A0A3Q0KG94_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KG94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 729 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.6Very low43.9Very low117 Ų11759.7 Ų59.758%0.57631%0.312SS*.  0130.40-87.6-173.5177.400108.8D5 V6 V9 N677M1-D5 HydrophobicContact CB-CB 3.72Å; M1-D5 HydrophobicContact CG-CB 3.59Å; M1-D5 HydrophobicContact SD-CB 4.14Å; M1-V6 HydrophobicContact CB-CG2 3.63Å; M1-V6 HydrophobicContact CG-CG2 4.44Å; M1-V6 HydrophobicContact SD-CG2 3.98Å; M1-V9 HydrophobicContact CE-CB 4.25Å; M1-V9 HydrophobicContact CE-CG2 3.37Å; M1-V9 HydrophobicContact SD-CG2 4.14Å; M1-N677 HydrophobicContact SD-CB 4.36Å
2T41.8Very low44.2Very low81 Ų8165.4 Ų65.450%0.49733%0.332SS..  trans-63.3159161.564.60000109.1L4 D5 V6T2-L4 PolarHBondContact O-N 3.46Å; T2-D5 WeakPolarHBondContact CB-OD2 3.5Å; T2-D5 PolarHBondContact N-OD2 3.19Å; T2-D5 WeakPolarHBondContact O-CA 3.41Å; T2-D5 WeakPolarHBondContact O-CB 3.47Å; T2-D5 PolarHBondContact O-N 2.71Å; T2-D5 PolarHBondContact OG1-N 2.76Å; T2-D5 VanDerWaalsContact OG1-N 3.1Å; T2-D5 PolarHBondContact OG1-OD1 2.89Å; T2-D5 PolarHBondContact OG1-OD2 2.75Å; T2-V6 PolarHBondContact O-N 3.12Å
3W42.7Very low44.6Very low106 Ų10662.7 Ų62.740%0.40232%0.316SS..Hα-helixtrans-54.6-34.9172-104.194.8000111.8D5 V6 I7 W680 W684W3-D5 VanDerWaalsContact C-N 3.31Å; W3-D5 PolarHBondContact O-N 2.8Å; W3-V6 PolarHBondContact O-N 3.47Å; W3-I7 HydrophobicContact CE3-CD1 3.65Å; W3-I7 HydrophobicContact CE3-CG1 3.89Å; W3-I7 HydrophobicContact CZ3-CD1 4.26Å; W3-I7 HydrophobicContact CZ3-CG1 4.29Å; W3-I7 VanDerWaalsContact O-CB 3.3Å; W3-I7 WeakPolarHBondContact O-CB 3.42Å; W3-I7 WeakPolarHBondContact O-CD1 3.37Å; W3-I7 VanDerWaalsContact O-CG1 3.23Å; W3-I7 WeakPolarHBondContact O-CG1 3.49Å; W3-I7 PolarHBondContact O-N 2.61Å; W3-W680 AromaticContact CH2-CH2 3.34Å; W3-W680 HydrophobicContact CH2-CH2 3.34Å; W3-W680 HydrophobicContact CH2-CZ2 4.17Å; W3-W680 HydrophobicContact CH2-CZ3 4.13Å; W3-W680 AromaticContact CZ2-CH2 3.67Å; W3-W680 HydrophobicContact CZ2-CH2 3.67Å; W3-W680 HydrophobicContact CZ2-CZ2 4.38Å; W3-W680 AromaticContact CZ3-CH2 3.77Å; W3-W680 HydrophobicContact CZ3-CH2 3.77Å; W3-W680 HydrophobicContact CZ3-CZ3 4.11Å; W3-W684 HydrophobicContact CH2-CZ2 4.45Å
4L44.1Very low45Very low125 Ų12558.6 Ų58.665%0.65430%0.295SS*.Hα-helixtrans-60.9-40.7173.5-167.171.5000111.1T2 T8T2-L4 PolarHBondContact O-N 3.46Å; L4-T8 WeakPolarHBondContact O-CA 3.43Å; L4-T8 WeakPolarHBondContact O-CB 3.27Å; L4-T8 PolarHBondContact O-N 3.22Å; L4-T8 PolarHBondContact O-OG1 3.09Å
5D47.4Very low44.9Very low68 Ų6863.9 Ų63.936%0.36431%0.31SS..Hα-helixtrans-67.2-44.4175.8-56.8-40.6000111.7M1 T2 W3 I7 T8 V9M1-D5 HydrophobicContact CB-CB 3.72Å; M1-D5 HydrophobicContact CG-CB 3.59Å; M1-D5 HydrophobicContact SD-CB 4.14Å; T2-D5 WeakPolarHBondContact CB-OD2 3.5Å; T2-D5 PolarHBondContact N-OD2 3.19Å; T2-D5 WeakPolarHBondContact O-CA 3.41Å; T2-D5 WeakPolarHBondContact O-CB 3.47Å; T2-D5 PolarHBondContact O-N 2.71Å; T2-D5 PolarHBondContact OG1-N 2.76Å; T2-D5 VanDerWaalsContact OG1-N 3.1Å; T2-D5 PolarHBondContact OG1-OD1 2.89Å; T2-D5 PolarHBondContact OG1-OD2 2.75Å; W3-D5 VanDerWaalsContact C-N 3.31Å; W3-D5 PolarHBondContact O-N 2.8Å; D5-I7 PolarHBondContact O-N 3.45Å; D5-T8 CarbonylContact O-C 3.52Å; D5-T8 WeakPolarHBondContact O-CA 3.5Å; D5-T8 WeakPolarHBondContact O-CB 3.13Å; D5-T8 PolarHBondContact O-N 3.1Å; D5-T8 VanDerWaalsContact O-N 3.12Å; D5-V9 WeakPolarHBondContact O-CB 3.49Å; D5-V9 VanDerWaalsContact O-CG2 3.27Å; D5-V9 WeakPolarHBondContact O-CG2 3.02Å; D5-V9 PolarHBondContact O-N 3.47Å
6V38.7Very low44.9Very low14 Ų1474.6 Ų74.69%0.08535%0.346CS..Hα-helixtrans-64.2-42.6179-175.30000111M1 T2 W3 T8 V9 G10 W680 A681M1-V6 HydrophobicContact CB-CG2 3.63Å; M1-V6 HydrophobicContact CG-CG2 4.44Å; M1-V6 HydrophobicContact SD-CG2 3.98Å; T2-V6 PolarHBondContact O-N 3.12Å; W3-V6 PolarHBondContact O-N 3.47Å; V6-T8 VanDerWaalsContact C-N 3.34Å; V6-V9 PolarHBondContact O-N 3.27Å; V6-G10 PolarHBondContact O-N 2.76Å; V6-W680 HydrophobicContact CB-CZ3 4.43Å; V6-W680 HydrophobicContact CG1-CE3 3.63Å; V6-W680 HydrophobicContact CG1-CZ3 3.46Å; V6-W680 VanDerWaalsContact CG1-CZ3 3.46Å; V6-A681 HydrophobicContact CG1-CB 4.14Å
7I44.4Very low44.7Very low44 Ų4474 Ų7423%0.22635%0.346CS..Hα-helixtrans-64.6-40.6172.7-70.8161.4000110.1W3 D5 V9 G10 T11 L24W3-I7 HydrophobicContact CE3-CD1 3.65Å; W3-I7 HydrophobicContact CE3-CG1 3.89Å; W3-I7 HydrophobicContact CZ3-CD1 4.26Å; W3-I7 HydrophobicContact CZ3-CG1 4.29Å; W3-I7 VanDerWaalsContact O-CB 3.3Å; W3-I7 WeakPolarHBondContact O-CB 3.42Å; W3-I7 WeakPolarHBondContact O-CD1 3.37Å; W3-I7 VanDerWaalsContact O-CG1 3.23Å; W3-I7 WeakPolarHBondContact O-CG1 3.49Å; W3-I7 PolarHBondContact O-N 2.61Å; D5-I7 PolarHBondContact O-N 3.45Å; I7-V9 VanDerWaalsContact C-N 3.29Å; I7-V9 PolarHBondContact O-N 3.24Å; I7-G10 PolarHBondContact O-N 3.13Å; I7-T11 HydrophobicContact CG2-CG2 3.93Å; I7-T11 WeakPolarHBondContact O-CA 3.47Å; I7-T11 WeakPolarHBondContact O-CB 3.44Å; I7-T11 WeakPolarHBondContact O-CG2 3.34Å; I7-T11 PolarHBondContact O-N 3.15Å; I7-T11 PolarHBondContact O-OG1 3.38Å; I7-L24 HydrophobicContact CD1-CD2 3.95Å; I7-L24 HydrophobicContact CG1-CD2 4.2Å; I7-L24 HydrophobicContact CG2-CD1 3.4Å; I7-L24 HydrophobicContact CG2-CD2 3.58Å; I7-L24 HydrophobicContact CG2-CG 4.1Å
8T47.9Very low44.4Very low47 Ų4780.3 Ų80.329%0.28838%0.375SS..Hα-helixtrans-64.4-36177.4-63.90000111.3L4 D5 V6 T11 K12L4-T8 WeakPolarHBondContact O-CA 3.43Å; L4-T8 WeakPolarHBondContact O-CB 3.27Å; L4-T8 PolarHBondContact O-N 3.22Å; L4-T8 PolarHBondContact O-OG1 3.09Å; D5-T8 CarbonylContact O-C 3.52Å; D5-T8 WeakPolarHBondContact O-CA 3.5Å; D5-T8 WeakPolarHBondContact O-CB 3.13Å; D5-T8 PolarHBondContact O-N 3.1Å; D5-T8 VanDerWaalsContact O-N 3.12Å; V6-T8 VanDerWaalsContact C-N 3.34Å; T8-T11 VanDerWaalsContact C-OG1 3.31Å; T8-T11 WeakPolarHBondContact CA-OG1 3.2Å; T8-T11 PolarHBondContact O-OG1 2.93Å; T8-K12 WeakPolarHBondContact O-CA 3.22Å; T8-K12 WeakPolarHBondContact O-CB 3.39Å; T8-K12 WeakPolarHBondContact O-CG 3.35Å; T8-K12 PolarHBondContact O-N 2.79Å
9V48.3Very low44.2Very low33 Ų3385.3 Ų85.320%0.239%0.39CS..Hα-helixtrans-75.6-46.5176.9170.70000111.2M1 D5 V6 I7 T11 K12 Y13 V678M1-V9 HydrophobicContact CE-CB 4.25Å; M1-V9 HydrophobicContact CE-CG2 3.37Å; M1-V9 HydrophobicContact SD-CG2 4.14Å; D5-V9 WeakPolarHBondContact O-CB 3.49Å; D5-V9 VanDerWaalsContact O-CG2 3.27Å; D5-V9 WeakPolarHBondContact O-CG2 3.02Å; D5-V9 PolarHBondContact O-N 3.47Å; V6-V9 PolarHBondContact O-N 3.27Å; I7-V9 VanDerWaalsContact C-N 3.29Å; I7-V9 PolarHBondContact O-N 3.24Å; V9-T11 VanDerWaalsContact C-N 3.31Å; V9-T11 PolarHBondContact O-N 3.05Å; V9-K12 CarbonylContact O-C 3.5Å; V9-K12 WeakPolarHBondContact O-CA 3.48Å; V9-K12 WeakPolarHBondContact O-CB 3.29Å; V9-K12 PolarHBondContact O-N 3.49Å; V9-Y13 VanDerWaalsContact O-CB 3.28Å; V9-Y13 WeakPolarHBondContact O-CB 3.23Å; V9-Y13 PolarHBondContact O-N 3.36Å; V9-V678 HydrophobicContact CG1-CG2 3.43Å; V9-V678 VanDerWaalsContact CG1-CG2 3.43Å
10G46.3Very low43.9Very low1 Ų181.8 Ų81.81%0.0137%0.374CS..Hα-helixtrans-60.7-39.3172.500000112.4V6 I7 Y13 L14V6-G10 PolarHBondContact O-N 2.76Å; I7-G10 PolarHBondContact O-N 3.13Å; G10-Y13 PolarHBondContact O-N 3.48Å; G10-L14 WeakPolarHBondContact O-CB 3.49Å; G10-L14 VanDerWaalsContact O-CG 3.26Å; G10-L14 WeakPolarHBondContact O-CG 3.48Å; G10-L14 PolarHBondContact O-N 3.1Å
11T46.4Very low43.6Very low21 Ų2182.8 Ų82.813%0.12939%0.388CS..Hα-helixtrans-73.1-28.2172.6610000112.5I7 T8 V9 L14 R15 L20 L24I7-T11 HydrophobicContact CG2-CG2 3.93Å; I7-T11 WeakPolarHBondContact O-CA 3.47Å; I7-T11 WeakPolarHBondContact O-CB 3.44Å; I7-T11 WeakPolarHBondContact O-CG2 3.34Å; I7-T11 PolarHBondContact O-N 3.15Å; I7-T11 PolarHBondContact O-OG1 3.38Å; T8-T11 VanDerWaalsContact C-OG1 3.31Å; T8-T11 WeakPolarHBondContact CA-OG1 3.2Å; T8-T11 PolarHBondContact O-OG1 2.93Å; V9-T11 VanDerWaalsContact C-N 3.31Å; V9-T11 PolarHBondContact O-N 3.05Å; T11-L14 CarbonylContact O-C 3.54Å; T11-R15 WeakPolarHBondContact O-CA 3.42Å; T11-R15 WeakPolarHBondContact O-CB 3.48Å; T11-R15 WeakPolarHBondContact O-CG 3.42Å; T11-R15 PolarHBondContact O-N 3.45Å; T11-L20 HydrophobicContact CG2-CB 4.39Å; T11-L20 HydrophobicContact CG2-CD2 3.71Å; T11-L24 HydrophobicContact CG2-CD1 4.18Å
12K47.8Very low44.1Very low128 Ų12880.8 Ų80.856%0.55738%0.383SS*.Hα-helixtrans-69.3-38.9170.1-96.3-170.5176.6-178.60111.8T8 V9 R15T8-K12 WeakPolarHBondContact O-CA 3.22Å; T8-K12 WeakPolarHBondContact O-CB 3.39Å; T8-K12 WeakPolarHBondContact O-CG 3.35Å; T8-K12 PolarHBondContact O-N 2.79Å; V9-K12 CarbonylContact O-C 3.5Å; V9-K12 WeakPolarHBondContact O-CA 3.48Å; V9-K12 WeakPolarHBondContact O-CB 3.29Å; V9-K12 PolarHBondContact O-N 3.49Å; K12-R15 VanDerWaalsContact CE-NH1 3.34Å; K12-R15 VanDerWaalsContact CG-NH1 3.26Å; K12-R15 WeakPolarHBondContact O-CB 3.37Å; K12-R15 PolarHBondContact O-N 2.96Å
13Y48.9Very low44Very low30 Ų3080 Ų8012%0.11838%0.375CS..Hα-helixtrans-69.2-44.9177175.9-107.9000110.2V9 G10 R15 F624 E629 I632 V678V9-Y13 VanDerWaalsContact O-CB 3.28Å; V9-Y13 WeakPolarHBondContact O-CB 3.23Å; V9-Y13 PolarHBondContact O-N 3.36Å; G10-Y13 PolarHBondContact O-N 3.48Å; Y13-R15 PolarHBondContact O-N 3.3Å; Y13-F624 HydrophobicContact CE1-CE1 4.47Å; Y13-F624 HydrophobicContact CE2-CD1 4.17Å; Y13-F624 AromaticContact CE2-CE1 3.63Å; Y13-F624 HydrophobicContact CE2-CE1 3.63Å; Y13-F624 AromaticContact CZ-CD1 3.92Å; Y13-F624 AromaticContact CZ-CE1 3.4Å; Y13-F624 WeakPolarHBondContact OH-CD1 3.3Å; Y13-F624 WeakPolarHBondContact OH-CE1 3.23Å; Y13-E629 VanDerWaalsContact CZ-OE2 3.24Å; Y13-E629 PolarHBondContact OH-OE2 2.92Å; Y13-I632 HydrophobicContact CD2-CD1 4.38Å; Y13-I632 HydrophobicContact CE2-CD1 3.86Å; Y13-V678 HydrophobicContact CD1-CG1 3.61Å; Y13-V678 HydrophobicContact CD2-CG1 3.21Å; Y13-V678 HydrophobicContact CE1-CG1 3.83Å; Y13-V678 HydrophobicContact CE2-CG1 3.46Å; Y13-V678 VanDerWaalsContact CE2-CG1 3.46Å; Y13-V678 HydrophobicContact CG-CG1 3.28Å
14L51.2Low43.8Very low5 Ų578.1 Ų78.13%0.02637%0.372CS..THydrogen-bonded Turntrans-78.85.5172-62.5169.7000113.5G10 T11 R16 L17 L20 W464 L685G10-L14 WeakPolarHBondContact O-CB 3.49Å; G10-L14 VanDerWaalsContact O-CG 3.26Å; G10-L14 WeakPolarHBondContact O-CG 3.48Å; G10-L14 PolarHBondContact O-N 3.1Å; T11-L14 CarbonylContact O-C 3.54Å; L14-R16 PolarHBondContact O-N 3.07Å; L14-L17 HydrophobicContact CB-CD1 4.12Å; L14-L17 HydrophobicContact CD2-CD1 3.95Å; L14-L17 WeakPolarHBondContact O-CA 3.15Å; L14-L17 WeakPolarHBondContact O-CB 3.46Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-L20 HydrophobicContact CB-CD1 4.14Å; L14-W464 HydrophobicContact CD1-CZ2 4.32Å; L14-L685 HydrophobicContact CD1-CD1 3.3Å
15R43Very low43.6Very low138 Ų13879.4 Ų79.452%0.52138%0.379SS..THydrogen-bonded Turntrans-74.50.9-166.8-131172.1-113-166-6.4114.9T11 K12 Y13T11-R15 WeakPolarHBondContact O-CA 3.42Å; T11-R15 WeakPolarHBondContact O-CB 3.48Å; T11-R15 WeakPolarHBondContact O-CG 3.42Å; T11-R15 PolarHBondContact O-N 3.45Å; K12-R15 VanDerWaalsContact CE-NH1 3.34Å; K12-R15 VanDerWaalsContact CG-NH1 3.26Å; K12-R15 WeakPolarHBondContact O-CB 3.37Å; K12-R15 PolarHBondContact O-N 2.96Å; Y13-R15 PolarHBondContact O-N 3.3Å
16R45.6Very low43Very low236 Ų23684.6 Ų84.689%0.89140%0.398SS*.THydrogen-bonded Turntrans-75.3-3158.7-74.6-172.6173.6-178.80.1112.8L14L14-R16 PolarHBondContact O-N 3.07Å
17L41.6Very low42.9Very low64 Ų6490.3 Ų90.334%0.33542%0.424SS..SBendtrans-107.9111.7177.1-62.9151000110L14 R19 W464L14-L17 HydrophobicContact CB-CD1 4.12Å; L14-L17 HydrophobicContact CD2-CD1 3.95Å; L14-L17 WeakPolarHBondContact O-CA 3.15Å; L14-L17 WeakPolarHBondContact O-CB 3.46Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-R19 PolarHBondContact O-N 2.88Å; L17-W464 VanDerWaalsContact CD1-NE1 3.35Å
18H38.1Very low42.5Very low187 Ų18793.8 Ų93.887%0.86645%0.449SS*.THydrogen-bonded Turntrans-73.94.8-151.4-133.2-71.7000118.3
19R40.7Very low41.8Very low176 Ų176102.9 Ų102.966%0.66448%0.478SS*.THydrogen-bonded Turntrans-154.445.3-169.6-64.4-168.3179.3-178.60.8117.9L17L17-R19 PolarHBondContact O-N 2.88Å
20L37.9Very low41.2Very low15 Ų15105.7 Ų105.78%0.07950%0.497CS..  trans-77.1-18.3176.9-107.8115.1000120.3T11 L14 V22 W464 L685T11-L20 HydrophobicContact CG2-CB 4.39Å; T11-L20 HydrophobicContact CG2-CD2 3.71Å; L14-L20 HydrophobicContact CB-CD1 4.14Å; L20-V22 PolarHBondContact O-N 2.9Å; L20-W464 HydrophobicContact CD1-CH2 3.35Å; L20-W464 HydrophobicContact CD1-CZ2 3.38Å; L20-W464 HydrophobicContact CD1-CZ3 3.96Å; L20-W464 HydrophobicContact CD2-CH2 3.59Å; L20-W464 HydrophobicContact CD2-CZ2 4.31Å; L20-W464 HydrophobicContact CD2-CZ3 4.25Å; L20-W464 HydrophobicContact CG-CH2 3.35Å; L20-W464 HydrophobicContact CG-CZ2 3.96Å; L20-W464 HydrophobicContact CG-CZ3 3.69Å; L20-L685 HydrophobicContact CD2-CD1 4.37Å
21P38.8Very low40.4Very low102 Ų102112.8 Ų112.866%0.66253%0.528SS*.THydrogen-bonded Turntrans-64.4-12.2-166.4-25.433.6000117.7
22V44.2Very low39.6Very low76 Ų76119.2 Ų119.246%0.46156%0.561SS.*THydrogen-bonded Turntrans-95.3-15.7-166.8-165.30000114.3L20 F457L20-V22 PolarHBondContact O-N 2.9Å; V22-F457 HydrophobicContact CB-CE1 4.12Å; V22-F457 HydrophobicContact CB-CZ 4.18Å; V22-F457 HydrophobicContact CG1-CE1 3.42Å; V22-F457 VanDerWaalsContact CG1-CE1 3.42Å; V22-F457 HydrophobicContact CG1-CZ 3.63Å; V22-F457 HydrophobicContact CG2-CZ 4.27Å
23I40.1Very low38.6Very low65 Ų65120.9 Ų120.933%0.33358%0.575SS.*SBendtrans-81.9-17.2-178.1-66.3153.8000112.5L25 L462 W464I23-L25 PolarHBondContact O-N 3.31Å; I23-L462 HydrophobicContact CD1-CD2 3.36Å; I23-L462 HydrophobicContact CD1-CG 4.25Å; I23-L462 HydrophobicContact CG1-CD2 3.81Å; I23-L462 HydrophobicContact CG2-CD2 4.28Å; I23-W464 HydrophobicContact CD1-CZ3 3.84Å
24L38.1Very low37.6Very low65 Ų65123.2 Ų123.234%0.3459%0.594SS.*G310 helixtrans-88.2-4.6-163.5-71.6161.8000115.5I7 T11 K26I7-L24 HydrophobicContact CD1-CD2 3.95Å; I7-L24 HydrophobicContact CG1-CD2 4.2Å; I7-L24 HydrophobicContact CG2-CD1 3.4Å; I7-L24 HydrophobicContact CG2-CD2 3.58Å; I7-L24 HydrophobicContact CG2-CG 4.1Å; T11-L24 HydrophobicContact CG2-CD1 4.18Å; L24-K26 VanDerWaalsContact C-N 3.35Å; L24-K26 PolarHBondContact O-N 2.85Å
25L40Very low36.4Very low153 Ų153134.8 Ų134.880%0.80164%0.637SS**G310 helixtrans-83.56.2-172.9-81.9159.8000115.5I23I23-L25 PolarHBondContact O-N 3.31Å
26K36.1Very low35.6Very low176 Ų176137.7 Ų137.777%0.76565%0.649SS**G310 helixtrans-14339.3-175.3-71.9-167.7176179.60117.2L24L24-K26 VanDerWaalsContact C-N 3.35Å; L24-K26 PolarHBondContact O-N 2.85Å
27Q35.5Very low34.6Very low135 Ų135131.9 Ų131.963%0.63165%0.645SS**  trans-107.6138.6173.6-71-74.5-45.500112.8
28P36Very low33.8Very low117 Ų117135.1 Ų135.176%0.7667%0.667SS**PPolyproline II helixtrans-72.7157.1-178.2-6.923.6000113.3
29R34.1Very low33.3Very low238 Ų238131.3 Ų131.390%0.89866%0.659SS**PPolyproline II helixtrans-47.2156.8-171.1-72.9-177.8-175.2176.52117.2
30P35.2Very low32.6Very low91 Ų91130 Ų13059%0.59166%0.655SS**PPolyproline II helixtrans-67.3138.9-167.226.4-35.4000114.9L32P30-L32 PolarHBondContact O-N 3.03Å
31F30Very low32.1Very low151 Ų151133.6 Ų133.666%0.66268%0.679SS**PPolyproline II helixtrans-72.4118.4168.9-116-95.3000110.6F127F31-F127 HydrophobicContact CE1-CD1 4.25Å; F31-F127 HydrophobicContact CE1-CE1 4.37Å; F31-F127 AromaticContact CE2-CD1 3.4Å; F31-F127 HydrophobicContact CE2-CD1 3.4Å; F31-F127 VanDerWaalsContact CE2-CD1 3.4Å; F31-F127 AromaticContact CE2-CE1 3.74Å; F31-F127 HydrophobicContact CE2-CE1 3.74Å; F31-F127 HydrophobicContact CE2-CG 4.41Å; F31-F127 HydrophobicContact CZ-CB 4.25Å; F31-F127 AromaticContact CZ-CD1 3.22Å; F31-F127 HydrophobicContact CZ-CD1 3.22Å; F31-F127 AromaticContact CZ-CE1 3.65Å; F31-F127 HydrophobicContact CZ-CE1 3.65Å; F31-F127 AromaticContact CZ-CG 3.87Å; F31-F127 HydrophobicContact CZ-CG 3.87Å
32L29.2Very low31.5Very low156 Ų156140.7 Ų140.782%0.81769%0.692SS**PPolyproline II helixtrans-95.2117.6160.3-100.2147.9000107P30 P34P30-L32 PolarHBondContact O-N 3.03Å; L32-P34 WeakPolarHBondContact O-CD 2.98Å
33L26.2Very low31Very low162 Ų162142.8 Ų142.885%0.84870%0.7SS**PPolyproline II helixtrans-65.9116.2169.1-93.8156.4000109
34P27.6Very low30.7Very low79 Ų79144.2 Ų144.251%0.51372%0.716SS.*PPolyproline II helixtrans-86.3119.1172.1-0.521.4000108.8L32 Y36L32-P34 WeakPolarHBondContact O-CD 2.98Å; P34-Y36 HydrophobicContact CB-CD2 3.42Å; P34-Y36 VanDerWaalsContact CB-CD2 3.42Å; P34-Y36 HydrophobicContact CB-CE2 3.25Å; P34-Y36 HydrophobicContact CG-CD2 4.46Å; P34-Y36 HydrophobicContact CG-CE2 4.3Å; P34-Y36 PolarHBondContact O-N 3.32Å
35R25.8Very low30.4Very low249 Ų249145.8 Ų145.894%0.9473%0.732SS**  trans-68.1106.2162.6-75.1-178.1175.2177.4-2107.9
36Y26.5Very low30.3Very low199 Ų199143.9 Ų143.978%0.7872%0.723SS**  trans-129.4118.8168.1-72.5-64.6000111.6P34P34-Y36 HydrophobicContact CB-CD2 3.42Å; P34-Y36 VanDerWaalsContact CB-CD2 3.42Å; P34-Y36 HydrophobicContact CB-CE2 3.25Å; P34-Y36 HydrophobicContact CG-CD2 4.46Å; P34-Y36 HydrophobicContact CG-CE2 4.3Å; P34-Y36 PolarHBondContact O-N 3.32Å
37S24.7Very low30.4Very low114 Ų114138.4 Ų138.480%0.79770%0.699SS**  trans-72.7122.2160.655.80000109.1P39S37-P39 WeakPolarHBondContact O-CD 3.28Å
38V26.1Very low30.5Very low131 Ų131134.7 Ų134.779%0.79470%0.697SS**  trans-90114.5168.8-177.20000107.9
39P27.2Very low30.7Very low108 Ų108138.6 Ų138.670%0.70170%0.697SS**PPolyproline II helixtrans-71.3135.9174.127.6-30.2000110.2S37S37-P39 WeakPolarHBondContact O-CD 3.28Å
40Y25.5Very low30.8Very low149 Ų149130 Ų13058%0.58467%0.668SS**PPolyproline II helixtrans-58.7133171.1-83.7-86.3000110.7R42 H493 H495Y40-R42 PolarHBondContact O-N 2.96Å; Y40-H493 PolarHBondContact OH-ND1 2.87Å; Y40-H495 AromaticContact CD1-CE1 4Å; Y40-H495 AromaticContact CD1-NE2 3.45Å; Y40-H495 WeakPolarHBondContact CD1-NE2 3.33Å; Y40-H495 AromaticContact CE1-NE2 3.28Å; Y40-H495 VanDerWaalsContact CE1-NE2 3.28Å; Y40-H495 WeakPolarHBondContact CE1-NE2 3.38Å
41P28.3Very low30.9Very low89 Ų89129.8 Ų129.858%0.57867%0.665SS**PPolyproline II helixtrans-70.4121.2169.628.6-31.4000109.6I43P41-I43 PolarHBondContact O-N 2.88Å
42R26.3Very low31.4Very low251 Ų251130.5 Ų130.595%0.94767%0.668SS**  trans-67.4112.2166.7-70-179.5-179.3178.60.2108.4Y40Y40-R42 PolarHBondContact O-N 2.96Å
43I32Very low31.8Very low121 Ų121128.4 Ų128.462%0.62165%0.65SS**  trans-118.4106.5168.7-57178.5000108.4P41 H497P41-I43 PolarHBondContact O-N 2.88Å; I43-H497 PolarHBondContact O-CE1 3.34Å; I43-H497 VanDerWaalsContact O-CE1 3.23Å
44S34.8Very low32.6Very low94 Ų94124.2 Ų124.266%0.65763%0.628SS**  trans-73.5136.617448.90000112
45S31.7Very low33.3Very low98 Ų98123.3 Ų123.369%0.68563%0.633SS**  trans17.299154.461.60000118.9
46N37.3Very low34.1Very low113 Ų113117.7 Ų117.760%0.60462%0.622SS**  trans-140.76.3160.4-93.5-35.7000114.8R49N46-R49 PolarHBondContact O-N 3.01Å
47F38Very low34.9Very low61 Ų61110.8 Ų110.827%0.26860%0.597SS.*Hα-helixtrans-73-34.3-173.6-103-87.3000114.9R49 L50 S82 H497 I499F47-R49 PolarHBondContact O-N 3.33Å; F47-R49 VanDerWaalsContact O-N 3.13Å; F47-L50 PolarHBondContact O-N 3.42Å; F47-S82 VanDerWaalsContact CZ-CB 3.41Å; F47-H497 HydrophobicContact CD2-CB 4.38Å; F47-H497 HydrophobicContact CE2-CB 4.2Å; F47-I499 HydrophobicContact CB-CB 4.41Å; F47-I499 HydrophobicContact CB-CD1 3.58Å; F47-I499 HydrophobicContact CB-CG1 3.45Å; F47-I499 VanDerWaalsContact CB-CG1 3.45Å; F47-I499 HydrophobicContact CB-CG2 4.04Å; F47-I499 HydrophobicContact CD1-CD1 3.15Å; F47-I499 HydrophobicContact CD1-CG1 4.01Å; F47-I499 HydrophobicContact CD2-CD1 3.37Å; F47-I499 HydrophobicContact CD2-CG1 4Å; F47-I499 HydrophobicContact CE1-CD1 3.37Å; F47-I499 HydrophobicContact CE2-CD1 3.59Å; F47-I499 HydrophobicContact CG-CD1 3.08Å; F47-I499 HydrophobicContact CG-CG1 3.6Å; F47-I499 HydrophobicContact CZ-CD1 3.55Å
48G38.8Very low35.9Very low58 Ų58109.5 Ų109.560%0.59859%0.588SS**Hα-helixtrans-62.9-20.5177.600000114.5
49R40.3Very low37Very low199 Ų199109.3 Ų109.375%0.75158%0.578SS**Hα-helixtrans-80-24.3174-73.2-176.4-176.5178.61.6112.8N46 F47 Y53N46-R49 PolarHBondContact O-N 3.01Å; F47-R49 PolarHBondContact O-N 3.33Å; F47-R49 VanDerWaalsContact O-N 3.13Å; R49-Y53 VanDerWaalsContact O-CB 3.23Å; R49-Y53 WeakPolarHBondContact O-CB 3.15Å; R49-Y53 PolarHBondContact O-N 3.41Å
50L36.4Very low37.5Very low56 Ų56105.7 Ų105.729%0.29356%0.557SS.*Hα-helixtrans-78.4-40.5-177.1-163.972.1000111.4F47 K52 Y53 I54F47-L50 PolarHBondContact O-N 3.42Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.74Å; L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 3.49Å; L50-Y53 VanDerWaalsContact O-N 3.08Å; L50-I54 HydrophobicContact CD2-CD1 4.37Å; L50-I54 HydrophobicContact CG-CD1 3.98Å; L50-I54 HydrophobicContact CG-CG1 4.47Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.06Å; L50-I54 PolarHBondContact O-N 3.44Å
51T37Very low38.2Very low87 Ų87103.5 Ų103.553%0.53456%0.555SS.*Hα-helixtrans-60.9-43.4176.2-33.50000111.4Y53 I54 G55T51-Y53 VanDerWaalsContact C-N 3.28Å; T51-Y53 PolarHBondContact O-N 2.87Å; T51-I54 PolarHBondContact O-N 2.78Å; T51-G55 PolarHBondContact O-N 2.72Å
52K40.6Very low39.2Very low166 Ų166100.7 Ų100.772%0.72254%0.538SS*.Hα-helixtrans-68.7-24.8175.2-147.6174.7-172.2177.50113.3L50L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.74Å
53Y37.7Very low40.1Very low113 Ų11390.4 Ų90.444%0.44350%0.502SS..Hα-helixtrans-84.2-32.2178.5-167.1-87.3000112.5R49 L50 T51 H57R49-Y53 VanDerWaalsContact O-CB 3.23Å; R49-Y53 WeakPolarHBondContact O-CB 3.15Å; R49-Y53 PolarHBondContact O-N 3.41Å; L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 3.49Å; L50-Y53 VanDerWaalsContact O-N 3.08Å; T51-Y53 VanDerWaalsContact C-N 3.28Å; T51-Y53 PolarHBondContact O-N 2.87Å; Y53-H57 AromaticContact CE1-NE2 3.93Å
54I41.8Very low40.7Very low73 Ų7387.7 Ų87.737%0.37449%0.49SS..Hα-helixtrans-71.7-37.1175.8-67.7166.2000110.7L50 T51 N56 L63L50-I54 HydrophobicContact CD2-CD1 4.37Å; L50-I54 HydrophobicContact CG-CD1 3.98Å; L50-I54 HydrophobicContact CG-CG1 4.47Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.06Å; L50-I54 PolarHBondContact O-N 3.44Å; T51-I54 PolarHBondContact O-N 2.78Å; I54-N56 PolarHBondContact O-N 2.76Å; I54-L63 HydrophobicContact CG1-CD1 4.48Å; I54-L63 HydrophobicContact CG2-CD1 4.35Å
55G42Very low41.3Very low61 Ų6190.8 Ų90.863%0.62949%0.488SS*.THydrogen-bonded Turntrans-66.1-15.9177.900000115.7T51T51-G55 PolarHBondContact O-N 2.72Å
56N42.6Very low42.2Very low131 Ų13186.8 Ų86.870%0.70146%0.461SS*.THydrogen-bonded Turntrans-90.12.1-176.5-76.5-5.9000114.3I54I54-N56 PolarHBondContact O-N 2.76Å
57H44.3Very low42.7Very low54 Ų5482.9 Ų82.925%0.2544%0.441CS..  trans-110.170.5-172.8-83.3-63.5000113.9Y53 Q59 S62 Y203Y53-H57 AromaticContact CE1-NE2 3.93Å; H57-Q59 PolarHBondContact O-N 3.07Å; H57-S62 WeakPolarHBondContact CB-OG 3.28Å; H57-S62 PolarHBondContact ND1-OG 3.48Å; H57-Y203 PolarHBondContact O-OH 3.36Å; H57-Y203 VanDerWaalsContact O-OH 3.12Å
58S45.9Very low43.1Very low87 Ų8786 Ų8661%0.60845%0.452SS*.  39.8-54.2116.3141.90000122.1Y203S58-Y203 WeakPolarHBondContact CA-OH 3.21Å; S58-Y203 PolarHBondContact N-OH 3.5Å; S58-Y203 VanDerWaalsContact O-CE2 3.28Å; S58-Y203 WeakPolarHBondContact O-CE2 3.2Å; S58-Y203 PolarHBondContact O-OH 3.27Å
59Q47.9Very low43.7Very low127 Ų12791 Ų9159%0.59345%0.453SS*.SBendtrans-151.1134.2-178.2-64.2-177.7-900110H57 N61 S62 L63 Y203H57-Q59 PolarHBondContact O-N 3.07Å; Q59-N61 PolarHBondContact O-N 2.98Å; Q59-N61 VanDerWaalsContact O-N 3.11Å; Q59-S62 WeakPolarHBondContact O-CA 3.19Å; Q59-S62 WeakPolarHBondContact O-CB 3.48Å; Q59-S62 PolarHBondContact O-N 3.25Å; Q59-S62 PolarHBondContact O-OG 2.81Å; Q59-L63 PolarHBondContact O-N 3.06Å; Q59-Y203 WeakPolarHBondContact CA-OH 3.36Å; Q59-Y203 PolarHBondContact N-OH 2.82Å
60A38.9Very low44.1Very low31 Ų3186.5 Ų86.526%0.25644%0.438SS..Hα-helixtrans-51.7-35.6177.400000113.1S62 L63 V64A60-S62 VanDerWaalsContact C-N 3.27Å; A60-S62 PolarHBondContact O-N 3.34Å; A60-L63 PolarHBondContact O-N 3Å; A60-L63 VanDerWaalsContact O-N 3.14Å; A60-V64 WeakPolarHBondContact O-CG2 3.26Å; A60-V64 PolarHBondContact O-N 3.04Å
61N39.5Very low44.6Very low103 Ų10384.1 Ų84.155%0.55143%0.426SS*.Hα-helixtrans-59.7-34.9174.7-73.4-28.3000113.2Q59 R65Q59-N61 PolarHBondContact O-N 2.98Å; Q59-N61 VanDerWaalsContact O-N 3.11Å; N61-R65 WeakPolarHBondContact O-CB 3.44Å; N61-R65 WeakPolarHBondContact O-CG 3.33Å; N61-R65 PolarHBondContact O-N 3.37Å
62S50.3Low45.1Very low31 Ų3184.8 Ų84.822%0.21743%0.425CS..Hα-helixtrans-74.6-35.2176.6770000111.5H57 Q59 A60 A66H57-S62 WeakPolarHBondContact CB-OG 3.28Å; H57-S62 PolarHBondContact ND1-OG 3.48Å; Q59-S62 WeakPolarHBondContact O-CA 3.19Å; Q59-S62 WeakPolarHBondContact O-CB 3.48Å; Q59-S62 PolarHBondContact O-N 3.25Å; Q59-S62 PolarHBondContact O-OG 2.81Å; A60-S62 VanDerWaalsContact C-N 3.27Å; A60-S62 PolarHBondContact O-N 3.34Å; S62-A66 WeakPolarHBondContact O-CB 3.48Å; S62-A66 PolarHBondContact O-N 3.27Å
63L45.1Very low45.6Very low35 Ų3581.1 Ų81.118%0.18342%0.42CS..Hα-helixtrans-70.3-47.1177.6-17268.7000111.8I54 Q59 A60 R65 A66 V67 F90I54-L63 HydrophobicContact CG1-CD1 4.48Å; I54-L63 HydrophobicContact CG2-CD1 4.35Å; Q59-L63 PolarHBondContact O-N 3.06Å; A60-L63 PolarHBondContact O-N 3Å; A60-L63 VanDerWaalsContact O-N 3.14Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 2.95Å; L63-A66 PolarHBondContact O-N 3.36Å; L63-V67 HydrophobicContact CD1-CG2 4.18Å; L63-V67 HydrophobicContact CG-CG2 4.27Å; L63-V67 VanDerWaalsContact O-CB 3.31Å; L63-V67 WeakPolarHBondContact O-CB 3.14Å; L63-V67 VanDerWaalsContact O-CG2 3.25Å; L63-V67 WeakPolarHBondContact O-CG2 3.1Å; L63-V67 PolarHBondContact O-N 2.91Å; L63-F90 HydrophobicContact CD2-CD2 4.39Å; L63-F90 HydrophobicContact CD2-CE2 4.16Å
64V43.8Very low46Very low63 Ų6377.5 Ų77.538%0.38241%0.412SS..Hα-helixtrans-54.7-51.2173.6179.10000109.9A60 A66 Y68 F90A60-V64 WeakPolarHBondContact O-CG2 3.26Å; A60-V64 PolarHBondContact O-N 3.04Å; V64-A66 VanDerWaalsContact C-N 3.35Å; V64-A66 PolarHBondContact O-N 3.15Å; V64-Y68 WeakPolarHBondContact O-CB 3.47Å; V64-Y68 PolarHBondContact O-N 2.72Å; V64-F90 HydrophobicContact CB-CE1 4.45Å; V64-F90 HydrophobicContact CB-CZ 4.34Å; V64-F90 HydrophobicContact CG2-CE1 3.54Å; V64-F90 HydrophobicContact CG2-CE2 4.26Å; V64-F90 HydrophobicContact CG2-CZ 3.19Å
65R48.6Very low45.9Very low159 Ų15979.8 Ų79.860%0.643%0.434SS*.Hα-helixtrans-67.4-33.4-179.5-73.8178179.6150.6-0.5112.4N61 L63 R69N61-R65 WeakPolarHBondContact O-CB 3.44Å; N61-R65 WeakPolarHBondContact O-CG 3.33Å; N61-R65 PolarHBondContact O-N 3.37Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 2.95Å; R65-R69 VanDerWaalsContact O-CB 3.24Å; R65-R69 WeakPolarHBondContact O-CB 3.44Å; R65-R69 VanDerWaalsContact O-CG 3.25Å; R65-R69 WeakPolarHBondContact O-CG 3.14Å; R65-R69 PolarHBondContact O-N 3.48Å; R65-R69 PolarHBondContact O-NE 2.96Å
66A49.3Very low45.9Very low15 Ų1581.2 Ų81.212%0.12443%0.431CS..Hα-helixtrans-72.6-46.2177.500000111.5S62 L63 V64 R69 K70S62-A66 WeakPolarHBondContact O-CB 3.48Å; S62-A66 PolarHBondContact O-N 3.27Å; L63-A66 PolarHBondContact O-N 3.36Å; V64-A66 VanDerWaalsContact C-N 3.35Å; V64-A66 PolarHBondContact O-N 3.15Å; A66-R69 PolarHBondContact O-N 3.36Å; A66-K70 VanDerWaalsContact O-CB 3.3Å; A66-K70 WeakPolarHBondContact O-CB 3.47Å; A66-K70 PolarHBondContact O-N 3.33Å
67V49Very low46.1Very low30 Ų3083.5 Ų83.518%0.18244%0.437CS..Hα-helixtrans-61-47173.7171.80000109.5L63 K70 I71L63-V67 HydrophobicContact CD1-CG2 4.18Å; L63-V67 HydrophobicContact CG-CG2 4.27Å; L63-V67 VanDerWaalsContact O-CB 3.31Å; L63-V67 WeakPolarHBondContact O-CB 3.14Å; L63-V67 VanDerWaalsContact O-CG2 3.25Å; L63-V67 WeakPolarHBondContact O-CG2 3.1Å; L63-V67 PolarHBondContact O-N 2.91Å; V67-K70 PolarHBondContact O-N 3.2Å; V67-I71 HydrophobicContact CG1-CD1 3.46Å; V67-I71 VanDerWaalsContact CG1-CD1 3.46Å; V67-I71 HydrophobicContact CG1-CG1 4.2Å; V67-I71 VanDerWaalsContact O-CB 3.25Å; V67-I71 WeakPolarHBondContact O-CB 3.22Å; V67-I71 WeakPolarHBondContact O-CG1 2.73Å; V67-I71 PolarHBondContact O-N 3.48Å
68Y45.3Very low46.1Very low126 Ų12687.1 Ų87.149%0.49445%0.454SS..Hα-helixtrans-57-50.1173.6-179.2-100.6000112.5V64 K70 I71 I72V64-Y68 WeakPolarHBondContact O-CB 3.47Å; V64-Y68 PolarHBondContact O-N 2.72Å; Y68-K70 VanDerWaalsContact C-N 3.31Å; Y68-K70 PolarHBondContact O-N 2.63Å; Y68-I71 PolarHBondContact O-N 3.44Å; Y68-I72 HydrophobicContact CD1-CD1 3.61Å; Y68-I72 HydrophobicContact CD2-CD1 3.82Å; Y68-I72 HydrophobicContact CE1-CD1 3.19Å; Y68-I72 HydrophobicContact CE2-CD1 3.44Å; Y68-I72 VanDerWaalsContact CE2-CD1 3.44Å; Y68-I72 HydrophobicContact CG-CD1 3.9Å; Y68-I72 VanDerWaalsContact O-CG1 3.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.04Å; Y68-I72 PolarHBondContact O-N 3.35Å; Y68-I72 WeakPolarHBondContact OH-CD1 2.92Å
69R52.4Low46.3Very low165 Ų16586 Ų8662%0.62344%0.437SS*.Hα-helixtrans-59.9-40.7177.1-82.4-174.7-81.8-141.74.6112.1R65 A66 I72 S73R65-R69 VanDerWaalsContact O-CB 3.24Å; R65-R69 WeakPolarHBondContact O-CB 3.44Å; R65-R69 VanDerWaalsContact O-CG 3.25Å; R65-R69 WeakPolarHBondContact O-CG 3.14Å; R65-R69 PolarHBondContact O-N 3.48Å; R65-R69 PolarHBondContact O-NE 2.96Å; A66-R69 PolarHBondContact O-N 3.36Å; R69-I72 PolarHBondContact O-N 2.84Å; R69-S73 VanDerWaalsContact O-CB 3.3Å; R69-S73 WeakPolarHBondContact O-CB 3.31Å; R69-S73 PolarHBondContact O-N 3.43Å; R69-S73 PolarHBondContact O-OG 3.15Å; R69-S73 VanDerWaalsContact O-OG 3.13Å
70K48.5Very low46.3Very low103 Ų10383 Ų8345%0.44843%0.428SS..Hα-helixtrans-73.9-32.5-179.5-149155.2-176.2174.30112.8A66 V67 Y68 S73 S74A66-K70 VanDerWaalsContact O-CB 3.3Å; A66-K70 WeakPolarHBondContact O-CB 3.47Å; A66-K70 PolarHBondContact O-N 3.33Å; V67-K70 PolarHBondContact O-N 3.2Å; Y68-K70 VanDerWaalsContact C-N 3.31Å; Y68-K70 PolarHBondContact O-N 2.63Å; K70-S73 WeakPolarHBondContact CA-OG 3.18Å; K70-S73 PolarHBondContact O-OG 2.86Å; K70-S74 PolarHBondContact O-N 3.16Å
71I45.5Very low46.7Very low6 Ų685.9 Ų85.93%0.03144%0.439CS..Hα-helixtrans-70.2-32.4174.1-75.6173.7000112V67 Y68 S74 R79 L83 I114V67-I71 HydrophobicContact CG1-CD1 3.46Å; V67-I71 VanDerWaalsContact CG1-CD1 3.46Å; V67-I71 HydrophobicContact CG1-CG1 4.2Å; V67-I71 VanDerWaalsContact O-CB 3.25Å; V67-I71 WeakPolarHBondContact O-CB 3.22Å; V67-I71 WeakPolarHBondContact O-CG1 2.73Å; V67-I71 PolarHBondContact O-N 3.48Å; Y68-I71 PolarHBondContact O-N 3.44Å; I71-S74 PolarHBondContact O-OG 3.33Å; I71-R79 PolarHBondContact O-NH2 2.91Å; I71-L83 HydrophobicContact CD1-CD2 4.47Å; I71-L83 HydrophobicContact CG1-CD2 3.91Å; I71-I114 HydrophobicContact CD1-CG2 4.3Å; I71-I114 HydrophobicContact CG2-CG2 4.21Å
72I47.7Very low47.1Very low101 Ų10182.5 Ų82.552%0.51842%0.424SS..Hα-helixtrans-85.5-32.1178.8-65.4170000111.3Y68 R69 S74Y68-I72 HydrophobicContact CD1-CD1 3.61Å; Y68-I72 HydrophobicContact CD2-CD1 3.82Å; Y68-I72 HydrophobicContact CE1-CD1 3.19Å; Y68-I72 HydrophobicContact CE2-CD1 3.44Å; Y68-I72 VanDerWaalsContact CE2-CD1 3.44Å; Y68-I72 HydrophobicContact CG-CD1 3.9Å; Y68-I72 VanDerWaalsContact O-CG1 3.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.04Å; Y68-I72 PolarHBondContact O-N 3.35Å; Y68-I72 WeakPolarHBondContact OH-CD1 2.92Å; R69-I72 PolarHBondContact O-N 2.84Å; I72-S74 VanDerWaalsContact C-N 3.33Å; I72-S74 PolarHBondContact O-N 3.46Å
73S50.8Low46.9Very low89 Ų8983.2 Ų83.262%0.62243%0.425SS*.Hα-helixtrans-78.1-11.9177.470.60000114.1R69 K70 S75R69-S73 VanDerWaalsContact O-CB 3.3Å; R69-S73 WeakPolarHBondContact O-CB 3.31Å; R69-S73 PolarHBondContact O-N 3.43Å; R69-S73 PolarHBondContact O-OG 3.15Å; R69-S73 VanDerWaalsContact O-OG 3.13Å; K70-S73 WeakPolarHBondContact CA-OG 3.18Å; K70-S73 PolarHBondContact O-OG 2.86Å; S73-S75 PolarHBondContact O-N 3.36Å
74S46.1Very low47.1Very low38 Ų3883.4 Ų83.427%0.26643%0.426SS..  trans-81100.9175.976.70000110.7K70 I71 I72 T76K70-S74 PolarHBondContact O-N 3.16Å; I71-S74 PolarHBondContact O-OG 3.33Å; I72-S74 VanDerWaalsContact C-N 3.33Å; I72-S74 PolarHBondContact O-N 3.46Å; S74-T76 PolarHBondContact O-N 3.35Å
75S41.2Very low47.4Very low121 Ų12185.4 Ų85.485%0.84643%0.427SS*.  trans-7911.4178.951.20000114.6S73S73-S75 PolarHBondContact O-N 3.36Å
76T42.2Very low47.4Very low90 Ų9080.2 Ų80.255%0.55241%0.413SS*.  trans-90.1127.5-177.155.30000111.9S74 Q78S74-T76 PolarHBondContact O-N 3.35Å; T76-Q78 PolarHBondContact O-N 2.99Å
77Q45.5Very low47.4Very low180 Ų18080.5 Ų80.584%0.84141%0.411SS*.SBendtrans-63.5-4.4-174.5-86.4179.2-20.800116.1
78Q44.8Very low47.6Very low129 Ų12980.3 Ų80.360%0.60341%0.407SS*.SBendtrans-124.5118.4167.9-81.1179.2-23.600108.6T76T76-Q78 PolarHBondContact O-N 2.99Å
79R50Low47.9Very low63 Ų6376 Ų7624%0.23840%0.4CS..  trans-76125.2168.6-74.4-173.7173.7164.60.1107.6I71 N81 I114I71-R79 PolarHBondContact O-NH2 2.91Å; R79-N81 PolarHBondContact O-N 3.44Å; R79-I114 PolarHBondContact NH1-O 3.1Å
80P48.3Very low47.8Very low64 Ų6469.9 Ų69.942%0.41638%0.378SS..  trans-61.5138.4176.624.9-33.3000109.5S82 L83P80-S82 WeakPolarHBondContact CB-OG 3.34Å; P80-S82 PolarHBondContact O-N 3.49Å; P80-L83 HydrophobicContact CG-CB 4.5Å; P80-L83 HydrophobicContact CG-CD1 3.97Å; P80-L83 HydrophobicContact CG-CG 4.4Å; P80-L83 PolarHBondContact O-N 2.93Å
81N47.8Very low47.8Very low92 Ų9265.2 Ų65.249%0.49236%0.359SS..Hα-helixtrans-48.5-25.3176.4-76.1-22.7000112.7R79 L84 R85R79-N81 PolarHBondContact O-N 3.44Å; N81-L84 PolarHBondContact O-N 3.29Å; N81-R85 WeakPolarHBondContact O-CB 3.41Å; N81-R85 PolarHBondContact O-N 3.43Å
82S47.1Very low48Very low33 Ų3365 Ų6523%0.23136%0.358CS..Hα-helixtrans-60.3-39.3173.160.10000114.2F47 P80 R85 V86F47-S82 VanDerWaalsContact CZ-CB 3.41Å; P80-S82 WeakPolarHBondContact CB-OG 3.34Å; P80-S82 PolarHBondContact O-N 3.49Å; S82-R85 WeakPolarHBondContact O-CB 3.45Å; S82-R85 PolarHBondContact O-N 2.94Å; S82-V86 VanDerWaalsContact O-CG2 3.31Å; S82-V86 WeakPolarHBondContact O-CG2 3.23Å; S82-V86 PolarHBondContact O-N 2.74Å
83L46.4Very low48.1Very low46 Ų4660.8 Ų60.824%0.24134%0.338CS..Hα-helixtrans-70.9-38.6177-92164.2000111.5I71 P80 R85 Y87I71-L83 HydrophobicContact CD1-CD2 4.47Å; I71-L83 HydrophobicContact CG1-CD2 3.91Å; P80-L83 HydrophobicContact CG-CB 4.5Å; P80-L83 HydrophobicContact CG-CD1 3.97Å; P80-L83 HydrophobicContact CG-CG 4.4Å; P80-L83 PolarHBondContact O-N 2.93Å; L83-R85 VanDerWaalsContact C-N 3.29Å; L83-Y87 WeakPolarHBondContact O-CB 3.36Å; L83-Y87 PolarHBondContact O-N 3.44Å
84L48.9Very low47.8Very low39 Ų3959.4 Ų59.420%0.20433%0.326CS..Hα-helixtrans-61.9-38.4169.6-101.3128.5000111.2N81 Y87 R88N81-L84 PolarHBondContact O-N 3.29Å; L84-Y87 PolarHBondContact O-N 3.28Å; L84-R88 VanDerWaalsContact O-CB 3.3Å; L84-R88 WeakPolarHBondContact O-CB 3.34Å; L84-R88 WeakPolarHBondContact O-CG 3.4Å; L84-R88 PolarHBondContact O-N 3.5Å
85R50.7Low47.9Very low105 Ų10561.9 Ų61.940%0.39633%0.333SS..Hα-helixtrans-67.9-47.1177.6-138-179.4-66.7-168.3-3.3112.4N81 S82 L83 Y87 R88 G89 H496N81-R85 WeakPolarHBondContact O-CB 3.41Å; N81-R85 PolarHBondContact O-N 3.43Å; S82-R85 WeakPolarHBondContact O-CB 3.45Å; S82-R85 PolarHBondContact O-N 2.94Å; L83-R85 VanDerWaalsContact C-N 3.29Å; R85-Y87 VanDerWaalsContact C-N 3.29Å; R85-Y87 PolarHBondContact O-N 3.32Å; R85-R88 PolarHBondContact O-N 3.05Å; R85-G89 PolarHBondContact O-N 3.4Å; R85-H496 PolarHBondContact NH1-CE1 2.96Å
86V49Very low48.4Very low49 Ų4957.2 Ų57.230%0.29730%0.299SS..Hα-helixtrans-60.1-43174.5170.10000110.3S82 G89 F90S82-V86 VanDerWaalsContact O-CG2 3.31Å; S82-V86 WeakPolarHBondContact O-CG2 3.23Å; S82-V86 PolarHBondContact O-N 2.74Å; V86-G89 PolarHBondContact O-N 3.27Å; V86-F90 WeakPolarHBondContact O-CB 3.46Å; V86-F90 PolarHBondContact O-N 2.94Å
87Y49Very low48.8Very low21 Ų2154 Ų548%0.08228%0.276CS..Hα-helixtrans-65.2-43.9176.5177.3-90.5000112.5L83 L84 R85 F90 A91 I111 I114 C115L83-Y87 WeakPolarHBondContact O-CB 3.36Å; L83-Y87 PolarHBondContact O-N 3.44Å; L84-Y87 PolarHBondContact O-N 3.28Å; R85-Y87 VanDerWaalsContact C-N 3.29Å; R85-Y87 PolarHBondContact O-N 3.32Å; Y87-F90 CarbonylContact O-C 3.47Å; Y87-F90 WeakPolarHBondContact O-CB 3.5Å; Y87-F90 PolarHBondContact O-N 3.03Å; Y87-F90 VanDerWaalsContact O-N 3.12Å; Y87-A91 HydrophobicContact CE1-CB 4.29Å; Y87-A91 WeakPolarHBondContact O-CB 3.28Å; Y87-A91 PolarHBondContact O-N 2.95Å; Y87-I111 HydrophobicContact CE1-CG2 4.49Å; Y87-I111 WeakPolarHBondContact OH-CA 3.4Å; Y87-I111 WeakPolarHBondContact OH-CB 3.18Å; Y87-I111 WeakPolarHBondContact OH-CG1 3.43Å; Y87-I111 WeakPolarHBondContact OH-CG2 3.24Å; Y87-I111 PolarHBondContact OH-O 3.06Å; Y87-I114 HydrophobicContact CD2-CG2 4.17Å; Y87-I114 HydrophobicContact CE2-CD1 4.45Å; Y87-I114 HydrophobicContact CE2-CG2 4.27Å; Y87-C115 WeakPolarHBondContact CE1-SG 3.41Å
88R52Low49.3Very low26 Ų2649.9 Ų49.910%0.09826%0.257CS..Hα-helixtrans-60.8-45.3175.4-78.8173.7-179.3164.63.6110.7L84 R85 F90 A91 G92 H217 E225L84-R88 VanDerWaalsContact O-CB 3.3Å; L84-R88 WeakPolarHBondContact O-CB 3.34Å; L84-R88 WeakPolarHBondContact O-CG 3.4Å; L84-R88 PolarHBondContact O-N 3.5Å; R85-R88 PolarHBondContact O-N 3.05Å; R88-F90 VanDerWaalsContact C-N 3.28Å; R88-F90 PolarHBondContact O-N 3.02Å; R88-A91 PolarHBondContact O-N 3.36Å; R88-G92 PolarHBondContact O-N 2.82Å; R88-H217 PolarHBondContact O-CE1 2.93Å; R88-H217 PolarHBondContact O-NE2 2.6Å; R88-E225 IonicContact CZ-OE1 3.74Å; R88-E225 IonicContact NH1-OE1 2.71Å; R88-E225 PolarHBondContact NH1-OE1 2.83Å; R88-E225 IonicContact NH2-OE1 2.64Å
89G52.3Low49.7Very low35 Ų3548.9 Ų48.936%0.36125%0.248SC..Hα-helixtrans-60.4-36.3172.300000113.1R85 V86 G92 S93R85-G89 PolarHBondContact O-N 3.4Å; V86-G89 PolarHBondContact O-N 3.27Å; G89-G92 CarbonylContact O-C 3.51Å; G89-G92 PolarHBondContact O-N 3.49Å; G89-S93 PolarHBondContact O-N 3.09Å; G89-S93 VanDerWaalsContact O-N 3.07Å
90F50.2Low50.2Low37 Ų3745.9 Ų45.916%0.16224%0.237CC..Hα-helixtrans-71.1-42.4176.5-168.2-103000112.6L63 V64 V86 Y87 R88 G92 S93 L96L63-F90 HydrophobicContact CD2-CD2 4.39Å; L63-F90 HydrophobicContact CD2-CE2 4.16Å; V64-F90 HydrophobicContact CB-CE1 4.45Å; V64-F90 HydrophobicContact CB-CZ 4.34Å; V64-F90 HydrophobicContact CG2-CE1 3.54Å; V64-F90 HydrophobicContact CG2-CE2 4.26Å; V64-F90 HydrophobicContact CG2-CZ 3.19Å; V86-F90 WeakPolarHBondContact O-CB 3.46Å; V86-F90 PolarHBondContact O-N 2.94Å; Y87-F90 CarbonylContact O-C 3.47Å; Y87-F90 WeakPolarHBondContact O-CB 3.5Å; Y87-F90 PolarHBondContact O-N 3.03Å; Y87-F90 VanDerWaalsContact O-N 3.12Å; R88-F90 VanDerWaalsContact C-N 3.28Å; R88-F90 PolarHBondContact O-N 3.02Å; F90-G92 PolarHBondContact O-N 2.96Å; F90-S93 WeakPolarHBondContact O-CB 3.03Å; F90-S93 PolarHBondContact O-N 3.15Å; F90-S93 PolarHBondContact O-OG 3.33Å; F90-L96 HydrophobicContact CD1-CD1 3.32Å; F90-L96 HydrophobicContact CE1-CD1 3.16Å; F90-L96 HydrophobicContact CE1-CG 4.41Å; F90-L96 HydrophobicContact CG-CD1 4.2Å; F90-L96 HydrophobicContact CZ-CD1 3.92Å; F90-L96 WeakPolarHBondContact O-CD1 3.34Å
91A49.4Very low50.6Low5 Ų544.4 Ų44.44%0.04123%0.228CC..Hα-helixtrans-62-30.6170.800000112.6Y87 R88 S93 Y302Y87-A91 HydrophobicContact CE1-CB 4.29Å; Y87-A91 WeakPolarHBondContact O-CB 3.28Å; Y87-A91 PolarHBondContact O-N 2.95Å; R88-A91 PolarHBondContact O-N 3.36Å; A91-S93 VanDerWaalsContact C-N 3.33Å; A91-Y302 PolarHBondContact O-OH 3.25Å
92G48.1Very low51.1Low2 Ų246.4 Ų46.42%0.02124%0.239CC..THydrogen-bonded Turntrans-82.9-2.4171.400000114.7R88 G89 F90R88-G92 PolarHBondContact O-N 2.82Å; G89-G92 CarbonylContact O-C 3.51Å; G89-G92 PolarHBondContact O-N 3.49Å; F90-G92 PolarHBondContact O-N 2.96Å
93S50.5Low51.9Low13 Ų1350.2 Ų50.29%0.09125%0.248CC..SBendtrans-68.6140.4-178.271.40000111.3G89 F90 A91 Q95 L96 R97G89-S93 PolarHBondContact O-N 3.09Å; G89-S93 VanDerWaalsContact O-N 3.07Å; F90-S93 WeakPolarHBondContact O-CB 3.03Å; F90-S93 PolarHBondContact O-N 3.15Å; F90-S93 PolarHBondContact O-OG 3.33Å; A91-S93 VanDerWaalsContact C-N 3.33Å; S93-Q95 PolarHBondContact O-N 3.17Å; S93-L96 PolarHBondContact O-N 3.19Å; S93-L96 PolarHBondContact OG-N 2.78Å; S93-R97 PolarHBondContact O-N 3.48Å; S93-R97 VanDerWaalsContact O-N 3.13Å
94V44.4Very low52.7Low59 Ų5955.5 Ų55.536%0.35827%0.271SS..Hα-helixtrans-52.2-29.9174.7176.50000111.5R97 H98V94-R97 WeakPolarHBondContact O-CB 3.38Å; V94-R97 PolarHBondContact O-N 3.3Å; V94-H98 VanDerWaalsContact CG1-CE1 3.49Å; V94-H98 WeakPolarHBondContact CG1-CE1 3.25Å; V94-H98 WeakPolarHBondContact CG1-ND1 3.44Å; V94-H98 PolarHBondContact O-N 3.1Å; V94-H98 PolarHBondContact O-ND1 3.31Å
95Q48.1Very low53.5Low91 Ų9159.6 Ų59.643%0.42529%0.293SS..Hα-helixtrans-71-41.6177.4-74.6175.8-16.100113.4S93 R97 H98 Y99S93-Q95 PolarHBondContact O-N 3.17Å; Q95-R97 VanDerWaalsContact C-N 3.3Å; Q95-H98 PolarHBondContact O-N 3.12Å; Q95-Y99 VanDerWaalsContact O-CB 3.27Å; Q95-Y99 WeakPolarHBondContact O-CB 3.16Å; Q95-Y99 PolarHBondContact O-N 2.85Å
96L52.1Low54.2Low23 Ų2357.4 Ų57.412%0.1229%0.285CS..Hα-helixtrans-66.7-36.4174.2-119.4139000110.9F90 S93 Y99 V100 I111F90-L96 HydrophobicContact CD1-CD1 3.32Å; F90-L96 HydrophobicContact CE1-CD1 3.16Å; F90-L96 HydrophobicContact CE1-CG 4.41Å; F90-L96 HydrophobicContact CG-CD1 4.2Å; F90-L96 HydrophobicContact CZ-CD1 3.92Å; F90-L96 WeakPolarHBondContact O-CD1 3.34Å; S93-L96 PolarHBondContact O-N 3.19Å; S93-L96 PolarHBondContact OG-N 2.78Å; L96-Y99 PolarHBondContact O-N 3.19Å; L96-V100 HydrophobicContact CD2-CG2 3.93Å; L96-V100 WeakPolarHBondContact O-CB 3.42Å; L96-V100 VanDerWaalsContact O-CG2 3.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.18Å; L96-V100 PolarHBondContact O-N 3.22Å; L96-I111 HydrophobicContact CD2-CD1 3.97Å
97R51.2Low55.1Low22 Ų2258.3 Ų58.38%0.08329%0.294CS..Hα-helixtrans-56.4-58171.4-175.9-163.2-73.9-112.74.6111.6S93 V94 Q95 Y99 V100 S101 P301 Y302S93-R97 PolarHBondContact O-N 3.48Å; S93-R97 VanDerWaalsContact O-N 3.13Å; V94-R97 WeakPolarHBondContact O-CB 3.38Å; V94-R97 PolarHBondContact O-N 3.3Å; Q95-R97 VanDerWaalsContact C-N 3.3Å; R97-Y99 VanDerWaalsContact C-N 3.29Å; R97-Y99 PolarHBondContact O-N 3.35Å; R97-V100 PolarHBondContact O-N 2.89Å; R97-S101 VanDerWaalsContact O-CB 3.31Å; R97-S101 WeakPolarHBondContact O-CB 3.04Å; R97-S101 PolarHBondContact O-N 2.96Å; R97-S101 PolarHBondContact O-OG 2.84Å; R97-P301 HydrophobicContact CG-CG 4.11Å; R97-Y302 HydrophobicContact CB-CE1 4.23Å; R97-Y302 HydrophobicContact CG-CE1 4.35Å
98H54.1Low56Low94 Ų9457.7 Ų57.744%0.43529%0.292SS..Hα-helixtrans-60.1-39.9-179.7-77.280.5000112.3V94 Q95V94-H98 VanDerWaalsContact CG1-CE1 3.49Å; V94-H98 WeakPolarHBondContact CG1-CE1 3.25Å; V94-H98 WeakPolarHBondContact CG1-ND1 3.44Å; V94-H98 PolarHBondContact O-N 3.1Å; V94-H98 PolarHBondContact O-ND1 3.31Å; Q95-H98 PolarHBondContact O-N 3.12Å
99Y53.7Low56.6Low107 Ų10760.6 Ų60.642%0.4231%0.307SS..Hα-helixtrans-66.4-39.1-179.4-173.2-94.2000113.1Q95 L96 R97 R103 Y106Q95-Y99 VanDerWaalsContact O-CB 3.27Å; Q95-Y99 WeakPolarHBondContact O-CB 3.16Å; Q95-Y99 PolarHBondContact O-N 2.85Å; L96-Y99 PolarHBondContact O-N 3.19Å; R97-Y99 VanDerWaalsContact C-N 3.29Å; R97-Y99 PolarHBondContact O-N 3.35Å; Y99-R103 PolarHBondContact OH-NH1 3.38Å; Y99-R103 PolarHBondContact OH-NH2 3.49Å; Y99-Y106 HydrophobicContact CD1-CD2 4.33Å; Y99-Y106 HydrophobicContact CD1-CE2 4.23Å; Y99-Y106 AromaticContact CE1-CD2 3.83Å; Y99-Y106 HydrophobicContact CE1-CD2 3.83Å; Y99-Y106 AromaticContact CE1-CE2 3.73Å; Y99-Y106 HydrophobicContact CE1-CE2 3.73Å
100V60Low56.9Low1 Ų162.1 Ų62.11%0.00631%0.31CS..Hα-helixtrans-88.3-33.1-175.5178.50000112.4L96 R97 N102 R103 Y106 F108L96-V100 HydrophobicContact CD2-CG2 3.93Å; L96-V100 WeakPolarHBondContact O-CB 3.42Å; L96-V100 VanDerWaalsContact O-CG2 3.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.18Å; L96-V100 PolarHBondContact O-N 3.22Å; R97-V100 PolarHBondContact O-N 2.89Å; V100-N102 PolarHBondContact O-N 2.81Å; V100-R103 PolarHBondContact O-N 3.49Å; V100-Y106 HydrophobicContact CB-CD1 4.5Å; V100-Y106 HydrophobicContact CG1-CD1 3.98Å; V100-Y106 HydrophobicContact CG1-CG 4.38Å; V100-Y106 HydrophobicContact CG2-CD1 3.74Å; V100-Y106 HydrophobicContact CG2-CE1 3.85Å; V100-Y106 HydrophobicContact CG2-CG 4.09Å; V100-F108 HydrophobicContact CG1-CE1 4.31Å; V100-F108 HydrophobicContact CG1-CE2 4.08Å; V100-F108 HydrophobicContact CG1-CZ 3.57Å
101S57.9Low57.3Low32 Ų3260.9 Ų60.922%0.22431%0.305CS..Hα-helixtrans-56.6-38.2174.5-68.50000111.7R97 P301R97-S101 VanDerWaalsContact O-CB 3.31Å; R97-S101 WeakPolarHBondContact O-CB 3.04Å; R97-S101 PolarHBondContact O-N 2.96Å; R97-S101 PolarHBondContact O-OG 2.84Å; S101-P301 VanDerWaalsContact OG-CB 3.3Å; S101-P301 WeakPolarHBondContact OG-CB 3.48Å
102N57.5Low58Low134 Ų13460.9 Ų60.972%0.71730%0.304SS*.THydrogen-bonded Turntrans-88.8-1.3-176.7-66.7-9.3000114.3V100V100-N102 PolarHBondContact O-N 2.81Å
103R63.9Low58.6Low113 Ų11367.7 Ų67.743%0.42633%0.333SS..  trans-123.592.7-178.4-77.9-164.5-179.8-145.92.5110.6Y99 V100 D105 Y106 R245Y99-R103 PolarHBondContact OH-NH1 3.38Å; Y99-R103 PolarHBondContact OH-NH2 3.49Å; V100-R103 PolarHBondContact O-N 3.49Å; R103-D105 WeakPolarHBondContact CB-OD1 3.33Å; R103-D105 PolarHBondContact O-N 3.25Å; R103-Y106 WeakPolarHBondContact O-CB 3.46Å; R103-Y106 PolarHBondContact O-N 3.06Å; R103-R245 PolarHBondContact O-NH2 2.7Å
104H64.8Low58.5Low158 Ų15868.9 Ų68.973%0.73134%0.338SS*.THydrogen-bonded Turntrans-62.6-24.2176.9-62.2-65.4000113.3R245H104-R245 PolarHBondContact O-NH2 2.71Å
105D65.8Low58.6Low125 Ų12567.2 Ų67.267%0.66833%0.329SS*.THydrogen-bonded Turntrans-84.4-4.5178.767.4-33.3000114.2R103 S107R103-D105 WeakPolarHBondContact CB-OD1 3.33Å; R103-D105 PolarHBondContact O-N 3.25Å; D105-S107 PolarHBondContact O-N 3.07Å
106Y64.5Low58.8Low58 Ų5867.8 Ų67.823%0.22733%0.33CS..  trans-65.7122-176.8-171.8-94.5000111.9Y99 V100 R103 F108 I111Y99-Y106 HydrophobicContact CD1-CD2 4.33Å; Y99-Y106 HydrophobicContact CD1-CE2 4.23Å; Y99-Y106 AromaticContact CE1-CD2 3.83Å; Y99-Y106 HydrophobicContact CE1-CD2 3.83Å; Y99-Y106 AromaticContact CE1-CE2 3.73Å; Y99-Y106 HydrophobicContact CE1-CE2 3.73Å; V100-Y106 HydrophobicContact CB-CD1 4.5Å; V100-Y106 HydrophobicContact CG1-CD1 3.98Å; V100-Y106 HydrophobicContact CG1-CG 4.38Å; V100-Y106 HydrophobicContact CG2-CD1 3.74Å; V100-Y106 HydrophobicContact CG2-CE1 3.85Å; V100-Y106 HydrophobicContact CG2-CG 4.09Å; R103-Y106 WeakPolarHBondContact O-CB 3.46Å; R103-Y106 PolarHBondContact O-N 3.06Å; Y106-F108 HydrophobicContact CD1-CD2 4.47Å; Y106-F108 HydrophobicContact CD1-CE2 4.49Å; Y106-F108 HydrophobicContact CE1-CD1 4.47Å; Y106-I111 HydrophobicContact CE1-CD1 3.84Å
107S67.9Low58.6Low69 Ų6971.6 Ų71.648%0.48336%0.356SS..  trans-88125.6174-177.20000111.4D105 H109 P110D105-S107 PolarHBondContact O-N 3.07Å; S107-H109 PolarHBondContact O-N 3.19Å; S107-H109 VanDerWaalsContact OG-CB 3.26Å; S107-H109 WeakPolarHBondContact OG-CB 3.44Å; S107-H109 PolarHBondContact OG-N 2.57Å; S107-P110 VanDerWaalsContact O-CD 3.24Å; S107-P110 WeakPolarHBondContact O-CD 3.28Å
108F67.7Low58.1Low8 Ų878.3 Ų78.34%0.03539%0.386CS..SBendtrans-76.1-0.4169.4-69.5-92000113.2V100 Y106 I111 N112 I243 D244 R245V100-F108 HydrophobicContact CG1-CE1 4.31Å; V100-F108 HydrophobicContact CG1-CE2 4.08Å; V100-F108 HydrophobicContact CG1-CZ 3.57Å; Y106-F108 HydrophobicContact CD1-CD2 4.47Å; Y106-F108 HydrophobicContact CD1-CE2 4.49Å; Y106-F108 HydrophobicContact CE1-CD1 4.47Å; F108-I111 HydrophobicContact CD1-CD1 3.96Å; F108-I111 HydrophobicContact CD1-CG2 4.31Å; F108-I111 HydrophobicContact CE1-CD1 4.5Å; F108-I111 VanDerWaalsContact O-CB 3.26Å; F108-I111 WeakPolarHBondContact O-CB 3.31Å; F108-I111 PolarHBondContact O-N 3.28Å; F108-I111 VanDerWaalsContact O-N 3.15Å; F108-N112 WeakPolarHBondContact O-CB 3.24Å; F108-N112 PolarHBondContact O-N 3.43Å; F108-N112 PolarHBondContact O-ND2 3.33Å; F108-I243 WeakPolarHBondContact CB-O 3.17Å; F108-I243 HydrophobicContact CD1-CG2 3.94Å; F108-I243 HydrophobicContact CE1-CG1 4.49Å; F108-D244 HydrophobicContact CD2-CB 4.48Å; F108-D244 WeakPolarHBondContact CD2-OD1 3.38Å; F108-R245 HydrophobicContact CE2-CG 3.91Å
109H64.2Low57.7Low87 Ų8779.4 Ų79.440%0.40339%0.391SS..Hα-helixtrans-56.6-44.8-178.1-17583.2000114.1S107 I111 N112 K113 S141S107-H109 PolarHBondContact O-N 3.19Å; S107-H109 VanDerWaalsContact OG-CB 3.26Å; S107-H109 WeakPolarHBondContact OG-CB 3.44Å; S107-H109 PolarHBondContact OG-N 2.57Å; H109-I111 VanDerWaalsContact C-N 3.3Å; H109-I111 PolarHBondContact O-N 2.75Å; H109-N112 PolarHBondContact O-N 3.42Å; H109-K113 WeakPolarHBondContact O-CB 3.43Å; H109-K113 PolarHBondContact O-N 3.07Å; H109-S141 PolarHBondContact ND1-OG 2.87Å
110P59.3Low56.9Low67 Ų6780.5 Ų80.544%0.43540%0.4SS..Hα-helixtrans-62.1-40.3177.4-21.134000112.1S107 I114S107-P110 VanDerWaalsContact O-CD 3.24Å; S107-P110 WeakPolarHBondContact O-CD 3.28Å; P110-I114 WeakPolarHBondContact O-CD1 3.37Å; P110-I114 VanDerWaalsContact O-CG1 3.27Å; P110-I114 WeakPolarHBondContact O-CG1 3.34Å; P110-I114 PolarHBondContact O-N 3.24Å
111I58Low55.6Low10 Ų1083.3 Ų83.35%0.05142%0.42CS..Hα-helixtrans-59.1-55.9176.1-76.4-179.2000109.7Y87 L96 Y106 F108 H109 K113 I114 C115 I243Y87-I111 HydrophobicContact CE1-CG2 4.49Å; Y87-I111 WeakPolarHBondContact OH-CA 3.4Å; Y87-I111 WeakPolarHBondContact OH-CB 3.18Å; Y87-I111 WeakPolarHBondContact OH-CG1 3.43Å; Y87-I111 WeakPolarHBondContact OH-CG2 3.24Å; Y87-I111 PolarHBondContact OH-O 3.06Å; L96-I111 HydrophobicContact CD2-CD1 3.97Å; Y106-I111 HydrophobicContact CE1-CD1 3.84Å; F108-I111 HydrophobicContact CD1-CD1 3.96Å; F108-I111 HydrophobicContact CD1-CG2 4.31Å; F108-I111 HydrophobicContact CE1-CD1 4.5Å; F108-I111 VanDerWaalsContact O-CB 3.26Å; F108-I111 WeakPolarHBondContact O-CB 3.31Å; F108-I111 PolarHBondContact O-N 3.28Å; F108-I111 VanDerWaalsContact O-N 3.15Å; H109-I111 VanDerWaalsContact C-N 3.3Å; H109-I111 PolarHBondContact O-N 2.75Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.14Å; I111-I114 WeakPolarHBondContact O-CB 3.45Å; I111-I114 PolarHBondContact O-N 3.34Å; I111-I114 VanDerWaalsContact O-N 3.14Å; I111-C115 PolarHBondContact O-N 2.97Å; I111-C115 PolarHBondContact O-SG 3.45Å; I111-C115 VanDerWaalsContact O-SG 3.42Å; I111-I243 HydrophobicContact CG2-CG2 3.25Å
112N64.5Low54.3Low5 Ų591.2 Ų91.23%0.02745%0.445CS..Hα-helixtrans-65.6-35.9-177.3-68.7-32.6000112F108 H109 I114 C115 K116 S141 F242 I243F108-N112 WeakPolarHBondContact O-CB 3.24Å; F108-N112 PolarHBondContact O-N 3.43Å; F108-N112 PolarHBondContact O-ND2 3.33Å; H109-N112 PolarHBondContact O-N 3.42Å; N112-I114 VanDerWaalsContact C-N 3.28Å; N112-I114 PolarHBondContact O-N 2.73Å; N112-C115 PolarHBondContact O-N 3.46Å; N112-C115 VanDerWaalsContact O-N 3.08Å; N112-K116 PolarHBondContact O-N 2.96Å; N112-S141 PolarHBondContact ND2-O 3.44Å; N112-F242 HydrophobicContact CB-CB 4.29Å; N112-I243 PolarHBondContact ND2-O 3.49Å; N112-I243 WeakPolarHBondContact OD1-CG2 3.49Å; N112-I243 PolarHBondContact OD1-N 2.98Å; N112-I243 PolarHBondContact OD1-O 3.36Å
113K60Low52.9Low145 Ų14590.9 Ų90.963%0.6344%0.437SS*.Hα-helixtrans-64.1-30.6175.4-171.3173.3-175.6172.40112.9H109 I111H109-K113 WeakPolarHBondContact O-CB 3.43Å; H109-K113 PolarHBondContact O-N 3.07Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.14Å
114I48.7Very low51.6Low39 Ų3986.4 Ų86.420%0.242%0.423CS..Hα-helixtrans-73.1-34.2173.4-68164.1000110.6I71 R79 Y87 P110 I111 N112I71-I114 HydrophobicContact CD1-CG2 4.3Å; I71-I114 HydrophobicContact CG2-CG2 4.21Å; R79-I114 PolarHBondContact NH1-O 3.1Å; Y87-I114 HydrophobicContact CD2-CG2 4.17Å; Y87-I114 HydrophobicContact CE2-CD1 4.45Å; Y87-I114 HydrophobicContact CE2-CG2 4.27Å; P110-I114 WeakPolarHBondContact O-CD1 3.37Å; P110-I114 VanDerWaalsContact O-CG1 3.27Å; P110-I114 WeakPolarHBondContact O-CG1 3.34Å; P110-I114 PolarHBondContact O-N 3.24Å; I111-I114 WeakPolarHBondContact O-CB 3.45Å; I111-I114 PolarHBondContact O-N 3.34Å; I111-I114 VanDerWaalsContact O-N 3.14Å; N112-I114 VanDerWaalsContact C-N 3.28Å; N112-I114 PolarHBondContact O-N 2.73Å
115C47.8Very low50.1Low24 Ų2482.9 Ų82.916%0.16242%0.416CS..Hα-helixtrans-78.4-24.9-179-65.50000114.5Y87 I111 N112 P117Y87-C115 WeakPolarHBondContact CE1-SG 3.41Å; I111-C115 PolarHBondContact O-N 2.97Å; I111-C115 PolarHBondContact O-SG 3.45Å; I111-C115 VanDerWaalsContact O-SG 3.42Å; N112-C115 PolarHBondContact O-N 3.46Å; N112-C115 VanDerWaalsContact O-N 3.08Å; C115-P117 WeakPolarHBondContact O-CD 3.35Å; C115-P117 VanDerWaalsContact O-N 3.16Å
116K52.1Low48.5Very low102 Ų10280.9 Ų80.944%0.44341%0.405SS..SBendtrans-57121.3179.9-75.9-168.2178.4-164.50109.9N112 K118N112-K116 PolarHBondContact O-N 2.96Å; K116-K118 PolarHBondContact O-N 3.25Å
117P46.4Very low47.1Very low103 Ų10382.2 Ų82.267%0.66941%0.412SS*.  trans-59.6127.7174.421.7-29.1000108.8C115 H119C115-P117 WeakPolarHBondContact O-CD 3.35Å; C115-P117 VanDerWaalsContact O-N 3.16Å; P117-H119 PolarHBondContact O-N 3.48Å
118K41.2Very low45.5Very low163 Ų16380.3 Ų80.371%0.70940%0.403SS*.  trans-75.530.4178.9-79.2-168.4173.3-173.10113.2K116K116-K118 PolarHBondContact O-N 3.25Å
119H45.4Very low43.9Very low118 Ų11883.4 Ų83.455%0.54642%0.423SS..  trans-107.182.3-177-75.3-64.8000111.2P117P117-H119 PolarHBondContact O-N 3.48Å
120E37.4Very low42.5Very low130 Ų13082.6 Ų82.661%0.60742%0.421SS*.  trans-101.6102.2139.7-73.7-179.5-177.900104.7N137E120-N137 PolarHBondContact OE1-ND2 2.95Å; E120-N137 VanDerWaalsContact OE1-ND2 3.08Å; E120-N137 PolarHBondContact OE1-OD1 2.81Å
121S33.8Very low41.6Very low60 Ų6080.4 Ų80.442%0.4241%0.405SS..  trans-70.1138.9166.786.10000106.6F123 S124S121-F123 PolarHBondContact O-N 3.1Å; S121-F123 WeakPolarHBondContact OG-CA 2.95Å; S121-F123 WeakPolarHBondContact OG-CB 3.08Å; S121-F123 PolarHBondContact OG-N 3.14Å; S121-S124 PolarHBondContact N-OG 2.88Å; S121-S124 PolarHBondContact O-N 3.32Å; S121-S124 PolarHBondContact O-OG 3.24Å; S121-S124 PolarHBondContact OG-N 3.15Å; S121-S124 VanDerWaalsContact OG-N 3.12Å
122W30Very low40.6Very low198 Ų19882.3 Ų82.375%0.7541%0.412SS*.Hα-helixtrans-49.4-26167.5160.438000111.9S125 I126W122-S125 PolarHBondContact O-N 3.1Å; W122-S125 PolarHBondContact O-OG 3.1Å; W122-I126 VanDerWaalsContact CD1-CD1 3.49Å; W122-I126 HydrophobicContact CD2-CD1 4.26Å; W122-I126 VanDerWaalsContact CE2-CD1 3.49Å; W122-I126 HydrophobicContact CG-CD1 4.23Å; W122-I126 HydrophobicContact CZ2-CD1 3.99Å; W122-I126 WeakPolarHBondContact O-CG1 3.44Å; W122-I126 PolarHBondContact O-N 3.36Å
123F28.6Very low39.1Very low126 Ų12687.3 Ų87.355%0.55344%0.435SS*.Hα-helixtrans-62.9-37.5171.5-110.5-98.1000114.3S121 S125 I126 F127S121-F123 PolarHBondContact O-N 3.1Å; S121-F123 WeakPolarHBondContact OG-CA 2.95Å; S121-F123 WeakPolarHBondContact OG-CB 3.08Å; S121-F123 PolarHBondContact OG-N 3.14Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.09Å; F123-I126 PolarHBondContact O-N 2.87Å; F123-F127 AromaticContact CD1-CD2 3.56Å; F123-F127 HydrophobicContact CD1-CD2 3.56Å; F123-F127 AromaticContact CD1-CE2 3.63Å; F123-F127 HydrophobicContact CD1-CE2 3.63Å; F123-F127 AromaticContact CE1-CD2 3.81Å; F123-F127 HydrophobicContact CE1-CD2 3.81Å; F123-F127 AromaticContact CE1-CE2 3.4Å; F123-F127 HydrophobicContact CE1-CE2 3.4Å; F123-F127 HydrophobicContact CE1-CZ 4.44Å; F123-F127 HydrophobicContact CG-CD2 4.41Å; F123-F127 HydrophobicContact CG-CE2 4.5Å; F123-F127 HydrophobicContact CZ-CE2 4.11Å; F123-F127 PolarHBondContact O-N 2.71Å
124S34.9Very low37.9Very low19 Ų1986 Ų8613%0.13343%0.434CS..Hα-helixtrans-68.8-23.8176.753.10000114.1S121 Q133S121-S124 PolarHBondContact N-OG 2.88Å; S121-S124 PolarHBondContact O-N 3.32Å; S121-S124 PolarHBondContact O-OG 3.24Å; S121-S124 PolarHBondContact OG-N 3.15Å; S121-S124 VanDerWaalsContact OG-N 3.12Å; S124-Q133 PolarHBondContact O-NE2 3.45Å
125S33.4Very low37.3Very low84 Ų8485.6 Ų85.659%0.58743%0.432SS*.Hα-helixtrans-81.6-28.3173.267.60000112.8W122 F123W122-S125 PolarHBondContact O-N 3.1Å; W122-S125 PolarHBondContact O-OG 3.1Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.09Å
126I32.4Very low36.7Very low84 Ų8485.2 Ų85.243%0.43143%0.429SS..Hα-helixtrans-79-41.3180-63.9165.2000112.6W122 F123W122-I126 VanDerWaalsContact CD1-CD1 3.49Å; W122-I126 HydrophobicContact CD2-CD1 4.26Å; W122-I126 VanDerWaalsContact CE2-CD1 3.49Å; W122-I126 HydrophobicContact CG-CD1 4.23Å; W122-I126 HydrophobicContact CZ2-CD1 3.99Å; W122-I126 WeakPolarHBondContact O-CG1 3.44Å; W122-I126 PolarHBondContact O-N 3.36Å; F123-I126 PolarHBondContact O-N 2.87Å
127F35.9Very low36.3Very low85 Ų8586.2 Ų86.237%0.37344%0.439SS..SBendtrans-106.110.1-164-71.7-67.4000116.3F31 F123 T129F31-F127 HydrophobicContact CE1-CD1 4.25Å; F31-F127 HydrophobicContact CE1-CE1 4.37Å; F31-F127 AromaticContact CE2-CD1 3.4Å; F31-F127 HydrophobicContact CE2-CD1 3.4Å; F31-F127 VanDerWaalsContact CE2-CD1 3.4Å; F31-F127 AromaticContact CE2-CE1 3.74Å; F31-F127 HydrophobicContact CE2-CE1 3.74Å; F31-F127 HydrophobicContact CE2-CG 4.41Å; F31-F127 HydrophobicContact CZ-CB 4.25Å; F31-F127 AromaticContact CZ-CD1 3.22Å; F31-F127 HydrophobicContact CZ-CD1 3.22Å; F31-F127 AromaticContact CZ-CE1 3.65Å; F31-F127 HydrophobicContact CZ-CE1 3.65Å; F31-F127 AromaticContact CZ-CG 3.87Å; F31-F127 HydrophobicContact CZ-CG 3.87Å; F123-F127 AromaticContact CD1-CD2 3.56Å; F123-F127 HydrophobicContact CD1-CD2 3.56Å; F123-F127 AromaticContact CD1-CE2 3.63Å; F123-F127 HydrophobicContact CD1-CE2 3.63Å; F123-F127 AromaticContact CE1-CD2 3.81Å; F123-F127 HydrophobicContact CE1-CD2 3.81Å; F123-F127 AromaticContact CE1-CE2 3.4Å; F123-F127 HydrophobicContact CE1-CE2 3.4Å; F123-F127 HydrophobicContact CE1-CZ 4.44Å; F123-F127 HydrophobicContact CG-CD2 4.41Å; F123-F127 HydrophobicContact CG-CE2 4.5Å; F123-F127 HydrophobicContact CZ-CE2 4.11Å; F123-F127 PolarHBondContact O-N 2.71Å; F127-T129 HydrophobicContact CB-CG2 4.09Å; F127-T129 PolarHBondContact O-N 3.46Å
128G33.4Very low36.5Very low29 Ų2982 Ų8230%0.29941%0.411SS..  trans68.58.2171.100000115.1N130 Q133G128-N130 PolarHBondContact O-N 3.19Å; G128-Q133 VanDerWaalsContact CA-NE2 3.34Å
129T35.4Very low36.8Very low73 Ų7379.2 Ų79.245%0.44841%0.411SS..  trans-78.7-4.8-168.457.10000113.8F127 K131 N231F127-T129 HydrophobicContact CB-CG2 4.09Å; F127-T129 PolarHBondContact O-N 3.46Å; T129-K131 VanDerWaalsContact C-N 3.3Å; T129-K131 PolarHBondContact O-N 3.2Å; T129-N231 PolarHBondContact O-ND2 3.06Å; T129-N231 VanDerWaalsContact O-ND2 3.1Å
130N34.5Very low37.3Very low70 Ų7074 Ų7437%0.37439%0.388SS..  trans-69.798.4161.4-82.5-6.2000106.4G128 Y132 Q133G128-N130 PolarHBondContact O-N 3.19Å; N130-Y132 CarbonylContact O-C 3.58Å; N130-Y132 PolarHBondContact O-N 2.95Å; N130-Q133 HydrophobicContact CB-CB 4.49Å; N130-Q133 HydrophobicContact CB-CG 3.56Å; N130-Q133 WeakPolarHBondContact O-CG 3.44Å; N130-Q133 PolarHBondContact O-N 3.19Å
131K40.4Very low38.6Very low22 Ų2268.7 Ų68.710%0.09637%0.365CS..THydrogen-bonded Turntrans-51.1-17.3175.4-171.4172.6-130.3129.50113.2T129 N231 P692 N693T129-K131 VanDerWaalsContact C-N 3.3Å; T129-K131 PolarHBondContact O-N 3.2Å; K131-N231 HydrophobicContact CB-CB 4.3Å; K131-N231 PolarHBondContact NZ-O 3.01Å; K131-P692 HydrophobicContact CB-CB 4.48Å; K131-P692 HydrophobicContact CB-CG 3.99Å; K131-P692 HydrophobicContact CD-CB 4.47Å; K131-P692 WeakPolarHBondContact CE-O 3.23Å; K131-P692 HydrophobicContact CG-CB 4.3Å; K131-P692 HydrophobicContact CG-CG 3.83Å; K131-P692 PolarHBondContact NZ-O 2.65Å; K131-N693 VanDerWaalsContact CE-OD1 3.3Å; K131-N693 WeakPolarHBondContact CE-OD1 3.41Å
132Y37.1Very low40.5Very low49 Ų4967.3 Ų67.319%0.19236%0.356CS..THydrogen-bonded Turntrans-125.153.1170.6-52.2-92.8000110.7N130 I134 L135 P237 P309N130-Y132 CarbonylContact O-C 3.58Å; N130-Y132 PolarHBondContact O-N 2.95Å; Y132-I134 PolarHBondContact O-N 2.8Å; Y132-L135 VanDerWaalsContact CB-CB 3.48Å; Y132-L135 HydrophobicContact CD1-CB 4.48Å; Y132-L135 HydrophobicContact CD1-CD1 3.2Å; Y132-L135 HydrophobicContact CD1-CG 3.62Å; Y132-L135 HydrophobicContact CD2-CD1 4.39Å; Y132-L135 HydrophobicContact CE1-CD1 3.94Å; Y132-L135 HydrophobicContact CG-CB 4.28Å; Y132-L135 HydrophobicContact CG-CD1 3.46Å; Y132-L135 VanDerWaalsContact CG-CD1 3.46Å; Y132-L135 HydrophobicContact CG-CG 3.9Å; Y132-L135 CarbonylContact O-C 3.59Å; Y132-L135 PolarHBondContact O-N 3.48Å; Y132-P237 HydrophobicContact CD2-CG 3.95Å; Y132-P237 HydrophobicContact CE2-CB 4.2Å; Y132-P237 HydrophobicContact CE2-CG 3.1Å; Y132-P237 WeakPolarHBondContact OH-CG 3.44Å; Y132-P309 HydrophobicContact CD1-CB 4.4Å; Y132-P309 HydrophobicContact CD1-CG 4.04Å; Y132-P309 HydrophobicContact CE1-CB 3.54Å; Y132-P309 HydrophobicContact CE1-CG 3.26Å; Y132-P309 HydrophobicContact CE2-CG 4.03Å; Y132-P309 WeakPolarHBondContact OH-CG 3.36Å
133Q33.1Very low42.8Very low111 Ų11158.5 Ų58.552%0.51933%0.325SS..THydrogen-bonded Turntrans-58.5-8164.7-86.3-168.7-24.600112.3S124 G128 N130S124-Q133 PolarHBondContact O-NE2 3.45Å; G128-Q133 VanDerWaalsContact CA-NE2 3.34Å; N130-Q133 HydrophobicContact CB-CB 4.49Å; N130-Q133 HydrophobicContact CB-CG 3.56Å; N130-Q133 WeakPolarHBondContact O-CG 3.44Å; N130-Q133 PolarHBondContact O-N 3.19Å
134I34Very low45.2Very low118 Ų11858 Ų5861%0.60533%0.328SS*.THydrogen-bonded Turntrans-102-16169.3-52173.8000112.6Y132 P136Y132-I134 PolarHBondContact O-N 2.8Å; I134-P136 WeakPolarHBondContact O-CD 3.42Å; I134-P136 WeakPolarHBondContact O-CG 3.43Å
135L36.8Very low47.2Very low29 Ų2959.2 Ų59.215%0.15234%0.337CS..SBendtrans-76.1109.7162.4-70.8174.6000105.5Y132 D177 L179 V239 P309Y132-L135 VanDerWaalsContact CB-CB 3.48Å; Y132-L135 HydrophobicContact CD1-CB 4.48Å; Y132-L135 HydrophobicContact CD1-CD1 3.2Å; Y132-L135 HydrophobicContact CD1-CG 3.62Å; Y132-L135 HydrophobicContact CD2-CD1 4.39Å; Y132-L135 HydrophobicContact CE1-CD1 3.94Å; Y132-L135 HydrophobicContact CG-CB 4.28Å; Y132-L135 HydrophobicContact CG-CD1 3.46Å; Y132-L135 VanDerWaalsContact CG-CD1 3.46Å; Y132-L135 HydrophobicContact CG-CG 3.9Å; Y132-L135 CarbonylContact O-C 3.59Å; Y132-L135 PolarHBondContact O-N 3.48Å; L135-D177 HydrophobicContact CD2-CB 4.35Å; L135-L179 HydrophobicContact CD1-CD2 4.24Å; L135-L179 HydrophobicContact CD2-CD2 3.63Å; L135-V239 HydrophobicContact CB-CG1 4.04Å; L135-V239 HydrophobicContact CD1-CB 4.41Å; L135-V239 HydrophobicContact CD1-CG1 4.02Å; L135-V239 HydrophobicContact CD1-CG2 3.43Å; L135-V239 VanDerWaalsContact CD1-CG2 3.43Å; L135-P309 HydrophobicContact CD1-CB 4.35Å; L135-P309 HydrophobicContact CD1-CG 3.98Å
136P34.9Very low49.6Very low17 Ų1755.2 Ų55.211%0.1131%0.309CS..  trans-67171.4-164.6-20.838.3000108.4I134 L138 Q167 Y169 D177I134-P136 WeakPolarHBondContact O-CD 3.42Å; I134-P136 WeakPolarHBondContact O-CG 3.43Å; P136-L138 PolarHBondContact O-N 2.84Å; P136-Q167 HydrophobicContact CB-CG 4.44Å; P136-Q167 HydrophobicContact CG-CG 3.9Å; P136-Q167 VanDerWaalsContact CG-OE1 3.32Å; P136-Y169 WeakPolarHBondContact CG-OH 3.41Å; P136-D177 WeakPolarHBondContact CD-OD2 3.37Å; P136-D177 WeakPolarHBondContact CG-OD2 3.21Å
137N44.6Very low52.2Low122 Ų12253.8 Ų53.865%0.65230%0.302SS*.  trans-56.283.8160.6-90.2-16.9000107.8E120 C139E120-N137 PolarHBondContact OE1-ND2 2.95Å; E120-N137 VanDerWaalsContact OE1-ND2 3.08Å; E120-N137 PolarHBondContact OE1-OD1 2.81Å; N137-C139 VanDerWaalsContact C-N 3.31Å; N137-C139 PolarHBondContact O-N 3.18Å
138L49.2Very low54.8Low16 Ų1650.2 Ų50.28%0.08429%0.288CS..  trans-64.4102.2-172.7-90.4150.6000104.2P136 A140 V165 Q167 L179 V239P136-L138 PolarHBondContact O-N 2.84Å; L138-A140 HydrophobicContact CB-CB 4.48Å; L138-A140 HydrophobicContact CD2-CB 4.48Å; L138-A140 PolarHBondContact O-N 3.28Å; L138-A140 VanDerWaalsContact O-N 3.08Å; L138-V165 HydrophobicContact CD2-CB 3.59Å; L138-V165 HydrophobicContact CD2-CG1 3.37Å; L138-V165 HydrophobicContact CD2-CG2 4.01Å; L138-Q167 VanDerWaalsContact CG-NE2 3.3Å; L138-L179 HydrophobicContact CD1-CD1 3.79Å; L138-L179 HydrophobicContact CD1-CD2 4.37Å; L138-L179 HydrophobicContact CD2-CD1 4Å; L138-V239 HydrophobicContact CD1-CB 4.39Å; L138-V239 HydrophobicContact CD1-CG1 3.33Å
139C48.2Very low57.5Low104 Ų10452.7 Ų52.770%0.70329%0.29SS*.  trans-65.2-4.1174-78.20000111.3N137 S141N137-C139 VanDerWaalsContact C-N 3.31Å; N137-C139 PolarHBondContact O-N 3.18Å; C139-S141 PolarHBondContact O-N 3.06Å; C139-S141 PolarHBondContact O-OG 3.32Å
140A55.7Low60Low8 Ų854.5 Ų54.57%0.06629%0.293CS..  trans-56.287.3169.400000110.8L138 S145 V165 L307L138-A140 HydrophobicContact CB-CB 4.48Å; L138-A140 HydrophobicContact CD2-CB 4.48Å; L138-A140 PolarHBondContact O-N 3.28Å; L138-A140 VanDerWaalsContact O-N 3.08Å; A140-S145 WeakPolarHBondContact CA-OG 3.36Å; A140-S145 WeakPolarHBondContact CB-OG 3.45Å; A140-V165 HydrophobicContact CB-CG1 4.11Å; A140-L307 HydrophobicContact CB-CD1 4.05Å
141S64.5Low62.7Low18 Ų1854.9 Ų54.913%0.12629%0.292CS..  trans-110.210.9173.151.50000110.8H109 N112 C139H109-S141 PolarHBondContact ND1-OG 2.87Å; N112-S141 PolarHBondContact ND2-O 3.44Å; C139-S141 PolarHBondContact O-N 3.06Å; C139-S141 PolarHBondContact O-OG 3.32Å
142S74Confident64.9Low32 Ų3256.5 Ų56.522%0.22430%0.301CS..SBendtrans-154.3147179.5175.60000111.2D144 S145 D244S142-D144 PolarHBondContact O-N 2.93Å; S142-D144 PolarHBondContact OG-N 3.03Å; S142-S145 PolarHBondContact O-N 2.99Å; S142-S145 VanDerWaalsContact O-N 3.16Å; S142-S145 PolarHBondContact O-OG 3.38Å; S142-D244 WeakPolarHBondContact CA-OD2 3.26Å; S142-D244 VanDerWaalsContact CB-OD2 3.29Å; S142-D244 WeakPolarHBondContact CB-OD2 3.3Å; S142-D244 PolarHBondContact OG-OD2 3.08Å
143A78Confident67.3Low12 Ų1256.1 Ų56.110%0.09931%0.308CS..G310 helixtrans-58.4-28.8174.900000112.3S145 I146 F242 D244 Y305A143-S145 PolarHBondContact O-N 3.04Å; A143-I146 WeakPolarHBondContact O-CB 3.21Å; A143-I146 PolarHBondContact O-N 3.48Å; A143-F242 HydrophobicContact CB-CE2 4.39Å; A143-D244 HydrophobicContact CB-CB 4.15Å; A143-D244 PolarHBondContact N-OD2 3.15Å; A143-Y305 HydrophobicContact CB-CE1 4.24Å; A143-Y305 HydrophobicContact CB-CE2 4.2Å
144D78.5Confident69.8Low115 Ų11553.3 Ų53.362%0.61530%0.303SS*.G310 helixtrans-65.2-20.6178.3-70.6-20.5000113.6S142 I146 K285S142-D144 PolarHBondContact O-N 2.93Å; S142-D144 PolarHBondContact OG-N 3.03Å; D144-I146 VanDerWaalsContact C-N 3.32Å; D144-K285 VanDerWaalsContact O-CE 3.24Å; D144-K285 WeakPolarHBondContact O-CE 3.39Å; D144-K285 PolarHBondContact O-NZ 3.31Å
145S77.2Confident71.9Confident46 Ų4649.3 Ų49.332%0.32229%0.291SS..G310 helixtrans-82.8-12.417567.50000113.4A140 S142 A143A140-S145 WeakPolarHBondContact CA-OG 3.36Å; A140-S145 WeakPolarHBondContact CB-OG 3.45Å; S142-S145 PolarHBondContact O-N 2.99Å; S142-S145 VanDerWaalsContact O-N 3.16Å; S142-S145 PolarHBondContact O-OG 3.38Å; A143-S145 PolarHBondContact O-N 3.04Å
146I83.7Confident73.7Confident0 Ų053 Ų530%032%0.319CS..EExtended strand (participates in β ladder)trans-93.8134.4-177.7-58.3-179.6000108.3A143 D144 P148 A163 V165 V181 F242 K285 W287 L307A143-I146 WeakPolarHBondContact O-CB 3.21Å; A143-I146 PolarHBondContact O-N 3.48Å; D144-I146 VanDerWaalsContact C-N 3.32Å; I146-P148 WeakPolarHBondContact O-CD 3.36Å; I146-A163 HydrophobicContact CG2-CB 3.46Å; I146-A163 VanDerWaalsContact CG2-CB 3.46Å; I146-V165 HydrophobicContact CG1-CG2 4.27Å; I146-V181 HydrophobicContact CD1-CG1 4.18Å; I146-V181 HydrophobicContact CD1-CG2 4.33Å; I146-V181 HydrophobicContact CG2-CG2 4.02Å; I146-F242 HydrophobicContact CD1-CE1 3.95Å; I146-F242 HydrophobicContact CD1-CZ 3.59Å; I146-K285 WeakPolarHBondContact O-CD 3.43Å; I146-K285 PolarHBondContact O-NZ 2.95Å; I146-W287 HydrophobicContact CG2-CH2 4.29Å; I146-L307 HydrophobicContact CD1-CD2 3.72Å
147N87.8Confident75.9Confident54 Ų5455.4 Ų55.429%0.28933%0.33SS..EExtended strand (participates in β ladder)trans-106.695.3170-173.133.6000109K149 A163 E164N147-K149 VanDerWaalsContact ND2-CE 3.33Å; N147-K149 WeakPolarHBondContact ND2-CE 3.27Å; N147-K149 PolarHBondContact ND2-NZ 2.95Å; N147-A163 VanDerWaalsContact O-CA 3.32Å; N147-A163 WeakPolarHBondContact O-CA 3.48Å; N147-E164 HydrophobicContact CB-CB 4.27Å; N147-E164 WeakPolarHBondContact CB-O 3.43Å; N147-E164 PolarHBondContact N-O 2.87Å; N147-E164 PolarHBondContact O-N 3.4Å
148P89.4Confident78Confident10 Ų1049.8 Ų49.87%0.06530%0.301CS..EExtended strand (participates in β ladder)trans-59.5143.4177-19.732.3000111.1I146 W287I146-P148 WeakPolarHBondContact O-CD 3.36Å; P148-W287 HydrophobicContact CB-CD2 3.99Å; P148-W287 HydrophobicContact CB-CE3 3.87Å; P148-W287 HydrophobicContact CB-CG 4.42Å; P148-W287 HydrophobicContact CB-CZ3 4.21Å; P148-W287 HydrophobicContact CG-CD2 3.46Å; P148-W287 VanDerWaalsContact CG-CD2 3.46Å; P148-W287 VanDerWaalsContact CG-CE2 3.44Å; P148-W287 HydrophobicContact CG-CE3 3.71Å; P148-W287 HydrophobicContact CG-CG 3.98Å; P148-W287 HydrophobicContact CG-CH2 3.88Å; P148-W287 HydrophobicContact CG-CZ2 3.67Å; P148-W287 HydrophobicContact CG-CZ3 3.92Å
149K89.9Confident80Confident80 Ų8049 Ų4935%0.34830%0.297SS..EExtended strand (participates in β ladder)trans-119.7-124.4177.6-61-65.9-176.6155.80108.5N147 A162 E164 P288N147-K149 VanDerWaalsContact ND2-CE 3.33Å; N147-K149 WeakPolarHBondContact ND2-CE 3.27Å; N147-K149 PolarHBondContact ND2-NZ 2.95Å; K149-A162 HydrophobicContact CB-CB 4.16Å; K149-A162 PolarHBondContact N-O 3.19Å; K149-E164 WeakPolarHBondContact CE-OE1 3.32Å; K149-E164 WeakPolarHBondContact CE-OE2 3.47Å; K149-E164 HydrophobicContact CG-CG 4.41Å; K149-E164 IonicContact NZ-OE1 2.77Å; K149-E164 PolarHBondContact NZ-OE1 3.3Å; K149-E164 IonicContact NZ-OE2 3.79Å; K149-E164 PolarHBondContact NZ-OE2 3.39Å; K149-P288 WeakPolarHBondContact O-CD 3.49Å; K149-P288 WeakPolarHBondContact O-CG 3.48Å
150E89.7Confident82.2Confident111 Ų11145 Ų4552%0.51927%0.269SS..EExtended strand (participates in β ladder)trans-70.5144.3177.258.3-175-163.200112.3W161 A162 R310E150-W161 CarbonylContact O-C 3.57Å; E150-W161 WeakPolarHBondContact O-CA 3.23Å; E150-A162 HydrophobicContact CG-CB 3.53Å; E150-A162 PolarHBondContact O-N 3.39Å; E150-R310 IonicContact OE1-CZ 3.14Å; E150-R310 IonicContact OE1-NH2 2.79Å; E150-R310 PolarHBondContact OE1-NH2 2.66Å
151F89.8Confident84Confident79 Ų7944.7 Ų44.735%0.34627%0.266SS..EExtended strand (participates in β ladder)trans-66.6133.7161.5170.8-100000109.1A153 A154 A159 F293F151-A153 VanDerWaalsContact CE2-C 3.5Å; F151-A153 VanDerWaalsContact CE2-O 3.23Å; F151-A153 WeakPolarHBondContact CE2-O 3.11Å; F151-A153 WeakPolarHBondContact CZ-O 3.43Å; F151-A154 HydrophobicContact CE2-CB 3.97Å; F151-A154 HydrophobicContact CZ-CB 3.62Å; F151-A159 HydrophobicContact CE2-CB 4.13Å; F151-F293 AromaticContact CD2-CE2 3.94Å; F151-F293 HydrophobicContact CD2-CE2 3.94Å; F151-F293 HydrophobicContact CD2-CZ 4.37Å; F151-F293 HydrophobicContact CE1-CZ 4.39Å; F151-F293 AromaticContact CE2-CE2 3.39Å; F151-F293 HydrophobicContact CE2-CE2 3.39Å; F151-F293 AromaticContact CE2-CZ 3.45Å; F151-F293 HydrophobicContact CE2-CZ 3.45Å; F151-F293 VanDerWaalsContact CE2-CZ 3.45Å; F151-F293 AromaticContact CZ-CE2 3.87Å; F151-F293 HydrophobicContact CZ-CE2 3.87Å; F151-F293 AromaticContact CZ-CZ 3.45Å; F151-F293 HydrophobicContact CZ-CZ 3.45Å; F151-F293 VanDerWaalsContact CZ-CZ 3.45Å
152I87.9Confident85.3Confident56 Ų5644.3 Ų44.329%0.28726%0.264SS..EExtended strand (participates in β ladder)trans-103.4-53.4-177.8-62.8173.2000110.5V160 W161 A162 A180 R310I152-V160 HydrophobicContact CB-CB 4.42Å; I152-V160 HydrophobicContact CB-CG1 4.34Å; I152-V160 WeakPolarHBondContact CB-O 3.1Å; I152-V160 HydrophobicContact CD1-CG1 4.25Å; I152-V160 PolarHBondContact N-O 2.95Å; I152-W161 VanDerWaalsContact CD1-C 3.46Å; I152-A162 HydrophobicContact CD1-CB 3.88Å; I152-A162 HydrophobicContact CG1-CB 4.13Å; I152-A180 HydrophobicContact CD1-CB 4.18Å; I152-R310 VanDerWaalsContact CD1-CZ 3.48Å
153A86.4Confident86Confident41 Ų4142.9 Ų42.934%0.33925%0.254SS..EExtended strand (participates in β ladder)trans-161.8156.4-170.700000111.3F151 A159 V160F151-A153 VanDerWaalsContact CE2-C 3.5Å; F151-A153 VanDerWaalsContact CE2-O 3.23Å; F151-A153 WeakPolarHBondContact CE2-O 3.11Å; F151-A153 WeakPolarHBondContact CZ-O 3.43Å; A153-A159 CarbonylContact O-C 3.6Å; A153-V160 PolarHBondContact N-O 3.27Å; A153-V160 PolarHBondContact O-N 3.26Å
154A85.8Confident86.4Confident51 Ų5144.3 Ų44.342%0.42126%0.259SS..EExtended strand (participates in β ladder)trans-131.6144168.100000109.5F151 A159 Y185 F293F151-A154 HydrophobicContact CE2-CB 3.97Å; F151-A154 HydrophobicContact CZ-CB 3.62Å; A154-A159 HydrophobicContact CB-CB 4.47Å; A154-Y185 WeakPolarHBondContact CB-OH 3.27Å; A154-F293 HydrophobicContact CB-CD1 4.35Å; A154-F293 HydrophobicContact CB-CE1 3.43Å; A154-F293 VanDerWaalsContact CB-CE1 3.43Å; A154-F293 HydrophobicContact CB-CZ 3.58Å
155G78.5Confident86.3Confident34 Ų3439 Ų3935%0.35123%0.23SC..  trans-122.2-170.6169.200000110N157 S158 Y185G155-N157 PolarHBondContact O-N 3.31Å; G155-S158 PolarHBondContact N-O 2.85Å; G155-Y185 WeakPolarHBondContact O-CE2 3.3Å
156C74.5Confident85.9Confident108 Ų10845.1 Ų45.173%0.7325%0.247SC*.SBendtrans-68.9-18.2-179.7-58.70000114.3Y187C156-Y187 PolarHBondContact O-OH 3.31Å
157N80Confident84.8Confident66 Ų6645.9 Ų45.935%0.35325%0.25SS..SBendtrans-124.40.1-172.3-66.8-29.2000113.8G155 L184 Y185 Q219G155-N157 PolarHBondContact O-N 3.31Å; N157-L184 WeakPolarHBondContact O-CA 3.21Å; N157-Y185 PolarHBondContact O-N 2.66Å; N157-Q219 HydrophobicContact CB-CG 4.26Å; N157-Q219 PolarHBondContact ND2-OE1 3.22Å
158S89.4Confident83.3Confident4 Ų451.4 Ų51.43%0.02827%0.274CS..EExtended strand (participates in β ladder)trans-169.4159.7-174.460.40000112.8G155 K182 V183 Y185G155-S158 PolarHBondContact N-O 2.85Å; S158-K182 WeakPolarHBondContact OG-CE 3.45Å; S158-V183 CarbonylContact C-O 3.43Å; S158-V183 WeakPolarHBondContact CA-O 3.41Å; S158-V183 WeakPolarHBondContact CB-O 3.21Å; S158-Y185 VanDerWaalsContact N-CE2 3.32Å; S158-Y185 PolarHBondContact O-OH 2.82Å
159A91.8Very high81.7Confident0 Ų054.9 Ų54.90%029%0.287CS..EExtended strand (participates in β ladder)trans-115.7155.316400000110.7F151 A153 A154 W161 K182 V183 Y185 F293 F297F151-A159 HydrophobicContact CE2-CB 4.13Å; A153-A159 CarbonylContact O-C 3.6Å; A154-A159 HydrophobicContact CB-CB 4.47Å; A159-W161 VanDerWaalsContact C-CZ3 3.44Å; A159-W161 HydrophobicContact CB-CE3 4.24Å; A159-W161 HydrophobicContact CB-CH2 3.24Å; A159-W161 HydrophobicContact CB-CZ2 3.94Å; A159-W161 HydrophobicContact CB-CZ3 3.37Å; A159-W161 WeakPolarHBondContact O-CZ3 3.14Å; A159-K182 CarbonylContact O-C 3.43Å; A159-K182 WeakPolarHBondContact O-CA 3.38Å; A159-V183 PolarHBondContact N-O 3.12Å; A159-V183 PolarHBondContact O-N 2.97Å; A159-Y185 HydrophobicContact CB-CE1 3.82Å; A159-F293 HydrophobicContact CB-CD2 4.24Å; A159-F293 HydrophobicContact CB-CE2 4.35Å; A159-F297 HydrophobicContact CB-CE2 4.26Å; A159-F297 HydrophobicContact CB-CZ 4.26Å
160V93.1Very high79.9Confident21 Ų2157 Ų5713%0.12731%0.309CS..EExtended strand (participates in β ladder)trans-127.9130.3-175.1-1700000109.4I152 A153 A180 V181 K182I152-V160 HydrophobicContact CB-CB 4.42Å; I152-V160 HydrophobicContact CB-CG1 4.34Å; I152-V160 WeakPolarHBondContact CB-O 3.1Å; I152-V160 HydrophobicContact CD1-CG1 4.25Å; I152-V160 PolarHBondContact N-O 2.95Å; A153-V160 PolarHBondContact N-O 3.27Å; A153-V160 PolarHBondContact O-N 3.26Å; V160-A180 HydrophobicContact CG1-CB 4.17Å; V160-V181 WeakPolarHBondContact CA-O 3.28Å; V160-K182 HydrophobicContact CG2-CB 4Å; V160-K182 HydrophobicContact CG2-CD 4.34Å; V160-K182 HydrophobicContact CG2-CG 3.94Å
161W93.3Very high78.4Confident0 Ų058 Ų580%032%0.318CS..EExtended strand (participates in β ladder)trans-120.6148.9175.5-67.5-97.6000111E150 I152 A159 A180 V181 V183 W287 P288 F297E150-W161 CarbonylContact O-C 3.57Å; E150-W161 WeakPolarHBondContact O-CA 3.23Å; I152-W161 VanDerWaalsContact CD1-C 3.46Å; A159-W161 VanDerWaalsContact C-CZ3 3.44Å; A159-W161 HydrophobicContact CB-CE3 4.24Å; A159-W161 HydrophobicContact CB-CH2 3.24Å; A159-W161 HydrophobicContact CB-CZ2 3.94Å; A159-W161 HydrophobicContact CB-CZ3 3.37Å; A159-W161 WeakPolarHBondContact O-CZ3 3.14Å; W161-A180 CarbonylContact O-C 3.59Å; W161-A180 WeakPolarHBondContact O-CA 3.42Å; W161-V181 PolarHBondContact N-O 2.84Å; W161-V181 PolarHBondContact O-N 3.47Å; W161-V183 HydrophobicContact CE3-CB 4.43Å; W161-V183 HydrophobicContact CE3-CG2 3.73Å; W161-V183 HydrophobicContact CH2-CG2 4.45Å; W161-V183 HydrophobicContact CZ3-CB 3.68Å; W161-V183 HydrophobicContact CZ3-CG2 3.43Å; W161-V183 VanDerWaalsContact CZ3-CG2 3.43Å; W161-W287 HydrophobicContact CB-CE3 4.42Å; W161-W287 HydrophobicContact CB-CZ3 4.28Å; W161-W287 AromaticContact CD2-CE3 3.61Å; W161-W287 HydrophobicContact CD2-CE3 3.61Å; W161-W287 AromaticContact CD2-CZ3 3.97Å; W161-W287 HydrophobicContact CD2-CZ3 3.97Å; W161-W287 AromaticContact CE2-CE3 3.97Å; W161-W287 AromaticContact CE3-CE3 3.79Å; W161-W287 HydrophobicContact CE3-CE3 3.79Å; W161-W287 AromaticContact CE3-CZ3 3.81Å; W161-W287 HydrophobicContact CE3-CZ3 3.81Å; W161-W287 AromaticContact CG-CE3 3.91Å; W161-W287 HydrophobicContact CG-CE3 3.91Å; W161-W287 HydrophobicContact CG-CZ3 4.2Å; W161-W287 HydrophobicContact CH2-CE3 4.49Å; W161-W287 HydrophobicContact CZ2-CE3 4.4Å; W161-W287 HydrophobicContact CZ3-CE3 4.25Å; W161-W287 HydrophobicContact CZ3-CZ3 4.42Å; W161-P288 PolarHBondContact NE1-O 2.99Å; W161-F297 AromaticContact CH2-CE2 3.68Å; W161-F297 HydrophobicContact CH2-CE2 3.68Å; W161-F297 AromaticContact CH2-CZ 3.8Å; W161-F297 HydrophobicContact CH2-CZ 3.8Å; W161-F297 HydrophobicContact CZ3-CZ 4.28Å
162A92Very high76.7Confident10 Ų1061.7 Ų61.78%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-68.9143158.800000107.5K149 E150 I152 L179K149-A162 HydrophobicContact CB-CB 4.16Å; K149-A162 PolarHBondContact N-O 3.19Å; E150-A162 HydrophobicContact CG-CB 3.53Å; E150-A162 PolarHBondContact O-N 3.39Å; I152-A162 HydrophobicContact CD1-CB 3.88Å; I152-A162 HydrophobicContact CG1-CB 4.13Å; A162-L179 CarbonylContact C-O 3.53Å; A162-L179 WeakPolarHBondContact CA-O 3.1Å
163A90.3Very high74.9Confident2 Ų264.2 Ų64.22%0.01736%0.355CS..EExtended strand (participates in β ladder)trans-145.1158175.300000111.7I146 N147 K178 L179 V181I146-A163 HydrophobicContact CG2-CB 3.46Å; I146-A163 VanDerWaalsContact CG2-CB 3.46Å; N147-A163 VanDerWaalsContact O-CA 3.32Å; N147-A163 WeakPolarHBondContact O-CA 3.48Å; A163-K178 WeakPolarHBondContact O-CA 3.45Å; A163-L179 PolarHBondContact N-O 3.11Å; A163-L179 PolarHBondContact O-N 2.85Å; A163-V181 HydrophobicContact CB-CB 4.48Å; A163-V181 HydrophobicContact CB-CG2 3.48Å; A163-V181 VanDerWaalsContact CB-CG2 3.48Å
164E86.1Confident73.4Confident42 Ų4268.1 Ų68.120%0.19637%0.366CS..EExtended strand (participates in β ladder)trans-110.6133.5169.5-77174.9-171.900109.1N147 K149 I176 D177 K178N147-E164 HydrophobicContact CB-CB 4.27Å; N147-E164 WeakPolarHBondContact CB-O 3.43Å; N147-E164 PolarHBondContact N-O 2.87Å; N147-E164 PolarHBondContact O-N 3.4Å; K149-E164 WeakPolarHBondContact CE-OE1 3.32Å; K149-E164 WeakPolarHBondContact CE-OE2 3.47Å; K149-E164 HydrophobicContact CG-CG 4.41Å; K149-E164 IonicContact NZ-OE1 2.77Å; K149-E164 PolarHBondContact NZ-OE1 3.3Å; K149-E164 IonicContact NZ-OE2 3.79Å; K149-E164 PolarHBondContact NZ-OE2 3.39Å; E164-I176 HydrophobicContact CB-CG2 3.57Å; E164-I176 HydrophobicContact CG-CG2 3.44Å; E164-I176 VanDerWaalsContact CG-CG2 3.44Å; E164-D177 VanDerWaalsContact CA-O 3.31Å; E164-D177 WeakPolarHBondContact CA-O 3.44Å; E164-K178 HydrophobicContact CG-CG 4.47Å
165V75.8Confident71.8Confident3 Ų368 Ų682%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-115.1124.9170-177.50000108.3L138 A140 I146 D177 L179L138-V165 HydrophobicContact CD2-CB 3.59Å; L138-V165 HydrophobicContact CD2-CG1 3.37Å; L138-V165 HydrophobicContact CD2-CG2 4.01Å; A140-V165 HydrophobicContact CB-CG1 4.11Å; I146-V165 HydrophobicContact CG1-CG2 4.27Å; V165-D177 PolarHBondContact N-O 2.84Å; V165-D177 PolarHBondContact O-N 2.91Å; V165-D177 VanDerWaalsContact O-N 3.11Å; V165-L179 HydrophobicContact CB-CD1 4.29Å; V165-L179 HydrophobicContact CG2-CD1 3.64Å
166R68.1Low70.8Confident175 Ų17570.3 Ų70.366%0.6637%0.365SS*.EExtended strand (participates in β ladder)trans-80.2132.5176.6-67.4-172.5-176.6-175.90.8109.8
167Q62.3Low70.5Confident17 Ų1765.8 Ų65.88%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-119.2123-177.7-62.8-97.2-0.800108.8P136 L138 Y169 E174 C175 D177P136-Q167 HydrophobicContact CB-CG 4.44Å; P136-Q167 HydrophobicContact CG-CG 3.9Å; P136-Q167 VanDerWaalsContact CG-OE1 3.32Å; L138-Q167 VanDerWaalsContact CG-NE2 3.3Å; Q167-Y169 HydrophobicContact CB-CD2 4.24Å; Q167-Y169 HydrophobicContact CB-CE2 3.88Å; Q167-E174 WeakPolarHBondContact O-CA 3.16Å; Q167-C175 HydrophobicContact CB-CB 4.4Å; Q167-C175 WeakPolarHBondContact CB-O 3.48Å; Q167-C175 PolarHBondContact N-O 3.15Å; Q167-C175 PolarHBondContact O-N 2.96Å; Q167-D177 VanDerWaalsContact CD-OD2 3.27Å; Q167-D177 WeakPolarHBondContact CG-OD2 3.34Å; Q167-D177 PolarHBondContact NE2-OD2 3.09Å
168Q55.4Low70.6Confident169 Ų16968.8 Ų68.879%0.7934%0.344SS*.EExtended strand (participates in β ladder)trans-93.5110.2165.3-75.8180-2000108.1
169Y55.5Low70.5Confident83 Ų8368.6 Ų68.633%0.32534%0.343SS..  trans-81.1157.8169.4-75-89.2000110.5P136 Q167 N171 D172 N173 C175P136-Y169 WeakPolarHBondContact CG-OH 3.41Å; Q167-Y169 HydrophobicContact CB-CD2 4.24Å; Q167-Y169 HydrophobicContact CB-CE2 3.88Å; Y169-N171 PolarHBondContact O-N 2.62Å; Y169-D172 PolarHBondContact O-N 3.32Å; Y169-N173 WeakPolarHBondContact CD2-O 3.35Å; Y169-C175 HydrophobicContact CD2-CB 4.19Å; Y169-C175 HydrophobicContact CE2-CB 3.51Å
170P52Low70.5Confident125 Ų12569 Ų6981%0.81235%0.346SS*.THydrogen-bonded Turntrans-56.8-13.4177.9-23.933000115.4
171N58.1Low70.4Confident132 Ų13268 Ų6871%0.70634%0.34SS*.THydrogen-bonded Turntrans-107.223.1-175.8-61.2-5.1000113Y169 N173Y169-N171 PolarHBondContact O-N 2.62Å; N171-N173 PolarHBondContact O-N 2.95Å
172D54.6Low70.4Confident156 Ų15668.2 Ų68.283%0.83434%0.341SS*.SBendtrans58.63.9-178.8-71.1-27.3000116.9Y169 E174Y169-D172 PolarHBondContact O-N 3.32Å; D172-E174 PolarHBondContact O-N 2.72Å
173N51.2Low70.4Confident110 Ų11067.8 Ų67.859%0.58834%0.337SS*.  trans-76.6111.1171.2-72.7-17.4000109.8Y169 N171 C175Y169-N173 WeakPolarHBondContact CD2-O 3.35Å; N171-N173 PolarHBondContact O-N 2.95Å; N173-C175 PolarHBondContact O-N 3.27Å
174E53Low70.3Confident122 Ų12267.7 Ų67.757%0.5734%0.336SS*.EExtended strand (participates in β ladder)trans-71.7123.6168.5-72.4-166.9160.500109.8Q167 D172Q167-E174 WeakPolarHBondContact O-CA 3.16Å; D172-E174 PolarHBondContact O-N 2.72Å
175C52.2Low70.2Confident49 Ų4966.4 Ų66.433%0.33133%0.33SS..EExtended strand (participates in β ladder)trans-109.4141.6165-160.10000109.3Q167 Y169 N173Q167-C175 HydrophobicContact CB-CB 4.4Å; Q167-C175 WeakPolarHBondContact CB-O 3.48Å; Q167-C175 PolarHBondContact N-O 3.15Å; Q167-C175 PolarHBondContact O-N 2.96Å; Y169-C175 HydrophobicContact CD2-CB 4.19Å; Y169-C175 HydrophobicContact CE2-CB 3.51Å; N173-C175 PolarHBondContact O-N 3.27Å
176I59.5Low70.4Confident82 Ų8266.3 Ų66.342%0.42133%0.329SS..EExtended strand (participates in β ladder)trans-107.5108.6173.9-60.9177.8000107.1E164E164-I176 HydrophobicContact CB-CG2 3.57Å; E164-I176 HydrophobicContact CG-CG2 3.44Å; E164-I176 VanDerWaalsContact CG-CG2 3.44Å
177D67.7Low70.4Confident13 Ų1363 Ų637%0.0732%0.317CS..EExtended strand (participates in β ladder)trans-83.5128.2173.8-64.6-49.8000110.2L135 P136 E164 V165 Q167 L179L135-D177 HydrophobicContact CD2-CB 4.35Å; P136-D177 WeakPolarHBondContact CD-OD2 3.37Å; P136-D177 WeakPolarHBondContact CG-OD2 3.21Å; E164-D177 VanDerWaalsContact CA-O 3.31Å; E164-D177 WeakPolarHBondContact CA-O 3.44Å; V165-D177 PolarHBondContact N-O 2.84Å; V165-D177 PolarHBondContact O-N 2.91Å; V165-D177 VanDerWaalsContact O-N 3.11Å; Q167-D177 VanDerWaalsContact CD-OD2 3.27Å; Q167-D177 WeakPolarHBondContact CG-OD2 3.34Å; Q167-D177 PolarHBondContact NE2-OD2 3.09Å; D177-L179 HydrophobicContact CB-CG 4.45Å
178K81Confident70.4Confident129 Ų12962.7 Ų62.756%0.56132%0.315SS*.EExtended strand (participates in β ladder)trans-87.5120.7170.5-65-176179.8-177.10109.7A163 E164A163-K178 WeakPolarHBondContact O-CA 3.45Å; E164-K178 HydrophobicContact CG-CG 4.47Å
179L87.4Confident70.1Confident1 Ų158.3 Ų58.31%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-125.4163.9-177-63.3175.6000111L135 L138 A162 A163 V165 D177 M308L135-L179 HydrophobicContact CD1-CD2 4.24Å; L135-L179 HydrophobicContact CD2-CD2 3.63Å; L138-L179 HydrophobicContact CD1-CD1 3.79Å; L138-L179 HydrophobicContact CD1-CD2 4.37Å; L138-L179 HydrophobicContact CD2-CD1 4Å; A162-L179 CarbonylContact C-O 3.53Å; A162-L179 WeakPolarHBondContact CA-O 3.1Å; A163-L179 PolarHBondContact N-O 3.11Å; A163-L179 PolarHBondContact O-N 2.85Å; V165-L179 HydrophobicContact CB-CD1 4.29Å; V165-L179 HydrophobicContact CG2-CD1 3.64Å; D177-L179 HydrophobicContact CB-CG 4.45Å; L179-M308 WeakPolarHBondContact CA-O 3.39Å; L179-M308 WeakPolarHBondContact CD2-O 3.2Å
180A91.2Very high69.8Low8 Ų856.7 Ų56.77%0.06631%0.305CS..EExtended strand (participates in β ladder)trans-103.1132.1158.600000108.6I152 V160 W161 M308I152-A180 HydrophobicContact CD1-CB 4.18Å; V160-A180 HydrophobicContact CG1-CB 4.17Å; W161-A180 CarbonylContact O-C 3.59Å; W161-A180 WeakPolarHBondContact O-CA 3.42Å; A180-M308 HydrophobicContact CB-CB 4.4Å; A180-M308 PolarHBondContact N-O 2.78Å; A180-M308 PolarHBondContact O-N 3.4Å
181V92.3Very high69.5Low0 Ų054.3 Ų54.30%029%0.292CS..EExtended strand (participates in β ladder)trans-117110-179.5-175.80000108.4I146 V160 W161 A163 V183 W287 Y305 M306 L307I146-V181 HydrophobicContact CD1-CG1 4.18Å; I146-V181 HydrophobicContact CD1-CG2 4.33Å; I146-V181 HydrophobicContact CG2-CG2 4.02Å; V160-V181 WeakPolarHBondContact CA-O 3.28Å; W161-V181 PolarHBondContact N-O 2.84Å; W161-V181 PolarHBondContact O-N 3.47Å; A163-V181 HydrophobicContact CB-CB 4.48Å; A163-V181 HydrophobicContact CB-CG2 3.48Å; A163-V181 VanDerWaalsContact CB-CG2 3.48Å; V181-V183 HydrophobicContact CG1-CG2 4.16Å; V181-W287 HydrophobicContact CG1-CH2 4.07Å; V181-W287 HydrophobicContact CG1-CZ3 4.33Å; V181-Y305 HydrophobicContact CG1-CD1 3.89Å; V181-M306 CarbonylContact C-O 3.53Å; V181-M306 WeakPolarHBondContact CA-O 3.33Å; V181-L307 HydrophobicContact CB-CD2 4.43Å; V181-L307 HydrophobicContact CG1-CD2 4.11Å; V181-L307 HydrophobicContact CG2-CD2 3.7Å
182K92.6Very high68.6Low5 Ų553.3 Ų53.32%0.02230%0.295CS..EExtended strand (participates in β ladder)trans-91.9120174.7-178.4171.6-173.5-174.60108.6S158 A159 V160 E223 M306 M308 D483S158-K182 WeakPolarHBondContact OG-CE 3.45Å; A159-K182 CarbonylContact O-C 3.43Å; A159-K182 WeakPolarHBondContact O-CA 3.38Å; V160-K182 HydrophobicContact CG2-CB 4Å; V160-K182 HydrophobicContact CG2-CD 4.34Å; V160-K182 HydrophobicContact CG2-CG 3.94Å; K182-E223 WeakPolarHBondContact CE-OE1 3.42Å; K182-E223 VanDerWaalsContact NZ-CD 3.34Å; K182-E223 IonicContact NZ-OE1 2.7Å; K182-E223 PolarHBondContact NZ-OE1 3.02Å; K182-E223 IonicContact NZ-OE2 3.3Å; K182-E223 PolarHBondContact NZ-OE2 3.31Å; K182-M306 HydrophobicContact CB-CB 4.3Å; K182-M306 HydrophobicContact CB-CE 3.97Å; K182-M306 HydrophobicContact CD-CE 3.49Å; K182-M306 VanDerWaalsContact CD-CE 3.49Å; K182-M306 HydrophobicContact CG-CE 3.53Å; K182-M306 PolarHBondContact N-O 3.23Å; K182-M306 PolarHBondContact O-N 3.47Å; K182-M308 HydrophobicContact CB-CE 3.51Å; K182-M308 HydrophobicContact CD-CE 4.22Å; K182-M308 HydrophobicContact CG-CE 4.49Å; K182-D483 VanDerWaalsContact NZ-CG 3.26Å; K182-D483 IonicContact NZ-OD1 3.88Å; K182-D483 PolarHBondContact NZ-OD1 3.23Å; K182-D483 IonicContact NZ-OD2 2.78Å
183V91.8Very high68Low0 Ų055.3 Ų55.30%029%0.292CS..EExtended strand (participates in β ladder)trans-110.1121.5179.1-1650000107.7S158 A159 W161 V181 P247 W287 F297 T303 F304 Y305S158-V183 CarbonylContact C-O 3.43Å; S158-V183 WeakPolarHBondContact CA-O 3.41Å; S158-V183 WeakPolarHBondContact CB-O 3.21Å; A159-V183 PolarHBondContact N-O 3.12Å; A159-V183 PolarHBondContact O-N 2.97Å; W161-V183 HydrophobicContact CE3-CB 4.43Å; W161-V183 HydrophobicContact CE3-CG2 3.73Å; W161-V183 HydrophobicContact CH2-CG2 4.45Å; W161-V183 HydrophobicContact CZ3-CB 3.68Å; W161-V183 HydrophobicContact CZ3-CG2 3.43Å; W161-V183 VanDerWaalsContact CZ3-CG2 3.43Å; V181-V183 HydrophobicContact CG1-CG2 4.16Å; V183-P247 HydrophobicContact CG1-CG 4.16Å; V183-W287 HydrophobicContact CG2-CE3 4.46Å; V183-W287 HydrophobicContact CG2-CH2 4.1Å; V183-W287 HydrophobicContact CG2-CZ3 3.77Å; V183-F297 HydrophobicContact CB-CE1 4.16Å; V183-F297 HydrophobicContact CB-CZ 4.16Å; V183-F297 HydrophobicContact CG1-CE1 3.68Å; V183-F297 HydrophobicContact CG1-CZ 4.18Å; V183-T303 HydrophobicContact CG1-CG2 3.32Å; V183-F304 WeakPolarHBondContact CA-O 3.5Å; V183-Y305 HydrophobicContact CB-CD1 4.4Å; V183-Y305 HydrophobicContact CB-CE1 4.27Å; V183-Y305 HydrophobicContact CG1-CD1 4.09Å; V183-Y305 HydrophobicContact CG1-CE1 3.72Å; V183-Y305 HydrophobicContact CG1-CE2 4.3Å; V183-Y305 HydrophobicContact CG2-CD1 3.6Å; V183-Y305 HydrophobicContact CG2-CE1 3.49Å; V183-Y305 VanDerWaalsContact CG2-CE1 3.49Å
184L88.6Confident67.5Low0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-71.9143.8-178.9-61.9-171.2000110.6N157 L216 Q219 I220 F297 T303 F304 M306N157-L184 WeakPolarHBondContact O-CA 3.21Å; L184-L216 HydrophobicContact CB-CD1 3.64Å; L184-L216 HydrophobicContact CD1-CD1 3.72Å; L184-L216 HydrophobicContact CG-CD1 4.34Å; L184-Q219 HydrophobicContact CD1-CB 4.35Å; L184-Q219 HydrophobicContact CD1-CG 3.94Å; L184-Q219 HydrophobicContact CD2-CG 4.07Å; L184-I220 HydrophobicContact CD1-CB 4.13Å; L184-I220 HydrophobicContact CD1-CD1 4.2Å; L184-F297 WeakPolarHBondContact O-CE1 3.29Å; L184-T303 PolarHBondContact O-OG1 2.81Å; L184-F304 HydrophobicContact CB-CB 4.48Å; L184-F304 HydrophobicContact CD1-CB 3.93Å; L184-F304 HydrophobicContact CD1-CD2 4.38Å; L184-F304 HydrophobicContact CG-CB 4.15Å; L184-F304 PolarHBondContact N-O 2.99Å; L184-M306 HydrophobicContact CD2-CE 3.51Å; L184-M306 HydrophobicContact CG-CE 4.09Å
185Y84.5Confident66.6Low16 Ų1653.8 Ų53.86%0.06330%0.3CS..  trans-71.5138.6169.6-61.3-40.1000110.2A154 G155 N157 S158 A159 Y187 F293 F297A154-Y185 WeakPolarHBondContact CB-OH 3.27Å; G155-Y185 WeakPolarHBondContact O-CE2 3.3Å; N157-Y185 PolarHBondContact O-N 2.66Å; S158-Y185 VanDerWaalsContact N-CE2 3.32Å; S158-Y185 PolarHBondContact O-OH 2.82Å; A159-Y185 HydrophobicContact CB-CE1 3.82Å; Y185-Y187 HydrophobicContact CD2-CE1 4.36Å; Y185-Y187 AromaticContact CD2-CE2 4Å; Y185-Y187 HydrophobicContact CD2-CE2 4Å; Y185-Y187 AromaticContact CD2-CZ 3.54Å; Y185-Y187 WeakPolarHBondContact CD2-OH 3.32Å; Y185-Y187 HydrophobicContact CG-CE1 4.46Å; Y185-Y187 HydrophobicContact CG-CE2 4.28Å; Y185-Y187 AromaticContact CG-CZ 3.92Å; Y185-F293 HydrophobicContact CE1-CB 3.83Å; Y185-F293 HydrophobicContact CE1-CD1 4.2Å; Y185-F293 HydrophobicContact CE1-CG 4.08Å; Y185-F293 AromaticContact CZ-CD1 3.87Å; Y185-F293 WeakPolarHBondContact OH-CD1 3Å; Y185-F293 WeakPolarHBondContact OH-CE1 3.32Å; Y185-F297 HydrophobicContact CD1-CD2 4.39Å; Y185-F297 AromaticContact CD1-CE1 3.89Å; Y185-F297 HydrophobicContact CD1-CE1 3.89Å; Y185-F297 AromaticContact CD1-CE2 3.69Å; Y185-F297 HydrophobicContact CD1-CE2 3.69Å; Y185-F297 AromaticContact CD1-CZ 3.41Å; Y185-F297 HydrophobicContact CD1-CZ 3.41Å; Y185-F297 VanDerWaalsContact CD1-CZ 3.41Å; Y185-F297 HydrophobicContact CE1-CD2 4.43Å; Y185-F297 HydrophobicContact CE1-CE1 4.46Å; Y185-F297 AromaticContact CE1-CE2 3.52Å; Y185-F297 HydrophobicContact CE1-CE2 3.52Å; Y185-F297 AromaticContact CE1-CZ 3.54Å; Y185-F297 HydrophobicContact CE1-CZ 3.54Å
186N79.2Confident65.6Low0 Ų060.6 Ų60.60%033%0.327CS..  trans-108.697.1171.1175.1-22.6000107.6Y188 G296 R300 Y302N186-Y188 VanDerWaalsContact CG-CD2 3.42Å; N186-Y188 PolarHBondContact O-N 3.26Å; N186-Y188 VanDerWaalsContact OD1-CB 3.27Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.16Å; N186-Y188 WeakPolarHBondContact OD1-CD2 3.31Å; N186-Y188 WeakPolarHBondContact OD1-CE2 3.43Å; N186-Y188 VanDerWaalsContact OD1-CG 3.3Å; N186-Y188 PolarHBondContact OD1-N 3.44Å; N186-G296 CarbonylContact C-O 3.51Å; N186-G296 WeakPolarHBondContact CA-O 3.41Å; N186-G296 PolarHBondContact N-O 3.23Å; N186-G296 CarbonylContact O-C 2.96Å; N186-G296 VanDerWaalsContact O-O 3.12Å; N186-R300 HydrophobicContact CB-CB 4.09Å; N186-R300 HydrophobicContact CB-CG 4Å; N186-R300 VanDerWaalsContact O-CD 3.28Å; N186-R300 WeakPolarHBondContact O-CD 3.37Å; N186-R300 VanDerWaalsContact O-CG 3.3Å; N186-R300 WeakPolarHBondContact O-CG 3.36Å; N186-R300 PolarHBondContact O-NE 3.02Å; N186-Y302 PolarHBondContact ND2-O 3.35Å
187Y68.7Low64.4Low106 Ų10659.8 Ų59.842%0.41633%0.333SS..  trans-80.513.7179.7-64.7-65.2000114.3C156 Y185 A189C156-Y187 PolarHBondContact O-OH 3.31Å; Y185-Y187 HydrophobicContact CD2-CE1 4.36Å; Y185-Y187 AromaticContact CD2-CE2 4Å; Y185-Y187 HydrophobicContact CD2-CE2 4Å; Y185-Y187 AromaticContact CD2-CZ 3.54Å; Y185-Y187 WeakPolarHBondContact CD2-OH 3.32Å; Y185-Y187 HydrophobicContact CG-CE1 4.46Å; Y185-Y187 HydrophobicContact CG-CE2 4.28Å; Y185-Y187 AromaticContact CG-CZ 3.92Å; Y187-A189 PolarHBondContact O-N 3.44Å
188Y62.1Low62.8Low10 Ų1066.9 Ų66.94%0.03937%0.37CS..  trans-79.5115.6178.5-55.6-62.2000112.4N186 N190 N212 W213 L216 R300N186-Y188 VanDerWaalsContact CG-CD2 3.42Å; N186-Y188 PolarHBondContact O-N 3.26Å; N186-Y188 VanDerWaalsContact OD1-CB 3.27Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.16Å; N186-Y188 WeakPolarHBondContact OD1-CD2 3.31Å; N186-Y188 WeakPolarHBondContact OD1-CE2 3.43Å; N186-Y188 VanDerWaalsContact OD1-CG 3.3Å; N186-Y188 PolarHBondContact OD1-N 3.44Å; Y188-N190 PolarHBondContact O-N 3.39Å; Y188-N190 VanDerWaalsContact O-N 3.15Å; Y188-N212 HydrophobicContact CD1-CB 3.5Å; Y188-N212 VanDerWaalsContact CD1-CB 3.5Å; Y188-N212 HydrophobicContact CE1-CB 3.06Å; Y188-N212 WeakPolarHBondContact CE1-O 3.44Å; Y188-N212 VanDerWaalsContact CZ-O 3.29Å; Y188-N212 PolarHBondContact OH-O 2.91Å; Y188-W213 HydrophobicContact CD1-CG 4.48Å; Y188-W213 HydrophobicContact CD2-CD2 4.07Å; Y188-W213 AromaticContact CD2-CE2 3.95Å; Y188-W213 HydrophobicContact CD2-CE3 4.2Å; Y188-W213 AromaticContact CD2-CH2 3.83Å; Y188-W213 HydrophobicContact CD2-CH2 3.83Å; Y188-W213 AromaticContact CD2-CZ2 3.91Å; Y188-W213 HydrophobicContact CD2-CZ2 3.91Å; Y188-W213 HydrophobicContact CD2-CZ3 4.06Å; Y188-W213 VanDerWaalsContact CE1-CA 3.49Å; Y188-W213 HydrophobicContact CE1-CB 4.17Å; Y188-W213 HydrophobicContact CE1-CD2 4.13Å; Y188-W213 AromaticContact CE1-CG 3.84Å; Y188-W213 HydrophobicContact CE1-CG 3.84Å; Y188-W213 AromaticContact CE2-CD2 3.73Å; Y188-W213 HydrophobicContact CE2-CD2 3.73Å; Y188-W213 AromaticContact CE2-CE3 3.59Å; Y188-W213 HydrophobicContact CE2-CE3 3.59Å; Y188-W213 HydrophobicContact CE2-CG 4.29Å; Y188-W213 AromaticContact CE2-CH2 3.95Å; Y188-W213 HydrophobicContact CE2-CH2 3.95Å; Y188-W213 HydrophobicContact CE2-CZ2 4.27Å; Y188-W213 AromaticContact CE2-CZ3 3.68Å; Y188-W213 HydrophobicContact CE2-CZ3 3.68Å; Y188-W213 AromaticContact CZ-CD2 3.86Å; Y188-W213 AromaticContact CZ-CE3 3.96Å; Y188-W213 AromaticContact CZ-CG 3.94Å; Y188-W213 WeakPolarHBondContact OH-CA 3.49Å; Y188-W213 PolarHBondContact OH-N 3.36Å; Y188-L216 HydrophobicContact CE2-CB 4.2Å; Y188-L216 HydrophobicContact CE2-CD2 3.97Å; Y188-L216 WeakPolarHBondContact OH-CB 3.23Å; Y188-L216 PolarHBondContact OH-N 3.31Å; Y188-R300 WeakPolarHBondContact O-CD 3.33Å; Y188-R300 PolarHBondContact O-NE 2.98Å; Y188-R300 PolarHBondContact O-NH1 3.28Å; Y188-R300 PolarHBondContact O-NH2 2.95Å
189A49.3Very low60.7Low78 Ų7866.9 Ų66.965%0.64538%0.376SS*.  trans-43.7125165.500000111.7Y187Y187-A189 PolarHBondContact O-N 3.44Å
190N49.7Very low58.1Low49 Ų4969.5 Ų69.526%0.26240%0.403SS..  trans-97.3135.2169.3-161.349.1000108.4Y188 N299Y188-N190 PolarHBondContact O-N 3.39Å; Y188-N190 VanDerWaalsContact O-N 3.15Å; N190-N299 HydrophobicContact CB-CB 3.86Å; N190-N299 WeakPolarHBondContact CB-O 3.3Å; N190-N299 PolarHBondContact ND2-O 3.14Å
191S44.5Very low55.6Low75 Ų7576.9 Ų76.952%0.52444%0.442SS..SBendtrans5369.7164.158.70000118.2
192S39.7Very low53Low111 Ų11181.9 Ų81.978%0.77647%0.468SS*.SBendtrans-122.56.1138.456.80000113.1D194S192-D194 PolarHBondContact O-N 3.23Å
193Y42.8Very low50.4Low198 Ų19886.8 Ų86.878%0.77649%0.487SS*.THydrogen-bonded Turntrans-83.720.4168.9-102.5-83.5000113.3G195Y193-G195 PolarHBondContact O-N 3.25Å
194D40.2Very low47.9Very low146 Ų14692.2 Ų92.278%0.78152%0.516SS*.THydrogen-bonded Turntrans-82.73.2171.4-86.1-27.6000113.1S192S192-D194 PolarHBondContact O-N 3.23Å
195G33.8Very low45.5Very low53 Ų5395.4 Ų95.455%0.54654%0.538SS..SBendtrans-106.8109.4170.800000112.1Y193Y193-G195 PolarHBondContact O-N 3.25Å
196Q31Very low43.2Very low193 Ų19399.5 Ų99.590%0.90256%0.561SS**  trans80.118.8161.5-58.3-178.5-16.700120.5N198Q196-N198 PolarHBondContact O-N 2.73Å
197A35Very low41.2Very low64 Ų64107.4 Ų107.453%0.52960%0.598SS.*  trans-77.769.316000000110.8L199A197-L199 HydrophobicContact CB-CG 4.48Å; A197-L199 PolarHBondContact O-N 2.6Å
198N32.4Very low39.9Very low162 Ų162108.7 Ų108.787%0.86661%0.612SS**  trans-61.885.8150.3-87.7-28.9000106.4Q196 G200Q196-N198 PolarHBondContact O-N 2.73Å; N198-G200 PolarHBondContact O-N 3.32Å
199L38.3Very low39.2Very low130 Ų130112.7 Ų112.768%0.68163%0.633SS**  trans-69.268.2165.4-76.7159000108A197 D201A197-L199 HydrophobicContact CB-CG 4.48Å; A197-L199 PolarHBondContact O-N 2.6Å; L199-D201 PolarHBondContact O-N 3.35Å
200G33.1Very low39.2Very low55 Ų55111.6 Ų111.657%0.56762%0.619SS**  trans-73.1108.5158.700000106.9N198 D202N198-G200 PolarHBondContact O-N 3.32Å; G200-D202 PolarHBondContact O-N 2.86Å
201D39Very low39.2Very low164 Ų164115.5 Ų115.588%0.87764%0.64SS**SBendtrans35.89.6160.4-68.5-28000121.2L199 Y203L199-D201 PolarHBondContact O-N 3.35Å; D201-Y203 PolarHBondContact O-N 3.45Å
202D37.4Very low39.6Very low104 Ų104115.6 Ų115.656%0.55664%0.635SS**  trans-86.791.5-170.3-150.6-8.8000110.6G200 N204 S205G200-D202 PolarHBondContact O-N 2.86Å; D202-N204 PolarHBondContact O-N 3.2Å; D202-N204 PolarHBondContact OD1-ND2 3.01Å; D202-S205 PolarHBondContact O-N 3.09Å; D202-S205 PolarHBondContact O-OG 2.72Å
203Y38.4Very low40.6Very low108 Ų108110.4 Ų110.442%0.42460%0.598SS.*G310 helixtrans-52.8-14.8177.5-109.9-90.1000114.6H57 S58 Q59 D201H57-Y203 PolarHBondContact O-OH 3.36Å; H57-Y203 VanDerWaalsContact O-OH 3.12Å; S58-Y203 WeakPolarHBondContact CA-OH 3.21Å; S58-Y203 PolarHBondContact N-OH 3.5Å; S58-Y203 VanDerWaalsContact O-CE2 3.28Å; S58-Y203 WeakPolarHBondContact O-CE2 3.2Å; S58-Y203 PolarHBondContact O-OH 3.27Å; Q59-Y203 WeakPolarHBondContact CA-OH 3.36Å; Q59-Y203 PolarHBondContact N-OH 2.82Å; D201-Y203 PolarHBondContact O-N 3.45Å
204N37.4Very low41.4Very low115 Ų115105 Ų10562%0.61558%0.582SS**G310 helixtrans-84.3-9.7-176.8-66.9-45000114.5D202 L206 Q207D202-N204 PolarHBondContact O-N 3.2Å; D202-N204 PolarHBondContact OD1-ND2 3.01Å; N204-L206 PolarHBondContact O-N 2.61Å; N204-Q207 PolarHBondContact O-N 3.07Å
205S38.6Very low42.6Very low66 Ų66102.6 Ų102.646%0.46257%0.569SS.*G310 helixtrans-70-8.3179.6520000115D202 Q207D202-S205 PolarHBondContact O-N 3.09Å; D202-S205 PolarHBondContact O-OG 2.72Å; S205-Q207 PolarHBondContact O-N 3.34Å
206L36Very low44.4Very low103 Ų103100.4 Ų100.454%0.53955%0.545SS..G310 helixtrans-69.9-12.3174.5-85.8155.3000114.2N204 N208N204-L206 PolarHBondContact O-N 2.61Å; L206-N208 VanDerWaalsContact C-N 3.3Å
207Q38.2Very low46.3Very low166 Ų16692.4 Ų92.478%0.77651%0.507SS*.G310 helixtrans-75.5-16.6178.2-73-172.4-16.500113.7N204 S205 I209N204-Q207 PolarHBondContact O-N 3.07Å; S205-Q207 PolarHBondContact O-N 3.34Å; Q207-I209 PolarHBondContact O-N 3.13Å
208N40.7Very low47.9Very low133 Ų13393 Ų9371%0.71150%0.496SS*.  trans-98.965-179.9-69.3-17.7000110.9L206 P210L206-N208 VanDerWaalsContact C-N 3.3Å; N208-P210 WeakPolarHBondContact O-CD 3.39Å
209I47.1Very low50.1Low93 Ų9385.9 Ų85.948%0.47746%0.458SS..  trans-69.4116.2158.7-61.2174000105.2Q207 D211 W213Q207-I209 PolarHBondContact O-N 3.13Å; I209-D211 PolarHBondContact O-N 3.31Å; I209-D211 VanDerWaalsContact O-N 3.13Å; I209-W213 HydrophobicContact CG2-CB 3.74Å; I209-W213 HydrophobicContact CG2-CG 4.36Å
210P50.5Low52.1Low55 Ų5579.7 Ų79.736%0.35743%0.425SS..  trans-51.3125.6176.4-23.727.8000109.7N208 N212 W213N208-P210 WeakPolarHBondContact O-CD 3.39Å; P210-N212 PolarHBondContact O-N 3.16Å; P210-W213 WeakPolarHBondContact O-CB 3.35Å; P210-W213 PolarHBondContact O-N 2.94Å
211D49.7Very low54Low132 Ų13280.2 Ų80.271%0.70641%0.413SS*.Hα-helixtrans-46.5-33.7-177-72.8-36.3000112.9I209 W213 L214I209-D211 PolarHBondContact O-N 3.31Å; I209-D211 VanDerWaalsContact O-N 3.13Å; D211-W213 PolarHBondContact O-N 2.82Å; D211-W213 VanDerWaalsContact O-N 3.13Å; D211-L214 VanDerWaalsContact O-CB 3.24Å; D211-L214 WeakPolarHBondContact O-CB 3.41Å; D211-L214 PolarHBondContact O-N 2.76Å
212N53Low56Low77 Ų7775.7 Ų75.741%0.41238%0.383SS..Hα-helixtrans-54.2-36.4177.8-65.6-13.6000110.4Y188 P210 L214 L215 L216Y188-N212 HydrophobicContact CD1-CB 3.5Å; Y188-N212 VanDerWaalsContact CD1-CB 3.5Å; Y188-N212 HydrophobicContact CE1-CB 3.06Å; Y188-N212 WeakPolarHBondContact CE1-O 3.44Å; Y188-N212 VanDerWaalsContact CZ-O 3.29Å; Y188-N212 PolarHBondContact OH-O 2.91Å; P210-N212 PolarHBondContact O-N 3.16Å; N212-L214 VanDerWaalsContact C-N 3.26Å; N212-L214 PolarHBondContact O-N 2.8Å; N212-L215 VanDerWaalsContact O-CA 3.32Å; N212-L215 WeakPolarHBondContact O-CA 3.45Å; N212-L215 WeakPolarHBondContact O-CB 3.38Å; N212-L215 PolarHBondContact O-N 3.07Å; N212-L216 PolarHBondContact O-N 3.32Å
213W60.1Low58.2Low2 Ų270.9 Ų70.91%0.00836%0.357CS..Hα-helixtrans-64.6-37.7-171.9-91111000110.3Y188 I209 P210 D211 L215 L216 H217 Y302Y188-W213 HydrophobicContact CD1-CG 4.48Å; Y188-W213 HydrophobicContact CD2-CD2 4.07Å; Y188-W213 AromaticContact CD2-CE2 3.95Å; Y188-W213 HydrophobicContact CD2-CE3 4.2Å; Y188-W213 AromaticContact CD2-CH2 3.83Å; Y188-W213 HydrophobicContact CD2-CH2 3.83Å; Y188-W213 AromaticContact CD2-CZ2 3.91Å; Y188-W213 HydrophobicContact CD2-CZ2 3.91Å; Y188-W213 HydrophobicContact CD2-CZ3 4.06Å; Y188-W213 VanDerWaalsContact CE1-CA 3.49Å; Y188-W213 HydrophobicContact CE1-CB 4.17Å; Y188-W213 HydrophobicContact CE1-CD2 4.13Å; Y188-W213 AromaticContact CE1-CG 3.84Å; Y188-W213 HydrophobicContact CE1-CG 3.84Å; Y188-W213 AromaticContact CE2-CD2 3.73Å; Y188-W213 HydrophobicContact CE2-CD2 3.73Å; Y188-W213 AromaticContact CE2-CE3 3.59Å; Y188-W213 HydrophobicContact CE2-CE3 3.59Å; Y188-W213 HydrophobicContact CE2-CG 4.29Å; Y188-W213 AromaticContact CE2-CH2 3.95Å; Y188-W213 HydrophobicContact CE2-CH2 3.95Å; Y188-W213 HydrophobicContact CE2-CZ2 4.27Å; Y188-W213 AromaticContact CE2-CZ3 3.68Å; Y188-W213 HydrophobicContact CE2-CZ3 3.68Å; Y188-W213 AromaticContact CZ-CD2 3.86Å; Y188-W213 AromaticContact CZ-CE3 3.96Å; Y188-W213 AromaticContact CZ-CG 3.94Å; Y188-W213 WeakPolarHBondContact OH-CA 3.49Å; Y188-W213 PolarHBondContact OH-N 3.36Å; I209-W213 HydrophobicContact CG2-CB 3.74Å; I209-W213 HydrophobicContact CG2-CG 4.36Å; P210-W213 WeakPolarHBondContact O-CB 3.35Å; P210-W213 PolarHBondContact O-N 2.94Å; D211-W213 PolarHBondContact O-N 2.82Å; D211-W213 VanDerWaalsContact O-N 3.13Å; W213-L215 PolarHBondContact O-N 2.68Å; W213-L216 HydrophobicContact CZ3-CD2 4.13Å; W213-L216 PolarHBondContact O-N 2.71Å; W213-H217 WeakPolarHBondContact O-CB 3.47Å; W213-H217 PolarHBondContact O-CD2 3.48Å; W213-H217 PolarHBondContact O-N 3.32Å; W213-Y302 HydrophobicContact CH2-CD2 4.09Å; W213-Y302 HydrophobicContact CH2-CE1 4Å; W213-Y302 AromaticContact CH2-CE2 3.13Å; W213-Y302 HydrophobicContact CH2-CE2 3.13Å; W213-Y302 AromaticContact CH2-CZ 3.08Å; W213-Y302 WeakPolarHBondContact CH2-OH 3.38Å; W213-Y302 HydrophobicContact CZ2-CE1 4.43Å; W213-Y302 HydrophobicContact CZ2-CE2 4.16Å; W213-Y302 AromaticContact CZ2-CZ 3.67Å; W213-Y302 WeakPolarHBondContact CZ2-OH 3.46Å; W213-Y302 HydrophobicContact CZ3-CD2 4.41Å; W213-Y302 AromaticContact CZ3-CE2 3.47Å; W213-Y302 HydrophobicContact CZ3-CE2 3.47Å; W213-Y302 VanDerWaalsContact CZ3-CE2 3.47Å; W213-Y302 AromaticContact CZ3-CZ 3.86Å
214L60Low60.2Low83 Ų8366.9 Ų66.944%0.43535%0.345SS..Hα-helixtrans-57.7-35.9171.1-169.962.5000110.8D211 N212 R218D211-L214 VanDerWaalsContact O-CB 3.24Å; D211-L214 WeakPolarHBondContact O-CB 3.41Å; D211-L214 PolarHBondContact O-N 2.76Å; N212-L214 VanDerWaalsContact C-N 3.26Å; N212-L214 PolarHBondContact O-N 2.8Å; L214-R218 HydrophobicContact CG-CG 4.41Å; L214-R218 WeakPolarHBondContact O-CB 3.33Å; L214-R218 WeakPolarHBondContact O-CG 3.25Å; L214-R218 PolarHBondContact O-N 3.03Å
215L66.3Low62.1Low96 Ų9663.4 Ų63.450%0.50333%0.325SS..Hα-helixtrans-67.5-49177.9-53.7176.2000112.9N212 W213 H217 R218 Q219N212-L215 VanDerWaalsContact O-CA 3.32Å; N212-L215 WeakPolarHBondContact O-CA 3.45Å; N212-L215 WeakPolarHBondContact O-CB 3.38Å; N212-L215 PolarHBondContact O-N 3.07Å; W213-L215 PolarHBondContact O-N 2.68Å; L215-H217 VanDerWaalsContact C-N 3.29Å; L215-H217 PolarHBondContact O-N 3.12Å; L215-R218 PolarHBondContact O-N 3.14Å; L215-Q219 WeakPolarHBondContact O-CB 3.43Å; L215-Q219 PolarHBondContact O-N 3.3Å
216L71.2Confident64.3Low8 Ų861 Ų614%0.04231%0.307CS..Hα-helixtrans-63.1-38.3177-179.562.5000111.3L184 Y188 N212 W213 Q219 I220 F304L184-L216 HydrophobicContact CB-CD1 3.64Å; L184-L216 HydrophobicContact CD1-CD1 3.72Å; L184-L216 HydrophobicContact CG-CD1 4.34Å; Y188-L216 HydrophobicContact CE2-CB 4.2Å; Y188-L216 HydrophobicContact CE2-CD2 3.97Å; Y188-L216 WeakPolarHBondContact OH-CB 3.23Å; Y188-L216 PolarHBondContact OH-N 3.31Å; N212-L216 PolarHBondContact O-N 3.32Å; W213-L216 HydrophobicContact CZ3-CD2 4.13Å; W213-L216 PolarHBondContact O-N 2.71Å; L216-Q219 WeakPolarHBondContact O-CB 3.47Å; L216-Q219 PolarHBondContact O-N 3.31Å; L216-I220 PolarHBondContact O-N 3.01Å; L216-F304 HydrophobicContact CD1-CD2 4.18Å; L216-F304 HydrophobicContact CD2-CD2 4.16Å; L216-F304 HydrophobicContact CD2-CE2 4.29Å; L216-F304 HydrophobicContact CG-CD2 3.96Å; L216-F304 HydrophobicContact CG-CE2 4.15Å
217H69.6Low66.6Low25 Ų2556.7 Ų56.712%0.11628%0.284CS..Hα-helixtrans-69.4-38.1174.9-77.2-55.5000113.2R88 W213 L215 Q219 I220 Q221 F304R88-H217 PolarHBondContact O-CE1 2.93Å; R88-H217 PolarHBondContact O-NE2 2.6Å; W213-H217 WeakPolarHBondContact O-CB 3.47Å; W213-H217 PolarHBondContact O-CD2 3.48Å; W213-H217 PolarHBondContact O-N 3.32Å; L215-H217 VanDerWaalsContact C-N 3.29Å; L215-H217 PolarHBondContact O-N 3.12Å; H217-Q219 VanDerWaalsContact C-N 3.31Å; H217-I220 VanDerWaalsContact O-CG2 3.26Å; H217-I220 WeakPolarHBondContact O-CG2 3.33Å; H217-Q221 VanDerWaalsContact O-CB 3.26Å; H217-Q221 WeakPolarHBondContact O-CB 3.5Å; H217-Q221 PolarHBondContact O-N 2.92Å; H217-F304 AromaticContact CE1-CZ 3.99Å
218R69.7Low68.5Low77 Ų7749.4 Ų49.429%0.29125%0.25SS..Hα-helixtrans-63.7-40.1171.8-80.7172.7168.5163.5-2.3110.4L214 L215 Q221 R222 E507L214-R218 HydrophobicContact CG-CG 4.41Å; L214-R218 WeakPolarHBondContact O-CB 3.33Å; L214-R218 WeakPolarHBondContact O-CG 3.25Å; L214-R218 PolarHBondContact O-N 3.03Å; L215-R218 PolarHBondContact O-N 3.14Å; R218-Q221 WeakPolarHBondContact O-CB 3.47Å; R218-Q221 PolarHBondContact O-N 3.11Å; R218-R222 WeakPolarHBondContact O-CG 3.39Å; R218-R222 PolarHBondContact O-N 3.08Å; R218-E507 IonicContact CZ-OE1 3.47Å; R218-E507 VanDerWaalsContact CZ-OE1 3.3Å; R218-E507 IonicContact NE-OE1 2.86Å; R218-E507 PolarHBondContact NE-OE1 3.21Å; R218-E507 IonicContact NH2-OE1 2.79Å; R218-E507 PolarHBondContact NH2-OE1 3.18Å
219Q78.9Confident69.8Low12 Ų1252.1 Ų52.16%0.05626%0.259CS..Hα-helixtrans-60.6-54.4177.5-174.565.522.700111.2N157 L184 L215 L216 H217 Q221 R222 E223N157-Q219 HydrophobicContact CB-CG 4.26Å; N157-Q219 PolarHBondContact ND2-OE1 3.22Å; L184-Q219 HydrophobicContact CD1-CB 4.35Å; L184-Q219 HydrophobicContact CD1-CG 3.94Å; L184-Q219 HydrophobicContact CD2-CG 4.07Å; L215-Q219 WeakPolarHBondContact O-CB 3.43Å; L215-Q219 PolarHBondContact O-N 3.3Å; L216-Q219 WeakPolarHBondContact O-CB 3.47Å; L216-Q219 PolarHBondContact O-N 3.31Å; H217-Q219 VanDerWaalsContact C-N 3.31Å; Q219-Q221 PolarHBondContact O-N 2.89Å; Q219-R222 PolarHBondContact O-N 2.79Å; Q219-R222 VanDerWaalsContact O-N 3.15Å; Q219-E223 HydrophobicContact CG-CG 4.35Å; Q219-E223 PolarHBondContact NE2-OE1 2.78Å; Q219-E223 WeakPolarHBondContact O-CB 3.36Å; Q219-E223 WeakPolarHBondContact O-CG 3.45Å; Q219-E223 PolarHBondContact O-N 3.33Å
220I78.6Confident70.6Confident0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-63.5-31.3178.2-166.464.2000111.8L184 L216 H217 C224 F304 M306L184-I220 HydrophobicContact CD1-CB 4.13Å; L184-I220 HydrophobicContact CD1-CD1 4.2Å; L216-I220 PolarHBondContact O-N 3.01Å; H217-I220 VanDerWaalsContact O-CG2 3.26Å; H217-I220 WeakPolarHBondContact O-CG2 3.33Å; I220-C224 WeakPolarHBondContact CD1-SG 3.04Å; I220-C224 WeakPolarHBondContact O-CB 3.42Å; I220-C224 PolarHBondContact O-N 3.4Å; I220-C224 PolarHBondContact O-SG 2.8Å; I220-C224 VanDerWaalsContact O-SG 3.38Å; I220-F304 HydrophobicContact CB-CD2 4.27Å; I220-F304 HydrophobicContact CB-CE2 4.48Å; I220-F304 HydrophobicContact CB-CG 4.41Å; I220-F304 HydrophobicContact CD1-CB 4.11Å; I220-F304 HydrophobicContact CD1-CD1 4.35Å; I220-F304 HydrophobicContact CD1-CG 4.2Å; I220-F304 HydrophobicContact CG1-CD1 4.11Å; I220-F304 HydrophobicContact CG1-CD2 4.47Å; I220-F304 HydrophobicContact CG1-CE1 4.43Å; I220-F304 HydrophobicContact CG1-CG 4.13Å; I220-F304 HydrophobicContact CG2-CD2 4.39Å; I220-F304 HydrophobicContact CG2-CE2 4.1Å; I220-F304 HydrophobicContact CG2-CZ 4.26Å; I220-M306 HydrophobicContact CD1-CG 3.98Å; I220-M306 HydrophobicContact CD1-SD 3.74Å
221Q73.8Confident71.5Confident65 Ų6551 Ų5130%0.30425%0.253SS..Hα-helixtrans-63.4-46.6174.4-166.2-174-1000111.3H217 R218 Q219 E225H217-Q221 VanDerWaalsContact O-CB 3.26Å; H217-Q221 WeakPolarHBondContact O-CB 3.5Å; H217-Q221 PolarHBondContact O-N 2.92Å; R218-Q221 WeakPolarHBondContact O-CB 3.47Å; R218-Q221 PolarHBondContact O-N 3.11Å; Q219-Q221 PolarHBondContact O-N 2.89Å; Q221-E225 HydrophobicContact CG-CB 4.29Å; Q221-E225 HydrophobicContact CG-CG 3.98Å; Q221-E225 WeakPolarHBondContact CG-OE2 3.4Å; Q221-E225 PolarHBondContact NE2-OE2 3.31Å; Q221-E225 WeakPolarHBondContact O-CA 3.48Å; Q221-E225 WeakPolarHBondContact O-CB 3.49Å; Q221-E225 PolarHBondContact O-N 3.07Å
222R82Confident73.2Confident70 Ų7045.1 Ų45.126%0.26422%0.221SC..Hα-helixtrans-64.9-48.3177.2-66.6175.7-175.4164.5-0.8111.2R218 Q219 C224 L226 F484 G485R218-R222 WeakPolarHBondContact O-CG 3.39Å; R218-R222 PolarHBondContact O-N 3.08Å; Q219-R222 PolarHBondContact O-N 2.79Å; Q219-R222 VanDerWaalsContact O-N 3.15Å; R222-C224 VanDerWaalsContact C-N 3.29Å; R222-C224 PolarHBondContact O-N 3.34Å; R222-L226 HydrophobicContact CB-CD1 4.14Å; R222-L226 HydrophobicContact CG-CD1 3.99Å; R222-L226 VanDerWaalsContact O-CB 3.31Å; R222-L226 WeakPolarHBondContact O-CB 3.38Å; R222-L226 PolarHBondContact O-N 3.31Å; R222-F484 WeakPolarHBondContact CB-O 3.46Å; R222-G485 WeakPolarHBondContact CD-O 3.01Å; R222-G485 PolarHBondContact NH1-O 3.14Å
223E83.6Confident74.7Confident2 Ų241.9 Ų41.91%0.00921%0.205CC..Hα-helixtrans-60.9-35-179.1-65.6-81.6-164.400113.7K182 Q219 M306 F484 G485K182-E223 WeakPolarHBondContact CE-OE1 3.42Å; K182-E223 VanDerWaalsContact NZ-CD 3.34Å; K182-E223 IonicContact NZ-OE1 2.7Å; K182-E223 PolarHBondContact NZ-OE1 3.02Å; K182-E223 IonicContact NZ-OE2 3.3Å; K182-E223 PolarHBondContact NZ-OE2 3.31Å; Q219-E223 HydrophobicContact CG-CG 4.35Å; Q219-E223 PolarHBondContact NE2-OE1 2.78Å; Q219-E223 WeakPolarHBondContact O-CB 3.36Å; Q219-E223 WeakPolarHBondContact O-CG 3.45Å; Q219-E223 PolarHBondContact O-N 3.33Å; E223-M306 HydrophobicContact CB-CE 4.31Å; E223-M306 HydrophobicContact CB-SD 3.7Å; E223-M306 HydrophobicContact CG-CE 4.18Å; E223-M306 HydrophobicContact CG-SD 4.23Å; E223-F484 PolarHBondContact OE2-N 3.31Å; E223-F484 VanDerWaalsContact OE2-N 3.15Å; E223-G485 PolarHBondContact OE1-N 2.75Å
224C79.9Confident76.2Confident24 Ų2441.9 Ų41.916%0.16221%0.205CC..Hα-helixtrans-101.5-46.8-175.6-63.20000114.2I220 R222 L238I220-C224 WeakPolarHBondContact CD1-SG 3.04Å; I220-C224 WeakPolarHBondContact O-CB 3.42Å; I220-C224 PolarHBondContact O-N 3.4Å; I220-C224 PolarHBondContact O-SG 2.8Å; I220-C224 VanDerWaalsContact O-SG 3.38Å; R222-C224 VanDerWaalsContact C-N 3.29Å; R222-C224 PolarHBondContact O-N 3.34Å; C224-L238 HydrophobicContact CB-CD1 4.18Å
225E76Confident77.7Confident42 Ų4238.2 Ų38.220%0.19619%0.185CC..Hα-helixtrans-86.6-19.9-172.2-59-176.2-17800113.7R88 Q221 R489R88-E225 IonicContact CZ-OE1 3.74Å; R88-E225 IonicContact NH1-OE1 2.71Å; R88-E225 PolarHBondContact NH1-OE1 2.83Å; R88-E225 IonicContact NH2-OE1 2.64Å; Q221-E225 HydrophobicContact CG-CB 4.29Å; Q221-E225 HydrophobicContact CG-CG 3.98Å; Q221-E225 WeakPolarHBondContact CG-OE2 3.4Å; Q221-E225 PolarHBondContact NE2-OE2 3.31Å; Q221-E225 WeakPolarHBondContact O-CA 3.48Å; Q221-E225 WeakPolarHBondContact O-CB 3.49Å; Q221-E225 PolarHBondContact O-N 3.07Å; E225-R489 PolarHBondContact O-NH2 3.38Å
226L85.4Confident78.8Confident15 Ų1533.6 Ų33.68%0.07916%0.161CC..SBendtrans-99.81.3176.4-52.3-178.6000112.6R222 I422 F484 A487 R489R222-L226 HydrophobicContact CB-CD1 4.14Å; R222-L226 HydrophobicContact CG-CD1 3.99Å; R222-L226 VanDerWaalsContact O-CB 3.31Å; R222-L226 WeakPolarHBondContact O-CB 3.38Å; R222-L226 PolarHBondContact O-N 3.31Å; L226-I422 HydrophobicContact CB-CG2 4.35Å; L226-I422 WeakPolarHBondContact O-CD1 3.23Å; L226-F484 VanDerWaalsContact O-CD1 3.28Å; L226-F484 WeakPolarHBondContact O-CD1 3.45Å; L226-F484 VanDerWaalsContact O-CE1 3.31Å; L226-F484 WeakPolarHBondContact O-CE1 3.13Å; L226-A487 HydrophobicContact CB-CB 3.96Å; L226-A487 HydrophobicContact CD1-CB 3.91Å; L226-A487 WeakPolarHBondContact CD1-O 3.16Å; L226-R489 HydrophobicContact CD2-CG 3.48Å; L226-R489 VanDerWaalsContact CD2-CG 3.48Å
227R85.3Confident79.4Confident14 Ų1434 Ų345%0.05316%0.164CC..SBendtrans-78.8126.5162.5-166.7175.4-69.6-85.414.2108.2Q229 I235 V236 F484R227-Q229 PolarHBondContact O-N 2.94Å; R227-I235 HydrophobicContact CG-CG2 3.85Å; R227-V236 VanDerWaalsContact CD-O 3.24Å; R227-V236 WeakPolarHBondContact CD-O 3.03Å; R227-V236 PolarHBondContact NE-O 3.1Å; R227-V236 PolarHBondContact NH1-O 3.32Å; R227-F484 HydrophobicContact CB-CD1 4.45Å; R227-F484 HydrophobicContact CG-CE2 4.46Å; R227-F484 HydrophobicContact CG-CZ 4.38Å; R227-F484 VanDerWaalsContact CZ-CD2 3.49Å
228P78.5Confident79.8Confident12 Ų1234.8 Ų34.88%0.07817%0.169CC..  trans-51.6136.9175.4-2936.5000111.3T230 I235 E416 L417 I422P228-T230 VanDerWaalsContact CB-OG1 3.3Å; P228-T230 WeakPolarHBondContact CB-OG1 3.11Å; P228-T230 PolarHBondContact O-N 2.78Å; P228-I235 HydrophobicContact CB-CD1 4.48Å; P228-I235 HydrophobicContact CG-CD1 3.74Å; P228-E416 HydrophobicContact CB-CG 4.01Å; P228-E416 HydrophobicContact CG-CG 4.01Å; P228-L417 HydrophobicContact CG-CD2 3.8Å; P228-I422 HydrophobicContact CG-CD1 4.38Å
229Q67.1Low80Confident191 Ų19133.3 Ų33.389%0.89317%0.169SC*.SBendtrans-76.1-11.6178.3-66-176.4-9.300112.2R227R227-Q229 PolarHBondContact O-N 2.94Å
230T64.8Low79.8Confident59 Ų5933.9 Ų33.936%0.36218%0.178SC..SBendtrans-65.6130.1167.953.90000108.1P228 H232 E416P228-T230 VanDerWaalsContact CB-OG1 3.3Å; P228-T230 WeakPolarHBondContact CB-OG1 3.11Å; P228-T230 PolarHBondContact O-N 2.78Å; T230-H232 PolarHBondContact O-N 2.77Å; T230-E416 VanDerWaalsContact CB-OE1 3.27Å; T230-E416 WeakPolarHBondContact CB-OE1 3.36Å; T230-E416 VanDerWaalsContact CG2-OE1 3.27Å; T230-E416 WeakPolarHBondContact CG2-OE1 3.07Å; T230-E416 VanDerWaalsContact OG1-CD 3.27Å; T230-E416 PolarHBondContact OG1-OE1 3.44Å
231N67.4Low79.8Confident66 Ų6636.6 Ų36.635%0.35319%0.19SC..  trans-72.960.9174.3-78.3-29.2000110.6T129 K131T129-N231 PolarHBondContact O-ND2 3.06Å; T129-N231 VanDerWaalsContact O-ND2 3.1Å; K131-N231 HydrophobicContact CB-CB 4.3Å; K131-N231 PolarHBondContact NZ-O 3.01Å
232H85.6Confident80Confident7 Ų733.9 Ų33.93%0.03218%0.177CC..  trans-66.5133.4-175.6-169.8-84.7000110.9T230 N234 I235 E412 E416 L698T230-H232 PolarHBondContact O-N 2.77Å; H232-N234 VanDerWaalsContact C-N 3.32Å; H232-N234 PolarHBondContact ND1-N 2.9Å; H232-N234 VanDerWaalsContact ND1-N 3.13Å; H232-N234 PolarHBondContact O-N 3.27Å; H232-I235 HydrophobicContact CB-CB 4.21Å; H232-I235 HydrophobicContact CB-CD1 4.15Å; H232-I235 HydrophobicContact CB-CG1 4.25Å; H232-I235 PolarHBondContact O-N 3.35Å; H232-I235 VanDerWaalsContact O-O 3.14Å; H232-E412 VanDerWaalsContact CE1-C 3.47Å; H232-E412 PolarHBondContact CE1-O 2.93Å; H232-E412 VanDerWaalsContact CE1-O 3.31Å; H232-E412 PolarHBondContact NE2-O 2.56Å; H232-E416 HydrophobicContact CB-CG 3.94Å; H232-E416 VanDerWaalsContact CD2-CB 3.49Å; H232-E416 WeakPolarHBondContact CD2-CB 3.34Å; H232-E416 IonicContact CD2-OE2 2.72Å; H232-E416 PolarHBondContact CD2-OE2 3.48Å; H232-L698 WeakPolarHBondContact NE2-CD1 3.36Å
233P84.3Confident79.7Confident10 Ų1030.9 Ų30.97%0.06517%0.167CC..THydrogen-bonded Turntrans-60.3-42.2-175.817.2-25.1000112.9I235 H478 L698P233-I235 VanDerWaalsContact C-N 3.27Å; P233-I235 PolarHBondContact O-N 3.43Å; P233-H478 PolarHBondContact O-CE1 2.93Å; P233-H478 PolarHBondContact O-NE2 3.17Å; P233-L698 HydrophobicContact CG-CD1 3.91Å
234N92.7Very high79.6Confident1 Ų131.3 Ų31.31%0.00517%0.169CC..THydrogen-bonded Turntrans-93.320.6-173.7-48.6101.9000113H232 Q409 A413 V479 A480 L481H232-N234 VanDerWaalsContact C-N 3.32Å; H232-N234 PolarHBondContact ND1-N 2.9Å; H232-N234 VanDerWaalsContact ND1-N 3.13Å; H232-N234 PolarHBondContact O-N 3.27Å; N234-Q409 WeakPolarHBondContact CB-O 3.48Å; N234-Q409 VanDerWaalsContact CG-O 3.28Å; N234-Q409 VanDerWaalsContact ND2-CB 3.35Å; N234-Q409 WeakPolarHBondContact ND2-CB 2.88Å; N234-Q409 WeakPolarHBondContact ND2-CG 2.96Å; N234-Q409 PolarHBondContact ND2-OE1 3.46Å; N234-Q409 VanDerWaalsContact ND2-OE1 3.15Å; N234-A413 HydrophobicContact CB-CB 3.81Å; N234-A413 VanDerWaalsContact O-CB 3.27Å; N234-A413 WeakPolarHBondContact O-CB 3.44Å; N234-V479 WeakPolarHBondContact CA-O 3.47Å; N234-V479 PolarHBondContact ND2-O 3.02Å; N234-A480 CarbonylContact O-C 3.47Å; N234-A480 VanDerWaalsContact O-CA 3.28Å; N234-A480 WeakPolarHBondContact O-CA 3.02Å; N234-L481 PolarHBondContact O-N 3.45Å
235I91.6Very high79.6Confident6 Ų633 Ų333%0.03117%0.172CC..BIsolated β-bridgetrans-128.1123.8170.7-63.6177.8000107.6R227 P228 H232 P233 P237 A413 E416 L417 F484R227-I235 HydrophobicContact CG-CG2 3.85Å; P228-I235 HydrophobicContact CB-CD1 4.48Å; P228-I235 HydrophobicContact CG-CD1 3.74Å; H232-I235 HydrophobicContact CB-CB 4.21Å; H232-I235 HydrophobicContact CB-CD1 4.15Å; H232-I235 HydrophobicContact CB-CG1 4.25Å; H232-I235 PolarHBondContact O-N 3.35Å; H232-I235 VanDerWaalsContact O-O 3.14Å; P233-I235 VanDerWaalsContact C-N 3.27Å; P233-I235 PolarHBondContact O-N 3.43Å; I235-P237 VanDerWaalsContact O-CD 3.27Å; I235-P237 WeakPolarHBondContact O-CD 3.15Å; I235-P237 VanDerWaalsContact O-N 3.12Å; I235-A413 HydrophobicContact CG1-CB 4.23Å; I235-E416 HydrophobicContact CD1-CB 4Å; I235-E416 HydrophobicContact CD1-CG 3.83Å; I235-L417 HydrophobicContact CD1-CD2 3.95Å; I235-L417 HydrophobicContact CD1-CG 4.4Å; I235-F484 HydrophobicContact CG2-CE2 3.96Å; I235-F484 HydrophobicContact CG2-CZ 3.78Å
236V89.5Confident80Confident0 Ų031.3 Ų31.30%017%0.165CC..  trans-62.3113.4-176.3176.20000110.5R227 M308 F311 L433 A480 L481R227-V236 VanDerWaalsContact CD-O 3.24Å; R227-V236 WeakPolarHBondContact CD-O 3.03Å; R227-V236 PolarHBondContact NE-O 3.1Å; R227-V236 PolarHBondContact NH1-O 3.32Å; V236-M308 HydrophobicContact CG1-CB 4Å; V236-M308 HydrophobicContact CG1-CG 4.07Å; V236-M308 HydrophobicContact CG1-SD 3.91Å; V236-F311 HydrophobicContact CG1-CE2 4.3Å; V236-F311 HydrophobicContact CG2-CD2 4.43Å; V236-F311 HydrophobicContact CG2-CE2 3.83Å; V236-F311 HydrophobicContact CG2-CZ 4.08Å; V236-L433 HydrophobicContact CG2-CD1 3.82Å; V236-L433 HydrophobicContact CG2-CG 4.26Å; V236-A480 HydrophobicContact CG2-CB 3.74Å; V236-L481 WeakPolarHBondContact CG2-O 3.18Å; V236-L481 PolarHBondContact N-O 3.35Å
237P82.5Confident80.1Confident15 Ų1530.8 Ų30.810%0.09716%0.163CC..  trans-74150.2-17619.1-15.5000111.3Y132 I235 P309Y132-P237 HydrophobicContact CD2-CG 3.95Å; Y132-P237 HydrophobicContact CE2-CB 4.2Å; Y132-P237 HydrophobicContact CE2-CG 3.1Å; Y132-P237 WeakPolarHBondContact OH-CG 3.44Å; I235-P237 VanDerWaalsContact O-CD 3.27Å; I235-P237 WeakPolarHBondContact O-CD 3.15Å; I235-P237 VanDerWaalsContact O-N 3.12Å; P237-P309 HydrophobicContact CG-CG 4.07Å; P237-P309 VanDerWaalsContact O-CD 3.28Å; P237-P309 WeakPolarHBondContact O-CD 3.4Å
238L79Confident79.7Confident43 Ų4335.4 Ų35.423%0.22519%0.185CC..  trans-84.1119.3164.8-70.2175000108.5C224 M306 M308C224-L238 HydrophobicContact CB-CD1 4.18Å; L238-M306 HydrophobicContact CD2-CB 4Å; L238-M306 HydrophobicContact CD2-CG 4.41Å; L238-M306 HydrophobicContact CD2-SD 4.33Å; L238-M308 HydrophobicContact CD2-CG 3.85Å; L238-M308 HydrophobicContact CD2-SD 4.26Å
239V74.6Confident79.5Confident46 Ų4636 Ų3628%0.27919%0.188SC..  trans-76-35.1174.9-168.60000109.9L135 L138 L307 P309L135-V239 HydrophobicContact CB-CG1 4.04Å; L135-V239 HydrophobicContact CD1-CB 4.41Å; L135-V239 HydrophobicContact CD1-CG1 4.02Å; L135-V239 HydrophobicContact CD1-CG2 3.43Å; L135-V239 VanDerWaalsContact CD1-CG2 3.43Å; L138-V239 HydrophobicContact CD1-CB 4.39Å; L138-V239 HydrophobicContact CD1-CG1 3.33Å; V239-L307 HydrophobicContact CB-CB 4.14Å; V239-L307 WeakPolarHBondContact CB-O 3.42Å; V239-L307 PolarHBondContact N-O 3.12Å; V239-P309 HydrophobicContact CG2-CG 4.19Å
240G73.3Confident79.3Confident24 Ų2431.8 Ų31.825%0.24717%0.172CC..EExtended strand (participates in β ladder)trans-176.8166175.500000110.7L307G240-L307 PolarHBondContact O-N 3.36Å
241H79.3Confident78.5Confident57 Ų5734.7 Ų34.726%0.26419%0.194SC..EExtended strand (participates in β ladder)trans-145.6152.4168.664.6-82.3000109.2Y305 M306H241-Y305 CarbonylContact C-O 3.58Å; H241-Y305 WeakPolarHBondContact CA-O 3.45Å; H241-Y305 VanDerWaalsContact CB-O 3.3Å; H241-Y305 WeakPolarHBondContact CB-O 3.49Å; H241-M306 HydrophobicContact CB-CG 3.93Å
242F78Confident77.2Confident7 Ų735.2 Ų35.23%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-154.8163.9-179.762.5-94.9000110.4N112 A143 I146 D244 F304 Y305 L307N112-F242 HydrophobicContact CB-CB 4.29Å; A143-F242 HydrophobicContact CB-CE2 4.39Å; I146-F242 HydrophobicContact CD1-CE1 3.95Å; I146-F242 HydrophobicContact CD1-CZ 3.59Å; F242-D244 HydrophobicContact CD2-CB 3.98Å; F242-D244 HydrophobicContact CE2-CB 3.81Å; F242-F304 WeakPolarHBondContact O-CA 3.28Å; F242-Y305 HydrophobicContact CD2-CD2 4.24Å; F242-Y305 HydrophobicContact CD2-CG 4.41Å; F242-Y305 AromaticContact CE2-CD2 3.71Å; F242-Y305 HydrophobicContact CE2-CD2 3.71Å; F242-Y305 AromaticContact CE2-CG 3.71Å; F242-Y305 HydrophobicContact CE2-CG 3.71Å; F242-Y305 HydrophobicContact CZ-CD1 4.37Å; F242-Y305 HydrophobicContact CZ-CD2 4.3Å; F242-Y305 AromaticContact CZ-CG 3.82Å; F242-Y305 HydrophobicContact CZ-CG 3.82Å; F242-Y305 PolarHBondContact N-O 2.91Å; F242-Y305 PolarHBondContact O-N 2.92Å; F242-L307 HydrophobicContact CE1-CD1 4.21Å; F242-L307 HydrophobicContact CE1-CD2 4.32Å; F242-L307 HydrophobicContact CE1-CG 4.28Å
243I75.9Confident74.8Confident7 Ų742 Ų424%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-103.5137.2172.3-168.7174.3000108.5F108 I111 N112 Y302 T303 F304F108-I243 WeakPolarHBondContact CB-O 3.17Å; F108-I243 HydrophobicContact CD1-CG2 3.94Å; F108-I243 HydrophobicContact CE1-CG1 4.49Å; I111-I243 HydrophobicContact CG2-CG2 3.25Å; N112-I243 PolarHBondContact ND2-O 3.49Å; N112-I243 WeakPolarHBondContact OD1-CG2 3.49Å; N112-I243 PolarHBondContact OD1-N 2.98Å; N112-I243 PolarHBondContact OD1-O 3.36Å; I243-Y302 HydrophobicContact CD1-CD2 3.54Å; I243-Y302 HydrophobicContact CD1-CE2 3.83Å; I243-Y302 HydrophobicContact CD1-CG 4.5Å; I243-Y302 HydrophobicContact CG1-CD2 3.98Å; I243-T303 WeakPolarHBondContact CA-O 3.45Å; I243-T303 WeakPolarHBondContact CG1-O 3.09Å; I243-F304 HydrophobicContact CB-CD1 3.98Å; I243-F304 HydrophobicContact CB-CE1 3.85Å; I243-F304 HydrophobicContact CD1-CE1 4.19Å; I243-F304 HydrophobicContact CD1-CE2 4.5Å; I243-F304 HydrophobicContact CD1-CZ 4.04Å; I243-F304 HydrophobicContact CG1-CD1 4.4Å; I243-F304 HydrophobicContact CG1-CE1 4.25Å
244D80.2Confident72.4Confident11 Ų1150 Ų506%0.05929%0.287CS..EExtended strand (participates in β ladder)trans-156.2-180175.9-149.3-23.5000110F108 S142 A143 F242 Y302 T303 Y305F108-D244 HydrophobicContact CD2-CB 4.48Å; F108-D244 WeakPolarHBondContact CD2-OD1 3.38Å; S142-D244 WeakPolarHBondContact CA-OD2 3.26Å; S142-D244 VanDerWaalsContact CB-OD2 3.29Å; S142-D244 WeakPolarHBondContact CB-OD2 3.3Å; S142-D244 PolarHBondContact OG-OD2 3.08Å; A143-D244 HydrophobicContact CB-CB 4.15Å; A143-D244 PolarHBondContact N-OD2 3.15Å; F242-D244 HydrophobicContact CD2-CB 3.98Å; F242-D244 HydrophobicContact CE2-CB 3.81Å; D244-Y302 CarbonylContact O-C 3.52Å; D244-Y302 WeakPolarHBondContact O-CA 3.4Å; D244-Y302 WeakPolarHBondContact O-CB 3.27Å; D244-T303 PolarHBondContact N-O 3.36Å; D244-T303 PolarHBondContact O-N 2.72Å; D244-T303 VanDerWaalsContact O-O 3.08Å; D244-Y305 HydrophobicContact CB-CD2 4.06Å; D244-Y305 HydrophobicContact CB-CE2 3.91Å
245R80Confident69.4Low60 Ų6054.8 Ų54.823%0.22632%0.32CS..PPolyproline II helixtrans-54.6142.2175.4-61.4-171.1-173.2-78.9-11.9111.5R103 H104 F108 P301 Y305R103-R245 PolarHBondContact O-NH2 2.7Å; H104-R245 PolarHBondContact O-NH2 2.71Å; F108-R245 HydrophobicContact CE2-CG 3.91Å; R245-P301 WeakPolarHBondContact CA-O 3.39Å; R245-Y305 WeakPolarHBondContact O-CE2 3.34Å; R245-Y305 PolarHBondContact O-OH 3.31Å
246A84.9Confident66.5Low7 Ų762.9 Ų62.96%0.05836%0.358CS..PPolyproline II helixtrans-67.8151.2174.800000110.2Q248 F297 R300 T303A246-Q248 PolarHBondContact O-N 3.37Å; A246-F297 HydrophobicContact CB-CD1 4.41Å; A246-R300 HydrophobicContact CB-CB 3.93Å; A246-R300 WeakPolarHBondContact CB-O 3.27Å; A246-T303 HydrophobicContact CB-CG2 4.12Å
247P86.9Confident63.6Low4 Ų468.8 Ų68.83%0.02639%0.394CS..PPolyproline II helixtrans-53.2130.9171.2-26.837.9000111V183 W287 V290 F297 Y305V183-P247 HydrophobicContact CG1-CG 4.16Å; P247-W287 HydrophobicContact CB-CB 4.17Å; P247-W287 HydrophobicContact CB-CD2 4.23Å; P247-W287 HydrophobicContact CB-CG 3.8Å; P247-W287 HydrophobicContact CG-CD2 4.06Å; P247-W287 HydrophobicContact CG-CG 4.17Å; P247-V290 HydrophobicContact CB-CG2 3.56Å; P247-F297 HydrophobicContact CG-CD1 4.27Å; P247-F297 HydrophobicContact CG-CE1 4.38Å; P247-F297 HydrophobicContact CG-CG 4.48Å; P247-Y305 WeakPolarHBondContact CD-OH 3.13Å; P247-Y305 WeakPolarHBondContact CG-OH 3.44Å
248Q78.7Confident61Low110 Ų11076 Ų7651%0.51443%0.425SS..PPolyproline II helixtrans-81.5131.3178.5-69.5-175.4-37.300110.6A246 N250 S284A246-Q248 PolarHBondContact O-N 3.37Å; Q248-N250 PolarHBondContact O-N 3.42Å; Q248-S284 PolarHBondContact OE1-OG 2.96Å
249V73.1Confident58.7Low24 Ų2481.3 Ų81.315%0.14545%0.454CS..  trans-87.4103.3169.8-177.60000107.3S251 V290 E291 D298V249-S251 PolarHBondContact O-N 2.97Å; V249-S251 VanDerWaalsContact O-N 3.16Å; V249-V290 HydrophobicContact CG2-CG1 4.34Å; V249-V290 HydrophobicContact CG2-CG2 4Å; V249-E291 HydrophobicContact CG1-CB 4.11Å; V249-D298 HydrophobicContact CB-CB 4.5Å; V249-D298 HydrophobicContact CG2-CB 4.21Å
250N62.6Low56.4Low104 Ų10486 Ų8656%0.55648%0.478SS*.  trans-76.6102.4174.8-71.1-22.7000108.7Q248 A252Q248-N250 PolarHBondContact O-N 3.42Å; N250-A252 PolarHBondContact O-N 3.24Å
251S49Very low54.4Low119 Ų11990.9 Ų90.983%0.83250%0.498SS*.  trans-72.131.1179.233.70000114.5V249V249-S251 PolarHBondContact O-N 2.97Å; V249-S251 VanDerWaalsContact O-N 3.16Å
252A39Very low52.1Low78 Ų7898 Ų9865%0.64552%0.524SS*.  trans-113.517.6-161.500000117.1N250N250-A252 PolarHBondContact O-N 3.24Å
253N35.2Very low49.8Very low150 Ų150104.6 Ų104.680%0.80256%0.56SS**  trans-131.710.3-179-84.5-14.3000117.5S255N253-S255 VanDerWaalsContact C-N 3.34Å; N253-S255 PolarHBondContact O-N 2.91Å
254D34.4Very low47.5Very low176 Ų176112.1 Ų112.194%0.94160%0.595SS**  trans-90.128178.5-86.9-14.3000115.1
255S30.4Very low45.2Very low102 Ų102121.7 Ų121.771%0.71364%0.637SS**  trans-111.930.3177.771.80000114.8N253N253-S255 VanDerWaalsContact C-N 3.34Å; N253-S255 PolarHBondContact O-N 2.91Å
256H29.4Very low42.8Very low176 Ų176125 Ų12582%0.81566%0.659SS**  trans-130.682.7167.9-77.9-51.6000110.1
257V30Very low40.2Very low124 Ų124131.6 Ų131.675%0.75269%0.693SS**SBendtrans-178.1122.3139.5164.20000106.8
258H27.1Very low37.6Very low166 Ų166136.4 Ų136.477%0.76973%0.733SS**  trans73.590.9174.4-62.3-53.9000118.8
259N30.4Very low35.1Very low156 Ų156139.5 Ų139.583%0.83475%0.752SS**  179.5125104.1-93-22.4000110.9
260D27.3Very low33.2Very low143 Ų143144 Ų14477%0.76578%0.784SS**  trans-53132.2161.7-58.9-55.4000109.6
261N30.8Very low31.5Very low128 Ų128144.8 Ų144.868%0.68480%0.799SS**  trans143.9131.4133.9-79.6-39.2000116.4
262Y31.3Very low30.6Very low205 Ų205142.5 Ų142.580%0.80479%0.793SS**  trans66.2100149.4-62.5-65.1000121.2
263N28.6Very low29.9Very low147 Ų147148.4 Ų148.479%0.78681%0.808SS**  10.3144.5124.5-76.9-14.3000121.2
264E29.1Very low29.6Very low165 Ų165148.8 Ų148.877%0.77181%0.808SS**  trans78.5112.6152.8-74.1174.8171.600117.8
265F31.8Very low29.2Very low212 Ų212144.6 Ų144.693%0.9379%0.793SS**  -164.3134.4112.6-110.4-80.6000111.9
266N29.8Very low28.9Very low130 Ų130149.2 Ų149.270%0.69580%0.803SS**  trans-84148.7-173.7-83.5-58.1000114
267N28.8Very low28.7Very low144 Ų144148.6 Ų148.677%0.7780%0.798SS**  trans48120.9135.4-63.2-28000121.6
268A32.6Very low28.3Very low105 Ų105148.5 Ų148.587%0.86880%0.803SS**  -157.3113.4125.800000111.2
269L26.9Very low28.4Very low175 Ų175148 Ų14892%0.91680%0.801SS**  trans-83.5134.9167.6-91.3139.7000109.7
270S32.8Very low28.1Very low118 Ų118150.2 Ų150.283%0.82580%0.803SS**  trans-139.6128.2146.888.80000111.1
271S26.9Very low28.1Very low122 Ų122150 Ų15085%0.85381%0.807SS**  trans-50.7136-177.950.70000116.7
272G29.3Very low28.4Very low70 Ų70150 Ų15072%0.72281%0.812SS**  trans-155.1112.1160.100000109.6I274G272-I274 PolarHBondContact O-N 3.16Å
273Q24.7Very low28.7Very low202 Ų202149 Ų14994%0.94482%0.815SS**  trans-54.2121.8-176.4-65.6167.3-36.800112.4
274I28.7Very low29.8Very low159 Ų159144.8 Ų144.882%0.81580%0.796SS**  trans-132.7119.9160.2-59.5180000108.2G272G272-I274 PolarHBondContact O-N 3.16Å
275S26.5Very low31.6Very low88 Ų88140.5 Ų140.562%0.61578%0.775SS**  trans-41.8129.6-17949.50000114.6F277S275-F277 PolarHBondContact O-N 2.9Å
276Q23.3Very low33.7Very low199 Ų199134.8 Ų134.893%0.9376%0.76SS**  trans-59.798.2162.8-72.2174.5-25.100110.3
277F25.4Very low36.5Very low162 Ų162129.1 Ų129.171%0.71173%0.729SS**  trans-105.6103.4154.6-94.2-83.7000107.9S275 H279S275-F277 PolarHBondContact O-N 2.9Å; F277-H279 PolarHBondContact O-N 3.5Å
278S23Very low39.2Very low123 Ų123124.8 Ų124.886%0.8671%0.709SS**  trans-71.474.2172.247.70000110.5K280S278-K280 PolarHBondContact O-N 3.19Å
279H27.8Very low41.7Very low154 Ų154120.2 Ų120.271%0.71367%0.672SS**  trans-78.5114164.6-80.6-68.1000108.7F277 T281F277-H279 PolarHBondContact O-N 3.5Å; H279-T281 PolarHBondContact O-N 2.81Å
280K25.5Very low44.5Very low204 Ų204112.1 Ų112.189%0.88763%0.63SS**  trans-49.2104.8163.5-78.3178.3174.3178.50108S278 T282S278-K280 PolarHBondContact O-N 3.19Å; K280-T282 PolarHBondContact O-N 3.35Å
281T27.3Very low46.9Very low137 Ų137111.1 Ų111.184%0.8461%0.612SS**  trans-61.7102.8170.66.10000107.5H279 Q283H279-T281 PolarHBondContact O-N 2.81Å; T281-Q283 PolarHBondContact O-N 2.99Å
282T35.8Very low49.5Very low129 Ų129113.9 Ų113.979%0.79161%0.605SS**  trans-56.1108.4163-30000106.1K280 S284K280-T282 PolarHBondContact O-N 3.35Å; T282-S284 PolarHBondContact O-N 3.45Å
283Q37.5Very low51.9Low185 Ų185112.3 Ų112.386%0.86458%0.578SS**  trans-52111.4172.5-87.1177.8-24.200107.8T281 K285T281-Q283 PolarHBondContact O-N 2.99Å; Q283-K285 PolarHBondContact O-N 3.26Å
284S53.2Low54.2Low57 Ų57105.1 Ų105.140%0.39955%0.55SS.*PPolyproline II helixtrans-55.1120.9175.2-170.90000108Q248 T282 C286Q248-S284 PolarHBondContact OE1-OG 2.96Å; T282-S284 PolarHBondContact O-N 3.45Å; S284-C286 PolarHBondContact O-N 3.36Å
285K66.4Low56.2Low76 Ų76104.8 Ų104.833%0.3355%0.545SS..PPolyproline II helixtrans-62.5126.9-179.2-72-171.7-177.2-175.50109.1D144 I146 Q283 W287D144-K285 VanDerWaalsContact O-CE 3.24Å; D144-K285 WeakPolarHBondContact O-CE 3.39Å; D144-K285 PolarHBondContact O-NZ 3.31Å; I146-K285 WeakPolarHBondContact O-CD 3.43Å; I146-K285 PolarHBondContact O-NZ 2.95Å; Q283-K285 PolarHBondContact O-N 3.26Å; K285-W287 VanDerWaalsContact O-CD1 3.32Å; K285-W287 PolarHBondContact O-N 3.35Å
286C76.6Confident58.5Low91 Ų91100.7 Ų100.762%0.61552%0.517SS*.PPolyproline II helixtrans-71.4126.6177-170.70000109.8S284 P288S284-C286 PolarHBondContact O-N 3.36Å; C286-P288 WeakPolarHBondContact O-CD 3.44Å
287W87.5Confident61.2Low12 Ų1291.3 Ų91.35%0.04547%0.473CS..  trans-97.6107.1170.7-72.575.6000107.5I146 P148 W161 V181 V183 P247 K285 G289 V290 Y305I146-W287 HydrophobicContact CG2-CH2 4.29Å; P148-W287 HydrophobicContact CB-CD2 3.99Å; P148-W287 HydrophobicContact CB-CE3 3.87Å; P148-W287 HydrophobicContact CB-CG 4.42Å; P148-W287 HydrophobicContact CB-CZ3 4.21Å; P148-W287 HydrophobicContact CG-CD2 3.46Å; P148-W287 VanDerWaalsContact CG-CD2 3.46Å; P148-W287 VanDerWaalsContact CG-CE2 3.44Å; P148-W287 HydrophobicContact CG-CE3 3.71Å; P148-W287 HydrophobicContact CG-CG 3.98Å; P148-W287 HydrophobicContact CG-CH2 3.88Å; P148-W287 HydrophobicContact CG-CZ2 3.67Å; P148-W287 HydrophobicContact CG-CZ3 3.92Å; W161-W287 HydrophobicContact CB-CE3 4.42Å; W161-W287 HydrophobicContact CB-CZ3 4.28Å; W161-W287 AromaticContact CD2-CE3 3.61Å; W161-W287 HydrophobicContact CD2-CE3 3.61Å; W161-W287 AromaticContact CD2-CZ3 3.97Å; W161-W287 HydrophobicContact CD2-CZ3 3.97Å; W161-W287 AromaticContact CE2-CE3 3.97Å; W161-W287 AromaticContact CE3-CE3 3.79Å; W161-W287 HydrophobicContact CE3-CE3 3.79Å; W161-W287 AromaticContact CE3-CZ3 3.81Å; W161-W287 HydrophobicContact CE3-CZ3 3.81Å; W161-W287 AromaticContact CG-CE3 3.91Å; W161-W287 HydrophobicContact CG-CE3 3.91Å; W161-W287 HydrophobicContact CG-CZ3 4.2Å; W161-W287 HydrophobicContact CH2-CE3 4.49Å; W161-W287 HydrophobicContact CZ2-CE3 4.4Å; W161-W287 HydrophobicContact CZ3-CE3 4.25Å; W161-W287 HydrophobicContact CZ3-CZ3 4.42Å; V181-W287 HydrophobicContact CG1-CH2 4.07Å; V181-W287 HydrophobicContact CG1-CZ3 4.33Å; V183-W287 HydrophobicContact CG2-CE3 4.46Å; V183-W287 HydrophobicContact CG2-CH2 4.1Å; V183-W287 HydrophobicContact CG2-CZ3 3.77Å; P247-W287 HydrophobicContact CB-CB 4.17Å; P247-W287 HydrophobicContact CB-CD2 4.23Å; P247-W287 HydrophobicContact CB-CG 3.8Å; P247-W287 HydrophobicContact CG-CD2 4.06Å; P247-W287 HydrophobicContact CG-CG 4.17Å; K285-W287 VanDerWaalsContact O-CD1 3.32Å; K285-W287 PolarHBondContact O-N 3.35Å; W287-G289 PolarHBondContact O-N 3.21Å; W287-V290 HydrophobicContact CB-CB 4Å; W287-V290 HydrophobicContact CB-CG1 4.43Å; W287-V290 HydrophobicContact CB-CG2 4.45Å; W287-V290 VanDerWaalsContact O-CB 3.26Å; W287-V290 WeakPolarHBondContact O-CB 3.25Å; W287-V290 VanDerWaalsContact O-CG1 3.23Å; W287-V290 WeakPolarHBondContact O-CG1 3.27Å; W287-V290 PolarHBondContact O-N 2.83Å; W287-V290 VanDerWaalsContact O-N 3.16Å; W287-Y305 AromaticContact CH2-CD1 3.98Å; W287-Y305 HydrophobicContact CH2-CD1 3.98Å; W287-Y305 AromaticContact CH2-CE1 3.44Å; W287-Y305 HydrophobicContact CH2-CE1 3.44Å; W287-Y305 VanDerWaalsContact CH2-CE1 3.44Å; W287-Y305 HydrophobicContact CZ2-CD1 4.36Å; W287-Y305 AromaticContact CZ2-CE1 3.49Å; W287-Y305 HydrophobicContact CZ2-CE1 3.49Å; W287-Y305 VanDerWaalsContact CZ2-CE1 3.49Å; W287-Y305 HydrophobicContact CZ3-CE1 4.29Å
288P86.3Confident63.3Low53 Ų5386.4 Ų86.434%0.34445%0.454SS..THydrogen-bonded Turntrans-61.2132.5-172.9-29.841.4000112.4K149 W161 C286 V290K149-P288 WeakPolarHBondContact O-CD 3.49Å; K149-P288 WeakPolarHBondContact O-CG 3.48Å; W161-P288 PolarHBondContact NE1-O 2.99Å; C286-P288 WeakPolarHBondContact O-CD 3.44Å; P288-V290 VanDerWaalsContact C-N 3.28Å; P288-V290 PolarHBondContact O-N 2.87Å
289G83.8Confident65.3Low9 Ų985.2 Ų85.29%0.09344%0.438CS..THydrogen-bonded Turntrans74.511.5-179.700000114.7W287 E291 Y292 F293W287-G289 PolarHBondContact O-N 3.21Å; G289-E291 VanDerWaalsContact C-OE2 3.3Å; G289-E291 WeakPolarHBondContact CA-OE2 3.31Å; G289-E291 PolarHBondContact N-OE2 3.26Å; G289-E291 PolarHBondContact O-N 2.97Å; G289-Y292 VanDerWaalsContact O-CD2 3.31Å; G289-Y292 WeakPolarHBondContact O-CD2 3.39Å; G289-Y292 PolarHBondContact O-N 3.1Å; G289-F293 VanDerWaalsContact O-CD2 3.26Å; G289-F293 WeakPolarHBondContact O-CD2 3.18Å; G289-F293 VanDerWaalsContact O-CE2 3.31Å; G289-F293 WeakPolarHBondContact O-CE2 3.44Å
290V85.9Confident67.4Low4 Ų480 Ų802%0.02441%0.412CS..G310 helixtrans-61.3-30.3177.4680000112.3P247 V249 W287 P288 Y292 F293 F297P247-V290 HydrophobicContact CB-CG2 3.56Å; V249-V290 HydrophobicContact CG2-CG1 4.34Å; V249-V290 HydrophobicContact CG2-CG2 4Å; W287-V290 HydrophobicContact CB-CB 4Å; W287-V290 HydrophobicContact CB-CG1 4.43Å; W287-V290 HydrophobicContact CB-CG2 4.45Å; W287-V290 VanDerWaalsContact O-CB 3.26Å; W287-V290 WeakPolarHBondContact O-CB 3.25Å; W287-V290 VanDerWaalsContact O-CG1 3.23Å; W287-V290 WeakPolarHBondContact O-CG1 3.27Å; W287-V290 PolarHBondContact O-N 2.83Å; W287-V290 VanDerWaalsContact O-N 3.16Å; P288-V290 VanDerWaalsContact C-N 3.28Å; P288-V290 PolarHBondContact O-N 2.87Å; V290-Y292 PolarHBondContact O-N 2.74Å; V290-F293 CarbonylContact O-C 3.57Å; V290-F293 PolarHBondContact O-N 3.41Å; V290-F297 HydrophobicContact CG2-CB 4.44Å; V290-F297 HydrophobicContact CG2-CD2 3.85Å; V290-F297 HydrophobicContact CG2-CG 4.42Å
291E83.3Confident69.4Low98 Ų9871 Ų7146%0.45837%0.374SS..G310 helixtrans-58.1-29.7177.760.6-83.8-167.100113.3V249 G289 F293V249-E291 HydrophobicContact CG1-CB 4.11Å; G289-E291 VanDerWaalsContact C-OE2 3.3Å; G289-E291 WeakPolarHBondContact CA-OE2 3.31Å; G289-E291 PolarHBondContact N-OE2 3.26Å; G289-E291 PolarHBondContact O-N 2.97Å; E291-F293 PolarHBondContact O-N 3.22Å
292Y81.5Confident71.8Confident180 Ų18064.7 Ų64.771%0.70634%0.335SS*.G310 helixtrans-69.8-10.5175.4-59.4-58.9000113.3G289 V290G289-Y292 VanDerWaalsContact O-CD2 3.31Å; G289-Y292 WeakPolarHBondContact O-CD2 3.39Å; G289-Y292 PolarHBondContact O-N 3.1Å; V290-Y292 PolarHBondContact O-N 2.74Å
293F79.6Confident74.1Confident37 Ų3758.5 Ų58.516%0.16230%0.298CS..G310 helixtrans-127.131.2-173.7-48.9-67.6000112F151 A154 A159 Y185 G289 V290 E291 E295 G296 F297F151-F293 AromaticContact CD2-CE2 3.94Å; F151-F293 HydrophobicContact CD2-CE2 3.94Å; F151-F293 HydrophobicContact CD2-CZ 4.37Å; F151-F293 HydrophobicContact CE1-CZ 4.39Å; F151-F293 AromaticContact CE2-CE2 3.39Å; F151-F293 HydrophobicContact CE2-CE2 3.39Å; F151-F293 AromaticContact CE2-CZ 3.45Å; F151-F293 HydrophobicContact CE2-CZ 3.45Å; F151-F293 VanDerWaalsContact CE2-CZ 3.45Å; F151-F293 AromaticContact CZ-CE2 3.87Å; F151-F293 HydrophobicContact CZ-CE2 3.87Å; F151-F293 AromaticContact CZ-CZ 3.45Å; F151-F293 HydrophobicContact CZ-CZ 3.45Å; F151-F293 VanDerWaalsContact CZ-CZ 3.45Å; A154-F293 HydrophobicContact CB-CD1 4.35Å; A154-F293 HydrophobicContact CB-CE1 3.43Å; A154-F293 VanDerWaalsContact CB-CE1 3.43Å; A154-F293 HydrophobicContact CB-CZ 3.58Å; A159-F293 HydrophobicContact CB-CD2 4.24Å; A159-F293 HydrophobicContact CB-CE2 4.35Å; Y185-F293 HydrophobicContact CE1-CB 3.83Å; Y185-F293 HydrophobicContact CE1-CD1 4.2Å; Y185-F293 HydrophobicContact CE1-CG 4.08Å; Y185-F293 AromaticContact CZ-CD1 3.87Å; Y185-F293 WeakPolarHBondContact OH-CD1 3Å; Y185-F293 WeakPolarHBondContact OH-CE1 3.32Å; G289-F293 VanDerWaalsContact O-CD2 3.26Å; G289-F293 WeakPolarHBondContact O-CD2 3.18Å; G289-F293 VanDerWaalsContact O-CE2 3.31Å; G289-F293 WeakPolarHBondContact O-CE2 3.44Å; V290-F293 CarbonylContact O-C 3.57Å; V290-F293 PolarHBondContact O-N 3.41Å; E291-F293 PolarHBondContact O-N 3.22Å; F293-E295 PolarHBondContact O-N 3.41Å; F293-G296 PolarHBondContact O-N 2.74Å; F293-F297 HydrophobicContact CB-CD2 3.75Å; F293-F297 HydrophobicContact CB-CE2 3.7Å; F293-F297 HydrophobicContact CG-CE2 4.41Å; F293-F297 WeakPolarHBondContact O-CD2 3.35Å; F293-F297 PolarHBondContact O-N 2.67Å
294S73Confident76.3Confident50 Ų5050.5 Ų50.535%0.3526%0.26SS..Hα-helixtrans-52.4-40179.958.50000112.5G296 F297 D298S294-G296 PolarHBondContact O-N 2.87Å; S294-G296 VanDerWaalsContact O-N 3.09Å; S294-F297 PolarHBondContact O-N 3.41Å; S294-D298 WeakPolarHBondContact O-CA 3.45Å; S294-D298 WeakPolarHBondContact O-CB 3.48Å; S294-D298 PolarHBondContact O-N 3.01Å
295E70.6Confident78Confident153 Ų15347.9 Ų47.972%0.71524%0.241SC*.Hα-helixtrans-56.3-32.7178.2-62.1-177.7174.300113.9F293 R300F293-E295 PolarHBondContact O-N 3.41Å; E295-R300 PolarHBondContact O-NH2 2.78Å
296G74.9Confident79Confident2 Ų244.3 Ų44.32%0.02123%0.226CC..Hα-helixtrans-93-18.8-178.400000115.1N186 F293 S294N186-G296 CarbonylContact C-O 3.51Å; N186-G296 WeakPolarHBondContact CA-O 3.41Å; N186-G296 PolarHBondContact N-O 3.23Å; N186-G296 CarbonylContact O-C 2.96Å; N186-G296 VanDerWaalsContact O-O 3.12Å; F293-G296 PolarHBondContact O-N 2.74Å; S294-G296 PolarHBondContact O-N 2.87Å; S294-G296 VanDerWaalsContact O-N 3.09Å
297F80.3Confident79.5Confident2 Ų240.1 Ų40.11%0.00920%0.197CC..Hα-helixtrans-129.7-28.3-174.7-57.3-56.7000114.7A159 W161 V183 L184 Y185 A246 P247 V290 F293 S294 N299 R300A159-F297 HydrophobicContact CB-CE2 4.26Å; A159-F297 HydrophobicContact CB-CZ 4.26Å; W161-F297 AromaticContact CH2-CE2 3.68Å; W161-F297 HydrophobicContact CH2-CE2 3.68Å; W161-F297 AromaticContact CH2-CZ 3.8Å; W161-F297 HydrophobicContact CH2-CZ 3.8Å; W161-F297 HydrophobicContact CZ3-CZ 4.28Å; V183-F297 HydrophobicContact CB-CE1 4.16Å; V183-F297 HydrophobicContact CB-CZ 4.16Å; V183-F297 HydrophobicContact CG1-CE1 3.68Å; V183-F297 HydrophobicContact CG1-CZ 4.18Å; L184-F297 WeakPolarHBondContact O-CE1 3.29Å; Y185-F297 HydrophobicContact CD1-CD2 4.39Å; Y185-F297 AromaticContact CD1-CE1 3.89Å; Y185-F297 HydrophobicContact CD1-CE1 3.89Å; Y185-F297 AromaticContact CD1-CE2 3.69Å; Y185-F297 HydrophobicContact CD1-CE2 3.69Å; Y185-F297 AromaticContact CD1-CZ 3.41Å; Y185-F297 HydrophobicContact CD1-CZ 3.41Å; Y185-F297 VanDerWaalsContact CD1-CZ 3.41Å; Y185-F297 HydrophobicContact CE1-CD2 4.43Å; Y185-F297 HydrophobicContact CE1-CE1 4.46Å; Y185-F297 AromaticContact CE1-CE2 3.52Å; Y185-F297 HydrophobicContact CE1-CE2 3.52Å; Y185-F297 AromaticContact CE1-CZ 3.54Å; Y185-F297 HydrophobicContact CE1-CZ 3.54Å; A246-F297 HydrophobicContact CB-CD1 4.41Å; P247-F297 HydrophobicContact CG-CD1 4.27Å; P247-F297 HydrophobicContact CG-CE1 4.38Å; P247-F297 HydrophobicContact CG-CG 4.48Å; V290-F297 HydrophobicContact CG2-CB 4.44Å; V290-F297 HydrophobicContact CG2-CD2 3.85Å; V290-F297 HydrophobicContact CG2-CG 4.42Å; F293-F297 HydrophobicContact CB-CD2 3.75Å; F293-F297 HydrophobicContact CB-CE2 3.7Å; F293-F297 HydrophobicContact CG-CE2 4.41Å; F293-F297 WeakPolarHBondContact O-CD2 3.35Å; F293-F297 PolarHBondContact O-N 2.67Å; S294-F297 PolarHBondContact O-N 3.41Å; F297-N299 PolarHBondContact O-N 3.31Å; F297-R300 VanDerWaalsContact O-CB 3.3Å; F297-R300 WeakPolarHBondContact O-CB 3.44Å; F297-R300 WeakPolarHBondContact O-CG 3.35Å; F297-R300 PolarHBondContact O-N 3.04Å
298D69.6Low79.4Confident59 Ų5939.9 Ų39.932%0.31620%0.197SC..THydrogen-bonded Turntrans-65.1133.6-173.8-173.236000111.8V249 S294 R300V249-D298 HydrophobicContact CB-CB 4.5Å; V249-D298 HydrophobicContact CG2-CB 4.21Å; S294-D298 WeakPolarHBondContact O-CA 3.45Å; S294-D298 WeakPolarHBondContact O-CB 3.48Å; S294-D298 PolarHBondContact O-N 3.01Å; D298-R300 WeakPolarHBondContact O-CG 3.3Å; D298-R300 PolarHBondContact O-N 2.86Å; D298-R300 PolarHBondContact O-NH1 3.11Å
299N65Low79.2Confident97 Ų9737.9 Ų37.952%0.51918%0.184SC..THydrogen-bonded Turntrans53.315.3-170.5-64.5-63.7000113.7N190 F297N190-N299 HydrophobicContact CB-CB 3.86Å; N190-N299 WeakPolarHBondContact CB-O 3.3Å; N190-N299 PolarHBondContact ND2-O 3.14Å; F297-N299 PolarHBondContact O-N 3.31Å
300R72.2Confident79.3Confident45 Ų4541 Ų4117%0.1719%0.193CC..  trans-87.2131.6-178.8-54.1-55.1-176.1-130.87.7110.6N186 Y188 A246 E295 F297 D298 Y302N186-R300 HydrophobicContact CB-CB 4.09Å; N186-R300 HydrophobicContact CB-CG 4Å; N186-R300 VanDerWaalsContact O-CD 3.28Å; N186-R300 WeakPolarHBondContact O-CD 3.37Å; N186-R300 VanDerWaalsContact O-CG 3.3Å; N186-R300 WeakPolarHBondContact O-CG 3.36Å; N186-R300 PolarHBondContact O-NE 3.02Å; Y188-R300 WeakPolarHBondContact O-CD 3.33Å; Y188-R300 PolarHBondContact O-NE 2.98Å; Y188-R300 PolarHBondContact O-NH1 3.28Å; Y188-R300 PolarHBondContact O-NH2 2.95Å; A246-R300 HydrophobicContact CB-CB 3.93Å; A246-R300 WeakPolarHBondContact CB-O 3.27Å; E295-R300 PolarHBondContact O-NH2 2.78Å; F297-R300 VanDerWaalsContact O-CB 3.3Å; F297-R300 WeakPolarHBondContact O-CB 3.44Å; F297-R300 WeakPolarHBondContact O-CG 3.35Å; F297-R300 PolarHBondContact O-N 3.04Å; D298-R300 WeakPolarHBondContact O-CG 3.3Å; D298-R300 PolarHBondContact O-N 2.86Å; D298-R300 PolarHBondContact O-NH1 3.11Å; R300-Y302 PolarHBondContact O-N 2.81Å
301P68.1Low79.4Confident14 Ų1441.1 Ų41.19%0.09119%0.193CC..  trans-74.8-27.3-173.527.7-34000113.2R97 S101 R245R97-P301 HydrophobicContact CG-CG 4.11Å; S101-P301 VanDerWaalsContact OG-CB 3.3Å; S101-P301 WeakPolarHBondContact OG-CB 3.48Å; R245-P301 WeakPolarHBondContact CA-O 3.39Å
302Y77.7Confident79.7Confident5 Ų540.6 Ų40.62%0.0219%0.19CC..  trans-162.9161.8-177.856-88.9000113.2A91 R97 N186 W213 I243 D244 R300A91-Y302 PolarHBondContact O-OH 3.25Å; R97-Y302 HydrophobicContact CB-CE1 4.23Å; R97-Y302 HydrophobicContact CG-CE1 4.35Å; N186-Y302 PolarHBondContact ND2-O 3.35Å; W213-Y302 HydrophobicContact CH2-CD2 4.09Å; W213-Y302 HydrophobicContact CH2-CE1 4Å; W213-Y302 AromaticContact CH2-CE2 3.13Å; W213-Y302 HydrophobicContact CH2-CE2 3.13Å; W213-Y302 AromaticContact CH2-CZ 3.08Å; W213-Y302 WeakPolarHBondContact CH2-OH 3.38Å; W213-Y302 HydrophobicContact CZ2-CE1 4.43Å; W213-Y302 HydrophobicContact CZ2-CE2 4.16Å; W213-Y302 AromaticContact CZ2-CZ 3.67Å; W213-Y302 WeakPolarHBondContact CZ2-OH 3.46Å; W213-Y302 HydrophobicContact CZ3-CD2 4.41Å; W213-Y302 AromaticContact CZ3-CE2 3.47Å; W213-Y302 HydrophobicContact CZ3-CE2 3.47Å; W213-Y302 VanDerWaalsContact CZ3-CE2 3.47Å; W213-Y302 AromaticContact CZ3-CZ 3.86Å; I243-Y302 HydrophobicContact CD1-CD2 3.54Å; I243-Y302 HydrophobicContact CD1-CE2 3.83Å; I243-Y302 HydrophobicContact CD1-CG 4.5Å; I243-Y302 HydrophobicContact CG1-CD2 3.98Å; D244-Y302 CarbonylContact O-C 3.52Å; D244-Y302 WeakPolarHBondContact O-CA 3.4Å; D244-Y302 WeakPolarHBondContact O-CB 3.27Å; R300-Y302 PolarHBondContact O-N 2.81Å
303T83Confident80.2Confident0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-155.4176.2174.7-167.40000111.4V183 L184 I243 D244 A246 Y305V183-T303 HydrophobicContact CG1-CG2 3.32Å; L184-T303 PolarHBondContact O-OG1 2.81Å; I243-T303 WeakPolarHBondContact CA-O 3.45Å; I243-T303 WeakPolarHBondContact CG1-O 3.09Å; D244-T303 PolarHBondContact N-O 3.36Å; D244-T303 PolarHBondContact O-N 2.72Å; D244-T303 VanDerWaalsContact O-O 3.08Å; A246-T303 HydrophobicContact CB-CG2 4.12Å; T303-Y305 HydrophobicContact CG2-CD2 4.38Å; T303-Y305 HydrophobicContact CG2-CE2 3.82Å
304F84.6Confident80.9Confident16 Ų1632 Ų327%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-92.4136.8174.2-71.1-78.3000111.9V183 L184 L216 H217 I220 F242 I243V183-F304 WeakPolarHBondContact CA-O 3.5Å; L184-F304 HydrophobicContact CB-CB 4.48Å; L184-F304 HydrophobicContact CD1-CB 3.93Å; L184-F304 HydrophobicContact CD1-CD2 4.38Å; L184-F304 HydrophobicContact CG-CB 4.15Å; L184-F304 PolarHBondContact N-O 2.99Å; L216-F304 HydrophobicContact CD1-CD2 4.18Å; L216-F304 HydrophobicContact CD2-CD2 4.16Å; L216-F304 HydrophobicContact CD2-CE2 4.29Å; L216-F304 HydrophobicContact CG-CD2 3.96Å; L216-F304 HydrophobicContact CG-CE2 4.15Å; H217-F304 AromaticContact CE1-CZ 3.99Å; I220-F304 HydrophobicContact CB-CD2 4.27Å; I220-F304 HydrophobicContact CB-CE2 4.48Å; I220-F304 HydrophobicContact CB-CG 4.41Å; I220-F304 HydrophobicContact CD1-CB 4.11Å; I220-F304 HydrophobicContact CD1-CD1 4.35Å; I220-F304 HydrophobicContact CD1-CG 4.2Å; I220-F304 HydrophobicContact CG1-CD1 4.11Å; I220-F304 HydrophobicContact CG1-CD2 4.47Å; I220-F304 HydrophobicContact CG1-CE1 4.43Å; I220-F304 HydrophobicContact CG1-CG 4.13Å; I220-F304 HydrophobicContact CG2-CD2 4.39Å; I220-F304 HydrophobicContact CG2-CE2 4.1Å; I220-F304 HydrophobicContact CG2-CZ 4.26Å; F242-F304 WeakPolarHBondContact O-CA 3.28Å; I243-F304 HydrophobicContact CB-CD1 3.98Å; I243-F304 HydrophobicContact CB-CE1 3.85Å; I243-F304 HydrophobicContact CD1-CE1 4.19Å; I243-F304 HydrophobicContact CD1-CE2 4.5Å; I243-F304 HydrophobicContact CD1-CZ 4.04Å; I243-F304 HydrophobicContact CG1-CD1 4.4Å; I243-F304 HydrophobicContact CG1-CE1 4.25Å
305Y88.5Confident82Confident2 Ų229.6 Ų29.61%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-109.8134.5172.1-69.6-96.5000109.2A143 V181 V183 H241 F242 D244 R245 P247 W287 T303A143-Y305 HydrophobicContact CB-CE1 4.24Å; A143-Y305 HydrophobicContact CB-CE2 4.2Å; V181-Y305 HydrophobicContact CG1-CD1 3.89Å; V183-Y305 HydrophobicContact CB-CD1 4.4Å; V183-Y305 HydrophobicContact CB-CE1 4.27Å; V183-Y305 HydrophobicContact CG1-CD1 4.09Å; V183-Y305 HydrophobicContact CG1-CE1 3.72Å; V183-Y305 HydrophobicContact CG1-CE2 4.3Å; V183-Y305 HydrophobicContact CG2-CD1 3.6Å; V183-Y305 HydrophobicContact CG2-CE1 3.49Å; V183-Y305 VanDerWaalsContact CG2-CE1 3.49Å; H241-Y305 CarbonylContact C-O 3.58Å; H241-Y305 WeakPolarHBondContact CA-O 3.45Å; H241-Y305 VanDerWaalsContact CB-O 3.3Å; H241-Y305 WeakPolarHBondContact CB-O 3.49Å; F242-Y305 HydrophobicContact CD2-CD2 4.24Å; F242-Y305 HydrophobicContact CD2-CG 4.41Å; F242-Y305 AromaticContact CE2-CD2 3.71Å; F242-Y305 HydrophobicContact CE2-CD2 3.71Å; F242-Y305 AromaticContact CE2-CG 3.71Å; F242-Y305 HydrophobicContact CE2-CG 3.71Å; F242-Y305 HydrophobicContact CZ-CD1 4.37Å; F242-Y305 HydrophobicContact CZ-CD2 4.3Å; F242-Y305 AromaticContact CZ-CG 3.82Å; F242-Y305 HydrophobicContact CZ-CG 3.82Å; F242-Y305 PolarHBondContact N-O 2.91Å; F242-Y305 PolarHBondContact O-N 2.92Å; D244-Y305 HydrophobicContact CB-CD2 4.06Å; D244-Y305 HydrophobicContact CB-CE2 3.91Å; R245-Y305 WeakPolarHBondContact O-CE2 3.34Å; R245-Y305 PolarHBondContact O-OH 3.31Å; P247-Y305 WeakPolarHBondContact CD-OH 3.13Å; P247-Y305 WeakPolarHBondContact CG-OH 3.44Å; W287-Y305 AromaticContact CH2-CD1 3.98Å; W287-Y305 HydrophobicContact CH2-CD1 3.98Å; W287-Y305 AromaticContact CH2-CE1 3.44Å; W287-Y305 HydrophobicContact CH2-CE1 3.44Å; W287-Y305 VanDerWaalsContact CH2-CE1 3.44Å; W287-Y305 HydrophobicContact CZ2-CD1 4.36Å; W287-Y305 AromaticContact CZ2-CE1 3.49Å; W287-Y305 HydrophobicContact CZ2-CE1 3.49Å; W287-Y305 VanDerWaalsContact CZ2-CE1 3.49Å; W287-Y305 HydrophobicContact CZ3-CE1 4.29Å; T303-Y305 HydrophobicContact CG2-CD2 4.38Å; T303-Y305 HydrophobicContact CG2-CE2 3.82Å
306M87.1Confident83.1Confident1 Ų123.7 Ų23.71%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-123.7126.8175.2-65-179.1-69.800109.6V181 K182 L184 I220 E223 L238 H241V181-M306 CarbonylContact C-O 3.53Å; V181-M306 WeakPolarHBondContact CA-O 3.33Å; K182-M306 HydrophobicContact CB-CB 4.3Å; K182-M306 HydrophobicContact CB-CE 3.97Å; K182-M306 HydrophobicContact CD-CE 3.49Å; K182-M306 VanDerWaalsContact CD-CE 3.49Å; K182-M306 HydrophobicContact CG-CE 3.53Å; K182-M306 PolarHBondContact N-O 3.23Å; K182-M306 PolarHBondContact O-N 3.47Å; L184-M306 HydrophobicContact CD2-CE 3.51Å; L184-M306 HydrophobicContact CG-CE 4.09Å; I220-M306 HydrophobicContact CD1-CG 3.98Å; I220-M306 HydrophobicContact CD1-SD 3.74Å; E223-M306 HydrophobicContact CB-CE 4.31Å; E223-M306 HydrophobicContact CB-SD 3.7Å; E223-M306 HydrophobicContact CG-CE 4.18Å; E223-M306 HydrophobicContact CG-SD 4.23Å; L238-M306 HydrophobicContact CD2-CB 4Å; L238-M306 HydrophobicContact CD2-CG 4.41Å; L238-M306 HydrophobicContact CD2-SD 4.33Å; H241-M306 HydrophobicContact CB-CG 3.93Å
307L86.3Confident83.9Confident3 Ų326 Ų262%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-99.1127.6-179.1-56-179.4000109.4A140 I146 V181 V239 G240 F242A140-L307 HydrophobicContact CB-CD1 4.05Å; I146-L307 HydrophobicContact CD1-CD2 3.72Å; V181-L307 HydrophobicContact CB-CD2 4.43Å; V181-L307 HydrophobicContact CG1-CD2 4.11Å; V181-L307 HydrophobicContact CG2-CD2 3.7Å; V239-L307 HydrophobicContact CB-CB 4.14Å; V239-L307 WeakPolarHBondContact CB-O 3.42Å; V239-L307 PolarHBondContact N-O 3.12Å; G240-L307 PolarHBondContact O-N 3.36Å; F242-L307 HydrophobicContact CE1-CD1 4.21Å; F242-L307 HydrophobicContact CE1-CD2 4.32Å; F242-L307 HydrophobicContact CE1-CG 4.28Å
308M85.6Confident84.4Confident8 Ų825.9 Ų25.94%0.03913%0.129CC..EExtended strand (participates in β ladder)trans-134.5156-179.1-67.1174.2-6500110.1L179 A180 K182 V236 L238L179-M308 WeakPolarHBondContact CA-O 3.39Å; L179-M308 WeakPolarHBondContact CD2-O 3.2Å; A180-M308 HydrophobicContact CB-CB 4.4Å; A180-M308 PolarHBondContact N-O 2.78Å; A180-M308 PolarHBondContact O-N 3.4Å; K182-M308 HydrophobicContact CB-CE 3.51Å; K182-M308 HydrophobicContact CD-CE 4.22Å; K182-M308 HydrophobicContact CG-CE 4.49Å; V236-M308 HydrophobicContact CG1-CB 4Å; V236-M308 HydrophobicContact CG1-CG 4.07Å; V236-M308 HydrophobicContact CG1-SD 3.91Å; L238-M308 HydrophobicContact CD2-CG 3.85Å; L238-M308 HydrophobicContact CD2-SD 4.26Å
309P82.6Confident85.5Confident11 Ų1124.2 Ų24.27%0.07112%0.12CC..EExtended strand (participates in β ladder)trans-59.8140.5168.8-16.429.8000110.6Y132 L135 P237 V239 F311Y132-P309 HydrophobicContact CD1-CB 4.4Å; Y132-P309 HydrophobicContact CD1-CG 4.04Å; Y132-P309 HydrophobicContact CE1-CB 3.54Å; Y132-P309 HydrophobicContact CE1-CG 3.26Å; Y132-P309 HydrophobicContact CE2-CG 4.03Å; Y132-P309 WeakPolarHBondContact OH-CG 3.36Å; L135-P309 HydrophobicContact CD1-CB 4.35Å; L135-P309 HydrophobicContact CD1-CG 3.98Å; P237-P309 HydrophobicContact CG-CG 4.07Å; P237-P309 VanDerWaalsContact O-CD 3.28Å; P237-P309 WeakPolarHBondContact O-CD 3.4Å; V239-P309 HydrophobicContact CG2-CG 4.19Å; P309-F311 PolarHBondContact O-N 3.23Å
310R86.1Confident86.7Confident75 Ų7527.1 Ų27.128%0.28312%0.124SC..PPolyproline II helixtrans-74.2122.9173.4-176.761.2170.8115.5-6.4109.8E150 I152E150-R310 IonicContact OE1-CZ 3.14Å; E150-R310 IonicContact OE1-NH2 2.79Å; E150-R310 PolarHBondContact OE1-NH2 2.66Å; I152-R310 VanDerWaalsContact CD1-CZ 3.48Å
311F89.2Confident87.3Confident5 Ų525.8 Ų25.82%0.02212%0.123CC..PPolyproline II helixtrans-91.2169.7164-79-110.5000109.6V236 P309 L433 R435 H478 A480V236-F311 HydrophobicContact CG1-CE2 4.3Å; V236-F311 HydrophobicContact CG2-CD2 4.43Å; V236-F311 HydrophobicContact CG2-CE2 3.83Å; V236-F311 HydrophobicContact CG2-CZ 4.08Å; P309-F311 PolarHBondContact O-N 3.23Å; F311-L433 HydrophobicContact CB-CB 3.67Å; F311-L433 HydrophobicContact CB-CD1 4.01Å; F311-L433 HydrophobicContact CB-CG 4.42Å; F311-L433 HydrophobicContact CD1-CB 3.49Å; F311-L433 VanDerWaalsContact CD1-CB 3.49Å; F311-L433 HydrophobicContact CD2-CB 4.09Å; F311-L433 HydrophobicContact CD2-CD1 3.81Å; F311-L433 HydrophobicContact CE1-CB 4.1Å; F311-L433 HydrophobicContact CG-CB 3.48Å; F311-L433 VanDerWaalsContact CG-CB 3.48Å; F311-L433 HydrophobicContact CG-CD1 3.94Å; F311-L433 HydrophobicContact CG-CG 4.37Å; F311-R435 HydrophobicContact CD1-CB 4.04Å; F311-R435 HydrophobicContact CD1-CG 3.93Å; F311-R435 HydrophobicContact CE1-CG 4.11Å; F311-H478 AromaticContact CE1-ND1 3.56Å; F311-H478 AromaticContact CZ-CE1 3.96Å; F311-H478 AromaticContact CZ-ND1 3.87Å; F311-A480 HydrophobicContact CE1-CB 3.77Å; F311-A480 HydrophobicContact CZ-CB 3.56Å
312E88.4Confident88.2Confident87 Ų8730.2 Ų30.241%0.40715%0.146SC..SBendtrans-85.8-44-176.6-67.9169.8-142.100111.5F323 I434 R435 R436E312-F323 HydrophobicContact CB-CE2 3.65Å; E312-F323 HydrophobicContact CB-CZ 3.95Å; E312-F323 WeakPolarHBondContact OE2-CE2 3.08Å; E312-F323 VanDerWaalsContact OE2-CZ 3.23Å; E312-F323 WeakPolarHBondContact OE2-CZ 2.84Å; E312-I434 PolarHBondContact N-O 2.84Å; E312-R435 HydrophobicContact CB-CB 4.48Å; E312-R435 HydrophobicContact CG-CB 4.09Å; E312-R436 PolarHBondContact OE1-N 3.24Å; E312-R436 IonicContact OE2-NE 3.66Å
313A91.8Very high88.4Confident13 Ų1330.9 Ų30.911%0.10715%0.149CC..EExtended strand (participates in β ladder)trans-152.3-176.5-177.600000111.8D317 F323 L433 I434A313-D317 HydrophobicContact CB-CB 3.85Å; A313-F323 HydrophobicContact CB-CB 4.04Å; A313-F323 HydrophobicContact CB-CD1 4.48Å; A313-F323 HydrophobicContact CB-CD2 3.55Å; A313-F323 HydrophobicContact CB-CE2 4.12Å; A313-F323 HydrophobicContact CB-CG 3.78Å; A313-L433 WeakPolarHBondContact O-CA 3.41Å; A313-I434 HydrophobicContact CB-CG2 3.86Å; A313-I434 PolarHBondContact N-O 3.38Å; A313-I434 VanDerWaalsContact N-O 3.09Å; A313-I434 PolarHBondContact O-N 3.48Å
314T94.5Very high87.9Confident23 Ų2338.6 Ų38.614%0.14118%0.183CC..EExtended strand (participates in β ladder)trans-95.5167.8166.567.90000111.2D316 D317 L318 N430 I432 L433 I434T314-D316 PolarHBondContact O-N 2.91Å; T314-D316 PolarHBondContact OG1-N 3.25Å; T314-D317 WeakPolarHBondContact CB-OD2 3Å; T314-D317 PolarHBondContact N-OD2 2.92Å; T314-D317 WeakPolarHBondContact O-CB 3.46Å; T314-D317 PolarHBondContact O-N 3.27Å; T314-D317 PolarHBondContact OG1-N 2.96Å; T314-D317 VanDerWaalsContact OG1-N 3.16Å; T314-D317 PolarHBondContact OG1-OD2 3.47Å; T314-L318 PolarHBondContact O-N 3.28Å; T314-N430 WeakPolarHBondContact CG2-O 3.28Å; T314-I432 CarbonylContact C-O 3.44Å; T314-I432 VanDerWaalsContact CA-O 3.28Å; T314-I432 WeakPolarHBondContact CA-O 3.28Å; T314-L433 HydrophobicContact CG2-CD2 4.02Å; T314-I434 WeakPolarHBondContact O-CG2 3.36Å
315L95.2Very high87Confident0 Ų038.4 Ų38.40%018%0.183CC..Hα-helixtrans-65.3-32.8171.2-179.761.9000110.9D317 L318 L319 P429 I432 L557L315-D317 VanDerWaalsContact C-N 3.3Å; L315-D317 PolarHBondContact O-N 3.25Å; L315-L318 HydrophobicContact CD1-CD2 4.01Å; L315-L318 WeakPolarHBondContact O-CB 3.46Å; L315-L318 PolarHBondContact O-N 3.08Å; L315-L318 VanDerWaalsContact O-N 3.16Å; L315-L319 HydrophobicContact CD1-CG 4.44Å; L315-L319 HydrophobicContact CG-CD1 4.11Å; L315-L319 HydrophobicContact CG-CG 4.31Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.37Å; L315-L319 PolarHBondContact O-N 3.14Å; L315-P429 HydrophobicContact CB-CB 4.28Å; L315-P429 WeakPolarHBondContact CB-O 3.19Å; L315-P429 HydrophobicContact CG-CB 4.37Å; L315-P429 PolarHBondContact N-O 3Å; L315-I432 HydrophobicContact CB-CB 3.83Å; L315-I432 HydrophobicContact CB-CG2 3.84Å; L315-I432 HydrophobicContact CD2-CB 4.33Å; L315-I432 HydrophobicContact CD2-CD1 3.77Å; L315-I432 HydrophobicContact CD2-CG2 4.17Å; L315-I432 PolarHBondContact N-O 3.03Å; L315-L557 HydrophobicContact CD1-CD2 3.98Å
316D93.9Very high85.4Confident29 Ų2940.8 Ų40.816%0.15520%0.197CC..Hα-helixtrans-60.6-41174.8-162.656.8000111.6T314 L318 L319 R320 P429 N430T314-D316 PolarHBondContact O-N 2.91Å; T314-D316 PolarHBondContact OG1-N 3.25Å; D316-L318 VanDerWaalsContact C-N 3.29Å; D316-L318 PolarHBondContact O-N 2.96Å; D316-L319 PolarHBondContact O-N 3.01Å; D316-R320 WeakPolarHBondContact O-CB 3.39Å; D316-R320 WeakPolarHBondContact O-CG 3.39Å; D316-R320 PolarHBondContact O-N 3.44Å; D316-R320 IonicContact OD1-NE 3.56Å; D316-R320 IonicContact OD1-NH2 3.89Å; D316-R320 IonicContact OD2-CZ 2.75Å; D316-R320 IonicContact OD2-NE 2.93Å; D316-R320 PolarHBondContact OD2-NE 3.1Å; D316-R320 IonicContact OD2-NH2 3.83Å; D316-R320 PolarHBondContact OD2-NH2 3.42Å; D316-P429 HydrophobicContact CB-CB 3.75Å; D316-P429 PolarHBondContact N-O 3.27Å; D316-N430 WeakPolarHBondContact CB-OD1 3.09Å; D316-N430 PolarHBondContact OD2-OD1 2.89Å
317D92.7Very high83.8Confident50 Ų5041.4 Ų41.427%0.26720%0.199SC..Hα-helixtrans-62.3-37.1175.5-62.4-52.3000112.2A313 T314 L315 G321 N322 F323A313-D317 HydrophobicContact CB-CB 3.85Å; T314-D317 WeakPolarHBondContact CB-OD2 3Å; T314-D317 PolarHBondContact N-OD2 2.92Å; T314-D317 WeakPolarHBondContact O-CB 3.46Å; T314-D317 PolarHBondContact O-N 3.27Å; T314-D317 PolarHBondContact OG1-N 2.96Å; T314-D317 VanDerWaalsContact OG1-N 3.16Å; T314-D317 PolarHBondContact OG1-OD2 3.47Å; L315-D317 VanDerWaalsContact C-N 3.3Å; L315-D317 PolarHBondContact O-N 3.25Å; D317-G321 PolarHBondContact O-N 2.95Å; D317-N322 HydrophobicContact CB-CB 4.24Å; D317-N322 WeakPolarHBondContact O-CA 3.42Å; D317-N322 WeakPolarHBondContact O-CB 3.35Å; D317-N322 PolarHBondContact O-N 3.31Å; D317-F323 HydrophobicContact CB-CB 4.2Å; D317-F323 PolarHBondContact O-N 3.21Å
318L91.6Very high81.7Confident0 Ų045.5 Ų45.50%022%0.218CC..Hα-helixtrans-66.9-47.6174.4177.267.2000111.3T314 L315 D316 R320 G321 F323 I398 I406 I434T314-L318 PolarHBondContact O-N 3.28Å; L315-L318 HydrophobicContact CD1-CD2 4.01Å; L315-L318 WeakPolarHBondContact O-CB 3.46Å; L315-L318 PolarHBondContact O-N 3.08Å; L315-L318 VanDerWaalsContact O-N 3.16Å; D316-L318 VanDerWaalsContact C-N 3.29Å; D316-L318 PolarHBondContact O-N 2.96Å; L318-R320 VanDerWaalsContact C-N 3.3Å; L318-R320 PolarHBondContact O-N 3.22Å; L318-G321 PolarHBondContact O-N 3.43Å; L318-F323 HydrophobicContact CB-CB 4.36Å; L318-F323 HydrophobicContact CB-CD1 4.41Å; L318-F323 HydrophobicContact CD1-CD1 4.06Å; L318-I398 HydrophobicContact CD1-CD1 3.67Å; L318-I398 HydrophobicContact CD2-CD1 3.73Å; L318-I398 HydrophobicContact CG-CD1 3.72Å; L318-I406 HydrophobicContact CD2-CD1 4.2Å; L318-I434 HydrophobicContact CD2-CD1 3.61Å
319L92Very high79.4Confident24 Ų2450.4 Ų50.413%0.12624%0.241CC..Hα-helixtrans-63.2-35.1-179.2-67.4171.6000112.5L315 D316 G321 P429 P556 L557L315-L319 HydrophobicContact CD1-CG 4.44Å; L315-L319 HydrophobicContact CG-CD1 4.11Å; L315-L319 HydrophobicContact CG-CG 4.31Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.37Å; L315-L319 PolarHBondContact O-N 3.14Å; D316-L319 PolarHBondContact O-N 3.01Å; L319-G321 VanDerWaalsContact C-N 3.27Å; L319-G321 PolarHBondContact O-N 3.44Å; L319-P429 HydrophobicContact CD1-CB 3.98Å; L319-P429 HydrophobicContact CD1-CG 3.93Å; L319-P556 HydrophobicContact CD1-CB 3.96Å; L319-P556 HydrophobicContact CD1-CG 4.49Å; L319-P556 HydrophobicContact CD2-CB 4.3Å; L319-P556 VanDerWaalsContact CD2-O 3.29Å; L319-P556 WeakPolarHBondContact CD2-O 2.94Å; L319-L557 HydrophobicContact CD2-CD2 4.25Å
320R90.4Very high76.9Confident159 Ų15955 Ų5560%0.627%0.273SS*.THydrogen-bonded Turntrans-78.7-7.5174.8-66.7-178-168.6-146.37.8113.8D316 L318 N322D316-R320 WeakPolarHBondContact O-CB 3.39Å; D316-R320 WeakPolarHBondContact O-CG 3.39Å; D316-R320 PolarHBondContact O-N 3.44Å; D316-R320 IonicContact OD1-NE 3.56Å; D316-R320 IonicContact OD1-NH2 3.89Å; D316-R320 IonicContact OD2-CZ 2.75Å; D316-R320 IonicContact OD2-NE 2.93Å; D316-R320 PolarHBondContact OD2-NE 3.1Å; D316-R320 IonicContact OD2-NH2 3.83Å; D316-R320 PolarHBondContact OD2-NH2 3.42Å; L318-R320 VanDerWaalsContact C-N 3.3Å; L318-R320 PolarHBondContact O-N 3.22Å; R320-N322 VanDerWaalsContact C-N 3.27Å; R320-N322 PolarHBondContact O-N 3.25Å
321G85.3Confident74.1Confident16 Ų1657 Ų5717%0.16530%0.298CS..THydrogen-bonded Turntrans75.510.8-174.300000114.5D317 L318 L319 F323 H393D317-G321 PolarHBondContact O-N 2.95Å; L318-G321 PolarHBondContact O-N 3.43Å; L319-G321 VanDerWaalsContact C-N 3.27Å; L319-G321 PolarHBondContact O-N 3.44Å; G321-F323 VanDerWaalsContact C-N 3.32Å; G321-H393 WeakPolarHBondContact CA-O 2.93Å
322N85.2Confident71.3Confident107 Ų10760.7 Ų60.757%0.57233%0.33SS*.  trans-75.2-23.9177-66.2-21.1000112.2D317 R320 K324D317-N322 HydrophobicContact CB-CB 4.24Å; D317-N322 WeakPolarHBondContact O-CA 3.42Å; D317-N322 WeakPolarHBondContact O-CB 3.35Å; D317-N322 PolarHBondContact O-N 3.31Å; R320-N322 VanDerWaalsContact C-N 3.27Å; R320-N322 PolarHBondContact O-N 3.25Å; N322-K324 PolarHBondContact O-N 3.3Å
323F83.1Confident68.4Low19 Ų1964 Ų648%0.08335%0.346CS..SBendtrans-88.994.1174.5-174.2-130.9000110.5E312 A313 D317 L318 G321 C325 I434 R436 F477E312-F323 HydrophobicContact CB-CE2 3.65Å; E312-F323 HydrophobicContact CB-CZ 3.95Å; E312-F323 WeakPolarHBondContact OE2-CE2 3.08Å; E312-F323 VanDerWaalsContact OE2-CZ 3.23Å; E312-F323 WeakPolarHBondContact OE2-CZ 2.84Å; A313-F323 HydrophobicContact CB-CB 4.04Å; A313-F323 HydrophobicContact CB-CD1 4.48Å; A313-F323 HydrophobicContact CB-CD2 3.55Å; A313-F323 HydrophobicContact CB-CE2 4.12Å; A313-F323 HydrophobicContact CB-CG 3.78Å; D317-F323 HydrophobicContact CB-CB 4.2Å; D317-F323 PolarHBondContact O-N 3.21Å; L318-F323 HydrophobicContact CB-CB 4.36Å; L318-F323 HydrophobicContact CB-CD1 4.41Å; L318-F323 HydrophobicContact CD1-CD1 4.06Å; G321-F323 VanDerWaalsContact C-N 3.32Å; F323-C325 WeakPolarHBondContact CD1-SG 3.47Å; F323-C325 WeakPolarHBondContact CE1-SG 3.18Å; F323-C325 PolarHBondContact O-N 3.03Å; F323-C325 PolarHBondContact O-SG 2.79Å; F323-C325 VanDerWaalsContact O-SG 3.33Å; F323-I434 HydrophobicContact CD1-CD1 4.44Å; F323-I434 HydrophobicContact CD1-CG2 3.98Å; F323-I434 HydrophobicContact CE1-CD1 4.21Å; F323-I434 HydrophobicContact CE1-CG1 4.33Å; F323-I434 HydrophobicContact CE1-CG2 3.94Å; F323-R436 HydrophobicContact CZ-CG 4.28Å; F323-F477 HydrophobicContact CD1-CE1 4.49Å; F323-F477 HydrophobicContact CE1-CD1 4.21Å; F323-F477 AromaticContact CE1-CE1 3.7Å; F323-F477 HydrophobicContact CE1-CE1 3.7Å
324K71.7Confident65.3Low163 Ų16370.9 Ų70.971%0.70938%0.379SS*.  trans-56.7113.2179.3-68-171.5177.2-173.10110.4N322 R436N322-K324 PolarHBondContact O-N 3.3Å; K324-R436 PolarHBondContact O-NH2 3.47Å
325C66Low62.2Low11 Ų1175.6 Ų75.67%0.07440%0.403CS..  trans-123.5119.3170.9-59.40000107F323 F327 V396 F477F323-C325 WeakPolarHBondContact CD1-SG 3.47Å; F323-C325 WeakPolarHBondContact CE1-SG 3.18Å; F323-C325 PolarHBondContact O-N 3.03Å; F323-C325 PolarHBondContact O-SG 2.79Å; F323-C325 VanDerWaalsContact O-SG 3.33Å; C325-F327 HydrophobicContact CB-CD2 3.76Å; C325-F327 HydrophobicContact CB-CE2 3.57Å; C325-F327 PolarHBondContact O-N 2.5Å; C325-V396 HydrophobicContact CB-CG1 3.95Å; C325-F477 HydrophobicContact CB-CZ 4.04Å; C325-F477 WeakPolarHBondContact SG-CZ 3.27Å
326N55.3Low58.9Low53 Ų5383.1 Ų83.128%0.28344%0.438SS..  trans-78.993.4-179.1-64.99.7000107.7Y378 F381N326-Y378 VanDerWaalsContact ND2-CD2 3.32Å; N326-Y378 WeakPolarHBondContact ND2-CD2 3.26Å; N326-F381 HydrophobicContact CB-CD2 4.31Å; N326-F381 WeakPolarHBondContact O-CB 3.11Å; N326-F381 WeakPolarHBondContact O-CD1 3.32Å; N326-F381 WeakPolarHBondContact O-CD2 3.08Å; N326-F381 WeakPolarHBondContact O-CG 3.5Å
327F54.1Low55.7Low14 Ų1490.6 Ų90.66%0.06147%0.472CS..  trans-116.477.9163.7-61.5-75000106.1C325 Q329 F381 V396 Y397 P399 F477C325-F327 HydrophobicContact CB-CD2 3.76Å; C325-F327 HydrophobicContact CB-CE2 3.57Å; C325-F327 PolarHBondContact O-N 2.5Å; F327-Q329 PolarHBondContact O-N 3.41Å; F327-F381 HydrophobicContact CD1-CD1 4.12Å; F327-F381 HydrophobicContact CE1-CD1 4.08Å; F327-F381 HydrophobicContact CE1-CE1 4.26Å; F327-V396 HydrophobicContact CD2-CG1 4.15Å; F327-Y397 WeakPolarHBondContact CB-O 3.28Å; F327-Y397 WeakPolarHBondContact CD2-O 3.24Å; F327-Y397 WeakPolarHBondContact CG-O 3.41Å; F327-P399 HydrophobicContact CD1-CG 4.44Å; F327-P399 HydrophobicContact CE1-CG 4.48Å; F327-F477 AromaticContact CE2-CE2 3.83Å; F327-F477 HydrophobicContact CE2-CE2 3.83Å; F327-F477 AromaticContact CE2-CZ 3.66Å; F327-F477 HydrophobicContact CE2-CZ 3.66Å; F327-F477 AromaticContact CZ-CE2 3.75Å; F327-F477 HydrophobicContact CZ-CE2 3.75Å; F327-F477 AromaticContact CZ-CZ 3.74Å; F327-F477 HydrophobicContact CZ-CZ 3.74Å
328E40.3Very low52.6Low89 Ų8991.7 Ų91.742%0.41650%0.496SS..  trans-78.2124.4-178.2-67.4172.6175.700109.9Y378 N382E328-Y378 PolarHBondContact OE1-OH 3.4Å; E328-Y378 PolarHBondContact OE2-OH 3.17Å; E328-N382 WeakPolarHBondContact CB-OD1 3.44Å; E328-N382 PolarHBondContact N-OD1 3.39Å; E328-N382 PolarHBondContact OE2-ND2 2.94Å
329Q39.2Very low49.4Very low111 Ų11196.7 Ų96.752%0.51953%0.531SS..  trans-72.3128.7158.6-86.7-179.7-22.200108.1F327 S331F327-Q329 PolarHBondContact O-N 3.41Å; Q329-S331 PolarHBondContact O-N 3.37Å
330S30Very low46.3Very low107 Ų107102.3 Ų102.375%0.74856%0.559SS**  trans-67107.116060.50000107.8A332S330-A332 PolarHBondContact O-N 3.43Å
331S26.4Very low43.3Very low116 Ų116103 Ų10381%0.81157%0.569SS**  trans-64.476.2154.150.10000108Q329 E333Q329-S331 PolarHBondContact O-N 3.37Å; S331-E333 PolarHBondContact O-N 2.84Å
332A30Very low40.5Very low83 Ų83107.4 Ų107.469%0.68660%0.597SS**  trans-83105.4162.500000106.1S330 I334S330-A332 PolarHBondContact O-N 3.43Å; A332-I334 PolarHBondContact O-N 3.5Å
333E28.7Very low37.9Very low158 Ų158112 Ų11274%0.73861%0.613SS**  trans-36.9121-179.9-65.3168.9165.600113.8S331 N335S331-E333 PolarHBondContact O-N 2.84Å; E333-N335 HydrophobicContact CB-CB 4.32Å; E333-N335 PolarHBondContact O-N 3.21Å; E333-N335 PolarHBondContact OE2-ND2 3.31Å; E333-N335 VanDerWaalsContact OE2-ND2 3.1Å
334I26.8Very low35.1Very low157 Ų157119.8 Ų119.881%0.80565%0.649SS**  trans-68.584149.3-60.7169.9000105.4A332A332-I334 PolarHBondContact O-N 3.5Å
335N27.5Very low33.2Very low122 Ų122120 Ų12065%0.65266%0.658SS**  trans-111.2109.7163.9-82-28.9000107.8E333E333-N335 HydrophobicContact CB-CB 4.32Å; E333-N335 PolarHBondContact O-N 3.21Å; E333-N335 PolarHBondContact OE2-ND2 3.31Å; E333-N335 VanDerWaalsContact OE2-ND2 3.1Å
336H27.5Very low31.4Very low158 Ų158127.8 Ų127.873%0.73169%0.693SS**  trans-48.9142169.6-85.2-92.5000112.2
337E25.6Very low30.1Very low185 Ų185130 Ų13086%0.86471%0.713SS**  trans53.3111.9148.1-63.5-178.7167.200118.8
338G28.4Very low29Very low74 Ų74136 Ų13676%0.76375%0.745SS**  trans166.475.2166.400000116
339S24.4Very low28.5Very low105 Ų105138.1 Ų138.173%0.73476%0.76SS**  trans2.7132.8144.3450000120.5
340I26.9Very low28Very low142 Ų142138.5 Ų138.573%0.72877%0.77SS**  trans105.6111.8131.4-70.6163.5000119.8
341E28Very low27.9Very low172 Ų172140 Ų14080%0.80477%0.77SS**  trans83.8115.7136.6-76171.2-166.600123.9
342S24.6Very low28Very low109 Ų109142 Ų14276%0.76277%0.77SS**  trans-57.6134.2158.9520000114.5
343K31Very low27.9Very low205 Ų205142 Ų14289%0.89177%0.77SS**  trans-138.9117.5143.4-77.7-169.7178.4170.80111.3
344Q25.8Very low27.8Very low181 Ų181145.2 Ų145.285%0.84678%0.776SS**  trans-59.3145.8160.5-69.4170.9-37.400109.8
345N31.1Very low27.8Very low168 Ų168144.5 Ų144.590%0.89877%0.773SS**  trans-157141137.6-96.9-21.5000112.1
346Q27.3Very low28Very low174 Ų174144.3 Ų144.381%0.81378%0.782SS**  trans-82.2169.1-169.3-68.7168.6-43.200113.6
347S29.6Very low27.9Very low100 Ų100145.4 Ų145.470%0.69979%0.787SS**  trans89.5121.913663.40000120.9
348D29.8Very low27.9Very low139 Ų139148.2 Ų148.274%0.74379%0.791SS**  trans97.4101.7130.4-65.2-6.8000121.6
349N28.9Very low27.8Very low135 Ų135153.3 Ų153.372%0.72280%0.795SS**  63.7128.1116.6-77.2-28000122
350T29.3Very low27.9Very low118 Ų118158.3 Ų158.372%0.72480%0.804SS**  trans89.3112.3142.560.10000121.2
351N28.4Very low27.7Very low140 Ų140157.1 Ų157.175%0.74980%0.804SS**  75.1132.1124.1-75-19.8000123.3
352L27.4Very low27.7Very low156 Ų156156.8 Ų156.882%0.81781%0.807SS**  trans80.1107146.3-90.594.7000121.1
353A28.6Very low27.7Very low83 Ų83158 Ų15869%0.68681%0.81SS**  53.7120.2119.600000120.8
354R27.4Very low27.6Very low226 Ų226153.2 Ų153.285%0.85380%0.802SS**  163.7134108.9-92.7175.8172.6168.6-1.5113.9
355N26.5Very low27.5Very low142 Ų142152.3 Ų152.376%0.75980%0.803SS**  trans57.1122.5135.8-64.5-8.4000122.8
356S30.5Very low27.4Very low118 Ų118150 Ų15083%0.82580%0.795SS**  -175.297.4117.718.70000109.2
357Q25.7Very low27.4Very low182 Ų182152 Ų15285%0.8580%0.802SS**  43.9107.797.5-92.1-174.4-16.300116.1
358Y27Very low27.3Very low243 Ų243152.9 Ų152.995%0.95380%0.803SS**  trans-151.2120.4132.4-93.3-74.4000110.3
359Q24.7Very low27.2Very low181 Ų181150.5 Ų150.585%0.84680%0.795SS**  trans-91.9140.7170.9-85.9176.5-30.400110.3
360K27Very low27.1Very low211 Ų211149.1 Ų149.192%0.91780%0.796SS**  trans-153.9115.2138.2-120.4176.3-176.6177.90109.6
361T24.1Very low27.3Very low117 Ų117150.5 Ų150.572%0.71879%0.792SS**  trans-79.7139.9176.1470000110.8
362N27.9Very low27.3Very low164 Ų164153 Ų15388%0.87780%0.799SS**  trans-159.2134.3135.4-96.5-15.2000112.1
363V24.6Very low27.7Very low136 Ų136148.7 Ų148.782%0.82478%0.777SS**  trans-53.5128.8-174.5179.20000114.5
364S27.7Very low28.1Very low104 Ų104152.4 Ų152.473%0.72778%0.78SS**  trans-163.6131.114152.40000111.5T366S364-T366 PolarHBondContact O-N 3.49Å
365N25Very low28.5Very low162 Ų162145.2 Ų145.287%0.86676%0.764SS**  trans-65.9108.3-173.3-69.3-31.8000112.1
366T29.1Very low28.9Very low118 Ų118143.5 Ų143.572%0.72476%0.755SS**  trans-131.1103.1162.139.70000109.1S364 T368S364-T366 PolarHBondContact O-N 3.49Å; T366-T368 PolarHBondContact O-N 2.94Å
367F25.9Very low29.1Very low217 Ų217140.7 Ų140.795%0.95273%0.73SS**  trans-69.196.1170-111.1-97.5000108.3
368T27.7Very low29.5Very low118 Ų118136.7 Ų136.772%0.72471%0.708SS**  trans-77.4121.7163.231.70000108.5T366 S370T366-T368 PolarHBondContact O-N 2.94Å; T368-S370 PolarHBondContact O-N 3.31Å; T368-S370 VanDerWaalsContact O-N 3.11Å
369P28.8Very low29.8Very low89 Ų89134.2 Ų134.258%0.57870%0.698SS**  trans-68.4113.7164.528.4-28.9000106.5F371P369-F371 VanDerWaalsContact C-N 3.33Å; P369-F371 PolarHBondContact O-N 3.44Å
370S25.5Very low30.3Very low106 Ų106127.9 Ų127.974%0.74167%0.67SS**  trans-6189.7177.254.30000110.6T368T368-S370 PolarHBondContact O-N 3.31Å; T368-S370 VanDerWaalsContact O-N 3.11Å
371F33.2Very low30.8Very low148 Ų148119.5 Ų119.565%0.64963%0.634SS**  trans-91.886.8154.9-86.8-89.9000107.5P369 L373P369-F371 VanDerWaalsContact C-N 3.33Å; P369-F371 PolarHBondContact O-N 3.44Å; F371-L373 HydrophobicContact CD1-CD1 4.17Å; F371-L373 PolarHBondContact O-N 3.3Å
372Q29.3Very low31.3Very low191 Ų191117 Ų11789%0.89362%0.616SS**  trans-6878.7161.1-81.8171.2-33.800108.3
373L35.8Very low31.7Very low67 Ų67113.4 Ų113.435%0.35160%0.604SS.*  trans-139.56.3174.2-110.7146.3000111.8F371F371-L373 HydrophobicContact CD1-CD1 4.17Å; F371-L373 PolarHBondContact O-N 3.3Å
374H36.2Very low32.4Very low161 Ų161109.3 Ų109.375%0.74558%0.581SS**THydrogen-bonded Turntrans-84-15.4-169.2-138-57.3000114
375S36.3Very low33.3Very low75 Ų75106.1 Ų106.152%0.52456%0.556SS.*THydrogen-bonded Turntrans-86.4-36.717752.40000113.3Y378S375-Y378 WeakPolarHBondContact O-CB 3.31Å; S375-Y378 PolarHBondContact O-N 3Å
376D35.6Very low34.3Very low105 Ų105104 Ų10456%0.56155%0.553SS**Hα-helixtrans-83.3-28.5-170.7-60.2-6.8000111.7Y378 L380D376-Y378 VanDerWaalsContact C-N 3.31Å; D376-L380 WeakPolarHBondContact O-CD1 3.47Å; D376-L380 WeakPolarHBondContact O-CG 3.32Å; D376-L380 PolarHBondContact O-N 3.27Å
377L33.2Very low35.7Very low60 Ų60104.8 Ų104.831%0.31455%0.553SS.*Hα-helixtrans-67.1-31.9169.3-71.9171.5000112L380 F381L377-L380 HydrophobicContact CD2-CD1 4.24Å; L377-L380 WeakPolarHBondContact O-CB 3.32Å; L377-L380 PolarHBondContact O-N 2.83Å; L377-F381 WeakPolarHBondContact O-CD2 3.48Å; L377-F381 WeakPolarHBondContact O-CE2 3.27Å
378Y34Very low37.6Very low98 Ų9895.4 Ų95.438%0.38451%0.514SS..Hα-helixtrans-67.1-42.1-178-167.6-102.2000112N326 E328 S375 D376 L380N326-Y378 VanDerWaalsContact ND2-CD2 3.32Å; N326-Y378 WeakPolarHBondContact ND2-CD2 3.26Å; E328-Y378 PolarHBondContact OE1-OH 3.4Å; E328-Y378 PolarHBondContact OE2-OH 3.17Å; S375-Y378 WeakPolarHBondContact O-CB 3.31Å; S375-Y378 PolarHBondContact O-N 3Å; D376-Y378 VanDerWaalsContact C-N 3.31Å; Y378-L380 VanDerWaalsContact C-N 3.28Å; Y378-L380 PolarHBondContact O-N 3.09Å
379Y34.5Very low40Very low190 Ų19091.4 Ų91.475%0.74549%0.494SS*.Hα-helixtrans-72.7-17.7174.8-85.2-84000113.6K468Y379-K468 WeakPolarHBondContact O-CE 3.31Å; Y379-K468 PolarHBondContact O-NZ 3.33Å
380L35.8Very low42.6Very low49 Ų4989.2 Ų89.226%0.25747%0.474SS..Hα-helixtrans-72.7-26.3-177.7-89.5161.3000113.7D376 L377 Y378 K468D376-L380 WeakPolarHBondContact O-CD1 3.47Å; D376-L380 WeakPolarHBondContact O-CG 3.32Å; D376-L380 PolarHBondContact O-N 3.27Å; L377-L380 HydrophobicContact CD2-CD1 4.24Å; L377-L380 WeakPolarHBondContact O-CB 3.32Å; L377-L380 PolarHBondContact O-N 2.83Å; Y378-L380 VanDerWaalsContact C-N 3.28Å; Y378-L380 PolarHBondContact O-N 3.09Å; L380-K468 VanDerWaalsContact C-NZ 3.34Å; L380-K468 HydrophobicContact CD2-CG 4.27Å; L380-K468 WeakPolarHBondContact O-CD 3.41Å; L380-K468 WeakPolarHBondContact O-CE 3.28Å; L380-K468 PolarHBondContact O-NZ 3.26Å
381F37.7Very low45.6Very low34 Ų3484.6 Ų84.615%0.14944%0.441CS..Hα-helixtrans-89.7-21.2-173.3-67.2-76.2000115.6N326 F327 L377 H476N326-F381 HydrophobicContact CB-CD2 4.31Å; N326-F381 WeakPolarHBondContact O-CB 3.11Å; N326-F381 WeakPolarHBondContact O-CD1 3.32Å; N326-F381 WeakPolarHBondContact O-CD2 3.08Å; N326-F381 WeakPolarHBondContact O-CG 3.5Å; F327-F381 HydrophobicContact CD1-CD1 4.12Å; F327-F381 HydrophobicContact CE1-CD1 4.08Å; F327-F381 HydrophobicContact CE1-CE1 4.26Å; L377-F381 WeakPolarHBondContact O-CD2 3.48Å; L377-F381 WeakPolarHBondContact O-CE2 3.27Å; F381-H476 AromaticContact CE1-CD2 3.92Å
382N34Very low48.2Very low66 Ų6683.7 Ų83.735%0.35344%0.437SS..SBendtrans-999.1-159.1-74.62.6000118.6E328E328-N382 WeakPolarHBondContact CB-OD1 3.44Å; E328-N382 PolarHBondContact N-OD1 3.39Å; E328-N382 PolarHBondContact OE2-ND2 2.94Å
383S35.7Very low50.9Low88 Ų8874.9 Ų74.962%0.61540%0.395SS*.SBendtrans-137.418.7-163.283.10000120.7K468S383-K468 WeakPolarHBondContact OG-CE 3.31Å; S383-K468 PolarHBondContact OG-NZ 3Å
384S39Very low53Low49 Ų4973.8 Ų73.834%0.34340%0.4SS..SBendtrans-158.223.2175.380.80000119.2
385L46.5Very low55Low38 Ų3874.5 Ų74.520%0.19940%0.404CS..  trans-10130.8-177-89.7125.3000114.3N387 S388 Y390 P399 I472L385-N387 PolarHBondContact O-N 3.26Å; L385-S388 PolarHBondContact O-N 2.75Å; L385-S388 VanDerWaalsContact O-N 3.11Å; L385-Y390 HydrophobicContact CB-CE2 4.41Å; L385-Y390 WeakPolarHBondContact CB-OH 3.46Å; L385-Y390 WeakPolarHBondContact CD1-OH 3.17Å; L385-Y390 WeakPolarHBondContact CG-OH 3.42Å; L385-P399 HydrophobicContact CD2-CB 3.91Å; L385-P399 HydrophobicContact CD2-CG 3.8Å; L385-I472 HydrophobicContact CD1-CD1 4.31Å; L385-I472 HydrophobicContact CG-CD1 4.39Å
386S46.7Very low57.1Low117 Ų11771.3 Ų71.382%0.81838%0.381SS*.THydrogen-bonded Turntrans-58.2-12.7-165.772.80000116.9
387N57.7Low59.5Low135 Ų13569.6 Ų69.672%0.72237%0.368SS*.THydrogen-bonded Turntrans-126.211.1-179-63.819.3000114.1L385 R622L385-N387 PolarHBondContact O-N 3.26Å; N387-R622 PolarHBondContact O-NH2 3.23Å
388S65.4Low62.1Low19 Ų1966.8 Ų66.813%0.13335%0.353CS..  trans-82.6133.5172.8179.40000109.8L385 Y390 E401L385-S388 PolarHBondContact O-N 2.75Å; L385-S388 VanDerWaalsContact O-N 3.11Å; S388-Y390 WeakPolarHBondContact O-CD2 3.45Å; S388-Y390 WeakPolarHBondContact O-CE2 3.3Å; S388-E401 PolarHBondContact OG-OE2 3.09Å
389A79.5Confident64.6Low35 Ų3562.3 Ų62.329%0.28934%0.336SS..  trans-70.8152.3160.900000109.4V400 E585A389-V400 HydrophobicContact CB-CG2 3.85Å; A389-V400 PolarHBondContact O-N 3.4Å; A389-V400 VanDerWaalsContact O-N 3.09Å; A389-E585 HydrophobicContact CB-CB 3.76Å; A389-E585 HydrophobicContact CB-CG 3.79Å
390Y83.6Confident67.2Low42 Ų4253.6 Ų53.617%0.16530%0.302CS..EExtended strand (participates in β ladder)trans-128.3137.9-178-76-99.4000109.7L385 S388 I398 P399L385-Y390 HydrophobicContact CB-CE2 4.41Å; L385-Y390 WeakPolarHBondContact CB-OH 3.46Å; L385-Y390 WeakPolarHBondContact CD1-OH 3.17Å; L385-Y390 WeakPolarHBondContact CG-OH 3.42Å; S388-Y390 WeakPolarHBondContact O-CD2 3.45Å; S388-Y390 WeakPolarHBondContact O-CE2 3.3Å; Y390-I398 WeakPolarHBondContact CA-O 3.27Å; Y390-P399 HydrophobicContact CD1-CG 4.12Å; Y390-P399 HydrophobicContact CE1-CB 4.37Å; Y390-P399 HydrophobicContact CE1-CG 3.62Å
391I88.4Confident69.6Low10 Ų1052.9 Ų52.95%0.05130%0.298CS..EExtended strand (participates in β ladder)trans-104.1132.4172.8-53.7-58.1000108.9H393 Y397 I398 V400 I403 F558 P583 E585I391-H393 WeakPolarHBondContact CG2-NE2 3.28Å; I391-Y397 WeakPolarHBondContact O-CA 3.45Å; I391-I398 PolarHBondContact N-O 3.37Å; I391-I398 PolarHBondContact O-N 3.18Å; I391-V400 HydrophobicContact CG1-CG2 4.35Å; I391-I403 HydrophobicContact CB-CD1 3.66Å; I391-I403 HydrophobicContact CG1-CD1 3.48Å; I391-I403 VanDerWaalsContact CG1-CD1 3.48Å; I391-I403 HydrophobicContact CG2-CD1 4.44Å; I391-F558 HydrophobicContact CD1-CD1 3.87Å; I391-F558 HydrophobicContact CD1-CE1 4.49Å; I391-F558 HydrophobicContact CG1-CD1 3.85Å; I391-F558 HydrophobicContact CG1-CE1 4.3Å; I391-F558 VanDerWaalsContact CG2-C 3.43Å; I391-P583 HydrophobicContact CD1-CG 4.36Å; I391-E585 HydrophobicContact CD1-CB 3.81Å; I391-E585 HydrophobicContact CD1-CG 4.46Å
392K87.5Confident72Confident128 Ų12851.5 Ų51.556%0.55729%0.292SS*.EExtended strand (participates in β ladder)trans-85.8130.3-180-173.5-179.4-179.9177.20111.4G394 Y397K392-G394 WeakPolarHBondContact CE-O 3.36Å; K392-Y397 HydrophobicContact CB-CD1 3.97Å; K392-Y397 HydrophobicContact CB-CE1 3.71Å; K392-Y397 HydrophobicContact CD-CE1 3.95Å; K392-Y397 HydrophobicContact CG-CD1 4.28Å; K392-Y397 HydrophobicContact CG-CE1 3.76Å; K392-Y397 HydrophobicContact CG-CE2 4.48Å
393H85.2Confident74.9Confident6 Ų648.3 Ų48.33%0.02828%0.275CS..EExtended strand (participates in β ladder)trans-130.794.9175-67.7-64.4000109.2G321 I391 E395 V396 I398 P556 L557G321-H393 WeakPolarHBondContact CA-O 2.93Å; I391-H393 WeakPolarHBondContact CG2-NE2 3.28Å; H393-E395 PolarHBondContact O-N 3.16Å; H393-V396 PolarHBondContact N-O 3.13Å; H393-V396 PolarHBondContact O-N 3.15Å; H393-I398 VanDerWaalsContact CD2-CD1 3.42Å; H393-I398 WeakPolarHBondContact CD2-CD1 3.28Å; H393-P556 PolarHBondContact CE1-O 3.2Å; H393-L557 PolarHBondContact CE1-O 2.99Å; H393-L557 VanDerWaalsContact CE1-O 3.27Å; H393-L557 PolarHBondContact NE2-O 3.36Å
394G81.4Confident77.7Confident44 Ų4444.1 Ų44.145%0.45425%0.245SC..THydrogen-bonded Turntrans61-117.3-169.600000111.5K392K392-G394 WeakPolarHBondContact CE-O 3.36Å
395E76.4Confident80.2Confident176 Ų17642.1 Ų42.182%0.82223%0.231SC*.THydrogen-bonded Turntrans-91.4-6.6174.7-62.4-174.1162.900113.4H393H393-E395 PolarHBondContact O-N 3.16Å
396V81.8Confident82.5Confident8 Ų840.3 Ų40.35%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-95.8137.9-175.3-1780000110.2C325 F327 H393 I398C325-V396 HydrophobicContact CB-CG1 3.95Å; F327-V396 HydrophobicContact CD2-CG1 4.15Å; H393-V396 PolarHBondContact N-O 3.13Å; H393-V396 PolarHBondContact O-N 3.15Å; V396-I398 HydrophobicContact CG1-CG1 4.03Å
397Y85.1Confident84.9Confident70 Ų7034.8 Ų34.828%0.27518%0.184SC..EExtended strand (participates in β ladder)trans-112.3123172.7-68.5-95.2000109.4F327 I391 K392F327-Y397 WeakPolarHBondContact CB-O 3.28Å; F327-Y397 WeakPolarHBondContact CD2-O 3.24Å; F327-Y397 WeakPolarHBondContact CG-O 3.41Å; I391-Y397 WeakPolarHBondContact O-CA 3.45Å; K392-Y397 HydrophobicContact CB-CD1 3.97Å; K392-Y397 HydrophobicContact CB-CE1 3.71Å; K392-Y397 HydrophobicContact CD-CE1 3.95Å; K392-Y397 HydrophobicContact CG-CD1 4.28Å; K392-Y397 HydrophobicContact CG-CE1 3.76Å; K392-Y397 HydrophobicContact CG-CE2 4.48Å
398I87.5Confident86.8Confident0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans-109.5126.4-176.5-51.6179.3000109.2L318 Y390 I391 H393 V396 E402 I403L318-I398 HydrophobicContact CD1-CD1 3.67Å; L318-I398 HydrophobicContact CD2-CD1 3.73Å; L318-I398 HydrophobicContact CG-CD1 3.72Å; Y390-I398 WeakPolarHBondContact CA-O 3.27Å; I391-I398 PolarHBondContact N-O 3.37Å; I391-I398 PolarHBondContact O-N 3.18Å; H393-I398 VanDerWaalsContact CD2-CD1 3.42Å; H393-I398 WeakPolarHBondContact CD2-CD1 3.28Å; V396-I398 HydrophobicContact CG1-CG1 4.03Å; I398-E402 HydrophobicContact CG2-CB 3.82Å; I398-E402 HydrophobicContact CG2-CG 3.92Å; I398-I403 HydrophobicContact CB-CD1 4.26Å; I398-I403 HydrophobicContact CB-CG1 4.24Å; I398-I403 HydrophobicContact CG2-CD1 4.28Å; I398-I403 HydrophobicContact CG2-CG1 3.77Å
399P86.9Confident88.2Confident5 Ų527.5 Ų27.53%0.03214%0.143CC..EExtended strand (participates in β ladder)trans-56.5141.7171.7-22.931.9000111.6F327 L385 Y390 E401 E402 I403F327-P399 HydrophobicContact CD1-CG 4.44Å; F327-P399 HydrophobicContact CE1-CG 4.48Å; L385-P399 HydrophobicContact CD2-CB 3.91Å; L385-P399 HydrophobicContact CD2-CG 3.8Å; Y390-P399 HydrophobicContact CD1-CG 4.12Å; Y390-P399 HydrophobicContact CE1-CB 4.37Å; Y390-P399 HydrophobicContact CE1-CG 3.62Å; P399-E401 PolarHBondContact O-N 3.38Å; P399-E402 HydrophobicContact CB-CB 4.26Å; P399-E402 HydrophobicContact CG-CB 4.5Å; P399-E402 WeakPolarHBondContact O-CB 3.41Å; P399-E402 PolarHBondContact O-N 3.32Å; P399-I403 PolarHBondContact O-N 3.1Å; P399-I403 VanDerWaalsContact O-N 3.16Å
400V89.6Confident89.1Confident6 Ų626.1 Ų26.14%0.03613%0.131CC..Hα-helixtrans-55.7-40.8176.9166.70000111.6A389 I391 E402 I403 V404 F558 E585 P587 W618A389-V400 HydrophobicContact CB-CG2 3.85Å; A389-V400 PolarHBondContact O-N 3.4Å; A389-V400 VanDerWaalsContact O-N 3.09Å; I391-V400 HydrophobicContact CG1-CG2 4.35Å; V400-E402 PolarHBondContact O-N 2.9Å; V400-I403 WeakPolarHBondContact O-CB 3.4Å; V400-I403 PolarHBondContact O-N 2.95Å; V400-I403 VanDerWaalsContact O-N 3.13Å; V400-V404 HydrophobicContact CG1-CG2 4.26Å; V400-V404 WeakPolarHBondContact O-CG2 3.19Å; V400-V404 PolarHBondContact O-N 3.4Å; V400-F558 HydrophobicContact CG1-CE1 4.35Å; V400-F558 HydrophobicContact CG2-CE1 4.31Å; V400-E585 HydrophobicContact CG2-CB 4.49Å; V400-E585 WeakPolarHBondContact CG2-O 3.08Å; V400-P587 VanDerWaalsContact CG1-CD 3.41Å; V400-P587 HydrophobicContact CG1-CG 3.42Å; V400-P587 VanDerWaalsContact CG1-CG 3.42Å; V400-W618 HydrophobicContact CG1-CH2 4.29Å
401E86.3Confident89.8Confident34 Ų3424.1 Ų24.116%0.15912%0.123CC..Hα-helixtrans-61.3-32.2178.6-64.980.9178.300112.7S388 P399 A405 W618 R622S388-E401 PolarHBondContact OG-OE2 3.09Å; P399-E401 PolarHBondContact O-N 3.38Å; E401-A405 WeakPolarHBondContact O-CB 3.27Å; E401-A405 PolarHBondContact O-N 3.15Å; E401-W618 HydrophobicContact CB-CZ3 4.46Å; E401-W618 HydrophobicContact CG-CH2 4.02Å; E401-W618 HydrophobicContact CG-CZ3 4.11Å; E401-R622 HydrophobicContact CG-CG 3.74Å; E401-R622 IonicContact OE1-CZ 3.32Å; E401-R622 IonicContact OE1-NE 3.58Å; E401-R622 PolarHBondContact OE1-NE 2.9Å; E401-R622 IonicContact OE1-NH2 2.72Å; E401-R622 PolarHBondContact OE1-NH2 3.01Å
402E88.6Confident90.1Very high5 Ų523.7 Ų23.72%0.02312%0.12CC..Hα-helixtrans-72.5-41.4176.4-17168-141.300110.7I398 P399 V400 A405 I406 S475 H476 F477I398-E402 HydrophobicContact CG2-CB 3.82Å; I398-E402 HydrophobicContact CG2-CG 3.92Å; P399-E402 HydrophobicContact CB-CB 4.26Å; P399-E402 HydrophobicContact CG-CB 4.5Å; P399-E402 WeakPolarHBondContact O-CB 3.41Å; P399-E402 PolarHBondContact O-N 3.32Å; V400-E402 PolarHBondContact O-N 2.9Å; E402-A405 PolarHBondContact O-N 3.07Å; E402-I406 WeakPolarHBondContact O-CG1 3.4Å; E402-I406 PolarHBondContact O-N 2.91Å; E402-S475 WeakPolarHBondContact OE1-CB 3.33Å; E402-S475 PolarHBondContact OE1-OG 3.1Å; E402-H476 VanDerWaalsContact CD-N 3.28Å; E402-H476 PolarHBondContact OE1-N 2.94Å; E402-H476 IonicContact OE2-CE1 3.62Å; E402-H476 IonicContact OE2-CG 3.8Å; E402-H476 PolarHBondContact OE2-N 3.49Å; E402-H476 IonicContact OE2-ND1 3.64Å; E402-H476 PolarHBondContact OE2-ND1 3.49Å; E402-F477 HydrophobicContact CG-CD2 3.5Å; E402-F477 VanDerWaalsContact CG-CD2 3.5Å; E402-F477 HydrophobicContact CG-CE2 3.74Å; E402-F477 WeakPolarHBondContact OE1-CD2 3.33Å; E402-F477 PolarHBondContact OE1-N 2.98Å
403I93.9Very high90.5Very high0 Ų017.7 Ų17.70%010%0.095CC..Hα-helixtrans-60-47.6173.4-69.7162.5000110.6I391 I398 P399 V400 A405 I406 I407 L557 F558I391-I403 HydrophobicContact CB-CD1 3.66Å; I391-I403 HydrophobicContact CG1-CD1 3.48Å; I391-I403 VanDerWaalsContact CG1-CD1 3.48Å; I391-I403 HydrophobicContact CG2-CD1 4.44Å; I398-I403 HydrophobicContact CB-CD1 4.26Å; I398-I403 HydrophobicContact CB-CG1 4.24Å; I398-I403 HydrophobicContact CG2-CD1 4.28Å; I398-I403 HydrophobicContact CG2-CG1 3.77Å; P399-I403 PolarHBondContact O-N 3.1Å; P399-I403 VanDerWaalsContact O-N 3.16Å; V400-I403 WeakPolarHBondContact O-CB 3.4Å; V400-I403 PolarHBondContact O-N 2.95Å; V400-I403 VanDerWaalsContact O-N 3.13Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.2Å; I403-I406 WeakPolarHBondContact O-CB 3.49Å; I403-I406 PolarHBondContact O-N 3.15Å; I403-I406 VanDerWaalsContact O-N 3.15Å; I403-I407 HydrophobicContact CG2-CD1 3.77Å; I403-I407 HydrophobicContact CG2-CG1 4.46Å; I403-I407 WeakPolarHBondContact O-CG1 3.43Å; I403-I407 PolarHBondContact O-N 3.26Å; I403-L557 VanDerWaalsContact CD1-O 3.28Å; I403-L557 WeakPolarHBondContact CD1-O 3.35Å; I403-L557 HydrophobicContact CG2-CB 3.86Å; I403-F558 HydrophobicContact CB-CZ 4.47Å; I403-F558 HydrophobicContact CG2-CD2 4.14Å; I403-F558 HydrophobicContact CG2-CE1 4.4Å; I403-F558 HydrophobicContact CG2-CE2 3.57Å; I403-F558 HydrophobicContact CG2-CZ 3.72Å
404V94.3Very high91.1Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-60.4-40.2178177.70000111.2V400 I407 A408 P587 M590 L615 W618V400-V404 HydrophobicContact CG1-CG2 4.26Å; V400-V404 WeakPolarHBondContact O-CG2 3.19Å; V400-V404 PolarHBondContact O-N 3.4Å; V404-I407 PolarHBondContact O-N 2.81Å; V404-A408 WeakPolarHBondContact O-CB 3.28Å; V404-A408 PolarHBondContact O-N 3.05Å; V404-P587 HydrophobicContact CG2-CG 4.26Å; V404-M590 HydrophobicContact CB-CE 4.28Å; V404-M590 HydrophobicContact CG1-CE 3.88Å; V404-M590 HydrophobicContact CG2-CE 3.6Å; V404-M590 HydrophobicContact CG2-SD 4.23Å; V404-L615 HydrophobicContact CG1-CD2 3.91Å; V404-W618 HydrophobicContact CB-CE3 4.02Å; V404-W618 HydrophobicContact CB-CH2 4.45Å; V404-W618 HydrophobicContact CB-CZ3 3.74Å; V404-W618 HydrophobicContact CG1-CD2 4.24Å; V404-W618 HydrophobicContact CG1-CE3 3.49Å; V404-W618 VanDerWaalsContact CG1-CE3 3.49Å; V404-W618 HydrophobicContact CG1-CZ3 3.77Å; V404-W618 HydrophobicContact CG2-CE3 4.14Å; V404-W618 HydrophobicContact CG2-CH2 3.95Å; V404-W618 HydrophobicContact CG2-CZ3 3.72Å
405A92.1Very high91.7Very high6 Ų615.8 Ų15.85%0.058%0.076CC..Hα-helixtrans-70.5-30.7177.100000113.6E401 E402 I403 Q409E401-A405 WeakPolarHBondContact O-CB 3.27Å; E401-A405 PolarHBondContact O-N 3.15Å; E402-A405 PolarHBondContact O-N 3.07Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.2Å; A405-Q409 VanDerWaalsContact O-CG 3.3Å; A405-Q409 WeakPolarHBondContact O-CG 3.39Å; A405-Q409 PolarHBondContact O-N 3.16Å; A405-Q409 PolarHBondContact O-NE2 3.08Å
406I95Very high92.5Very high0 Ų08.8 Ų8.80%04%0.043CC..Hα-helixtrans-62.9-50.9168.7-72.1166.7000109.4L318 E402 I403 A408 Q409 L410 F477 V479 L557L318-I406 HydrophobicContact CD2-CD1 4.2Å; E402-I406 WeakPolarHBondContact O-CG1 3.4Å; E402-I406 PolarHBondContact O-N 2.91Å; I403-I406 WeakPolarHBondContact O-CB 3.49Å; I403-I406 PolarHBondContact O-N 3.15Å; I403-I406 VanDerWaalsContact O-N 3.15Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 2.91Å; I406-Q409 WeakPolarHBondContact O-CB 3.28Å; I406-Q409 PolarHBondContact O-N 3.26Å; I406-Q409 VanDerWaalsContact O-N 3.15Å; I406-L410 HydrophobicContact CG2-CD1 4.28Å; I406-L410 WeakPolarHBondContact O-CG 3.42Å; I406-L410 PolarHBondContact O-N 2.57Å; I406-F477 HydrophobicContact CD1-CD2 3.98Å; I406-F477 HydrophobicContact CG1-CB 4.38Å; I406-V479 HydrophobicContact CG1-CG1 4.18Å; I406-V479 HydrophobicContact CG2-CG1 4.09Å; I406-V479 HydrophobicContact CG2-CG2 4.32Å; I406-L557 HydrophobicContact CG2-CD1 4.38Å; I406-L557 HydrophobicContact CG2-CD2 4.26Å
407I97.6Very high93.2Very high2 Ų28.4 Ų8.41%0.014%0.041CC..Hα-helixtrans-59.7-44-179.3-63.4163.6000110.5I403 V404 Q409 L410 F411 I554 L557 F558 M590 L615I403-I407 HydrophobicContact CG2-CD1 3.77Å; I403-I407 HydrophobicContact CG2-CG1 4.46Å; I403-I407 WeakPolarHBondContact O-CG1 3.43Å; I403-I407 PolarHBondContact O-N 3.26Å; V404-I407 PolarHBondContact O-N 2.81Å; I407-Q409 VanDerWaalsContact C-N 3.33Å; I407-Q409 PolarHBondContact O-N 3.25Å; I407-L410 WeakPolarHBondContact O-CB 3.21Å; I407-L410 PolarHBondContact O-N 3.36Å; I407-L410 VanDerWaalsContact O-N 3.09Å; I407-F411 HydrophobicContact CG2-CD2 3.71Å; I407-F411 HydrophobicContact CG2-CE2 3.65Å; I407-F411 WeakPolarHBondContact O-CD2 3.41Å; I407-F411 PolarHBondContact O-N 2.97Å; I407-I554 HydrophobicContact CD1-CG1 4.08Å; I407-L557 HydrophobicContact CD1-CD1 3.99Å; I407-L557 HydrophobicContact CG1-CD1 3.47Å; I407-L557 VanDerWaalsContact CG1-CD1 3.47Å; I407-F558 HydrophobicContact CD1-CE2 4.06Å; I407-M590 HydrophobicContact CD1-SD 3.61Å; I407-L615 HydrophobicContact CB-CD1 4.47Å; I407-L615 HydrophobicContact CG2-CD1 3.76Å
408A96.6Very high93.6Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-57.1-45.3176.600000112.1V404 I406 L410 F411 E412 L615 H616V404-A408 WeakPolarHBondContact O-CB 3.28Å; V404-A408 PolarHBondContact O-N 3.05Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 2.91Å; A408-L410 VanDerWaalsContact C-N 3.31Å; A408-L410 PolarHBondContact O-N 3.13Å; A408-F411 PolarHBondContact O-N 3.09Å; A408-E412 WeakPolarHBondContact O-CG 3.15Å; A408-E412 PolarHBondContact O-N 3.02Å; A408-L615 HydrophobicContact CB-CB 3.77Å; A408-L615 HydrophobicContact CB-CD1 4.2Å; A408-H616 VanDerWaalsContact CB-CE1 3.49Å; A408-H616 WeakPolarHBondContact CB-CE1 3.47Å
409Q95.1Very high93.7Very high0 Ų010.7 Ų10.70%07%0.067CC..Hα-helixtrans-63.1-33.5176.4-77.9-179.89700113.2N234 A405 I406 I407 A413 F477 V479 V695N234-Q409 WeakPolarHBondContact CB-O 3.48Å; N234-Q409 VanDerWaalsContact CG-O 3.28Å; N234-Q409 VanDerWaalsContact ND2-CB 3.35Å; N234-Q409 WeakPolarHBondContact ND2-CB 2.88Å; N234-Q409 WeakPolarHBondContact ND2-CG 2.96Å; N234-Q409 PolarHBondContact ND2-OE1 3.46Å; N234-Q409 VanDerWaalsContact ND2-OE1 3.15Å; A405-Q409 VanDerWaalsContact O-CG 3.3Å; A405-Q409 WeakPolarHBondContact O-CG 3.39Å; A405-Q409 PolarHBondContact O-N 3.16Å; A405-Q409 PolarHBondContact O-NE2 3.08Å; I406-Q409 WeakPolarHBondContact O-CB 3.28Å; I406-Q409 PolarHBondContact O-N 3.26Å; I406-Q409 VanDerWaalsContact O-N 3.15Å; I407-Q409 VanDerWaalsContact C-N 3.33Å; I407-Q409 PolarHBondContact O-N 3.25Å; Q409-A413 PolarHBondContact O-N 2.83Å; Q409-A413 VanDerWaalsContact O-N 3.16Å; Q409-F477 PolarHBondContact NE2-O 3.4Å; Q409-F477 VanDerWaalsContact NE2-O 3.07Å; Q409-V479 HydrophobicContact CB-CG2 3.4Å; Q409-V479 VanDerWaalsContact CB-CG2 3.4Å; Q409-V479 HydrophobicContact CG-CG2 4.32Å; Q409-V695 HydrophobicContact CG-CG1 4.09Å
410L97.7Very high93.9Very high6 Ų613.7 Ų13.73%0.0318%0.081CC..Hα-helixtrans-70.4-42.7175.5-63.1178.5000111.4I406 I407 A408 E412 A413 V414 I432 V479 I550 L553I406-L410 HydrophobicContact CG2-CD1 4.28Å; I406-L410 WeakPolarHBondContact O-CG 3.42Å; I406-L410 PolarHBondContact O-N 2.57Å; I407-L410 WeakPolarHBondContact O-CB 3.21Å; I407-L410 PolarHBondContact O-N 3.36Å; I407-L410 VanDerWaalsContact O-N 3.09Å; A408-L410 VanDerWaalsContact C-N 3.31Å; A408-L410 PolarHBondContact O-N 3.13Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.2Å; L410-A413 WeakPolarHBondContact O-CB 3.43Å; L410-A413 PolarHBondContact O-N 2.81Å; L410-A413 VanDerWaalsContact O-N 3.14Å; L410-V414 PolarHBondContact O-N 3Å; L410-V414 VanDerWaalsContact O-N 3.11Å; L410-I432 HydrophobicContact CD1-CD1 3.95Å; L410-I432 HydrophobicContact CD2-CD1 3.76Å; L410-I432 HydrophobicContact CD2-CG1 3.97Å; L410-I432 HydrophobicContact CD2-CG2 3.71Å; L410-V479 HydrophobicContact CD2-CB 4.47Å; L410-V479 HydrophobicContact CD2-CG2 3.99Å; L410-V479 HydrophobicContact CG-CG2 4.31Å; L410-I550 HydrophobicContact CB-CD1 3.95Å; L410-I550 HydrophobicContact CB-CG2 4.15Å; L410-I550 VanDerWaalsContact O-CD1 3.28Å; L410-I550 WeakPolarHBondContact O-CD1 3.36Å; L410-L553 HydrophobicContact CD1-CD1 4.36Å
411F98Very high94Very high0 Ų014 Ų140%09%0.085CC..Hα-helixtrans-64.9-35.5174-83.2-78.1000112.4I407 A408 A413 V414 A415 I547 I550 I593 A608 I611 A612 L615I407-F411 HydrophobicContact CG2-CD2 3.71Å; I407-F411 HydrophobicContact CG2-CE2 3.65Å; I407-F411 WeakPolarHBondContact O-CD2 3.41Å; I407-F411 PolarHBondContact O-N 2.97Å; A408-F411 PolarHBondContact O-N 3.09Å; F411-A413 VanDerWaalsContact C-N 3.31Å; F411-A413 PolarHBondContact O-N 2.87Å; F411-V414 PolarHBondContact O-N 2.94Å; F411-A415 VanDerWaalsContact O-CB 3.31Å; F411-A415 WeakPolarHBondContact O-CB 3.44Å; F411-A415 PolarHBondContact O-N 2.75Å; F411-I547 HydrophobicContact CE1-CG2 4.33Å; F411-I550 HydrophobicContact CD2-CG2 3.96Å; F411-I550 HydrophobicContact CE1-CG2 4.25Å; F411-I550 HydrophobicContact CE2-CG2 3.62Å; F411-I550 HydrophobicContact CG-CG2 4.41Å; F411-I550 HydrophobicContact CZ-CG2 3.77Å; F411-I593 HydrophobicContact CE2-CG2 4.2Å; F411-I593 HydrophobicContact CZ-CG2 4.04Å; F411-A608 HydrophobicContact CD1-CB 4.17Å; F411-I611 HydrophobicContact CB-CG2 4.44Å; F411-I611 HydrophobicContact CD1-CB 3.78Å; F411-I611 HydrophobicContact CD1-CG1 4.44Å; F411-I611 HydrophobicContact CD1-CG2 3.65Å; F411-I611 HydrophobicContact CD2-CG2 3.65Å; F411-I611 HydrophobicContact CE1-CB 3.98Å; F411-I611 HydrophobicContact CE1-CG1 4.22Å; F411-I611 HydrophobicContact CE1-CG2 3.68Å; F411-I611 HydrophobicContact CE2-CG2 3.67Å; F411-I611 HydrophobicContact CG-CB 4.12Å; F411-I611 HydrophobicContact CG-CG2 3.64Å; F411-I611 HydrophobicContact CZ-CB 4.48Å; F411-I611 HydrophobicContact CZ-CG2 3.7Å; F411-A612 HydrophobicContact CB-CB 4Å; F411-L615 HydrophobicContact CD2-CD1 3.74Å; F411-L615 HydrophobicContact CE2-CD1 4.33Å; F411-L615 HydrophobicContact CG-CD1 4.46Å
412E95.6Very high94.3Very high1 Ų112.7 Ų12.71%0.0058%0.079CC..Hα-helixtrans-59.2-41.7170-71.7-73.1-171.900111.6H232 A408 L410 V414 A415 E416 A612 H616 L698 F699 R702H232-E412 VanDerWaalsContact CE1-C 3.47Å; H232-E412 PolarHBondContact CE1-O 2.93Å; H232-E412 VanDerWaalsContact CE1-O 3.31Å; H232-E412 PolarHBondContact NE2-O 2.56Å; A408-E412 WeakPolarHBondContact O-CG 3.15Å; A408-E412 PolarHBondContact O-N 3.02Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.2Å; E412-V414 PolarHBondContact O-N 2.88Å; E412-A415 PolarHBondContact O-N 2.83Å; E412-E416 PolarHBondContact O-N 3.21Å; E412-A612 HydrophobicContact CG-CB 4.02Å; E412-H616 IonicContact OE1-CD2 3.58Å; E412-H616 PolarHBondContact OE1-CD2 3.26Å; E412-H616 IonicContact OE1-NE2 3.37Å; E412-H616 PolarHBondContact OE1-NE2 2.78Å; E412-L698 HydrophobicContact CB-CD1 4.11Å; E412-L698 HydrophobicContact CG-CD1 4.26Å; E412-L698 WeakPolarHBondContact OE1-CB 3.37Å; E412-L698 WeakPolarHBondContact OE2-CB 3.23Å; E412-L698 WeakPolarHBondContact OE2-CD1 3.42Å; E412-F699 PolarHBondContact OE1-N 2.93Å; E412-R702 IonicContact OE1-CZ 3.87Å; E412-R702 IonicContact OE1-NH1 2.68Å; E412-R702 IonicContact OE1-NH2 3.61Å; E412-R702 PolarHBondContact OE1-NH2 3.18Å; E412-R702 IonicContact OE2-CZ 2.82Å; E412-R702 IonicContact OE2-NH1 3.36Å; E412-R702 PolarHBondContact OE2-NH1 3.32Å; E412-R702 IonicContact OE2-NH2 3.48Å; E412-R702 PolarHBondContact OE2-NH2 2.9Å; E412-R702 VanDerWaalsContact OE2-NH2 3.15Å
413A95.9Very high94.5Very high2 Ų212.5 Ų12.52%0.0178%0.078CC..Hα-helixtrans-61.7-44.9176.700000112.2N234 I235 Q409 L410 F411 E416 L417 L481N234-A413 HydrophobicContact CB-CB 3.81Å; N234-A413 VanDerWaalsContact O-CB 3.27Å; N234-A413 WeakPolarHBondContact O-CB 3.44Å; I235-A413 HydrophobicContact CG1-CB 4.23Å; Q409-A413 PolarHBondContact O-N 2.83Å; Q409-A413 VanDerWaalsContact O-N 3.16Å; L410-A413 WeakPolarHBondContact O-CB 3.43Å; L410-A413 PolarHBondContact O-N 2.81Å; L410-A413 VanDerWaalsContact O-N 3.14Å; F411-A413 VanDerWaalsContact C-N 3.31Å; F411-A413 PolarHBondContact O-N 2.87Å; A413-E416 WeakPolarHBondContact O-CB 3.18Å; A413-E416 PolarHBondContact O-N 3.27Å; A413-L417 WeakPolarHBondContact O-CG 3.35Å; A413-L417 PolarHBondContact O-N 3.37Å; A413-L481 HydrophobicContact CB-CB 4.41Å
414V97.2Very high94.5Very high0 Ų012.5 Ų12.50%08%0.078CC..Hα-helixtrans-73.6-32.9179.2167.50000112.2L410 F411 E412 E416 L417 E418 I427 D546 I547 I550 A608L410-V414 PolarHBondContact O-N 3Å; L410-V414 VanDerWaalsContact O-N 3.11Å; F411-V414 PolarHBondContact O-N 2.94Å; E412-V414 PolarHBondContact O-N 2.88Å; V414-E416 PolarHBondContact O-N 3.09Å; V414-L417 HydrophobicContact CG2-CD1 4.44Å; V414-L417 PolarHBondContact O-N 3.48Å; V414-E418 HydrophobicContact CG1-CG 4.1Å; V414-E418 WeakPolarHBondContact O-CG 3.12Å; V414-E418 PolarHBondContact O-N 2.8Å; V414-I427 HydrophobicContact CG2-CD1 3.78Å; V414-D546 HydrophobicContact CG1-CB 3.92Å; V414-D546 HydrophobicContact CG2-CB 3.91Å; V414-I547 HydrophobicContact CG1-CG1 3.98Å; V414-I550 HydrophobicContact CB-CD1 3.87Å; V414-I550 HydrophobicContact CG2-CD1 3.17Å; V414-I550 HydrophobicContact CG2-CG1 4.15Å; V414-A608 HydrophobicContact CB-CB 4.13Å; V414-A608 HydrophobicContact CG1-CB 3.74Å
415A95.1Very high94.4Very high10 Ų1013 Ų138%0.0838%0.081CC..Hα-helixtrans-55.3-41.417100000111.5F411 E412 A419 A608 D609F411-A415 VanDerWaalsContact O-CB 3.31Å; F411-A415 WeakPolarHBondContact O-CB 3.44Å; F411-A415 PolarHBondContact O-N 2.75Å; E412-A415 PolarHBondContact O-N 2.83Å; A415-A419 VanDerWaalsContact O-CB 3.27Å; A415-A419 WeakPolarHBondContact O-CB 3.42Å; A415-A419 PolarHBondContact O-N 2.98Å; A415-A608 HydrophobicContact CB-CB 4.03Å; A415-D609 HydrophobicContact CB-CB 3.83Å
416E93.3Very high94.4Very high29 Ų2913.2 Ų13.214%0.1368%0.081CC..Hα-helixtrans-66.6-39.2176-173.563.6-152.600112.8P228 T230 H232 I235 E412 A413 V414 H420P228-E416 HydrophobicContact CB-CG 4.01Å; P228-E416 HydrophobicContact CG-CG 4.01Å; T230-E416 VanDerWaalsContact CB-OE1 3.27Å; T230-E416 WeakPolarHBondContact CB-OE1 3.36Å; T230-E416 VanDerWaalsContact CG2-OE1 3.27Å; T230-E416 WeakPolarHBondContact CG2-OE1 3.07Å; T230-E416 VanDerWaalsContact OG1-CD 3.27Å; T230-E416 PolarHBondContact OG1-OE1 3.44Å; H232-E416 HydrophobicContact CB-CG 3.94Å; H232-E416 VanDerWaalsContact CD2-CB 3.49Å; H232-E416 WeakPolarHBondContact CD2-CB 3.34Å; H232-E416 IonicContact CD2-OE2 2.72Å; H232-E416 PolarHBondContact CD2-OE2 3.48Å; I235-E416 HydrophobicContact CD1-CB 4Å; I235-E416 HydrophobicContact CD1-CG 3.83Å; E412-E416 PolarHBondContact O-N 3.21Å; A413-E416 WeakPolarHBondContact O-CB 3.18Å; A413-E416 PolarHBondContact O-N 3.27Å; V414-E416 PolarHBondContact O-N 3.09Å; E416-H420 PolarHBondContact O-N 3.07Å; E416-H420 PolarHBondContact O-ND1 2.84Å; E416-H420 IonicContact OE1-CE1 2.7Å; E416-H420 PolarHBondContact OE1-CE1 2.77Å; E416-H420 IonicContact OE1-ND1 3.15Å; E416-H420 PolarHBondContact OE1-ND1 2.88Å; E416-H420 VanDerWaalsContact OE1-ND1 3.14Å; E416-H420 IonicContact OE1-NE2 3.08Å
417L94.8Very high94.4Very high0 Ų013.4 Ų13.40%08%0.082CC..Hα-helixtrans-66.6-47.7175.6-63.2-175.8000111.8P228 I235 A413 V414 A419 H420 G421 I422 H424 L481 F484P228-L417 HydrophobicContact CG-CD2 3.8Å; I235-L417 HydrophobicContact CD1-CD2 3.95Å; I235-L417 HydrophobicContact CD1-CG 4.4Å; A413-L417 WeakPolarHBondContact O-CG 3.35Å; A413-L417 PolarHBondContact O-N 3.37Å; V414-L417 HydrophobicContact CG2-CD1 4.44Å; V414-L417 PolarHBondContact O-N 3.48Å; L417-A419 VanDerWaalsContact C-N 3.31Å; L417-A419 PolarHBondContact O-N 3.32Å; L417-H420 CarbonylContact O-C 3.57Å; L417-H420 PolarHBondContact O-N 2.94Å; L417-H420 VanDerWaalsContact O-N 3.1Å; L417-G421 PolarHBondContact O-N 2.99Å; L417-G421 VanDerWaalsContact O-N 3.09Å; L417-I422 CarbonylContact C-O 3.03Å; L417-I422 HydrophobicContact CB-CB 4.38Å; L417-I422 WeakPolarHBondContact CB-O 3.12Å; L417-I422 HydrophobicContact CD2-CB 4.33Å; L417-I422 HydrophobicContact CD2-CG2 4.08Å; L417-I422 PolarHBondContact O-N 3.14Å; L417-H424 HydrophobicContact CD1-CB 3.9Å; L417-L481 HydrophobicContact CD1-CD2 3.75Å; L417-F484 HydrophobicContact CD2-CE1 3.58Å; L417-F484 HydrophobicContact CD2-CZ 3.85Å
418E93.5Very high94.2Very high39 Ų3916 Ų1618%0.1829%0.093CC..Hα-helixtrans-57.7-44.7176-74.5-167.2140.500110.9V414 H420 G421 H544 I547 A608V414-E418 HydrophobicContact CG1-CG 4.1Å; V414-E418 WeakPolarHBondContact O-CG 3.12Å; V414-E418 PolarHBondContact O-N 2.8Å; E418-H420 PolarHBondContact O-N 3.38Å; E418-G421 PolarHBondContact O-N 2.99Å; E418-H544 IonicContact OE1-CE1 2.71Å; E418-H544 PolarHBondContact OE1-CE1 2.72Å; E418-H544 IonicContact OE1-CG 3.36Å; E418-H544 IonicContact OE1-ND1 3.26Å; E418-H544 PolarHBondContact OE1-ND1 3.15Å; E418-I547 WeakPolarHBondContact OE1-CD1 3.38Å; E418-A608 WeakPolarHBondContact OE2-CB 3.47Å; E418-A608 PolarHBondContact OE2-N 2.87Å
419A91Very high94.2Very high79 Ų7917 Ų1765%0.65310%0.1SC*.Hα-helixtrans-60.8-29.8177.800000113.2A415 L417A415-A419 VanDerWaalsContact O-CB 3.27Å; A415-A419 WeakPolarHBondContact O-CB 3.42Å; A415-A419 PolarHBondContact O-N 2.98Å; L417-A419 VanDerWaalsContact C-N 3.31Å; L417-A419 PolarHBondContact O-N 3.32Å
420H90.1Very high94.1Very high68 Ų6820.8 Ų20.832%0.31512%0.119SC..THydrogen-bonded Turntrans-93.21.3176.8-73.477.4000113.7E416 L417 E418 I422E416-H420 PolarHBondContact O-N 3.07Å; E416-H420 PolarHBondContact O-ND1 2.84Å; E416-H420 IonicContact OE1-CE1 2.7Å; E416-H420 PolarHBondContact OE1-CE1 2.77Å; E416-H420 IonicContact OE1-ND1 3.15Å; E416-H420 PolarHBondContact OE1-ND1 2.88Å; E416-H420 VanDerWaalsContact OE1-ND1 3.14Å; E416-H420 IonicContact OE1-NE2 3.08Å; L417-H420 CarbonylContact O-C 3.57Å; L417-H420 PolarHBondContact O-N 2.94Å; L417-H420 VanDerWaalsContact O-N 3.1Å; E418-H420 PolarHBondContact O-N 3.38Å; H420-I422 HydrophobicContact CB-CD1 3.73Å; H420-I422 HydrophobicContact CB-CG1 3.99Å
421G92.1Very high93.9Very high12 Ų1221 Ų2112%0.12412%0.121CC..THydrogen-bonded Turntrans60.350.7-174.900000111.2L417 E418 R489 T490L417-G421 PolarHBondContact O-N 2.99Å; L417-G421 VanDerWaalsContact O-N 3.09Å; E418-G421 PolarHBondContact O-N 2.99Å; G421-R489 CarbonylContact O-C 3.53Å; G421-R489 VanDerWaalsContact O-CA 3.26Å; G421-R489 WeakPolarHBondContact O-CA 3.32Å; G421-T490 VanDerWaalsContact CA-OG1 3.31Å; G421-T490 WeakPolarHBondContact CA-OG1 3.46Å; G421-T490 PolarHBondContact O-N 3.18Å; G421-T490 PolarHBondContact O-OG1 3.04Å
422I92.1Very high93.9Very high7 Ų721.1 Ų21.14%0.03612%0.121CC..EExtended strand (participates in β ladder)trans-124.4138.7-179.5-59.8174.8000108.3L226 P228 L417 H420 A487 I488L226-I422 HydrophobicContact CB-CG2 4.35Å; L226-I422 WeakPolarHBondContact O-CD1 3.23Å; P228-I422 HydrophobicContact CG-CD1 4.38Å; L417-I422 CarbonylContact C-O 3.03Å; L417-I422 HydrophobicContact CB-CB 4.38Å; L417-I422 WeakPolarHBondContact CB-O 3.12Å; L417-I422 HydrophobicContact CD2-CB 4.33Å; L417-I422 HydrophobicContact CD2-CG2 4.08Å; L417-I422 PolarHBondContact O-N 3.14Å; H420-I422 HydrophobicContact CB-CD1 3.73Å; H420-I422 HydrophobicContact CB-CG1 3.99Å; I422-A487 HydrophobicContact CG2-CB 4.37Å; I422-I488 WeakPolarHBondContact CA-O 2.91Å
423A93.4Very high93.9Very high1 Ų122.5 Ų22.51%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-118131.6166.400000108.9R425 A487 I488 T490 D546A423-R425 HydrophobicContact CB-CG 4.14Å; A423-A487 CarbonylContact O-C 3.6Å; A423-A487 WeakPolarHBondContact O-CA 3.33Å; A423-I488 HydrophobicContact CB-CG1 4.14Å; A423-I488 PolarHBondContact N-O 3.07Å; A423-I488 PolarHBondContact O-N 3.39Å; A423-T490 HydrophobicContact CB-CG2 3.54Å; A423-D546 WeakPolarHBondContact CA-OD2 3.31Å
424H93.8Very high93.7Very high0 Ų022.4 Ų22.40%013%0.128CC..  trans-72.8-43.4179.6-168.4-90.5000112L417 D426 I427 L481 T482 D483 C486 A487 D546L417-H424 HydrophobicContact CD1-CB 3.9Å; H424-D426 PolarHBondContact ND1-N 3.44Å; H424-D426 PolarHBondContact O-N 3.43Å; H424-I427 HydrophobicContact CB-CD1 4.4Å; H424-I427 HydrophobicContact CB-CG1 4.03Å; H424-L481 HydrophobicContact CB-CD2 4.19Å; H424-L481 VanDerWaalsContact CD2-CD2 3.43Å; H424-L481 WeakPolarHBondContact CD2-CD2 3.38Å; H424-T482 PolarHBondContact CE1-O 3.09Å; H424-T482 PolarHBondContact NE2-O 3.31Å; H424-D483 PolarHBondContact CE1-O 3.31Å; H424-D483 PolarHBondContact NE2-O 2.75Å; H424-C486 CarbonylContact O-C 3.47Å; H424-A487 PolarHBondContact O-N 2.55Å; H424-D546 WeakPolarHBondContact CB-OD2 3.06Å; H424-D546 PolarHBondContact N-OD2 3.46Å
425R92.7Very high93.2Very high12 Ų1225.6 Ų25.65%0.04514%0.14CC..SBendtrans64.3-6.1178.9-52.2-169.5-61.2163.513.5117.3A423 C486 I488 S512 N514 Y542 D546A423-R425 HydrophobicContact CB-CG 4.14Å; R425-C486 HydrophobicContact CB-CB 4.45Å; R425-C486 PolarHBondContact NE-O 2.88Å; R425-C486 PolarHBondContact NH2-O 3.39Å; R425-I488 HydrophobicContact CG-CG1 4.28Å; R425-S512 PolarHBondContact NH2-OG 3.25Å; R425-S512 VanDerWaalsContact NH2-OG 3.08Å; R425-N514 PolarHBondContact O-N 3.17Å; R425-Y542 VanDerWaalsContact CD-CE1 3.41Å; R425-Y542 HydrophobicContact CG-CD1 3.75Å; R425-Y542 HydrophobicContact CG-CE1 3.92Å; R425-Y542 HydrophobicContact CG-CG 4.47Å; R425-D546 PolarHBondContact N-OD1 2.84Å; R425-D546 VanDerWaalsContact N-OD1 3.14Å
426D92.8Very high92.5Very high10 Ų1028.6 Ų28.65%0.05315%0.149CC..  trans-128.942.3176.8-164.232.4000111.8H424 K428 N431 C486 N514H424-D426 PolarHBondContact ND1-N 3.44Å; H424-D426 PolarHBondContact O-N 3.43Å; D426-K428 PolarHBondContact O-N 2.76Å; D426-K428 WeakPolarHBondContact OD1-CE 3.43Å; D426-K428 IonicContact OD1-NZ 3.13Å; D426-K428 PolarHBondContact OD1-NZ 3.13Å; D426-K428 IonicContact OD2-NZ 3.4Å; D426-K428 PolarHBondContact OD2-NZ 2.83Å; D426-N431 VanDerWaalsContact CG-ND2 3.31Å; D426-N431 PolarHBondContact O-ND2 2.81Å; D426-N431 PolarHBondContact OD2-ND2 3.29Å; D426-C486 HydrophobicContact CB-CB 3.92Å; D426-N514 WeakPolarHBondContact OD1-CB 3.34Å; D426-N514 PolarHBondContact OD1-N 2.87Å; D426-N514 VanDerWaalsContact OD1-N 3.13Å
427I94.8Very high91.6Very high3 Ų328.9 Ų28.92%0.01515%0.149CC..  trans-72122.9174.9-64.1-175.1000108.9V414 H424 L481 N514 D546 A549 I550 L553V414-I427 HydrophobicContact CG2-CD1 3.78Å; H424-I427 HydrophobicContact CB-CD1 4.4Å; H424-I427 HydrophobicContact CB-CG1 4.03Å; I427-L481 HydrophobicContact CG1-CD1 4.27Å; I427-N514 PolarHBondContact O-ND2 3.29Å; I427-D546 HydrophobicContact CD1-CB 3.57Å; I427-A549 HydrophobicContact CB-CB 3.95Å; I427-A549 HydrophobicContact CG2-CB 4.24Å; I427-I550 HydrophobicContact CD1-CD1 4.15Å; I427-I550 HydrophobicContact CD1-CG1 3.82Å; I427-I550 HydrophobicContact CG2-CG1 3.87Å; I427-L553 HydrophobicContact CG2-CD1 4.03Å
428K93.4Very high89.9Confident58 Ų5833.6 Ų33.625%0.25218%0.177SC..SBendtrans-164.8160.8177.661.7-165.9177.3-149.30109.7D426 N430 N431D426-K428 PolarHBondContact O-N 2.76Å; D426-K428 WeakPolarHBondContact OD1-CE 3.43Å; D426-K428 IonicContact OD1-NZ 3.13Å; D426-K428 PolarHBondContact OD1-NZ 3.13Å; D426-K428 IonicContact OD2-NZ 3.4Å; D426-K428 PolarHBondContact OD2-NZ 2.83Å; K428-N430 HydrophobicContact CG-CB 4.43Å; K428-N430 PolarHBondContact O-N 3.46Å; K428-N430 VanDerWaalsContact O-N 3.13Å; K428-N431 WeakPolarHBondContact CE-ND2 3.23Å; K428-N431 HydrophobicContact CG-CB 4.2Å; K428-N431 PolarHBondContact O-N 2.89Å
429P95.2Very high87.9Confident21 Ų2133.5 Ų33.514%0.13618%0.18CC..G310 helixtrans-51.8-37.6-178.7-30.738.3000114.9L315 D316 L319 N431 I432 L553L315-P429 HydrophobicContact CB-CB 4.28Å; L315-P429 WeakPolarHBondContact CB-O 3.19Å; L315-P429 HydrophobicContact CG-CB 4.37Å; L315-P429 PolarHBondContact N-O 3Å; D316-P429 HydrophobicContact CB-CB 3.75Å; D316-P429 PolarHBondContact N-O 3.27Å; L319-P429 HydrophobicContact CD1-CB 3.98Å; L319-P429 HydrophobicContact CD1-CG 3.93Å; P429-N431 VanDerWaalsContact C-N 3.26Å; P429-N431 PolarHBondContact O-N 3.09Å; P429-I432 PolarHBondContact O-N 3.07Å; P429-L553 HydrophobicContact CG-CD2 4.03Å
430N93.1Very high85.8Confident78 Ų7835.2 Ų35.242%0.41717%0.173SC..G310 helixtrans-65.7-26.2179.2-60.727000113.7T314 D316 K428 I432T314-N430 WeakPolarHBondContact CG2-O 3.28Å; D316-N430 WeakPolarHBondContact CB-OD1 3.09Å; D316-N430 PolarHBondContact OD2-OD1 2.89Å; K428-N430 HydrophobicContact CG-CB 4.43Å; K428-N430 PolarHBondContact O-N 3.46Å; K428-N430 VanDerWaalsContact O-N 3.13Å; N430-I432 VanDerWaalsContact C-N 3.34Å
431N94.9Very high83.7Confident12 Ų1235.1 Ų35.16%0.06417%0.172CC..G310 helixtrans-94.68.8-179.7-72.5-5.6000112.6D426 K428 P429 T482D426-N431 VanDerWaalsContact CG-ND2 3.31Å; D426-N431 PolarHBondContact O-ND2 2.81Å; D426-N431 PolarHBondContact OD2-ND2 3.29Å; K428-N431 WeakPolarHBondContact CE-ND2 3.23Å; K428-N431 HydrophobicContact CG-CB 4.2Å; K428-N431 PolarHBondContact O-N 2.89Å; P429-N431 VanDerWaalsContact C-N 3.26Å; P429-N431 PolarHBondContact O-N 3.09Å; N431-T482 WeakPolarHBondContact O-CG2 3.24Å; N431-T482 PolarHBondContact O-N 3.1Å
432I96.8Very high81.2Confident1 Ų136.9 Ų36.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-111.9113.3173.4-64.6164.2000106.9T314 L315 L410 P429 N430 V479 L481 L553T314-I432 CarbonylContact C-O 3.44Å; T314-I432 VanDerWaalsContact CA-O 3.28Å; T314-I432 WeakPolarHBondContact CA-O 3.28Å; L315-I432 HydrophobicContact CB-CB 3.83Å; L315-I432 HydrophobicContact CB-CG2 3.84Å; L315-I432 HydrophobicContact CD2-CB 4.33Å; L315-I432 HydrophobicContact CD2-CD1 3.77Å; L315-I432 HydrophobicContact CD2-CG2 4.17Å; L315-I432 PolarHBondContact N-O 3.03Å; L410-I432 HydrophobicContact CD1-CD1 3.95Å; L410-I432 HydrophobicContact CD2-CD1 3.76Å; L410-I432 HydrophobicContact CD2-CG1 3.97Å; L410-I432 HydrophobicContact CD2-CG2 3.71Å; P429-I432 PolarHBondContact O-N 3.07Å; N430-I432 VanDerWaalsContact C-N 3.34Å; I432-V479 HydrophobicContact CG2-CB 4.04Å; I432-V479 HydrophobicContact CG2-CG1 4.43Å; I432-L481 HydrophobicContact CG1-CD1 4.31Å; I432-L553 HydrophobicContact CD1-CD1 3.43Å; I432-L553 VanDerWaalsContact CD1-CD1 3.43Å
433L95.2Very high78.5Confident30 Ų3040.7 Ų40.716%0.15721%0.206CC..EExtended strand (participates in β ladder)trans-90.4142.2178.7-55.5-171.3000110.6V236 F311 A313 T314 V479 A480 T482V236-L433 HydrophobicContact CG2-CD1 3.82Å; V236-L433 HydrophobicContact CG2-CG 4.26Å; F311-L433 HydrophobicContact CB-CB 3.67Å; F311-L433 HydrophobicContact CB-CD1 4.01Å; F311-L433 HydrophobicContact CB-CG 4.42Å; F311-L433 HydrophobicContact CD1-CB 3.49Å; F311-L433 VanDerWaalsContact CD1-CB 3.49Å; F311-L433 HydrophobicContact CD2-CB 4.09Å; F311-L433 HydrophobicContact CD2-CD1 3.81Å; F311-L433 HydrophobicContact CE1-CB 4.1Å; F311-L433 HydrophobicContact CG-CB 3.48Å; F311-L433 VanDerWaalsContact CG-CB 3.48Å; F311-L433 HydrophobicContact CG-CD1 3.94Å; F311-L433 HydrophobicContact CG-CG 4.37Å; A313-L433 WeakPolarHBondContact O-CA 3.41Å; T314-L433 HydrophobicContact CG2-CD2 4.02Å; L433-V479 CarbonylContact O-C 3.57Å; L433-V479 WeakPolarHBondContact O-CA 3.49Å; L433-A480 PolarHBondContact N-O 2.73Å; L433-A480 PolarHBondContact O-N 3.25Å; L433-T482 HydrophobicContact CD1-CG2 4.07Å; L433-T482 HydrophobicContact CD2-CG2 3.88Å; L433-T482 HydrophobicContact CG-CG2 3.71Å
434I93Very high75.6Confident0 Ų046.6 Ų46.60%024%0.238CC..EExtended strand (participates in β ladder)trans-122.2143178.7-165.3170.3000111.1E312 A313 T314 L318 F323 F477 V479E312-I434 PolarHBondContact N-O 2.84Å; A313-I434 HydrophobicContact CB-CG2 3.86Å; A313-I434 PolarHBondContact N-O 3.38Å; A313-I434 VanDerWaalsContact N-O 3.09Å; A313-I434 PolarHBondContact O-N 3.48Å; T314-I434 WeakPolarHBondContact O-CG2 3.36Å; L318-I434 HydrophobicContact CD2-CD1 3.61Å; F323-I434 HydrophobicContact CD1-CD1 4.44Å; F323-I434 HydrophobicContact CD1-CG2 3.98Å; F323-I434 HydrophobicContact CE1-CD1 4.21Å; F323-I434 HydrophobicContact CE1-CG1 4.33Å; F323-I434 HydrophobicContact CE1-CG2 3.94Å; I434-F477 HydrophobicContact CD1-CB 3.79Å; I434-F477 HydrophobicContact CD1-CD1 3.55Å; I434-F477 HydrophobicContact CD1-CD2 4.12Å; I434-F477 HydrophobicContact CD1-CE1 4.15Å; I434-F477 HydrophobicContact CD1-CG 3.54Å; I434-F477 HydrophobicContact CG1-CB 3.91Å; I434-F477 HydrophobicContact CG1-CD1 3.83Å; I434-F477 HydrophobicContact CG1-CG 4.03Å; I434-V479 HydrophobicContact CB-CG1 4.3Å; I434-V479 HydrophobicContact CD1-CG1 4.23Å; I434-V479 HydrophobicContact CG1-CG1 3.99Å
435R86.1Confident72.8Confident68 Ų6853.8 Ų53.826%0.25727%0.271SS..EExtended strand (participates in β ladder)trans-143.6158.116866.6-178.7-176.3126.3-0.9109.2F311 E312 H478F311-R435 HydrophobicContact CD1-CB 4.04Å; F311-R435 HydrophobicContact CD1-CG 3.93Å; F311-R435 HydrophobicContact CE1-CG 4.11Å; E312-R435 HydrophobicContact CB-CB 4.48Å; E312-R435 HydrophobicContact CG-CB 4.09Å; R435-H478 HydrophobicContact CG-CB 3.87Å; R435-H478 PolarHBondContact N-O 3.49Å; R435-H478 VanDerWaalsContact N-O 3.1Å; R435-H478 PolarHBondContact NE-ND1 3.07Å; R435-H478 PolarHBondContact O-N 3.06Å
436R80.9Confident69.9Low72 Ų7256.6 Ų56.627%0.27229%0.29SS..EExtended strand (participates in β ladder)trans-71.6139172-65.6174.9-174.4-177.23.5109.6E312 F323 K324 V438 H476 F477E312-R436 PolarHBondContact OE1-N 3.24Å; E312-R436 IonicContact OE2-NE 3.66Å; F323-R436 HydrophobicContact CZ-CG 4.28Å; K324-R436 PolarHBondContact O-NH2 3.47Å; R436-V438 PolarHBondContact O-N 3.11Å; R436-H476 CarbonylContact C-O 3.35Å; R436-H476 WeakPolarHBondContact CA-O 3.44Å; R436-F477 HydrophobicContact CG-CE1 4.39Å
437R74.2Confident67.1Low35 Ų3560.7 Ų60.713%0.13232%0.319CS..PPolyproline II helixtrans-74.8123.8167.7-77.6-169.4130.295.4-5.3108.4P439 N474 S475 H476 F477 H478 N693R437-P439 WeakPolarHBondContact O-CD 3.3Å; R437-N474 WeakPolarHBondContact CD-O 3.32Å; R437-S475 WeakPolarHBondContact CD-O 3.47Å; R437-H476 PolarHBondContact N-O 3.13Å; R437-F477 PolarHBondContact NH1-O 3.33Å; R437-H478 HydrophobicContact CG-CB 3.86Å; R437-N693 PolarHBondContact NH2-O 2.97Å
438V59Low64.3Low99 Ų9967.1 Ų67.160%0.635%0.354SS*.PPolyproline II helixtrans-74.3120170.8-179.20000107.3R436 F440 S442R436-V438 PolarHBondContact O-N 3.11Å; V438-F440 PolarHBondContact O-N 2.91Å; V438-S442 WeakPolarHBondContact CG1-OG 3.48Å
439P50.7Low61.3Low37 Ų3770.8 Ų70.824%0.2437%0.373CS..PPolyproline II helixtrans-55.5134.2173.2-22.132.4000108.8R437 F441 S442R437-P439 WeakPolarHBondContact O-CD 3.3Å; P439-F441 PolarHBondContact O-N 3Å; P439-S442 PolarHBondContact O-N 3.26Å; P439-S442 VanDerWaalsContact O-N 3.08Å; P439-S442 PolarHBondContact O-OG 3.24Å
440F47.9Very low58.4Low115 Ų11577.7 Ų77.750%0.50441%0.409SS..G310 helixtrans-48.1-25.7-169.1-178-89.6000114.5V438 R690V438-F440 PolarHBondContact O-N 2.91Å; F440-R690 VanDerWaalsContact CE2-NH1 3.31Å
441F46.1Very low55.8Low66 Ų6678.7 Ų78.729%0.28941%0.414SS..G310 helixtrans-93.19-173.3-62.2-71.2000115.9P439 L462 L465P439-F441 PolarHBondContact O-N 3Å; F441-L462 HydrophobicContact CD1-CB 4.36Å; F441-L462 HydrophobicContact CD1-CD1 3.86Å; F441-L462 HydrophobicContact CD1-CD2 4.48Å; F441-L462 HydrophobicContact CD1-CG 4.49Å; F441-L462 HydrophobicContact CE1-CB 4.45Å; F441-L462 HydrophobicContact CE1-CD1 3.78Å; F441-L462 HydrophobicContact CE1-CD2 3.77Å; F441-L462 HydrophobicContact CE1-CG 4.24Å; F441-L462 HydrophobicContact CZ-CD2 4.1Å; F441-L465 HydrophobicContact CD2-CB 4.18Å; F441-L465 HydrophobicContact CE1-CD1 4.36Å; F441-L465 HydrophobicContact CE2-CB 3.61Å; F441-L465 HydrophobicContact CE2-CD1 3.56Å; F441-L465 HydrophobicContact CE2-CG 4.21Å; F441-L465 HydrophobicContact CZ-CB 4.28Å; F441-L465 HydrophobicContact CZ-CD1 3.35Å; F441-L465 HydrophobicContact CZ-CG 4.44Å
442S38.4Very low53.1Low50 Ų5082.3 Ų82.335%0.3545%0.446SS..G310 helixtrans-98.114.1178.946.20000114.9V438 P439 N444V438-S442 WeakPolarHBondContact CG1-OG 3.48Å; P439-S442 PolarHBondContact O-N 3.26Å; P439-S442 VanDerWaalsContact O-N 3.08Å; P439-S442 PolarHBondContact O-OG 3.24Å; S442-N444 PolarHBondContact O-N 2.94Å
443T35.6Very low50.5Low86 Ų8688.2 Ų88.253%0.52848%0.482SS..  trans-77.3113.3171.655.60000111.1Q445T443-Q445 PolarHBondContact O-N 3.5Å
444N33.5Very low47.7Very low126 Ų12691.7 Ų91.767%0.67450%0.497SS*.  trans-61.739164.4-75.3-22.7000113.9S442 T446S442-N444 PolarHBondContact O-N 2.94Å; N444-T446 PolarHBondContact O-N 3.46Å
445Q35.3Very low45.4Very low151 Ų15194.3 Ų94.371%0.70651%0.511SS*.THydrogen-bonded Turntrans-73.319.8168.9-75.4-171.90.500112.8T443T443-Q445 PolarHBondContact O-N 3.5Å
446T30.7Very low43.3Very low70 Ų7094 Ų9443%0.42952%0.523SS..THydrogen-bonded Turntrans-106.94179.154.30000113.7N444 D448 N455N444-T446 PolarHBondContact O-N 3.46Å; T446-D448 PolarHBondContact O-N 3.31Å; T446-N455 WeakPolarHBondContact CG2-OD1 3.31Å
447S34.7Very low41.4Very low96 Ų9694.8 Ų94.867%0.67153%0.529SS*.THydrogen-bonded Turntrans-69.3-16.4177.158.90000113.9
448D35.2Very low40Very low139 Ų13995.8 Ų95.874%0.74354%0.539SS*.THydrogen-bonded Turntrans-108.516.4-176.5-70-11.7000114.6T446T446-D448 PolarHBondContact O-N 3.31Å
449M31.9Very low39.2Very low135 Ų13597.7 Ų97.767%0.66554%0.541SS*.  trans-13092.4178.2-77.3-73.9-167.600111.5N451M449-N451 PolarHBondContact O-N 3.45Å
450N34.3Very low38.8Very low165 Ų165103.2 Ų103.288%0.88256%0.561SS**  trans-65.129.2177.4-77-23000115.6
451N37.7Very low38.5Very low100 Ų10099.2 Ų99.254%0.53554%0.544SS..  trans-104.785.7175.3-80.3-16.4000110.9M449 T453 H454M449-N451 PolarHBondContact O-N 3.45Å; N451-T453 PolarHBondContact O-N 3Å; N451-T453 VanDerWaalsContact O-N 3.09Å; N451-H454 HydrophobicContact CB-CB 4.25Å; N451-H454 PolarHBondContact O-N 3.36Å
452A38.3Very low38.4Very low87 Ų8797.4 Ų97.472%0.71954%0.537SS*.Hα-helixtrans-54.5-26.3-179.900000114.4
453T41.5Very low38.6Very low125 Ų12599.7 Ų99.777%0.76755%0.546SS*.Hα-helixtrans-79.1-25.1178.445.20000113.8N451N451-T453 PolarHBondContact O-N 3Å; N451-T453 VanDerWaalsContact O-N 3.09Å
454H37.4Very low39.2Very low103 Ų10398 Ų9848%0.47753%0.53SS..Hα-helixtrans-84.5-29-178.4-148.4-45.4000112.2N451 V458N451-H454 HydrophobicContact CB-CB 4.25Å; N451-H454 PolarHBondContact O-N 3.36Å; H454-V458 WeakPolarHBondContact O-CB 3.1Å; H454-V458 WeakPolarHBondContact O-CG2 3.18Å; H454-V458 PolarHBondContact O-N 3.14Å
455N43.4Very low39.7Very low55 Ų5592.5 Ų92.529%0.29450%0.5SS..Hα-helixtrans-72.2-41.2178.5-85.3-23.2000113T446 Q459T446-N455 WeakPolarHBondContact CG2-OD1 3.31Å; N455-Q459 WeakPolarHBondContact O-CB 3.44Å; N455-Q459 PolarHBondContact O-N 2.74Å
456A42.9Very low40.3Very low61 Ų6187.9 Ų87.950%0.50448%0.48SS..Hα-helixtrans-65.6-41.3178.400000112.2F460A456-F460 VanDerWaalsContact O-CB 3.23Å; A456-F460 WeakPolarHBondContact O-CB 3.38Å; A456-F460 PolarHBondContact O-N 3.25Å
457F40.4Very low41.4Very low90 Ų9087.5 Ų87.540%0.39548%0.476SS..Hα-helixtrans-66.3-42.4179.6-175.3-88.5000112.4V22 H461V22-F457 HydrophobicContact CB-CE1 4.12Å; V22-F457 HydrophobicContact CB-CZ 4.18Å; V22-F457 HydrophobicContact CG1-CE1 3.42Å; V22-F457 VanDerWaalsContact CG1-CE1 3.42Å; V22-F457 HydrophobicContact CG1-CZ 3.63Å; V22-F457 HydrophobicContact CG2-CZ 4.27Å; F457-H461 AromaticContact CD1-ND1 3.93Å; F457-H461 AromaticContact CD2-CE1 3.66Å; F457-H461 AromaticContact CD2-ND1 3.81Å; F457-H461 AromaticContact CE1-CE1 3.94Å; F457-H461 AromaticContact CE1-ND1 3.71Å; F457-H461 AromaticContact CE2-CE1 3.14Å; F457-H461 WeakPolarHBondContact CE2-CE1 3.48Å; F457-H461 AromaticContact CE2-ND1 3.62Å; F457-H461 AromaticContact CE2-NE2 3.83Å; F457-H461 AromaticContact CG-ND1 3.97Å; F457-H461 AromaticContact CZ-CE1 3.28Å; F457-H461 WeakPolarHBondContact CZ-CE1 3.15Å; F457-H461 AromaticContact CZ-ND1 3.54Å; F457-H461 AromaticContact CZ-NE2 3.62Å; F457-H461 WeakPolarHBondContact O-CB 3.33Å; F457-H461 PolarHBondContact O-N 3.11Å; F457-H461 PolarHBondContact O-ND1 2.82Å
458V44.6Very low42.2Very low56 Ų5684.6 Ų84.634%0.33945%0.451SS..Hα-helixtrans-70.1-43.8179.6171.40000111.1H454 H461 L462H454-V458 WeakPolarHBondContact O-CB 3.1Å; H454-V458 WeakPolarHBondContact O-CG2 3.18Å; H454-V458 PolarHBondContact O-N 3.14Å; V458-H461 PolarHBondContact O-N 3.34Å; V458-L462 HydrophobicContact CG1-CD1 3.43Å; V458-L462 VanDerWaalsContact CG1-CD1 3.43Å; V458-L462 HydrophobicContact CG1-CG 4.33Å; V458-L462 VanDerWaalsContact O-CB 3.24Å; V458-L462 WeakPolarHBondContact O-CB 3.43Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.25Å; V458-L462 PolarHBondContact O-N 3.06Å
459Q42.9Very low43Very low138 Ų13882 Ų8265%0.64543%0.433SS*.Hα-helixtrans-60.6-44.2172.7-86-176.4-19.600112N455 H461 N463N455-Q459 WeakPolarHBondContact O-CB 3.44Å; N455-Q459 PolarHBondContact O-N 2.74Å; Q459-H461 PolarHBondContact O-N 3.39Å; Q459-N463 WeakPolarHBondContact O-CB 3.24Å; Q459-N463 PolarHBondContact O-N 2.95Å
460F42Very low44Very low153 Ų15375.9 Ų75.967%0.67140%0.403SS*.Hα-helixtrans-67.4-37.8-178.3-159.9-89.2000112.7A456A456-F460 VanDerWaalsContact O-CB 3.23Å; A456-F460 WeakPolarHBondContact O-CB 3.38Å; A456-F460 PolarHBondContact O-N 3.25Å
461H40.8Very low44.8Very low32 Ų3269.4 Ų69.415%0.14837%0.368CS..Hα-helixtrans-82.8-26.6180-7574000113.7F457 V458 Q459F457-H461 AromaticContact CD1-ND1 3.93Å; F457-H461 AromaticContact CD2-CE1 3.66Å; F457-H461 AromaticContact CD2-ND1 3.81Å; F457-H461 AromaticContact CE1-CE1 3.94Å; F457-H461 AromaticContact CE1-ND1 3.71Å; F457-H461 AromaticContact CE2-CE1 3.14Å; F457-H461 WeakPolarHBondContact CE2-CE1 3.48Å; F457-H461 AromaticContact CE2-ND1 3.62Å; F457-H461 AromaticContact CE2-NE2 3.83Å; F457-H461 AromaticContact CG-ND1 3.97Å; F457-H461 AromaticContact CZ-CE1 3.28Å; F457-H461 WeakPolarHBondContact CZ-CE1 3.15Å; F457-H461 AromaticContact CZ-ND1 3.54Å; F457-H461 AromaticContact CZ-NE2 3.62Å; F457-H461 WeakPolarHBondContact O-CB 3.33Å; F457-H461 PolarHBondContact O-N 3.11Å; F457-H461 PolarHBondContact O-ND1 2.82Å; V458-H461 PolarHBondContact O-N 3.34Å; Q459-H461 PolarHBondContact O-N 3.39Å
462L45.4Very low45.6Very low27 Ų2767 Ų6714%0.14135%0.354CS..Hα-helixtrans-89.5-15.8177.2-67172.1000113.6I23 F441 V458 W464 L465I23-L462 HydrophobicContact CD1-CD2 3.36Å; I23-L462 HydrophobicContact CD1-CG 4.25Å; I23-L462 HydrophobicContact CG1-CD2 3.81Å; I23-L462 HydrophobicContact CG2-CD2 4.28Å; F441-L462 HydrophobicContact CD1-CB 4.36Å; F441-L462 HydrophobicContact CD1-CD1 3.86Å; F441-L462 HydrophobicContact CD1-CD2 4.48Å; F441-L462 HydrophobicContact CD1-CG 4.49Å; F441-L462 HydrophobicContact CE1-CB 4.45Å; F441-L462 HydrophobicContact CE1-CD1 3.78Å; F441-L462 HydrophobicContact CE1-CD2 3.77Å; F441-L462 HydrophobicContact CE1-CG 4.24Å; F441-L462 HydrophobicContact CZ-CD2 4.1Å; V458-L462 HydrophobicContact CG1-CD1 3.43Å; V458-L462 VanDerWaalsContact CG1-CD1 3.43Å; V458-L462 HydrophobicContact CG1-CG 4.33Å; V458-L462 VanDerWaalsContact O-CB 3.24Å; V458-L462 WeakPolarHBondContact O-CB 3.43Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.25Å; V458-L462 PolarHBondContact O-N 3.06Å; L462-W464 PolarHBondContact O-N 3.04Å; L462-L465 HydrophobicContact CD2-CD1 3.87Å; L462-L465 WeakPolarHBondContact O-CB 3.29Å; L462-L465 PolarHBondContact O-N 2.9Å
463N43.2Very low46.6Very low99 Ų9963.3 Ų63.353%0.52932%0.323SS..G310 helixtrans-55.4-25174.8-104.2-2.1000113.5Q459 L465 N466Q459-N463 WeakPolarHBondContact O-CB 3.24Å; Q459-N463 PolarHBondContact O-N 2.95Å; N463-L465 VanDerWaalsContact C-N 3.31Å; N463-L465 PolarHBondContact O-N 3.08Å; N463-N466 VanDerWaalsContact O-CB 3.31Å; N463-N466 WeakPolarHBondContact O-CB 3.14Å; N463-N466 PolarHBondContact O-N 2.92Å; N463-N466 VanDerWaalsContact O-N 3.1Å; N463-N466 PolarHBondContact OD1-ND2 2.84Å
464W47.5Very low47.8Very low50 Ų5058.6 Ų58.619%0.18929%0.293CS..G310 helixtrans-65.9-31.4173.6134.768.1000112.6L14 L17 L20 I23 L462 N466 D467L14-W464 HydrophobicContact CD1-CZ2 4.32Å; L17-W464 VanDerWaalsContact CD1-NE1 3.35Å; L20-W464 HydrophobicContact CD1-CH2 3.35Å; L20-W464 HydrophobicContact CD1-CZ2 3.38Å; L20-W464 HydrophobicContact CD1-CZ3 3.96Å; L20-W464 HydrophobicContact CD2-CH2 3.59Å; L20-W464 HydrophobicContact CD2-CZ2 4.31Å; L20-W464 HydrophobicContact CD2-CZ3 4.25Å; L20-W464 HydrophobicContact CG-CH2 3.35Å; L20-W464 HydrophobicContact CG-CZ2 3.96Å; L20-W464 HydrophobicContact CG-CZ3 3.69Å; I23-W464 HydrophobicContact CD1-CZ3 3.84Å; L462-W464 PolarHBondContact O-N 3.04Å; W464-N466 PolarHBondContact O-N 2.86Å; W464-D467 WeakPolarHBondContact O-CB 3.25Å; W464-D467 PolarHBondContact O-N 2.81Å
465L44.6Very low49.9Very low10 Ų1053.9 Ų53.95%0.05227%0.271CS..G310 helixtrans-73-12.7173.5-69.1171.1000112.7F441 L462 N463 D467 L470 L685F441-L465 HydrophobicContact CD2-CB 4.18Å; F441-L465 HydrophobicContact CE1-CD1 4.36Å; F441-L465 HydrophobicContact CE2-CB 3.61Å; F441-L465 HydrophobicContact CE2-CD1 3.56Å; F441-L465 HydrophobicContact CE2-CG 4.21Å; F441-L465 HydrophobicContact CZ-CB 4.28Å; F441-L465 HydrophobicContact CZ-CD1 3.35Å; F441-L465 HydrophobicContact CZ-CG 4.44Å; L462-L465 HydrophobicContact CD2-CD1 3.87Å; L462-L465 WeakPolarHBondContact O-CB 3.29Å; L462-L465 PolarHBondContact O-N 2.9Å; N463-L465 VanDerWaalsContact C-N 3.31Å; N463-L465 PolarHBondContact O-N 3.08Å; L465-D467 PolarHBondContact O-N 3.1Å; L465-L470 HydrophobicContact CD2-CD1 4.02Å; L465-L685 HydrophobicContact CD2-CB 4.38Å
466N47.2Very low51.6Low54 Ų5452.9 Ų52.929%0.28927%0.265SS..G310 helixtrans-80.312.9169.2-67.6-27.1000112.8N463 W464 K468N463-N466 VanDerWaalsContact O-CB 3.31Å; N463-N466 WeakPolarHBondContact O-CB 3.14Å; N463-N466 PolarHBondContact O-N 2.92Å; N463-N466 VanDerWaalsContact O-N 3.1Å; N463-N466 PolarHBondContact OD1-ND2 2.84Å; W464-N466 PolarHBondContact O-N 2.86Å; N466-K468 PolarHBondContact O-N 2.75Å; N466-K468 VanDerWaalsContact O-N 3.14Å
467D54.7Low53.7Low62 Ų6250.1 Ų50.133%0.33224%0.241SC..  trans-53.6122.3166.8-171.4-17.6000108.8W464 L465 K469 L470 Q471W464-D467 WeakPolarHBondContact O-CB 3.25Å; W464-D467 PolarHBondContact O-N 2.81Å; L465-D467 PolarHBondContact O-N 3.1Å; D467-K469 PolarHBondContact O-N 2.77Å; D467-K469 VanDerWaalsContact O-N 3.11Å; D467-K469 WeakPolarHBondContact OD1-CB 3.29Å; D467-K469 PolarHBondContact OD1-N 3.11Å; D467-L470 HydrophobicContact CB-CB 4.18Å; D467-L470 HydrophobicContact CB-CD1 3.94Å; D467-L470 HydrophobicContact CB-CG 4.21Å; D467-L470 WeakPolarHBondContact O-CA 3.43Å; D467-L470 WeakPolarHBondContact O-CB 3.27Å; D467-L470 PolarHBondContact O-N 2.66Å; D467-Q471 PolarHBondContact O-N 3.45Å
468K50.2Low55.9Low35 Ų3545.9 Ų45.915%0.15222%0.223CC..Hα-helixtrans-51-36.1175.5-65.5-178.8-179.9-160.50110.8Y379 L380 S383 N466 L470 Q471 I472Y379-K468 WeakPolarHBondContact O-CE 3.31Å; Y379-K468 PolarHBondContact O-NZ 3.33Å; L380-K468 VanDerWaalsContact C-NZ 3.34Å; L380-K468 HydrophobicContact CD2-CG 4.27Å; L380-K468 WeakPolarHBondContact O-CD 3.41Å; L380-K468 WeakPolarHBondContact O-CE 3.28Å; L380-K468 PolarHBondContact O-NZ 3.26Å; S383-K468 WeakPolarHBondContact OG-CE 3.31Å; S383-K468 PolarHBondContact OG-NZ 3Å; N466-K468 PolarHBondContact O-N 2.75Å; N466-K468 VanDerWaalsContact O-N 3.14Å; K468-L470 VanDerWaalsContact C-N 3.31Å; K468-L470 PolarHBondContact O-N 3.48Å; K468-Q471 PolarHBondContact O-N 2.99Å; K468-I472 VanDerWaalsContact O-CD1 3.32Å; K468-I472 WeakPolarHBondContact O-CD1 3.2Å; K468-I472 WeakPolarHBondContact O-CG1 3.16Å; K468-I472 PolarHBondContact O-N 2.92Å
469K51.5Low58.3Low85 Ų8543.2 Ų43.237%0.3721%0.207SC..Hα-helixtrans-63.6-33.1175-65-171.4176.6-169.50113D467 T473D467-K469 PolarHBondContact O-N 2.77Å; D467-K469 VanDerWaalsContact O-N 3.11Å; D467-K469 WeakPolarHBondContact OD1-CB 3.29Å; D467-K469 PolarHBondContact OD1-N 3.11Å; K469-T473 VanDerWaalsContact O-CG2 3.27Å; K469-T473 WeakPolarHBondContact O-CG2 3.3Å
470L52.9Low60.7Low6 Ų636.6 Ų36.63%0.03118%0.176CC..Hα-helixtrans-75.8-37174-80.9163.1000111.4L465 D467 K468 T473L465-L470 HydrophobicContact CD2-CD1 4.02Å; D467-L470 HydrophobicContact CB-CB 4.18Å; D467-L470 HydrophobicContact CB-CD1 3.94Å; D467-L470 HydrophobicContact CB-CG 4.21Å; D467-L470 WeakPolarHBondContact O-CA 3.43Å; D467-L470 WeakPolarHBondContact O-CB 3.27Å; D467-L470 PolarHBondContact O-N 2.66Å; K468-L470 VanDerWaalsContact C-N 3.31Å; K468-L470 PolarHBondContact O-N 3.48Å; L470-T473 WeakPolarHBondContact O-CB 3.37Å; L470-T473 PolarHBondContact O-N 3.05Å; L470-T473 PolarHBondContact O-OG1 3.21Å
471Q51.8Low63.3Low30 Ų3029.6 Ų29.614%0.1415%0.145CC..Hα-helixtrans-68.1-41.1177.1-65.1-175.68.600112.3D467 K468 T473 N474D467-Q471 PolarHBondContact O-N 3.45Å; K468-Q471 PolarHBondContact O-N 2.99Å; Q471-T473 PolarHBondContact O-N 3.27Å; Q471-T473 VanDerWaalsContact O-N 3.14Å; Q471-N474 PolarHBondContact O-N 2.79Å
472I54.5Low65.8Low50 Ų5028.8 Ų28.826%0.25614%0.143SC..Hα-helixtrans-55.9-31.3174.3-67.8158.4000111.3L385 K468 N474 S475L385-I472 HydrophobicContact CD1-CD1 4.31Å; L385-I472 HydrophobicContact CG-CD1 4.39Å; K468-I472 VanDerWaalsContact O-CD1 3.32Å; K468-I472 WeakPolarHBondContact O-CD1 3.2Å; K468-I472 WeakPolarHBondContact O-CG1 3.16Å; K468-I472 PolarHBondContact O-N 2.92Å; I472-N474 PolarHBondContact O-N 3.44Å; I472-N474 VanDerWaalsContact O-N 3.14Å; I472-S475 PolarHBondContact O-N 2.83Å
473T59.8Low68Low9 Ų929 Ų296%0.05514%0.144CC..THydrogen-bonded Turntrans-60.4-27.5178.670.80000113.8K469 L470 Q471 H623 S686 R696K469-T473 VanDerWaalsContact O-CG2 3.27Å; K469-T473 WeakPolarHBondContact O-CG2 3.3Å; L470-T473 WeakPolarHBondContact O-CB 3.37Å; L470-T473 PolarHBondContact O-N 3.05Å; L470-T473 PolarHBondContact O-OG1 3.21Å; Q471-T473 PolarHBondContact O-N 3.27Å; Q471-T473 VanDerWaalsContact O-N 3.14Å; T473-H623 WeakPolarHBondContact CG2-CE1 3.34Å; T473-H623 VanDerWaalsContact CG2-ND1 3.32Å; T473-H623 WeakPolarHBondContact CG2-ND1 3.32Å; T473-H623 VanDerWaalsContact CG2-NE2 3.28Å; T473-H623 WeakPolarHBondContact CG2-NE2 3.13Å; T473-S686 VanDerWaalsContact OG1-CB 3.3Å; T473-S686 WeakPolarHBondContact OG1-CB 3.24Å; T473-S686 PolarHBondContact OG1-OG 3.43Å; T473-R696 PolarHBondContact O-NH1 3.35Å; T473-R696 PolarHBondContact O-NH2 3.43Å
474N66.8Low70.2Confident25 Ų2524.2 Ų24.213%0.13412%0.118CC..THydrogen-bonded Turntrans-100.210.6-171.8-161.211000112.8R437 Q471 I472 A688 V695R437-N474 WeakPolarHBondContact CD-O 3.32Å; Q471-N474 PolarHBondContact O-N 2.79Å; I472-N474 PolarHBondContact O-N 3.44Å; I472-N474 VanDerWaalsContact O-N 3.14Å; N474-A688 HydrophobicContact CB-CB 4.09Å; N474-A688 WeakPolarHBondContact OD1-CA 3.02Å; N474-V695 WeakPolarHBondContact O-CG2 3.1Å; N474-V695 PolarHBondContact OD1-N 3.21Å
475S80.2Confident72Confident4 Ų422 Ų223%0.02811%0.11CC..  trans56.3137.5-168.4164.40000112.1E402 R437 I472 F477E402-S475 WeakPolarHBondContact OE1-CB 3.33Å; E402-S475 PolarHBondContact OE1-OG 3.1Å; R437-S475 WeakPolarHBondContact CD-O 3.47Å; I472-S475 PolarHBondContact O-N 2.83Å; S475-F477 PolarHBondContact O-N 3.11Å; S475-F477 PolarHBondContact OG-N 3.44Å; S475-F477 PolarHBondContact OG-O 3.06Å
476H79.4Confident74.1Confident34 Ų3422.3 Ų22.316%0.15711%0.114CC..SBendtrans-73.1-19.5174.7-57.889000111.5F381 E402 R436 R437F381-H476 AromaticContact CE1-CD2 3.92Å; E402-H476 VanDerWaalsContact CD-N 3.28Å; E402-H476 PolarHBondContact OE1-N 2.94Å; E402-H476 IonicContact OE2-CE1 3.62Å; E402-H476 IonicContact OE2-CG 3.8Å; E402-H476 PolarHBondContact OE2-N 3.49Å; E402-H476 IonicContact OE2-ND1 3.64Å; E402-H476 PolarHBondContact OE2-ND1 3.49Å; R436-H476 CarbonylContact C-O 3.35Å; R436-H476 WeakPolarHBondContact CA-O 3.44Å; R437-H476 PolarHBondContact N-O 3.13Å
477F87Confident76.1Confident3 Ų319.8 Ų19.81%0.01310%0.1CC..EExtended strand (participates in β ladder)trans-107.5141.2-177.1-59.9-56.6000113.1F323 C325 F327 E402 I406 Q409 I434 R436 R437 S475F323-F477 HydrophobicContact CD1-CE1 4.49Å; F323-F477 HydrophobicContact CE1-CD1 4.21Å; F323-F477 AromaticContact CE1-CE1 3.7Å; F323-F477 HydrophobicContact CE1-CE1 3.7Å; C325-F477 HydrophobicContact CB-CZ 4.04Å; C325-F477 WeakPolarHBondContact SG-CZ 3.27Å; F327-F477 AromaticContact CE2-CE2 3.83Å; F327-F477 HydrophobicContact CE2-CE2 3.83Å; F327-F477 AromaticContact CE2-CZ 3.66Å; F327-F477 HydrophobicContact CE2-CZ 3.66Å; F327-F477 AromaticContact CZ-CE2 3.75Å; F327-F477 HydrophobicContact CZ-CE2 3.75Å; F327-F477 AromaticContact CZ-CZ 3.74Å; F327-F477 HydrophobicContact CZ-CZ 3.74Å; E402-F477 HydrophobicContact CG-CD2 3.5Å; E402-F477 VanDerWaalsContact CG-CD2 3.5Å; E402-F477 HydrophobicContact CG-CE2 3.74Å; E402-F477 WeakPolarHBondContact OE1-CD2 3.33Å; E402-F477 PolarHBondContact OE1-N 2.98Å; I406-F477 HydrophobicContact CD1-CD2 3.98Å; I406-F477 HydrophobicContact CG1-CB 4.38Å; Q409-F477 PolarHBondContact NE2-O 3.4Å; Q409-F477 VanDerWaalsContact NE2-O 3.07Å; I434-F477 HydrophobicContact CD1-CB 3.79Å; I434-F477 HydrophobicContact CD1-CD1 3.55Å; I434-F477 HydrophobicContact CD1-CD2 4.12Å; I434-F477 HydrophobicContact CD1-CE1 4.15Å; I434-F477 HydrophobicContact CD1-CG 3.54Å; I434-F477 HydrophobicContact CG1-CB 3.91Å; I434-F477 HydrophobicContact CG1-CD1 3.83Å; I434-F477 HydrophobicContact CG1-CG 4.03Å; R436-F477 HydrophobicContact CG-CE1 4.39Å; R437-F477 PolarHBondContact NH1-O 3.33Å; S475-F477 PolarHBondContact O-N 3.11Å; S475-F477 PolarHBondContact OG-N 3.44Å; S475-F477 PolarHBondContact OG-O 3.06Å
478H87.7Confident77.8Confident1 Ų117.6 Ų17.61%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-111.2112.1164.9176.5-105.2000108P233 F311 R435 R437P233-H478 PolarHBondContact O-CE1 2.93Å; P233-H478 PolarHBondContact O-NE2 3.17Å; F311-H478 AromaticContact CE1-ND1 3.56Å; F311-H478 AromaticContact CZ-CE1 3.96Å; F311-H478 AromaticContact CZ-ND1 3.87Å; R435-H478 HydrophobicContact CG-CB 3.87Å; R435-H478 PolarHBondContact N-O 3.49Å; R435-H478 VanDerWaalsContact N-O 3.1Å; R435-H478 PolarHBondContact NE-ND1 3.07Å; R435-H478 PolarHBondContact O-N 3.06Å; R437-H478 HydrophobicContact CG-CB 3.86Å
479V94.2Very high79.6Confident0 Ų020.8 Ų20.80%010%0.099CC..EExtended strand (participates in β ladder)trans-102.4142.9177.1-620000110.9N234 I406 Q409 L410 I432 L433 I434N234-V479 WeakPolarHBondContact CA-O 3.47Å; N234-V479 PolarHBondContact ND2-O 3.02Å; I406-V479 HydrophobicContact CG1-CG1 4.18Å; I406-V479 HydrophobicContact CG2-CG1 4.09Å; I406-V479 HydrophobicContact CG2-CG2 4.32Å; Q409-V479 HydrophobicContact CB-CG2 3.4Å; Q409-V479 VanDerWaalsContact CB-CG2 3.4Å; Q409-V479 HydrophobicContact CG-CG2 4.32Å; L410-V479 HydrophobicContact CD2-CB 4.47Å; L410-V479 HydrophobicContact CD2-CG2 3.99Å; L410-V479 HydrophobicContact CG-CG2 4.31Å; I432-V479 HydrophobicContact CG2-CB 4.04Å; I432-V479 HydrophobicContact CG2-CG1 4.43Å; L433-V479 CarbonylContact O-C 3.57Å; L433-V479 WeakPolarHBondContact O-CA 3.49Å; I434-V479 HydrophobicContact CB-CG1 4.3Å; I434-V479 HydrophobicContact CD1-CG1 4.23Å; I434-V479 HydrophobicContact CG1-CG1 3.99Å
480A93.9Very high81.3Confident0 Ų017.3 Ų17.30%09%0.085CC..EExtended strand (participates in β ladder)trans-146.8140.8176.900000112.6N234 V236 F311 L433N234-A480 CarbonylContact O-C 3.47Å; N234-A480 VanDerWaalsContact O-CA 3.28Å; N234-A480 WeakPolarHBondContact O-CA 3.02Å; V236-A480 HydrophobicContact CG2-CB 3.74Å; F311-A480 HydrophobicContact CE1-CB 3.77Å; F311-A480 HydrophobicContact CZ-CB 3.56Å; L433-A480 PolarHBondContact N-O 2.73Å; L433-A480 PolarHBondContact O-N 3.25Å
481L95.7Very high82.2Confident5 Ų518.6 Ų18.63%0.02610%0.1CC..EExtended strand (participates in β ladder)trans-74.9134.5177.2-169.167.8000111.3N234 V236 A413 L417 H424 I427 I432N234-L481 PolarHBondContact O-N 3.45Å; V236-L481 WeakPolarHBondContact CG2-O 3.18Å; V236-L481 PolarHBondContact N-O 3.35Å; A413-L481 HydrophobicContact CB-CB 4.41Å; L417-L481 HydrophobicContact CD1-CD2 3.75Å; H424-L481 HydrophobicContact CB-CD2 4.19Å; H424-L481 VanDerWaalsContact CD2-CD2 3.43Å; H424-L481 WeakPolarHBondContact CD2-CD2 3.38Å; I427-L481 HydrophobicContact CG1-CD1 4.27Å; I432-L481 HydrophobicContact CG1-CD1 4.31Å
482T93.4Very high82.3Confident15 Ų1523 Ų239%0.09212%0.121CC..  trans-129.9174.2176.7-160.90000111.6H424 N431 L433H424-T482 PolarHBondContact CE1-O 3.09Å; H424-T482 PolarHBondContact NE2-O 3.31Å; N431-T482 WeakPolarHBondContact O-CG2 3.24Å; N431-T482 PolarHBondContact O-N 3.1Å; L433-T482 HydrophobicContact CD1-CG2 4.07Å; L433-T482 HydrophobicContact CD2-CG2 3.88Å; L433-T482 HydrophobicContact CG-CG2 3.71Å
483D91.1Very high82.1Confident31 Ų3126.5 Ų26.517%0.16614%0.136CC..  trans65.975.4176.6-158-1.5000116K182 H424 G485K182-D483 VanDerWaalsContact NZ-CG 3.26Å; K182-D483 IonicContact NZ-OD1 3.88Å; K182-D483 PolarHBondContact NZ-OD1 3.23Å; K182-D483 IonicContact NZ-OD2 2.78Å; H424-D483 PolarHBondContact CE1-O 3.31Å; H424-D483 PolarHBondContact NE2-O 2.75Å; D483-G485 PolarHBondContact O-N 2.72Å; D483-G485 PolarHBondContact OD1-N 2.89Å
484F91Very high81.1Confident0 Ų032.9 Ų32.90%016%0.164CC..G310 helixtrans-84.113.9-179.6-79.2-113.1000112.2R222 E223 L226 R227 I235 L417 C486 A487R222-F484 WeakPolarHBondContact CB-O 3.46Å; E223-F484 PolarHBondContact OE2-N 3.31Å; E223-F484 VanDerWaalsContact OE2-N 3.15Å; L226-F484 VanDerWaalsContact O-CD1 3.28Å; L226-F484 WeakPolarHBondContact O-CD1 3.45Å; L226-F484 VanDerWaalsContact O-CE1 3.31Å; L226-F484 WeakPolarHBondContact O-CE1 3.13Å; R227-F484 HydrophobicContact CB-CD1 4.45Å; R227-F484 HydrophobicContact CG-CE2 4.46Å; R227-F484 HydrophobicContact CG-CZ 4.38Å; R227-F484 VanDerWaalsContact CZ-CD2 3.49Å; I235-F484 HydrophobicContact CG2-CE2 3.96Å; I235-F484 HydrophobicContact CG2-CZ 3.78Å; L417-F484 HydrophobicContact CD2-CE1 3.58Å; L417-F484 HydrophobicContact CD2-CZ 3.85Å; F484-C486 PolarHBondContact O-N 2.92Å; F484-C486 VanDerWaalsContact O-N 3.14Å; F484-A487 HydrophobicContact CB-CB 4.07Å; F484-A487 HydrophobicContact CD1-CB 3.84Å; F484-A487 HydrophobicContact CG-CB 4.37Å; F484-A487 VanDerWaalsContact O-CB 3.29Å; F484-A487 WeakPolarHBondContact O-CB 3.46Å; F484-A487 PolarHBondContact O-N 3.36Å
485G85.6Confident79.8Confident2 Ų237.7 Ų37.72%0.02119%0.186CC..G310 helixtrans-58.2-28.3-178.400000114.7R222 E223 D483R222-G485 WeakPolarHBondContact CD-O 3.01Å; R222-G485 PolarHBondContact NH1-O 3.14Å; E223-G485 PolarHBondContact OE1-N 2.75Å; D483-G485 PolarHBondContact O-N 2.72Å; D483-G485 PolarHBondContact OD1-N 2.89Å
486C87.5Confident77.8Confident18 Ų1843.9 Ų43.912%0.12221%0.214CC..G310 helixtrans-97.91.6175.2-64.70000113.1H424 R425 D426 F484H424-C486 CarbonylContact O-C 3.47Å; R425-C486 HydrophobicContact CB-CB 4.45Å; R425-C486 PolarHBondContact NE-O 2.88Å; R425-C486 PolarHBondContact NH2-O 3.39Å; D426-C486 HydrophobicContact CB-CB 3.92Å; F484-C486 PolarHBondContact O-N 2.92Å; F484-C486 VanDerWaalsContact O-N 3.14Å
487A90.3Very high75.7Confident0 Ų046.4 Ų46.40%023%0.226CC..  trans-68.5152.1-174.200000113L226 I422 A423 H424 F484L226-A487 HydrophobicContact CB-CB 3.96Å; L226-A487 HydrophobicContact CD1-CB 3.91Å; L226-A487 WeakPolarHBondContact CD1-O 3.16Å; I422-A487 HydrophobicContact CG2-CB 4.37Å; A423-A487 CarbonylContact O-C 3.6Å; A423-A487 WeakPolarHBondContact O-CA 3.33Å; H424-A487 PolarHBondContact O-N 2.55Å; F484-A487 HydrophobicContact CB-CB 4.07Å; F484-A487 HydrophobicContact CD1-CB 3.84Å; F484-A487 HydrophobicContact CG-CB 4.37Å; F484-A487 VanDerWaalsContact O-CB 3.29Å; F484-A487 WeakPolarHBondContact O-CB 3.46Å; F484-A487 PolarHBondContact O-N 3.36Å
488I88.8Confident72.8Confident16 Ų1657.4 Ų57.48%0.08227%0.267CS..EExtended strand (participates in β ladder)trans-137.9164.8173.759.3165.4000111.3I422 A423 R425 Y542I422-I488 WeakPolarHBondContact CA-O 2.91Å; A423-I488 HydrophobicContact CB-CG1 4.14Å; A423-I488 PolarHBondContact N-O 3.07Å; A423-I488 PolarHBondContact O-N 3.39Å; R425-I488 HydrophobicContact CG-CG1 4.28Å; I488-Y542 HydrophobicContact CD1-CD1 4.44Å; I488-Y542 HydrophobicContact CD1-CD2 3.31Å; I488-Y542 HydrophobicContact CD1-CE2 3.78Å; I488-Y542 HydrophobicContact CD1-CG 3.67Å
489R88.8Confident70.2Confident103 Ų10360 Ų6039%0.38928%0.28SS..EExtended strand (participates in β ladder)trans-87.3133.1168.4-66.3-169.2172.9-77.4-7.1110.1E225 L226 G421 N539E225-R489 PolarHBondContact O-NH2 3.38Å; L226-R489 HydrophobicContact CD2-CG 3.48Å; L226-R489 VanDerWaalsContact CD2-CG 3.48Å; G421-R489 CarbonylContact O-C 3.53Å; G421-R489 VanDerWaalsContact O-CA 3.26Å; G421-R489 WeakPolarHBondContact O-CA 3.32Å; R489-N539 WeakPolarHBondContact O-CB 3.16Å; R489-N539 PolarHBondContact O-ND2 3.37Å; R489-N539 PolarHBondContact O-OD1 3.29Å
490T87.2Confident67.2Low11 Ų1166.6 Ų66.67%0.06732%0.315CS..  trans-100.4-22.9176.8620000113.2G421 A423 N539G421-T490 VanDerWaalsContact CA-OG1 3.31Å; G421-T490 WeakPolarHBondContact CA-OG1 3.46Å; G421-T490 PolarHBondContact O-N 3.18Å; G421-T490 PolarHBondContact O-OG1 3.04Å; A423-T490 HydrophobicContact CB-CG2 3.54Å; T490-N539 VanDerWaalsContact CA-O 3.24Å; T490-N539 WeakPolarHBondContact CA-O 3.28Å; T490-N539 VanDerWaalsContact CB-O 3.28Å; T490-N539 WeakPolarHBondContact CB-O 3.43Å; T490-N539 WeakPolarHBondContact CG2-O 3.49Å
491G71.6Confident64.1Low34 Ų3470 Ų7035%0.35135%0.351SS..SBendtrans-94.7157.4-176.600000115.7H493G491-H493 PolarHBondContact O-N 3.26Å
492H54.4Low60.8Low123 Ų12376.5 Ų76.557%0.56939%0.386SS*.  trans-7636176.6-74.95.7000114.6H494 K540H492-H494 PolarHBondContact O-N 3.39Å; H492-K540 WeakPolarHBondContact CE1-CE 3.27Å; H492-K540 PolarHBondContact CE1-NZ 3.19Å; H492-K540 VanDerWaalsContact CE1-NZ 3.32Å; H492-K540 WeakPolarHBondContact NE2-CE 3.3Å; H492-K540 PolarHBondContact NE2-NZ 2.86Å
493H49Very low57.8Low123 Ų12382.6 Ų82.657%0.56942%0.418SS*.  trans-74.575.3169.5-77.2-65.7000109.7Y40 G491 H495Y40-H493 PolarHBondContact OH-ND1 2.87Å; G491-H493 PolarHBondContact O-N 3.26Å; H493-H495 VanDerWaalsContact C-N 3.29Å; H493-H495 PolarHBondContact O-N 2.96Å
494H38.9Very low54.9Low143 Ų14388.2 Ų88.266%0.66245%0.448SS*.  trans-64.986.3170.4-74.7-71.3000110H492 H496H492-H494 PolarHBondContact O-N 3.39Å; H494-H496 VanDerWaalsContact C-N 3.32Å
495H40.3Very low52.2Low125 Ų12597.1 Ų97.158%0.57949%0.489SS*.  trans-101.834.5148.3-89-41.5000111.3Y40 H493 H497Y40-H495 AromaticContact CD1-CE1 4Å; Y40-H495 AromaticContact CD1-NE2 3.45Å; Y40-H495 WeakPolarHBondContact CD1-NE2 3.33Å; Y40-H495 AromaticContact CE1-NE2 3.28Å; Y40-H495 VanDerWaalsContact CE1-NE2 3.28Å; Y40-H495 WeakPolarHBondContact CE1-NE2 3.38Å; H493-H495 VanDerWaalsContact C-N 3.29Å; H493-H495 PolarHBondContact O-N 2.96Å; H495-H497 PolarHBondContact O-N 2.7Å
496H38.9Very low50Low135 Ų135103.5 Ų103.563%0.62552%0.519SS*.  trans-85.199.2151.7-86.7-87000107.6R85 H494 R498R85-H496 PolarHBondContact NH1-CE1 2.96Å; H494-H496 VanDerWaalsContact C-N 3.32Å; H496-R498 PolarHBondContact O-N 2.91Å
497H34.3Very low48Very low86 Ų86108.9 Ų108.940%0.39854%0.542SS..  trans-50.6110.8154.8-102.5-74000106.9I43 F47 H495 I499I43-H497 PolarHBondContact O-CE1 3.34Å; I43-H497 VanDerWaalsContact O-CE1 3.23Å; F47-H497 HydrophobicContact CD2-CB 4.38Å; F47-H497 HydrophobicContact CE2-CB 4.2Å; H495-H497 PolarHBondContact O-N 2.7Å; H497-I499 HydrophobicContact CB-CD1 3.84Å; H497-I499 HydrophobicContact CB-CG1 4.13Å; H497-I499 PolarHBondContact O-N 3.14Å
498R27.2Very low45.7Very low235 Ų235119.2 Ų119.289%0.88758%0.583SS**  trans-49.8104.4161.2-88.3179.7166.8179.3-4.6107.6H496H496-R498 PolarHBondContact O-N 2.91Å
499I31.4Very low44.2Very low55 Ų55121 Ų12128%0.28259%0.592SS.*  trans-131.2119.9167.2-53.9142.7000101.9F47 H497F47-I499 HydrophobicContact CB-CB 4.41Å; F47-I499 HydrophobicContact CB-CD1 3.58Å; F47-I499 HydrophobicContact CB-CG1 3.45Å; F47-I499 VanDerWaalsContact CB-CG1 3.45Å; F47-I499 HydrophobicContact CB-CG2 4.04Å; F47-I499 HydrophobicContact CD1-CD1 3.15Å; F47-I499 HydrophobicContact CD1-CG1 4.01Å; F47-I499 HydrophobicContact CD2-CD1 3.37Å; F47-I499 HydrophobicContact CD2-CG1 4Å; F47-I499 HydrophobicContact CE1-CD1 3.37Å; F47-I499 HydrophobicContact CE2-CD1 3.59Å; F47-I499 HydrophobicContact CG-CD1 3.08Å; F47-I499 HydrophobicContact CG-CG1 3.6Å; F47-I499 HydrophobicContact CZ-CD1 3.55Å; H497-I499 HydrophobicContact CB-CD1 3.84Å; H497-I499 HydrophobicContact CB-CG1 4.13Å; H497-I499 PolarHBondContact O-N 3.14Å
500D31.5Very low42.7Very low138 Ų138122.5 Ų122.574%0.73861%0.608SS**SBendtrans83.2108-179.9-49.3-26.8000114.4N502D500-N502 PolarHBondContact O-N 3.4Å
501G28.5Very low41.5Very low73 Ų73124 Ų12475%0.75361%0.614SS**  trans-74.148.7-176.900000114.1
502N28.2Very low41.3Very low141 Ų141124.1 Ų124.175%0.75461%0.609SS**  trans-100.5103.9163.9-87.6-6.7000108.7D500 N504D500-N502 PolarHBondContact O-N 3.4Å; N502-N504 PolarHBondContact O-N 3.09Å
503N28.6Very low42.1Very low143 Ų143119.5 Ų119.577%0.76560%0.595SS**THydrogen-bonded Turntrans-72.519-174.2-75.2-29.5000115.2
504N30.4Very low43.5Very low148 Ų148115 Ų11579%0.79158%0.575SS**THydrogen-bonded Turntrans-132.824.7-166-68.60.3000115.5N502 E506N502-N504 PolarHBondContact O-N 3.09Å; N504-E506 PolarHBondContact O-N 2.95Å
505E34.3Very low45.4Very low187 Ų187114 Ų11487%0.87457%0.574SS**  trans-89.864166.1-70.8-173.9-174.800110.1E507E505-E507 PolarHBondContact O-N 3.32Å
506E40.7Very low47.2Very low137 Ų137109.9 Ų109.964%0.6456%0.562SS**  trans-66.395.2149.6-77.5-178161.800105.6N504 Y508 I536N504-E506 PolarHBondContact O-N 2.95Å; E506-Y508 VanDerWaalsContact C-N 3.34Å; E506-Y508 PolarHBondContact O-N 3.42Å; E506-I536 WeakPolarHBondContact OE2-CD1 3.19Å
507E44.1Very low49.5Very low131 Ų131103.9 Ų103.961%0.61253%0.534SS*.  trans-56.8102.5173.7-163.6174-148.900106.4R218 E505 L509R218-E507 IonicContact CZ-OE1 3.47Å; R218-E507 VanDerWaalsContact CZ-OE1 3.3Å; R218-E507 IonicContact NE-OE1 2.86Å; R218-E507 PolarHBondContact NE-OE1 3.21Å; R218-E507 IonicContact NH2-OE1 2.79Å; R218-E507 PolarHBondContact NH2-OE1 3.18Å; E505-E507 PolarHBondContact O-N 3.32Å; E507-L509 PolarHBondContact O-N 3.49Å
508Y43.6Very low52Low217 Ų217100.3 Ų100.385%0.85152%0.518SS*.  trans-45109.4175.3-82.1-85.9000107.4E506 N510E506-Y508 VanDerWaalsContact C-N 3.34Å; E506-Y508 PolarHBondContact O-N 3.42Å; Y508-N510 PolarHBondContact O-N 3.38Å
509L55.4Low55.1Low52 Ų5289.2 Ų89.227%0.27248%0.476SS..  trans-78.283.2-169.7-135.2149.3000106.2E507 H511 N539 Y542E507-L509 PolarHBondContact O-N 3.49Å; L509-H511 PolarHBondContact O-N 3.37Å; L509-N539 WeakPolarHBondContact CD1-OD1 3.49Å; L509-Y542 HydrophobicContact CD2-CE2 4.18Å
510N57.7Low58Low136 Ų13686.6 Ų86.673%0.72746%0.463SS*.  trans-61.1105.3172.6-75.3-7.3000106.7Y508 S512Y508-N510 PolarHBondContact O-N 3.38Å; N510-S512 PolarHBondContact O-N 2.9Å
511H63Low60.9Low43 Ų4380.9 Ų80.920%0.19943%0.432CS..  trans-60131.1178.1-177.364000109L509 L515 L518 I526 Y542L509-H511 PolarHBondContact O-N 3.37Å; H511-L515 VanDerWaalsContact CD2-CD2 3.43Å; H511-L515 WeakPolarHBondContact CD2-CD2 3.3Å; H511-L518 WeakPolarHBondContact CE1-CD2 3.1Å; H511-L518 WeakPolarHBondContact NE2-CD1 3.48Å; H511-L518 WeakPolarHBondContact NE2-CD2 3.28Å; H511-I526 HydrophobicContact CB-CD1 4.01Å; H511-Y542 AromaticContact ND1-CZ 3.97Å; H511-Y542 PolarHBondContact ND1-OH 3.04Å
512S66.2Low63.9Low35 Ų3577.4 Ų77.425%0.24540%0.396CS..  trans-143.9144.4178.268.10000108.5R425 N510R425-S512 PolarHBondContact NH2-OG 3.25Å; R425-S512 VanDerWaalsContact NH2-OG 3.08Å; N510-S512 PolarHBondContact O-N 2.9Å
513G72.2Confident66.7Low26 Ų2671.4 Ų71.427%0.26836%0.364SS..SBendtrans132.9-157.2179.600000111.7L515G513-L515 PolarHBondContact O-N 3.35Å; G513-L515 VanDerWaalsContact O-N 3.12Å
514N78.1Confident69.4Low30 Ų3068.6 Ų68.616%0.1635%0.347CS..  trans-79.795.2-177.4-173.62.7000110.7R425 D426 I427 A516 L517 L518R425-N514 PolarHBondContact O-N 3.17Å; D426-N514 WeakPolarHBondContact OD1-CB 3.34Å; D426-N514 PolarHBondContact OD1-N 2.87Å; D426-N514 VanDerWaalsContact OD1-N 3.13Å; I427-N514 PolarHBondContact O-ND2 3.29Å; N514-A516 PolarHBondContact O-N 3.3Å; N514-A516 PolarHBondContact OD1-N 2.68Å; N514-L517 WeakPolarHBondContact ND2-CB 3.46Å; N514-L517 VanDerWaalsContact ND2-CD1 3.31Å; N514-L517 WeakPolarHBondContact ND2-CD1 3.41Å; N514-L517 VanDerWaalsContact ND2-CG 3.27Å; N514-L517 WeakPolarHBondContact ND2-CG 3.29Å; N514-L517 PolarHBondContact O-N 2.83Å; N514-L518 PolarHBondContact O-N 2.79Å
515L77.9Confident72Confident120 Ų12063 Ų6363%0.62832%0.316SS*.G310 helixtrans-58-34.4-179.6-62.8179.2000113.4H511 G513 L517 L518H511-L515 VanDerWaalsContact CD2-CD2 3.43Å; H511-L515 WeakPolarHBondContact CD2-CD2 3.3Å; G513-L515 PolarHBondContact O-N 3.35Å; G513-L515 VanDerWaalsContact O-N 3.12Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 PolarHBondContact O-N 2.92Å; L515-L518 HydrophobicContact CD2-CD1 3.93Å
516A79.6Confident74.2Confident39 Ų3956.1 Ų56.132%0.32229%0.285SS..G310 helixtrans-70.5-29.5-17800000112.5N514 V565N514-A516 PolarHBondContact O-N 3.3Å; N514-A516 PolarHBondContact OD1-N 2.68Å; A516-V565 HydrophobicContact CB-CG2 4.34Å
517L85.8Confident76Confident9 Ų951.8 Ų51.85%0.04727%0.267CS..G310 helixtrans-108.329.9-178.4-59.1-174.4000112.8N514 L515 W548 A549 T552 L553 F564 V565N514-L517 WeakPolarHBondContact ND2-CB 3.46Å; N514-L517 VanDerWaalsContact ND2-CD1 3.31Å; N514-L517 WeakPolarHBondContact ND2-CD1 3.41Å; N514-L517 VanDerWaalsContact ND2-CG 3.27Å; N514-L517 WeakPolarHBondContact ND2-CG 3.29Å; N514-L517 PolarHBondContact O-N 2.83Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 PolarHBondContact O-N 2.92Å; L517-W548 HydrophobicContact CB-CZ3 4.35Å; L517-W548 HydrophobicContact CD2-CZ3 4.43Å; L517-A549 HydrophobicContact CB-CB 4.44Å; L517-T552 HydrophobicContact CD2-CG2 4.3Å; L517-T552 WeakPolarHBondContact CD2-OG1 3.41Å; L517-L553 HydrophobicContact CD1-CD2 4.26Å; L517-F564 HydrophobicContact CD2-CB 4.17Å; L517-V565 HydrophobicContact CD2-CG2 3.68Å; L517-V565 HydrophobicContact CG-CG2 4.21Å
518L87.9Confident77.6Confident12 Ų1246.8 Ų46.86%0.06325%0.246CC..  trans-75.4129.2170-68.8173.9000110.9H511 N514 L515 I522 V523 I526 S571H511-L518 WeakPolarHBondContact CE1-CD2 3.1Å; H511-L518 WeakPolarHBondContact NE2-CD1 3.48Å; H511-L518 WeakPolarHBondContact NE2-CD2 3.28Å; N514-L518 PolarHBondContact O-N 2.79Å; L515-L518 HydrophobicContact CD2-CD1 3.93Å; L518-I522 HydrophobicContact CD2-CG2 4.18Å; L518-V523 HydrophobicContact CB-CG2 3.23Å; L518-V523 HydrophobicContact CD1-CG2 4.05Å; L518-V523 HydrophobicContact CG-CG2 4.3Å; L518-I526 HydrophobicContact CD1-CD1 3.97Å; L518-S571 WeakPolarHBondContact O-CB 3.31Å; L518-S571 PolarHBondContact O-OG 2.87Å; L518-S571 VanDerWaalsContact O-OG 3.13Å
519A92.3Very high78.9Confident1 Ų140.2 Ų40.21%0.00823%0.225CC..  trans-61.9148175.500000111.2E521 I522 V523 W548A519-E521 VanDerWaalsContact C-N 3.26Å; A519-E521 VanDerWaalsContact CB-CD 3.46Å; A519-E521 VanDerWaalsContact CB-OE1 3.28Å; A519-E521 WeakPolarHBondContact CB-OE1 3.5Å; A519-E521 VanDerWaalsContact CB-OE2 3.23Å; A519-E521 WeakPolarHBondContact CB-OE2 3.45Å; A519-E521 PolarHBondContact O-N 3.29Å; A519-E521 VanDerWaalsContact O-N 3.16Å; A519-I522 PolarHBondContact O-N 2.75Å; A519-V523 PolarHBondContact O-N 3.3Å; A519-V523 VanDerWaalsContact O-N 3.16Å; A519-W548 HydrophobicContact CB-CB 3.86Å; A519-W548 HydrophobicContact CB-CD2 4.1Å; A519-W548 HydrophobicContact CB-CE3 4.32Å; A519-W548 HydrophobicContact CB-CG 3.89Å
520P92.9Very high79.6Confident0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-52.9-39.3-173.613.8-28.4000113.8I522 V523 Q524 S571 Y574 R600P520-I522 PolarHBondContact O-N 3.28Å; P520-V523 PolarHBondContact O-N 2.95Å; P520-Q524 VanDerWaalsContact O-CB 3.28Å; P520-Q524 WeakPolarHBondContact O-CB 3.47Å; P520-Q524 WeakPolarHBondContact O-CG 3.38Å; P520-Q524 PolarHBondContact O-N 3.19Å; P520-S571 WeakPolarHBondContact CB-O 3.44Å; P520-Y574 HydrophobicContact CB-CE1 4.27Å; P520-Y574 HydrophobicContact CG-CE1 4.06Å; P520-R600 HydrophobicContact CB-CB 4.45Å; P520-R600 HydrophobicContact CB-CG 4.48Å; P520-R600 HydrophobicContact CG-CB 4.2Å; P520-R600 HydrophobicContact CG-CG 4.31Å
521E91.5Very high80Confident19 Ų1944.6 Ų44.69%0.08924%0.242CC..Hα-helixtrans-62.7-30.6178.868.5-81.7-163.500112.8A519 I525 P602 R605A519-E521 VanDerWaalsContact C-N 3.26Å; A519-E521 VanDerWaalsContact CB-CD 3.46Å; A519-E521 VanDerWaalsContact CB-OE1 3.28Å; A519-E521 WeakPolarHBondContact CB-OE1 3.5Å; A519-E521 VanDerWaalsContact CB-OE2 3.23Å; A519-E521 WeakPolarHBondContact CB-OE2 3.45Å; A519-E521 PolarHBondContact O-N 3.29Å; A519-E521 VanDerWaalsContact O-N 3.16Å; E521-I525 VanDerWaalsContact O-CD1 3.24Å; E521-I525 WeakPolarHBondContact O-CD1 3.31Å; E521-I525 WeakPolarHBondContact O-CG1 3.49Å; E521-P602 HydrophobicContact CB-CG 4.1Å; E521-P602 HydrophobicContact CG-CB 4.34Å; E521-P602 HydrophobicContact CG-CG 4Å; E521-R605 IonicContact OE1-CZ 3.33Å; E521-R605 IonicContact OE1-NH1 3.01Å; E521-R605 PolarHBondContact OE1-NH1 3.31Å; E521-R605 IonicContact OE1-NH2 3.37Å; E521-R605 IonicContact OE2-CZ 2.68Å; E521-R605 IonicContact OE2-NH1 3.35Å; E521-R605 PolarHBondContact OE2-NH1 3.42Å; E521-R605 IonicContact OE2-NH2 2.76Å; E521-R605 PolarHBondContact OE2-NH2 3.38Å
522I91Very high79.9Confident0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-81.4-46178.3-56.2-55.3000109.9L518 A519 P520 Q524 I525 I526 D541 Y542L518-I522 HydrophobicContact CD2-CG2 4.18Å; A519-I522 PolarHBondContact O-N 2.75Å; P520-I522 PolarHBondContact O-N 3.28Å; I522-Q524 PolarHBondContact O-N 3.35Å; I522-I525 PolarHBondContact O-N 3.12Å; I522-I526 HydrophobicContact CG2-CD1 3.84Å; I522-I526 HydrophobicContact CG2-CG1 4.47Å; I522-I526 WeakPolarHBondContact O-CG1 3.45Å; I522-I526 PolarHBondContact O-N 3.38Å; I522-D541 HydrophobicContact CD1-CB 3.8Å; I522-Y542 HydrophobicContact CB-CE1 4.43Å; I522-Y542 HydrophobicContact CD1-CD1 3.75Å; I522-Y542 HydrophobicContact CD1-CD2 4.09Å; I522-Y542 HydrophobicContact CD1-CE1 3.69Å; I522-Y542 HydrophobicContact CD1-CE2 4.1Å; I522-Y542 HydrophobicContact CD1-CG 3.93Å; I522-Y542 HydrophobicContact CG1-CD1 3.97Å; I522-Y542 HydrophobicContact CG1-CE1 3.76Å; I522-Y542 HydrophobicContact CG2-CE1 3.8Å; I522-Y542 WeakPolarHBondContact CG2-OH 3.35Å
523V87.5Confident79.7Confident15 Ų1549.9 Ų49.99%0.09127%0.272CS..Hα-helixtrans-66.8-39.3-177.8-168.20000111.3L518 A519 P520 I525 I526 D527 S571 V572L518-V523 HydrophobicContact CB-CG2 3.23Å; L518-V523 HydrophobicContact CD1-CG2 4.05Å; L518-V523 HydrophobicContact CG-CG2 4.3Å; A519-V523 PolarHBondContact O-N 3.3Å; A519-V523 VanDerWaalsContact O-N 3.16Å; P520-V523 PolarHBondContact O-N 2.95Å; V523-I525 VanDerWaalsContact C-N 3.3Å; V523-I525 PolarHBondContact O-N 3.01Å; V523-I526 PolarHBondContact O-N 3.42Å; V523-D527 WeakPolarHBondContact O-CB 3.17Å; V523-D527 PolarHBondContact O-N 3.47Å; V523-S571 WeakPolarHBondContact CG2-OG 3.18Å; V523-V572 HydrophobicContact CB-CG2 4.35Å; V523-V572 HydrophobicContact CG1-CG2 3.45Å; V523-V572 VanDerWaalsContact CG1-CG2 3.45Å
524Q86.2Confident79.4Confident83 Ų8356.2 Ų56.239%0.38830%0.299SS..Hα-helixtrans-58.7-41.9175.4-76170.23100112.1P520 I522 S528P520-Q524 VanDerWaalsContact O-CB 3.28Å; P520-Q524 WeakPolarHBondContact O-CB 3.47Å; P520-Q524 WeakPolarHBondContact O-CG 3.38Å; P520-Q524 PolarHBondContact O-N 3.19Å; I522-Q524 PolarHBondContact O-N 3.35Å; Q524-S528 WeakPolarHBondContact O-CB 2.95Å; Q524-S528 PolarHBondContact O-N 3.19Å; Q524-S528 PolarHBondContact O-OG 2.97Å
525I83.6Confident78.8Confident30 Ų3059 Ų5915%0.15431%0.314CS..Hα-helixtrans-67.6-45.7177-59165.3000109.9E521 I522 V523 D527 S528 L529 N535 I537 D541E521-I525 VanDerWaalsContact O-CD1 3.24Å; E521-I525 WeakPolarHBondContact O-CD1 3.31Å; E521-I525 WeakPolarHBondContact O-CG1 3.49Å; I522-I525 PolarHBondContact O-N 3.12Å; V523-I525 VanDerWaalsContact C-N 3.3Å; V523-I525 PolarHBondContact O-N 3.01Å; I525-D527 VanDerWaalsContact C-N 3.32Å; I525-D527 PolarHBondContact O-N 3.47Å; I525-S528 WeakPolarHBondContact CA-OG 3.35Å; I525-S528 PolarHBondContact O-N 3.14Å; I525-S528 PolarHBondContact O-OG 2.9Å; I525-L529 WeakPolarHBondContact O-CG 3.43Å; I525-L529 PolarHBondContact O-N 3Å; I525-N535 HydrophobicContact CG2-CB 4.11Å; I525-I537 HydrophobicContact CB-CG1 3.8Å; I525-I537 HydrophobicContact CG2-CB 4.29Å; I525-I537 HydrophobicContact CG2-CD1 4.25Å; I525-I537 HydrophobicContact CG2-CG1 3.25Å; I525-D541 HydrophobicContact CD1-CB 4.29Å
526I81.8Confident78.4Confident43 Ų4357.7 Ų57.722%0.22131%0.307CS..Hα-helixtrans-57.6-43.5176.9-67.8170.6000111.7H511 L518 I522 V523 L529 I537H511-I526 HydrophobicContact CB-CD1 4.01Å; L518-I526 HydrophobicContact CD1-CD1 3.97Å; I522-I526 HydrophobicContact CG2-CD1 3.84Å; I522-I526 HydrophobicContact CG2-CG1 4.47Å; I522-I526 WeakPolarHBondContact O-CG1 3.45Å; I522-I526 PolarHBondContact O-N 3.38Å; V523-I526 PolarHBondContact O-N 3.42Å; I526-L529 WeakPolarHBondContact O-CB 3.23Å; I526-L529 PolarHBondContact O-N 2.62Å; I526-I537 HydrophobicContact CD1-CD1 4.27Å; I526-I537 HydrophobicContact CG1-CD1 3.44Å; I526-I537 VanDerWaalsContact CG1-CD1 3.44Å
527D78.6Confident78.3Confident47 Ų4756.3 Ų56.325%0.25129%0.294SS..Hα-helixtrans-68.8-40.5178-79.3-24.5000111.2V523 I525 L529 K530 V572V523-D527 WeakPolarHBondContact O-CB 3.17Å; V523-D527 PolarHBondContact O-N 3.47Å; I525-D527 VanDerWaalsContact C-N 3.32Å; I525-D527 PolarHBondContact O-N 3.47Å; D527-L529 PolarHBondContact O-N 3.15Å; D527-K530 VanDerWaalsContact O-CB 3.29Å; D527-K530 WeakPolarHBondContact O-CB 3.39Å; D527-K530 PolarHBondContact O-N 3.23Å; D527-K530 IonicContact OD1-NZ 2.74Å; D527-K530 PolarHBondContact OD1-NZ 3Å; D527-V572 VanDerWaalsContact OD2-CG2 3.29Å; D527-V572 WeakPolarHBondContact OD2-CG2 3.48Å
528S76.9Confident78.1Confident25 Ų2558.8 Ų58.818%0.17531%0.31CS..Hα-helixtrans-65.1-25.4176.475.10000113.6Q524 I525 K530 D531 S533 N535Q524-S528 WeakPolarHBondContact O-CB 2.95Å; Q524-S528 PolarHBondContact O-N 3.19Å; Q524-S528 PolarHBondContact O-OG 2.97Å; I525-S528 WeakPolarHBondContact CA-OG 3.35Å; I525-S528 PolarHBondContact O-N 3.14Å; I525-S528 PolarHBondContact O-OG 2.9Å; S528-K530 PolarHBondContact O-N 3.08Å; S528-D531 PolarHBondContact O-N 3.17Å; S528-S533 WeakPolarHBondContact CB-OG 3.41Å; S528-S533 WeakPolarHBondContact O-CB 3.48Å; S528-S533 PolarHBondContact O-N 3.04Å; S528-S533 PolarHBondContact O-OG 2.97Å; S528-S533 PolarHBondContact OG-OG 2.92Å; S528-N535 PolarHBondContact OG-ND2 3.29Å
529L71.2Confident77.8Confident79 Ų7961.5 Ų61.541%0.41432%0.324SS..Hα-helixtrans-67.2-23.3174.4-77.5170.3000112.3I525 I526 D527 D531 N535 I537I525-L529 WeakPolarHBondContact O-CG 3.43Å; I525-L529 PolarHBondContact O-N 3Å; I526-L529 WeakPolarHBondContact O-CB 3.23Å; I526-L529 PolarHBondContact O-N 2.62Å; D527-L529 PolarHBondContact O-N 3.15Å; L529-D531 PolarHBondContact O-N 3.47Å; L529-N535 WeakPolarHBondContact CD2-O 3.36Å; L529-I537 HydrophobicContact CD1-CD1 4.24Å; L529-I537 HydrophobicContact CD1-CG1 4.34Å
530K69.1Low77.5Confident146 Ų14666.9 Ų66.964%0.63535%0.347SS*.THydrogen-bonded Turntrans-67.7-24.5174.6-62.5171-179.2159.20112.2D527 S528D527-K530 VanDerWaalsContact O-CB 3.29Å; D527-K530 WeakPolarHBondContact O-CB 3.39Å; D527-K530 PolarHBondContact O-N 3.23Å; D527-K530 IonicContact OD1-NZ 2.74Å; D527-K530 PolarHBondContact OD1-NZ 3Å; S528-K530 PolarHBondContact O-N 3.08Å
531D66.6Low77.2Confident135 Ų13569.3 Ų69.372%0.72236%0.361SS*.THydrogen-bonded Turntrans-96.419.7-176.5-65.1-22.6000113.3S528 L529 S533S528-D531 PolarHBondContact O-N 3.17Å; L529-D531 PolarHBondContact O-N 3.47Å; D531-S533 PolarHBondContact O-N 3.3Å
532N61.3Low77.2Confident151 Ų15168.5 Ų68.581%0.80736%0.357SS*.THydrogen-bonded Turntrans55.827.8-175.2-66.5-38.8000114.1
533S62.5Low77.2Confident38 Ų3873.8 Ų73.827%0.26638%0.38SS..  trans-72.6144.6173.174.50000110.9S528 D531 N535S528-S533 WeakPolarHBondContact CB-OG 3.41Å; S528-S533 WeakPolarHBondContact O-CB 3.48Å; S528-S533 PolarHBondContact O-N 3.04Å; S528-S533 PolarHBondContact O-OG 2.97Å; S528-S533 PolarHBondContact OG-OG 2.92Å; D531-S533 PolarHBondContact O-N 3.3Å; S533-N535 PolarHBondContact O-N 2.99Å
534N65.1Low77.5Confident158 Ų15873.9 Ų73.985%0.84538%0.379SS*.  trans-74.418.2177-71.6-17.5000113.2I536N534-I536 PolarHBondContact O-N 3.19Å
535N66.1Low77.9Confident89 Ų8970.3 Ų70.348%0.47636%0.363SS..  trans-77.8107.9-179.1-72.3-18000109.8I525 S528 L529 S533I525-N535 HydrophobicContact CG2-CB 4.11Å; S528-N535 PolarHBondContact OG-ND2 3.29Å; L529-N535 WeakPolarHBondContact CD2-O 3.36Å; S533-N535 PolarHBondContact O-N 2.99Å
536I69.7Low78.6Confident92 Ų9269.2 Ų69.247%0.47236%0.357SS..PPolyproline II helixtrans-95.5125.7179.2-56.8-179.8000108.6E506 N534 T538E506-I536 WeakPolarHBondContact OE2-CD1 3.19Å; N534-I536 PolarHBondContact O-N 3.19Å; I536-T538 PolarHBondContact O-N 3.18Å
537I76.4Confident79.3Confident11 Ų1167.1 Ų67.16%0.05635%0.347CS..PPolyproline II helixtrans-64.7120.9170.4-56.4171000107.8I525 I526 L529 Y542I525-I537 HydrophobicContact CB-CG1 3.8Å; I525-I537 HydrophobicContact CG2-CB 4.29Å; I525-I537 HydrophobicContact CG2-CD1 4.25Å; I525-I537 HydrophobicContact CG2-CG1 3.25Å; I526-I537 HydrophobicContact CD1-CD1 4.27Å; I526-I537 HydrophobicContact CG1-CD1 3.44Å; I526-I537 VanDerWaalsContact CG1-CD1 3.44Å; L529-I537 HydrophobicContact CD1-CD1 4.24Å; L529-I537 HydrophobicContact CD1-CG1 4.34Å; I537-Y542 HydrophobicContact CG2-CD2 4.35Å; I537-Y542 HydrophobicContact CG2-CE2 3.51Å
538T81.9Confident80.2Confident60 Ų6064.9 Ų64.937%0.36834%0.335SS..PPolyproline II helixtrans-100.9155.8174.476.90000110.5I536 K540 D541I536-T538 PolarHBondContact O-N 3.18Å; T538-K540 PolarHBondContact O-N 3.4Å; T538-K540 PolarHBondContact OG1-N 2.8Å; T538-D541 WeakPolarHBondContact CA-OD2 3.49Å; T538-D541 WeakPolarHBondContact CB-OD2 3.24Å; T538-D541 PolarHBondContact N-OD2 3.37Å; T538-D541 WeakPolarHBondContact O-CB 3.22Å; T538-D541 PolarHBondContact O-N 3.31Å; T538-D541 PolarHBondContact OG1-OD2 2.86Å
539N81.9Confident81.1Confident69 Ų6963.9 Ų63.937%0.36933%0.328SS..THydrogen-bonded Turntrans-52.6-28.1170.4-82.2-20.2000113.4R489 T490 L509 D541R489-N539 WeakPolarHBondContact O-CB 3.16Å; R489-N539 PolarHBondContact O-ND2 3.37Å; R489-N539 PolarHBondContact O-OD1 3.29Å; T490-N539 VanDerWaalsContact CA-O 3.24Å; T490-N539 WeakPolarHBondContact CA-O 3.28Å; T490-N539 VanDerWaalsContact CB-O 3.28Å; T490-N539 WeakPolarHBondContact CB-O 3.43Å; T490-N539 WeakPolarHBondContact CG2-O 3.49Å; L509-N539 WeakPolarHBondContact CD1-OD1 3.49Å; N539-D541 VanDerWaalsContact C-N 3.31Å; N539-D541 PolarHBondContact O-N 3.36Å
540K84.8Confident82.4Confident114 Ų11460.4 Ų60.450%0.49631%0.31SS..THydrogen-bonded Turntrans-70.8-28.2-179.6-66.7-176.5-175.5169.70112.9H492 T538 Y542 K543H492-K540 WeakPolarHBondContact CE1-CE 3.27Å; H492-K540 PolarHBondContact CE1-NZ 3.19Å; H492-K540 VanDerWaalsContact CE1-NZ 3.32Å; H492-K540 WeakPolarHBondContact NE2-CE 3.3Å; H492-K540 PolarHBondContact NE2-NZ 2.86Å; T538-K540 PolarHBondContact O-N 3.4Å; T538-K540 PolarHBondContact OG1-N 2.8Å; K540-Y542 PolarHBondContact O-N 2.85Å; K540-K543 VanDerWaalsContact O-CB 3.23Å; K540-K543 WeakPolarHBondContact O-CB 3.31Å; K540-K543 PolarHBondContact O-N 2.76Å
541D88.5Confident83.7Confident52 Ų5253.5 Ų53.528%0.27828%0.28SS..G310 helixtrans-66.5-25.2-176.1-56.9-46.7000111.2I522 I525 T538 N539 K543I522-D541 HydrophobicContact CD1-CB 3.8Å; I525-D541 HydrophobicContact CD1-CB 4.29Å; T538-D541 WeakPolarHBondContact CA-OD2 3.49Å; T538-D541 WeakPolarHBondContact CB-OD2 3.24Å; T538-D541 PolarHBondContact N-OD2 3.37Å; T538-D541 WeakPolarHBondContact O-CB 3.22Å; T538-D541 PolarHBondContact O-N 3.31Å; T538-D541 PolarHBondContact OG1-OD2 2.86Å; N539-D541 VanDerWaalsContact C-N 3.31Å; N539-D541 PolarHBondContact O-N 3.36Å; D541-K543 VanDerWaalsContact C-N 3.27Å; D541-K543 PolarHBondContact O-N 3.08Å
542Y91.2Very high85.2Confident1 Ų147 Ų470%0.00425%0.245CC..G310 helixtrans-79.61.5175.7-69.2-82.6000114.8R425 I488 L509 H511 I522 I537 K540 H544 S545R425-Y542 VanDerWaalsContact CD-CE1 3.41Å; R425-Y542 HydrophobicContact CG-CD1 3.75Å; R425-Y542 HydrophobicContact CG-CE1 3.92Å; R425-Y542 HydrophobicContact CG-CG 4.47Å; I488-Y542 HydrophobicContact CD1-CD1 4.44Å; I488-Y542 HydrophobicContact CD1-CD2 3.31Å; I488-Y542 HydrophobicContact CD1-CE2 3.78Å; I488-Y542 HydrophobicContact CD1-CG 3.67Å; L509-Y542 HydrophobicContact CD2-CE2 4.18Å; H511-Y542 AromaticContact ND1-CZ 3.97Å; H511-Y542 PolarHBondContact ND1-OH 3.04Å; I522-Y542 HydrophobicContact CB-CE1 4.43Å; I522-Y542 HydrophobicContact CD1-CD1 3.75Å; I522-Y542 HydrophobicContact CD1-CD2 4.09Å; I522-Y542 HydrophobicContact CD1-CE1 3.69Å; I522-Y542 HydrophobicContact CD1-CE2 4.1Å; I522-Y542 HydrophobicContact CD1-CG 3.93Å; I522-Y542 HydrophobicContact CG1-CD1 3.97Å; I522-Y542 HydrophobicContact CG1-CE1 3.76Å; I522-Y542 HydrophobicContact CG2-CE1 3.8Å; I522-Y542 WeakPolarHBondContact CG2-OH 3.35Å; I537-Y542 HydrophobicContact CG2-CD2 4.35Å; I537-Y542 HydrophobicContact CG2-CE2 3.51Å; K540-Y542 PolarHBondContact O-N 2.85Å; Y542-H544 VanDerWaalsContact C-N 3.26Å; Y542-H544 PolarHBondContact O-N 3.23Å; Y542-S545 PolarHBondContact O-N 3.27Å; Y542-S545 PolarHBondContact O-OG 2.91Å; Y542-S545 VanDerWaalsContact O-OG 3.1Å
543K91.2Very high86.9Confident112 Ų11240 Ų4049%0.48721%0.207SC..G310 helixtrans-55.2-38.8-172.6-177.3179.8176.1-112.40113.5K540 D541K540-K543 VanDerWaalsContact O-CB 3.23Å; K540-K543 WeakPolarHBondContact O-CB 3.31Å; K540-K543 PolarHBondContact O-N 2.76Å; D541-K543 VanDerWaalsContact C-N 3.27Å; D541-K543 PolarHBondContact O-N 3.08Å
544H93.7Very high88.6Confident17 Ų1738.1 Ų38.18%0.07920%0.195CC..G310 helixtrans-120.316.2-178.5-65.1-60.7000112.7E418 Y542 P602 R605E418-H544 IonicContact OE1-CE1 2.71Å; E418-H544 PolarHBondContact OE1-CE1 2.72Å; E418-H544 IonicContact OE1-CG 3.36Å; E418-H544 IonicContact OE1-ND1 3.26Å; E418-H544 PolarHBondContact OE1-ND1 3.15Å; Y542-H544 VanDerWaalsContact C-N 3.26Å; Y542-H544 PolarHBondContact O-N 3.23Å; H544-P602 HydrophobicContact CB-CB 4.25Å; H544-P602 PolarHBondContact CD2-O 2.64Å; H544-R605 PolarHBondContact O-NH1 2.9Å
545S94.5Very high90.1Very high7 Ų730.6 Ų30.65%0.04916%0.155CC..Hα-helixtrans-69.8-35.4-178.265.40000112.1Y542 I547 W548 A549Y542-S545 PolarHBondContact O-N 3.27Å; Y542-S545 PolarHBondContact O-OG 2.91Å; Y542-S545 VanDerWaalsContact O-OG 3.1Å; S545-I547 VanDerWaalsContact C-N 3.34Å; S545-W548 WeakPolarHBondContact O-CB 3.22Å; S545-W548 PolarHBondContact O-N 2.92Å; S545-A549 PolarHBondContact O-N 3.39Å; S545-A549 VanDerWaalsContact O-N 3.09Å
546D96.7Very high91.5Very high7 Ų727.5 Ų27.54%0.03714%0.139CC..Hα-helixtrans-70.7-29.7-179.7-76.1-8.4000112.5V414 A423 H424 R425 I427 A549 I550V414-D546 HydrophobicContact CG1-CB 3.92Å; V414-D546 HydrophobicContact CG2-CB 3.91Å; A423-D546 WeakPolarHBondContact CA-OD2 3.31Å; H424-D546 WeakPolarHBondContact CB-OD2 3.06Å; H424-D546 PolarHBondContact N-OD2 3.46Å; R425-D546 PolarHBondContact N-OD1 2.84Å; R425-D546 VanDerWaalsContact N-OD1 3.14Å; I427-D546 HydrophobicContact CD1-CB 3.57Å; D546-A549 PolarHBondContact O-N 3.03Å; D546-I550 PolarHBondContact O-N 2.83Å
547I97.3Very high92.8Very high0 Ų023.1 Ų23.10%012%0.117CC..Hα-helixtrans-60.6-47.2171.6-70.7-174.4000110.4F411 V414 E418 S545 I550 A551 C597 P606 A608F411-I547 HydrophobicContact CE1-CG2 4.33Å; V414-I547 HydrophobicContact CG1-CG1 3.98Å; E418-I547 WeakPolarHBondContact OE1-CD1 3.38Å; S545-I547 VanDerWaalsContact C-N 3.34Å; I547-I550 PolarHBondContact O-N 3.43Å; I547-A551 WeakPolarHBondContact O-CB 3.25Å; I547-A551 PolarHBondContact O-N 3.09Å; I547-C597 HydrophobicContact CG2-CB 3.78Å; I547-P606 WeakPolarHBondContact CD1-O 3.33Å; I547-A608 HydrophobicContact CD1-CB 3.98Å; I547-A608 HydrophobicContact CG1-CB 4Å
548W97.3Very high93.7Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-61-48.2177.8-172.398.3000110.2L517 A519 S545 I550 A551 T552 F564 Y574 L598L517-W548 HydrophobicContact CB-CZ3 4.35Å; L517-W548 HydrophobicContact CD2-CZ3 4.43Å; A519-W548 HydrophobicContact CB-CB 3.86Å; A519-W548 HydrophobicContact CB-CD2 4.1Å; A519-W548 HydrophobicContact CB-CE3 4.32Å; A519-W548 HydrophobicContact CB-CG 3.89Å; S545-W548 WeakPolarHBondContact O-CB 3.22Å; S545-W548 PolarHBondContact O-N 2.92Å; W548-I550 PolarHBondContact O-N 2.82Å; W548-A551 PolarHBondContact O-N 3.34Å; W548-T552 HydrophobicContact CD2-CG2 4.27Å; W548-T552 HydrophobicContact CE3-CG2 3.84Å; W548-T552 HydrophobicContact CH2-CG2 3.7Å; W548-T552 HydrophobicContact CZ2-CG2 4.17Å; W548-T552 HydrophobicContact CZ3-CG2 3.51Å; W548-T552 WeakPolarHBondContact O-CG2 3.33Å; W548-T552 PolarHBondContact O-N 3.37Å; W548-F564 HydrophobicContact CH2-CB 4.14Å; W548-F564 AromaticContact CH2-CD1 3.77Å; W548-F564 HydrophobicContact CH2-CD1 3.77Å; W548-F564 AromaticContact CH2-CD2 3.84Å; W548-F564 HydrophobicContact CH2-CD2 3.84Å; W548-F564 HydrophobicContact CH2-CE1 4.09Å; W548-F564 HydrophobicContact CH2-CE2 4.16Å; W548-F564 AromaticContact CH2-CG 3.63Å; W548-F564 HydrophobicContact CH2-CG 3.63Å; W548-F564 HydrophobicContact CH2-CZ 4.28Å; W548-F564 AromaticContact CZ2-CD1 3.88Å; W548-F564 HydrophobicContact CZ2-CD1 3.88Å; W548-F564 HydrophobicContact CZ2-CD2 4.1Å; W548-F564 AromaticContact CZ2-CE1 3.7Å; W548-F564 HydrophobicContact CZ2-CE1 3.7Å; W548-F564 AromaticContact CZ2-CE2 3.93Å; W548-F564 HydrophobicContact CZ2-CE2 3.93Å; W548-F564 HydrophobicContact CZ2-CG 4.07Å; W548-F564 AromaticContact CZ2-CZ 3.73Å; W548-F564 HydrophobicContact CZ2-CZ 3.73Å; W548-Y574 HydrophobicContact CZ2-CE1 4.33Å; W548-Y574 AromaticContact NE1-CZ 3.85Å; W548-Y574 PolarHBondContact NE1-OH 2.68Å; W548-L598 HydrophobicContact CD2-CD2 4.04Å; W548-L598 HydrophobicContact CG-CD2 4Å; W548-L598 HydrophobicContact CZ2-CD2 4.44Å
549A97Very high94.2Very high4 Ų422.3 Ų22.33%0.03312%0.122CC..Hα-helixtrans-60.1-44.9179.900000112.8I427 L517 S545 D546 T552I427-A549 HydrophobicContact CB-CB 3.95Å; I427-A549 HydrophobicContact CG2-CB 4.24Å; L517-A549 HydrophobicContact CB-CB 4.44Å; S545-A549 PolarHBondContact O-N 3.39Å; S545-A549 VanDerWaalsContact O-N 3.09Å; D546-A549 PolarHBondContact O-N 3.03Å; A549-T552 PolarHBondContact O-N 3.44Å; A549-T552 PolarHBondContact O-OG1 2.95Å
550I97.4Very high94.8Very high6 Ų621.6 Ų21.63%0.03112%0.117CC..Hα-helixtrans-61.8-42.9175.2-75.4-175.3000111.7L410 F411 V414 I427 D546 I547 W548 T552 L553L410-I550 HydrophobicContact CB-CD1 3.95Å; L410-I550 HydrophobicContact CB-CG2 4.15Å; L410-I550 VanDerWaalsContact O-CD1 3.28Å; L410-I550 WeakPolarHBondContact O-CD1 3.36Å; F411-I550 HydrophobicContact CD2-CG2 3.96Å; F411-I550 HydrophobicContact CE1-CG2 4.25Å; F411-I550 HydrophobicContact CE2-CG2 3.62Å; F411-I550 HydrophobicContact CG-CG2 4.41Å; F411-I550 HydrophobicContact CZ-CG2 3.77Å; V414-I550 HydrophobicContact CB-CD1 3.87Å; V414-I550 HydrophobicContact CG2-CD1 3.17Å; V414-I550 HydrophobicContact CG2-CG1 4.15Å; I427-I550 HydrophobicContact CD1-CD1 4.15Å; I427-I550 HydrophobicContact CD1-CG1 3.82Å; I427-I550 HydrophobicContact CG2-CG1 3.87Å; D546-I550 PolarHBondContact O-N 2.83Å; I547-I550 PolarHBondContact O-N 3.43Å; W548-I550 PolarHBondContact O-N 2.82Å; I550-T552 PolarHBondContact O-N 2.77Å; I550-L553 VanDerWaalsContact O-CB 3.27Å; I550-L553 WeakPolarHBondContact O-CB 3.06Å; I550-L553 PolarHBondContact O-N 3.02Å
551A97.8Very high95.2Very high0 Ų019.9 Ų19.90%012%0.12CC..Hα-helixtrans-60.7-35.1-178.300000112I547 W548 L553 I554 L594 C597 L598I547-A551 WeakPolarHBondContact O-CB 3.25Å; I547-A551 PolarHBondContact O-N 3.09Å; W548-A551 PolarHBondContact O-N 3.34Å; A551-L553 PolarHBondContact O-N 2.96Å; A551-I554 VanDerWaalsContact O-CB 3.32Å; A551-I554 WeakPolarHBondContact O-CB 3.11Å; A551-I554 VanDerWaalsContact O-CG1 3.28Å; A551-I554 WeakPolarHBondContact O-CG1 3.2Å; A551-I554 PolarHBondContact O-N 3.16Å; A551-I554 VanDerWaalsContact O-N 3.12Å; A551-L594 WeakPolarHBondContact O-CD2 3.46Å; A551-C597 HydrophobicContact CB-CB 3.43Å; A551-C597 VanDerWaalsContact CB-CB 3.43Å; A551-L598 HydrophobicContact CB-CD2 3.79Å; A551-L598 HydrophobicContact CB-CG 4.09Å
552T96.8Very high95.6Very high0 Ų018.1 Ų18.10%011%0.11CC..Hα-helixtrans-62.8-22.9174.4740000113.7L517 W548 A549 I550 I554 Y555 P556 N562 F564 L598L517-T552 HydrophobicContact CD2-CG2 4.3Å; L517-T552 WeakPolarHBondContact CD2-OG1 3.41Å; W548-T552 HydrophobicContact CD2-CG2 4.27Å; W548-T552 HydrophobicContact CE3-CG2 3.84Å; W548-T552 HydrophobicContact CH2-CG2 3.7Å; W548-T552 HydrophobicContact CZ2-CG2 4.17Å; W548-T552 HydrophobicContact CZ3-CG2 3.51Å; W548-T552 WeakPolarHBondContact O-CG2 3.33Å; W548-T552 PolarHBondContact O-N 3.37Å; A549-T552 PolarHBondContact O-N 3.44Å; A549-T552 PolarHBondContact O-OG1 2.95Å; I550-T552 PolarHBondContact O-N 2.77Å; T552-I554 PolarHBondContact O-N 2.65Å; T552-Y555 PolarHBondContact O-N 2.86Å; T552-P556 VanDerWaalsContact O-CD 3.3Å; T552-P556 WeakPolarHBondContact O-CD 3.47Å; T552-N562 VanDerWaalsContact CB-ND2 3.29Å; T552-N562 WeakPolarHBondContact CB-ND2 3.21Å; T552-N562 PolarHBondContact O-ND2 2.83Å; T552-N562 PolarHBondContact OG1-ND2 3.16Å; T552-F564 HydrophobicContact CG2-CD2 3.65Å; T552-F564 HydrophobicContact CG2-CE2 3.98Å; T552-L598 HydrophobicContact CG2-CD2 3.79Å
553L97.1Very high95.7Very high2 Ų218.2 Ų18.21%0.0111%0.111CC..THydrogen-bonded Turntrans-73.7-11.4178-54.8-176.8000113.1L410 I427 P429 I432 L517 I550 A551 Y555 P556 L557L410-L553 HydrophobicContact CD1-CD1 4.36Å; I427-L553 HydrophobicContact CG2-CD1 4.03Å; P429-L553 HydrophobicContact CG-CD2 4.03Å; I432-L553 HydrophobicContact CD1-CD1 3.43Å; I432-L553 VanDerWaalsContact CD1-CD1 3.43Å; L517-L553 HydrophobicContact CD1-CD2 4.26Å; I550-L553 VanDerWaalsContact O-CB 3.27Å; I550-L553 WeakPolarHBondContact O-CB 3.06Å; I550-L553 PolarHBondContact O-N 3.02Å; A551-L553 PolarHBondContact O-N 2.96Å; L553-Y555 VanDerWaalsContact C-N 3.29Å; L553-Y555 PolarHBondContact O-N 3.02Å; L553-P556 VanDerWaalsContact O-CD 3.3Å; L553-P556 WeakPolarHBondContact O-CD 3.31Å; L553-P556 WeakPolarHBondContact O-CG 3.04Å; L553-L557 WeakPolarHBondContact O-CB 3.47Å; L553-L557 WeakPolarHBondContact O-CD1 3.26Å; L553-L557 VanDerWaalsContact O-CG 3.27Å; L553-L557 WeakPolarHBondContact O-CG 3.45Å; L553-L557 PolarHBondContact O-N 2.85Å; L553-L557 VanDerWaalsContact O-N 3.15Å
554I97.8Very high95.9Very high0 Ų013.5 Ų13.50%09%0.091CC..Hα-helixtrans-61.4-41173.9-63176.1000110I407 A551 T552 L557 F558 L582 M590 I593 L594I407-I554 HydrophobicContact CD1-CG1 4.08Å; A551-I554 VanDerWaalsContact O-CB 3.32Å; A551-I554 WeakPolarHBondContact O-CB 3.11Å; A551-I554 VanDerWaalsContact O-CG1 3.28Å; A551-I554 WeakPolarHBondContact O-CG1 3.2Å; A551-I554 PolarHBondContact O-N 3.16Å; A551-I554 VanDerWaalsContact O-N 3.12Å; T552-I554 PolarHBondContact O-N 2.65Å; I554-L557 PolarHBondContact O-N 2.76Å; I554-F558 HydrophobicContact CG2-CD2 3.72Å; I554-F558 HydrophobicContact CG2-CE2 4.03Å; I554-F558 WeakPolarHBondContact O-CD2 3.4Å; I554-F558 PolarHBondContact O-N 3.33Å; I554-L582 HydrophobicContact CG2-CD1 3.87Å; I554-L582 HydrophobicContact CG2-CD2 4.24Å; I554-M590 HydrophobicContact CG2-CB 4.27Å; I554-I593 HydrophobicContact CD1-CB 4.2Å; I554-I593 HydrophobicContact CD1-CG2 3.64Å; I554-L594 HydrophobicContact CB-CD2 4.08Å; I554-L594 HydrophobicContact CB-CG 4.47Å; I554-L594 HydrophobicContact CD1-CD2 4.15Å; I554-L594 HydrophobicContact CD1-CG 4.21Å; I554-L594 HydrophobicContact CG2-CD1 4.31Å; I554-L594 HydrophobicContact CG2-CD2 4.45Å; I554-L594 HydrophobicContact CG2-CG 4.34Å
555Y97.2Very high95.8Very high0 Ų016.9 Ų16.90%011%0.112CC..Hα-helixtrans-54.3-60.6177.2-72-71000113T552 L553 L557 F558 G559 I560 P563 P580 L582 L594 L598T552-Y555 PolarHBondContact O-N 2.86Å; L553-Y555 VanDerWaalsContact C-N 3.29Å; L553-Y555 PolarHBondContact O-N 3.02Å; Y555-L557 VanDerWaalsContact C-N 3.26Å; Y555-L557 PolarHBondContact O-N 3.05Å; Y555-F558 CarbonylContact O-C 3.53Å; Y555-F558 PolarHBondContact O-N 3.22Å; Y555-G559 PolarHBondContact O-N 3.38Å; Y555-I560 CarbonylContact C-O 3.54Å; Y555-I560 HydrophobicContact CD1-CB 4.22Å; Y555-I560 HydrophobicContact CD1-CD1 4.4Å; Y555-I560 HydrophobicContact CD1-CG2 4.09Å; Y555-I560 PolarHBondContact O-N 3.08Å; Y555-P563 HydrophobicContact CD2-CG 3.78Å; Y555-P563 HydrophobicContact CE2-CG 3.68Å; Y555-P563 HydrophobicContact CG-CG 4.28Å; Y555-P580 HydrophobicContact CE1-CB 3.82Å; Y555-P580 HydrophobicContact CE1-CG 4.23Å; Y555-P580 WeakPolarHBondContact CE1-O 3.42Å; Y555-P580 VanDerWaalsContact OH-CD 3.32Å; Y555-P580 WeakPolarHBondContact OH-CD 3.3Å; Y555-P580 PolarHBondContact OH-O 3.29Å; Y555-L582 HydrophobicContact CD1-CD2 3.9Å; Y555-L582 HydrophobicContact CE1-CD2 4.02Å; Y555-L594 HydrophobicContact CD2-CD2 4.25Å; Y555-L594 HydrophobicContact CE1-CD1 4.21Å; Y555-L594 HydrophobicContact CE2-CD1 4.24Å; Y555-L594 HydrophobicContact CE2-CD2 3.73Å; Y555-L598 HydrophobicContact CE2-CD1 4.33Å
556P95.9Very high95.6Very high23 Ų2320.3 Ų20.315%0.14913%0.13CC..Hα-helixtrans-63.8-32.7-179.623.2-33.2000112.1L319 H393 T552 L553 F558 G559 I560 N562L319-P556 HydrophobicContact CD1-CB 3.96Å; L319-P556 HydrophobicContact CD1-CG 4.49Å; L319-P556 HydrophobicContact CD2-CB 4.3Å; L319-P556 VanDerWaalsContact CD2-O 3.29Å; L319-P556 WeakPolarHBondContact CD2-O 2.94Å; H393-P556 PolarHBondContact CE1-O 3.2Å; T552-P556 VanDerWaalsContact O-CD 3.3Å; T552-P556 WeakPolarHBondContact O-CD 3.47Å; L553-P556 VanDerWaalsContact O-CD 3.3Å; L553-P556 WeakPolarHBondContact O-CD 3.31Å; L553-P556 WeakPolarHBondContact O-CG 3.04Å; P556-F558 VanDerWaalsContact C-N 3.26Å; P556-F558 PolarHBondContact O-N 2.74Å; P556-G559 PolarHBondContact O-N 3.45Å; P556-G559 VanDerWaalsContact O-N 3.08Å; P556-I560 WeakPolarHBondContact CA-O 3.26Å; P556-N562 HydrophobicContact CG-CB 4.45Å
557L96.1Very high95.2Very high1 Ų123 Ų231%0.00516%0.16CC..Hα-helixtrans-63.7-30.4174.6-78.6168.5000113.4L315 L319 H393 I403 I406 I407 L553 I554 Y555L315-L557 HydrophobicContact CD1-CD2 3.98Å; L319-L557 HydrophobicContact CD2-CD2 4.25Å; H393-L557 PolarHBondContact CE1-O 2.99Å; H393-L557 VanDerWaalsContact CE1-O 3.27Å; H393-L557 PolarHBondContact NE2-O 3.36Å; I403-L557 VanDerWaalsContact CD1-O 3.28Å; I403-L557 WeakPolarHBondContact CD1-O 3.35Å; I403-L557 HydrophobicContact CG2-CB 3.86Å; I406-L557 HydrophobicContact CG2-CD1 4.38Å; I406-L557 HydrophobicContact CG2-CD2 4.26Å; I407-L557 HydrophobicContact CD1-CD1 3.99Å; I407-L557 HydrophobicContact CG1-CD1 3.47Å; I407-L557 VanDerWaalsContact CG1-CD1 3.47Å; L553-L557 WeakPolarHBondContact O-CB 3.47Å; L553-L557 WeakPolarHBondContact O-CD1 3.26Å; L553-L557 VanDerWaalsContact O-CG 3.27Å; L553-L557 WeakPolarHBondContact O-CG 3.45Å; L553-L557 PolarHBondContact O-N 2.85Å; L553-L557 VanDerWaalsContact O-N 3.15Å; I554-L557 PolarHBondContact O-N 2.76Å; Y555-L557 VanDerWaalsContact C-N 3.26Å; Y555-L557 PolarHBondContact O-N 3.05Å
558F95.8Very high94.9Very high5 Ų527.2 Ų27.22%0.02219%0.185CC..THydrogen-bonded Turntrans-94.514.9173.9-78.5-81.2000113.6I391 V400 I403 I407 I554 Y555 P556 L582 P583 A586 M590I391-F558 HydrophobicContact CD1-CD1 3.87Å; I391-F558 HydrophobicContact CD1-CE1 4.49Å; I391-F558 HydrophobicContact CG1-CD1 3.85Å; I391-F558 HydrophobicContact CG1-CE1 4.3Å; I391-F558 VanDerWaalsContact CG2-C 3.43Å; V400-F558 HydrophobicContact CG1-CE1 4.35Å; V400-F558 HydrophobicContact CG2-CE1 4.31Å; I403-F558 HydrophobicContact CB-CZ 4.47Å; I403-F558 HydrophobicContact CG2-CD2 4.14Å; I403-F558 HydrophobicContact CG2-CE1 4.4Å; I403-F558 HydrophobicContact CG2-CE2 3.57Å; I403-F558 HydrophobicContact CG2-CZ 3.72Å; I407-F558 HydrophobicContact CD1-CE2 4.06Å; I554-F558 HydrophobicContact CG2-CD2 3.72Å; I554-F558 HydrophobicContact CG2-CE2 4.03Å; I554-F558 WeakPolarHBondContact O-CD2 3.4Å; I554-F558 PolarHBondContact O-N 3.33Å; Y555-F558 CarbonylContact O-C 3.53Å; Y555-F558 PolarHBondContact O-N 3.22Å; P556-F558 VanDerWaalsContact C-N 3.26Å; P556-F558 PolarHBondContact O-N 2.74Å; F558-L582 HydrophobicContact CB-CD2 4.21Å; F558-P583 HydrophobicContact CB-CG 4.15Å; F558-P583 HydrophobicContact CD1-CG 4.42Å; F558-A586 HydrophobicContact CD1-CB 3.56Å; F558-A586 HydrophobicContact CE1-CB 3.58Å; F558-A586 HydrophobicContact CG-CB 4.13Å; F558-A586 HydrophobicContact CZ-CB 4.14Å; F558-M590 HydrophobicContact CE2-CB 4.21Å; F558-M590 HydrophobicContact CE2-CG 3.57Å; F558-M590 HydrophobicContact CE2-SD 3.71Å; F558-M590 HydrophobicContact CZ-CG 3.61Å; F558-M590 HydrophobicContact CZ-SD 4.07Å
559G93.2Very high94.6Very high49 Ų4929.2 Ų29.251%0.50519%0.194SC..THydrogen-bonded Turntrans81.711.8171.900000114.7Y555 P556Y555-G559 PolarHBondContact O-N 3.38Å; P556-G559 PolarHBondContact O-N 3.45Å; P556-G559 VanDerWaalsContact O-N 3.08Å
560I93.6Very high94.2Very high53 Ų5331.4 Ų31.427%0.27221%0.209SC..SBendtrans-103.7138.1175.4-57.9175.1000108.8Y555 P556 N562 E581 L582Y555-I560 CarbonylContact C-O 3.54Å; Y555-I560 HydrophobicContact CD1-CB 4.22Å; Y555-I560 HydrophobicContact CD1-CD1 4.4Å; Y555-I560 HydrophobicContact CD1-CG2 4.09Å; Y555-I560 PolarHBondContact O-N 3.08Å; P556-I560 WeakPolarHBondContact CA-O 3.26Å; I560-N562 PolarHBondContact O-N 2.73Å; I560-E581 WeakPolarHBondContact CD1-O 3.44Å; I560-L582 HydrophobicContact CD1-CD2 4.28Å
561S93.7Very high93.8Very high79 Ų7931.6 Ų31.655%0.55221%0.211SC*.PPolyproline II helixtrans-54.2141.4170.8-67.50000111.2P563 D566S561-P563 VanDerWaalsContact O-CD 3.29Å; S561-P563 WeakPolarHBondContact O-CD 3.48Å; S561-P563 VanDerWaalsContact O-N 3.17Å; S561-D566 WeakPolarHBondContact CB-OD2 3.35Å
562N95.2Very high93.3Very high15 Ų1533.7 Ų33.78%0.0822%0.224CC..PPolyproline II helixtrans-67.5116.8176.8-177.3-34.6000109T552 P556 I560 F564 V565 D566T552-N562 VanDerWaalsContact CB-ND2 3.29Å; T552-N562 WeakPolarHBondContact CB-ND2 3.21Å; T552-N562 PolarHBondContact O-ND2 2.83Å; T552-N562 PolarHBondContact OG1-ND2 3.16Å; P556-N562 HydrophobicContact CG-CB 4.45Å; I560-N562 PolarHBondContact O-N 2.73Å; N562-F564 PolarHBondContact O-N 3.33Å; N562-F564 VanDerWaalsContact O-N 3.09Å; N562-F564 PolarHBondContact OD1-N 2.9Å; N562-V565 HydrophobicContact CB-CB 4.06Å; N562-V565 HydrophobicContact CB-CG2 3.87Å; N562-V565 PolarHBondContact O-N 2.71Å; N562-D566 PolarHBondContact O-N 3.11Å
563P94.6Very high92.9Very high3 Ų339.2 Ų39.22%0.01925%0.253CS..THydrogen-bonded Turntrans-64.8-20.9-17125.4-34.4000113.1Y555 S561 D566 T568 F569 P580Y555-P563 HydrophobicContact CD2-CG 3.78Å; Y555-P563 HydrophobicContact CE2-CG 3.68Å; Y555-P563 HydrophobicContact CG-CG 4.28Å; S561-P563 VanDerWaalsContact O-CD 3.29Å; S561-P563 WeakPolarHBondContact O-CD 3.48Å; S561-P563 VanDerWaalsContact O-N 3.17Å; P563-D566 VanDerWaalsContact CA-OD1 3.32Å; P563-D566 WeakPolarHBondContact CA-OD1 3.18Å; P563-D566 VanDerWaalsContact O-OD1 3.12Å; P563-T568 HydrophobicContact CB-CG2 4.38Å; P563-T568 PolarHBondContact O-N 3.39Å; P563-F569 HydrophobicContact CB-CB 4.49Å; P563-F569 HydrophobicContact CB-CD2 4.22Å; P563-F569 PolarHBondContact O-N 3.16Å; P563-P580 HydrophobicContact CB-CG 4.05Å; P563-P580 HydrophobicContact CG-CG 4.17Å
564F94.1Very high92.7Very high13 Ų1339.4 Ų39.46%0.05725%0.254CS..THydrogen-bonded Turntrans-87.5-12.1177.2-58.4-79.6000113.1L517 W548 T552 N562 F569 Y574 L579 L598L517-F564 HydrophobicContact CD2-CB 4.17Å; W548-F564 HydrophobicContact CH2-CB 4.14Å; W548-F564 AromaticContact CH2-CD1 3.77Å; W548-F564 HydrophobicContact CH2-CD1 3.77Å; W548-F564 AromaticContact CH2-CD2 3.84Å; W548-F564 HydrophobicContact CH2-CD2 3.84Å; W548-F564 HydrophobicContact CH2-CE1 4.09Å; W548-F564 HydrophobicContact CH2-CE2 4.16Å; W548-F564 AromaticContact CH2-CG 3.63Å; W548-F564 HydrophobicContact CH2-CG 3.63Å; W548-F564 HydrophobicContact CH2-CZ 4.28Å; W548-F564 AromaticContact CZ2-CD1 3.88Å; W548-F564 HydrophobicContact CZ2-CD1 3.88Å; W548-F564 HydrophobicContact CZ2-CD2 4.1Å; W548-F564 AromaticContact CZ2-CE1 3.7Å; W548-F564 HydrophobicContact CZ2-CE1 3.7Å; W548-F564 AromaticContact CZ2-CE2 3.93Å; W548-F564 HydrophobicContact CZ2-CE2 3.93Å; W548-F564 HydrophobicContact CZ2-CG 4.07Å; W548-F564 AromaticContact CZ2-CZ 3.73Å; W548-F564 HydrophobicContact CZ2-CZ 3.73Å; T552-F564 HydrophobicContact CG2-CD2 3.65Å; T552-F564 HydrophobicContact CG2-CE2 3.98Å; N562-F564 PolarHBondContact O-N 3.33Å; N562-F564 VanDerWaalsContact O-N 3.09Å; N562-F564 PolarHBondContact OD1-N 2.9Å; F564-F569 HydrophobicContact CD1-CB 3.81Å; F564-F569 HydrophobicContact CE1-CB 3.7Å; F564-F569 HydrophobicContact CE1-CD2 4.33Å; F564-F569 HydrophobicContact CZ-CB 4.37Å; F564-F569 HydrophobicContact CZ-CD2 4.22Å; F564-Y574 AromaticContact CE1-CD1 3.76Å; F564-Y574 HydrophobicContact CE1-CD1 3.76Å; F564-Y574 HydrophobicContact CE1-CD2 4.31Å; F564-Y574 HydrophobicContact CE1-CE1 4.21Å; F564-Y574 AromaticContact CE1-CG 3.8Å; F564-Y574 HydrophobicContact CE1-CG 3.8Å; F564-Y574 HydrophobicContact CZ-CD1 4.3Å; F564-Y574 HydrophobicContact CZ-CD2 4.15Å; F564-Y574 HydrophobicContact CZ-CE1 4.49Å; F564-Y574 HydrophobicContact CZ-CE2 4.36Å; F564-Y574 HydrophobicContact CZ-CG 4.11Å; F564-L579 HydrophobicContact CZ-CD2 4.34Å; F564-L598 HydrophobicContact CE2-CD1 4.18Å
565V91.8Very high92.5Very high88 Ų8843.2 Ų43.253%0.53328%0.277SS..THydrogen-bonded Turntrans-101.5-37.7178.4-1790000111A516 L517 N562 G567A516-V565 HydrophobicContact CB-CG2 4.34Å; L517-V565 HydrophobicContact CD2-CG2 3.68Å; L517-V565 HydrophobicContact CG-CG2 4.21Å; N562-V565 HydrophobicContact CB-CB 4.06Å; N562-V565 HydrophobicContact CB-CG2 3.87Å; N562-V565 PolarHBondContact O-N 2.71Å; V565-G567 VanDerWaalsContact C-N 3.27Å; V565-G567 PolarHBondContact O-N 2.87Å
566D92Very high92.3Very high78 Ų7845.7 Ų45.742%0.41729%0.289SS..SBendtrans-80.1-6.3179.86817.5000114.1S561 N562 P563 T568S561-D566 WeakPolarHBondContact CB-OD2 3.35Å; N562-D566 PolarHBondContact O-N 3.11Å; P563-D566 VanDerWaalsContact CA-OD1 3.32Å; P563-D566 WeakPolarHBondContact CA-OD1 3.18Å; P563-D566 VanDerWaalsContact O-OD1 3.12Å; D566-T568 VanDerWaalsContact CG-OG1 3.32Å; D566-T568 WeakPolarHBondContact OD1-CB 3.45Å; D566-T568 PolarHBondContact OD1-N 2.89Å; D566-T568 PolarHBondContact OD1-OG1 3.49Å; D566-T568 PolarHBondContact OD2-OG1 2.94Å
567G87.8Confident92.1Very high65 Ų6552.2 Ų52.267%0.6732%0.322SS*.SBendtrans87.72.6178.600000114.7V565 F569V565-G567 VanDerWaalsContact C-N 3.27Å; V565-G567 PolarHBondContact O-N 2.87Å; G567-F569 PolarHBondContact O-N 2.73Å
568T90.8Very high92Very high87 Ų8755.1 Ų55.153%0.53434%0.343SS..SBendtrans-57.2-42.9172.9-58.30000110.5P563 D566P563-T568 HydrophobicContact CB-CG2 4.38Å; P563-T568 PolarHBondContact O-N 3.39Å; D566-T568 VanDerWaalsContact CG-OG1 3.32Å; D566-T568 WeakPolarHBondContact OD1-CB 3.45Å; D566-T568 PolarHBondContact OD1-N 2.89Å; D566-T568 PolarHBondContact OD1-OG1 3.49Å; D566-T568 PolarHBondContact OD2-OG1 2.94Å
569F91.1Very high91.9Very high42 Ų4255.7 Ų55.718%0.18435%0.346CS..  trans-125.9149.6175.5-73.4-20.2000113.2P563 F564 G567 S578 L579 P580P563-F569 HydrophobicContact CB-CB 4.49Å; P563-F569 HydrophobicContact CB-CD2 4.22Å; P563-F569 PolarHBondContact O-N 3.16Å; F564-F569 HydrophobicContact CD1-CB 3.81Å; F564-F569 HydrophobicContact CE1-CB 3.7Å; F564-F569 HydrophobicContact CE1-CD2 4.33Å; F564-F569 HydrophobicContact CZ-CB 4.37Å; F564-F569 HydrophobicContact CZ-CD2 4.22Å; G567-F569 PolarHBondContact O-N 2.73Å; F569-S578 WeakPolarHBondContact CE2-O 3.29Å; F569-S578 WeakPolarHBondContact CZ-O 3.47Å; F569-L579 HydrophobicContact CE2-CD2 4.34Å; F569-P580 HydrophobicContact CE2-CG 4.36Å
570S88.9Confident91.9Very high50 Ų5055.2 Ų55.235%0.3533%0.334SS..  trans-104.9132.5165.7172.60000109V572 N573 Y574S570-V572 PolarHBondContact O-N 3.46Å; S570-V572 VanDerWaalsContact O-N 3.08Å; S570-V572 WeakPolarHBondContact OG-CB 3.27Å; S570-V572 WeakPolarHBondContact OG-CG2 3.29Å; S570-V572 PolarHBondContact OG-N 2.87Å; S570-N573 WeakPolarHBondContact CB-OD1 2.78Å; S570-N573 PolarHBondContact O-N 3.27Å; S570-Y574 PolarHBondContact O-N 3.44Å
571S89.3Confident91.9Very high11 Ų1161 Ų618%0.07736%0.36CS..THydrogen-bonded Turntrans-59.3-19.4173.356.90000112.3L518 P520 V523L518-S571 WeakPolarHBondContact O-CB 3.31Å; L518-S571 PolarHBondContact O-OG 2.87Å; L518-S571 VanDerWaalsContact O-OG 3.13Å; P520-S571 WeakPolarHBondContact CB-O 3.44Å; V523-S571 WeakPolarHBondContact CG2-OG 3.18Å
572V86.8Confident92Very high44 Ų4458.2 Ų58.227%0.26734%0.339SS..THydrogen-bonded Turntrans-64.9-46.3176.3-175.90000112V523 D527 S570 R600V523-V572 HydrophobicContact CB-CG2 4.35Å; V523-V572 HydrophobicContact CG1-CG2 3.45Å; V523-V572 VanDerWaalsContact CG1-CG2 3.45Å; D527-V572 VanDerWaalsContact OD2-CG2 3.29Å; D527-V572 WeakPolarHBondContact OD2-CG2 3.48Å; S570-V572 PolarHBondContact O-N 3.46Å; S570-V572 VanDerWaalsContact O-N 3.08Å; S570-V572 WeakPolarHBondContact OG-CB 3.27Å; S570-V572 WeakPolarHBondContact OG-CG2 3.29Å; S570-V572 PolarHBondContact OG-N 2.87Å; V572-R600 PolarHBondContact O-NH1 3.04Å; V572-R600 VanDerWaalsContact O-NH1 3.11Å; V572-R600 PolarHBondContact O-NH2 3.37Å
573N88.3Confident91.9Very high115 Ų11559.2 Ų59.262%0.61535%0.346SS*.THydrogen-bonded Turntrans-1388.9-161.266.41.6000115S570S570-N573 WeakPolarHBondContact CB-OD1 2.78Å; S570-N573 PolarHBondContact O-N 3.27Å
574Y93.5Very high91.7Very high7 Ų767.2 Ų67.23%0.02738%0.383CS..  trans-58.1148.3173.379.4-78.5000112.2P520 W548 F564 S570 E576 L579 L598 R600P520-Y574 HydrophobicContact CB-CE1 4.27Å; P520-Y574 HydrophobicContact CG-CE1 4.06Å; W548-Y574 HydrophobicContact CZ2-CE1 4.33Å; W548-Y574 AromaticContact NE1-CZ 3.85Å; W548-Y574 PolarHBondContact NE1-OH 2.68Å; F564-Y574 AromaticContact CE1-CD1 3.76Å; F564-Y574 HydrophobicContact CE1-CD1 3.76Å; F564-Y574 HydrophobicContact CE1-CD2 4.31Å; F564-Y574 HydrophobicContact CE1-CE1 4.21Å; F564-Y574 AromaticContact CE1-CG 3.8Å; F564-Y574 HydrophobicContact CE1-CG 3.8Å; F564-Y574 HydrophobicContact CZ-CD1 4.3Å; F564-Y574 HydrophobicContact CZ-CD2 4.15Å; F564-Y574 HydrophobicContact CZ-CE1 4.49Å; F564-Y574 HydrophobicContact CZ-CE2 4.36Å; F564-Y574 HydrophobicContact CZ-CG 4.11Å; S570-Y574 PolarHBondContact O-N 3.44Å; Y574-E576 HydrophobicContact CE2-CG 4.16Å; Y574-L579 HydrophobicContact CD2-CD2 4.21Å; Y574-L579 HydrophobicContact CE2-CD2 4.32Å; Y574-L598 WeakPolarHBondContact CE2-O 3.26Å; Y574-L598 PolarHBondContact OH-O 3.29Å; Y574-R600 HydrophobicContact CE1-CG 3.85Å; Y574-R600 HydrophobicContact CE2-CG 4.16Å; Y574-R600 WeakPolarHBondContact O-CD 3.41Å; Y574-R600 PolarHBondContact O-NH1 3.06Å
575T93.5Very high91.5Very high79 Ų7969.7 Ų69.749%0.48540%0.395SS..  trans-98.7131.5172.839.40000109.8D577 S578T575-D577 PolarHBondContact O-N 3.19Å; T575-S578 PolarHBondContact O-N 2.79Å; T575-S578 VanDerWaalsContact OG1-CB 3.22Å; T575-S578 WeakPolarHBondContact OG1-CB 3.09Å; T575-S578 PolarHBondContact OG1-OG 2.72Å
576E93.1Very high91.6Very high53 Ų5366.1 Ų66.125%0.24838%0.375CS..G310 helixtrans-63.9-29.3-175.2-62.2176.5-163.200112.8Y574 S578 L579 R600Y574-E576 HydrophobicContact CE2-CG 4.16Å; E576-S578 PolarHBondContact O-N 2.78Å; E576-L579 WeakPolarHBondContact O-CG 2.95Å; E576-R600 HydrophobicContact CG-CG 4.1Å; E576-R600 WeakPolarHBondContact OE1-CB 3.34Å; E576-R600 WeakPolarHBondContact OE1-CG 3.07Å; E576-R600 PolarHBondContact OE1-N 3.47Å
577D91.2Very high91.6Very high159 Ų15963 Ų6385%0.8536%0.358SS*.G310 helixtrans-76.6-7.8176.5-60.9-36.6000113.5T575T575-D577 PolarHBondContact O-N 3.19Å
578S93Very high91.7Very high62 Ų6266.2 Ų66.243%0.43435%0.354SS..G310 helixtrans-105.23.1-175.9-52.70000113.3F569 T575 E576F569-S578 WeakPolarHBondContact CE2-O 3.29Å; F569-S578 WeakPolarHBondContact CZ-O 3.47Å; T575-S578 PolarHBondContact O-N 2.79Å; T575-S578 VanDerWaalsContact OG1-CB 3.22Å; T575-S578 WeakPolarHBondContact OG1-CB 3.09Å; T575-S578 PolarHBondContact OG1-OG 2.72Å; E576-S578 PolarHBondContact O-N 2.78Å
579L93.8Very high91.8Very high17 Ų1762.1 Ų62.19%0.08933%0.329CS..PPolyproline II helixtrans-49.1131.3177-68.2175.7000111.7F564 F569 Y574 E576 E581 L598F564-L579 HydrophobicContact CZ-CD2 4.34Å; F569-L579 HydrophobicContact CE2-CD2 4.34Å; Y574-L579 HydrophobicContact CD2-CD2 4.21Å; Y574-L579 HydrophobicContact CE2-CD2 4.32Å; E576-L579 WeakPolarHBondContact O-CG 2.95Å; L579-E581 PolarHBondContact O-N 3.4Å; L579-L598 HydrophobicContact CD1-CB 4.11Å; L579-L598 HydrophobicContact CD1-CD1 4.11Å; L579-L598 HydrophobicContact CD2-CD1 3.83Å
580P93.7Very high92.1Very high40 Ų4060.1 Ų60.126%0.2632%0.32SS..PPolyproline II helixtrans-58.1141.8179-2430.4000111.6Y555 P563 F569Y555-P580 HydrophobicContact CE1-CB 3.82Å; Y555-P580 HydrophobicContact CE1-CG 4.23Å; Y555-P580 WeakPolarHBondContact CE1-O 3.42Å; Y555-P580 VanDerWaalsContact OH-CD 3.32Å; Y555-P580 WeakPolarHBondContact OH-CD 3.3Å; Y555-P580 PolarHBondContact OH-O 3.29Å; P563-P580 HydrophobicContact CB-CG 4.05Å; P563-P580 HydrophobicContact CG-CG 4.17Å; F569-P580 HydrophobicContact CE2-CG 4.36Å
581E94.4Very high92.3Very high175 Ų17560.1 Ų60.182%0.81832%0.318SS*.PPolyproline II helixtrans-68.7140.2175-64.6-175.2173.100110.7I560 L579I560-E581 WeakPolarHBondContact CD1-O 3.44Å; L579-E581 PolarHBondContact O-N 3.4Å
582L95.1Very high92.6Very high20 Ų2060.6 Ų60.611%0.10532%0.318CS..PPolyproline II helixtrans-76.8156.2170.8-70.5-179000110.3I554 Y555 F558 I560 A586 M590 L594I554-L582 HydrophobicContact CG2-CD1 3.87Å; I554-L582 HydrophobicContact CG2-CD2 4.24Å; Y555-L582 HydrophobicContact CD1-CD2 3.9Å; Y555-L582 HydrophobicContact CE1-CD2 4.02Å; F558-L582 HydrophobicContact CB-CD2 4.21Å; I560-L582 HydrophobicContact CD1-CD2 4.28Å; L582-A586 HydrophobicContact CB-CB 3.69Å; L582-A586 HydrophobicContact CD1-CB 4.02Å; L582-A586 HydrophobicContact CG-CB 4.47Å; L582-M590 HydrophobicContact CD1-CB 3.49Å; L582-M590 VanDerWaalsContact CD1-CB 3.49Å; L582-L594 HydrophobicContact CD1-CD1 3.66Å; L582-L594 HydrophobicContact CD2-CD1 3.98Å; L582-L594 HydrophobicContact CG-CD1 3.72Å
583P93.7Very high93Very high36 Ų3658.5 Ų58.523%0.23431%0.306CS..PPolyproline II helixtrans-64.3154.8177.833.9-39.1000110.4I391 F558 E585 A586I391-P583 HydrophobicContact CD1-CG 4.36Å; F558-P583 HydrophobicContact CB-CG 4.15Å; F558-P583 HydrophobicContact CD1-CG 4.42Å; P583-E585 WeakPolarHBondContact CB-OE2 3.24Å; P583-E585 PolarHBondContact O-N 2.81Å; P583-A586 HydrophobicContact CG-CB 4.47Å; P583-A586 WeakPolarHBondContact O-CB 3.26Å; P583-A586 PolarHBondContact O-N 3.12Å
584H90.5Very high93.4Very high171 Ų17153.2 Ų53.279%0.79228%0.277SS*.THydrogen-bonded Turntrans-60.4-20.1-174.471.5-62.8000114.8A586H584-A586 VanDerWaalsContact C-N 3.25Å; H584-A586 PolarHBondContact O-N 2.79Å
585E90.2Very high93.5Very high65 Ų6556.5 Ų56.530%0.30429%0.292SS..THydrogen-bonded Turntrans-68.1-22.9171.7-64.887.8164.800113A389 I391 V400 P583A389-E585 HydrophobicContact CB-CB 3.76Å; A389-E585 HydrophobicContact CB-CG 3.79Å; I391-E585 HydrophobicContact CD1-CB 3.81Å; I391-E585 HydrophobicContact CD1-CG 4.46Å; V400-E585 HydrophobicContact CG2-CB 4.49Å; V400-E585 WeakPolarHBondContact CG2-O 3.08Å; P583-E585 WeakPolarHBondContact CB-OE2 3.24Å; P583-E585 PolarHBondContact O-N 2.81Å
586A92.2Very high93.5Very high13 Ų1353.8 Ų53.811%0.10727%0.274CS..SBendtrans-71129.6179.500000110.9F558 L582 P583 H584F558-A586 HydrophobicContact CD1-CB 3.56Å; F558-A586 HydrophobicContact CE1-CB 3.58Å; F558-A586 HydrophobicContact CG-CB 4.13Å; F558-A586 HydrophobicContact CZ-CB 4.14Å; L582-A586 HydrophobicContact CB-CB 3.69Å; L582-A586 HydrophobicContact CD1-CB 4.02Å; L582-A586 HydrophobicContact CG-CB 4.47Å; P583-A586 HydrophobicContact CG-CB 4.47Å; P583-A586 WeakPolarHBondContact O-CB 3.26Å; P583-A586 PolarHBondContact O-N 3.12Å; H584-A586 VanDerWaalsContact C-N 3.25Å; H584-A586 PolarHBondContact O-N 2.79Å
587P91.8Very high93.7Very high12 Ų1251.2 Ų51.28%0.07826%0.262CS..  trans-58.6143.4173.6-25.836.6000110.9V400 V404 I589 M590 W618V400-P587 VanDerWaalsContact CG1-CD 3.41Å; V400-P587 HydrophobicContact CG1-CG 3.42Å; V400-P587 VanDerWaalsContact CG1-CG 3.42Å; V404-P587 HydrophobicContact CG2-CG 4.26Å; P587-I589 HydrophobicContact CB-CG2 3.58Å; P587-I589 PolarHBondContact O-N 2.8Å; P587-I589 VanDerWaalsContact O-N 3.09Å; P587-M590 HydrophobicContact CB-CG 4.37Å; P587-M590 HydrophobicContact CG-CG 4.46Å; P587-M590 VanDerWaalsContact O-CB 3.29Å; P587-M590 WeakPolarHBondContact O-CB 3.42Å; P587-M590 PolarHBondContact O-N 3.15Å; P587-W618 HydrophobicContact CB-CZ2 3.82Å; P587-W618 HydrophobicContact CG-CH2 3.99Å; P587-W618 HydrophobicContact CG-CZ2 3.4Å; P587-W618 VanDerWaalsContact CG-CZ2 3.4Å
588K91.1Very high93.9Very high133 Ų13343.7 Ų43.758%0.57822%0.222SC*.Hα-helixtrans-57.5-29.1-179.9-71.5174176.9173.80112.2M590 T591 W592 L718 E719K588-M590 PolarHBondContact O-N 2.92Å; K588-T591 PolarHBondContact O-N 3.49Å; K588-W592 PolarHBondContact O-N 3.27Å; K588-L718 WeakPolarHBondContact CB-O 3.3Å; K588-L718 WeakPolarHBondContact CD-O 3.31Å; K588-E719 PolarHBondContact N-OE1 3.35Å
589I92.7Very high94Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-57.3-30.8172.1-173.2159.1000113.2P587 W592 I593 I614 W618 V715 L718 E719P587-I589 HydrophobicContact CB-CG2 3.58Å; P587-I589 PolarHBondContact O-N 2.8Å; P587-I589 VanDerWaalsContact O-N 3.09Å; I589-W592 PolarHBondContact O-N 3.27Å; I589-I593 HydrophobicContact CG1-CD1 4.18Å; I589-I593 HydrophobicContact CG1-CG1 4.49Å; I589-I593 VanDerWaalsContact O-CG1 3.25Å; I589-I593 WeakPolarHBondContact O-CG1 3.38Å; I589-I593 PolarHBondContact O-N 2.93Å; I589-I614 HydrophobicContact CD1-CG2 3.34Å; I589-I614 HydrophobicContact CG1-CG2 4.21Å; I589-W618 HydrophobicContact CD1-CB 3.95Å; I589-W618 HydrophobicContact CD1-CG 4.27Å; I589-W618 HydrophobicContact CG2-CG 4.08Å; I589-V715 HydrophobicContact CD1-CG2 3.92Å; I589-L718 HydrophobicContact CB-CD1 4.37Å; I589-L718 HydrophobicContact CG1-CD1 4.31Å; I589-E719 WeakPolarHBondContact CB-OE1 3.38Å; I589-E719 WeakPolarHBondContact CG2-OE1 3.3Å; I589-E719 PolarHBondContact N-OE1 2.81Å
590M96.4Very high94.1Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-69.2-45.8177.7-61.7-65.7117.300111.2V404 I407 I554 F558 L582 P587 K588 W592 I593 L594 L615V404-M590 HydrophobicContact CB-CE 4.28Å; V404-M590 HydrophobicContact CG1-CE 3.88Å; V404-M590 HydrophobicContact CG2-CE 3.6Å; V404-M590 HydrophobicContact CG2-SD 4.23Å; I407-M590 HydrophobicContact CD1-SD 3.61Å; I554-M590 HydrophobicContact CG2-CB 4.27Å; F558-M590 HydrophobicContact CE2-CB 4.21Å; F558-M590 HydrophobicContact CE2-CG 3.57Å; F558-M590 HydrophobicContact CE2-SD 3.71Å; F558-M590 HydrophobicContact CZ-CG 3.61Å; F558-M590 HydrophobicContact CZ-SD 4.07Å; L582-M590 HydrophobicContact CD1-CB 3.49Å; L582-M590 VanDerWaalsContact CD1-CB 3.49Å; P587-M590 HydrophobicContact CB-CG 4.37Å; P587-M590 HydrophobicContact CG-CG 4.46Å; P587-M590 VanDerWaalsContact O-CB 3.29Å; P587-M590 WeakPolarHBondContact O-CB 3.42Å; P587-M590 PolarHBondContact O-N 3.15Å; K588-M590 PolarHBondContact O-N 2.92Å; M590-W592 VanDerWaalsContact C-N 3.29Å; M590-W592 PolarHBondContact O-N 2.99Å; M590-I593 HydrophobicContact CE-CD1 4.24Å; M590-I593 PolarHBondContact O-N 3.47Å; M590-L594 PolarHBondContact O-N 3.2Å; M590-L615 HydrophobicContact CE-CD2 3.36Å
591T94.6Very high94Very high51 Ų5145 Ų4531%0.31322%0.217SC..Hα-helixtrans-59.7-42.9173.7-53.10000110.6K588 I593 L594 H595K588-T591 PolarHBondContact O-N 3.49Å; T591-I593 PolarHBondContact O-N 3.4Å; T591-L594 WeakPolarHBondContact O-CB 3.42Å; T591-L594 PolarHBondContact O-N 2.9Å; T591-H595 PolarHBondContact O-CD2 3.37Å; T591-H595 VanDerWaalsContact O-CD2 3.24Å; T591-H595 PolarHBondContact O-N 3.5Å; T591-H595 VanDerWaalsContact O-N 3.11Å
592W94.3Very high93.9Very high20 Ų2038.3 Ų38.38%0.07619%0.188CC..Hα-helixtrans-61.2-43.8175.4179.484.6000112.7K588 I589 M590 L594 H595 Q596 I611 I614 I647 L650 I714 L718K588-W592 PolarHBondContact O-N 3.27Å; I589-W592 PolarHBondContact O-N 3.27Å; M590-W592 VanDerWaalsContact C-N 3.29Å; M590-W592 PolarHBondContact O-N 2.99Å; W592-L594 VanDerWaalsContact C-N 3.32Å; W592-L594 PolarHBondContact O-N 3.38Å; W592-H595 PolarHBondContact O-N 2.97Å; W592-Q596 HydrophobicContact CD2-CG 3.89Å; W592-Q596 HydrophobicContact CE3-CG 4.28Å; W592-Q596 HydrophobicContact CG-CG 4.48Å; W592-Q596 HydrophobicContact CH2-CG 3.99Å; W592-Q596 HydrophobicContact CZ2-CG 3.59Å; W592-Q596 HydrophobicContact CZ3-CG 4.32Å; W592-Q596 WeakPolarHBondContact O-CG 3.13Å; W592-Q596 PolarHBondContact O-N 3.06Å; W592-I611 HydrophobicContact CH2-CD1 4.25Å; W592-I611 HydrophobicContact CZ3-CD1 3.9Å; W592-I614 HydrophobicContact CH2-CD1 3.62Å; W592-I614 HydrophobicContact CZ3-CD1 3.84Å; W592-I614 HydrophobicContact CZ3-CG2 4.35Å; W592-I647 HydrophobicContact CZ2-CG2 3.69Å; W592-L650 HydrophobicContact CH2-CD1 4.44Å; W592-L650 HydrophobicContact CH2-CD2 3.74Å; W592-L650 HydrophobicContact CZ2-CD2 4.35Å; W592-I714 HydrophobicContact CH2-CG2 4.17Å; W592-I714 HydrophobicContact CZ2-CG2 4.16Å; W592-I714 HydrophobicContact CZ3-CG2 4.42Å; W592-L718 HydrophobicContact CB-CD1 3.67Å; W592-L718 HydrophobicContact CB-CD2 3.85Å; W592-L718 HydrophobicContact CB-CG 4.4Å; W592-L718 HydrophobicContact CD2-CD1 3.6Å; W592-L718 HydrophobicContact CE3-CD1 3.99Å; W592-L718 HydrophobicContact CG-CD1 3.45Å; W592-L718 VanDerWaalsContact CG-CD1 3.45Å; W592-L718 HydrophobicContact CG-CD2 3.76Å; W592-L718 HydrophobicContact CG-CG 4.25Å
593I96.2Very high93.8Very high1 Ų141.8 Ų41.81%0.00521%0.214CC..Hα-helixtrans-61-41.5176.2-71168.9000111F411 I554 I589 M590 T591 H595 Q596 C597 I611 L615F411-I593 HydrophobicContact CE2-CG2 4.2Å; F411-I593 HydrophobicContact CZ-CG2 4.04Å; I554-I593 HydrophobicContact CD1-CB 4.2Å; I554-I593 HydrophobicContact CD1-CG2 3.64Å; I589-I593 HydrophobicContact CG1-CD1 4.18Å; I589-I593 HydrophobicContact CG1-CG1 4.49Å; I589-I593 VanDerWaalsContact O-CG1 3.25Å; I589-I593 WeakPolarHBondContact O-CG1 3.38Å; I589-I593 PolarHBondContact O-N 2.93Å; M590-I593 HydrophobicContact CE-CD1 4.24Å; M590-I593 PolarHBondContact O-N 3.47Å; T591-I593 PolarHBondContact O-N 3.4Å; I593-H595 PolarHBondContact O-N 3.04Å; I593-Q596 PolarHBondContact O-N 3.27Å; I593-C597 HydrophobicContact CG2-CB 4.49Å; I593-C597 VanDerWaalsContact O-CB 3.27Å; I593-C597 WeakPolarHBondContact O-CB 3.28Å; I593-C597 PolarHBondContact O-N 3.35Å; I593-I611 HydrophobicContact CD1-CG2 4.03Å; I593-I611 HydrophobicContact CG1-CG2 4.25Å; I593-I611 HydrophobicContact CG2-CG2 4.31Å; I593-L615 HydrophobicContact CD1-CD1 4.05Å; I593-L615 HydrophobicContact CD1-CD2 3.36Å; I593-L615 HydrophobicContact CD1-CG 3.74Å
594L96.8Very high93.7Very high3 Ų344.2 Ų44.22%0.01622%0.222CC..Hα-helixtrans-56.7-49.4174.9-73.7170.3000111A551 I554 Y555 L582 M590 T591 W592 Q596 L598A551-L594 WeakPolarHBondContact O-CD2 3.46Å; I554-L594 HydrophobicContact CB-CD2 4.08Å; I554-L594 HydrophobicContact CB-CG 4.47Å; I554-L594 HydrophobicContact CD1-CD2 4.15Å; I554-L594 HydrophobicContact CD1-CG 4.21Å; I554-L594 HydrophobicContact CG2-CD1 4.31Å; I554-L594 HydrophobicContact CG2-CD2 4.45Å; I554-L594 HydrophobicContact CG2-CG 4.34Å; Y555-L594 HydrophobicContact CD2-CD2 4.25Å; Y555-L594 HydrophobicContact CE1-CD1 4.21Å; Y555-L594 HydrophobicContact CE2-CD1 4.24Å; Y555-L594 HydrophobicContact CE2-CD2 3.73Å; L582-L594 HydrophobicContact CD1-CD1 3.66Å; L582-L594 HydrophobicContact CD2-CD1 3.98Å; L582-L594 HydrophobicContact CG-CD1 3.72Å; M590-L594 PolarHBondContact O-N 3.2Å; T591-L594 WeakPolarHBondContact O-CB 3.42Å; T591-L594 PolarHBondContact O-N 2.9Å; W592-L594 VanDerWaalsContact C-N 3.32Å; W592-L594 PolarHBondContact O-N 3.38Å; L594-Q596 VanDerWaalsContact C-N 3.33Å; L594-Q596 PolarHBondContact O-N 3.16Å; L594-L598 HydrophobicContact CB-CD1 4.44Å; L594-L598 HydrophobicContact CD2-CD1 3.65Å; L594-L598 HydrophobicContact CD2-CG 4.37Å; L594-L598 WeakPolarHBondContact O-CB 3.46Å; L594-L598 WeakPolarHBondContact O-CG 2.84Å; L594-L598 PolarHBondContact O-N 3.14Å
595H94.6Very high93.9Very high76 Ų7636.1 Ų36.135%0.35219%0.185SC..Hα-helixtrans-67-27.3178.4-75.9-74.1000114.3T591 W592 I593 K599T591-H595 PolarHBondContact O-CD2 3.37Å; T591-H595 VanDerWaalsContact O-CD2 3.24Å; T591-H595 PolarHBondContact O-N 3.5Å; T591-H595 VanDerWaalsContact O-N 3.11Å; W592-H595 PolarHBondContact O-N 2.97Å; I593-H595 PolarHBondContact O-N 3.04Å; H595-K599 WeakPolarHBondContact O-CG 3.05Å
596Q94.4Very high94Very high22 Ų2233.1 Ų33.110%0.10317%0.171CC..Hα-helixtrans-82.8-41.4176.1-64.3-45.8-51.200113.1W592 I593 L594 P606W592-Q596 HydrophobicContact CD2-CG 3.89Å; W592-Q596 HydrophobicContact CE3-CG 4.28Å; W592-Q596 HydrophobicContact CG-CG 4.48Å; W592-Q596 HydrophobicContact CH2-CG 3.99Å; W592-Q596 HydrophobicContact CZ2-CG 3.59Å; W592-Q596 HydrophobicContact CZ3-CG 4.32Å; W592-Q596 WeakPolarHBondContact O-CG 3.13Å; W592-Q596 PolarHBondContact O-N 3.06Å; I593-Q596 PolarHBondContact O-N 3.27Å; L594-Q596 VanDerWaalsContact C-N 3.33Å; L594-Q596 PolarHBondContact O-N 3.16Å; Q596-P606 HydrophobicContact CB-CG 4.12Å
597C96.6Very high94.1Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-89.9-23.9-172.1-65.70000113.2I547 A551 I593 K599 R605I547-C597 HydrophobicContact CG2-CB 3.78Å; A551-C597 HydrophobicContact CB-CB 3.43Å; A551-C597 VanDerWaalsContact CB-CB 3.43Å; I593-C597 HydrophobicContact CG2-CB 4.49Å; I593-C597 VanDerWaalsContact O-CB 3.27Å; I593-C597 WeakPolarHBondContact O-CB 3.28Å; I593-C597 PolarHBondContact O-N 3.35Å; C597-K599 VanDerWaalsContact C-N 3.32Å; C597-R605 WeakPolarHBondContact O-CD 3.44Å; C597-R605 PolarHBondContact O-NE 2.85Å
598L96.5Very high94.4Very high1 Ų133.4 Ų33.41%0.00517%0.17CC..THydrogen-bonded Turntrans-9422.6175-56.9-179.3000112.9W548 A551 T552 Y555 F564 Y574 L579 L594W548-L598 HydrophobicContact CD2-CD2 4.04Å; W548-L598 HydrophobicContact CG-CD2 4Å; W548-L598 HydrophobicContact CZ2-CD2 4.44Å; A551-L598 HydrophobicContact CB-CD2 3.79Å; A551-L598 HydrophobicContact CB-CG 4.09Å; T552-L598 HydrophobicContact CG2-CD2 3.79Å; Y555-L598 HydrophobicContact CE2-CD1 4.33Å; F564-L598 HydrophobicContact CE2-CD1 4.18Å; Y574-L598 WeakPolarHBondContact CE2-O 3.26Å; Y574-L598 PolarHBondContact OH-O 3.29Å; L579-L598 HydrophobicContact CD1-CB 4.11Å; L579-L598 HydrophobicContact CD1-CD1 4.11Å; L579-L598 HydrophobicContact CD2-CD1 3.83Å; L594-L598 HydrophobicContact CB-CD1 4.44Å; L594-L598 HydrophobicContact CD2-CD1 3.65Å; L594-L598 HydrophobicContact CD2-CG 4.37Å; L594-L598 WeakPolarHBondContact O-CB 3.46Å; L594-L598 WeakPolarHBondContact O-CG 2.84Å; L594-L598 PolarHBondContact O-N 3.14Å
599K95Very high94.6Very high20 Ų2028.8 Ų28.89%0.08715%0.152CC..  trans-64.5139.3166.8-65.9-174.3-173161.80110.7H595 C597 E604 R605H595-K599 WeakPolarHBondContact O-CG 3.05Å; C597-K599 VanDerWaalsContact C-N 3.32Å; K599-E604 HydrophobicContact CB-CB 4.34Å; K599-E604 HydrophobicContact CD-CB 3.39Å; K599-E604 WeakPolarHBondContact CD-O 3.44Å; K599-E604 PolarHBondContact NZ-O 3.48Å; K599-E604 VanDerWaalsContact NZ-O 3.08Å; K599-R605 HydrophobicContact CB-CG 4.29Å; K599-R605 PolarHBondContact O-NE 3.15Å; K599-R605 PolarHBondContact O-NH2 3.01Å
600R94.4Very high94.7Very high64 Ų6429 Ų2924%0.24215%0.153CC..SBendtrans-69.1-38.5179.7-67.31756588.56.6111.3P520 V572 Y574 E576 P602P520-R600 HydrophobicContact CB-CB 4.45Å; P520-R600 HydrophobicContact CB-CG 4.48Å; P520-R600 HydrophobicContact CG-CB 4.2Å; P520-R600 HydrophobicContact CG-CG 4.31Å; V572-R600 PolarHBondContact O-NH1 3.04Å; V572-R600 VanDerWaalsContact O-NH1 3.11Å; V572-R600 PolarHBondContact O-NH2 3.37Å; Y574-R600 HydrophobicContact CE1-CG 3.85Å; Y574-R600 HydrophobicContact CE2-CG 4.16Å; Y574-R600 WeakPolarHBondContact O-CD 3.41Å; Y574-R600 PolarHBondContact O-NH1 3.06Å; E576-R600 HydrophobicContact CG-CG 4.1Å; E576-R600 WeakPolarHBondContact OE1-CB 3.34Å; E576-R600 WeakPolarHBondContact OE1-CG 3.07Å; E576-R600 PolarHBondContact OE1-N 3.47Å; R600-P602 VanDerWaalsContact O-CD 3.31Å; R600-P602 WeakPolarHBondContact O-CD 3.32Å
601N92.6Very high94.7Very high63 Ų6329 Ų2934%0.33715%0.153SC..SBendtrans-78.4112.6173.8-176.62.6000110.4S603 E604N601-S603 VanDerWaalsContact CG-OG 3.29Å; N601-S603 PolarHBondContact ND2-OG 3.41Å; N601-S603 PolarHBondContact O-N 2.78Å; N601-S603 VanDerWaalsContact O-N 3.14Å; N601-S603 PolarHBondContact OD1-N 2.83Å; N601-S603 PolarHBondContact OD1-OG 3.13Å; N601-E604 HydrophobicContact CB-CB 4.47Å; N601-E604 HydrophobicContact CB-CG 4.05Å; N601-E604 WeakPolarHBondContact CB-OE1 3.48Å; N601-E604 PolarHBondContact ND2-OE1 3.15Å; N601-E604 PolarHBondContact O-N 2.96Å; N601-E604 VanDerWaalsContact O-N 3.09Å
602P93.1Very high94.8Very high34 Ų3426.6 Ų26.622%0.22114%0.138CC..G310 helixtrans-63.2-22-177.926.6-36.1000113.3E521 H544 R600 E604 R605E521-P602 HydrophobicContact CB-CG 4.1Å; E521-P602 HydrophobicContact CG-CB 4.34Å; E521-P602 HydrophobicContact CG-CG 4Å; H544-P602 HydrophobicContact CB-CB 4.25Å; H544-P602 PolarHBondContact CD2-O 2.64Å; R600-P602 VanDerWaalsContact O-CD 3.31Å; R600-P602 WeakPolarHBondContact O-CD 3.32Å; P602-E604 VanDerWaalsContact C-N 3.25Å; P602-E604 PolarHBondContact O-N 2.97Å; P602-R605 PolarHBondContact O-N 2.71Å
603S91.5Very high94.8Very high93 Ų9325.7 Ų25.765%0.6514%0.135SC*.G310 helixtrans-74.1-16177.667.50000114.1N601N601-S603 VanDerWaalsContact CG-OG 3.29Å; N601-S603 PolarHBondContact ND2-OG 3.41Å; N601-S603 PolarHBondContact O-N 2.78Å; N601-S603 VanDerWaalsContact O-N 3.14Å; N601-S603 PolarHBondContact OD1-N 2.83Å; N601-S603 PolarHBondContact OD1-OG 3.13Å
604E91.7Very high94.7Very high86 Ų8625.7 Ų25.740%0.40213%0.134SC..G310 helixtrans-93.2-8.1179.1-64.1170.9-155.600112.6K599 N601 P602K599-E604 HydrophobicContact CB-CB 4.34Å; K599-E604 HydrophobicContact CD-CB 3.39Å; K599-E604 WeakPolarHBondContact CD-O 3.44Å; K599-E604 PolarHBondContact NZ-O 3.48Å; K599-E604 VanDerWaalsContact NZ-O 3.08Å; N601-E604 HydrophobicContact CB-CB 4.47Å; N601-E604 HydrophobicContact CB-CG 4.05Å; N601-E604 WeakPolarHBondContact CB-OE1 3.48Å; N601-E604 PolarHBondContact ND2-OE1 3.15Å; N601-E604 PolarHBondContact O-N 2.96Å; N601-E604 VanDerWaalsContact O-N 3.09Å; P602-E604 VanDerWaalsContact C-N 3.25Å; P602-E604 PolarHBondContact O-N 2.97Å
605R94.6Very high94.7Very high2 Ų225.5 Ų25.51%0.00813%0.134CC..SBendtrans-75138.9172.9-59.4-179.6-164.914312109.4E521 H544 C597 K599 P602E521-R605 IonicContact OE1-CZ 3.33Å; E521-R605 IonicContact OE1-NH1 3.01Å; E521-R605 PolarHBondContact OE1-NH1 3.31Å; E521-R605 IonicContact OE1-NH2 3.37Å; E521-R605 IonicContact OE2-CZ 2.68Å; E521-R605 IonicContact OE2-NH1 3.35Å; E521-R605 PolarHBondContact OE2-NH1 3.42Å; E521-R605 IonicContact OE2-NH2 2.76Å; E521-R605 PolarHBondContact OE2-NH2 3.38Å; H544-R605 PolarHBondContact O-NH1 2.9Å; C597-R605 WeakPolarHBondContact O-CD 3.44Å; C597-R605 PolarHBondContact O-NE 2.85Å; K599-R605 HydrophobicContact CB-CG 4.29Å; K599-R605 PolarHBondContact O-NE 3.15Å; K599-R605 PolarHBondContact O-NH2 3.01Å; P602-R605 PolarHBondContact O-N 2.71Å
606P93.5Very high94.6Very high2 Ų221.9 Ų21.91%0.01312%0.117CC..PPolyproline II helixtrans-69.5165.3171.228.8-32.5000111.5I547 Q596 I611 L650I547-P606 WeakPolarHBondContact CD1-O 3.33Å; Q596-P606 HydrophobicContact CB-CG 4.12Å; P606-I611 HydrophobicContact CB-CD1 4.22Å; P606-I611 HydrophobicContact CB-CG1 4.34Å; P606-I611 HydrophobicContact CG-CD1 3.49Å; P606-I611 VanDerWaalsContact CG-CD1 3.49Å; P606-I611 HydrophobicContact CG-CG1 3.74Å; P606-L650 HydrophobicContact CB-CB 4.29Å; P606-L650 HydrophobicContact CB-CD2 3.49Å; P606-L650 VanDerWaalsContact CB-CD2 3.49Å; P606-L650 HydrophobicContact CB-CG 4.36Å; P606-L650 HydrophobicContact CG-CD2 4.09Å
607N94.6Very high94.4Very high31 Ų3120.9 Ų20.917%0.16611%0.112CC..PPolyproline II helixtrans-73.4153.8172.7-57-57.9000110.6D609 E610 I611 T651N607-D609 VanDerWaalsContact C-N 3.29Å; N607-D609 WeakPolarHBondContact CB-OD1 3.44Å; N607-D609 PolarHBondContact O-N 2.88Å; N607-E610 HydrophobicContact CB-CG 4.12Å; N607-E610 PolarHBondContact N-OE2 3.48Å; N607-E610 PolarHBondContact ND2-OE1 3.42Å; N607-E610 WeakPolarHBondContact O-CB 3.32Å; N607-E610 PolarHBondContact O-N 2.83Å; N607-I611 PolarHBondContact O-N 3.34Å; N607-T651 WeakPolarHBondContact ND2-CG2 3.34Å
608A96.7Very high94.1Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-65.9-31.1-175.800000113.2F411 V414 A415 E418 I547 E610 I611 A612F411-A608 HydrophobicContact CD1-CB 4.17Å; V414-A608 HydrophobicContact CB-CB 4.13Å; V414-A608 HydrophobicContact CG1-CB 3.74Å; A415-A608 HydrophobicContact CB-CB 4.03Å; E418-A608 WeakPolarHBondContact OE2-CB 3.47Å; E418-A608 PolarHBondContact OE2-N 2.87Å; I547-A608 HydrophobicContact CD1-CB 3.98Å; I547-A608 HydrophobicContact CG1-CB 4Å; A608-E610 VanDerWaalsContact C-N 3.29Å; A608-E610 PolarHBondContact O-N 2.82Å; A608-I611 PolarHBondContact O-N 2.88Å; A608-A612 WeakPolarHBondContact O-CB 3.19Å; A608-A612 PolarHBondContact O-N 2.94Å
609D95.1Very high93.7Very high36 Ų3622 Ų2219%0.19312%0.118CC..Hα-helixtrans-67.8-30.6177.173.3-56.9000112.5A415 N607 D613 R707A415-D609 HydrophobicContact CB-CB 3.83Å; N607-D609 VanDerWaalsContact C-N 3.29Å; N607-D609 WeakPolarHBondContact CB-OD1 3.44Å; N607-D609 PolarHBondContact O-N 2.88Å; D609-D613 WeakPolarHBondContact O-CB 3.38Å; D609-D613 VanDerWaalsContact O-CG 3.27Å; D609-D613 PolarHBondContact O-N 2.93Å; D609-R707 IonicContact OD2-CZ 3.13Å; D609-R707 IonicContact OD2-NH1 2.85Å; D609-R707 IonicContact OD2-NH2 2.66Å; D609-R707 PolarHBondContact OD2-NH2 3.15Å
610E94.9Very high93Very high5 Ų521.3 Ų21.32%0.02312%0.116CC..Hα-helixtrans-69.3-45.3177.1-62.2168.6172.900110.2N607 A608 D613 I614 L650 T651 F654N607-E610 HydrophobicContact CB-CG 4.12Å; N607-E610 PolarHBondContact N-OE2 3.48Å; N607-E610 PolarHBondContact ND2-OE1 3.42Å; N607-E610 WeakPolarHBondContact O-CB 3.32Å; N607-E610 PolarHBondContact O-N 2.83Å; A608-E610 VanDerWaalsContact C-N 3.29Å; A608-E610 PolarHBondContact O-N 2.82Å; E610-D613 PolarHBondContact O-N 3.29Å; E610-I614 WeakPolarHBondContact O-CG1 3.33Å; E610-I614 PolarHBondContact O-N 3.5Å; E610-I614 VanDerWaalsContact O-N 3.12Å; E610-L650 HydrophobicContact CB-CD2 4.43Å; E610-T651 WeakPolarHBondContact OE1-CA 3.42Å; E610-T651 PolarHBondContact OE2-OG1 3.18Å; E610-F654 HydrophobicContact CB-CD2 3.72Å; E610-F654 HydrophobicContact CB-CE1 4.39Å; E610-F654 HydrophobicContact CB-CE2 3.56Å; E610-F654 HydrophobicContact CB-CG 4.21Å; E610-F654 HydrophobicContact CB-CZ 3.91Å; E610-F654 HydrophobicContact CG-CB 3.99Å; E610-F654 HydrophobicContact CG-CD1 4.02Å; E610-F654 HydrophobicContact CG-CD2 3.52Å; E610-F654 HydrophobicContact CG-CE1 4.35Å; E610-F654 HydrophobicContact CG-CE2 3.91Å; E610-F654 HydrophobicContact CG-CG 3.58Å; E610-F654 HydrophobicContact CG-CZ 4.29Å; E610-F654 WeakPolarHBondContact OE1-CB 3.5Å
611I97Very high92.3Very high0 Ų019.3 Ų19.30%011%0.109CC..Hα-helixtrans-64.4-44.1174.3-62.1-58.5000111.4F411 W592 I593 P606 N607 A608 D613 I614 L615 L650F411-I611 HydrophobicContact CB-CG2 4.44Å; F411-I611 HydrophobicContact CD1-CB 3.78Å; F411-I611 HydrophobicContact CD1-CG1 4.44Å; F411-I611 HydrophobicContact CD1-CG2 3.65Å; F411-I611 HydrophobicContact CD2-CG2 3.65Å; F411-I611 HydrophobicContact CE1-CB 3.98Å; F411-I611 HydrophobicContact CE1-CG1 4.22Å; F411-I611 HydrophobicContact CE1-CG2 3.68Å; F411-I611 HydrophobicContact CE2-CG2 3.67Å; F411-I611 HydrophobicContact CG-CB 4.12Å; F411-I611 HydrophobicContact CG-CG2 3.64Å; F411-I611 HydrophobicContact CZ-CB 4.48Å; F411-I611 HydrophobicContact CZ-CG2 3.7Å; W592-I611 HydrophobicContact CH2-CD1 4.25Å; W592-I611 HydrophobicContact CZ3-CD1 3.9Å; I593-I611 HydrophobicContact CD1-CG2 4.03Å; I593-I611 HydrophobicContact CG1-CG2 4.25Å; I593-I611 HydrophobicContact CG2-CG2 4.31Å; P606-I611 HydrophobicContact CB-CD1 4.22Å; P606-I611 HydrophobicContact CB-CG1 4.34Å; P606-I611 HydrophobicContact CG-CD1 3.49Å; P606-I611 VanDerWaalsContact CG-CD1 3.49Å; P606-I611 HydrophobicContact CG-CG1 3.74Å; N607-I611 PolarHBondContact O-N 3.34Å; A608-I611 PolarHBondContact O-N 2.88Å; I611-D613 VanDerWaalsContact C-N 3.3Å; I611-D613 PolarHBondContact O-N 2.81Å; I611-I614 PolarHBondContact O-N 2.91Å; I611-L615 HydrophobicContact CG2-CD1 3.8Å; I611-L615 HydrophobicContact CG2-CG 4.29Å; I611-L615 WeakPolarHBondContact O-CB 2.99Å; I611-L615 WeakPolarHBondContact O-CG 3.24Å; I611-L615 PolarHBondContact O-N 2.8Å; I611-L650 HydrophobicContact CD1-CD2 4.44Å
612A96.7Very high91.5Very high0 Ų018.5 Ų18.50%010%0.102CC..Hα-helixtrans-57.2-43.1175.900000111.8F411 E412 A608 L615 H616F411-A612 HydrophobicContact CB-CB 4Å; E412-A612 HydrophobicContact CG-CB 4.02Å; A608-A612 WeakPolarHBondContact O-CB 3.19Å; A608-A612 PolarHBondContact O-N 2.94Å; A612-L615 PolarHBondContact O-N 3.31Å; A612-H616 WeakPolarHBondContact O-CB 3.37Å; A612-H616 PolarHBondContact O-CD2 2.7Å; A612-H616 PolarHBondContact O-N 2.78Å
613D94.6Very high90.4Very high1 Ų118 Ų181%0.00510%0.097CC..Hα-helixtrans-65.6-38.6178.6-76.72.7000112.9D609 E610 I611 T617 F699 R702 R707D609-D613 WeakPolarHBondContact O-CB 3.38Å; D609-D613 VanDerWaalsContact O-CG 3.27Å; D609-D613 PolarHBondContact O-N 2.93Å; E610-D613 PolarHBondContact O-N 3.29Å; I611-D613 VanDerWaalsContact C-N 3.3Å; I611-D613 PolarHBondContact O-N 2.81Å; D613-T617 WeakPolarHBondContact O-CB 3.41Å; D613-T617 PolarHBondContact O-N 3.16Å; D613-T617 PolarHBondContact O-OG1 3.35Å; D613-F699 HydrophobicContact CB-CD2 4.1Å; D613-F699 HydrophobicContact CB-CE2 4.22Å; D613-R702 IonicContact OD1-CZ 3.44Å; D613-R702 IonicContact OD1-NE 3.57Å; D613-R702 PolarHBondContact OD1-NE 3.42Å; D613-R702 VanDerWaalsContact OD1-NE 3.08Å; D613-R702 IonicContact OD1-NH2 2.71Å; D613-R702 PolarHBondContact OD1-NH2 3.36Å; D613-R702 IonicContact OD2-NE 3.62Å; D613-R707 IonicContact OD2-CZ 3.72Å; D613-R707 IonicContact OD2-NE 3.53Å; D613-R707 PolarHBondContact OD2-NE 3.01Å; D613-R707 IonicContact OD2-NH2 3.62Å; D613-R707 PolarHBondContact OD2-NH2 2.94Å
614I94.4Very high89.1Confident0 Ų013.8 Ų13.80%07%0.066CC..Hα-helixtrans-65.8-46.1176.6-68.1164000110.2I589 W592 E610 I611 H616 T617 W618 L650 F654 C711 I714 V715I589-I614 HydrophobicContact CD1-CG2 3.34Å; I589-I614 HydrophobicContact CG1-CG2 4.21Å; W592-I614 HydrophobicContact CH2-CD1 3.62Å; W592-I614 HydrophobicContact CZ3-CD1 3.84Å; W592-I614 HydrophobicContact CZ3-CG2 4.35Å; E610-I614 WeakPolarHBondContact O-CG1 3.33Å; E610-I614 PolarHBondContact O-N 3.5Å; E610-I614 VanDerWaalsContact O-N 3.12Å; I611-I614 PolarHBondContact O-N 2.91Å; I614-H616 PolarHBondContact O-N 3.27Å; I614-T617 WeakPolarHBondContact O-CB 3.44Å; I614-T617 PolarHBondContact O-N 3.39Å; I614-W618 PolarHBondContact O-N 2.99Å; I614-L650 HydrophobicContact CD1-CD1 4.41Å; I614-L650 HydrophobicContact CD1-CD2 3.89Å; I614-F654 HydrophobicContact CD1-CE2 4.18Å; I614-F654 HydrophobicContact CD1-CZ 4.29Å; I614-F654 HydrophobicContact CG1-CZ 4.2Å; I614-C711 HydrophobicContact CG1-CB 4.33Å; I614-I714 HydrophobicContact CD1-CD1 3.74Å; I614-I714 HydrophobicContact CD1-CG2 4.42Å; I614-I714 HydrophobicContact CG1-CD1 4.21Å; I614-I714 HydrophobicContact CG2-CG2 4.16Å; I614-V715 HydrophobicContact CG2-CG2 4.15Å
615L95.6Very high87.8Confident0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-61.7-44.4176.8-72.2170.4000112.4V404 I407 A408 F411 M590 I593 I611 A612 T617 W618 C619V404-L615 HydrophobicContact CG1-CD2 3.91Å; I407-L615 HydrophobicContact CB-CD1 4.47Å; I407-L615 HydrophobicContact CG2-CD1 3.76Å; A408-L615 HydrophobicContact CB-CB 3.77Å; A408-L615 HydrophobicContact CB-CD1 4.2Å; F411-L615 HydrophobicContact CD2-CD1 3.74Å; F411-L615 HydrophobicContact CE2-CD1 4.33Å; F411-L615 HydrophobicContact CG-CD1 4.46Å; M590-L615 HydrophobicContact CE-CD2 3.36Å; I593-L615 HydrophobicContact CD1-CD1 4.05Å; I593-L615 HydrophobicContact CD1-CD2 3.36Å; I593-L615 HydrophobicContact CD1-CG 3.74Å; I611-L615 HydrophobicContact CG2-CD1 3.8Å; I611-L615 HydrophobicContact CG2-CG 4.29Å; I611-L615 WeakPolarHBondContact O-CB 2.99Å; I611-L615 WeakPolarHBondContact O-CG 3.24Å; I611-L615 PolarHBondContact O-N 2.8Å; A612-L615 PolarHBondContact O-N 3.31Å; L615-T617 VanDerWaalsContact C-N 3.3Å; L615-T617 PolarHBondContact O-N 2.82Å; L615-W618 WeakPolarHBondContact O-CB 3.16Å; L615-W618 PolarHBondContact O-N 3.47Å; L615-C619 PolarHBondContact O-N 3.47Å; L615-C619 PolarHBondContact O-SG 3.18Å; L615-C619 VanDerWaalsContact O-SG 3.35Å
616H92.8Very high86.1Confident0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-65.2-34.5175.6-75.6-43000112.5A408 E412 A612 I614 C619 L620 V695 R696 F699A408-H616 VanDerWaalsContact CB-CE1 3.49Å; A408-H616 WeakPolarHBondContact CB-CE1 3.47Å; E412-H616 IonicContact OE1-CD2 3.58Å; E412-H616 PolarHBondContact OE1-CD2 3.26Å; E412-H616 IonicContact OE1-NE2 3.37Å; E412-H616 PolarHBondContact OE1-NE2 2.78Å; A612-H616 WeakPolarHBondContact O-CB 3.37Å; A612-H616 PolarHBondContact O-CD2 2.7Å; A612-H616 PolarHBondContact O-N 2.78Å; I614-H616 PolarHBondContact O-N 3.27Å; H616-C619 PolarHBondContact O-N 3.16Å; H616-L620 VanDerWaalsContact O-CG 3.32Å; H616-L620 WeakPolarHBondContact O-CG 3.41Å; H616-L620 PolarHBondContact O-N 3.34Å; H616-V695 PolarHBondContact CE1-O 2.99Å; H616-R696 HydrophobicContact CB-CG 4.12Å; H616-R696 WeakPolarHBondContact ND1-CG 3.1Å; H616-F699 HydrophobicContact CB-CB 4.01Å; H616-F699 HydrophobicContact CB-CD1 4.39Å; H616-F699 HydrophobicContact CB-CD2 3.72Å; H616-F699 HydrophobicContact CB-CE2 4.25Å; H616-F699 HydrophobicContact CB-CG 3.77Å
617T90.2Very high84.4Confident1 Ų118.2 Ų18.21%0.0069%0.09CC..Hα-helixtrans-65.8-40.9172.9-58.20000111.5D613 I614 L615 L620 I621 L708 C711 L712 V715D613-T617 WeakPolarHBondContact O-CB 3.41Å; D613-T617 PolarHBondContact O-N 3.16Å; D613-T617 PolarHBondContact O-OG1 3.35Å; I614-T617 WeakPolarHBondContact O-CB 3.44Å; I614-T617 PolarHBondContact O-N 3.39Å; L615-T617 VanDerWaalsContact C-N 3.3Å; L615-T617 PolarHBondContact O-N 2.82Å; T617-L620 WeakPolarHBondContact O-CB 3.48Å; T617-L620 PolarHBondContact O-N 2.77Å; T617-I621 HydrophobicContact CG2-CD1 4.09Å; T617-I621 WeakPolarHBondContact O-CG1 3.36Å; T617-I621 PolarHBondContact O-N 2.74Å; T617-L708 HydrophobicContact CG2-CD1 4.17Å; T617-C711 HydrophobicContact CG2-CB 3.84Å; T617-C711 WeakPolarHBondContact OG1-CB 3.19Å; T617-L712 HydrophobicContact CG2-CD2 3.7Å; T617-L712 HydrophobicContact CG2-CG 4.14Å; T617-V715 HydrophobicContact CG2-CG2 4.24Å
618W90.9Very high82.4Confident8 Ų824.8 Ų24.83%0.0312%0.119CC..Hα-helixtrans-59.8-47.3172.4-176.599.1000111.5V400 E401 V404 P587 I589 I614 L615 L620 I621 R622 V715 E719V400-W618 HydrophobicContact CG1-CH2 4.29Å; E401-W618 HydrophobicContact CB-CZ3 4.46Å; E401-W618 HydrophobicContact CG-CH2 4.02Å; E401-W618 HydrophobicContact CG-CZ3 4.11Å; V404-W618 HydrophobicContact CB-CE3 4.02Å; V404-W618 HydrophobicContact CB-CH2 4.45Å; V404-W618 HydrophobicContact CB-CZ3 3.74Å; V404-W618 HydrophobicContact CG1-CD2 4.24Å; V404-W618 HydrophobicContact CG1-CE3 3.49Å; V404-W618 VanDerWaalsContact CG1-CE3 3.49Å; V404-W618 HydrophobicContact CG1-CZ3 3.77Å; V404-W618 HydrophobicContact CG2-CE3 4.14Å; V404-W618 HydrophobicContact CG2-CH2 3.95Å; V404-W618 HydrophobicContact CG2-CZ3 3.72Å; P587-W618 HydrophobicContact CB-CZ2 3.82Å; P587-W618 HydrophobicContact CG-CH2 3.99Å; P587-W618 HydrophobicContact CG-CZ2 3.4Å; P587-W618 VanDerWaalsContact CG-CZ2 3.4Å; I589-W618 HydrophobicContact CD1-CB 3.95Å; I589-W618 HydrophobicContact CD1-CG 4.27Å; I589-W618 HydrophobicContact CG2-CG 4.08Å; I614-W618 PolarHBondContact O-N 2.99Å; L615-W618 WeakPolarHBondContact O-CB 3.16Å; L615-W618 PolarHBondContact O-N 3.47Å; W618-L620 VanDerWaalsContact C-N 3.27Å; W618-L620 PolarHBondContact O-N 3.19Å; W618-I621 PolarHBondContact O-N 2.92Å; W618-R622 HydrophobicContact CE3-CB 4.36Å; W618-R622 HydrophobicContact CH2-CB 4.36Å; W618-R622 HydrophobicContact CH2-CG 4.05Å; W618-R622 HydrophobicContact CZ2-CG 4.46Å; W618-R622 HydrophobicContact CZ3-CB 4.22Å; W618-R622 HydrophobicContact CZ3-CG 4.27Å; W618-R622 WeakPolarHBondContact O-CB 3.33Å; W618-R622 PolarHBondContact O-N 2.64Å; W618-V715 HydrophobicContact CB-CG1 4.28Å; W618-V715 HydrophobicContact CB-CG2 4.12Å; W618-V715 HydrophobicContact CG-CG1 4.45Å; W618-E719 VanDerWaalsContact NE1-CD 3.26Å; W618-E719 PolarHBondContact NE1-OE2 3.32Å
619C87.1Confident80.3Confident15 Ų1526.9 Ų26.910%0.10113%0.129CC..Hα-helixtrans-58.6-39.7176.5-67.70000111.9L615 H616 H623L615-C619 PolarHBondContact O-N 3.47Å; L615-C619 PolarHBondContact O-SG 3.18Å; L615-C619 VanDerWaalsContact O-SG 3.35Å; H616-C619 PolarHBondContact O-N 3.16Å; C619-H623 WeakPolarHBondContact O-CB 3.46Å; C619-H623 PolarHBondContact O-N 3.23Å; C619-H623 VanDerWaalsContact O-N 3.07Å
620L81.3Confident78.1Confident6 Ų626.8 Ų26.83%0.03113%0.13CC..Hα-helixtrans-63.2-55.6176-74.4172.3000110.9H616 T617 W618 R622 H623 F624 C679 D683 F699H616-L620 VanDerWaalsContact O-CG 3.32Å; H616-L620 WeakPolarHBondContact O-CG 3.41Å; H616-L620 PolarHBondContact O-N 3.34Å; T617-L620 WeakPolarHBondContact O-CB 3.48Å; T617-L620 PolarHBondContact O-N 2.77Å; W618-L620 VanDerWaalsContact C-N 3.27Å; W618-L620 PolarHBondContact O-N 3.19Å; L620-R622 VanDerWaalsContact C-N 3.3Å; L620-R622 PolarHBondContact O-N 3.41Å; L620-H623 WeakPolarHBondContact O-CA 3.13Å; L620-H623 VanDerWaalsContact O-CB 3.28Å; L620-H623 WeakPolarHBondContact O-CB 3.46Å; L620-H623 PolarHBondContact O-N 3.01Å; L620-F624 HydrophobicContact CB-CE2 4.38Å; L620-F624 WeakPolarHBondContact O-CD2 3.18Å; L620-F624 PolarHBondContact O-N 2.83Å; L620-C679 HydrophobicContact CD1-CB 4.31Å; L620-C679 HydrophobicContact CD2-CB 4.13Å; L620-D683 WeakPolarHBondContact CD2-OD2 3.32Å; L620-F699 HydrophobicContact CD1-CD1 4.4Å; L620-F699 HydrophobicContact CD1-CE1 3.55Å; L620-F699 HydrophobicContact CD1-CZ 3.95Å
621I78.6Confident76Confident22 Ų2232 Ų3211%0.11316%0.158CC..Hα-helixtrans-55.1-47.2-179.8-70.9164.3000111T617 W618 H623 F624 H625 F633 L712 V715 F721T617-I621 HydrophobicContact CG2-CD1 4.09Å; T617-I621 WeakPolarHBondContact O-CG1 3.36Å; T617-I621 PolarHBondContact O-N 2.74Å; W618-I621 PolarHBondContact O-N 2.92Å; I621-H623 PolarHBondContact O-N 3.31Å; I621-F624 PolarHBondContact O-N 2.84Å; I621-F624 VanDerWaalsContact O-N 3.14Å; I621-H625 PolarHBondContact O-N 3.37Å; I621-F633 HydrophobicContact CD1-CE1 4.47Å; I621-F633 HydrophobicContact CG1-CD1 4.3Å; I621-F633 HydrophobicContact CG1-CE1 3.66Å; I621-F633 HydrophobicContact CG1-CZ 3.9Å; I621-L712 HydrophobicContact CD1-CD2 3.7Å; I621-L712 HydrophobicContact CG1-CD2 4.05Å; I621-V715 HydrophobicContact CD1-CB 3.83Å; I621-V715 HydrophobicContact CD1-CG1 3.43Å; I621-V715 VanDerWaalsContact CD1-CG1 3.43Å; I621-F721 HydrophobicContact CG2-CE2 4.44Å
622R76.7Confident73.8Confident46 Ų4634.7 Ų34.717%0.17417%0.171CC..Hα-helixtrans-58.8-41178.9-173.261.3175.9178-0.4111.1N387 E401 W618 L620 H625 T626N387-R622 PolarHBondContact O-NH2 3.23Å; E401-R622 HydrophobicContact CG-CG 3.74Å; E401-R622 IonicContact OE1-CZ 3.32Å; E401-R622 IonicContact OE1-NE 3.58Å; E401-R622 PolarHBondContact OE1-NE 2.9Å; E401-R622 IonicContact OE1-NH2 2.72Å; E401-R622 PolarHBondContact OE1-NH2 3.01Å; W618-R622 HydrophobicContact CE3-CB 4.36Å; W618-R622 HydrophobicContact CH2-CB 4.36Å; W618-R622 HydrophobicContact CH2-CG 4.05Å; W618-R622 HydrophobicContact CZ2-CG 4.46Å; W618-R622 HydrophobicContact CZ3-CB 4.22Å; W618-R622 HydrophobicContact CZ3-CG 4.27Å; W618-R622 WeakPolarHBondContact O-CB 3.33Å; W618-R622 PolarHBondContact O-N 2.64Å; L620-R622 VanDerWaalsContact C-N 3.3Å; L620-R622 PolarHBondContact O-N 3.41Å; R622-H625 PolarHBondContact O-N 3.29Å; R622-T626 WeakPolarHBondContact O-CG2 3.37Å; R622-T626 PolarHBondContact O-N 3.22Å; R622-T626 VanDerWaalsContact O-N 3.12Å
623H69.3Low71.7Confident25 Ų2536.2 Ų36.212%0.11618%0.178CC..Hα-helixtrans-61-45.8175.4-175.353.1000113T473 C619 L620 I621 H625 T626 R627T473-H623 WeakPolarHBondContact CG2-CE1 3.34Å; T473-H623 VanDerWaalsContact CG2-ND1 3.32Å; T473-H623 WeakPolarHBondContact CG2-ND1 3.32Å; T473-H623 VanDerWaalsContact CG2-NE2 3.28Å; T473-H623 WeakPolarHBondContact CG2-NE2 3.13Å; C619-H623 WeakPolarHBondContact O-CB 3.46Å; C619-H623 PolarHBondContact O-N 3.23Å; C619-H623 VanDerWaalsContact O-N 3.07Å; L620-H623 WeakPolarHBondContact O-CA 3.13Å; L620-H623 VanDerWaalsContact O-CB 3.28Å; L620-H623 WeakPolarHBondContact O-CB 3.46Å; L620-H623 PolarHBondContact O-N 3.01Å; I621-H623 PolarHBondContact O-N 3.31Å; H623-H625 VanDerWaalsContact C-N 3.34Å; H623-H625 PolarHBondContact O-N 2.92Å; H623-T626 PolarHBondContact O-N 3.3Å; H623-T626 PolarHBondContact O-OG1 2.79Å; H623-R627 PolarHBondContact CE1-NE 2.79Å; H623-R627 PolarHBondContact CE1-NH2 3.44Å; H623-R627 VanDerWaalsContact CE1-NH2 3.31Å; H623-R627 PolarHBondContact NE2-NE 3.24Å; H623-R627 PolarHBondContact NE2-NH2 3.04Å; H623-R627 VanDerWaalsContact NE2-NH2 3.15Å; H623-R627 PolarHBondContact O-N 3.33Å
624F65.2Low69.8Low3 Ų339.1 Ų39.11%0.01319%0.191CC..Hα-helixtrans-62.3-40.2176.3-73.7-86.2000112.7Y13 L620 I621 T626 R627 Q628 E629 I632 F633 L675 V678 C679Y13-F624 HydrophobicContact CE1-CE1 4.47Å; Y13-F624 HydrophobicContact CE2-CD1 4.17Å; Y13-F624 AromaticContact CE2-CE1 3.63Å; Y13-F624 HydrophobicContact CE2-CE1 3.63Å; Y13-F624 AromaticContact CZ-CD1 3.92Å; Y13-F624 AromaticContact CZ-CE1 3.4Å; Y13-F624 WeakPolarHBondContact OH-CD1 3.3Å; Y13-F624 WeakPolarHBondContact OH-CE1 3.23Å; L620-F624 HydrophobicContact CB-CE2 4.38Å; L620-F624 WeakPolarHBondContact O-CD2 3.18Å; L620-F624 PolarHBondContact O-N 2.83Å; I621-F624 PolarHBondContact O-N 2.84Å; I621-F624 VanDerWaalsContact O-N 3.14Å; F624-T626 VanDerWaalsContact C-N 3.34Å; F624-T626 PolarHBondContact O-N 3.19Å; F624-R627 PolarHBondContact O-N 3.01Å; F624-Q628 PolarHBondContact O-N 3.19Å; F624-E629 HydrophobicContact CD1-CB 4.33Å; F624-E629 PolarHBondContact O-N 3.39Å; F624-I632 HydrophobicContact CD1-CD1 4.37Å; F624-I632 HydrophobicContact CE1-CD1 4.16Å; F624-F633 HydrophobicContact CB-CD2 4.26Å; F624-F633 HydrophobicContact CB-CE2 3.47Å; F624-F633 VanDerWaalsContact CB-CE2 3.47Å; F624-F633 HydrophobicContact CB-CZ 4.32Å; F624-F633 HydrophobicContact CD1-CE2 4.05Å; F624-F633 AromaticContact CD2-CE2 3.53Å; F624-F633 HydrophobicContact CD2-CE2 3.53Å; F624-F633 AromaticContact CD2-CZ 3.54Å; F624-F633 HydrophobicContact CD2-CZ 3.54Å; F624-F633 HydrophobicContact CE2-CE2 4.3Å; F624-F633 HydrophobicContact CE2-CZ 4.01Å; F624-F633 AromaticContact CG-CE2 3.46Å; F624-F633 HydrophobicContact CG-CE2 3.46Å; F624-F633 VanDerWaalsContact CG-CE2 3.46Å; F624-F633 AromaticContact CG-CZ 3.99Å; F624-F633 HydrophobicContact CG-CZ 3.99Å; F624-L675 HydrophobicContact CE1-CD1 4.49Å; F624-L675 HydrophobicContact CE2-CD1 4.44Å; F624-L675 HydrophobicContact CZ-CD1 4.02Å; F624-V678 HydrophobicContact CE1-CG1 4.43Å; F624-C679 WeakPolarHBondContact CE2-SG 3.38Å; F624-C679 HydrophobicContact CZ-CB 4.48Å; F624-C679 WeakPolarHBondContact CZ-SG 3.42Å
625H64.4Low67.7Low73 Ų7342.6 Ų42.634%0.33821%0.209SC..Hα-helixtrans-60-44177.4-171.3-86.3000111.4I621 R622 H623 R627 Q628I621-H625 PolarHBondContact O-N 3.37Å; R622-H625 PolarHBondContact O-N 3.29Å; H623-H625 VanDerWaalsContact C-N 3.34Å; H623-H625 PolarHBondContact O-N 2.92Å; H625-R627 PolarHBondContact O-N 3.49Å; H625-R627 VanDerWaalsContact O-N 3.09Å; H625-Q628 PolarHBondContact O-N 3.23Å; H625-Q628 VanDerWaalsContact O-N 3.1Å
626T59Low65.7Low65 Ų6543.9 Ų43.940%0.39922%0.215SC..Hα-helixtrans-64.9-12.717763.70000114.6R622 H623 F624R622-T626 WeakPolarHBondContact O-CG2 3.37Å; R622-T626 PolarHBondContact O-N 3.22Å; R622-T626 VanDerWaalsContact O-N 3.12Å; H623-T626 PolarHBondContact O-N 3.3Å; H623-T626 PolarHBondContact O-OG1 2.79Å; F624-T626 VanDerWaalsContact C-N 3.34Å; F624-T626 PolarHBondContact O-N 3.19Å
627R56.8Low63.6Low46 Ų4646.6 Ų46.617%0.17423%0.234CC..THydrogen-bonded Turntrans-100.82.6177.2-69.1-171170-1756.5114.1H623 F624 H625 E629H623-R627 PolarHBondContact CE1-NE 2.79Å; H623-R627 PolarHBondContact CE1-NH2 3.44Å; H623-R627 VanDerWaalsContact CE1-NH2 3.31Å; H623-R627 PolarHBondContact NE2-NE 3.24Å; H623-R627 PolarHBondContact NE2-NH2 3.04Å; H623-R627 VanDerWaalsContact NE2-NH2 3.15Å; H623-R627 PolarHBondContact O-N 3.33Å; F624-R627 PolarHBondContact O-N 3.01Å; H625-R627 PolarHBondContact O-N 3.49Å; H625-R627 VanDerWaalsContact O-N 3.09Å; R627-E629 HydrophobicContact CB-CB 4.49Å; R627-E629 HydrophobicContact CB-CG 4.13Å; R627-E629 PolarHBondContact O-N 2.7Å
628Q53.7Low61.7Low168 Ų16854 Ų5479%0.78527%0.268SS*.THydrogen-bonded Turntrans5629.2-172.4-60.1178-12.500112.6F624 H625 V630F624-Q628 PolarHBondContact O-N 3.19Å; H625-Q628 PolarHBondContact O-N 3.23Å; H625-Q628 VanDerWaalsContact O-N 3.1Å; Q628-V630 PolarHBondContact O-N 3.47Å
629E52.2Low59.5Low45 Ų4556.9 Ų56.921%0.2128%0.28CS..  trans-95.545.5176.5-71.4171.6150.300110.1Y13 F624 R627 D631Y13-E629 VanDerWaalsContact CZ-OE2 3.24Å; Y13-E629 PolarHBondContact OH-OE2 2.92Å; F624-E629 HydrophobicContact CD1-CB 4.33Å; F624-E629 PolarHBondContact O-N 3.39Å; R627-E629 HydrophobicContact CB-CB 4.49Å; R627-E629 HydrophobicContact CB-CG 4.13Å; R627-E629 PolarHBondContact O-N 2.7Å; E629-D631 VanDerWaalsContact C-N 3.32Å; E629-D631 PolarHBondContact O-N 3.33Å
630V48.3Very low57.4Low34 Ų3460.2 Ų60.221%0.20630%0.301CS..THydrogen-bonded Turntrans-71.1-27.6-171.1-174.50000112.1Q628 I632 F633 K634 V726Q628-V630 PolarHBondContact O-N 3.47Å; V630-I632 PolarHBondContact O-N 2.8Å; V630-I632 VanDerWaalsContact O-N 3.1Å; V630-F633 PolarHBondContact O-N 2.89Å; V630-K634 HydrophobicContact CG1-CG 4.42Å; V630-K634 PolarHBondContact O-N 3.21Å; V630-V726 HydrophobicContact CG1-CG1 4.31Å
631D50.6Low55.6Low115 Ų11565.5 Ų65.562%0.61533%0.334SS*.Hα-helixtrans-59.8-28.3-174.6-68.6-22.1000113.2E629 F633 K634E629-D631 VanDerWaalsContact C-N 3.32Å; E629-D631 PolarHBondContact O-N 3.33Å; D631-F633 VanDerWaalsContact C-N 3.25Å; D631-F633 PolarHBondContact O-N 2.89Å; D631-K634 IonicContact OD1-NZ 2.83Å
632I51.7Low53.8Low55 Ų5571.6 Ų71.628%0.28237%0.367SS..Hα-helixtrans-64.9-33.4179-57.9174.5000110.8Y13 F624 V630 F636 L675Y13-I632 HydrophobicContact CD2-CD1 4.38Å; Y13-I632 HydrophobicContact CE2-CD1 3.86Å; F624-I632 HydrophobicContact CD1-CD1 4.37Å; F624-I632 HydrophobicContact CE1-CD1 4.16Å; V630-I632 PolarHBondContact O-N 2.8Å; V630-I632 VanDerWaalsContact O-N 3.1Å; I632-F636 HydrophobicContact CG2-CE2 4.22Å; I632-F636 WeakPolarHBondContact O-CD2 3.36Å; I632-F636 WeakPolarHBondContact O-CE2 3.13Å; I632-L675 HydrophobicContact CG2-CD1 3.77Å
633F52.3Low52.2Low33 Ų3373 Ų7315%0.14538%0.377CS..Hα-helixtrans-88.7-27.2-177.3-68.2-77.9000114.1I621 F624 V630 D631 D635 F636 S637 L675 L712I621-F633 HydrophobicContact CD1-CE1 4.47Å; I621-F633 HydrophobicContact CG1-CD1 4.3Å; I621-F633 HydrophobicContact CG1-CE1 3.66Å; I621-F633 HydrophobicContact CG1-CZ 3.9Å; F624-F633 HydrophobicContact CB-CD2 4.26Å; F624-F633 HydrophobicContact CB-CE2 3.47Å; F624-F633 VanDerWaalsContact CB-CE2 3.47Å; F624-F633 HydrophobicContact CB-CZ 4.32Å; F624-F633 HydrophobicContact CD1-CE2 4.05Å; F624-F633 AromaticContact CD2-CE2 3.53Å; F624-F633 HydrophobicContact CD2-CE2 3.53Å; F624-F633 AromaticContact CD2-CZ 3.54Å; F624-F633 HydrophobicContact CD2-CZ 3.54Å; F624-F633 HydrophobicContact CE2-CE2 4.3Å; F624-F633 HydrophobicContact CE2-CZ 4.01Å; F624-F633 AromaticContact CG-CE2 3.46Å; F624-F633 HydrophobicContact CG-CE2 3.46Å; F624-F633 VanDerWaalsContact CG-CE2 3.46Å; F624-F633 AromaticContact CG-CZ 3.99Å; F624-F633 HydrophobicContact CG-CZ 3.99Å; V630-F633 PolarHBondContact O-N 2.89Å; D631-F633 VanDerWaalsContact C-N 3.25Å; D631-F633 PolarHBondContact O-N 2.89Å; F633-D635 PolarHBondContact O-N 3.08Å; F633-F636 PolarHBondContact O-N 3.13Å; F633-S637 PolarHBondContact O-N 3.03Å; F633-L675 HydrophobicContact CE1-CD2 4.21Å; F633-L675 HydrophobicContact CZ-CD1 4.41Å; F633-L712 HydrophobicContact CD1-CD2 4.43Å; F633-L712 HydrophobicContact CE1-CD2 3.83Å
634K54.5Low50.7Low62 Ų6280.3 Ų80.327%0.2741%0.414SS..Hα-helixtrans-53.7-38.7175.5-71.7-178.8177.2173.70111.4V630 D631 F636 S637V630-K634 HydrophobicContact CG1-CG 4.42Å; V630-K634 PolarHBondContact O-N 3.21Å; D631-K634 IonicContact OD1-NZ 2.83Å; K634-F636 VanDerWaalsContact C-N 3.29Å; K634-F636 PolarHBondContact O-N 3.05Å; K634-S637 WeakPolarHBondContact O-CB 3.43Å; K634-S637 PolarHBondContact O-N 2.68Å; K634-S637 PolarHBondContact O-OG 2.77Å
635D51.2Low49.8Very low72 Ų7281.8 Ų81.839%0.38542%0.423SS..THydrogen-bonded Turntrans-68.4-19.7178.3-87.88000115.1F633 R671F633-D635 PolarHBondContact O-N 3.08Å; D635-R671 IonicContact OD2-CZ 3.04Å; D635-R671 IonicContact OD2-NH1 2.85Å; D635-R671 PolarHBondContact OD2-NH1 2.83Å; D635-R671 IonicContact OD2-NH2 2.71Å; D635-R671 PolarHBondContact OD2-NH2 2.74Å
636F53.2Low49.1Very low28 Ų2884.9 Ų84.912%0.12344%0.442CS..THydrogen-bonded Turntrans-91.8-12.7179-64.1-74.5000113.4I632 F633 K634 Q638 Y639 L668 R671 L672 L675I632-F636 HydrophobicContact CG2-CE2 4.22Å; I632-F636 WeakPolarHBondContact O-CD2 3.36Å; I632-F636 WeakPolarHBondContact O-CE2 3.13Å; F633-F636 PolarHBondContact O-N 3.13Å; K634-F636 VanDerWaalsContact C-N 3.29Å; K634-F636 PolarHBondContact O-N 3.05Å; F636-Q638 PolarHBondContact O-N 3.21Å; F636-Q638 VanDerWaalsContact O-N 3.15Å; F636-Y639 PolarHBondContact O-N 3.31Å; F636-L668 HydrophobicContact CD1-CD1 4.13Å; F636-L668 HydrophobicContact CE1-CD1 4.15Å; F636-R671 HydrophobicContact CE1-CB 4.18Å; F636-R671 HydrophobicContact CZ-CB 4.16Å; F636-L672 HydrophobicContact CD1-CD2 4.13Å; F636-L672 HydrophobicContact CE1-CD2 3.64Å; F636-L672 HydrophobicContact CE1-CG 3.99Å; F636-L672 HydrophobicContact CZ-CD2 4.33Å; F636-L675 HydrophobicContact CD2-CD2 4.47Å; F636-L675 HydrophobicContact CE2-CD2 3.76Å; F636-L675 HydrophobicContact CZ-CB 4.37Å; F636-L675 HydrophobicContact CZ-CD2 3.98Å
637S49.2Very low48.9Very low56 Ų5683.8 Ų83.839%0.39243%0.433SS..THydrogen-bonded Turntrans-61.9-16.1173.569.70000114.1F633 K634 Y639F633-S637 PolarHBondContact O-N 3.03Å; K634-S637 WeakPolarHBondContact O-CB 3.43Å; K634-S637 PolarHBondContact O-N 2.68Å; K634-S637 PolarHBondContact O-OG 2.77Å; S637-Y639 PolarHBondContact O-N 3.08Å
638Q48.9Very low48.7Very low157 Ų15783.6 Ų83.673%0.73445%0.445SS*.THydrogen-bonded Turntrans-83.58.2179.2-64.7-179.20.400113.6F636F636-Q638 PolarHBondContact O-N 3.21Å; F636-Q638 VanDerWaalsContact O-N 3.15Å
639Y46Very low49.2Very low68 Ų6878.6 Ų78.627%0.26743%0.429SS..SBendtrans-58.2128.6170.1-124.3-87000108.4F636 S637 T641 L668 A709F636-Y639 PolarHBondContact O-N 3.31Å; S637-Y639 PolarHBondContact O-N 3.08Å; Y639-T641 PolarHBondContact O-N 3.45Å; Y639-L668 HydrophobicContact CD2-CD2 4.36Å; Y639-L668 HydrophobicContact CE2-CD1 4.21Å; Y639-L668 HydrophobicContact CE2-CD2 3.53Å; Y639-L668 HydrophobicContact CE2-CG 4.37Å; Y639-A709 HydrophobicContact CE2-CB 4.4Å
640P41.9Very low50.3Low86 Ų8676.8 Ų76.856%0.55842%0.421SS*.  trans-57117.3174.920.8-29.1000108N642P640-N642 PolarHBondContact O-N 3.47Å
641T44.3Very low51.5Low116 Ų11676.3 Ų76.371%0.71242%0.418SS*.THydrogen-bonded Turntrans-57.85.5172.739.20000113.4Y639 L643 M644Y639-T641 PolarHBondContact O-N 3.45Å; T641-L643 CarbonylContact O-C 3.4Å; T641-L643 PolarHBondContact O-N 3.26Å; T641-M644 PolarHBondContact O-N 3.4Å
642N41.1Very low52.6Low150 Ų15072.6 Ų72.680%0.80240%0.403SS*.THydrogen-bonded Turntrans-77.7-0.5176.6-70.2-5.2000113.8P640 M644P640-N642 PolarHBondContact O-N 3.47Å; N642-M644 PolarHBondContact O-N 3.19Å
643L42.8Very low53.7Low75 Ų7571.2 Ų71.239%0.39340%0.396SS..  trans-80.571.9145.4-93.384.3000107.7T641 T645 Q717T641-L643 CarbonylContact O-C 3.4Å; T641-L643 PolarHBondContact O-N 3.26Å; L643-T645 HydrophobicContact CB-CG2 4.23Å; L643-T645 HydrophobicContact CD2-CG2 3.43Å; L643-T645 VanDerWaalsContact CD2-CG2 3.43Å; L643-T645 HydrophobicContact CG-CG2 3.72Å; L643-T645 PolarHBondContact O-N 2.94Å; L643-Q717 PolarHBondContact O-NE2 3.49Å
644M37.8Very low54.7Low180 Ų18069.7 Ų69.789%0.88739%0.389SS*.  trans-67.569.8134.2-79.6-163.684.700104.6T641 N642 D646T641-M644 PolarHBondContact O-N 3.4Å; N642-M644 PolarHBondContact O-N 3.19Å; M644-D646 PolarHBondContact O-N 2.78Å
645T46.1Very low55.6Low34 Ų3472.6 Ų72.621%0.20940%0.402CS..  trans-64.1114.9166.414.80000104L643 I647 E653L643-T645 HydrophobicContact CB-CG2 4.23Å; L643-T645 HydrophobicContact CD2-CG2 3.43Å; L643-T645 VanDerWaalsContact CD2-CG2 3.43Å; L643-T645 HydrophobicContact CG-CG2 3.72Å; L643-T645 PolarHBondContact O-N 2.94Å; T645-I647 WeakPolarHBondContact O-CG1 3.37Å; T645-I647 PolarHBondContact O-N 3.33Å; T645-E653 WeakPolarHBondContact CB-OE1 3.5Å; T645-E653 HydrophobicContact CG2-CG 4.01Å; T645-E653 WeakPolarHBondContact CG2-OE1 3.42Å; T645-E653 WeakPolarHBondContact CG2-OE2 3.46Å
646D48.8Very low56.4Low138 Ų13873.9 Ų73.974%0.73841%0.408SS*.  trans-54.695.4157.4-1723.3000105.1M644 G648 S649M644-D646 PolarHBondContact O-N 2.78Å; D646-G648 PolarHBondContact O-N 3.14Å; D646-G648 PolarHBondContact OD1-N 3.32Å; D646-S649 PolarHBondContact O-N 2.83Å
647I54.6Low56.8Low41 Ų4174 Ų7421%0.2141%0.413CS..G310 helixtrans-53.5-10.8-179.5-64.2173.3000110.1W592 T645 S649 L650W592-I647 HydrophobicContact CZ2-CG2 3.69Å; T645-I647 WeakPolarHBondContact O-CG1 3.37Å; T645-I647 PolarHBondContact O-N 3.33Å; I647-S649 PolarHBondContact O-N 3.11Å; I647-L650 PolarHBondContact O-N 2.68Å
648G52.8Low57.3Low42 Ų4275 Ų7543%0.43342%0.417SS..G310 helixtrans-46.2-14.4167.400000117.1D646D646-G648 PolarHBondContact O-N 3.14Å; D646-G648 PolarHBondContact OD1-N 3.32Å
649S65.3Low57.6Low64 Ų6474 Ų7445%0.44841%0.41SS..G310 helixtrans-141.756.2167.7-1500000115.5D646 I647 T651 A652 E653D646-S649 PolarHBondContact O-N 2.83Å; I647-S649 PolarHBondContact O-N 3.11Å; S649-T651 PolarHBondContact O-N 3.32Å; S649-T651 VanDerWaalsContact O-N 3.1Å; S649-A652 WeakPolarHBondContact O-CA 3.34Å; S649-A652 WeakPolarHBondContact O-CB 3.21Å; S649-A652 PolarHBondContact O-N 3.4Å; S649-A652 WeakPolarHBondContact OG-CB 3.15Å; S649-E653 PolarHBondContact O-N 3.38Å
650L75.2Confident57.7Low6 Ų676 Ų763%0.03143%0.434CS..Hα-helixtrans-44.2-44.4174-169.471.7000113.4W592 P606 E610 I611 I614 I647 A652 E653 F654 I714W592-L650 HydrophobicContact CH2-CD1 4.44Å; W592-L650 HydrophobicContact CH2-CD2 3.74Å; W592-L650 HydrophobicContact CZ2-CD2 4.35Å; P606-L650 HydrophobicContact CB-CB 4.29Å; P606-L650 HydrophobicContact CB-CD2 3.49Å; P606-L650 VanDerWaalsContact CB-CD2 3.49Å; P606-L650 HydrophobicContact CB-CG 4.36Å; P606-L650 HydrophobicContact CG-CD2 4.09Å; E610-L650 HydrophobicContact CB-CD2 4.43Å; I611-L650 HydrophobicContact CD1-CD2 4.44Å; I614-L650 HydrophobicContact CD1-CD1 4.41Å; I614-L650 HydrophobicContact CD1-CD2 3.89Å; I647-L650 PolarHBondContact O-N 2.68Å; L650-A652 VanDerWaalsContact C-N 3.3Å; L650-A652 PolarHBondContact O-N 3.37Å; L650-E653 WeakPolarHBondContact O-CB 3.48Å; L650-E653 PolarHBondContact O-N 3.06Å; L650-F654 HydrophobicContact CD1-CD2 4.17Å; L650-F654 HydrophobicContact CD1-CE2 3.86Å; L650-F654 HydrophobicContact CD2-CD2 4.48Å; L650-F654 HydrophobicContact CD2-CE2 4.07Å; L650-F654 HydrophobicContact CG-CD2 3.86Å; L650-F654 HydrophobicContact CG-CE2 3.79Å; L650-F654 WeakPolarHBondContact O-CD2 3.34Å; L650-F654 PolarHBondContact O-N 3.1Å; L650-I714 HydrophobicContact CD1-CD1 3.38Å
651T72.7Confident57.9Low25 Ų2579.4 Ų79.415%0.15344%0.442CS..Hα-helixtrans-57.8-39176.7-58.20000113.1N607 E610 S649 K655N607-T651 WeakPolarHBondContact ND2-CG2 3.34Å; E610-T651 WeakPolarHBondContact OE1-CA 3.42Å; E610-T651 PolarHBondContact OE2-OG1 3.18Å; S649-T651 PolarHBondContact O-N 3.32Å; S649-T651 VanDerWaalsContact O-N 3.1Å; T651-K655 HydrophobicContact CG2-CD 4.23Å; T651-K655 WeakPolarHBondContact O-CB 3.32Å; T651-K655 VanDerWaalsContact O-CG 3.23Å; T651-K655 WeakPolarHBondContact O-CG 3.16Å; T651-K655 PolarHBondContact O-N 3.01Å
652A74.8Confident58.2Low36 Ų3681.6 Ų81.630%0.29844%0.444SS..Hα-helixtrans-69.4-37.2176.500000111.1S649 L650 K655 N656S649-A652 WeakPolarHBondContact O-CA 3.34Å; S649-A652 WeakPolarHBondContact O-CB 3.21Å; S649-A652 PolarHBondContact O-N 3.4Å; S649-A652 WeakPolarHBondContact OG-CB 3.15Å; L650-A652 VanDerWaalsContact C-N 3.3Å; L650-A652 PolarHBondContact O-N 3.37Å; A652-K655 PolarHBondContact O-N 3.07Å; A652-N656 WeakPolarHBondContact O-CB 3.44Å; A652-N656 PolarHBondContact O-N 3.06Å; A652-N656 PolarHBondContact O-ND2 3.24Å
653E74.5Confident58.7Low27 Ų2777.2 Ų77.213%0.12642%0.42CS..Hα-helixtrans-65.5-44176.5-67.5173.9-14700112.2T645 S649 L650 K655 N656 S657 L710T645-E653 WeakPolarHBondContact CB-OE1 3.5Å; T645-E653 HydrophobicContact CG2-CG 4.01Å; T645-E653 WeakPolarHBondContact CG2-OE1 3.42Å; T645-E653 WeakPolarHBondContact CG2-OE2 3.46Å; S649-E653 PolarHBondContact O-N 3.38Å; L650-E653 WeakPolarHBondContact O-CB 3.48Å; L650-E653 PolarHBondContact O-N 3.06Å; E653-K655 VanDerWaalsContact C-N 3.34Å; E653-K655 PolarHBondContact O-N 2.89Å; E653-N656 PolarHBondContact O-N 3.4Å; E653-S657 WeakPolarHBondContact O-CB 3.06Å; E653-S657 PolarHBondContact O-N 3.04Å; E653-S657 PolarHBondContact O-OG 3.12Å; E653-L710 HydrophobicContact CB-CD1 4.26Å; E653-L710 HydrophobicContact CB-CD2 3.8Å; E653-L710 WeakPolarHBondContact OE2-CD1 3.23Å
654F73.6Confident59.1Low1 Ų182.1 Ų82.10%0.00444%0.441CS..Hα-helixtrans-63.4-38.5172.8-87-84.5000112.5E610 I614 L650 N656 S657 T658 R707 L710E610-F654 HydrophobicContact CB-CD2 3.72Å; E610-F654 HydrophobicContact CB-CE1 4.39Å; E610-F654 HydrophobicContact CB-CE2 3.56Å; E610-F654 HydrophobicContact CB-CG 4.21Å; E610-F654 HydrophobicContact CB-CZ 3.91Å; E610-F654 HydrophobicContact CG-CB 3.99Å; E610-F654 HydrophobicContact CG-CD1 4.02Å; E610-F654 HydrophobicContact CG-CD2 3.52Å; E610-F654 HydrophobicContact CG-CE1 4.35Å; E610-F654 HydrophobicContact CG-CE2 3.91Å; E610-F654 HydrophobicContact CG-CG 3.58Å; E610-F654 HydrophobicContact CG-CZ 4.29Å; E610-F654 WeakPolarHBondContact OE1-CB 3.5Å; I614-F654 HydrophobicContact CD1-CE2 4.18Å; I614-F654 HydrophobicContact CD1-CZ 4.29Å; I614-F654 HydrophobicContact CG1-CZ 4.2Å; L650-F654 HydrophobicContact CD1-CD2 4.17Å; L650-F654 HydrophobicContact CD1-CE2 3.86Å; L650-F654 HydrophobicContact CD2-CD2 4.48Å; L650-F654 HydrophobicContact CD2-CE2 4.07Å; L650-F654 HydrophobicContact CG-CD2 3.86Å; L650-F654 HydrophobicContact CG-CE2 3.79Å; L650-F654 WeakPolarHBondContact O-CD2 3.34Å; L650-F654 PolarHBondContact O-N 3.1Å; F654-N656 VanDerWaalsContact C-N 3.31Å; F654-N656 PolarHBondContact O-N 3.38Å; F654-S657 WeakPolarHBondContact CA-OG 3.17Å; F654-S657 PolarHBondContact O-N 3.13Å; F654-S657 PolarHBondContact O-OG 2.79Å; F654-S657 VanDerWaalsContact O-OG 3.04Å; F654-T658 WeakPolarHBondContact O-CG2 3.12Å; F654-T658 PolarHBondContact O-N 3.3Å; F654-T658 PolarHBondContact O-OG1 2.98Å; F654-R707 HydrophobicContact CD1-CB 4.49Å; F654-R707 HydrophobicContact CD1-CG 3.93Å; F654-R707 VanDerWaalsContact CD1-CZ 3.4Å; F654-R707 HydrophobicContact CE1-CB 4.33Å; F654-R707 HydrophobicContact CE1-CG 4.24Å; F654-L710 HydrophobicContact CB-CD2 4.46Å; F654-L710 HydrophobicContact CD1-CD2 4.08Å; F654-L710 HydrophobicContact CD2-CD2 3.48Å; F654-L710 VanDerWaalsContact CD2-CD2 3.48Å; F654-L710 HydrophobicContact CE1-CD2 4.22Å; F654-L710 HydrophobicContact CE2-CD2 3.63Å; F654-L710 HydrophobicContact CE2-CG 4.33Å; F654-L710 HydrophobicContact CG-CD2 3.73Å; F654-L710 HydrophobicContact CZ-CD2 4.01Å; F654-L710 HydrophobicContact CZ-CG 4.49Å
655K73.6Confident60.2Low122 Ų12276.3 Ų76.353%0.5342%0.418SS..Hα-helixtrans-65.7-33.3173-76.3172.4-176.9172.40112.8T651 A652 E653 T658T651-K655 HydrophobicContact CG2-CD 4.23Å; T651-K655 WeakPolarHBondContact O-CB 3.32Å; T651-K655 VanDerWaalsContact O-CG 3.23Å; T651-K655 WeakPolarHBondContact O-CG 3.16Å; T651-K655 PolarHBondContact O-N 3.01Å; A652-K655 PolarHBondContact O-N 3.07Å; E653-K655 VanDerWaalsContact C-N 3.34Å; E653-K655 PolarHBondContact O-N 2.89Å; K655-T658 PolarHBondContact O-OG1 3.17Å
656N68.3Low61.2Low99 Ų9980.8 Ų80.853%0.52944%0.441SS..Hα-helixtrans-79.1-36.8177.5-71.6-21.8000111.4A652 E653 F654 T658 K659A652-N656 WeakPolarHBondContact O-CB 3.44Å; A652-N656 PolarHBondContact O-N 3.06Å; A652-N656 PolarHBondContact O-ND2 3.24Å; E653-N656 PolarHBondContact O-N 3.4Å; F654-N656 VanDerWaalsContact C-N 3.31Å; F654-N656 PolarHBondContact O-N 3.38Å; N656-T658 PolarHBondContact O-N 2.81Å; N656-K659 PolarHBondContact O-N 2.92Å; N656-K659 VanDerWaalsContact O-N 3.15Å
657S61.5Low62.4Low31 Ų3180.9 Ų80.922%0.21743%0.434CS..Hα-helixtrans-69.1-22.3178.574.60000113.3E653 F654E653-S657 WeakPolarHBondContact O-CB 3.06Å; E653-S657 PolarHBondContact O-N 3.04Å; E653-S657 PolarHBondContact O-OG 3.12Å; F654-S657 WeakPolarHBondContact CA-OG 3.17Å; F654-S657 PolarHBondContact O-N 3.13Å; F654-S657 PolarHBondContact O-OG 2.79Å; F654-S657 VanDerWaalsContact O-OG 3.04Å
658T58.9Low63Low77 Ų7780.8 Ų80.847%0.47243%0.434SS..Hα-helixtrans-83.5-22.5172.948.80000113.6F654 K655 N656 S660 R707F654-T658 WeakPolarHBondContact O-CG2 3.12Å; F654-T658 PolarHBondContact O-N 3.3Å; F654-T658 PolarHBondContact O-OG1 2.98Å; K655-T658 PolarHBondContact O-OG1 3.17Å; N656-T658 PolarHBondContact O-N 2.81Å; T658-S660 PolarHBondContact O-N 3.09Å; T658-R707 HydrophobicContact CG2-CG 4.12Å
659K55.5Low63.9Low137 Ų13781.2 Ų81.260%0.59643%0.426SS*.SBendtrans-76117.4171.2-71174.6-175.7173.50107.8N656 H661N656-K659 PolarHBondContact O-N 2.92Å; N656-K659 VanDerWaalsContact O-N 3.15Å; K659-H661 PolarHBondContact O-N 3.21Å
660S47.9Very low64.3Low110 Ų11082.6 Ų82.677%0.76943%0.429SS*.  trans-66.340-172.956.50000115.8T658T658-S660 PolarHBondContact O-N 3.09Å
661H46.2Very low64.2Low157 Ų15786.6 Ų86.673%0.72744%0.444SS*.  trans-128.4113.8-177-69-57.2000110.7K659K659-H661 PolarHBondContact O-N 3.21Å
662Q49.4Very low64.3Low161 Ų16185.4 Ų85.475%0.75244%0.436SS*.  trans92.542.7161.7-51.7-174.4-1.200120.3Q664Q662-Q664 VanDerWaalsContact C-N 3.31Å; Q662-Q664 PolarHBondContact O-N 3.46Å
663I52.6Low64.5Low58 Ų5885.7 Ų85.730%0.29744%0.436SS..  trans-80.492.6140.5-57.4178.6000106S665 L668 N669I663-S665 PolarHBondContact O-N 2.67Å; I663-L668 HydrophobicContact CG2-CB 4.46Å; I663-L668 HydrophobicContact CG2-CD2 4.1Å; I663-L668 HydrophobicContact CG2-CG 4.48Å; I663-N669 HydrophobicContact CG2-CB 4.3Å
664Q52.2Low64.4Low179 Ų17988 Ų8884%0.83645%0.449SS*.  trans-61.7-13.6-175.3-71.4-178.8-3.400113.7Q662Q662-Q664 VanDerWaalsContact C-N 3.31Å; Q662-Q664 PolarHBondContact O-N 3.46Å
665S60.7Low64.5Low57 Ų5788.3 Ų88.340%0.39945%0.451SS..  trans-106.4103.5179.2-178.60000112.1I663 K667 L668 N669I663-S665 PolarHBondContact O-N 2.67Å; S665-K667 PolarHBondContact O-N 2.84Å; S665-K667 VanDerWaalsContact O-N 3.13Å; S665-L668 PolarHBondContact O-N 2.97Å; S665-L668 VanDerWaalsContact O-N 3.15Å; S665-L668 PolarHBondContact OG-N 2.86Å; S665-N669 PolarHBondContact O-N 2.86Å
666N67.1Low64.8Low128 Ų12883.4 Ų83.468%0.68443%0.43SS*.Hα-helixtrans-52-32.5170.5-81.4-19.7000112.2N670N666-N670 WeakPolarHBondContact O-CB 3.42Å; N666-N670 PolarHBondContact O-N 2.8Å; N666-N670 VanDerWaalsContact O-N 3.09Å; N666-N670 PolarHBondContact O-ND2 3.24Å; N666-N670 PolarHBondContact O-OD1 2.72Å
667K73.6Confident65.1Low140 Ų14080.9 Ų80.961%0.60942%0.416SS*.Hα-helixtrans-66.6-43.9179.8-172.1180179.1-175.20112.3S665 N670 R671S665-K667 PolarHBondContact O-N 2.84Å; S665-K667 VanDerWaalsContact O-N 3.13Å; K667-N670 PolarHBondContact O-N 3.44Å; K667-R671 WeakPolarHBondContact O-CG 3.45Å; K667-R671 PolarHBondContact O-N 3.04Å; K667-R671 VanDerWaalsContact O-N 3.07Å
668L66.5Low65.6Low39 Ų3980.2 Ų80.220%0.20441%0.411CS..Hα-helixtrans-67.9-44.8179.6175.764.7000111.4F636 Y639 I663 S665 N670 R671 L672F636-L668 HydrophobicContact CD1-CD1 4.13Å; F636-L668 HydrophobicContact CE1-CD1 4.15Å; Y639-L668 HydrophobicContact CD2-CD2 4.36Å; Y639-L668 HydrophobicContact CE2-CD1 4.21Å; Y639-L668 HydrophobicContact CE2-CD2 3.53Å; Y639-L668 HydrophobicContact CE2-CG 4.37Å; I663-L668 HydrophobicContact CG2-CB 4.46Å; I663-L668 HydrophobicContact CG2-CD2 4.1Å; I663-L668 HydrophobicContact CG2-CG 4.48Å; S665-L668 PolarHBondContact O-N 2.97Å; S665-L668 VanDerWaalsContact O-N 3.15Å; S665-L668 PolarHBondContact OG-N 2.86Å; L668-N670 VanDerWaalsContact C-N 3.28Å; L668-N670 PolarHBondContact O-N 2.75Å; L668-R671 WeakPolarHBondContact O-CB 3.2Å; L668-R671 PolarHBondContact O-N 3Å; L668-R671 VanDerWaalsContact O-N 3.1Å; L668-L672 HydrophobicContact CD1-CD1 4.35Å; L668-L672 HydrophobicContact CD1-CG 4.4Å; L668-L672 HydrophobicContact CG-CD1 4.1Å; L668-L672 WeakPolarHBondContact O-CG 3.18Å; L668-L672 PolarHBondContact O-N 2.58Å
669N72.4Confident66.4Low51 Ų5176.9 Ų76.927%0.27339%0.391SS..Hα-helixtrans-59.3-42.1177.2-169.237.8000111.4I663 S665 R671 L672 C673 P705I663-N669 HydrophobicContact CG2-CB 4.3Å; S665-N669 PolarHBondContact O-N 2.86Å; N669-R671 PolarHBondContact O-N 2.8Å; N669-L672 PolarHBondContact O-N 2.99Å; N669-C673 WeakPolarHBondContact O-CB 3.29Å; N669-C673 PolarHBondContact O-N 3.34Å; N669-C673 PolarHBondContact O-SG 2.89Å; N669-P705 WeakPolarHBondContact OD1-CB 3.14Å; N669-P705 WeakPolarHBondContact OD1-CG 3.21Å
670N73.7Confident67.6Low93 Ų9373.4 Ų73.450%0.49737%0.374SS..Hα-helixtrans-61.2-42.9174.2-69.8-14.8000112N666 K667 L668 C673 D674N666-N670 WeakPolarHBondContact O-CB 3.42Å; N666-N670 PolarHBondContact O-N 2.8Å; N666-N670 VanDerWaalsContact O-N 3.09Å; N666-N670 PolarHBondContact O-ND2 3.24Å; N666-N670 PolarHBondContact O-OD1 2.72Å; K667-N670 PolarHBondContact O-N 3.44Å; L668-N670 VanDerWaalsContact C-N 3.28Å; L668-N670 PolarHBondContact O-N 2.75Å; N670-C673 WeakPolarHBondContact O-CB 3.35Å; N670-C673 PolarHBondContact O-N 2.93Å; N670-D674 VanDerWaalsContact O-CG 3.26Å; N670-D674 PolarHBondContact O-N 3.21Å
671R73Confident68.6Low91 Ų9168.5 Ų68.534%0.34334%0.341SS..Hα-helixtrans-63.2-41.4176.5-76.5178.6161.6-156.9-16.6113.2D635 F636 K667 L668 N669 D674 L675D635-R671 IonicContact OD2-CZ 3.04Å; D635-R671 IonicContact OD2-NH1 2.85Å; D635-R671 PolarHBondContact OD2-NH1 2.83Å; D635-R671 IonicContact OD2-NH2 2.71Å; D635-R671 PolarHBondContact OD2-NH2 2.74Å; F636-R671 HydrophobicContact CE1-CB 4.18Å; F636-R671 HydrophobicContact CZ-CB 4.16Å; K667-R671 WeakPolarHBondContact O-CG 3.45Å; K667-R671 PolarHBondContact O-N 3.04Å; K667-R671 VanDerWaalsContact O-N 3.07Å; L668-R671 WeakPolarHBondContact O-CB 3.2Å; L668-R671 PolarHBondContact O-N 3Å; L668-R671 VanDerWaalsContact O-N 3.1Å; N669-R671 PolarHBondContact O-N 2.8Å; R671-D674 PolarHBondContact O-N 3.5Å; R671-L675 WeakPolarHBondContact O-CB 3.45Å; R671-L675 PolarHBondContact O-N 2.77Å
672L75.4Confident69.7Low0 Ų061.5 Ų61.50%031%0.31CS..Hα-helixtrans-65.4-40.8176-71.8165.6000111.4F636 L668 N669 L675 L676 P705 L708 A709 L712F636-L672 HydrophobicContact CD1-CD2 4.13Å; F636-L672 HydrophobicContact CE1-CD2 3.64Å; F636-L672 HydrophobicContact CE1-CG 3.99Å; F636-L672 HydrophobicContact CZ-CD2 4.33Å; L668-L672 HydrophobicContact CD1-CD1 4.35Å; L668-L672 HydrophobicContact CD1-CG 4.4Å; L668-L672 HydrophobicContact CG-CD1 4.1Å; L668-L672 WeakPolarHBondContact O-CG 3.18Å; L668-L672 PolarHBondContact O-N 2.58Å; N669-L672 PolarHBondContact O-N 2.99Å; L672-L675 PolarHBondContact O-N 3.3Å; L672-L676 WeakPolarHBondContact O-CB 3.34Å; L672-L676 WeakPolarHBondContact O-CG 3.36Å; L672-L676 PolarHBondContact O-N 2.83Å; L672-P705 HydrophobicContact CB-CB 4.05Å; L672-P705 HydrophobicContact CD1-CB 4.39Å; L672-L708 HydrophobicContact CD2-CD2 4.2Å; L672-A709 HydrophobicContact CD1-CB 3.82Å; L672-A709 HydrophobicContact CD2-CB 4.43Å; L672-L712 HydrophobicContact CD2-CD1 3.84Å
673C77.2Confident71Confident42 Ų4254 Ų5428%0.28428%0.276SS..Hα-helixtrans-60.2-45.4171.9-73.40000111.6N669 N670 L676 N677 P705N669-C673 WeakPolarHBondContact O-CB 3.29Å; N669-C673 PolarHBondContact O-N 3.34Å; N669-C673 PolarHBondContact O-SG 2.89Å; N670-C673 WeakPolarHBondContact O-CB 3.35Å; N670-C673 PolarHBondContact O-N 2.93Å; C673-L676 PolarHBondContact O-N 2.81Å; C673-N677 WeakPolarHBondContact O-CB 3.44Å; C673-N677 PolarHBondContact O-N 2.59Å; C673-N677 PolarHBondContact O-ND2 3.47Å; C673-P705 WeakPolarHBondContact SG-CG 3.31Å
674D74.1Confident72Confident76 Ų7653.6 Ų53.641%0.40627%0.27SS..Hα-helixtrans-62.5-44178.4-70.7-24.8000111.3N670 R671 N677 V678N670-D674 VanDerWaalsContact O-CG 3.26Å; N670-D674 PolarHBondContact O-N 3.21Å; R671-D674 PolarHBondContact O-N 3.5Å; D674-N677 PolarHBondContact O-N 2.67Å; D674-V678 WeakPolarHBondContact O-CB 3.5Å; D674-V678 VanDerWaalsContact O-CG2 3.29Å; D674-V678 WeakPolarHBondContact O-CG2 3.5Å; D674-V678 PolarHBondContact O-N 3.27Å
675L75.3Confident72.7Confident7 Ų746.1 Ų46.14%0.03724%0.236CC..Hα-helixtrans-59.1-50.8173.9176.159.3000111.4F624 I632 F633 F636 R671 L672 N677 V678 C679 L708 L712F624-L675 HydrophobicContact CE1-CD1 4.49Å; F624-L675 HydrophobicContact CE2-CD1 4.44Å; F624-L675 HydrophobicContact CZ-CD1 4.02Å; I632-L675 HydrophobicContact CG2-CD1 3.77Å; F633-L675 HydrophobicContact CE1-CD2 4.21Å; F633-L675 HydrophobicContact CZ-CD1 4.41Å; F636-L675 HydrophobicContact CD2-CD2 4.47Å; F636-L675 HydrophobicContact CE2-CD2 3.76Å; F636-L675 HydrophobicContact CZ-CB 4.37Å; F636-L675 HydrophobicContact CZ-CD2 3.98Å; R671-L675 WeakPolarHBondContact O-CB 3.45Å; R671-L675 PolarHBondContact O-N 2.77Å; L672-L675 PolarHBondContact O-N 3.3Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 3.02Å; L675-V678 WeakPolarHBondContact O-CB 3.23Å; L675-V678 PolarHBondContact O-N 3.41Å; L675-V678 VanDerWaalsContact O-N 3.16Å; L675-C679 PolarHBondContact O-N 2.99Å; L675-C679 PolarHBondContact O-SG 3.21Å; L675-L708 HydrophobicContact CD2-CD2 4.1Å; L675-L708 HydrophobicContact CG-CD2 4.36Å; L675-L712 HydrophobicContact CD2-CD1 3.98Å
676L78.6Confident72.9Confident18 Ų1844.2 Ų44.29%0.09422%0.222CC..Hα-helixtrans-56.1-44.7176.6-79.7170.4000112.1L672 C673 V678 C679 W680 A703 L708L672-L676 WeakPolarHBondContact O-CB 3.34Å; L672-L676 WeakPolarHBondContact O-CG 3.36Å; L672-L676 PolarHBondContact O-N 2.83Å; C673-L676 PolarHBondContact O-N 2.81Å; L676-V678 VanDerWaalsContact C-N 3.32Å; L676-V678 PolarHBondContact O-N 3.39Å; L676-C679 PolarHBondContact O-N 2.74Å; L676-W680 WeakPolarHBondContact O-CB 3.4Å; L676-W680 PolarHBondContact O-N 3.06Å; L676-A703 HydrophobicContact CD2-CB 3.99Å; L676-L708 HydrophobicContact CD1-CB 4.26Å; L676-L708 HydrophobicContact CD1-CD2 4.09Å; L676-L708 HydrophobicContact CD2-CB 4.19Å; L676-L708 HydrophobicContact CD2-CD1 4.29Å; L676-L708 HydrophobicContact CD2-CD2 3.55Å; L676-L708 HydrophobicContact CD2-CG 4.19Å; L676-L708 HydrophobicContact CG-CB 4.38Å; L676-L708 HydrophobicContact CG-CD2 3.43Å; L676-L708 VanDerWaalsContact CG-CD2 3.43Å; L676-L708 HydrophobicContact CG-CG 4.41Å
677N74.8Confident73.1Confident46 Ų4638.3 Ų38.325%0.24619%0.192CC..Hα-helixtrans-63-40.3179.1-71.9-34.6000111.6M1 C673 D674 L675 A681M1-N677 HydrophobicContact SD-CB 4.36Å; C673-N677 WeakPolarHBondContact O-CB 3.44Å; C673-N677 PolarHBondContact O-N 2.59Å; C673-N677 PolarHBondContact O-ND2 3.47Å; D674-N677 PolarHBondContact O-N 2.67Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 3.02Å; N677-A681 WeakPolarHBondContact O-CB 3.47Å; N677-A681 PolarHBondContact O-N 3.36Å
678V71.9Confident73.2Confident17 Ų1731.7 Ų31.710%0.10316%0.163CC..Hα-helixtrans-64.8-52.5175.8165.80000111.1V9 Y13 F624 D674 L675 L676 W680 A681 G682V9-V678 HydrophobicContact CG1-CG2 3.43Å; V9-V678 VanDerWaalsContact CG1-CG2 3.43Å; Y13-V678 HydrophobicContact CD1-CG1 3.61Å; Y13-V678 HydrophobicContact CD2-CG1 3.21Å; Y13-V678 HydrophobicContact CE1-CG1 3.83Å; Y13-V678 HydrophobicContact CE2-CG1 3.46Å; Y13-V678 VanDerWaalsContact CE2-CG1 3.46Å; Y13-V678 HydrophobicContact CG-CG1 3.28Å; F624-V678 HydrophobicContact CE1-CG1 4.43Å; D674-V678 WeakPolarHBondContact O-CB 3.5Å; D674-V678 VanDerWaalsContact O-CG2 3.29Å; D674-V678 WeakPolarHBondContact O-CG2 3.5Å; D674-V678 PolarHBondContact O-N 3.27Å; L675-V678 WeakPolarHBondContact O-CB 3.23Å; L675-V678 PolarHBondContact O-N 3.41Å; L675-V678 VanDerWaalsContact O-N 3.16Å; L676-V678 VanDerWaalsContact C-N 3.32Å; L676-V678 PolarHBondContact O-N 3.39Å; V678-W680 VanDerWaalsContact C-N 3.32Å; V678-W680 PolarHBondContact O-N 3.12Å; V678-A681 PolarHBondContact O-N 3.13Å; V678-G682 PolarHBondContact O-N 2.85Å
679C76.7Confident73.6Confident8 Ų830 Ų305%0.05416%0.155CC..Hα-helixtrans-54.8-51.4177.4-63.30000110.4L620 F624 L675 L676 A681 G682 D683 Y700L620-C679 HydrophobicContact CD1-CB 4.31Å; L620-C679 HydrophobicContact CD2-CB 4.13Å; F624-C679 WeakPolarHBondContact CE2-SG 3.38Å; F624-C679 HydrophobicContact CZ-CB 4.48Å; F624-C679 WeakPolarHBondContact CZ-SG 3.42Å; L675-C679 PolarHBondContact O-N 2.99Å; L675-C679 PolarHBondContact O-SG 3.21Å; L676-C679 PolarHBondContact O-N 2.74Å; C679-A681 PolarHBondContact O-N 3.02Å; C679-G682 PolarHBondContact O-N 3.24Å; C679-D683 WeakPolarHBondContact O-CB 3.29Å; C679-D683 PolarHBondContact O-N 3.35Å; C679-Y700 HydrophobicContact CB-CE1 4.22Å; C679-Y700 VanDerWaalsContact CB-OH 3.25Å; C679-Y700 WeakPolarHBondContact CB-OH 3.16Å; C679-Y700 PolarHBondContact O-OH 3.41Å
680W79.8Confident73.4Confident63 Ų6329.5 Ų29.524%0.23915%0.149CC..Hα-helixtrans-61.3-44.6-178.7178.281.3000111.8W3 V6 L676 V678 D683 W684 Y700W3-W680 AromaticContact CH2-CH2 3.34Å; W3-W680 HydrophobicContact CH2-CH2 3.34Å; W3-W680 HydrophobicContact CH2-CZ2 4.17Å; W3-W680 HydrophobicContact CH2-CZ3 4.13Å; W3-W680 AromaticContact CZ2-CH2 3.67Å; W3-W680 HydrophobicContact CZ2-CH2 3.67Å; W3-W680 HydrophobicContact CZ2-CZ2 4.38Å; W3-W680 AromaticContact CZ3-CH2 3.77Å; W3-W680 HydrophobicContact CZ3-CH2 3.77Å; W3-W680 HydrophobicContact CZ3-CZ3 4.11Å; V6-W680 HydrophobicContact CB-CZ3 4.43Å; V6-W680 HydrophobicContact CG1-CE3 3.63Å; V6-W680 HydrophobicContact CG1-CZ3 3.46Å; V6-W680 VanDerWaalsContact CG1-CZ3 3.46Å; L676-W680 WeakPolarHBondContact O-CB 3.4Å; L676-W680 PolarHBondContact O-N 3.06Å; V678-W680 VanDerWaalsContact C-N 3.32Å; V678-W680 PolarHBondContact O-N 3.12Å; W680-D683 PolarHBondContact O-N 3.13Å; W680-W684 HydrophobicContact CZ2-CG 4.5Å; W680-W684 WeakPolarHBondContact O-CB 3.32Å; W680-W684 PolarHBondContact O-N 3.05Å; W680-Y700 HydrophobicContact CB-CD1 3.89Å; W680-Y700 HydrophobicContact CB-CE1 3.66Å; W680-Y700 HydrophobicContact CB-CG 4.49Å; W680-Y700 AromaticContact CD1-CD1 3.72Å; W680-Y700 AromaticContact CD1-CD2 3.79Å; W680-Y700 AromaticContact CD1-CG 3.5Å; W680-Y700 HydrophobicContact CG-CD1 4.22Å; W680-Y700 HydrophobicContact CG-CE1 4.39Å; W680-Y700 HydrophobicContact CG-CG 4.39Å; W680-Y700 PolarHBondContact N-OH 3.01Å
681A69.9Low72.9Confident8 Ų829.8 Ų29.87%0.06616%0.156CC..Hα-helixtrans-65-42178.700000111.7V6 N677 V678 C679 W684 L685V6-A681 HydrophobicContact CG1-CB 4.14Å; N677-A681 WeakPolarHBondContact O-CB 3.47Å; N677-A681 PolarHBondContact O-N 3.36Å; V678-A681 PolarHBondContact O-N 3.13Å; C679-A681 PolarHBondContact O-N 3.02Å; A681-W684 PolarHBondContact O-N 3.42Å; A681-L685 VanDerWaalsContact O-CG 3.31Å; A681-L685 WeakPolarHBondContact O-CG 3.48Å; A681-L685 PolarHBondContact O-N 3.34Å
682G69.7Low72.1Confident9 Ų927.2 Ų27.29%0.09315%0.151CC..Hα-helixtrans-59.9-49.3174.800000112V678 C679 W684 L685 S686V678-G682 PolarHBondContact O-N 2.85Å; C679-G682 PolarHBondContact O-N 3.24Å; G682-W684 VanDerWaalsContact C-N 3.35Å; G682-W684 PolarHBondContact O-N 2.99Å; G682-L685 PolarHBondContact O-N 3.47Å; G682-S686 PolarHBondContact O-N 3.49Å
683D76.8Confident71.5Confident4 Ų430.8 Ų30.82%0.02117%0.17CC..Hα-helixtrans-68.8-31.9178.2-79.3-14.9000113.3L620 C679 W680 L685 S686 G687 A688 A689 R696 Y700L620-D683 WeakPolarHBondContact CD2-OD2 3.32Å; C679-D683 WeakPolarHBondContact O-CB 3.29Å; C679-D683 PolarHBondContact O-N 3.35Å; W680-D683 PolarHBondContact O-N 3.13Å; D683-L685 VanDerWaalsContact C-N 3.29Å; D683-S686 WeakPolarHBondContact CA-OG 3.29Å; D683-S686 PolarHBondContact O-N 2.96Å; D683-S686 PolarHBondContact O-OG 3.23Å; D683-G687 CarbonylContact O-C 3.54Å; D683-G687 VanDerWaalsContact O-C 3.29Å; D683-G687 WeakPolarHBondContact O-CA 3.28Å; D683-G687 PolarHBondContact O-N 3.46Å; D683-A688 HydrophobicContact CB-CB 3.9Å; D683-A688 PolarHBondContact O-N 2.47Å; D683-A689 HydrophobicContact CB-CB 3.59Å; D683-A689 PolarHBondContact O-N 3.47Å; D683-R696 VanDerWaalsContact CG-NH2 3.3Å; D683-R696 IonicContact OD1-CZ 3.89Å; D683-R696 IonicContact OD1-NE 2.75Å; D683-R696 IonicContact OD1-NH2 3.36Å; D683-R696 PolarHBondContact OD1-NH2 3.34Å; D683-R696 IonicContact OD2-CZ 3.44Å; D683-R696 IonicContact OD2-NE 3.85Å; D683-R696 PolarHBondContact OD2-NE 2.81Å; D683-R696 IonicContact OD2-NH2 2.76Å; D683-R696 PolarHBondContact OD2-NH2 3.45Å; D683-Y700 HydrophobicContact CB-CE2 3.82Å; D683-Y700 WeakPolarHBondContact OD2-CE2 3.07Å; D683-Y700 VanDerWaalsContact OD2-CZ 3.28Å; D683-Y700 PolarHBondContact OD2-OH 2.9Å
684W73.6Confident71.4Confident49 Ų4928.8 Ų28.819%0.18616%0.157CC..Hα-helixtrans-68.9-35175.9-169.294.5000110.4W3 W680 A681 G682 A689 R690W3-W684 HydrophobicContact CH2-CZ2 4.45Å; W680-W684 HydrophobicContact CZ2-CG 4.5Å; W680-W684 WeakPolarHBondContact O-CB 3.32Å; W680-W684 PolarHBondContact O-N 3.05Å; A681-W684 PolarHBondContact O-N 3.42Å; G682-W684 VanDerWaalsContact C-N 3.35Å; G682-W684 PolarHBondContact O-N 2.99Å; W684-A689 HydrophobicContact CB-CB 4.15Å; W684-R690 HydrophobicContact CD2-CG 4.27Å; W684-R690 HydrophobicContact CG-CG 4.16Å; W684-R690 WeakPolarHBondContact O-CD 3.44Å; W684-R690 WeakPolarHBondContact O-CG 3.32Å; W684-R690 PolarHBondContact O-NE 3.18Å
685L65.7Low71.7Confident23 Ų2325.3 Ų25.312%0.1214%0.139CC..Hα-helixtrans-73.4-36.2174.6-70.4169.3000112.5L14 L20 L465 A681 G682 D683 G687L14-L685 HydrophobicContact CD1-CD1 3.3Å; L20-L685 HydrophobicContact CD2-CD1 4.37Å; L465-L685 HydrophobicContact CD2-CB 4.38Å; A681-L685 VanDerWaalsContact O-CG 3.31Å; A681-L685 WeakPolarHBondContact O-CG 3.48Å; A681-L685 PolarHBondContact O-N 3.34Å; G682-L685 PolarHBondContact O-N 3.47Å; D683-L685 VanDerWaalsContact C-N 3.29Å; L685-G687 VanDerWaalsContact C-N 3.31Å
686S66.2Low72.2Confident16 Ų1625.3 Ų25.311%0.11214%0.138CC..Hα-helixtrans-78-15.3175.175.90000113.9T473 G682 D683 A688T473-S686 VanDerWaalsContact OG1-CB 3.3Å; T473-S686 WeakPolarHBondContact OG1-CB 3.24Å; T473-S686 PolarHBondContact OG1-OG 3.43Å; G682-S686 PolarHBondContact O-N 3.49Å; D683-S686 WeakPolarHBondContact CA-OG 3.29Å; D683-S686 PolarHBondContact O-N 2.96Å; D683-S686 PolarHBondContact O-OG 3.23Å; S686-A688 PolarHBondContact OG-N 2.78Å
687G69.6Low72.4Confident5 Ų525.1 Ų25.15%0.05214%0.138CC..SBendtrans95.7-11.9-176.900000114.5D683 L685 A689 R690 G694D683-G687 CarbonylContact O-C 3.54Å; D683-G687 VanDerWaalsContact O-C 3.29Å; D683-G687 WeakPolarHBondContact O-CA 3.28Å; D683-G687 PolarHBondContact O-N 3.46Å; L685-G687 VanDerWaalsContact C-N 3.31Å; G687-A689 VanDerWaalsContact C-N 3.28Å; G687-A689 PolarHBondContact O-N 3.34Å; G687-R690 PolarHBondContact O-N 3.3Å; G687-R690 VanDerWaalsContact O-N 3.13Å; G687-G694 WeakPolarHBondContact O-CA 3.35Å
688A77.3Confident72.9Confident0 Ų024.6 Ų24.60%014%0.135CC..THydrogen-bonded Turntrans-62.8-27.5178.300000114.6N474 D683 S686 G694 V695 R696 S697N474-A688 HydrophobicContact CB-CB 4.09Å; N474-A688 WeakPolarHBondContact OD1-CA 3.02Å; D683-A688 HydrophobicContact CB-CB 3.9Å; D683-A688 PolarHBondContact O-N 2.47Å; S686-A688 PolarHBondContact OG-N 2.78Å; A688-G694 CarbonylContact O-C 3.44Å; A688-G694 WeakPolarHBondContact O-CA 3.08Å; A688-V695 PolarHBondContact O-N 3.29Å; A688-V695 VanDerWaalsContact O-N 3.16Å; A688-R696 VanDerWaalsContact CB-NH2 3.28Å; A688-R696 CarbonylContact O-C 3.57Å; A688-R696 WeakPolarHBondContact O-CA 2.92Å; A688-R696 PolarHBondContact O-N 2.77Å; A688-S697 PolarHBondContact O-N 3.16Å
689A74.6Confident73.7Confident3 Ų323.9 Ų23.93%0.02513%0.131CC..THydrogen-bonded Turntrans-100.50.4174.300000113.5D683 W684 G687 P691 Y700D683-A689 HydrophobicContact CB-CB 3.59Å; D683-A689 PolarHBondContact O-N 3.47Å; W684-A689 HydrophobicContact CB-CB 4.15Å; G687-A689 VanDerWaalsContact C-N 3.28Å; G687-A689 PolarHBondContact O-N 3.34Å; A689-P691 WeakPolarHBondContact O-CD 3.27Å; A689-Y700 HydrophobicContact CB-CD2 3.51Å; A689-Y700 HydrophobicContact CB-CE2 3.59Å
690R67.2Low74.2Confident42 Ų4225 Ų2516%0.15813%0.134CC..SBendtrans-80110.7-175.2-74.7-170.3178.6-1780.5111.5F440 W684 G687 N693 G694F440-R690 VanDerWaalsContact CE2-NH1 3.31Å; W684-R690 HydrophobicContact CD2-CG 4.27Å; W684-R690 HydrophobicContact CG-CG 4.16Å; W684-R690 WeakPolarHBondContact O-CD 3.44Å; W684-R690 WeakPolarHBondContact O-CG 3.32Å; W684-R690 PolarHBondContact O-NE 3.18Å; G687-R690 PolarHBondContact O-N 3.3Å; G687-R690 VanDerWaalsContact O-N 3.13Å; R690-N693 CarbonylContact O-C 3.29Å; R690-N693 PolarHBondContact O-N 3.44Å; R690-N693 VanDerWaalsContact O-N 3.09Å; R690-G694 WeakPolarHBondContact O-CA 3.13Å; R690-G694 PolarHBondContact O-N 2.78Å
691P64.1Low74.5Confident98 Ų9826.2 Ų26.264%0.63615%0.152SC*.THydrogen-bonded Turntrans-65.6155.2174-15.732.4000110.6A689 N693A689-P691 WeakPolarHBondContact O-CD 3.27Å; P691-N693 VanDerWaalsContact C-N 3.28Å
692P56.1Low75.3Confident38 Ų3828.5 Ų28.525%0.24716%0.159CC..THydrogen-bonded Turncis-85.45.4-9.335.9-36.1000112.9K131K131-P692 HydrophobicContact CB-CB 4.48Å; K131-P692 HydrophobicContact CB-CG 3.99Å; K131-P692 HydrophobicContact CD-CB 4.47Å; K131-P692 WeakPolarHBondContact CE-O 3.23Å; K131-P692 HydrophobicContact CG-CB 4.3Å; K131-P692 HydrophobicContact CG-CG 3.83Å; K131-P692 PolarHBondContact NZ-O 2.65Å
693N63.1Low75.9Confident74 Ų7429.4 Ų29.440%0.39617%0.166SC..THydrogen-bonded Turntrans-108.7-0.9-163.2-66.5-25.4000114.6K131 R437 R690 P691K131-N693 VanDerWaalsContact CE-OD1 3.3Å; K131-N693 WeakPolarHBondContact CE-OD1 3.41Å; R437-N693 PolarHBondContact NH2-O 2.97Å; R690-N693 CarbonylContact O-C 3.29Å; R690-N693 PolarHBondContact O-N 3.44Å; R690-N693 VanDerWaalsContact O-N 3.09Å; P691-N693 VanDerWaalsContact C-N 3.28Å
694G73.3Confident76.2Confident1 Ų131.4 Ų31.41%0.0118%0.178CC..  trans-81.5131.9179.200000111G687 A688 R690 R696 S697G687-G694 WeakPolarHBondContact O-CA 3.35Å; A688-G694 CarbonylContact O-C 3.44Å; A688-G694 WeakPolarHBondContact O-CA 3.08Å; R690-G694 WeakPolarHBondContact O-CA 3.13Å; R690-G694 PolarHBondContact O-N 2.78Å; G694-R696 PolarHBondContact O-N 3.26Å; G694-S697 WeakPolarHBondContact O-CB 3.46Å; G694-S697 PolarHBondContact O-N 3.26Å; G694-S697 VanDerWaalsContact O-N 3.07Å; G694-S697 PolarHBondContact O-OG 3.31Å
695V81.8Confident76.5Confident3 Ų330.4 Ų30.42%0.01818%0.178CC..THydrogen-bonded Turntrans-52.2-40.1179173.10000112.6Q409 N474 H616 A688Q409-V695 HydrophobicContact CG-CG1 4.09Å; N474-V695 WeakPolarHBondContact O-CG2 3.1Å; N474-V695 PolarHBondContact OD1-N 3.21Å; H616-V695 PolarHBondContact CE1-O 2.99Å; A688-V695 PolarHBondContact O-N 3.29Å; A688-V695 VanDerWaalsContact O-N 3.16Å
696R86.1Confident77Confident7 Ų730 Ų303%0.02618%0.18CC..THydrogen-bonded Turntrans-99.38.5-177.3-74.2-174.7-70.6-78.6-0.4113.3T473 H616 D683 A688 G694 L698 F699 Y700T473-R696 PolarHBondContact O-NH1 3.35Å; T473-R696 PolarHBondContact O-NH2 3.43Å; H616-R696 HydrophobicContact CB-CG 4.12Å; H616-R696 WeakPolarHBondContact ND1-CG 3.1Å; D683-R696 VanDerWaalsContact CG-NH2 3.3Å; D683-R696 IonicContact OD1-CZ 3.89Å; D683-R696 IonicContact OD1-NE 2.75Å; D683-R696 IonicContact OD1-NH2 3.36Å; D683-R696 PolarHBondContact OD1-NH2 3.34Å; D683-R696 IonicContact OD2-CZ 3.44Å; D683-R696 IonicContact OD2-NE 3.85Å; D683-R696 PolarHBondContact OD2-NE 2.81Å; D683-R696 IonicContact OD2-NH2 2.76Å; D683-R696 PolarHBondContact OD2-NH2 3.45Å; A688-R696 VanDerWaalsContact CB-NH2 3.28Å; A688-R696 CarbonylContact O-C 3.57Å; A688-R696 WeakPolarHBondContact O-CA 2.92Å; A688-R696 PolarHBondContact O-N 2.77Å; G694-R696 PolarHBondContact O-N 3.26Å; R696-L698 PolarHBondContact O-N 3.36Å; R696-F699 HydrophobicContact CB-CB 4.32Å; R696-F699 HydrophobicContact CB-CD1 4.48Å; R696-F699 WeakPolarHBondContact O-CB 3.44Å; R696-F699 PolarHBondContact O-N 3.19Å; R696-Y700 HydrophobicContact CB-CD2 4.01Å; R696-Y700 HydrophobicContact CB-CE2 3.73Å; R696-Y700 WeakPolarHBondContact O-CD2 3.44Å; R696-Y700 PolarHBondContact O-N 3.28Å
697S81.7Confident78Confident14 Ų1430.2 Ų30.210%0.09818%0.178CC..Hα-helixtrans-59.3-35.6-179.160.40000112.7A688 G694 S701A688-S697 PolarHBondContact O-N 3.16Å; G694-S697 WeakPolarHBondContact O-CB 3.46Å; G694-S697 PolarHBondContact O-N 3.26Å; G694-S697 VanDerWaalsContact O-N 3.07Å; G694-S697 PolarHBondContact O-OG 3.31Å; S697-S701 PolarHBondContact O-N 3.38Å
698L85.9Confident78.6Confident34 Ų3430.3 Ų30.318%0.17818%0.177CC..Hα-helixtrans-76.5-44.2178.2-66.1167.1000112.3H232 P233 E412 R696 Y700 S701 R702H232-L698 WeakPolarHBondContact NE2-CD1 3.36Å; P233-L698 HydrophobicContact CG-CD1 3.91Å; E412-L698 HydrophobicContact CB-CD1 4.11Å; E412-L698 HydrophobicContact CG-CD1 4.26Å; E412-L698 WeakPolarHBondContact OE1-CB 3.37Å; E412-L698 WeakPolarHBondContact OE2-CB 3.23Å; E412-L698 WeakPolarHBondContact OE2-CD1 3.42Å; R696-L698 PolarHBondContact O-N 3.36Å; L698-Y700 VanDerWaalsContact C-N 3.3Å; L698-Y700 PolarHBondContact O-N 3.44Å; L698-S701 WeakPolarHBondContact O-CA 3.42Å; L698-S701 WeakPolarHBondContact O-CB 3.14Å; L698-S701 PolarHBondContact O-N 3Å; L698-S701 PolarHBondContact O-OG 3Å; L698-R702 PolarHBondContact O-N 3.28Å; L698-R702 VanDerWaalsContact O-N 3.15Å
699F89.3Confident78.8Confident3 Ų330.7 Ų30.71%0.01318%0.18CC..Hα-helixtrans-46.4-52.7167.4170.3-104.1000112.2E412 D613 H616 L620 R696 S701 R702 A703 L708E412-F699 PolarHBondContact OE1-N 2.93Å; D613-F699 HydrophobicContact CB-CD2 4.1Å; D613-F699 HydrophobicContact CB-CE2 4.22Å; H616-F699 HydrophobicContact CB-CB 4.01Å; H616-F699 HydrophobicContact CB-CD1 4.39Å; H616-F699 HydrophobicContact CB-CD2 3.72Å; H616-F699 HydrophobicContact CB-CE2 4.25Å; H616-F699 HydrophobicContact CB-CG 3.77Å; L620-F699 HydrophobicContact CD1-CD1 4.4Å; L620-F699 HydrophobicContact CD1-CE1 3.55Å; L620-F699 HydrophobicContact CD1-CZ 3.95Å; R696-F699 HydrophobicContact CB-CB 4.32Å; R696-F699 HydrophobicContact CB-CD1 4.48Å; R696-F699 WeakPolarHBondContact O-CB 3.44Å; R696-F699 PolarHBondContact O-N 3.19Å; F699-S701 PolarHBondContact O-N 3.46Å; F699-R702 CarbonylContact O-C 3.59Å; F699-R702 PolarHBondContact O-N 2.99Å; F699-R702 VanDerWaalsContact O-N 3.09Å; F699-A703 WeakPolarHBondContact O-CB 3.4Å; F699-A703 PolarHBondContact O-N 2.9Å; F699-L708 HydrophobicContact CZ-CD1 4.37Å
700Y86.8Confident79.2Confident31 Ų3131.1 Ų31.112%0.12218%0.182CC..Hα-helixtrans-67.7-23179.3-71-63.5000114.1C679 W680 D683 A689 R696 L698 R702C679-Y700 HydrophobicContact CB-CE1 4.22Å; C679-Y700 VanDerWaalsContact CB-OH 3.25Å; C679-Y700 WeakPolarHBondContact CB-OH 3.16Å; C679-Y700 PolarHBondContact O-OH 3.41Å; W680-Y700 HydrophobicContact CB-CD1 3.89Å; W680-Y700 HydrophobicContact CB-CE1 3.66Å; W680-Y700 HydrophobicContact CB-CG 4.49Å; W680-Y700 AromaticContact CD1-CD1 3.72Å; W680-Y700 AromaticContact CD1-CD2 3.79Å; W680-Y700 AromaticContact CD1-CG 3.5Å; W680-Y700 HydrophobicContact CG-CD1 4.22Å; W680-Y700 HydrophobicContact CG-CE1 4.39Å; W680-Y700 HydrophobicContact CG-CG 4.39Å; W680-Y700 PolarHBondContact N-OH 3.01Å; D683-Y700 HydrophobicContact CB-CE2 3.82Å; D683-Y700 WeakPolarHBondContact OD2-CE2 3.07Å; D683-Y700 VanDerWaalsContact OD2-CZ 3.28Å; D683-Y700 PolarHBondContact OD2-OH 2.9Å; A689-Y700 HydrophobicContact CB-CD2 3.51Å; A689-Y700 HydrophobicContact CB-CE2 3.59Å; R696-Y700 HydrophobicContact CB-CD2 4.01Å; R696-Y700 HydrophobicContact CB-CE2 3.73Å; R696-Y700 WeakPolarHBondContact O-CD2 3.44Å; R696-Y700 PolarHBondContact O-N 3.28Å; L698-Y700 VanDerWaalsContact C-N 3.3Å; L698-Y700 PolarHBondContact O-N 3.44Å; Y700-R702 VanDerWaalsContact C-N 3.31Å
701S85Confident80.3Confident89 Ų8929.1 Ų29.162%0.62218%0.175SC*.Hα-helixtrans-72.8-26.1173.8810000112.8S697 L698 F699S697-S701 PolarHBondContact O-N 3.38Å; L698-S701 WeakPolarHBondContact O-CA 3.42Å; L698-S701 WeakPolarHBondContact O-CB 3.14Å; L698-S701 PolarHBondContact O-N 3Å; L698-S701 PolarHBondContact O-OG 3Å; F699-S701 PolarHBondContact O-N 3.46Å
702R86.6Confident81.2Confident55 Ų5525.3 Ų25.321%0.20815%0.149CC..Hα-helixtrans-98.3-18.6176.9-63-172.3-60.9-91.1-3.8113.3E412 D613 L698 F699 Y700 T704 R707E412-R702 IonicContact OE1-CZ 3.87Å; E412-R702 IonicContact OE1-NH1 2.68Å; E412-R702 IonicContact OE1-NH2 3.61Å; E412-R702 PolarHBondContact OE1-NH2 3.18Å; E412-R702 IonicContact OE2-CZ 2.82Å; E412-R702 IonicContact OE2-NH1 3.36Å; E412-R702 PolarHBondContact OE2-NH1 3.32Å; E412-R702 IonicContact OE2-NH2 3.48Å; E412-R702 PolarHBondContact OE2-NH2 2.9Å; E412-R702 VanDerWaalsContact OE2-NH2 3.15Å; D613-R702 IonicContact OD1-CZ 3.44Å; D613-R702 IonicContact OD1-NE 3.57Å; D613-R702 PolarHBondContact OD1-NE 3.42Å; D613-R702 VanDerWaalsContact OD1-NE 3.08Å; D613-R702 IonicContact OD1-NH2 2.71Å; D613-R702 PolarHBondContact OD1-NH2 3.36Å; D613-R702 IonicContact OD2-NE 3.62Å; L698-R702 PolarHBondContact O-N 3.28Å; L698-R702 VanDerWaalsContact O-N 3.15Å; F699-R702 CarbonylContact O-C 3.59Å; F699-R702 PolarHBondContact O-N 2.99Å; F699-R702 VanDerWaalsContact O-N 3.09Å; Y700-R702 VanDerWaalsContact C-N 3.31Å; R702-T704 PolarHBondContact O-N 3.13Å; R702-R707 WeakPolarHBondContact O-CD 3.4Å
703A82.6Confident82.2Confident28 Ų2824.5 Ų24.523%0.23114%0.143CC..  trans-58.1126.1-172.400000112.3L676 F699L676-A703 HydrophobicContact CD2-CB 3.99Å; F699-A703 WeakPolarHBondContact O-CB 3.4Å; F699-A703 PolarHBondContact O-N 2.9Å
704T84.7Confident83.3Confident47 Ų4721.1 Ų21.129%0.28812%0.124SC..  trans-129.4157.6167.263.70000108.2R702 G706 R707 L708R702-T704 PolarHBondContact O-N 3.13Å; T704-G706 PolarHBondContact O-N 2.9Å; T704-R707 PolarHBondContact O-N 2.76Å; T704-R707 WeakPolarHBondContact OG1-CB 3.47Å; T704-R707 WeakPolarHBondContact OG1-CG 3.26Å; T704-R707 PolarHBondContact OG1-N 2.81Å; T704-R707 VanDerWaalsContact OG1-N 3.12Å; T704-L708 WeakPolarHBondContact O-CB 3.38Å; T704-L708 PolarHBondContact O-N 3.33Å
705P77.9Confident83.9Confident28 Ų2821.1 Ų21.118%0.18212%0.124CC..Hα-helixtrans-55.1-37.5175.6-28.136.6000112.9N669 L672 C673 A709N669-P705 WeakPolarHBondContact OD1-CB 3.14Å; N669-P705 WeakPolarHBondContact OD1-CG 3.21Å; L672-P705 HydrophobicContact CB-CB 4.05Å; L672-P705 HydrophobicContact CD1-CB 4.39Å; C673-P705 WeakPolarHBondContact SG-CG 3.31Å; P705-A709 VanDerWaalsContact O-CB 3.28Å; P705-A709 WeakPolarHBondContact O-CB 3.4Å; P705-A709 PolarHBondContact O-N 3.49Å
706G77.2Confident83.6Confident15 Ų1524.3 Ų24.316%0.15514%0.139CC..Hα-helixtrans-65.6-48.1176.100000113.1T704 A709 L710T704-G706 PolarHBondContact O-N 2.9Å; G706-A709 PolarHBondContact O-N 3Å; G706-L710 PolarHBondContact O-N 2.8Å; G706-L710 VanDerWaalsContact O-N 3.1Å
707R86.5Confident83.2Confident19 Ų1927.7 Ų27.77%0.07216%0.155CC..Hα-helixtrans-62-44.6175.4-71.9-177.173.1103.5-11.7111.6D609 D613 F654 T658 R702 T704 A709 L710 C711D609-R707 IonicContact OD2-CZ 3.13Å; D609-R707 IonicContact OD2-NH1 2.85Å; D609-R707 IonicContact OD2-NH2 2.66Å; D609-R707 PolarHBondContact OD2-NH2 3.15Å; D613-R707 IonicContact OD2-CZ 3.72Å; D613-R707 IonicContact OD2-NE 3.53Å; D613-R707 PolarHBondContact OD2-NE 3.01Å; D613-R707 IonicContact OD2-NH2 3.62Å; D613-R707 PolarHBondContact OD2-NH2 2.94Å; F654-R707 HydrophobicContact CD1-CB 4.49Å; F654-R707 HydrophobicContact CD1-CG 3.93Å; F654-R707 VanDerWaalsContact CD1-CZ 3.4Å; F654-R707 HydrophobicContact CE1-CB 4.33Å; F654-R707 HydrophobicContact CE1-CG 4.24Å; T658-R707 HydrophobicContact CG2-CG 4.12Å; R702-R707 WeakPolarHBondContact O-CD 3.4Å; T704-R707 PolarHBondContact O-N 2.76Å; T704-R707 WeakPolarHBondContact OG1-CB 3.47Å; T704-R707 WeakPolarHBondContact OG1-CG 3.26Å; T704-R707 PolarHBondContact OG1-N 2.81Å; T704-R707 VanDerWaalsContact OG1-N 3.12Å; R707-A709 PolarHBondContact O-N 3.22Å; R707-L710 PolarHBondContact O-N 3.3Å; R707-C711 PolarHBondContact O-N 3.01Å; R707-C711 PolarHBondContact O-SG 2.74Å
708L83.9Confident83.3Confident7 Ų728.6 Ų28.64%0.03716%0.158CC..Hα-helixtrans-62.1-45.2177.5179.667.3000111.1T617 L672 L675 L676 F699 T704 L710 C711 L712T617-L708 HydrophobicContact CG2-CD1 4.17Å; L672-L708 HydrophobicContact CD2-CD2 4.2Å; L675-L708 HydrophobicContact CD2-CD2 4.1Å; L675-L708 HydrophobicContact CG-CD2 4.36Å; L676-L708 HydrophobicContact CD1-CB 4.26Å; L676-L708 HydrophobicContact CD1-CD2 4.09Å; L676-L708 HydrophobicContact CD2-CB 4.19Å; L676-L708 HydrophobicContact CD2-CD1 4.29Å; L676-L708 HydrophobicContact CD2-CD2 3.55Å; L676-L708 HydrophobicContact CD2-CG 4.19Å; L676-L708 HydrophobicContact CG-CB 4.38Å; L676-L708 HydrophobicContact CG-CD2 3.43Å; L676-L708 VanDerWaalsContact CG-CD2 3.43Å; L676-L708 HydrophobicContact CG-CG 4.41Å; F699-L708 HydrophobicContact CZ-CD1 4.37Å; T704-L708 WeakPolarHBondContact O-CB 3.38Å; T704-L708 PolarHBondContact O-N 3.33Å; L708-L710 VanDerWaalsContact C-N 3.27Å; L708-L710 PolarHBondContact O-N 2.97Å; L708-C711 PolarHBondContact O-N 2.95Å; L708-L712 HydrophobicContact CD1-CD1 4.17Å; L708-L712 HydrophobicContact CD1-CD2 4.32Å; L708-L712 HydrophobicContact CD1-CG 3.89Å; L708-L712 HydrophobicContact CD2-CD1 4.05Å; L708-L712 HydrophobicContact CG-CD1 3.75Å; L708-L712 HydrophobicContact CG-CG 3.95Å; L708-L712 WeakPolarHBondContact O-CB 3.26Å; L708-L712 VanDerWaalsContact O-CG 3.24Å; L708-L712 WeakPolarHBondContact O-CG 3.31Å; L708-L712 PolarHBondContact O-N 2.81Å
709A80.1Confident82.9Confident8 Ų828 Ų287%0.06616%0.155CC..Hα-helixtrans-57-43.4178.100000111.8Y639 L672 P705 G706 R707 N713Y639-A709 HydrophobicContact CE2-CB 4.4Å; L672-A709 HydrophobicContact CD1-CB 3.82Å; L672-A709 HydrophobicContact CD2-CB 4.43Å; P705-A709 VanDerWaalsContact O-CB 3.28Å; P705-A709 WeakPolarHBondContact O-CB 3.4Å; P705-A709 PolarHBondContact O-N 3.49Å; G706-A709 PolarHBondContact O-N 3Å; R707-A709 PolarHBondContact O-N 3.22Å; A709-N713 WeakPolarHBondContact O-CB 3.45Å; A709-N713 PolarHBondContact O-N 3.41Å
710L84.5Confident81.6Confident12 Ų1230.4 Ų30.46%0.06317%0.172CC..Hα-helixtrans-62.6-51.3176.2178.359.4000111.6E653 F654 G706 R707 L708 L712 N713 I714E653-L710 HydrophobicContact CB-CD1 4.26Å; E653-L710 HydrophobicContact CB-CD2 3.8Å; E653-L710 WeakPolarHBondContact OE2-CD1 3.23Å; F654-L710 HydrophobicContact CB-CD2 4.46Å; F654-L710 HydrophobicContact CD1-CD2 4.08Å; F654-L710 HydrophobicContact CD2-CD2 3.48Å; F654-L710 VanDerWaalsContact CD2-CD2 3.48Å; F654-L710 HydrophobicContact CE1-CD2 4.22Å; F654-L710 HydrophobicContact CE2-CD2 3.63Å; F654-L710 HydrophobicContact CE2-CG 4.33Å; F654-L710 HydrophobicContact CG-CD2 3.73Å; F654-L710 HydrophobicContact CZ-CD2 4.01Å; F654-L710 HydrophobicContact CZ-CG 4.49Å; G706-L710 PolarHBondContact O-N 2.8Å; G706-L710 VanDerWaalsContact O-N 3.1Å; R707-L710 PolarHBondContact O-N 3.3Å; L708-L710 VanDerWaalsContact C-N 3.27Å; L708-L710 PolarHBondContact O-N 2.97Å; L710-L712 VanDerWaalsContact C-N 3.33Å; L710-L712 PolarHBondContact O-N 2.89Å; L710-N713 PolarHBondContact O-N 3.19Å; L710-I714 HydrophobicContact CD1-CD1 3.94Å; L710-I714 HydrophobicContact CD1-CG1 4.34Å; L710-I714 HydrophobicContact CG-CD1 3.97Å; L710-I714 WeakPolarHBondContact O-CG1 3.47Å; L710-I714 PolarHBondContact O-N 3.09Å
711C88.6Confident80Confident0 Ų032.4 Ų32.40%018%0.181CC..Hα-helixtrans-60.3-42.2178.3-63.40000112.1I614 T617 R707 L708 N713 I714 V715I614-C711 HydrophobicContact CG1-CB 4.33Å; T617-C711 HydrophobicContact CG2-CB 3.84Å; T617-C711 WeakPolarHBondContact OG1-CB 3.19Å; R707-C711 PolarHBondContact O-N 3.01Å; R707-C711 PolarHBondContact O-SG 2.74Å; L708-C711 PolarHBondContact O-N 2.95Å; C711-N713 VanDerWaalsContact C-N 3.34Å; C711-I714 PolarHBondContact O-N 3Å; C711-V715 WeakPolarHBondContact O-CB 3.43Å; C711-V715 VanDerWaalsContact O-CG2 3.27Å; C711-V715 WeakPolarHBondContact O-CG2 3.27Å; C711-V715 PolarHBondContact O-N 2.73Å
712L82.8Confident77.8Confident18 Ų1834 Ų349%0.09418%0.182CC..Hα-helixtrans-61.3-43.5176.2-74.1175.4000111.1T617 I621 F633 L672 L675 L708 L710 H716T617-L712 HydrophobicContact CG2-CD2 3.7Å; T617-L712 HydrophobicContact CG2-CG 4.14Å; I621-L712 HydrophobicContact CD1-CD2 3.7Å; I621-L712 HydrophobicContact CG1-CD2 4.05Å; F633-L712 HydrophobicContact CD1-CD2 4.43Å; F633-L712 HydrophobicContact CE1-CD2 3.83Å; L672-L712 HydrophobicContact CD2-CD1 3.84Å; L675-L712 HydrophobicContact CD2-CD1 3.98Å; L708-L712 HydrophobicContact CD1-CD1 4.17Å; L708-L712 HydrophobicContact CD1-CD2 4.32Å; L708-L712 HydrophobicContact CD1-CG 3.89Å; L708-L712 HydrophobicContact CD2-CD1 4.05Å; L708-L712 HydrophobicContact CG-CD1 3.75Å; L708-L712 HydrophobicContact CG-CG 3.95Å; L708-L712 WeakPolarHBondContact O-CB 3.26Å; L708-L712 VanDerWaalsContact O-CG 3.24Å; L708-L712 WeakPolarHBondContact O-CG 3.31Å; L708-L712 PolarHBondContact O-N 2.81Å; L710-L712 VanDerWaalsContact C-N 3.33Å; L710-L712 PolarHBondContact O-N 2.89Å; L712-H716 WeakPolarHBondContact O-CB 3.28Å; L712-H716 PolarHBondContact O-N 3.44Å
713N78.7Confident75.5Confident22 Ų2234.8 Ų34.812%0.11819%0.187CC..Hα-helixtrans-62.5-45.7178.2-174.356000111.4A709 L710 C711 H716 Q717A709-N713 WeakPolarHBondContact O-CB 3.45Å; A709-N713 PolarHBondContact O-N 3.41Å; L710-N713 PolarHBondContact O-N 3.19Å; C711-N713 VanDerWaalsContact C-N 3.34Å; N713-H716 PolarHBondContact O-N 3.22Å; N713-Q717 PolarHBondContact ND2-NE2 3.01Å; N713-Q717 WeakPolarHBondContact O-CB 3.3Å; N713-Q717 VanDerWaalsContact O-CG 3.26Å; N713-Q717 WeakPolarHBondContact O-CG 2.96Å; N713-Q717 PolarHBondContact O-N 3.25Å
714I85Confident73Confident2 Ų240.9 Ų40.91%0.0121%0.211CC..Hα-helixtrans-61.9-51.8177.8-66.4164.3000110.6W592 I614 L650 L710 C711 H716 Q717 L718W592-I714 HydrophobicContact CH2-CG2 4.17Å; W592-I714 HydrophobicContact CZ2-CG2 4.16Å; W592-I714 HydrophobicContact CZ3-CG2 4.42Å; I614-I714 HydrophobicContact CD1-CD1 3.74Å; I614-I714 HydrophobicContact CD1-CG2 4.42Å; I614-I714 HydrophobicContact CG1-CD1 4.21Å; I614-I714 HydrophobicContact CG2-CG2 4.16Å; L650-I714 HydrophobicContact CD1-CD1 3.38Å; L710-I714 HydrophobicContact CD1-CD1 3.94Å; L710-I714 HydrophobicContact CD1-CG1 4.34Å; L710-I714 HydrophobicContact CG-CD1 3.97Å; L710-I714 WeakPolarHBondContact O-CG1 3.47Å; L710-I714 PolarHBondContact O-N 3.09Å; C711-I714 PolarHBondContact O-N 3Å; I714-H716 VanDerWaalsContact C-N 3.29Å; I714-H716 PolarHBondContact O-N 3.31Å; I714-Q717 PolarHBondContact O-N 2.79Å; I714-L718 HydrophobicContact CG2-CD1 3.6Å; I714-L718 HydrophobicContact CG2-CG 4.35Å; I714-L718 WeakPolarHBondContact O-CB 3.49Å; I714-L718 VanDerWaalsContact O-CG 3.25Å; I714-L718 WeakPolarHBondContact O-CG 3.43Å; I714-L718 PolarHBondContact O-N 2.91Å
715V85.5Confident70.6Confident2 Ų246 Ų461%0.01223%0.231CC..Hα-helixtrans-60.7-42179.6175.80000110.6I589 I614 T617 W618 I621 C711 L718 E719I589-V715 HydrophobicContact CD1-CG2 3.92Å; I614-V715 HydrophobicContact CG2-CG2 4.15Å; T617-V715 HydrophobicContact CG2-CG2 4.24Å; W618-V715 HydrophobicContact CB-CG1 4.28Å; W618-V715 HydrophobicContact CB-CG2 4.12Å; W618-V715 HydrophobicContact CG-CG1 4.45Å; I621-V715 HydrophobicContact CD1-CB 3.83Å; I621-V715 HydrophobicContact CD1-CG1 3.43Å; I621-V715 VanDerWaalsContact CD1-CG1 3.43Å; C711-V715 WeakPolarHBondContact O-CB 3.43Å; C711-V715 VanDerWaalsContact O-CG2 3.27Å; C711-V715 WeakPolarHBondContact O-CG2 3.27Å; C711-V715 PolarHBondContact O-N 2.73Å; V715-L718 PolarHBondContact O-N 3.37Å; V715-E719 HydrophobicContact CG1-CB 4.5Å; V715-E719 HydrophobicContact CG1-CG 4.01Å; V715-E719 WeakPolarHBondContact O-CB 2.72Å; V715-E719 WeakPolarHBondContact O-CG 2.97Å; V715-E719 PolarHBondContact O-N 3.21Å
716H76.7Confident68.5Low69 Ų6946.8 Ų46.832%0.31924%0.236SC..Hα-helixtrans-62.1-50.2177.3-178.5-88.8000111.5L712 N713 I714 L718 C720 F723L712-H716 WeakPolarHBondContact O-CB 3.28Å; L712-H716 PolarHBondContact O-N 3.44Å; N713-H716 PolarHBondContact O-N 3.22Å; I714-H716 VanDerWaalsContact C-N 3.29Å; I714-H716 PolarHBondContact O-N 3.31Å; H716-L718 VanDerWaalsContact C-N 3.31Å; H716-L718 PolarHBondContact O-N 2.62Å; H716-C720 PolarHBondContact CE1-SG 2.95Å; H716-C720 PolarHBondContact ND1-SG 3.2Å; H716-C720 VanDerWaalsContact O-CA 3.23Å; H716-C720 WeakPolarHBondContact O-CA 2.82Å; H716-C720 WeakPolarHBondContact O-CB 3.04Å; H716-C720 PolarHBondContact O-N 3.16Å; H716-C720 PolarHBondContact O-SG 2.84Å; H716-F723 AromaticContact NE2-CE2 3.53Å; H716-F723 AromaticContact NE2-CZ 3.99Å
717Q76.9Confident66.3Low78 Ų7851.7 Ų51.736%0.36426%0.258SS..Hα-helixtrans-60.1-39.8179.5-74.8178.2-12.600112.7L643 N713 I714L643-Q717 PolarHBondContact O-NE2 3.49Å; N713-Q717 PolarHBondContact ND2-NE2 3.01Å; N713-Q717 WeakPolarHBondContact O-CB 3.3Å; N713-Q717 VanDerWaalsContact O-CG 3.26Å; N713-Q717 WeakPolarHBondContact O-CG 2.96Å; N713-Q717 PolarHBondContact O-N 3.25Å; I714-Q717 PolarHBondContact O-N 2.79Å
718L83.6Confident63.7Low33 Ų3358.1 Ų58.117%0.17329%0.294CS..Hα-helixtrans-77.8-47.4-177.8-66.1173.5000112.2K588 I589 W592 I714 V715 H716K588-L718 WeakPolarHBondContact CB-O 3.3Å; K588-L718 WeakPolarHBondContact CD-O 3.31Å; I589-L718 HydrophobicContact CB-CD1 4.37Å; I589-L718 HydrophobicContact CG1-CD1 4.31Å; W592-L718 HydrophobicContact CB-CD1 3.67Å; W592-L718 HydrophobicContact CB-CD2 3.85Å; W592-L718 HydrophobicContact CB-CG 4.4Å; W592-L718 HydrophobicContact CD2-CD1 3.6Å; W592-L718 HydrophobicContact CE3-CD1 3.99Å; W592-L718 HydrophobicContact CG-CD1 3.45Å; W592-L718 VanDerWaalsContact CG-CD1 3.45Å; W592-L718 HydrophobicContact CG-CD2 3.76Å; W592-L718 HydrophobicContact CG-CG 4.25Å; I714-L718 HydrophobicContact CG2-CD1 3.6Å; I714-L718 HydrophobicContact CG2-CG 4.35Å; I714-L718 WeakPolarHBondContact O-CB 3.49Å; I714-L718 VanDerWaalsContact O-CG 3.25Å; I714-L718 WeakPolarHBondContact O-CG 3.43Å; I714-L718 PolarHBondContact O-N 2.91Å; V715-L718 PolarHBondContact O-N 3.37Å; H716-L718 VanDerWaalsContact C-N 3.31Å; H716-L718 PolarHBondContact O-N 2.62Å
719E78Confident61.1Low23 Ų2364.4 Ų64.411%0.10734%0.338CS..Hα-helixtrans-87.6-27.9-171.3-64.9-66129.200112.8K588 I589 W618 V715 F721K588-E719 PolarHBondContact N-OE1 3.35Å; I589-E719 WeakPolarHBondContact CB-OE1 3.38Å; I589-E719 WeakPolarHBondContact CG2-OE1 3.3Å; I589-E719 PolarHBondContact N-OE1 2.81Å; W618-E719 VanDerWaalsContact NE1-CD 3.26Å; W618-E719 PolarHBondContact NE1-OE2 3.32Å; V715-E719 HydrophobicContact CG1-CB 4.5Å; V715-E719 HydrophobicContact CG1-CG 4.01Å; V715-E719 WeakPolarHBondContact O-CB 2.72Å; V715-E719 WeakPolarHBondContact O-CG 2.97Å; V715-E719 PolarHBondContact O-N 3.21Å; E719-F721 HydrophobicContact CB-CD2 4.49Å; E719-F721 HydrophobicContact CB-CE2 4.02Å; E719-F721 HydrophobicContact CB-CZ 4.32Å; E719-F721 PolarHBondContact O-N 2.9Å
720C62.3Low60.1Low53 Ų5367.2 Ų67.236%0.35835%0.352SS..  trans-7.579.8-172.6-116.50000111.4H716 D722H716-C720 PolarHBondContact CE1-SG 2.95Å; H716-C720 PolarHBondContact ND1-SG 3.2Å; H716-C720 VanDerWaalsContact O-CA 3.23Å; H716-C720 WeakPolarHBondContact O-CA 2.82Å; H716-C720 WeakPolarHBondContact O-CB 3.04Å; H716-C720 PolarHBondContact O-N 3.16Å; H716-C720 PolarHBondContact O-SG 2.84Å; C720-D722 PolarHBondContact O-N 2.9Å
721F52.8Low58.8Low72 Ų7270.1 Ų70.132%0.31637%0.367SS..  trans-48.1138.3174.5-62-85.2000106.4I621 E719 F723I621-F721 HydrophobicContact CG2-CE2 4.44Å; E719-F721 HydrophobicContact CB-CD2 4.49Å; E719-F721 HydrophobicContact CB-CE2 4.02Å; E719-F721 HydrophobicContact CB-CZ 4.32Å; E719-F721 PolarHBondContact O-N 2.9Å; F721-F723 VanDerWaalsContact C-N 3.25Å; F721-F723 WeakPolarHBondContact O-CD2 3.38Å; F721-F723 PolarHBondContact O-N 3.5Å
722D40Very low57.2Low123 Ų12374 Ų7466%0.65839%0.387SS*.  trans-44.491.6175.6-86.8-40.9000110.6C720 Q724 H725C720-D722 PolarHBondContact O-N 2.9Å; D722-Q724 PolarHBondContact O-N 3.32Å; D722-H725 PolarHBondContact O-N 3.37Å; D722-H725 VanDerWaalsContact O-N 3.07Å
723F37.1Very low55.7Low71 Ų7177.3 Ų77.331%0.31140%0.404SS..THydrogen-bonded Turntrans-66.7-14-177-105.9-86.8000109.9H716 F721 L727H716-F723 AromaticContact NE2-CE2 3.53Å; H716-F723 AromaticContact NE2-CZ 3.99Å; F721-F723 VanDerWaalsContact C-N 3.25Å; F721-F723 WeakPolarHBondContact O-CD2 3.38Å; F721-F723 PolarHBondContact O-N 3.5Å; F723-L727 PolarHBondContact O-N 3.34Å
724Q30.9Very low54.2Low156 Ų15680.8 Ų80.873%0.72942%0.422SS*.Hα-helixtrans-70.4-27.8173.8-92161.5-39.400113.7D722D722-Q724 PolarHBondContact O-N 3.32Å
725H34.1Very low52.2Low154 Ų15486 Ų8671%0.71345%0.45SS*.Hα-helixtrans-85.8-11.4-179.3-112.4-65.5000114.7D722D722-H725 PolarHBondContact O-N 3.37Å; D722-H725 VanDerWaalsContact O-N 3.07Å
726V34.4Very low49.8Very low46 Ų4692 Ų9228%0.27948%0.481SS..Hα-helixtrans-113-4.9-175.1-178.30000112.7V630V630-V726 HydrophobicContact CG1-CG1 4.31Å
727L30.3Very low47.7Very low118 Ų11893.8 Ų93.862%0.61849%0.494SS*.Hα-helixtrans-90.5-18.1167.2-74.8167.9000112.5F723F723-L727 PolarHBondContact O-N 3.34Å
728D31.6Very low45.3Very low153 Ų15395.1 Ų95.182%0.81850%0.504SS*.  trans-95.91177.2-71.3-15.7000113.9
729S28.5Very low41.8Very low139 Ų139100.7 Ų100.797%0.97253%0.534SS*.  trans-119.7017372.60000111.4

Retrieved 729 of 729 residues in 280.1 ms (Link to these results)

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