P304-V309 HydrophobicContact CG-CG2 4.14Å; P304-I323 HydrophobicContact CB-CG1 4.44Å; P304-I323 HydrophobicContact CG-CG1 4.18Å; P304-L326 HydrophobicContact CB-CD1 4.09Å; P304-N331 WeakPolarHBondContact CA-OD1 3.11Å
305D80.3Confident75.6Confident62 Ų6291.5 Ų91.533%0.33241%0.411SS..  trans-60.8119.5174.6171.923.1000109.7R307 A308 V309 N331D305-R307 PolarHBondContact O-N 3.25Å; D305-R307 PolarHBondContact OD1-N 3.27Å; D305-R307 VanDerWaalsContact OD1-N 3.12Å; D305-A308 HydrophobicContact CB-CB 3.96Å; D305-A308 PolarHBondContact O-N 3.11Å; D305-A308 PolarHBondContact OD2-N 3Å; D305-V309 VanDerWaalsContact O-CG2 3.27Å; D305-V309 WeakPolarHBondContact O-CG2 3.38Å; D305-V309 PolarHBondContact O-N 3.07Å; D305-N331 HydrophobicContact CB-CB 4.29Å; D305-N331 PolarHBondContact N-OD1 3.11Å; D305-N331 VanDerWaalsContact N-OD1 3.11Å
306S83.1Confident76.6Confident87 Ų8787.1 Ų87.161%0.60842%0.415SS*.Hα-helixtrans-59.3-35.4-176.856.30000111.9P304 I310P304-S306 PolarHBondContact O-N 2.86Å; S306-I310 WeakPolarHBondContact O-CB 3.17Å; S306-I310 WeakPolarHBondContact O-CD1 3.23Å; S306-I310 WeakPolarHBondContact O-CG1 3.48Å; S306-I310 PolarHBondContact O-N 3.08Å
307R85.9Confident77.9Confident196 Ų19688.6 Ų88.674%0.7442%0.421SS*.Hα-helixtrans-68.7-47.1177.8-176.1179.4177.5177.9-0.1111.4D305 V309 I310 A311D305-R307 PolarHBondContact O-N 3.25Å; D305-R307 PolarHBondContact OD1-N 3.27Å; D305-R307 VanDerWaalsContact OD1-N 3.12Å; R307-V309 VanDerWaalsContact C-N 3.32Å; R307-V309 PolarHBondContact O-N 3.05Å; R307-I310 PolarHBondContact O-N 3.13Å; R307-A311 WeakPolarHBondContact O-CB 3.32Å; R307-A311 PolarHBondContact O-N 2.83Å
308A85.3Confident79.2Confident1 Ų185.4 Ų85.41%0.00842%0.417CS..Hα-helixtrans-63.4-38.8176.800000112D305 L312 L326 Q333D305-A308 HydrophobicContact CB-CB 3.96Å; D305-A308 PolarHBondContact O-N 3.11Å; D305-A308 PolarHBondContact OD2-N 3Å; A308-L312 WeakPolarHBondContact O-CB 3.35Å; A308-L312 VanDerWaalsContact O-CG 3.28Å; A308-L312 WeakPolarHBondContact O-CG 3.34Å; A308-L312 PolarHBondContact O-N 3.39Å; A308-L326 HydrophobicContact CB-CD1 4.15Å; A308-L326 HydrophobicContact CB-CD2 3.78Å; A308-Q333 HydrophobicContact CB-CB 4.12Å; A308-Q333 HydrophobicContact CB-CG 4.35Å
309V87.3Confident80.7Confident15 Ų1583.9 Ų83.99%0.09142%0.416CS..Hα-helixtrans-60.8-52.9175.7171.80000110.8P304 D305 R307 A311 L312 M313 V322 L326P304-V309 HydrophobicContact CB-CG2 3.62Å; P304-V309 HydrophobicContact CG-CG2 4.14Å; D305-V309 VanDerWaalsContact O-CG2 3.27Å; D305-V309 WeakPolarHBondContact O-CG2 3.38Å; D305-V309 PolarHBondContact O-N 3.07Å; R307-V309 VanDerWaalsContact C-N 3.32Å; R307-V309 PolarHBondContact O-N 3.05Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 3.1Å; V309-L312 PolarHBondContact O-N 3.24Å; V309-M313 HydrophobicContact CG1-CG 4.27Å; V309-M313 HydrophobicContact CG1-SD 3.59Å; V309-M313 VanDerWaalsContact CG1-SD 3.59Å; V309-M313 WeakPolarHBondContact O-CB 3.27Å; V309-M313 VanDerWaalsContact O-CG 3.25Å; V309-M313 WeakPolarHBondContact O-CG 3.44Å; V309-M313 PolarHBondContact O-N 2.82Å; V309-V322 HydrophobicContact CB-CG1 4.27Å; V309-V322 HydrophobicContact CG1-CG1 4.28Å; V309-V322 HydrophobicContact CG2-CG1 4.15Å; V309-L326 HydrophobicContact CB-CD1 4.47Å; V309-L326 HydrophobicContact CG2-CD1 3.47Å; V309-L326 VanDerWaalsContact CG2-CD1 3.47Å
310I88.2Confident82.3Confident96 Ų9684.7 Ų84.749%0.49242%0.419SS..Hα-helixtrans-59-47.5-179.8-68163.3000110.2S306 R307 L312 M313 E314S306-I310 WeakPolarHBondContact O-CB 3.17Å; S306-I310 WeakPolarHBondContact O-CD1 3.23Å; S306-I310 WeakPolarHBondContact O-CG1 3.48Å; S306-I310 PolarHBondContact O-N 3.08Å; R307-I310 PolarHBondContact O-N 3.13Å; I310-L312 VanDerWaalsContact C-N 3.35Å; I310-L312 PolarHBondContact O-N 2.67Å; I310-M313 PolarHBondContact O-N 2.85Å; I310-E314 HydrophobicContact CG2-CG 4.35Å; I310-E314 WeakPolarHBondContact O-CG 3.36Å; I310-E314 PolarHBondContact O-N 2.88Å
311A88.6Confident83.7Confident23 Ų2384 Ų8419%0.1942%0.418CS..Hα-helixtrans-62-40.8-178.500000112.6R307 V309 E314 M315 Q333R307-A311 WeakPolarHBondContact O-CB 3.32Å; R307-A311 PolarHBondContact O-N 2.83Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 3.1Å; A311-E314 PolarHBondContact O-N 3.45Å; A311-M315 WeakPolarHBondContact O-CG 3.5Å; A311-M315 PolarHBondContact O-N 3.14Å; A311-Q333 VanDerWaalsContact CB-NE2 3.27Å
312L90.5Very high85.2Confident0 Ų077.8 Ų77.80%039%0.389CS..Hα-helixtrans-71.9-35.6176.4-68.8168.3000111.7A308 V309 I310 M315 F317 V322 L326 Q333 A336 C337 L340A308-L312 WeakPolarHBondContact O-CB 3.35Å; A308-L312 VanDerWaalsContact O-CG 3.28Å; A308-L312 WeakPolarHBondContact O-CG 3.34Å; A308-L312 PolarHBondContact O-N 3.39Å; V309-L312 PolarHBondContact O-N 3.24Å; I310-L312 VanDerWaalsContact C-N 3.35Å; I310-L312 PolarHBondContact O-N 2.67Å; L312-M315 HydrophobicContact CD2-SD 4.21Å; L312-M315 WeakPolarHBondContact O-CB 3.19Å; L312-M315 PolarHBondContact O-N 3.02Å; L312-F317 HydrophobicContact CB-CD2 4.33Å; L312-F317 HydrophobicContact CD2-CD2 4.27Å; L312-F317 HydrophobicContact CD2-CE2 4.38Å; L312-F317 VanDerWaalsContact O-CD2 3.23Å; L312-F317 WeakPolarHBondContact O-CD2 3.27Å; L312-F317 PolarHBondContact O-N 3.33Å; L312-V322 HydrophobicContact CB-CB 4.35Å; L312-V322 HydrophobicContact CB-CG1 3.73Å; L312-V322 HydrophobicContact CB-CG2 3.63Å; L312-V322 HydrophobicContact CD1-CG1 3.79Å; L312-V322 HydrophobicContact CG-CG1 4.4Å; L312-L326 HydrophobicContact CD1-CD1 4.43Å; L312-L326 HydrophobicContact CD1-CD2 4.08Å; L312-L326 HydrophobicContact CD1-CG 4.19Å; L312-Q333 HydrophobicContact CD1-CG 4.46Å; L312-Q333 HydrophobicContact CD2-CG 4.36Å; L312-Q333 HydrophobicContact CG-CG 4.23Å; L312-A336 HydrophobicContact CD1-CB 3.97Å; L312-C337 HydrophobicContact CD2-CB 3.87Å; L312-L340 HydrophobicContact CD1-CD1 4.34Å; L312-L340 HydrophobicContact CD2-CD1 4.19Å
313M91Very high86Confident77 Ų7777.7 Ų77.738%0.37939%0.39SS..Hα-helixtrans-65.3-37.9173-72.2177.569.300112.3V309 I310 M315 G316 E319 V322V309-M313 HydrophobicContact CG1-CG 4.27Å; V309-M313 HydrophobicContact CG1-SD 3.59Å; V309-M313 VanDerWaalsContact CG1-SD 3.59Å; V309-M313 WeakPolarHBondContact O-CB 3.27Å; V309-M313 VanDerWaalsContact O-CG 3.25Å; V309-M313 WeakPolarHBondContact O-CG 3.44Å; V309-M313 PolarHBondContact O-N 2.82Å; I310-M313 PolarHBondContact O-N 2.85Å; M313-M315 PolarHBondContact O-N 3.35Å; M313-G316 WeakPolarHBondContact O-CA 3.42Å; M313-G316 PolarHBondContact O-N 2.98Å; M313-E319 HydrophobicContact CE-CB 3.98Å; M313-E319 HydrophobicContact CE-CG 4.34Å; M313-E319 HydrophobicContact SD-CB 3.94Å; M313-E319 HydrophobicContact SD-CG 3.92Å; M313-V322 HydrophobicContact CG-CG2 4.45Å
314E90.9Very high86.7Confident160 Ų16071.1 Ų71.175%0.74837%0.369SS*.Hα-helixtrans-63.3-28.7173.9-75.6-177.7167.700112.6I310 A311 G316I310-E314 HydrophobicContact CG2-CG 4.35Å; I310-E314 WeakPolarHBondContact O-CG 3.36Å; I310-E314 PolarHBondContact O-N 2.88Å; A311-E314 PolarHBondContact O-N 3.45Å; E314-G316 PolarHBondContact O-N 3.25Å
315M87.3Confident87.1Confident112 Ų11269 Ų6955%0.55236%0.356SS*.THydrogen-bonded Turntrans-72.9-6.2171.4-64.4176.978.100113.1A311 L312 M313 F317A311-M315 WeakPolarHBondContact O-CG 3.5Å; A311-M315 PolarHBondContact O-N 3.14Å; L312-M315 HydrophobicContact CD2-SD 4.21Å; L312-M315 WeakPolarHBondContact O-CB 3.19Å; L312-M315 PolarHBondContact O-N 3.02Å; M313-M315 PolarHBondContact O-N 3.35Å; M315-F317 HydrophobicContact CB-CD2 3.84Å; M315-F317 HydrophobicContact CB-CE2 3.76Å; M315-F317 HydrophobicContact CE-CE2 4.36Å; M315-F317 HydrophobicContact SD-CE2 4.34Å
316G87.1Confident87.1Confident66 Ų6666.1 Ų66.168%0.6834%0.34SS*.THydrogen-bonded Turntrans94.314.5176.400000114.7M313 E314M313-G316 WeakPolarHBondContact O-CA 3.42Å; M313-G316 PolarHBondContact O-N 2.98Å; E314-G316 PolarHBondContact O-N 3.25Å
317F90.3Very high86.9Confident40 Ų4065.6 Ų65.618%0.17533%0.325CS..  trans-81.9146.5174.5-60.9-68.7000111.6L312 M315 V322 L340 L341L312-F317 HydrophobicContact CB-CD2 4.33Å; L312-F317 HydrophobicContact CD2-CD2 4.27Å; L312-F317 HydrophobicContact CD2-CE2 4.38Å; L312-F317 VanDerWaalsContact O-CD2 3.23Å; L312-F317 WeakPolarHBondContact O-CD2 3.27Å; L312-F317 PolarHBondContact O-N 3.33Å; M315-F317 HydrophobicContact CB-CD2 3.84Å; M315-F317 HydrophobicContact CB-CE2 3.76Å; M315-F317 HydrophobicContact CE-CE2 4.36Å; M315-F317 HydrophobicContact SD-CE2 4.34Å; F317-V322 HydrophobicContact CB-CG2 3.52Å; F317-L340 HydrophobicContact CB-CD1 4.17Å; F317-L340 HydrophobicContact CD1-CB 4.05Å; F317-L340 HydrophobicContact CD1-CD1 4.12Å; F317-L340 HydrophobicContact CD1-CD2 4.38Å; F317-L340 HydrophobicContact CD1-CG 4.41Å; F317-L340 HydrophobicContact CD2-CD1 3.86Å; F317-L340 HydrophobicContact CE1-CB 3.81Å; F317-L340 HydrophobicContact CE1-CD1 4.48Å; F317-L340 HydrophobicContact CE2-CD1 4.26Å; F317-L340 HydrophobicContact CG-CD1 3.8Å; F317-L340 HydrophobicContact CZ-CB 4.12Å; F317-L341 HydrophobicContact CE1-CD2 4.14Å; F317-L341 HydrophobicContact CZ-CD2 3.81Å; F317-L341 HydrophobicContact CZ-CG 4.04Å
318D89.9Confident86.5Confident105 Ų10557 Ų5756%0.56129%0.294SS*.  trans-69136.1176.3-74.4-51.6000110.8K320 E321 V322D318-K320 PolarHBondContact O-N 3.05Å; D318-K320 VanDerWaalsContact O-N 3.12Å; D318-E321 HydrophobicContact CB-CB 4.39Å; D318-E321 HydrophobicContact CB-CG 4Å; D318-E321 WeakPolarHBondContact O-CB 2.87Å; D318-E321 PolarHBondContact O-N 2.97Å; D318-V322 WeakPolarHBondContact O-CG2 3.27Å; D318-V322 PolarHBondContact O-N 3.43Å
319E88.1Confident86.1Confident110 Ų11057.2 Ų57.251%0.51430%0.295SS..Hα-helixtrans-51.3-41-178.1-175.3-179.8-178.400112.9M313 E321 V322 I323M313-E319 HydrophobicContact CE-CB 3.98Å; M313-E319 HydrophobicContact CE-CG 4.34Å; M313-E319 HydrophobicContact SD-CB 3.94Å; M313-E319 HydrophobicContact SD-CG 3.92Å; E319-E321 PolarHBondContact O-N 3.48Å; E319-V322 PolarHBondContact O-N 2.88Å; E319-I323 HydrophobicContact CG-CD1 3.99Å; E319-I323 VanDerWaalsContact O-CG1 3.23Å; E319-I323 WeakPolarHBondContact O-CG1 3.48Å; E319-I323 PolarHBondContact O-N 3.29Å
320K87.2Confident85.4Confident170 Ų17059.4 Ų59.474%0.73931%0.306SS*.Hα-helixtrans-63-43.6177.4-66.4-179.9-179.1177.40112.3D318 V322 I323 D324D318-K320 PolarHBondContact O-N 3.05Å; D318-K320 VanDerWaalsContact O-N 3.12Å; K320-V322 VanDerWaalsContact C-N 3.32Å; K320-I323 PolarHBondContact O-N 3.14Å; K320-D324 PolarHBondContact O-N 3.29Å
321E86.8Confident85Confident36 Ų3657.4 Ų57.417%0.16830%0.296CS..Hα-helixtrans-68.8-36.8179.3-58.6-171.9146.800110.7D318 E319 D324 A325 L340 R344D318-E321 HydrophobicContact CB-CB 4.39Å; D318-E321 HydrophobicContact CB-CG 4Å; D318-E321 WeakPolarHBondContact O-CB 2.87Å; D318-E321 PolarHBondContact O-N 2.97Å; E319-E321 PolarHBondContact O-N 3.48Å; E321-D324 PolarHBondContact O-N 3.42Å; E321-A325 VanDerWaalsContact O-CB 3.25Å; E321-A325 WeakPolarHBondContact O-CB 3.49Å; E321-A325 PolarHBondContact O-N 3.19Å; E321-L340 HydrophobicContact CB-CD2 3.67Å; E321-R344 VanDerWaalsContact CD-NH1 3.32Å; E321-R344 IonicContact OE1-CZ 2.67Å; E321-R344 IonicContact OE1-NH1 3Å; E321-R344 PolarHBondContact OE1-NH1 2.88Å; E321-R344 IonicContact OE1-NH2 3.79Å; E321-R344 PolarHBondContact OE1-NH2 2.97Å; E321-R344 IonicContact OE2-CZ 2.69Å; E321-R344 IonicContact OE2-NH1 2.88Å; E321-R344 IonicContact OE2-NH2 2.68Å; E321-R344 PolarHBondContact OE2-NH2 3.11Å
322V88.3Confident84.6Confident0 Ų061.4 Ų61.40%031%0.311CS..Hα-helixtrans-63.1-46.4175.2171.10000111.4V309 L312 M313 F317 D318 E319 K320 D324 A325 L326 L340V309-V322 HydrophobicContact CB-CG1 4.27Å; V309-V322 HydrophobicContact CG1-CG1 4.28Å; V309-V322 HydrophobicContact CG2-CG1 4.15Å; L312-V322 HydrophobicContact CB-CB 4.35Å; L312-V322 HydrophobicContact CB-CG1 3.73Å; L312-V322 HydrophobicContact CB-CG2 3.63Å; L312-V322 HydrophobicContact CD1-CG1 3.79Å; L312-V322 HydrophobicContact CG-CG1 4.4Å; M313-V322 HydrophobicContact CG-CG2 4.45Å; F317-V322 HydrophobicContact CB-CG2 3.52Å; D318-V322 WeakPolarHBondContact O-CG2 3.27Å; D318-V322 PolarHBondContact O-N 3.43Å; E319-V322 PolarHBondContact O-N 2.88Å; K320-V322 VanDerWaalsContact C-N 3.32Å; V322-D324 VanDerWaalsContact C-N 3.33Å; V322-D324 PolarHBondContact O-N 3.26Å; V322-A325 PolarHBondContact O-N 3.17Å; V322-L326 HydrophobicContact CG1-CD1 3.81Å; V322-L326 HydrophobicContact CG1-CG 4.41Å; V322-L326 WeakPolarHBondContact O-CB 3.45Å; V322-L326 VanDerWaalsContact O-CG 3.26Å; V322-L326 WeakPolarHBondContact O-CG 3.26Å; V322-L326 PolarHBondContact O-N 3.17Å; V322-L340 HydrophobicContact CG2-CD1 4.19Å
323I84.7Confident84.3Confident41 Ų4164.7 Ų64.721%0.2133%0.327CS..Hα-helixtrans-61.4-43.9176.9-67.6166.8000110.5F302 P304 E319 K320 L326 R327F302-I323 HydrophobicContact CE1-CG2 4.4Å; P304-I323 HydrophobicContact CB-CG1 4.44Å; P304-I323 HydrophobicContact CG-CG1 4.18Å; E319-I323 HydrophobicContact CG-CD1 3.99Å; E319-I323 VanDerWaalsContact O-CG1 3.23Å; E319-I323 WeakPolarHBondContact O-CG1 3.48Å; E319-I323 PolarHBondContact O-N 3.29Å; K320-I323 PolarHBondContact O-N 3.14Å; I323-L326 PolarHBondContact O-N 3.04Å; I323-R327 VanDerWaalsContact O-CB 3.28Å; I323-R327 WeakPolarHBondContact O-CB 3.09Å; I323-R327 PolarHBondContact O-N 2.89Å
324D83.5Confident84Confident53 Ų5367.7 Ų67.728%0.28334%0.344SS..Hα-helixtrans-65.5-40.4177.9-74.1-18.7000112K320 E321 V322 R327 V328 W339 P348K320-D324 PolarHBondContact O-N 3.29Å; E321-D324 PolarHBondContact O-N 3.42Å; V322-D324 VanDerWaalsContact C-N 3.33Å; V322-D324 PolarHBondContact O-N 3.26Å; D324-R327 PolarHBondContact O-N 3.27Å; D324-R327 IonicContact OD1-NH1 2.75Å; D324-R327 PolarHBondContact OD1-NH1 2.99Å; D324-V328 VanDerWaalsContact O-CG2 3.25Å; D324-V328 WeakPolarHBondContact O-CG2 3.44Å; D324-V328 PolarHBondContact O-N 3.35Å; D324-W339 HydrophobicContact CB-CH2 4.37Å; D324-P348 HydrophobicContact CB-CG 3.79Å
325A84.3Confident83.6Confident0 Ų060.6 Ų60.60%031%0.313CS..Hα-helixtrans-64.8-42.5176.800000112.2E321 V322 R327 V328 N329 A336 W339 L340E321-A325 VanDerWaalsContact O-CB 3.25Å; E321-A325 WeakPolarHBondContact O-CB 3.49Å; E321-A325 PolarHBondContact O-N 3.19Å; V322-A325 PolarHBondContact O-N 3.17Å; A325-R327 VanDerWaalsContact C-N 3.34Å; A325-V328 PolarHBondContact O-N 3.23Å; A325-N329 WeakPolarHBondContact O-CB 3.1Å; A325-N329 PolarHBondContact O-N 3.45Å; A325-N329 PolarHBondContact O-ND2 2.66Å; A325-A336 HydrophobicContact CB-CB 3.83Å; A325-W339 HydrophobicContact CB-CD2 4.23Å; A325-W339 HydrophobicContact CB-CE3 3.41Å; A325-W339 VanDerWaalsContact CB-CE3 3.41Å; A325-W339 HydrophobicContact CB-CZ3 3.82Å; A325-L340 HydrophobicContact CB-CD1 3.97Å; A325-L340 HydrophobicContact CB-CD2 3.95Å; A325-L340 HydrophobicContact CB-CG 3.63Å
326L81.5Confident83.5Confident0 Ų055.3 Ų55.30%029%0.287CS..Hα-helixtrans-68.4-35.4175.7-69.9170.1000111.2F302 P304 A308 V309 L312 V322 I323 N329 N330 N331 A336F302-L326 HydrophobicContact CE1-CB 4.39Å; F302-L326 VanDerWaalsContact CZ-C 3.43Å; F302-L326 HydrophobicContact CZ-CB 4.01Å; P304-L326 HydrophobicContact CB-CD1 4.09Å; A308-L326 HydrophobicContact CB-CD1 4.15Å; A308-L326 HydrophobicContact CB-CD2 3.78Å; V309-L326 HydrophobicContact CB-CD1 4.47Å; V309-L326 HydrophobicContact CG2-CD1 3.47Å; V309-L326 VanDerWaalsContact CG2-CD1 3.47Å; L312-L326 HydrophobicContact CD1-CD1 4.43Å; L312-L326 HydrophobicContact CD1-CD2 4.08Å; L312-L326 HydrophobicContact CD1-CG 4.19Å; V322-L326 HydrophobicContact CG1-CD1 3.81Å; V322-L326 HydrophobicContact CG1-CG 4.41Å; V322-L326 WeakPolarHBondContact O-CB 3.45Å; V322-L326 VanDerWaalsContact O-CG 3.26Å; V322-L326 WeakPolarHBondContact O-CG 3.26Å; V322-L326 PolarHBondContact O-N 3.17Å; I323-L326 PolarHBondContact O-N 3.04Å; L326-N329 CarbonylContact O-C 3.5Å; L326-N329 PolarHBondContact O-N 2.95Å; L326-N330 PolarHBondContact O-N 3.37Å; L326-N331 PolarHBondContact O-N 3.49Å; L326-A336 HydrophobicContact CD2-CB 3.76Å; L326-A336 HydrophobicContact CG-CB 4.19Å
327R77.8Confident83.4Confident77 Ų7753.2 Ų53.229%0.29126%0.262SS..Hα-helixtrans-63.8-43.4174.7-173.2-177.6-70.4137.6-0.9111.7F302 I323 D324 A325 N329F302-R327 HydrophobicContact CD1-CB 3.91Å; F302-R327 HydrophobicContact CD1-CG 4.12Å; F302-R327 HydrophobicContact CD2-CG 4.4Å; F302-R327 HydrophobicContact CE1-CB 3.68Å; F302-R327 HydrophobicContact CE1-CG 4.35Å; F302-R327 HydrophobicContact CE2-CB 4.39Å; F302-R327 HydrophobicContact CG-CB 4.36Å; F302-R327 HydrophobicContact CG-CG 4.15Å; F302-R327 HydrophobicContact CZ-CB 3.96Å; F302-R327 VanDerWaalsContact CZ-N 3.32Å; I323-R327 VanDerWaalsContact O-CB 3.28Å; I323-R327 WeakPolarHBondContact O-CB 3.09Å; I323-R327 PolarHBondContact O-N 2.89Å; D324-R327 PolarHBondContact O-N 3.27Å; D324-R327 IonicContact OD1-NH1 2.75Å; D324-R327 PolarHBondContact OD1-NH1 2.99Å; A325-R327 VanDerWaalsContact C-N 3.34Å; R327-N329 VanDerWaalsContact C-N 3.34Å
328V77.4Confident83.3Confident15 Ų1556.1 Ų56.19%0.09128%0.276CS..Hα-helixtrans-69.7-33.4178.7173.10000111.9D324 A325 W339 P348 L351D324-V328 VanDerWaalsContact O-CG2 3.25Å; D324-V328 WeakPolarHBondContact O-CG2 3.44Å; D324-V328 PolarHBondContact O-N 3.35Å; A325-V328 PolarHBondContact O-N 3.23Å; V328-W339 HydrophobicContact CG2-CZ2 4.25Å; V328-P348 HydrophobicContact CG2-CB 4.32Å; V328-P348 HydrophobicContact CG2-CG 3.94Å; V328-L351 HydrophobicContact CB-CD1 3.95Å; V328-L351 HydrophobicContact CG1-CD1 4.1Å; V328-L351 HydrophobicContact CG2-CD1 3.58Å
329N77.3Confident83.1Confident6 Ų652.2 Ų52.23%0.03225%0.253CS..THydrogen-bonded Turntrans-10717.6-173.4-64-72.8000114R146 A325 L326 R327 N331 Q332 A335 A336 W339R146-N329 PolarHBondContact NH2-OD1 3.28Å; A325-N329 WeakPolarHBondContact O-CB 3.1Å; A325-N329 PolarHBondContact O-N 3.45Å; A325-N329 PolarHBondContact O-ND2 2.66Å; L326-N329 CarbonylContact O-C 3.5Å; L326-N329 PolarHBondContact O-N 2.95Å; R327-N329 VanDerWaalsContact C-N 3.34Å; N329-N331 PolarHBondContact O-N 3.1Å; N329-Q332 HydrophobicContact CB-CB 4.49Å; N329-Q332 VanDerWaalsContact O-CB 3.25Å; N329-Q332 WeakPolarHBondContact O-CB 3.28Å; N329-Q332 VanDerWaalsContact O-CG 3.3Å; N329-Q332 WeakPolarHBondContact O-CG 3.36Å; N329-Q332 PolarHBondContact O-N 3.43Å; N329-Q332 VanDerWaalsContact O-N 3.1Å; N329-A335 HydrophobicContact CB-CB 3.84Å; N329-A335 PolarHBondContact ND2-O 3.1Å; N329-A336 HydrophobicContact CB-CB 4.49Å; N329-W339 WeakPolarHBondContact ND2-CB 3.17Å
330N73.8Confident83Confident60 Ų6047.4 Ų47.432%0.32123%0.231SC..THydrogen-bonded Turntrans53.151.9176.4-56.1-31.6000113.5L326 Q332 P391L326-N330 PolarHBondContact O-N 3.37Å; N330-Q332 PolarHBondContact O-N 3.12Å; N330-P391 HydrophobicContact CB-CG 4.45Å; N330-P391 WeakPolarHBondContact OD1-CG 3.35Å
331N77.9Confident82.9Confident54 Ų5445.3 Ų45.329%0.28923%0.227SC..THydrogen-bonded Turntrans59.513.6-177.7-74.1-33.1000115.7F302 R303 P304 D305 L326 N329 Q333F302-N331 VanDerWaalsContact CZ-OD1 3.31Å; F302-N331 WeakPolarHBondContact CZ-OD1 3.38Å; R303-N331 PolarHBondContact O-ND2 3.25Å; P304-N331 WeakPolarHBondContact CA-OD1 3.11Å; D305-N331 HydrophobicContact CB-CB 4.29Å; D305-N331 PolarHBondContact N-OD1 3.11Å; D305-N331 VanDerWaalsContact N-OD1 3.11Å; L326-N331 PolarHBondContact O-N 3.49Å; N329-N331 PolarHBondContact O-N 3.1Å; N331-Q333 PolarHBondContact O-N 2.94Å
332Q80.6Confident82.7Confident107 Ų10745.5 Ų45.550%0.524%0.239SC..  trans-76.5108.5172.4-65.8-179.5-7.900110.5N329 N330 D334 A335 A336N329-Q332 HydrophobicContact CB-CB 4.49Å; N329-Q332 VanDerWaalsContact O-CB 3.25Å; N329-Q332 WeakPolarHBondContact O-CB 3.28Å; N329-Q332 VanDerWaalsContact O-CG 3.3Å; N329-Q332 WeakPolarHBondContact O-CG 3.36Å; N329-Q332 PolarHBondContact O-N 3.43Å; N329-Q332 VanDerWaalsContact O-N 3.1Å; N330-Q332 PolarHBondContact O-N 3.12Å; Q332-D334 PolarHBondContact O-N 3.21Å; Q332-A335 HydrophobicContact CB-CB 3.98Å; Q332-A335 PolarHBondContact O-N 3.49Å; Q332-A336 WeakPolarHBondContact O-CB 3.32Å; Q332-A336 PolarHBondContact O-N 3Å
333Q84.4Confident82Confident70 Ų7051.6 Ų51.633%0.32727%0.271SS..Hα-helixtrans-58.2-45.1-178.2-173.8-177.5-17.500112.8A308 A311 L312 N331 A336 C337A308-Q333 HydrophobicContact CB-CB 4.12Å; A308-Q333 HydrophobicContact CB-CG 4.35Å; A311-Q333 VanDerWaalsContact CB-NE2 3.27Å; L312-Q333 HydrophobicContact CD1-CG 4.46Å; L312-Q333 HydrophobicContact CD2-CG 4.36Å; L312-Q333 HydrophobicContact CG-CG 4.23Å; N331-Q333 PolarHBondContact O-N 2.94Å; Q333-A336 PolarHBondContact O-N 2.85Å; Q333-C337 WeakPolarHBondContact O-CB 3.36Å; Q333-C337 PolarHBondContact O-N 2.85Å
334D84.8Confident81.5Confident139 Ų13954 Ų5474%0.74328%0.278SS*.Hα-helixtrans-65.5-45-177.4-65.4-31.7000112Q332 C337 E338Q332-D334 PolarHBondContact O-N 3.21Å; D334-C337 WeakPolarHBondContact O-CB 3.26Å; D334-C337 PolarHBondContact O-N 3.49Å; D334-E338 PolarHBondContact O-N 3.23Å
335A82.9Confident80.9Confident12 Ų1259.4 Ų59.410%0.09930%0.299CS..Hα-helixtrans-70.5-34.2178.100000111.9N329 Q332 E338 W339N329-A335 HydrophobicContact CB-CB 3.84Å; N329-A335 PolarHBondContact ND2-O 3.1Å; Q332-A335 HydrophobicContact CB-CB 3.98Å; Q332-A335 PolarHBondContact O-N 3.49Å; A335-E338 PolarHBondContact O-N 3.2Å; A335-W339 VanDerWaalsContact O-CB 3.31Å; A335-W339 WeakPolarHBondContact O-CB 3.48Å; A335-W339 PolarHBondContact O-N 3.44Å
336A85.2Confident80.1Confident0 Ų062.6 Ų62.60%032%0.319CS..Hα-helixtrans-64.5-41.3171.500000111.5L312 A325 L326 N329 Q332 Q333 W339 L340L312-A336 HydrophobicContact CD1-CB 3.97Å; A325-A336 HydrophobicContact CB-CB 3.83Å; L326-A336 HydrophobicContact CD2-CB 3.76Å; L326-A336 HydrophobicContact CG-CB 4.19Å; N329-A336 HydrophobicContact CB-CB 4.49Å; Q332-A336 WeakPolarHBondContact O-CB 3.32Å; Q332-A336 PolarHBondContact O-N 3Å; Q333-A336 PolarHBondContact O-N 2.85Å; A336-W339 PolarHBondContact O-N 2.91Å; A336-L340 WeakPolarHBondContact O-CB 3.22Å; A336-L340 VanDerWaalsContact O-CG 3.24Å; A336-L340 WeakPolarHBondContact O-CG 3.38Å; A336-L340 PolarHBondContact O-N 2.95Å
337C85.6Confident79.5Confident22 Ų2264.1 Ų64.115%0.14933%0.33CS..Hα-helixtrans-62.4-45.8173.7-170.70000111.6L312 Q333 D334 W339 L340 L341L312-C337 HydrophobicContact CD2-CB 3.87Å; Q333-C337 WeakPolarHBondContact O-CB 3.36Å; Q333-C337 PolarHBondContact O-N 2.85Å; D334-C337 WeakPolarHBondContact O-CB 3.26Å; D334-C337 PolarHBondContact O-N 3.49Å; C337-W339 VanDerWaalsContact C-N 3.32Å; C337-W339 PolarHBondContact O-N 2.76Å; C337-L340 PolarHBondContact O-N 3.13Å; C337-L341 WeakPolarHBondContact O-CB 3.41Å; C337-L341 VanDerWaalsContact O-CG 3.31Å; C337-L341 WeakPolarHBondContact O-CG 3.27Å; C337-L341 PolarHBondContact O-N 3.25Å
338E86.4Confident78.8Confident102 Ų10261.6 Ų61.648%0.47732%0.324SS..Hα-helixtrans-60.2-42175-172.8176.2-174.200111.7D334 A335 L341 G342D334-E338 PolarHBondContact O-N 3.23Å; A335-E338 PolarHBondContact O-N 3.2Å; E338-L341 PolarHBondContact O-N 2.93Å; E338-G342 PolarHBondContact O-N 3.03Å
339W86.1Confident78.2Confident22 Ų2267.9 Ų67.98%0.08335%0.352CS..Hα-helixtrans-65.2-40177.1-175.396.6000112.5D324 A325 V328 N329 A335 A336 C337 L341 G342 R344 P346 P348D324-W339 HydrophobicContact CB-CH2 4.37Å; A325-W339 HydrophobicContact CB-CD2 4.23Å; A325-W339 HydrophobicContact CB-CE3 3.41Å; A325-W339 VanDerWaalsContact CB-CE3 3.41Å; A325-W339 HydrophobicContact CB-CZ3 3.82Å; V328-W339 HydrophobicContact CG2-CZ2 4.25Å; N329-W339 WeakPolarHBondContact ND2-CB 3.17Å; A335-W339 VanDerWaalsContact O-CB 3.31Å; A335-W339 WeakPolarHBondContact O-CB 3.48Å; A335-W339 PolarHBondContact O-N 3.44Å; A336-W339 PolarHBondContact O-N 2.91Å; C337-W339 VanDerWaalsContact C-N 3.32Å; C337-W339 PolarHBondContact O-N 2.76Å; W339-L341 VanDerWaalsContact C-N 3.35Å; W339-G342 PolarHBondContact O-N 3.31Å; W339-R344 HydrophobicContact CD2-CB 4.36Å; W339-R344 HydrophobicContact CD2-CG 4.49Å; W339-R344 HydrophobicContact CE3-CG 4.27Å; W339-R344 HydrophobicContact CH2-CB 3.92Å; W339-R344 HydrophobicContact CH2-CG 4.14Å; W339-R344 HydrophobicContact CZ2-CB 3.67Å; W339-R344 HydrophobicContact CZ2-CG 4.33Å; W339-R344 WeakPolarHBondContact CZ2-O 3.38Å; W339-R344 HydrophobicContact CZ3-CB 4.34Å; W339-R344 HydrophobicContact CZ3-CG 4.11Å; W339-R344 VanDerWaalsContact NE1-C 3.33Å; W339-P346 PolarHBondContact NE1-O 3.49Å; W339-P348 HydrophobicContact CH2-CG 4.47Å; W339-P348 HydrophobicContact CZ2-CG 4.39Å
340L86.1Confident77.7Confident10 Ų1071 Ų715%0.05237%0.369CS..Hα-helixtrans-66.3-35.2177.1-76.1166.5000112.8L312 F317 E321 V322 A325 A336 C337L312-L340 HydrophobicContact CD1-CD1 4.34Å; L312-L340 HydrophobicContact CD2-CD1 4.19Å; F317-L340 HydrophobicContact CB-CD1 4.17Å; F317-L340 HydrophobicContact CD1-CB 4.05Å; F317-L340 HydrophobicContact CD1-CD1 4.12Å; F317-L340 HydrophobicContact CD1-CD2 4.38Å; F317-L340 HydrophobicContact CD1-CG 4.41Å; F317-L340 HydrophobicContact CD2-CD1 3.86Å; F317-L340 HydrophobicContact CE1-CB 3.81Å; F317-L340 HydrophobicContact CE1-CD1 4.48Å; F317-L340 HydrophobicContact CE2-CD1 4.26Å; F317-L340 HydrophobicContact CG-CD1 3.8Å; F317-L340 HydrophobicContact CZ-CB 4.12Å; E321-L340 HydrophobicContact CB-CD2 3.67Å; V322-L340 HydrophobicContact CG2-CD1 4.19Å; A325-L340 HydrophobicContact CB-CD1 3.97Å; A325-L340 HydrophobicContact CB-CD2 3.95Å; A325-L340 HydrophobicContact CB-CG 3.63Å; A336-L340 WeakPolarHBondContact O-CB 3.22Å; A336-L340 VanDerWaalsContact O-CG 3.24Å; A336-L340 WeakPolarHBondContact O-CG 3.38Å; A336-L340 PolarHBondContact O-N 2.95Å; C337-L340 PolarHBondContact O-N 3.13Å
341L86.1Confident77.3Confident126 Ų12668.9 Ų68.966%0.6636%0.357SS*.Hα-helixtrans-85.6-17178.9-67.8172.9000113.6F317 C337 E338 W339F317-L341 HydrophobicContact CE1-CD2 4.14Å; F317-L341 HydrophobicContact CZ-CD2 3.81Å; F317-L341 HydrophobicContact CZ-CG 4.04Å; C337-L341 WeakPolarHBondContact O-CB 3.41Å; C337-L341 VanDerWaalsContact O-CG 3.31Å; C337-L341 WeakPolarHBondContact O-CG 3.27Å; C337-L341 PolarHBondContact O-N 3.25Å; E338-L341 PolarHBondContact O-N 2.93Å; W339-L341 VanDerWaalsContact C-N 3.35Å
342G81.1Confident76.7Confident40 Ų4070.7 Ų70.741%0.41237%0.367SS..THydrogen-bonded Turntrans-97.3-155.4-178.200000114.3E338 W339 R344E338-G342 PolarHBondContact O-N 3.03Å; W339-G342 PolarHBondContact O-N 3.31Å; G342-R344 PolarHBondContact O-N 3.47Å
343D74.8Confident76.5Confident127 Ų12771.2 Ų71.268%0.67937%0.368SS*.THydrogen-bonded Turntrans-78.76.9-177.4-68.4-26.4000114.1K345D343-K345 PolarHBondContact O-N 3.12Å
344R74.3Confident76.2Confident91 Ų9169.3 Ų69.334%0.34337%0.367SS..  trans53.336.9-178.9-58.2-180180-159.5-5.7114.1E321 W339 G342 P346E321-R344 VanDerWaalsContact CD-NH1 3.32Å; E321-R344 IonicContact OE1-CZ 2.67Å; E321-R344 IonicContact OE1-NH1 3Å; E321-R344 PolarHBondContact OE1-NH1 2.88Å; E321-R344 IonicContact OE1-NH2 3.79Å; E321-R344 PolarHBondContact OE1-NH2 2.97Å; E321-R344 IonicContact OE2-CZ 2.69Å; E321-R344 IonicContact OE2-NH1 2.88Å; E321-R344 IonicContact OE2-NH2 2.68Å; E321-R344 PolarHBondContact OE2-NH2 3.11Å; W339-R344 HydrophobicContact CD2-CB 4.36Å; W339-R344 HydrophobicContact CD2-CG 4.49Å; W339-R344 HydrophobicContact CE3-CG 4.27Å; W339-R344 HydrophobicContact CH2-CB 3.92Å; W339-R344 HydrophobicContact CH2-CG 4.14Å; W339-R344 HydrophobicContact CZ2-CB 3.67Å; W339-R344 HydrophobicContact CZ2-CG 4.33Å; W339-R344 WeakPolarHBondContact CZ2-O 3.38Å; W339-R344 HydrophobicContact CZ3-CB 4.34Å; W339-R344 HydrophobicContact CZ3-CG 4.11Å; W339-R344 VanDerWaalsContact NE1-C 3.33Å; G342-R344 PolarHBondContact O-N 3.47Å; R344-P346 CarbonylContact O-C 3.51Å
345K70.7Confident76.1Confident168 Ų16863.7 Ų63.773%0.7334%0.337SS*.  trans-111.3134.6175.7-70.4179.1-177.1173.90109.9D343D343-K345 PolarHBondContact O-N 3.12Å
346P68.3Low76Confident66 Ų6669.3 Ų69.343%0.42937%0.365SS..SBendcis-69.6153.20.1-1428.6000113.1W339 R344W339-P346 PolarHBondContact NE1-O 3.49Å; R344-P346 CarbonylContact O-C 3.51Å
347S67.1Low75.7Confident33 Ų3373.4 Ų73.423%0.23139%0.39CS..  trans-73.8147.5172.779.30000109.9E349 D350S347-E349 PolarHBondContact O-N 3.43Å; S347-D350 PolarHBondContact O-N 2.93Å; S347-D350 VanDerWaalsContact O-N 3.09Å; S347-D350 PolarHBondContact OG-N 2.98Å; S347-D350 PolarHBondContact OG-OD2 3.17Å
348P63.4Low75.5Confident24 Ų2479.7 Ų79.716%0.15642%0.422CS..G310 helixtrans-57.1-32.3175.8-22.432.2000112.5D324 V328 W339 D350 L351D324-P348 HydrophobicContact CB-CG 3.79Å; V328-P348 HydrophobicContact CG2-CB 4.32Å; V328-P348 HydrophobicContact CG2-CG 3.94Å; W339-P348 HydrophobicContact CH2-CG 4.47Å; W339-P348 HydrophobicContact CZ2-CG 4.39Å; P348-D350 VanDerWaalsContact C-N 3.34Å; P348-D350 PolarHBondContact O-N 2.87Å; P348-L351 WeakPolarHBondContact O-CB 3.35Å; P348-L351 PolarHBondContact O-N 3.06Å
349E66.1Low75.5Confident147 Ų14776.4 Ų76.469%0.68741%0.41SS*.G310 helixtrans-71.3-27.2179.1-60.9-176.9174.200113.2S347 L351S347-E349 PolarHBondContact O-N 3.43Å; E349-L351 VanDerWaalsContact C-N 3.27Å
350D66.6Low75.5Confident70 Ų7080 Ų8037%0.37444%0.436SS..G310 helixtrans-78.5-15.7176.2-63.6-38.6000112.4S347 P348 K353S347-D350 PolarHBondContact O-N 2.93Å; S347-D350 VanDerWaalsContact O-N 3.09Å; S347-D350 PolarHBondContact OG-N 2.98Å; S347-D350 PolarHBondContact OG-OD2 3.17Å; P348-D350 VanDerWaalsContact C-N 3.34Å; P348-D350 PolarHBondContact O-N 2.87Å; D350-K353 IonicContact OD1-NZ 3.11Å; D350-K353 PolarHBondContact OD1-NZ 2.78Å
351L64.5Low75.6Confident16 Ų1680.6 Ų80.68%0.08444%0.44CS..SBendtrans-80.4-18.6174.7-70.7174.2000113.2R153 V328 P348 E349R153-L351 PolarHBondContact NH1-O 3.4Å; V328-L351 HydrophobicContact CB-CD1 3.95Å; V328-L351 HydrophobicContact CG1-CD1 4.1Å; V328-L351 HydrophobicContact CG2-CD1 3.58Å; P348-L351 WeakPolarHBondContact O-CB 3.35Å; P348-L351 PolarHBondContact O-N 3.06Å; E349-L351 VanDerWaalsContact C-N 3.27Å
352D66.8Low75.7Confident92 Ų9275 Ų7549%0.49241%0.41SS..SBendtrans-95.6-6.1177.6-68.5-22.1000112.3R153R153-D352 IonicContact NH1-OD1 3.98Å; R153-D352 PolarHBondContact NH1-OD1 3.27Å
353K76.1Confident76.1Confident119 Ų11977.5 Ų77.552%0.51741%0.411SS..SBendtrans-87.1123.8172.3-68.6173.4-164.8153.90109.6D350D350-K353 IonicContact OD1-NZ 3.11Å; D350-K353 PolarHBondContact OD1-NZ 2.78Å
354G76.9Confident76.8Confident30 Ų3072.8 Ų72.831%0.30939%0.39SS..PPolyproline II helixtrans-62.5171.3171.300000113.3K154 S158K154-G354 WeakPolarHBondContact O-CA 3.49Å; S158-G354 WeakPolarHBondContact OG-CA 3.22Å
355I82.6Confident77.5Confident21 Ų2168.5 Ų68.511%0.10837%0.374CS..PPolyproline II helixtrans-67.4150.3166.520.8170.5000110.4K154 I155 S158 T357 L361 F362K154-I355 HydrophobicContact CB-CG2 4.35Å; K154-I355 PolarHBondContact O-N 3.05Å; I155-I355 HydrophobicContact CB-CD1 4.04Å; I155-I355 HydrophobicContact CG1-CD1 3.5Å; I155-I355 VanDerWaalsContact CG1-CD1 3.5Å; I155-I355 HydrophobicContact CG1-CG1 4.27Å; I155-I355 HydrophobicContact CG2-CD1 4.39Å; S158-I355 VanDerWaalsContact OG-CG1 3.3Å; S158-I355 WeakPolarHBondContact OG-CG1 3.25Å; S158-I355 PolarHBondContact OG-N 3.37Å; I355-T357 PolarHBondContact O-N 3.22Å; I355-L361 HydrophobicContact CD1-CD2 4.48Å; I355-F362 HydrophobicContact CD1-CB 4.17Å; I355-F362 HydrophobicContact CD1-CD2 3.83Å; I355-F362 HydrophobicContact CD1-CG 4.48Å; I355-F362 HydrophobicContact CG1-CD2 4.22Å
356D81.1Confident78.4Confident130 Ų13062.1 Ų62.170%0.69535%0.348SS*.PPolyproline II helixtrans-56.1126.9174.7-84.8-35.2000111N358 S359D356-N358 PolarHBondContact O-N 3.29Å; D356-N358 VanDerWaalsContact O-N 3.15Å; D356-S359 WeakPolarHBondContact O-CB 3.37Å; D356-S359 PolarHBondContact O-N 3.36Å
357T79.9Confident79.5Confident85 Ų8565 Ų6552%0.52136%0.355SS..THydrogen-bonded Turntrans-64-20.1-179.650.60000113.5I355 F362I355-T357 PolarHBondContact O-N 3.22Å; T357-F362 HydrophobicContact CG2-CE1 4.04Å; T357-F362 HydrophobicContact CG2-CZ 4.44Å; T357-F362 WeakPolarHBondContact O-CD1 3.48Å
358N81.6Confident80.8Confident154 Ų15464.9 Ų64.982%0.82435%0.352SS*.THydrogen-bonded Turntrans-93.32.6174.7-60.3-54.8000112.9D356D356-N358 PolarHBondContact O-N 3.29Å; D356-N358 VanDerWaalsContact O-N 3.15Å
359S86.4Confident82.1Confident33 Ų3368 Ų6823%0.23137%0.373CS..  trans-66.6136.6179.4179.10000110.8D356 L361 F362 Q363D356-S359 WeakPolarHBondContact O-CB 3.37Å; D356-S359 PolarHBondContact O-N 3.36Å; S359-L361 PolarHBondContact O-N 3.21Å; S359-L361 VanDerWaalsContact O-N 3.13Å; S359-L361 PolarHBondContact OG-N 3.12Å; S359-F362 PolarHBondContact O-N 2.84Å; S359-Q363 PolarHBondContact O-N 3.23Å
360P85.8Confident83.3Confident97 Ų9763.8 Ų63.863%0.6336%0.356SS*.Hα-helixtrans-53.8-32.3173.3-25.433.7000113A364P360-A364 VanDerWaalsContact O-CB 3.23Å; P360-A364 WeakPolarHBondContact O-CB 3.38Å; P360-A364 PolarHBondContact O-N 3.39Å
361L87.2Confident84.6Confident23 Ų2360.4 Ų60.412%0.1234%0.339CS..Hα-helixtrans-64.7-50.4174.8175.964.9000111.9I155 I355 S359 Q363 A364 I365 I413 F414 L417I155-L361 HydrophobicContact CD1-CD2 4.35Å; I355-L361 HydrophobicContact CD1-CD2 4.48Å; S359-L361 PolarHBondContact O-N 3.21Å; S359-L361 VanDerWaalsContact O-N 3.13Å; S359-L361 PolarHBondContact OG-N 3.12Å; L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 3.41Å; L361-A364 PolarHBondContact O-N 3.48Å; L361-I365 HydrophobicContact CD1-CD1 3.95Å; L361-I365 HydrophobicContact CD1-CG1 4.39Å; L361-I365 HydrophobicContact CG-CD1 3.98Å; L361-I365 VanDerWaalsContact O-CG1 3.23Å; L361-I365 WeakPolarHBondContact O-CG1 3.39Å; L361-I365 PolarHBondContact O-N 3.17Å; L361-I413 HydrophobicContact CD1-CG2 4.28Å; L361-F414 HydrophobicContact CD1-CB 4.25Å; L361-F414 HydrophobicContact CD1-CD2 4.17Å; L361-F414 HydrophobicContact CD2-CD2 3.77Å; L361-F414 HydrophobicContact CD2-CE2 4.2Å; L361-L417 HydrophobicContact CB-CD1 4.3Å; L361-L417 HydrophobicContact CD1-CD1 3.88Å
362F88.1Confident85.8Confident9 Ų964.5 Ų64.54%0.03936%0.357CS..Hα-helixtrans-63.9-42.7-179.1-173.9-106.5000111.3S158 L159 V162 I355 T357 S359 I365 L366S158-F362 VanDerWaalsContact CB-CE2 3.46Å; L159-F362 HydrophobicContact CD2-CE2 4.33Å; V162-F362 HydrophobicContact CG2-CZ 3.76Å; I355-F362 HydrophobicContact CD1-CB 4.17Å; I355-F362 HydrophobicContact CD1-CD2 3.83Å; I355-F362 HydrophobicContact CD1-CG 4.48Å; I355-F362 HydrophobicContact CG1-CD2 4.22Å; T357-F362 HydrophobicContact CG2-CE1 4.04Å; T357-F362 HydrophobicContact CG2-CZ 4.44Å; T357-F362 WeakPolarHBondContact O-CD1 3.48Å; S359-F362 PolarHBondContact O-N 2.84Å; F362-I365 PolarHBondContact O-N 3.24Å; F362-L366 HydrophobicContact CD1-CD1 3.9Å; F362-L366 HydrophobicContact CD1-CG 4.46Å; F362-L366 HydrophobicContact CE1-CD1 3.32Å; F362-L366 HydrophobicContact CE1-CG 4.15Å; F362-L366 HydrophobicContact CE2-CD1 4.43Å; F362-L366 HydrophobicContact CZ-CD1 3.65Å; F362-L366 HydrophobicContact CZ-CG 4.21Å; F362-L366 PolarHBondContact O-N 3Å
363Q89.6Confident86.9Confident92 Ų9266.2 Ų66.243%0.4337%0.366SS..Hα-helixtrans-62.3-46177-173.363.71700111.8S359 L361 I365 L366 E367S359-Q363 PolarHBondContact O-N 3.23Å; L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 3.41Å; Q363-I365 VanDerWaalsContact C-N 3.3Å; Q363-I365 PolarHBondContact O-N 3.09Å; Q363-L366 PolarHBondContact O-N 3.45Å; Q363-E367 HydrophobicContact CG-CG 4.48Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.23Å; Q363-E367 PolarHBondContact NE2-OE1 2.95Å; Q363-E367 WeakPolarHBondContact O-CB 3.34Å; Q363-E367 VanDerWaalsContact O-CG 3.31Å; Q363-E367 WeakPolarHBondContact O-CG 3.27Å; Q363-E367 PolarHBondContact O-N 2.93Å
364A89Confident87.5Confident29 Ų2960.9 Ų60.924%0.2434%0.344CS..Hα-helixtrans-64-34.2177.900000112.9P360 L361 I413 L417P360-A364 VanDerWaalsContact O-CB 3.23Å; P360-A364 WeakPolarHBondContact O-CB 3.38Å; P360-A364 PolarHBondContact O-N 3.39Å; L361-A364 PolarHBondContact O-N 3.48Å; A364-I413 HydrophobicContact CB-CG2 3.77Å; A364-L417 HydrophobicContact CB-CD1 3.74Å
365I90.8Very high88.1Confident0 Ų059.6 Ų59.60%033%0.33CS..Hα-helixtrans-65.7-46.9173.9-68.7166.3000110.2I155 L159 L361 F362 Q363 E367 N368 V371 I410 I413I155-I365 HydrophobicContact CG2-CD1 3.97Å; L159-I365 HydrophobicContact CD1-CG2 4.19Å; L159-I365 HydrophobicContact CD2-CG2 3.84Å; L361-I365 HydrophobicContact CD1-CD1 3.95Å; L361-I365 HydrophobicContact CD1-CG1 4.39Å; L361-I365 HydrophobicContact CG-CD1 3.98Å; L361-I365 VanDerWaalsContact O-CG1 3.23Å; L361-I365 WeakPolarHBondContact O-CG1 3.39Å; L361-I365 PolarHBondContact O-N 3.17Å; F362-I365 PolarHBondContact O-N 3.24Å; Q363-I365 VanDerWaalsContact C-N 3.3Å; Q363-I365 PolarHBondContact O-N 3.09Å; I365-E367 VanDerWaalsContact C-N 3.34Å; I365-E367 PolarHBondContact O-N 3.45Å; I365-N368 WeakPolarHBondContact O-CB 3.48Å; I365-N368 PolarHBondContact O-N 3Å; I365-V371 HydrophobicContact CG2-CG1 3.84Å; I365-I410 HydrophobicContact CD1-CG2 4.3Å; I365-I410 HydrophobicContact CG2-CG1 4.15Å; I365-I413 HydrophobicContact CG1-CB 4.33Å; I365-I413 HydrophobicContact CG1-CD1 4.42Å; I365-I413 HydrophobicContact CG1-CG2 3.88Å
366L89.6Confident88.4Confident35 Ų3561.3 Ų61.318%0.18334%0.342CS..Hα-helixtrans-71.3-25.4179.9-72.2-174.8000113.8L159 V162 F362 Q363 N368 Q372 L375L159-L366 HydrophobicContact CD2-CD2 4.13Å; V162-L366 HydrophobicContact CG1-CD2 4.04Å; F362-L366 HydrophobicContact CD1-CD1 3.9Å; F362-L366 HydrophobicContact CD1-CG 4.46Å; F362-L366 HydrophobicContact CE1-CD1 3.32Å; F362-L366 HydrophobicContact CE1-CG 4.15Å; F362-L366 HydrophobicContact CE2-CD1 4.43Å; F362-L366 HydrophobicContact CZ-CD1 3.65Å; F362-L366 HydrophobicContact CZ-CG 4.21Å; F362-L366 PolarHBondContact O-N 3Å; Q363-L366 PolarHBondContact O-N 3.45Å; L366-N368 PolarHBondContact O-N 3.27Å; L366-Q372 VanDerWaalsContact O-CD 3.27Å; L366-Q372 WeakPolarHBondContact O-CG 3.28Å; L366-Q372 PolarHBondContact O-NE2 3.42Å; L366-L375 HydrophobicContact CD2-CD1 3.84Å
367E91.1Very high88.7Confident127 Ų12757.1 Ų57.159%0.59332%0.319SS*.THydrogen-bonded Turntrans-73.6-13.2174.5-76.1174.9-174.700112.8Q363 I365Q363-E367 HydrophobicContact CG-CG 4.48Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.23Å; Q363-E367 PolarHBondContact NE2-OE1 2.95Å; Q363-E367 WeakPolarHBondContact O-CB 3.34Å; Q363-E367 VanDerWaalsContact O-CG 3.31Å; Q363-E367 WeakPolarHBondContact O-CG 3.27Å; Q363-E367 PolarHBondContact O-N 2.93Å; I365-E367 VanDerWaalsContact C-N 3.34Å; I365-E367 PolarHBondContact O-N 3.45Å
368N93.1Very high89Confident29 Ų2953.6 Ų53.616%0.15530%0.298CS..  trans-78.8122.1-179.4-169.3-69.1000111.6I365 L366 V370 V371 Q372 I413I365-N368 WeakPolarHBondContact O-CB 3.48Å; I365-N368 PolarHBondContact O-N 3Å; L366-N368 PolarHBondContact O-N 3.27Å; N368-V370 VanDerWaalsContact C-N 3.31Å; N368-V370 PolarHBondContact O-N 3.28Å; N368-V370 VanDerWaalsContact OD1-CB 3.31Å; N368-V370 WeakPolarHBondContact OD1-CB 3.42Å; N368-V370 PolarHBondContact OD1-N 2.89Å; N368-V371 HydrophobicContact CB-CB 4.17Å; N368-V371 HydrophobicContact CB-CG2 3.91Å; N368-V371 PolarHBondContact O-N 2.94Å; N368-V371 VanDerWaalsContact O-N 3.17Å; N368-V371 PolarHBondContact OD1-N 2.81Å; N368-Q372 WeakPolarHBondContact O-CG 3.38Å; N368-Q372 PolarHBondContact O-N 2.95Å; N368-I413 HydrophobicContact CB-CD1 3.89Å
369P91.9Very high89.1Confident91 Ų9147.8 Ų47.859%0.59127%0.265SS*.Hα-helixtrans-67.1-29.6-175.626.1-34.8000113.5V371 L373P369-V371 VanDerWaalsContact C-N 3.35Å; P369-L373 WeakPolarHBondContact O-CB 3.07Å; P369-L373 PolarHBondContact O-N 3.2Å
370V91.6Very high89.2Confident57 Ų5746.2 Ų46.235%0.34526%0.255SS..Hα-helixtrans-68-41176.6-178.90000109.8N368 G374 P405 Q409N368-V370 VanDerWaalsContact C-N 3.31Å; N368-V370 PolarHBondContact O-N 3.28Å; N368-V370 VanDerWaalsContact OD1-CB 3.31Å; N368-V370 WeakPolarHBondContact OD1-CB 3.42Å; N368-V370 PolarHBondContact OD1-N 2.89Å; V370-G374 PolarHBondContact O-N 2.99Å; V370-P405 HydrophobicContact CG1-CB 4.44Å; V370-Q409 HydrophobicContact CB-CG 4.23Å; V370-Q409 HydrophobicContact CG1-CG 4.19Å
371V92.3Very high89.3Confident0 Ų041.7 Ų41.70%023%0.225CC..Hα-helixtrans-68.3-45.9177.1-178.50000110.7I365 N368 P369 L373 G374 L375 V406 Q409 I410I365-V371 HydrophobicContact CG2-CG1 3.84Å; N368-V371 HydrophobicContact CB-CB 4.17Å; N368-V371 HydrophobicContact CB-CG2 3.91Å; N368-V371 PolarHBondContact O-N 2.94Å; N368-V371 VanDerWaalsContact O-N 3.17Å; N368-V371 PolarHBondContact OD1-N 2.81Å; P369-V371 VanDerWaalsContact C-N 3.35Å; V371-L373 VanDerWaalsContact C-N 3.33Å; V371-L373 PolarHBondContact O-N 3.24Å; V371-G374 WeakPolarHBondContact O-CA 3.34Å; V371-G374 PolarHBondContact O-N 3.4Å; V371-G374 VanDerWaalsContact O-N 3.1Å; V371-L375 HydrophobicContact CG1-CD1 4.17Å; V371-L375 HydrophobicContact CG1-CG 4.28Å; V371-L375 WeakPolarHBondContact O-CG 3.47Å; V371-L375 PolarHBondContact O-N 3.47Å; V371-V406 HydrophobicContact CB-CG1 4.49Å; V371-V406 HydrophobicContact CG1-CG1 4.31Å; V371-V406 HydrophobicContact CG2-CG1 4.35Å; V371-Q409 HydrophobicContact CG2-CB 4.15Å; V371-I410 HydrophobicContact CG1-CG1 4.44Å; V371-I410 HydrophobicContact CG2-CG1 4.02Å
372Q90.9Very high89.1Confident102 Ų10240.7 Ų40.748%0.47722%0.22SC..Hα-helixtrans-56.4-46.2176.5-72-176.4-1400112.5L366 N368 G374 L375 T376L366-Q372 VanDerWaalsContact O-CD 3.27Å; L366-Q372 WeakPolarHBondContact O-CG 3.28Å; L366-Q372 PolarHBondContact O-NE2 3.42Å; N368-Q372 WeakPolarHBondContact O-CG 3.38Å; N368-Q372 PolarHBondContact O-N 2.95Å; Q372-G374 VanDerWaalsContact C-N 3.32Å; Q372-G374 PolarHBondContact O-N 3.34Å; Q372-L375 PolarHBondContact O-N 3.19Å; Q372-T376 PolarHBondContact O-N 3.35Å
373L89.7Confident89Confident128 Ų12840.3 Ų40.367%0.6722%0.218SC*.Hα-helixtrans-63.9-40.9177.2-17363.9000111.1P369 V371 L375 T376P369-L373 WeakPolarHBondContact O-CB 3.07Å; P369-L373 PolarHBondContact O-N 3.2Å; V371-L373 VanDerWaalsContact C-N 3.33Å; V371-L373 PolarHBondContact O-N 3.24Å; L373-L375 PolarHBondContact O-N 2.87Å; L373-T376 PolarHBondContact O-N 2.89Å; L373-T376 PolarHBondContact O-OG1 3.49Å
374G88Confident88.9Confident7 Ų735.9 Ų35.97%0.07220%0.198CC..Hα-helixtrans-57.6-44.8173.700000113.4V370 V371 Q372 T376 N377 T380V370-G374 PolarHBondContact O-N 2.99Å; V371-G374 WeakPolarHBondContact O-CA 3.34Å; V371-G374 PolarHBondContact O-N 3.4Å; V371-G374 VanDerWaalsContact O-N 3.1Å; Q372-G374 VanDerWaalsContact C-N 3.32Å; Q372-G374 PolarHBondContact O-N 3.34Å; G374-T376 PolarHBondContact O-N 3.29Å; G374-T376 VanDerWaalsContact O-N 3.13Å; G374-N377 WeakPolarHBondContact O-CB 3.47Å; G374-N377 PolarHBondContact O-N 2.94Å; G374-T380 WeakPolarHBondContact O-CB 3.37Å; G374-T380 PolarHBondContact O-OG1 3.3Å
375L89.6Confident88.6Confident2 Ų235 Ų351%0.0119%0.189CC..Hα-helixtrans-65-17.4-179.9-64.3171.8000113.6L159 V162 A163 L166 L366 V371 Q372 L373 F384L159-L375 HydrophobicContact CB-CD2 4.04Å; L159-L375 HydrophobicContact CD2-CD1 4.25Å; L159-L375 HydrophobicContact CD2-CD2 4.33Å; V162-L375 HydrophobicContact CG1-CD1 4.1Å; A163-L375 HydrophobicContact CB-CB 4.23Å; A163-L375 HydrophobicContact CB-CD2 3.87Å; L166-L375 HydrophobicContact CD1-CB 3.95Å; L166-L375 HydrophobicContact CD1-CD1 4.45Å; L366-L375 HydrophobicContact CD2-CD1 3.84Å; V371-L375 HydrophobicContact CG1-CD1 4.17Å; V371-L375 HydrophobicContact CG1-CG 4.28Å; V371-L375 WeakPolarHBondContact O-CG 3.47Å; V371-L375 PolarHBondContact O-N 3.47Å; Q372-L375 PolarHBondContact O-N 3.19Å; L373-L375 PolarHBondContact O-N 2.87Å; L375-F384 HydrophobicContact CD2-CD2 4.44Å; L375-F384 HydrophobicContact CD2-CE2 3.76Å
376T88.6Confident88Confident57 Ų5735.6 Ų35.635%0.3519%0.192SC..THydrogen-bonded Turntrans-85.2-8.4173.464.80000113.7L167 Q372 L373 G374L167-T376 VanDerWaalsContact CD2-O 3.27Å; L167-T376 WeakPolarHBondContact CD2-O 3.43Å; Q372-T376 PolarHBondContact O-N 3.35Å; L373-T376 PolarHBondContact O-N 2.89Å; L373-T376 PolarHBondContact O-OG1 3.49Å; G374-T376 PolarHBondContact O-N 3.29Å; G374-T376 VanDerWaalsContact O-N 3.13Å
377N88Confident87.6Confident42 Ų4234.2 Ų34.223%0.22518%0.184CC..  trans-92.5123.6177.6-171.6-23.6000110.2G374 K379 T380 L381G374-N377 WeakPolarHBondContact O-CB 3.47Å; G374-N377 PolarHBondContact O-N 2.94Å; N377-K379 PolarHBondContact O-N 2.79Å; N377-K379 WeakPolarHBondContact OD1-CB 3.29Å; N377-K379 PolarHBondContact OD1-N 3.18Å; N377-T380 PolarHBondContact O-N 2.93Å; N377-L381 PolarHBondContact O-N 3.06Å
378P85.3Confident86.9Confident11 Ų1129.3 Ų29.37%0.07116%0.162CC..Hα-helixtrans-59.3-32.1176.929.4-41.4000113L176 F177 A180 L381 L382L176-P378 HydrophobicContact CB-CG 4.05Å; F177-P378 HydrophobicContact CD1-CB 4.02Å; F177-P378 HydrophobicContact CE1-CB 3.87Å; F177-P378 HydrophobicContact CG-CB 4.44Å; F177-P378 HydrophobicContact CZ-CB 4.15Å; A180-P378 HydrophobicContact CB-CB 3.96Å; A180-P378 HydrophobicContact CB-CG 3.93Å; P378-L381 WeakPolarHBondContact O-CB 3.32Å; P378-L381 PolarHBondContact O-N 3.36Å; P378-L382 WeakPolarHBondContact O-CG 3.45Å; P378-L382 PolarHBondContact O-N 2.88Å
379K85.2Confident85.9Confident32 Ų3230.1 Ų30.114%0.13917%0.165CC..Hα-helixtrans-64.9-40.9179.3-171.5-174.8176.4-174.90111.4L184 N377 L381 L382 A383 W397 D400 E402L184-K379 HydrophobicContact CD2-CG 4.38Å; N377-K379 PolarHBondContact O-N 2.79Å; N377-K379 WeakPolarHBondContact OD1-CB 3.29Å; N377-K379 PolarHBondContact OD1-N 3.18Å; K379-L381 VanDerWaalsContact C-N 3.31Å; K379-L381 PolarHBondContact O-N 3.35Å; K379-L382 PolarHBondContact O-N 3.08Å; K379-A383 WeakPolarHBondContact O-CB 3.35Å; K379-A383 PolarHBondContact O-N 3.26Å; K379-W397 HydrophobicContact CG-CZ3 4.48Å; K379-D400 WeakPolarHBondContact CE-OD1 3.48Å; K379-D400 IonicContact NZ-OD1 3.02Å; K379-D400 PolarHBondContact NZ-OD1 3.45Å; K379-D400 IonicContact NZ-OD2 2.81Å; K379-E402 WeakPolarHBondContact CD-OE2 3.29Å; K379-E402 IonicContact NZ-OE2 2.72Å; K379-E402 PolarHBondContact NZ-OE2 3.21Å
380T88.8Confident84.9Confident1 Ų128.5 Ų28.51%0.00615%0.151CC..Hα-helixtrans-64.9-35.9176.5-56.20000111.7G374 N377 A383 F384 T403 V406G374-T380 WeakPolarHBondContact O-CB 3.37Å; G374-T380 PolarHBondContact O-OG1 3.3Å; N377-T380 PolarHBondContact O-N 2.93Å; T380-A383 PolarHBondContact O-N 3.21Å; T380-F384 HydrophobicContact CG2-CD1 4.41Å; T380-F384 HydrophobicContact CG2-CD2 4.43Å; T380-F384 HydrophobicContact CG2-CE1 3.87Å; T380-F384 HydrophobicContact CG2-CE2 3.9Å; T380-F384 HydrophobicContact CG2-CZ 3.59Å; T380-F384 WeakPolarHBondContact O-CD1 3.15Å; T380-F384 VanDerWaalsContact O-CG 3.24Å; T380-F384 WeakPolarHBondContact O-CG 3.46Å; T380-F384 PolarHBondContact O-N 2.96Å; T380-T403 HydrophobicContact CG2-CG2 4.4Å; T380-V406 HydrophobicContact CG2-CG1 4.36Å; T380-V406 HydrophobicContact CG2-CG2 4.5Å
381L87.3Confident83.8Confident2 Ų227 Ų271%0.0114%0.143CC..Hα-helixtrans-64.5-47.2173.5-179.559.3000111.8I160 A163 Q164 L167 F177 F293 N377 P378 K379 A383 F384 E385I160-L381 HydrophobicContact CB-CD1 4Å; I160-L381 HydrophobicContact CG1-CD1 3.87Å; I160-L381 HydrophobicContact CG2-CD1 3.82Å; A163-L381 HydrophobicContact CB-CB 4.45Å; A163-L381 HydrophobicContact CB-CD1 3.7Å; A163-L381 HydrophobicContact CB-CG 4.45Å; Q164-L381 HydrophobicContact CG-CD1 4.37Å; Q164-L381 HydrophobicContact CG-CD2 3.85Å; L167-L381 HydrophobicContact CD1-CB 4.09Å; L167-L381 HydrophobicContact CD1-CD2 3.78Å; F177-L381 HydrophobicContact CE1-CD2 3.84Å; F177-L381 HydrophobicContact CZ-CD2 3.65Å; F293-L381 HydrophobicContact CD1-CD2 4.2Å; F293-L381 HydrophobicContact CE1-CD2 3.48Å; F293-L381 VanDerWaalsContact CE1-CD2 3.48Å; F293-L381 HydrophobicContact CZ-CD2 4.21Å; N377-L381 PolarHBondContact O-N 3.06Å; P378-L381 WeakPolarHBondContact O-CB 3.32Å; P378-L381 PolarHBondContact O-N 3.36Å; K379-L381 VanDerWaalsContact C-N 3.31Å; K379-L381 PolarHBondContact O-N 3.35Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 3.34Å; L381-F384 PolarHBondContact O-N 2.9Å; L381-E385 PolarHBondContact O-N 2.66Å
382L83.7Confident82.6Confident2 Ų233.3 Ų33.31%0.0118%0.176CC..Hα-helixtrans-61.5-39.8177.3-66.7171.2000111.5A180 N181 L184 I296 P378 K379 E385 D386A180-L382 HydrophobicContact CB-CD1 3.66Å; N181-L382 VanDerWaalsContact OD1-CD1 3.23Å; N181-L382 WeakPolarHBondContact OD1-CD1 3.49Å; N181-L382 VanDerWaalsContact OD1-CD2 3.28Å; N181-L382 WeakPolarHBondContact OD1-CD2 3.29Å; L184-L382 HydrophobicContact CD1-CB 3.51Å; L184-L382 HydrophobicContact CD1-CD1 3.61Å; L184-L382 HydrophobicContact CD1-CG 4.16Å; L184-L382 HydrophobicContact CG-CD1 4.46Å; I296-L382 HydrophobicContact CD1-CD2 3.86Å; I296-L382 HydrophobicContact CG1-CD2 4.44Å; I296-L382 HydrophobicContact CG2-CD2 3.82Å; P378-L382 WeakPolarHBondContact O-CG 3.45Å; P378-L382 PolarHBondContact O-N 2.88Å; K379-L382 PolarHBondContact O-N 3.08Å; L382-E385 PolarHBondContact O-N 3.42Å; L382-D386 WeakPolarHBondContact O-CB 3.27Å; L382-D386 PolarHBondContact O-N 2.96Å
383A85.8Confident81.7Confident0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-62.2-42.8174.200000112.4K379 T380 L381 E385 D386 M387 W397 T403K379-A383 WeakPolarHBondContact O-CB 3.35Å; K379-A383 PolarHBondContact O-N 3.26Å; T380-A383 PolarHBondContact O-N 3.21Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 3.34Å; A383-E385 VanDerWaalsContact C-N 3.34Å; A383-D386 PolarHBondContact O-N 3.22Å; A383-M387 WeakPolarHBondContact O-CB 3.36Å; A383-M387 WeakPolarHBondContact O-CG 3.41Å; A383-M387 PolarHBondContact O-N 2.9Å; A383-W397 HydrophobicContact CB-CD2 3.43Å; A383-W397 VanDerWaalsContact CB-CD2 3.43Å; A383-W397 HydrophobicContact CB-CE3 3.32Å; A383-W397 HydrophobicContact CB-CG 4.03Å; A383-W397 HydrophobicContact CB-CH2 3.84Å; A383-W397 HydrophobicContact CB-CZ2 4Å; A383-W397 HydrophobicContact CB-CZ3 3.53Å; A383-T403 HydrophobicContact CB-CG2 3.52Å
384F87.6Confident80.9Confident0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-65.1-38.5176.3-69.9-8000112.3L156 L159 I160 L375 T380 L381 L388 T403 V406 M407 I410L156-F384 HydrophobicContact CD2-CB 3.91Å; L156-F384 HydrophobicContact CD2-CD1 3.54Å; L156-F384 HydrophobicContact CD2-CD2 4.23Å; L156-F384 HydrophobicContact CD2-CE1 4.06Å; L156-F384 HydrophobicContact CD2-CG 3.64Å; L159-F384 HydrophobicContact CB-CD2 4.24Å; L159-F384 HydrophobicContact CB-CE2 4.11Å; L159-F384 HydrophobicContact CD1-CE2 4.13Å; L159-F384 HydrophobicContact CD1-CZ 4.5Å; I160-F384 HydrophobicContact CD1-CB 3.95Å; I160-F384 HydrophobicContact CG1-CB 3.7Å; I160-F384 HydrophobicContact CG1-CD2 4.5Å; L375-F384 HydrophobicContact CD2-CD2 4.44Å; L375-F384 HydrophobicContact CD2-CE2 3.76Å; T380-F384 HydrophobicContact CG2-CD1 4.41Å; T380-F384 HydrophobicContact CG2-CD2 4.43Å; T380-F384 HydrophobicContact CG2-CE1 3.87Å; T380-F384 HydrophobicContact CG2-CE2 3.9Å; T380-F384 HydrophobicContact CG2-CZ 3.59Å; T380-F384 WeakPolarHBondContact O-CD1 3.15Å; T380-F384 VanDerWaalsContact O-CG 3.24Å; T380-F384 WeakPolarHBondContact O-CG 3.46Å; T380-F384 PolarHBondContact O-N 2.96Å; L381-F384 PolarHBondContact O-N 2.9Å; F384-L388 WeakPolarHBondContact O-CG 3.42Å; F384-L388 PolarHBondContact O-N 3.45Å; F384-T403 HydrophobicContact CE1-CG2 4.46Å; F384-V406 HydrophobicContact CZ-CG1 3.79Å; F384-M407 HydrophobicContact CD1-SD 4.14Å; F384-M407 HydrophobicContact CE1-CG 4.17Å; F384-M407 HydrophobicContact CE1-SD 3.58Å; F384-M407 VanDerWaalsContact CE1-SD 3.58Å; F384-M407 HydrophobicContact CZ-SD 4.47Å; F384-I410 HydrophobicContact CE1-CD1 4.49Å; F384-I410 HydrophobicContact CZ-CD1 3.91Å
385E81.8Confident80.4Confident11 Ų1128.4 Ų28.45%0.05116%0.156CC..Hα-helixtrans-64.3-44.9173.4-72.2-170-179.200111.2I160 Q164 I296 L381 L382 A383 M387 L388 E389I160-E385 HydrophobicContact CD1-CG 3.94Å; I160-E385 HydrophobicContact CG1-CG 4.31Å; I160-E385 HydrophobicContact CG2-CG 4.25Å; Q164-E385 PolarHBondContact NE2-OE1 3.37Å; I296-E385 WeakPolarHBondContact CG2-OE2 3.16Å; L381-E385 PolarHBondContact O-N 2.66Å; L382-E385 PolarHBondContact O-N 3.42Å; A383-E385 VanDerWaalsContact C-N 3.34Å; E385-M387 PolarHBondContact O-N 2.94Å; E385-L388 WeakPolarHBondContact O-CB 3.47Å; E385-L388 PolarHBondContact O-N 3.48Å; E385-E389 WeakPolarHBondContact O-CG 3.24Å; E385-E389 PolarHBondContact O-N 2.99Å
386D78.9Confident80Confident12 Ų1232.2 Ų32.26%0.06417%0.173CC..Hα-helixtrans-62.3-42.6176.8-171.365.6000112.5R300 L382 A383 L388 E389 N390 N393 W397R300-D386 IonicContact NH1-OD1 3.13Å; R300-D386 PolarHBondContact NH1-OD1 3.17Å; L382-D386 WeakPolarHBondContact O-CB 3.27Å; L382-D386 PolarHBondContact O-N 2.96Å; A383-D386 PolarHBondContact O-N 3.22Å; D386-L388 VanDerWaalsContact C-N 3.31Å; D386-L388 PolarHBondContact O-N 3.46Å; D386-E389 PolarHBondContact O-N 3.45Å; D386-N390 PolarHBondContact O-N 3.45Å; D386-N393 PolarHBondContact OD1-ND2 3.31Å; D386-N393 VanDerWaalsContact OD2-CB 3.22Å; D386-N393 WeakPolarHBondContact OD2-CB 3.46Å; D386-N393 PolarHBondContact OD2-ND2 3.45Å; D386-W397 HydrophobicContact CB-CZ2 4.3Å; D386-W397 PolarHBondContact OD2-NE1 3.27Å
387M80.6Confident79.8Confident5 Ų530.2 Ų30.23%0.02516%0.16CC..Hα-helixtrans-66.7-28.8176.8-72.4179.659.100113.6L152 L156 A383 E385 E389 S394 W397 M407L152-M387 HydrophobicContact CD2-CE 4.17Å; L156-M387 HydrophobicContact CD1-CB 3.82Å; L156-M387 HydrophobicContact CD1-CE 4.38Å; A383-M387 WeakPolarHBondContact O-CB 3.36Å; A383-M387 WeakPolarHBondContact O-CG 3.41Å; A383-M387 PolarHBondContact O-N 2.9Å; E385-M387 PolarHBondContact O-N 2.94Å; M387-E389 VanDerWaalsContact C-N 3.34Å; M387-S394 WeakPolarHBondContact CE-OG 3.2Å; M387-W397 HydrophobicContact CG-CB 4.17Å; M387-W397 HydrophobicContact CG-CG 4.04Å; M387-W397 HydrophobicContact SD-CB 3.63Å; M387-W397 HydrophobicContact SD-CG 4.09Å; M387-M407 HydrophobicContact CE-CE 3.27Å; M387-M407 HydrophobicContact CE-CG 4.33Å; M387-M407 HydrophobicContact CE-SD 3.69Å; M387-M407 HydrophobicContact SD-CE 4.3Å; M387-M407 HydrophobicContact SD-CG 4.21Å; M387-M407 HydrophobicContact SD-SD 3.97Å
388L76.3Confident79.6Confident25 Ų2531.7 Ų31.713%0.13117%0.166CC..Hα-helixtrans-69.2-34.3173.6-87.4-172.3000112.5R153 L156 V157 I160 F384 E385 D386R153-L388 HydrophobicContact CB-CD2 4.26Å; R153-L388 HydrophobicContact CG-CD2 3.46Å; R153-L388 VanDerWaalsContact CG-CD2 3.46Å; R153-L388 PolarHBondContact NH2-O 2.86Å; R153-L388 WeakPolarHBondContact O-CD2 3.45Å; L156-L388 HydrophobicContact CB-CD1 4.38Å; L156-L388 HydrophobicContact CB-CD2 3.61Å; L156-L388 HydrophobicContact CB-CG 3.75Å; L156-L388 HydrophobicContact CD1-CD2 4.13Å; L156-L388 HydrophobicContact CD1-CG 4.22Å; V157-L388 HydrophobicContact CG2-CD1 3.85Å; V157-L388 HydrophobicContact CG2-CD2 3.94Å; I160-L388 HydrophobicContact CD1-CD1 3.19Å; I160-L388 HydrophobicContact CD1-CG 3.91Å; F384-L388 WeakPolarHBondContact O-CG 3.42Å; F384-L388 PolarHBondContact O-N 3.45Å; E385-L388 WeakPolarHBondContact O-CB 3.47Å; E385-L388 PolarHBondContact O-N 3.48Å; D386-L388 VanDerWaalsContact C-N 3.31Å; D386-L388 PolarHBondContact O-N 3.46Å
389E72.8Confident79.6Confident45 Ų4537.4 Ų37.421%0.2120%0.196CC..Hα-helixtrans-85.5-42.5-176.5-70.1167.7165.700111.3R300 E385 D386 M387R300-E389 WeakPolarHBondContact CB-OE1 3.48Å; R300-E389 WeakPolarHBondContact CB-OE2 3.25Å; R300-E389 WeakPolarHBondContact CD-OE2 3.3Å; E385-E389 WeakPolarHBondContact O-CG 3.24Å; E385-E389 PolarHBondContact O-N 2.99Å; D386-E389 PolarHBondContact O-N 3.45Å; M387-E389 VanDerWaalsContact C-N 3.34Å
390N70.6Confident79.6Confident57 Ų5737.1 Ų37.131%0.30520%0.196SC..  trans-130.394.7177.4-169.80.4000112D386 L392 N393D386-N390 PolarHBondContact O-N 3.45Å; N390-L392 PolarHBondContact O-N 3.48Å; N390-L392 VanDerWaalsContact OD1-CB 3.26Å; N390-L392 WeakPolarHBondContact OD1-CB 3.44Å; N390-L392 PolarHBondContact OD1-N 3.36Å; N390-L392 VanDerWaalsContact OD1-N 3.14Å; N390-N393 PolarHBondContact ND2-OD1 2.84Å; N390-N393 WeakPolarHBondContact O-CB 3.35Å; N390-N393 PolarHBondContact O-N 3.38Å
391P69Low79.4Confident26 Ų2642.3 Ų42.317%0.16923%0.229CC..G310 helixtrans-61.6-15.2177.6-30.541.7000114.7N330 N393 S394N330-P391 HydrophobicContact CB-CG 4.45Å; N330-P391 WeakPolarHBondContact OD1-CG 3.35Å; P391-N393 VanDerWaalsContact C-N 3.31Å; P391-S394 WeakPolarHBondContact O-CB 3.14Å; P391-S394 PolarHBondContact O-N 2.87Å
392L67Low79.3Confident133 Ų13347 Ų4770%0.69625%0.251SS*.G310 helixtrans-67.4-34.4173.2-59.8169.2000111.5N390 S394N390-L392 PolarHBondContact O-N 3.48Å; N390-L392 VanDerWaalsContact OD1-CB 3.26Å; N390-L392 WeakPolarHBondContact OD1-CB 3.44Å; N390-L392 PolarHBondContact OD1-N 3.36Å; N390-L392 VanDerWaalsContact OD1-N 3.14Å; L392-S394 PolarHBondContact O-N 3.12Å
393N70.6Confident79.5Confident40 Ų4046.9 Ų46.921%0.21425%0.251CS..G310 helixtrans-70.2-13176.5-66-0.6000112.1D386 N390 P391 T395 Q396 W397D386-N393 PolarHBondContact OD1-ND2 3.31Å; D386-N393 VanDerWaalsContact OD2-CB 3.22Å; D386-N393 WeakPolarHBondContact OD2-CB 3.46Å; D386-N393 PolarHBondContact OD2-ND2 3.45Å; N390-N393 PolarHBondContact ND2-OD1 2.84Å; N390-N393 WeakPolarHBondContact O-CB 3.35Å; N390-N393 PolarHBondContact O-N 3.38Å; P391-N393 VanDerWaalsContact C-N 3.31Å; N393-T395 PolarHBondContact O-N 3.12Å; N393-Q396 WeakPolarHBondContact O-CB 3.3Å; N393-Q396 PolarHBondContact O-N 3.44Å; N393-W397 PolarHBondContact O-N 3.37Å; N393-W397 VanDerWaalsContact O-N 3.12Å
394S74.3Confident79.6Confident7 Ų746.9 Ų46.95%0.04925%0.251CS..Hα-helixtrans-52.8-32.6175.6179.70000113M387 P391 L392 M398M387-S394 WeakPolarHBondContact CE-OG 3.2Å; P391-S394 WeakPolarHBondContact O-CB 3.14Å; P391-S394 PolarHBondContact O-N 2.87Å; L392-S394 PolarHBondContact O-N 3.12Å; S394-M398 VanDerWaalsContact O-CB 3.32Å; S394-M398 WeakPolarHBondContact O-CB 3.36Å; S394-M398 PolarHBondContact O-N 2.85Å; S394-M398 VanDerWaalsContact O-N 3.11Å
395T76.8Confident79.9Confident87 Ų8749.8 Ų49.853%0.53427%0.27SS..Hα-helixtrans-72.1-38.6179.4-51.20000111.4N393 M398 N399N393-T395 PolarHBondContact O-N 3.12Å; T395-M398 PolarHBondContact O-N 3.47Å; T395-N399 PolarHBondContact O-N 3.48Å; T395-N399 PolarHBondContact O-ND2 3.39Å
396Q81.8Confident80.3Confident82 Ų8249.4 Ų49.438%0.38327%0.268SS..Hα-helixtrans-62-50.7176.3-179.5-177.1-7.100110.4N393 M398 N399 D400N393-Q396 WeakPolarHBondContact O-CB 3.3Å; N393-Q396 PolarHBondContact O-N 3.44Å; Q396-M398 PolarHBondContact O-N 2.9Å; Q396-N399 PolarHBondContact O-N 2.89Å; Q396-D400 PolarHBondContact O-N 3.24Å
397W84.4Confident80.8Confident15 Ų1549 Ų496%0.05727%0.266CS..Hα-helixtrans-66.7-24.7179.2-68.3113000114.1L184 K379 A383 D386 M387 N393 N399 D400 T403 G404L184-W397 HydrophobicContact CD1-CH2 3.94Å; L184-W397 HydrophobicContact CD1-CZ2 4.47Å; L184-W397 HydrophobicContact CD2-CH2 3.51Å; L184-W397 HydrophobicContact CD2-CZ2 4.44Å; L184-W397 HydrophobicContact CD2-CZ3 4.24Å; L184-W397 HydrophobicContact CG-CH2 4.38Å; K379-W397 HydrophobicContact CG-CZ3 4.48Å; A383-W397 HydrophobicContact CB-CD2 3.43Å; A383-W397 VanDerWaalsContact CB-CD2 3.43Å; A383-W397 HydrophobicContact CB-CE3 3.32Å; A383-W397 HydrophobicContact CB-CG 4.03Å; A383-W397 HydrophobicContact CB-CH2 3.84Å; A383-W397 HydrophobicContact CB-CZ2 4Å; A383-W397 HydrophobicContact CB-CZ3 3.53Å; D386-W397 HydrophobicContact CB-CZ2 4.3Å; D386-W397 PolarHBondContact OD2-NE1 3.27Å; M387-W397 HydrophobicContact CG-CB 4.17Å; M387-W397 HydrophobicContact CG-CG 4.04Å; M387-W397 HydrophobicContact SD-CB 3.63Å; M387-W397 HydrophobicContact SD-CG 4.09Å; N393-W397 PolarHBondContact O-N 3.37Å; N393-W397 VanDerWaalsContact O-N 3.12Å; W397-N399 VanDerWaalsContact C-N 3.28Å; W397-D400 HydrophobicContact CE3-CB 4.24Å; W397-D400 PolarHBondContact O-N 3.29Å; W397-T403 HydrophobicContact CB-CG2 4.42Å; W397-T403 HydrophobicContact CE3-CG2 4.33Å; W397-G404 WeakPolarHBondContact O-CA 3.42Å; W397-G404 PolarHBondContact O-N 3.05Å
398M84.1Confident81.2Confident73 Ų7352.9 Ų52.936%0.3629%0.286SS..Hα-helixtrans-72.6-23174.1-167.9152.557.200112.8S394 T395 Q396 G404 L408S394-M398 VanDerWaalsContact O-CB 3.32Å; S394-M398 WeakPolarHBondContact O-CB 3.36Å; S394-M398 PolarHBondContact O-N 2.85Å; S394-M398 VanDerWaalsContact O-N 3.11Å; T395-M398 PolarHBondContact O-N 3.47Å; Q396-M398 PolarHBondContact O-N 2.9Å; M398-G404 WeakPolarHBondContact O-CA 3.33Å; M398-L408 HydrophobicContact CG-CD2 4.19Å; M398-L408 HydrophobicContact CG-CG 4.36Å; M398-L408 HydrophobicContact SD-CD2 4.02Å
399N83.6Confident81.9Confident130 Ų13053.9 Ų53.970%0.69529%0.29SS*.Hα-helixtrans-91.2-11174.7-64.9-35.2000113.1T395 Q396 W397T395-N399 PolarHBondContact O-N 3.48Å; T395-N399 PolarHBondContact O-ND2 3.39Å; Q396-N399 PolarHBondContact O-N 2.89Å; W397-N399 VanDerWaalsContact C-N 3.28Å
400D86.2Confident82.7Confident27 Ų2751.7 Ų51.714%0.14428%0.28CS..SBendtrans-66.1132.8177.4177.371.7000110.7K379 Q396 W397 E402 T403 G404K379-D400 WeakPolarHBondContact CE-OD1 3.48Å; K379-D400 IonicContact NZ-OD1 3.02Å; K379-D400 PolarHBondContact NZ-OD1 3.45Å; K379-D400 IonicContact NZ-OD2 2.81Å; Q396-D400 PolarHBondContact O-N 3.24Å; W397-D400 HydrophobicContact CE3-CB 4.24Å; W397-D400 PolarHBondContact O-N 3.29Å; D400-E402 PolarHBondContact O-N 3.01Å; D400-E402 PolarHBondContact OD2-N 3.2Å; D400-T403 VanDerWaalsContact OD2-CB 3.28Å; D400-T403 WeakPolarHBondContact OD2-CB 3.22Å; D400-T403 PolarHBondContact OD2-N 3.49Å; D400-T403 PolarHBondContact OD2-OG1 3.41Å; D400-G404 VanDerWaalsContact O-CA 3.29Å; D400-G404 WeakPolarHBondContact O-CA 3.34Å; D400-G404 PolarHBondContact O-N 3.5Å
401P85Confident83.6Confident109 Ų10950 Ų5071%0.70827%0.273SS*.THydrogen-bonded Turntrans-64.7-23.8-175.722.9-34.2000114.3P405P401-P405 WeakPolarHBondContact O-CD 3.47Å; P401-P405 WeakPolarHBondContact O-CG 3.38Å
402E84.1Confident84.5Confident100 Ų10055.3 Ų55.347%0.46729%0.289SS..THydrogen-bonded Turntrans-97.1-41.3-178-63.7180119.600111.8K379 D400K379-E402 WeakPolarHBondContact CD-OE2 3.29Å; K379-E402 IonicContact NZ-OE2 2.72Å; K379-E402 PolarHBondContact NZ-OE2 3.21Å; D400-E402 PolarHBondContact O-N 3.01Å; D400-E402 PolarHBondContact OD2-N 3.2Å
403T88.5Confident85.5Confident0 Ų049.9 Ų49.90%026%0.261CS..THydrogen-bonded Turntrans-90.3-35.6-175.1-48.90000112.5T380 A383 F384 W397 D400 V406 M407T380-T403 HydrophobicContact CG2-CG2 4.4Å; A383-T403 HydrophobicContact CB-CG2 3.52Å; F384-T403 HydrophobicContact CE1-CG2 4.46Å; W397-T403 HydrophobicContact CB-CG2 4.42Å; W397-T403 HydrophobicContact CE3-CG2 4.33Å; D400-T403 VanDerWaalsContact OD2-CB 3.28Å; D400-T403 WeakPolarHBondContact OD2-CB 3.22Å; D400-T403 PolarHBondContact OD2-N 3.49Å; D400-T403 PolarHBondContact OD2-OG1 3.41Å; T403-V406 WeakPolarHBondContact O-CB 3.49Å; T403-V406 PolarHBondContact O-N 3.49Å; T403-V406 VanDerWaalsContact O-N 3.1Å; T403-M407 HydrophobicContact CG2-CG 4.37Å; T403-M407 PolarHBondContact O-N 3.42Å; T403-M407 VanDerWaalsContact O-N 3.1Å
404G88.6Confident86.3Confident1 Ų148.7 Ų48.71%0.0125%0.254CS..Hα-helixtrans-56.1-46.7-17800000114.1W397 M398 D400 V406 M407 L408W397-G404 WeakPolarHBondContact O-CA 3.42Å; W397-G404 PolarHBondContact O-N 3.05Å; M398-G404 WeakPolarHBondContact O-CA 3.33Å; D400-G404 VanDerWaalsContact O-CA 3.29Å; D400-G404 WeakPolarHBondContact O-CA 3.34Å; D400-G404 PolarHBondContact O-N 3.5Å; G404-V406 VanDerWaalsContact C-N 3.26Å; G404-V406 PolarHBondContact O-N 2.93Å; G404-M407 PolarHBondContact O-N 3.28Å; G404-L408 WeakPolarHBondContact O-CB 3.45Å; G404-L408 WeakPolarHBondContact O-CG 3.49Å; G404-L408 PolarHBondContact O-N 2.89Å
405P92.1Very high86.9Confident60 Ų6053.2 Ų53.239%0.3927%0.274SS..Hα-helixtrans-58.1-36.5176.1-26.335.4000113.4V370 P401 Q409V370-P405 HydrophobicContact CG1-CB 4.44Å; P401-P405 WeakPolarHBondContact O-CD 3.47Å; P401-P405 WeakPolarHBondContact O-CG 3.38Å; P405-Q409 VanDerWaalsContact O-CG 3.23Å; P405-Q409 WeakPolarHBondContact O-CG 3.43Å; P405-Q409 PolarHBondContact O-N 3.28Å
406V92.1Very high87.3Confident4 Ų453.1 Ų53.12%0.02427%0.274CS..Hα-helixtrans-67.2-49.2178.3-178.80000110.1V371 T380 F384 T403 G404 L408 Q409 I410V371-V406 HydrophobicContact CB-CG1 4.49Å; V371-V406 HydrophobicContact CG1-CG1 4.31Å; V371-V406 HydrophobicContact CG2-CG1 4.35Å; T380-V406 HydrophobicContact CG2-CG1 4.36Å; T380-V406 HydrophobicContact CG2-CG2 4.5Å; F384-V406 HydrophobicContact CZ-CG1 3.79Å; T403-V406 WeakPolarHBondContact O-CB 3.49Å; T403-V406 PolarHBondContact O-N 3.49Å; T403-V406 VanDerWaalsContact O-N 3.1Å; G404-V406 VanDerWaalsContact C-N 3.26Å; G404-V406 PolarHBondContact O-N 2.93Å; V406-L408 PolarHBondContact O-N 3.42Å; V406-Q409 PolarHBondContact O-N 3.01Å; V406-I410 HydrophobicContact CG1-CD1 3.98Å; V406-I410 WeakPolarHBondContact O-CG1 3.3Å; V406-I410 PolarHBondContact O-N 2.98Å
407M89.3Confident87.2Confident2 Ų252.1 Ų52.11%0.0127%0.271CS..Hα-helixtrans-60.8-42.4178.8-78.4-59.1-51.600113.1L152 L156 F384 M387 T403 G404 Q409 I410 S411L152-M407 HydrophobicContact CD1-CE 3.78Å; L152-M407 HydrophobicContact CD2-CE 4.26Å; L156-M407 HydrophobicContact CD2-SD 4.24Å; F384-M407 HydrophobicContact CD1-SD 4.14Å; F384-M407 HydrophobicContact CE1-CG 4.17Å; F384-M407 HydrophobicContact CE1-SD 3.58Å; F384-M407 VanDerWaalsContact CE1-SD 3.58Å; F384-M407 HydrophobicContact CZ-SD 4.47Å; M387-M407 HydrophobicContact CE-CE 3.27Å; M387-M407 HydrophobicContact CE-CG 4.33Å; M387-M407 HydrophobicContact CE-SD 3.69Å; M387-M407 HydrophobicContact SD-CE 4.3Å; M387-M407 HydrophobicContact SD-CG 4.21Å; M387-M407 HydrophobicContact SD-SD 3.97Å; T403-M407 HydrophobicContact CG2-CG 4.37Å; T403-M407 PolarHBondContact O-N 3.42Å; T403-M407 VanDerWaalsContact O-N 3.1Å; G404-M407 PolarHBondContact O-N 3.28Å; M407-Q409 VanDerWaalsContact C-N 3.31Å; M407-Q409 PolarHBondContact O-N 3.31Å; M407-I410 PolarHBondContact O-N 3.26Å; M407-I410 HydrophobicContact SD-CD1 4.36Å; M407-S411 PolarHBondContact O-N 3.36Å
408L89.1Confident86.5Confident87 Ų8756.3 Ų56.346%0.45529%0.294SS..Hα-helixtrans-63.6-36.9177-73.5171.5000112.1M398 G404 V406 R412M398-L408 HydrophobicContact CG-CD2 4.19Å; M398-L408 HydrophobicContact CG-CG 4.36Å; M398-L408 HydrophobicContact SD-CD2 4.02Å; G404-L408 WeakPolarHBondContact O-CB 3.45Å; G404-L408 WeakPolarHBondContact O-CG 3.49Å; G404-L408 PolarHBondContact O-N 2.89Å; V406-L408 PolarHBondContact O-N 3.42Å; L408-R412 WeakPolarHBondContact O-CB 3.44Å; L408-R412 PolarHBondContact O-N 2.8Å
409Q90.1Very high85.5Confident46 Ų4663.2 Ų63.222%0.21532%0.316CS..Hα-helixtrans-69.5-42.5175.9-67.6-66.9-400111.6V370 V371 P405 V406 M407 S411 R412 I413V370-Q409 HydrophobicContact CB-CG 4.23Å; V370-Q409 HydrophobicContact CG1-CG 4.19Å; V371-Q409 HydrophobicContact CG2-CB 4.15Å; P405-Q409 VanDerWaalsContact O-CG 3.23Å; P405-Q409 WeakPolarHBondContact O-CG 3.43Å; P405-Q409 PolarHBondContact O-N 3.28Å; V406-Q409 PolarHBondContact O-N 3.01Å; M407-Q409 VanDerWaalsContact C-N 3.31Å; M407-Q409 PolarHBondContact O-N 3.31Å; Q409-S411 VanDerWaalsContact C-N 3.33Å; Q409-S411 PolarHBondContact O-N 3.18Å; Q409-R412 PolarHBondContact O-N 2.91Å; Q409-I413 WeakPolarHBondContact O-CD1 3.35Å; Q409-I413 VanDerWaalsContact O-CG1 3.24Å; Q409-I413 WeakPolarHBondContact O-CG1 3.34Å; Q409-I413 PolarHBondContact O-N 2.63Å
410I90.4Very high83.8Confident0 Ų064.8 Ų64.80%033%0.331CS..Hα-helixtrans-57.6-48174.8-67.1163.6000110.4I155 L159 I365 V371 F384 V406 M407 R412 I413 F414I155-I410 HydrophobicContact CG2-CG2 3.8Å; L159-I410 HydrophobicContact CD1-CD1 3.51Å; L159-I410 HydrophobicContact CD1-CG1 4.24Å; I365-I410 HydrophobicContact CD1-CG2 4.3Å; I365-I410 HydrophobicContact CG2-CG1 4.15Å; V371-I410 HydrophobicContact CG1-CG1 4.44Å; V371-I410 HydrophobicContact CG2-CG1 4.02Å; F384-I410 HydrophobicContact CE1-CD1 4.49Å; F384-I410 HydrophobicContact CZ-CD1 3.91Å; V406-I410 HydrophobicContact CG1-CD1 3.98Å; V406-I410 WeakPolarHBondContact O-CG1 3.3Å; V406-I410 PolarHBondContact O-N 2.98Å; M407-I410 PolarHBondContact O-N 3.26Å; M407-I410 HydrophobicContact SD-CD1 4.36Å; I410-R412 PolarHBondContact O-N 2.7Å; I410-I413 PolarHBondContact O-N 2.93Å; I410-F414 WeakPolarHBondContact O-CB 3.47Å; I410-F414 PolarHBondContact O-N 3.23Å
411S88.1Confident83.7Confident21 Ų2166.7 Ų66.715%0.14734%0.34CS..Hα-helixtrans-61.4-42.5177.5-174.50000112.3M407 Q409 F414 Q415M407-S411 PolarHBondContact O-N 3.36Å; Q409-S411 VanDerWaalsContact C-N 3.33Å; Q409-S411 PolarHBondContact O-N 3.18Å; S411-F414 PolarHBondContact O-N 3.2Å; S411-Q415 WeakPolarHBondContact O-CB 3.38Å; S411-Q415 VanDerWaalsContact O-CG 3.25Å; S411-Q415 WeakPolarHBondContact O-CG 3.22Å; S411-Q415 PolarHBondContact O-N 2.81Å; S411-Q415 PolarHBondContact OG-NE2 3.36Å; S411-Q415 VanDerWaalsContact OG-NE2 3.07Å
412R88.6Confident83.6Confident137 Ų13764.4 Ų64.452%0.51732%0.32SS..Hα-helixtrans-62.7-44176.9-174.7-176.8-68.8136.5-2.5111.9L408 Q409 I410 Q415 T416L408-R412 WeakPolarHBondContact O-CB 3.44Å; L408-R412 PolarHBondContact O-N 2.8Å; Q409-R412 PolarHBondContact O-N 2.91Å; I410-R412 PolarHBondContact O-N 2.7Å; R412-Q415 PolarHBondContact O-N 3.11Å; R412-T416 WeakPolarHBondContact O-CB 3.09Å; R412-T416 PolarHBondContact O-N 3.18Å; R412-T416 PolarHBondContact O-OG1 2.97Å
413I88.6Confident83.6Confident20 Ų2062.4 Ų62.410%0.10331%0.312CS..Hα-helixtrans-64.7-45.5179.7-66.6164.1000109.8L361 A364 I365 N368 Q409 I410 Q415 T416 L417L361-I413 HydrophobicContact CD1-CG2 4.28Å; A364-I413 HydrophobicContact CB-CG2 3.77Å; I365-I413 HydrophobicContact CG1-CB 4.33Å; I365-I413 HydrophobicContact CG1-CD1 4.42Å; I365-I413 HydrophobicContact CG1-CG2 3.88Å; N368-I413 HydrophobicContact CB-CD1 3.89Å; Q409-I413 WeakPolarHBondContact O-CD1 3.35Å; Q409-I413 VanDerWaalsContact O-CG1 3.24Å; Q409-I413 WeakPolarHBondContact O-CG1 3.34Å; Q409-I413 PolarHBondContact O-N 2.63Å; I410-I413 PolarHBondContact O-N 2.93Å; I413-Q415 PolarHBondContact O-N 3.04Å; I413-T416 PolarHBondContact O-N 3.48Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 PolarHBondContact O-N 3.3Å; I413-L417 VanDerWaalsContact O-N 3.08Å
414F87.4Confident83.3Confident15 Ų1566.1 Ų66.17%0.06633%0.331CS..Hα-helixtrans-56.2-51.4175.1179.9-93.7000112.3F148 E151 I155 L361 I410 S411 T416 L417 N418F148-F414 HydrophobicContact CB-CD1 4.04Å; F148-F414 HydrophobicContact CB-CE1 3.74Å; F148-F414 HydrophobicContact CB-CZ 4.47Å; F148-F414 HydrophobicContact CD2-CB 4Å; F148-F414 AromaticContact CD2-CD1 3.36Å; F148-F414 HydrophobicContact CD2-CD1 3.36Å; F148-F414 HydrophobicContact CD2-CD2 4.15Å; F148-F414 AromaticContact CD2-CE1 3.76Å; F148-F414 HydrophobicContact CD2-CE1 3.76Å; F148-F414 HydrophobicContact CD2-CE2 4.49Å; F148-F414 AromaticContact CD2-CG 3.56Å; F148-F414 HydrophobicContact CD2-CG 3.56Å; F148-F414 HydrophobicContact CD2-CZ 4.31Å; F148-F414 HydrophobicContact CE2-CB 3.96Å; F148-F414 HydrophobicContact CE2-CD1 4.2Å; F148-F414 AromaticContact CE2-CG 4Å; F148-F414 HydrophobicContact CE2-CG 4Å; F148-F414 HydrophobicContact CG-CD1 4.1Å; F148-F414 HydrophobicContact CG-CE1 4.24Å; E151-F414 HydrophobicContact CB-CE2 3.69Å; E151-F414 HydrophobicContact CB-CZ 3.92Å; E151-F414 HydrophobicContact CG-CE2 4.16Å; E151-F414 HydrophobicContact CG-CZ 4.16Å; I155-F414 HydrophobicContact CD1-CD2 3.84Å; I155-F414 HydrophobicContact CD1-CE2 4.34Å; L361-F414 HydrophobicContact CD1-CB 4.25Å; L361-F414 HydrophobicContact CD1-CD2 4.17Å; L361-F414 HydrophobicContact CD2-CD2 3.77Å; L361-F414 HydrophobicContact CD2-CE2 4.2Å; I410-F414 WeakPolarHBondContact O-CB 3.47Å; I410-F414 PolarHBondContact O-N 3.23Å; S411-F414 PolarHBondContact O-N 3.2Å; F414-T416 VanDerWaalsContact C-N 3.27Å; F414-T416 PolarHBondContact O-N 3.22Å; F414-L417 PolarHBondContact O-N 3Å; F414-N418 VanDerWaalsContact O-CB 3.27Å; F414-N418 WeakPolarHBondContact O-CB 3.38Å; F414-N418 PolarHBondContact O-N 3.48Å
415Q85.7Confident83Confident101 Ų10170.2 Ų70.247%0.47235%0.351SS..Hα-helixtrans-63.2-33179.2-70.7173.53100113S411 R412 I413 R419S411-Q415 WeakPolarHBondContact O-CB 3.38Å; S411-Q415 VanDerWaalsContact O-CG 3.25Å; S411-Q415 WeakPolarHBondContact O-CG 3.22Å; S411-Q415 PolarHBondContact O-N 2.81Å; S411-Q415 PolarHBondContact OG-NE2 3.36Å; S411-Q415 VanDerWaalsContact OG-NE2 3.07Å; R412-Q415 PolarHBondContact O-N 3.11Å; I413-Q415 PolarHBondContact O-N 3.04Å; Q415-R419 WeakPolarHBondContact O-CG 3.5Å; Q415-R419 PolarHBondContact O-N 3.5Å
416T85.4Confident82.4Confident85 Ų8570.9 Ų70.952%0.52135%0.348SS..Hα-helixtrans-69.4-45.2-179.8-55.80000111R412 I413 F414R412-T416 WeakPolarHBondContact O-CB 3.09Å; R412-T416 PolarHBondContact O-N 3.18Å; R412-T416 PolarHBondContact O-OG1 2.97Å; I413-T416 PolarHBondContact O-N 3.48Å; F414-T416 VanDerWaalsContact C-N 3.27Å; F414-T416 PolarHBondContact O-N 3.22Å
417L79.7Confident81.7Confident62 Ų6275.6 Ų75.633%0.32537%0.371SS..Hα-helixtrans-79.5-24.6-177-74166.1000113.7L361 A364 I413 F414 R419 T420L361-L417 HydrophobicContact CB-CD1 4.3Å; L361-L417 HydrophobicContact CD1-CD1 3.88Å; A364-L417 HydrophobicContact CB-CD1 3.74Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 PolarHBondContact O-N 3.3Å; I413-L417 VanDerWaalsContact O-N 3.08Å; F414-L417 PolarHBondContact O-N 3Å; L417-R419 VanDerWaalsContact C-N 3.32Å; L417-T420 PolarHBondContact O-OG1 3.37Å
418N70.7Confident81.1Confident103 Ų10381.3 Ų81.355%0.55140%0.399SS*.THydrogen-bonded Turntrans-85-6.7177-148.38.9000112.9F414F414-N418 VanDerWaalsContact O-CB 3.27Å; F414-N418 WeakPolarHBondContact O-CB 3.38Å; F414-N418 PolarHBondContact O-N 3.48Å
419R63.1Low80.4Confident218 Ų21880.8 Ų80.882%0.82339%0.394SS*.  trans-93.1-17.7173.9-84.5-177.3177.4-177.41.9113.9Q415 L417Q415-R419 WeakPolarHBondContact O-CG 3.5Å; Q415-R419 PolarHBondContact O-N 3.5Å; L417-R419 VanDerWaalsContact C-N 3.32Å
420T47.3Very low79.5Confident162 Ų16284 Ų8499%0.99441%0.411SS*.  trans-94.30174.1460000110.3L417L417-T420 PolarHBondContact O-OG1 3.37Å

Retrieved 420 of 420 residues in 74.5 ms (Link to these results)

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