A0A5K4F9J8_SCHMA Loading...

Regulatory protein SIR2 homolog 7

AlphaFold DB , UniProt , Accession A0A5K4F9J8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 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
1M95.6Very high96.2Very high71 Ų7153.1 Ų53.135%0.3528%0.276SS..  0-45.10-66.2-55.5-75.400113.3I3 K4 V5 V363 P364 Y366M1-I3 PolarHBondContact O-N 3.42Å; M1-K4 WeakPolarHBondContact O-CB 3.48Å; M1-K4 PolarHBondContact O-N 2.99Å; M1-V5 PolarHBondContact O-N 2.81Å; M1-V363 HydrophobicContact CB-CG1 3.49Å; M1-V363 VanDerWaalsContact CB-CG1 3.49Å; M1-P364 WeakPolarHBondContact CB-O 3.24Å; M1-P364 HydrophobicContact CE-CG 4.16Å; M1-P364 VanDerWaalsContact CG-O 3.25Å; M1-P364 WeakPolarHBondContact CG-O 3.39Å; M1-Y366 HydrophobicContact SD-CD2 4.37Å
2A97Very high96.2Very high13 Ų1352.1 Ų52.111%0.10727%0.274CS..Hα-helixtrans-47.9-47-176.500000115.6K4 V5 L6 F351 M355 V363A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.11Å; A2-V5 WeakPolarHBondContact O-CB 3.45Å; A2-V5 PolarHBondContact O-N 3.49Å; A2-V5 VanDerWaalsContact O-N 3.11Å; A2-L6 WeakPolarHBondContact O-CG 3.17Å; A2-L6 PolarHBondContact O-N 2.95Å; A2-F351 HydrophobicContact CB-CB 3.83Å; A2-F351 HydrophobicContact CB-CD1 4.03Å; A2-F351 HydrophobicContact CB-CG 4Å; A2-M355 HydrophobicContact CB-CG 4.05Å; A2-V363 HydrophobicContact CB-CG1 4.3Å; A2-V363 HydrophobicContact CB-CG2 4.11Å
3I97Very high96.1Very high49 Ų4953.7 Ų53.725%0.25127%0.274SS..Hα-helixtrans-57.8-39.8177.7-66.5172.2000112.2M1 L6 V7 V15 L29 F351M1-I3 PolarHBondContact O-N 3.42Å; I3-L6 PolarHBondContact O-N 2.92Å; I3-V7 VanDerWaalsContact O-CG2 3.3Å; I3-V7 WeakPolarHBondContact O-CG2 3.21Å; I3-V7 PolarHBondContact O-N 3.11Å; I3-V7 VanDerWaalsContact O-N 3.13Å; I3-V15 HydrophobicContact CG2-CG1 4.46Å; I3-V15 HydrophobicContact CG2-CG2 3.68Å; I3-L29 HydrophobicContact CG2-CD1 4.2Å; I3-F351 HydrophobicContact CD1-CE2 4.48Å; I3-F351 HydrophobicContact CD1-CZ 4.39Å; I3-F351 HydrophobicContact CG1-CE1 4.38Å; I3-F351 HydrophobicContact CG1-CE2 4.36Å; I3-F351 HydrophobicContact CG1-CZ 3.98Å
4K96.9Very high96.1Very high48 Ų4851.9 Ų51.921%0.20926%0.264CS..Hα-helixtrans-64.7-43.3177.4179.2-90.6-172.6-171.90110.7M1 A2 V7 D8 L29M1-K4 WeakPolarHBondContact O-CB 3.48Å; M1-K4 PolarHBondContact O-N 2.99Å; A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.11Å; K4-V7 WeakPolarHBondContact O-CB 3.49Å; K4-V7 PolarHBondContact O-N 3.1Å; K4-D8 VanDerWaalsContact CD-OD2 3.23Å; K4-D8 WeakPolarHBondContact CD-OD2 3.24Å; K4-D8 WeakPolarHBondContact CE-OD2 3.13Å; K4-D8 IonicContact NZ-OD2 2.76Å; K4-D8 PolarHBondContact NZ-OD2 3.06Å; K4-D8 PolarHBondContact O-N 3.13Å; K4-L29 HydrophobicContact CB-CB 4.37Å; K4-L29 HydrophobicContact CB-CD1 4.46Å; K4-L29 HydrophobicContact CG-CB 4.11Å
5V97.7Very high96.2Very high9 Ų949.3 Ų49.36%0.05525%0.252CS..Hα-helixtrans-62.7-45.7176.5-1800000111.1M1 A2 V7 D8 E9 M355 I361 V363 P364M1-V5 PolarHBondContact O-N 2.81Å; A2-V5 WeakPolarHBondContact O-CB 3.45Å; A2-V5 PolarHBondContact O-N 3.49Å; A2-V5 VanDerWaalsContact O-N 3.11Å; V5-V7 PolarHBondContact O-N 2.83Å; V5-V7 VanDerWaalsContact O-N 3.17Å; V5-D8 PolarHBondContact O-N 2.86Å; V5-E9 HydrophobicContact CG1-CG 3.95Å; V5-E9 WeakPolarHBondContact O-CB 3.49Å; V5-E9 WeakPolarHBondContact O-CG 3.22Å; V5-E9 PolarHBondContact O-N 3.39Å; V5-M355 HydrophobicContact CB-CE 3.94Å; V5-M355 HydrophobicContact CG1-CE 3.62Å; V5-I361 HydrophobicContact CG1-CG2 3.44Å; V5-I361 VanDerWaalsContact CG1-CG2 3.44Å; V5-V363 HydrophobicContact CG2-CG1 4.4Å; V5-P364 HydrophobicContact CG2-CG 4.43Å
6L97.6Very high96.1Very high17 Ų1750.1 Ų50.19%0.08926%0.259CS..Hα-helixtrans-58-31.4175.7-71.7170.1000113.1A2 I3 G10 Y11 V12 F351 M355 L359A2-L6 WeakPolarHBondContact O-CG 3.17Å; A2-L6 PolarHBondContact O-N 2.95Å; I3-L6 PolarHBondContact O-N 2.92Å; L6-G10 PolarHBondContact O-N 2.97Å; L6-Y11 HydrophobicContact CD2-CD2 4.14Å; L6-Y11 HydrophobicContact CD2-CG 4.11Å; L6-Y11 PolarHBondContact O-N 2.98Å; L6-V12 HydrophobicContact CB-CB 4.37Å; L6-V12 HydrophobicContact CB-CG2 3.82Å; L6-V12 HydrophobicContact CD1-CG2 4.5Å; L6-V12 PolarHBondContact O-N 3.06Å; L6-F351 HydrophobicContact CD1-CD1 4.18Å; L6-F351 HydrophobicContact CD1-CE1 3.77Å; L6-M355 HydrophobicContact CD1-SD 4.26Å; L6-M355 HydrophobicContact CD2-CE 4.39Å; L6-M355 HydrophobicContact CD2-SD 3.64Å; L6-M355 HydrophobicContact CG-CE 4.39Å; L6-M355 HydrophobicContact CG-SD 3.77Å; L6-L359 HydrophobicContact CD2-CD1 3.55Å
7V96.9Very high95.9Very high0 Ų047.6 Ų47.60%025%0.247CC..Hα-helixtrans-75.1-38.9175.8169.70000112.3I3 K4 V5 G10 V12 V15 L29 K33I3-V7 VanDerWaalsContact O-CG2 3.3Å; I3-V7 WeakPolarHBondContact O-CG2 3.21Å; I3-V7 PolarHBondContact O-N 3.11Å; I3-V7 VanDerWaalsContact O-N 3.13Å; K4-V7 WeakPolarHBondContact O-CB 3.49Å; K4-V7 PolarHBondContact O-N 3.1Å; V5-V7 PolarHBondContact O-N 2.83Å; V5-V7 VanDerWaalsContact O-N 3.17Å; V7-G10 PolarHBondContact O-N 2.84Å; V7-V12 WeakPolarHBondContact CA-O 3.17Å; V7-V12 HydrophobicContact CG2-CB 3.71Å; V7-V12 HydrophobicContact CG2-CG1 3.65Å; V7-V15 HydrophobicContact CG2-CG2 3.72Å; V7-L29 HydrophobicContact CG2-CD1 4.12Å; V7-K33 HydrophobicContact CG1-CB 4.14Å; V7-K33 HydrophobicContact CG1-CD 3.32Å; V7-K33 HydrophobicContact CG1-CG 4.39Å; V7-K33 PolarHBondContact O-NZ 3.29Å
8D96.1Very high95.6Very high78 Ų7847.2 Ų47.242%0.41724%0.244SC..Hα-helixtrans-69.6-42.8178.1-68.8-12.3000111.2K4 V5 G10K4-D8 VanDerWaalsContact CD-OD2 3.23Å; K4-D8 WeakPolarHBondContact CD-OD2 3.24Å; K4-D8 WeakPolarHBondContact CE-OD2 3.13Å; K4-D8 IonicContact NZ-OD2 2.76Å; K4-D8 PolarHBondContact NZ-OD2 3.06Å; K4-D8 PolarHBondContact O-N 3.13Å; V5-D8 PolarHBondContact O-N 2.86Å; D8-G10 PolarHBondContact O-N 3.35Å
9E96Very high95.4Very high114 Ų11448.6 Ų48.653%0.53325%0.252SS..THydrogen-bonded Turntrans-74-3176.4-65.2-59.3141.400113.1V5 Y11 I361V5-E9 HydrophobicContact CG1-CG 3.95Å; V5-E9 WeakPolarHBondContact O-CB 3.49Å; V5-E9 WeakPolarHBondContact O-CG 3.22Å; V5-E9 PolarHBondContact O-N 3.39Å; E9-Y11 VanDerWaalsContact C-N 3.34Å; E9-Y11 HydrophobicContact CB-CD2 3.7Å; E9-Y11 HydrophobicContact CB-CE2 3.93Å; E9-Y11 PolarHBondContact O-N 2.94Å; E9-I361 HydrophobicContact CB-CD1 4.2Å; E9-I361 HydrophobicContact CG-CD1 3.85Å; E9-I361 HydrophobicContact CG-CG2 4.35Å
10G93.7Very high95.3Very high47 Ų4748.1 Ų48.149%0.48525%0.251SS..THydrogen-bonded Turntrans80.64.1173.700000115.9L6 V7 D8 V12L6-G10 PolarHBondContact O-N 2.97Å; V7-G10 PolarHBondContact O-N 2.84Å; D8-G10 PolarHBondContact O-N 3.35Å; G10-V12 VanDerWaalsContact C-N 3.31Å
11Y94.5Very high95.2Very high138 Ų13849 Ų4954%0.54126%0.256SS..SBendtrans-67.2-32.3172.5-70.7-85.2000112.6L6 E9 L359 I361L6-Y11 HydrophobicContact CD2-CD2 4.14Å; L6-Y11 HydrophobicContact CD2-CG 4.11Å; L6-Y11 PolarHBondContact O-N 2.98Å; E9-Y11 VanDerWaalsContact C-N 3.34Å; E9-Y11 HydrophobicContact CB-CD2 3.7Å; E9-Y11 HydrophobicContact CB-CE2 3.93Å; E9-Y11 PolarHBondContact O-N 2.94Å; Y11-L359 HydrophobicContact CE1-CD1 4.49Å; Y11-L359 HydrophobicContact CE1-CD2 3.77Å; Y11-L359 HydrophobicContact CE2-CD1 4.44Å; Y11-I361 HydrophobicContact CD2-CD1 4.29Å; Y11-I361 HydrophobicContact CE2-CD1 3.53Å
12V95.6Very high95.1Very high41 Ų4145.7 Ų45.725%0.24824%0.24CC..  trans-118.6115.1-179.9176.30000109.8L6 V7 G10 H14 V15L6-V12 HydrophobicContact CB-CB 4.37Å; L6-V12 HydrophobicContact CB-CG2 3.82Å; L6-V12 HydrophobicContact CD1-CG2 4.5Å; L6-V12 PolarHBondContact O-N 3.06Å; V7-V12 WeakPolarHBondContact CA-O 3.17Å; V7-V12 HydrophobicContact CG2-CB 3.71Å; V7-V12 HydrophobicContact CG2-CG1 3.65Å; G10-V12 VanDerWaalsContact C-N 3.31Å; V12-H14 WeakPolarHBondContact CG1-O 3.43Å; V12-V15 HydrophobicContact CG1-CG2 3.97Å
13R94.5Very high95Very high73 Ų7349.6 Ų49.628%0.27526%0.259SS..SBendtrans-75.3-30.1179.372.8-179.4-1751761.1114.1A187 T262R13-A187 VanDerWaalsContact CZ-O 3.24Å; R13-A187 PolarHBondContact NE-O 2.89Å; R13-A187 VanDerWaalsContact NE-O 3.08Å; R13-A187 PolarHBondContact NH2-O 2.9Å; R13-T262 PolarHBondContact NH1-O 3.47Å; R13-T262 PolarHBondContact NH2-O 2.97Å
14H96.7Very high94.9Very high28 Ų2848.2 Ų48.213%0.1325%0.251CS..  trans-156.7145.2-175.4-156.785000112.1V12 K33 S35 A187V12-H14 WeakPolarHBondContact CG1-O 3.43Å; H14-K33 CarbonylContact C-O 3.56Å; H14-K33 WeakPolarHBondContact CA-O 3.42Å; H14-K33 VanDerWaalsContact CE1-C 3.45Å; H14-S35 PolarHBondContact NE2-OG 2.86Å; H14-A187 HydrophobicContact CB-CB 3.32Å; H14-A187 VanDerWaalsContact CG-CB 3.48Å
15V96.8Very high94.8Very high14 Ų1446.4 Ų46.49%0.08524%0.244CC..EExtended strand (participates in β ladder)trans-115.9128.5175.81760000109.7I3 V7 V12 L29 K33 L34 S35I3-V15 HydrophobicContact CG2-CG1 4.46Å; I3-V15 HydrophobicContact CG2-CG2 3.68Å; V7-V15 HydrophobicContact CG2-CG2 3.72Å; V12-V15 HydrophobicContact CG1-CG2 3.97Å; V15-L29 HydrophobicContact CB-CD1 4.3Å; V15-L29 HydrophobicContact CG2-CD1 3.86Å; V15-K33 PolarHBondContact N-O 2.96Å; V15-L34 HydrophobicContact CB-CD1 4.07Å; V15-L34 HydrophobicContact CG1-CD1 3.89Å; V15-L34 CarbonylContact O-C 3.51Å; V15-L34 WeakPolarHBondContact O-CA 3.38Å; V15-S35 PolarHBondContact O-N 2.82Å
16V94.9Very high94.7Very high62 Ų6248.6 Ų48.638%0.37625%0.251SS..EExtended strand (participates in β ladder)trans-113.3120.1173.5-177.70000108S35 L37 A184 L283V16-S35 WeakPolarHBondContact CA-O 3.47Å; V16-L37 HydrophobicContact CG1-CD1 3.49Å; V16-L37 VanDerWaalsContact CG1-CD1 3.49Å; V16-L37 HydrophobicContact CG1-CD2 3.89Å; V16-L37 HydrophobicContact CG1-CG 3.61Å; V16-A184 HydrophobicContact CG2-CB 3.76Å; V16-L283 HydrophobicContact CG1-CD1 4.03Å
17S93.6Very high94.6Very high8 Ų848.6 Ų48.66%0.05625%0.253CS..EExtended strand (participates in β ladder)trans-120.4144-176.9-165.60000112N19 H24 S35 E36 L37S17-N19 WeakPolarHBondContact OG-CB 3.44Å; S17-N19 PolarHBondContact OG-N 3.42Å; S17-N19 VanDerWaalsContact OG-N 3.15Å; S17-H24 PolarHBondContact OG-NE2 3.35Å; S17-S35 PolarHBondContact N-O 2.83Å; S17-E36 CarbonylContact O-C 3.53Å; S17-L37 PolarHBondContact O-N 3.36Å
18Q90.3Very high94.5Very high39 Ų3950.1 Ų50.118%0.18227%0.269CS..  trans-100.4-4.4167.7-74.1176.995.600111.7L37 H38 S272Q18-L37 HydrophobicContact CG-CD1 4.29Å; Q18-H38 PolarHBondContact O-ND1 3.33Å; Q18-H38 PolarHBondContact OE1-CE1 3.1Å; Q18-S272 PolarHBondContact NE2-OG 2.98Å
19N91.3Very high94.6Very high75 Ų7546.6 Ų46.640%0.40125%0.25SC..  trans-71.3145.7176.2-63.10.1000108.9S17 D21S17-N19 WeakPolarHBondContact OG-CB 3.44Å; S17-N19 PolarHBondContact OG-N 3.42Å; S17-N19 VanDerWaalsContact OG-N 3.15Å; N19-D21 WeakPolarHBondContact CB-OD1 3.39Å
20V92.7Very high94.5Very high38 Ų3843.7 Ų43.723%0.2324%0.242CC..  trans-112-5.6178.2-62.10000112.1G22 H38 N40 L41 V163V20-G22 PolarHBondContact O-N 3.36Å; V20-H38 HydrophobicContact CG1-CB 3.45Å; V20-H38 VanDerWaalsContact CG1-CB 3.45Å; V20-H38 WeakPolarHBondContact CG1-O 3.39Å; V20-N40 CarbonylContact O-C 3.5Å; V20-N40 WeakPolarHBondContact O-CA 3.46Å; V20-L41 HydrophobicContact CB-CD2 4.49Å; V20-L41 HydrophobicContact CB-CG 4.11Å; V20-L41 HydrophobicContact CG2-CD1 4.14Å; V20-L41 HydrophobicContact CG2-CD2 4.04Å; V20-L41 HydrophobicContact CG2-CG 3.83Å; V20-L41 WeakPolarHBondContact O-CB 3.44Å; V20-L41 VanDerWaalsContact O-CG 3.28Å; V20-L41 WeakPolarHBondContact O-CG 3.37Å; V20-L41 PolarHBondContact O-N 3.35Å; V20-V163 HydrophobicContact CG1-CG1 4.45Å
21D93.5Very high94.4Very high68 Ų6845.1 Ų45.136%0.36423%0.233SC..SBendtrans-72.46.8-177.160.55.9000114.3N19 L23 F42N19-D21 WeakPolarHBondContact CB-OD1 3.39Å; D21-L23 PolarHBondContact O-N 3.3Å; D21-L23 WeakPolarHBondContact OD1-CB 3.39Å; D21-L23 PolarHBondContact OD1-N 3.05Å; D21-F42 VanDerWaalsContact O-CE2 3.31Å; D21-F42 WeakPolarHBondContact O-CE2 3.39Å
22G94.2Very high94.4Very high1 Ų145.4 Ų45.41%0.0124%0.239CC..  trans60.314.4-178.600000114.4V20 H24 V25 R26 N40V20-G22 PolarHBondContact O-N 3.36Å; G22-H24 PolarHBondContact O-N 3.37Å; G22-H24 VanDerWaalsContact O-N 3.1Å; G22-V25 PolarHBondContact O-N 3.09Å; G22-R26 WeakPolarHBondContact O-CB 2.91Å; G22-R26 VanDerWaalsContact O-CG 3.29Å; G22-R26 WeakPolarHBondContact O-CG 3.48Å; G22-R26 PolarHBondContact O-N 3.37Å; G22-N40 WeakPolarHBondContact CA-ND2 3.39Å
23L94Very high94.4Very high94 Ų9446.2 Ų46.249%0.49224%0.239SC..Hα-helixtrans-49.9-42.5-172.417768.5000113D21 S27D21-L23 PolarHBondContact O-N 3.3Å; D21-L23 WeakPolarHBondContact OD1-CB 3.39Å; D21-L23 PolarHBondContact OD1-N 3.05Å; L23-S27 PolarHBondContact O-N 2.71Å
24H95.9Very high94.5Very high21 Ų2142.9 Ų42.910%0.09723%0.227CC..Hα-helixtrans-73.9-39.9-179-62.7-71.7000112.7S17 G22 R26 S27 L29 L34S17-H24 PolarHBondContact OG-NE2 3.35Å; G22-H24 PolarHBondContact O-N 3.37Å; G22-H24 VanDerWaalsContact O-N 3.1Å; H24-R26 VanDerWaalsContact C-N 3.3Å; H24-R26 PolarHBondContact O-N 2.74Å; H24-S27 PolarHBondContact O-N 2.87Å; H24-S27 PolarHBondContact O-OG 3.13Å; H24-L29 HydrophobicContact CB-CB 4.35Å; H24-L29 HydrophobicContact CB-CD1 4.42Å; H24-L29 WeakPolarHBondContact O-CB 3.27Å; H24-L29 PolarHBondContact O-N 2.06Å; H24-L29 VanDerWaalsContact O-N 3.08Å; H24-L34 HydrophobicContact CB-CD1 3.81Å; H24-L34 HydrophobicContact CB-CD2 3.71Å; H24-L34 HydrophobicContact CB-CG 4.44Å
25V95.2Very high94.4Very high9 Ų941.5 Ų41.56%0.05522%0.22CC..Hα-helixtrans-63-43.7175177.10000109.9G22 S27 G28 R31 L34 F54G22-V25 PolarHBondContact O-N 3.09Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.32Å; V25-G28 PolarHBondContact O-N 3.1Å; V25-R31 HydrophobicContact CG2-CG 4.46Å; V25-L34 HydrophobicContact CG2-CD2 3.73Å; V25-F54 HydrophobicContact CG1-CE1 4.46Å
26R94.8Very high94.3Very high55 Ų5541.1 Ų41.121%0.20822%0.218CC..Hα-helixtrans-67.1-29.5-179.8-67.817964.1-172-3.6113.6G22 H24 G28 Y366 D371 P372 L373G22-R26 WeakPolarHBondContact O-CB 2.91Å; G22-R26 VanDerWaalsContact O-CG 3.29Å; G22-R26 WeakPolarHBondContact O-CG 3.48Å; G22-R26 PolarHBondContact O-N 3.37Å; H24-R26 VanDerWaalsContact C-N 3.3Å; H24-R26 PolarHBondContact O-N 2.74Å; R26-G28 PolarHBondContact O-N 3.28Å; R26-Y366 PolarHBondContact NH2-OH 3.04Å; R26-D371 VanDerWaalsContact CA-OD1 3.31Å; R26-D371 WeakPolarHBondContact CA-OD1 3.49Å; R26-D371 WeakPolarHBondContact CB-OD2 3.41Å; R26-D371 WeakPolarHBondContact CG-OD2 3.46Å; R26-D371 IonicContact CZ-OD2 3.93Å; R26-D371 IonicContact NE-OD2 3.82Å; R26-D371 PolarHBondContact NE-OD2 2.82Å; R26-D371 IonicContact NH2-OD2 3.78Å; R26-D371 PolarHBondContact NH2-OD2 2.95Å; R26-P372 WeakPolarHBondContact O-CD 3.39Å; R26-L373 HydrophobicContact CG-CB 4.18Å; R26-L373 HydrophobicContact CG-CD2 4.04Å
27S95.6Very high94.1Very high18 Ų1838.2 Ų38.213%0.12620%0.2CC..THydrogen-bonded Turntrans-74.5-3.5172.971.80000113.9L23 H24 V25L23-S27 PolarHBondContact O-N 2.71Å; H24-S27 PolarHBondContact O-N 2.87Å; H24-S27 PolarHBondContact O-OG 3.13Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.32Å
28G95.6Very high93.9Very high32 Ų3239.2 Ų39.233%0.3320%0.204SC..THydrogen-bonded Turntrans82.715-176.200000114.3V25 R26 S30V25-G28 PolarHBondContact O-N 3.1Å; R26-G28 PolarHBondContact O-N 3.28Å; G28-S30 PolarHBondContact O-N 3.27Å
29L96.5Very high94Very high4 Ų437.4 Ų37.42%0.02120%0.196CC..  trans-67.9125.8174.5-168.5153.5000109.4I3 K4 V7 V15 H24 R31 L34I3-L29 HydrophobicContact CG2-CD1 4.2Å; K4-L29 HydrophobicContact CB-CB 4.37Å; K4-L29 HydrophobicContact CB-CD1 4.46Å; K4-L29 HydrophobicContact CG-CB 4.11Å; V7-L29 HydrophobicContact CG2-CD1 4.12Å; V15-L29 HydrophobicContact CB-CD1 4.3Å; V15-L29 HydrophobicContact CG2-CD1 3.86Å; H24-L29 HydrophobicContact CB-CB 4.35Å; H24-L29 HydrophobicContact CB-CD1 4.42Å; H24-L29 WeakPolarHBondContact O-CB 3.27Å; H24-L29 PolarHBondContact O-N 2.06Å; H24-L29 VanDerWaalsContact O-N 3.08Å; L29-R31 PolarHBondContact O-N 3.47Å; L29-L34 HydrophobicContact CD2-CB 3.64Å; L29-L34 HydrophobicContact CD2-CD1 4.16Å; L29-L34 HydrophobicContact CD2-CD2 4.3Å; L29-L34 HydrophobicContact CD2-CG 4.22Å
30S94Very high94.2Very high53 Ų5334 Ų3437%0.37118%0.177SC..  trans-57.5126.7-178.2175.40000111.7G28 E32 K33 L34G28-S30 PolarHBondContact O-N 3.27Å; S30-E32 PolarHBondContact O-N 2.85Å; S30-E32 VanDerWaalsContact O-N 3.09Å; S30-E32 PolarHBondContact OG-N 3.29Å; S30-K33 PolarHBondContact O-N 3.42Å; S30-L34 PolarHBondContact O-N 2.77Å
31R92.7Very high94.4Very high77 Ų7734.1 Ų34.129%0.29118%0.176SC..G310 helixtrans-56.6-28.2177.7-70.3-169.169.1-136.7-6.3112.5V25 L29 K33 L34 R180V25-R31 HydrophobicContact CG2-CG 4.46Å; L29-R31 PolarHBondContact O-N 3.47Å; R31-K33 PolarHBondContact O-N 3.17Å; R31-L34 PolarHBondContact O-N 2.66Å; R31-L34 VanDerWaalsContact O-N 3.1Å; R31-L34 VanDerWaalsContact O-O 3.1Å; R31-R180 WeakPolarHBondContact O-CD 3.26Å; R31-R180 PolarHBondContact O-NE 3.35Å
32E93Very high94.5Very high144 Ų14431.5 Ų31.567%0.67316%0.162SC*.G310 helixtrans-59-35.5178.1-66.1178.5176.700112.5S30 R180S30-E32 PolarHBondContact O-N 2.85Å; S30-E32 VanDerWaalsContact O-N 3.09Å; S30-E32 PolarHBondContact OG-N 3.29Å; E32-R180 PolarHBondContact O-NH2 3.05Å
33K95.6Very high94.6Very high57 Ų5731.4 Ų31.425%0.24816%0.161CC..G310 helixtrans-9915.3-179.8-57.5-177.1-178.9175.20112.8V7 H14 V15 S30 R31V7-K33 HydrophobicContact CG1-CB 4.14Å; V7-K33 HydrophobicContact CG1-CD 3.32Å; V7-K33 HydrophobicContact CG1-CG 4.39Å; V7-K33 PolarHBondContact O-NZ 3.29Å; H14-K33 CarbonylContact C-O 3.56Å; H14-K33 WeakPolarHBondContact CA-O 3.42Å; H14-K33 VanDerWaalsContact CE1-C 3.45Å; V15-K33 PolarHBondContact N-O 2.96Å; S30-K33 PolarHBondContact O-N 3.42Å; R31-K33 PolarHBondContact O-N 3.17Å
34L96.8Very high94.7Very high3 Ų327 Ų272%0.01614%0.138CC..EExtended strand (participates in β ladder)trans-125.8137.7-176.9-175.459000111.4V15 H24 V25 L29 S30 R31 E36 R180V15-L34 HydrophobicContact CB-CD1 4.07Å; V15-L34 HydrophobicContact CG1-CD1 3.89Å; V15-L34 CarbonylContact O-C 3.51Å; V15-L34 WeakPolarHBondContact O-CA 3.38Å; H24-L34 HydrophobicContact CB-CD1 3.81Å; H24-L34 HydrophobicContact CB-CD2 3.71Å; H24-L34 HydrophobicContact CB-CG 4.44Å; V25-L34 HydrophobicContact CG2-CD2 3.73Å; L29-L34 HydrophobicContact CD2-CB 3.64Å; L29-L34 HydrophobicContact CD2-CD1 4.16Å; L29-L34 HydrophobicContact CD2-CD2 4.3Å; L29-L34 HydrophobicContact CD2-CG 4.22Å; S30-L34 PolarHBondContact O-N 2.77Å; R31-L34 PolarHBondContact O-N 2.66Å; R31-L34 VanDerWaalsContact O-N 3.1Å; R31-L34 VanDerWaalsContact O-O 3.1Å; L34-E36 HydrophobicContact CD1-CG 4.39Å; L34-E36 HydrophobicContact CD2-CG 3.92Å; L34-E36 HydrophobicContact CG-CG 3.97Å; L34-R180 WeakPolarHBondContact O-CB 3.35Å; L34-R180 WeakPolarHBondContact O-CD 3.07Å
35S95.1Very high94.7Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-127.6115.9166.7-58.60000110.2H14 V15 V16 S17 Y179 R180 A184H14-S35 PolarHBondContact NE2-OG 2.86Å; V15-S35 PolarHBondContact O-N 2.82Å; V16-S35 WeakPolarHBondContact CA-O 3.47Å; S17-S35 PolarHBondContact N-O 2.83Å; S35-Y179 WeakPolarHBondContact CA-O 3.43Å; S35-Y179 WeakPolarHBondContact CB-O 3.34Å; S35-R180 WeakPolarHBondContact CB-O 3.48Å; S35-R180 PolarHBondContact OG-O 3.49Å; S35-A184 WeakPolarHBondContact OG-CB 3.35Å; S35-A184 PolarHBondContact OG-N 2.81Å
36E94.2Very high94.8Very high6 Ų625.8 Ų25.83%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-97.991.3178.9-63.1176.7109.200108.7S17 L34 H38 G39 N40 Y179S17-E36 CarbonylContact O-C 3.53Å; L34-E36 HydrophobicContact CD1-CG 4.39Å; L34-E36 HydrophobicContact CD2-CG 3.92Å; L34-E36 HydrophobicContact CG-CG 3.97Å; E36-H38 PolarHBondContact O-N 3.22Å; E36-G39 PolarHBondContact O-N 3.45Å; E36-N40 PolarHBondContact OE1-ND2 2.83Å; E36-N40 PolarHBondContact OE2-ND2 3.36Å; E36-Y179 PolarHBondContact N-O 2.9Å; E36-Y179 VanDerWaalsContact O-CD1 3.28Å; E36-Y179 WeakPolarHBondContact O-CD1 3.37Å
37L90.7Very high94.7Very high1 Ų124.6 Ų24.61%0.00513%0.129CC..THydrogen-bonded Turntrans-64.5-27.3-168.5-58.8-179.6000114.2V16 S17 Q18 Q170 I181 Y280 L283V16-L37 HydrophobicContact CG1-CD1 3.49Å; V16-L37 VanDerWaalsContact CG1-CD1 3.49Å; V16-L37 HydrophobicContact CG1-CD2 3.89Å; V16-L37 HydrophobicContact CG1-CG 3.61Å; S17-L37 PolarHBondContact O-N 3.36Å; Q18-L37 HydrophobicContact CG-CD1 4.29Å; L37-Q170 PolarHBondContact O-NE2 3.5Å; L37-I181 HydrophobicContact CD2-CG1 4.42Å; L37-Y280 HydrophobicContact CB-CE1 4.1Å; L37-Y280 HydrophobicContact CB-CE2 4.49Å; L37-Y280 HydrophobicContact CD1-CD1 3.95Å; L37-Y280 HydrophobicContact CD1-CD2 4.11Å; L37-Y280 HydrophobicContact CD1-CE1 4.06Å; L37-Y280 HydrophobicContact CD1-CE2 4.2Å; L37-Y280 HydrophobicContact CD1-CG 4Å; L37-Y280 HydrophobicContact CG-CE1 4.49Å; L37-L283 HydrophobicContact CD1-CD1 3.58Å; L37-L283 HydrophobicContact CD2-CD1 3.79Å; L37-L283 HydrophobicContact CG-CD1 4.32Å
38H90.8Very high94.7Very high29 Ų2925 Ų2513%0.13413%0.133CC..THydrogen-bonded Turntrans-100.99.1178-63.6156.3000113.1Q18 V20 E36 V163 V164 Y280Q18-H38 PolarHBondContact O-ND1 3.33Å; Q18-H38 PolarHBondContact OE1-CE1 3.1Å; V20-H38 HydrophobicContact CG1-CB 3.45Å; V20-H38 VanDerWaalsContact CG1-CB 3.45Å; V20-H38 WeakPolarHBondContact CG1-O 3.39Å; E36-H38 PolarHBondContact O-N 3.22Å; H38-V163 CarbonylContact O-C 3.48Å; H38-V163 VanDerWaalsContact O-CA 3.32Å; H38-V163 WeakPolarHBondContact O-CA 3.36Å; H38-V164 PolarHBondContact O-N 3.3Å; H38-Y280 AromaticContact CD2-CZ 3.98Å; H38-Y280 PolarHBondContact CD2-OH 2.9Å; H38-Y280 AromaticContact NE2-CE2 3.43Å; H38-Y280 WeakPolarHBondContact NE2-CE2 3.23Å; H38-Y280 AromaticContact NE2-CZ 3.64Å; H38-Y280 PolarHBondContact NE2-OH 3.45Å
39G92.8Very high94.6Very high1 Ų125.3 Ų25.31%0.0113%0.13CC..  trans79.9-159.3-175.600000112.4E36E36-G39 PolarHBondContact O-N 3.45Å
40N95.1Very high94.4Very high2 Ų230.1 Ų30.11%0.01115%0.153CC..  trans-147.8130.2-171.4-174.8-45.6000108.7V20 G22 E36 F42 I43V20-N40 CarbonylContact O-C 3.5Å; V20-N40 WeakPolarHBondContact O-CA 3.46Å; G22-N40 WeakPolarHBondContact CA-ND2 3.39Å; E36-N40 PolarHBondContact OE1-ND2 2.83Å; E36-N40 PolarHBondContact OE2-ND2 3.36Å; N40-F42 PolarHBondContact O-N 3.49Å; N40-F42 VanDerWaalsContact O-N 3.1Å; N40-F42 VanDerWaalsContact OD1-CB 3.3Å; N40-F42 WeakPolarHBondContact OD1-CB 3.29Å; N40-F42 WeakPolarHBondContact OD1-CD2 3.12Å; N40-F42 PolarHBondContact OD1-N 2.84Å; N40-I43 HydrophobicContact CB-CB 4.32Å; N40-I43 HydrophobicContact CB-CD1 3.68Å; N40-I43 HydrophobicContact CB-CG1 3.84Å; N40-I43 PolarHBondContact O-N 3.23Å
41L95.9Very high94.4Very high41 Ų4132.1 Ų32.122%0.21515%0.153CC..THydrogen-bonded Turntrans-61.1-17.5-178.7-67.6175.3000112.9V20 V59 A60 V163V20-L41 HydrophobicContact CB-CD2 4.49Å; V20-L41 HydrophobicContact CB-CG 4.11Å; V20-L41 HydrophobicContact CG2-CD1 4.14Å; V20-L41 HydrophobicContact CG2-CD2 4.04Å; V20-L41 HydrophobicContact CG2-CG 3.83Å; V20-L41 WeakPolarHBondContact O-CB 3.44Å; V20-L41 VanDerWaalsContact O-CG 3.28Å; V20-L41 WeakPolarHBondContact O-CG 3.37Å; V20-L41 PolarHBondContact O-N 3.35Å; L41-V59 WeakPolarHBondContact O-CG2 3.28Å; L41-V59 PolarHBondContact O-N 3.24Å; L41-A60 HydrophobicContact CD2-CB 3.82Å; L41-V163 HydrophobicContact CD2-CG2 3.99Å
42F96.8Very high94.5Very high13 Ų1329.9 Ų29.96%0.05715%0.15CC..THydrogen-bonded Turntrans-102.44.3-175.9-58-64.5000113.5D21 N40 F54 R55 F57 L373 I393D21-F42 VanDerWaalsContact O-CE2 3.31Å; D21-F42 WeakPolarHBondContact O-CE2 3.39Å; N40-F42 PolarHBondContact O-N 3.49Å; N40-F42 VanDerWaalsContact O-N 3.1Å; N40-F42 VanDerWaalsContact OD1-CB 3.3Å; N40-F42 WeakPolarHBondContact OD1-CB 3.29Å; N40-F42 WeakPolarHBondContact OD1-CD2 3.12Å; N40-F42 PolarHBondContact OD1-N 2.84Å; F42-F54 CarbonylContact O-C 3.55Å; F42-F54 WeakPolarHBondContact O-CA 3.39Å; F42-R55 WeakPolarHBondContact CB-O 3.19Å; F42-R55 PolarHBondContact O-N 3.11Å; F42-F57 VanDerWaalsContact CD1-O 3.31Å; F42-F57 WeakPolarHBondContact CD1-O 3.22Å; F42-L373 HydrophobicContact CB-CD1 4Å; F42-L373 HydrophobicContact CB-CD2 4.04Å; F42-L373 HydrophobicContact CD1-CD2 3.84Å; F42-L373 HydrophobicContact CD2-CD2 3.65Å; F42-L373 HydrophobicContact CE1-CD2 4.22Å; F42-L373 HydrophobicContact CE2-CD2 4.01Å; F42-L373 HydrophobicContact CG-CD1 4.43Å; F42-L373 HydrophobicContact CG-CD2 3.55Å; F42-L373 HydrophobicContact CZ-CD2 4.3Å; F42-I393 HydrophobicContact CE1-CG2 3.7Å; F42-I393 HydrophobicContact CZ-CG2 3.8Å
43I96.4Very high94.7Very high0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-115.2127.5-177.3-57179.2000110.3N40 A52 V53 F54 V59 V162 I178N40-I43 HydrophobicContact CB-CB 4.32Å; N40-I43 HydrophobicContact CB-CD1 3.68Å; N40-I43 HydrophobicContact CB-CG1 3.84Å; N40-I43 PolarHBondContact O-N 3.23Å; I43-A52 HydrophobicContact CG2-CB 4.24Å; I43-V53 WeakPolarHBondContact CA-O 3.48Å; I43-F54 HydrophobicContact CD1-CD1 4.24Å; I43-F54 HydrophobicContact CD1-CE1 3.46Å; I43-F54 VanDerWaalsContact CD1-CE1 3.46Å; I43-F54 HydrophobicContact CD1-CE2 4.49Å; I43-F54 HydrophobicContact CD1-CZ 3.61Å; I43-F54 HydrophobicContact CG1-CD1 3.8Å; I43-F54 HydrophobicContact CG1-CE1 3.55Å; I43-F54 HydrophobicContact CG1-CG 4.45Å; I43-F54 HydrophobicContact CG1-CZ 4Å; I43-V59 WeakPolarHBondContact O-CG2 3.41Å; I43-V162 HydrophobicContact CB-CG2 3.83Å; I43-V162 HydrophobicContact CG2-CG1 4.13Å; I43-V162 HydrophobicContact CG2-CG2 4.07Å; I43-I178 HydrophobicContact CG2-CD1 4.28Å; I43-I178 HydrophobicContact CG2-CG2 4.48Å
44E95.9Very high94.7Very high0 Ų021.7 Ų21.70%011%0.113CC..EExtended strand (participates in β ladder)trans-108.1150.5165.2-41.4-177.4-15400109.4A52 V53 R55 V59 T70 R72 L159 R160E44-A52 CarbonylContact O-C 3.58Å; E44-A52 VanDerWaalsContact O-CA 3.3Å; E44-A52 WeakPolarHBondContact O-CA 3.49Å; E44-V53 HydrophobicContact CB-CB 4.42Å; E44-V53 PolarHBondContact N-O 2.83Å; E44-V53 PolarHBondContact O-N 3.44Å; E44-R55 HydrophobicContact CG-CG 4.14Å; E44-R55 VanDerWaalsContact OE1-CG 3.22Å; E44-R55 WeakPolarHBondContact OE1-CG 3.47Å; E44-R55 IonicContact OE1-CZ 3.8Å; E44-R55 IonicContact OE1-NE 3.03Å; E44-R55 PolarHBondContact OE1-NE 2.91Å; E44-R55 IonicContact OE1-NH2 2.94Å; E44-V59 HydrophobicContact CG-CB 3.75Å; E44-V59 HydrophobicContact CG-CG1 3.58Å; E44-V59 HydrophobicContact CG-CG2 3.93Å; E44-V59 WeakPolarHBondContact OE1-CG1 3.46Å; E44-T70 HydrophobicContact CG-CG2 4.34Å; E44-T70 PolarHBondContact OE2-OG1 3.5Å; E44-R72 IonicContact OE1-CZ 2.93Å; E44-R72 IonicContact OE1-NE 3.77Å; E44-R72 PolarHBondContact OE1-NE 2.93Å; E44-R72 IonicContact OE1-NH2 3.13Å; E44-R72 PolarHBondContact OE1-NH2 3.21Å; E44-R72 IonicContact OE2-CZ 3.82Å; E44-R72 IonicContact OE2-NE 3.39Å; E44-R72 PolarHBondContact OE2-NE 3.34Å; E44-R72 IonicContact OE2-NH2 3.15Å; E44-R72 PolarHBondContact OE2-NH2 3.26Å; E44-L159 HydrophobicContact CB-CB 4.12Å; E44-L159 HydrophobicContact CB-CD1 4.42Å; E44-L159 HydrophobicContact CB-CD2 4.37Å; E44-L159 WeakPolarHBondContact OE2-CB 3.44Å; E44-L159 WeakPolarHBondContact OE2-CD1 3.48Å; E44-R160 CarbonylContact C-O 3.49Å; E44-R160 WeakPolarHBondContact CA-O 3.39Å
45Q95.7Very high94.7Very high6 Ų621.6 Ų21.63%0.02811%0.112CC..EExtended strand (participates in β ladder)trans-127.2137.7170.5-159.3-166.148.200111.5E50 Y51 R160 V162 G174 L175 I178Q45-E50 WeakPolarHBondContact CG-O 3.49Å; Q45-E50 PolarHBondContact NE2-O 2.82Å; Q45-Y51 WeakPolarHBondContact CA-O 3.43Å; Q45-R160 PolarHBondContact N-O 3.29Å; Q45-R160 WeakPolarHBondContact O-CG 3.29Å; Q45-R160 PolarHBondContact O-N 3.36Å; Q45-R160 PolarHBondContact O-NH1 2.93Å; Q45-V162 HydrophobicContact CB-CG1 3.94Å; Q45-G174 PolarHBondContact NE2-O 3.27Å; Q45-L175 HydrophobicContact CB-CD2 4.21Å; Q45-L175 VanDerWaalsContact CD-CD2 3.44Å; Q45-L175 HydrophobicContact CG-CD2 4.4Å; Q45-I178 HydrophobicContact CB-CD1 3.7Å; Q45-I178 HydrophobicContact CG-CD1 3.7Å
46C96.3Very high94.7Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-65.3135.3170.1-171.40000111.3A48 C49 E50 Y51 C74 C77 L158 L159 R160C46-A48 VanDerWaalsContact C-N 3.27Å; C46-A48 PolarHBondContact SG-N 2.97Å; C46-C49 VanDerWaalsContact CB-SG 3.57Å; C46-C49 PolarHBondContact SG-N 3.45Å; C46-E50 WeakPolarHBondContact O-CA 3.3Å; C46-E50 PolarHBondContact O-N 2.87Å; C46-Y51 PolarHBondContact N-O 3.23Å; C46-C74 HydrophobicContact CB-CB 3.78Å; C46-C74 WeakPolarHBondContact SG-CB 3.45Å; C46-C77 VanDerWaalsContact SG-SG 3.69Å; C46-L158 WeakPolarHBondContact CA-O 3.44Å; C46-L159 HydrophobicContact CB-CD2 4.08Å; C46-R160 PolarHBondContact O-NH1 3.18Å
47I94.3Very high94.8Very high29 Ų2921.9 Ų21.915%0.14912%0.115CC..THydrogen-bonded Turntrans-76.7-16172.765162000113.1F69 A125 K155 A156 L158 R160I47-F69 HydrophobicContact CD1-CE1 3.97Å; I47-F69 HydrophobicContact CD1-CZ 4.25Å; I47-F69 HydrophobicContact CG2-CE1 3.9Å; I47-A125 HydrophobicContact CD1-CB 4.21Å; I47-K155 HydrophobicContact CD1-CB 4.44Å; I47-K155 WeakPolarHBondContact O-CD 3.42Å; I47-A156 HydrophobicContact CD1-CB 4.37Å; I47-A156 WeakPolarHBondContact CD1-O 3.36Å; I47-A156 WeakPolarHBondContact CG1-O 3.43Å; I47-L158 HydrophobicContact CD1-CB 4.34Å; I47-L158 HydrophobicContact CG1-CB 4.27Å; I47-L158 PolarHBondContact N-O 3.44Å; I47-R160 HydrophobicContact CG2-CB 4.49Å; I47-R160 HydrophobicContact CG2-CG 4.02Å
48A94Very high95.1Very high26 Ų2623.8 Ų23.822%0.21513%0.125CC..THydrogen-bonded Turntrans-97.5-51.2-17500000113.1C46 L153 K155C46-A48 VanDerWaalsContact C-N 3.27Å; C46-A48 PolarHBondContact SG-N 2.97Å; A48-L153 HydrophobicContact CB-CD2 4.03Å; A48-K155 HydrophobicContact CB-CB 4Å; A48-K155 WeakPolarHBondContact CB-O 3.28Å
49C93.3Very high95.4Very high39 Ų3922.4 Ų22.426%0.26412%0.118SC..THydrogen-bonded Turntrans-109.73.4-177.470.20000114.3C46 Y51 C74 C77C46-C49 VanDerWaalsContact CB-SG 3.57Å; C46-C49 PolarHBondContact SG-N 3.45Å; C49-Y51 PolarHBondContact O-N 3.34Å; C49-Y51 WeakPolarHBondContact SG-CB 3.49Å; C49-C74 VanDerWaalsContact SG-SG 3.64Å; C49-C77 PolarHBondContact SG-SG 2.98Å
50E92.4Very high95.5Very high105 Ų10522.8 Ų22.849%0.49112%0.122SC..  trans60.84.7179.3-55-173.9164.600115.9Q45 C46 A52 G174Q45-E50 WeakPolarHBondContact CG-O 3.49Å; Q45-E50 PolarHBondContact NE2-O 2.82Å; C46-E50 WeakPolarHBondContact O-CA 3.3Å; C46-E50 PolarHBondContact O-N 2.87Å; E50-A52 PolarHBondContact O-N 3.08Å; E50-G174 WeakPolarHBondContact OE1-CA 3.47Å
51Y94.2Very high95.4Very high96 Ų9623 Ų2338%0.37612%0.123SC..  trans-57.8126.6174.6-174.8-111.2000111.4Q45 C46 C49 V53 P75 Q76Q45-Y51 WeakPolarHBondContact CA-O 3.43Å; C46-Y51 PolarHBondContact N-O 3.23Å; C49-Y51 PolarHBondContact O-N 3.34Å; C49-Y51 WeakPolarHBondContact SG-CB 3.49Å; Y51-V53 HydrophobicContact CD1-CG2 3.66Å; Y51-V53 HydrophobicContact CE1-CG2 3.73Å; Y51-P75 HydrophobicContact CE1-CG 4.26Å; Y51-Q76 HydrophobicContact CD1-CB 3.77Å; Y51-Q76 HydrophobicContact CD2-CB 4.3Å; Y51-Q76 VanDerWaalsContact CD2-CD 3.5Å; Y51-Q76 HydrophobicContact CE1-CB 4.21Å; Y51-Q76 VanDerWaalsContact CE2-OE1 3.25Å; Y51-Q76 HydrophobicContact CG-CB 3.8Å; Y51-Q76 HydrophobicContact CG-CG 4.39Å
52A95.1Very high95.1Very high29 Ų2924.4 Ų24.424%0.2413%0.133CC..EExtended strand (participates in β ladder)trans-91.3129.4175.800000110.3I43 E44 E50 I178I43-A52 HydrophobicContact CG2-CB 4.24Å; E44-A52 CarbonylContact O-C 3.58Å; E44-A52 VanDerWaalsContact O-CA 3.3Å; E44-A52 WeakPolarHBondContact O-CA 3.49Å; E50-A52 PolarHBondContact O-N 3.08Å; A52-I178 HydrophobicContact CB-CD1 4.15Å
53V96.7Very high94.7Very high3 Ų324.3 Ų24.32%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-112.6120.2178.8-174.40000108I43 E44 Y51 P75 L159 L378I43-V53 WeakPolarHBondContact CA-O 3.48Å; E44-V53 HydrophobicContact CB-CB 4.42Å; E44-V53 PolarHBondContact N-O 2.83Å; E44-V53 PolarHBondContact O-N 3.44Å; Y51-V53 HydrophobicContact CD1-CG2 3.66Å; Y51-V53 HydrophobicContact CE1-CG2 3.73Å; V53-P75 HydrophobicContact CG2-CG 3.98Å; V53-L159 HydrophobicContact CG2-CD1 4.27Å; V53-L159 HydrophobicContact CG2-CD2 3.98Å; V53-L378 HydrophobicContact CG1-CB 3.99Å; V53-L378 HydrophobicContact CG1-CD2 3.95Å
54F97Very high94.4Very high26 Ų2626.9 Ų26.911%0.11415%0.151CC..EExtended strand (participates in β ladder)trans-81.7143.1169.3-74.2-97.2000109.9V25 F42 I43 L373 I376 G377 L378V25-F54 HydrophobicContact CG1-CE1 4.46Å; F42-F54 CarbonylContact O-C 3.55Å; F42-F54 WeakPolarHBondContact O-CA 3.39Å; I43-F54 HydrophobicContact CD1-CD1 4.24Å; I43-F54 HydrophobicContact CD1-CE1 3.46Å; I43-F54 VanDerWaalsContact CD1-CE1 3.46Å; I43-F54 HydrophobicContact CD1-CE2 4.49Å; I43-F54 HydrophobicContact CD1-CZ 3.61Å; I43-F54 HydrophobicContact CG1-CD1 3.8Å; I43-F54 HydrophobicContact CG1-CE1 3.55Å; I43-F54 HydrophobicContact CG1-CG 4.45Å; I43-F54 HydrophobicContact CG1-CZ 4Å; F54-L373 HydrophobicContact CB-CD1 4.34Å; F54-L373 HydrophobicContact CD1-CD1 3.99Å; F54-I376 HydrophobicContact CB-CD1 4.23Å; F54-I376 HydrophobicContact CB-CG1 3.85Å; F54-I376 HydrophobicContact CD1-CD1 3.59Å; F54-I376 HydrophobicContact CD1-CG1 4.15Å; F54-I376 HydrophobicContact CD2-CD1 4.17Å; F54-I376 HydrophobicContact CD2-CG1 4.49Å; F54-I376 HydrophobicContact CE1-CD1 3.93Å; F54-I376 HydrophobicContact CE2-CD1 4.48Å; F54-I376 HydrophobicContact CG-CD1 3.73Å; F54-I376 HydrophobicContact CG-CG1 3.91Å; F54-I376 HydrophobicContact CZ-CD1 4.37Å; F54-G377 WeakPolarHBondContact O-CA 3.48Å; F54-L378 PolarHBondContact O-N 3.1Å
55R96.9Very high94Very high1 Ų134 Ų340%0.00418%0.178CC..  trans-130.3159.4178.9-62.5-58-165.21770.5110.2F42 E44 F57 V59 L373 L378 S379F42-R55 WeakPolarHBondContact CB-O 3.19Å; F42-R55 PolarHBondContact O-N 3.11Å; E44-R55 HydrophobicContact CG-CG 4.14Å; E44-R55 VanDerWaalsContact OE1-CG 3.22Å; E44-R55 WeakPolarHBondContact OE1-CG 3.47Å; E44-R55 IonicContact OE1-CZ 3.8Å; E44-R55 IonicContact OE1-NE 3.03Å; E44-R55 PolarHBondContact OE1-NE 2.91Å; E44-R55 IonicContact OE1-NH2 2.94Å; R55-F57 VanDerWaalsContact C-N 3.35Å; R55-F57 HydrophobicContact CB-CD1 3.9Å; R55-F57 HydrophobicContact CB-CE1 3.67Å; R55-F57 HydrophobicContact CB-CG 4.46Å; R55-F57 HydrophobicContact CB-CZ 4.03Å; R55-F57 HydrophobicContact CG-CE1 3.85Å; R55-F57 HydrophobicContact CG-CZ 3.83Å; R55-V59 HydrophobicContact CB-CG1 3.63Å; R55-V59 HydrophobicContact CG-CG1 3.46Å; R55-V59 VanDerWaalsContact CG-CG1 3.46Å; R55-L373 WeakPolarHBondContact O-CD1 3.4Å; R55-L378 WeakPolarHBondContact CD-O 3.49Å; R55-L378 PolarHBondContact NH1-O 2.94Å; R55-S379 PolarHBondContact NH1-O 3.47Å
56T95.3Very high93.6Very high12 Ų1237.8 Ų37.87%0.07421%0.205CC..SBendtrans-97.721.9174.7500000112.3Y374 N392 I393T56-Y374 HydrophobicContact CG2-CD1 4.11Å; T56-N392 CarbonylContact O-C 3.59Å; T56-N392 WeakPolarHBondContact O-CA 3.02Å; T56-N392 PolarHBondContact OG1-OD1 3.35Å; T56-N392 VanDerWaalsContact OG1-OD1 3.09Å; T56-I393 WeakPolarHBondContact O-CG1 3.42Å; T56-I393 PolarHBondContact O-N 2.77Å
57F95.9Very high93.4Very high1 Ų142.1 Ų42.10%0.00423%0.225CC..SBendtrans-146.2163.3179.659.4-86.2000110.3F42 R55 V59 L380 R388 P391F42-F57 VanDerWaalsContact CD1-O 3.31Å; F42-F57 WeakPolarHBondContact CD1-O 3.22Å; R55-F57 VanDerWaalsContact C-N 3.35Å; R55-F57 HydrophobicContact CB-CD1 3.9Å; R55-F57 HydrophobicContact CB-CE1 3.67Å; R55-F57 HydrophobicContact CB-CG 4.46Å; R55-F57 HydrophobicContact CB-CZ 4.03Å; R55-F57 HydrophobicContact CG-CE1 3.85Å; R55-F57 HydrophobicContact CG-CZ 3.83Å; F57-V59 HydrophobicContact CD2-CG1 4.29Å; F57-V59 HydrophobicContact CE2-CG1 3.92Å; F57-V59 HydrophobicContact CZ-CG1 4.33Å; F57-V59 PolarHBondContact O-N 3.23Å; F57-L380 HydrophobicContact CE1-CD1 4.14Å; F57-L380 HydrophobicContact CE1-CD2 4.2Å; F57-L380 HydrophobicContact CE1-CG 3.82Å; F57-L380 HydrophobicContact CE2-CD1 4.45Å; F57-L380 HydrophobicContact CZ-CD1 3.77Å; F57-L380 HydrophobicContact CZ-CD2 3.82Å; F57-L380 HydrophobicContact CZ-CG 3.76Å; F57-R388 HydrophobicContact CD2-CB 4.42Å; F57-R388 HydrophobicContact CE2-CB 4.25Å; F57-R388 VanDerWaalsContact CG-NH1 3.29Å; F57-P391 WeakPolarHBondContact CB-O 3.48Å
58D96.1Very high93.5Very high40 Ų4042.2 Ų42.221%0.21423%0.225CC..  trans-66.7103.1175.6176.38.4000110.7A60 E61 R390D58-A60 PolarHBondContact O-N 3.14Å; D58-A60 VanDerWaalsContact OD1-C 3.31Å; D58-A60 VanDerWaalsContact OD1-CA 3.3Å; D58-A60 WeakPolarHBondContact OD1-CA 3.39Å; D58-A60 WeakPolarHBondContact OD1-CB 3.45Å; D58-A60 PolarHBondContact OD1-N 3.23Å; D58-E61 PolarHBondContact OD1-N 2.92Å; D58-R390 HydrophobicContact CB-CB 4.4Å; D58-R390 HydrophobicContact CB-CG 4.21Å
59V96.9Very high93.6Very high0 Ų043 Ų430%022%0.224CC..THydrogen-bonded Turntrans-74.7-19.6178.1-54.30000112.3L41 I43 E44 R55 F57 T70 D161L41-V59 WeakPolarHBondContact O-CG2 3.28Å; L41-V59 PolarHBondContact O-N 3.24Å; I43-V59 WeakPolarHBondContact O-CG2 3.41Å; E44-V59 HydrophobicContact CG-CB 3.75Å; E44-V59 HydrophobicContact CG-CG1 3.58Å; E44-V59 HydrophobicContact CG-CG2 3.93Å; E44-V59 WeakPolarHBondContact OE1-CG1 3.46Å; R55-V59 HydrophobicContact CB-CG1 3.63Å; R55-V59 HydrophobicContact CG-CG1 3.46Å; R55-V59 VanDerWaalsContact CG-CG1 3.46Å; F57-V59 HydrophobicContact CD2-CG1 4.29Å; F57-V59 HydrophobicContact CE2-CG1 3.92Å; F57-V59 HydrophobicContact CZ-CG1 4.33Å; F57-V59 PolarHBondContact O-N 3.23Å; V59-T70 HydrophobicContact CB-CG2 4.45Å; V59-D161 HydrophobicContact CG2-CB 3.98Å
60A95.1Very high93.8Very high10 Ų1041.1 Ų41.18%0.08321%0.211CC..THydrogen-bonded Turntrans-94.85.9-176.400000112.5L41 D58 T62 T63 D161 V163L41-A60 HydrophobicContact CD2-CB 3.82Å; D58-A60 PolarHBondContact O-N 3.14Å; D58-A60 VanDerWaalsContact OD1-C 3.31Å; D58-A60 VanDerWaalsContact OD1-CA 3.3Å; D58-A60 WeakPolarHBondContact OD1-CA 3.39Å; D58-A60 WeakPolarHBondContact OD1-CB 3.45Å; D58-A60 PolarHBondContact OD1-N 3.23Å; A60-T62 PolarHBondContact O-N 3.38Å; A60-T63 WeakPolarHBondContact CA-OG1 3.38Å; A60-T63 HydrophobicContact CB-CG2 4.35Å; A60-T63 WeakPolarHBondContact CB-OG1 3.32Å; A60-T63 WeakPolarHBondContact O-CB 3.38Å; A60-T63 WeakPolarHBondContact O-CG2 3.37Å; A60-T63 PolarHBondContact O-N 3.36Å; A60-T63 PolarHBondContact O-OG1 2.9Å; A60-D161 HydrophobicContact CB-CB 4.04Å; A60-V163 HydrophobicContact CB-CB 4.26Å; A60-V163 HydrophobicContact CB-CG2 3.59Å
61E93.4Very high94Very high7 Ų736.2 Ų36.23%0.03319%0.189CC..THydrogen-bonded Turntrans-50.8131.3175.871.2178.7130.300109.3D58 T63 M114 R118 R388 T389 R390D58-E61 PolarHBondContact OD1-N 2.92Å; E61-T63 PolarHBondContact O-N 2.84Å; E61-M114 VanDerWaalsContact CD-SD 3.58Å; E61-M114 HydrophobicContact CG-CE 4.44Å; E61-M114 HydrophobicContact CG-SD 3.92Å; E61-R118 VanDerWaalsContact CG-NH2 3.33Å; E61-R118 PolarHBondContact O-NH1 2.83Å; E61-R118 PolarHBondContact O-NH2 3.18Å; E61-R388 WeakPolarHBondContact OE1-CA 3.19Å; E61-R388 WeakPolarHBondContact OE1-CB 3.32Å; E61-T389 VanDerWaalsContact CD-N 3.27Å; E61-T389 PolarHBondContact OE1-N 2.81Å; E61-T389 WeakPolarHBondContact OE2-CA 3.37Å; E61-T389 WeakPolarHBondContact OE2-CB 3.35Å; E61-T389 PolarHBondContact OE2-N 3.36Å; E61-T389 PolarHBondContact OE2-OG1 2.67Å; E61-R390 HydrophobicContact CB-CG 3.71Å; E61-R390 HydrophobicContact CG-CG 4.34Å; E61-R390 PolarHBondContact OE1-N 2.85Å; E61-R390 WeakPolarHBondContact OE2-CG 3.29Å; E61-R390 PolarHBondContact OE2-N 3.08Å
62T89.3Confident94.2Very high69 Ų6931.7 Ų31.742%0.42317%0.171SC..THydrogen-bonded Turntrans58.63.6-177.875.30000117A60 M114 R118A60-T62 PolarHBondContact O-N 3.38Å; T62-M114 HydrophobicContact CG2-CE 3.69Å; T62-M114 WeakPolarHBondContact OG1-CE 3.16Å; T62-R118 VanDerWaalsContact OG1-CZ 3.29Å; T62-R118 PolarHBondContact OG1-NH1 2.98Å
63T88.4Confident94.3Very high12 Ų1230.4 Ų30.47%0.07416%0.16CC..  trans-72.1156.7169.368.90000109A60 E61 H67 D161 H165A60-T63 WeakPolarHBondContact CA-OG1 3.38Å; A60-T63 HydrophobicContact CB-CG2 4.35Å; A60-T63 WeakPolarHBondContact CB-OG1 3.32Å; A60-T63 WeakPolarHBondContact O-CB 3.38Å; A60-T63 WeakPolarHBondContact O-CG2 3.37Å; A60-T63 PolarHBondContact O-N 3.36Å; A60-T63 PolarHBondContact O-OG1 2.9Å; E61-T63 PolarHBondContact O-N 2.84Å; T63-H67 WeakPolarHBondContact CA-O 3.48Å; T63-H67 WeakPolarHBondContact CB-O 3.2Å; T63-D161 VanDerWaalsContact CB-OD2 3.28Å; T63-D161 WeakPolarHBondContact CB-OD2 2.94Å; T63-D161 HydrophobicContact CG2-CB 4.44Å; T63-D161 WeakPolarHBondContact CG2-OD2 3.23Å; T63-H165 PolarHBondContact O-CE1 3.43Å; T63-H165 VanDerWaalsContact O-CE1 3.26Å; T63-H165 PolarHBondContact OG1-CE1 3.07Å; T63-H165 PolarHBondContact OG1-NE2 3.18Å
64S90Very high94.4Very high54 Ų5430.3 Ų30.338%0.37816%0.159SC..BIsolated β-bridgetrans-153.8174178.856.20000109.6S66 H67 H165S64-S66 PolarHBondContact O-N 3.04Å; S64-H67 PolarHBondContact N-O 2.9Å; S64-H67 CarbonylContact O-C 3.41Å; S64-H67 WeakPolarHBondContact O-CA 3.42Å; S64-H67 PolarHBondContact O-N 3.08Å; S64-H165 VanDerWaalsContact C-CD2 3.47Å
65R88.3Confident94.4Very high150 Ų15030.5 Ų30.557%0.56616%0.163SC*.THydrogen-bonded Turntrans-44.6124.5177.7-167.8-176.785177.43.7111.3H67 H165 E168R65-H67 PolarHBondContact O-CD2 2.8Å; R65-H67 PolarHBondContact O-N 3.45Å; R65-H165 HydrophobicContact CB-CB 4.42Å; R65-E168 WeakPolarHBondContact CA-OE1 3.25Å; R65-E168 HydrophobicContact CG-CB 4.13Å; R65-E168 HydrophobicContact CG-CG 4.21Å; R65-E168 WeakPolarHBondContact CG-OE1 3.49Å
66S86.4Confident94.4Very high85 Ų8533.6 Ų33.659%0.59418%0.178SC*.THydrogen-bonded Turntrans65.210.1-178.8-46.20000115.8S64 H68 E168S64-S66 PolarHBondContact O-N 3.04Å; S66-H68 PolarHBondContact N-NE2 2.86Å; S66-E168 PolarHBondContact N-OE1 2.79Å
67H92.8Very high94.5Very high90 Ų9033 Ų3342%0.41717%0.174SC..BIsolated β-bridgetrans-132.473.3-178-70.1-75.5000110.8T63 S64 R65T63-H67 WeakPolarHBondContact CA-O 3.48Å; T63-H67 WeakPolarHBondContact CB-O 3.2Å; S64-H67 PolarHBondContact N-O 2.9Å; S64-H67 CarbonylContact O-C 3.41Å; S64-H67 WeakPolarHBondContact O-CA 3.42Å; S64-H67 PolarHBondContact O-N 3.08Å; R65-H67 PolarHBondContact O-CD2 2.8Å; R65-H67 PolarHBondContact O-N 3.45Å
68H95.2Very high94.5Very high32 Ų3237 Ų3715%0.14819%0.189CC..  trans-106.5-6.4-171.7-61.7-92.9000115.5S66 T70 R160 D161 V163 H165 E168S66-H68 PolarHBondContact N-NE2 2.86Å; H68-T70 PolarHBondContact O-N 3.45Å; H68-R160 HydrophobicContact CB-CB 3.98Å; H68-R160 CarbonylContact O-C 3.57Å; H68-R160 WeakPolarHBondContact O-CA 3.35Å; H68-R160 WeakPolarHBondContact O-CB 3.3Å; H68-D161 WeakPolarHBondContact CA-OD2 3.35Å; H68-D161 WeakPolarHBondContact CB-OD2 3.27Å; H68-D161 IonicContact CE1-OD1 3.2Å; H68-D161 IonicContact CG-OD1 3.8Å; H68-D161 IonicContact CG-OD2 3Å; H68-D161 IonicContact ND1-OD1 3.84Å; H68-D161 PolarHBondContact ND1-OD1 2.8Å; H68-D161 IonicContact ND1-OD2 3.81Å; H68-D161 PolarHBondContact ND1-OD2 2.84Å; H68-D161 PolarHBondContact O-N 3.27Å; H68-D161 VanDerWaalsContact O-OD2 3.06Å; H68-V163 PolarHBondContact CE1-O 3.08Å; H68-V163 PolarHBondContact ND1-O 3.03Å; H68-H165 AromaticContact CE1-CD2 3.52Å; H68-E168 IonicContact CE1-OE1 2.95Å; H68-E168 IonicContact CE1-OE2 2.84Å; H68-E168 PolarHBondContact CE1-OE2 3.26Å; H68-E168 VanDerWaalsContact NE2-CD 3.3Å; H68-E168 IonicContact NE2-OE1 3.21Å; H68-E168 PolarHBondContact NE2-OE1 3.08Å; H68-E168 IonicContact NE2-OE2 2.91Å; H68-E168 PolarHBondContact NE2-OE2 3.1Å; H68-E168 VanDerWaalsContact NE2-OE2 3.15Å
69F97.4Very high94.5Very high42 Ų4241.5 Ų41.518%0.18421%0.213CC..EExtended strand (participates in β ladder)trans-66128.5-177.1-72.8-65.5000110.7I47 R118 A121 R122 A125 L158 R160I47-F69 HydrophobicContact CD1-CE1 3.97Å; I47-F69 HydrophobicContact CD1-CZ 4.25Å; I47-F69 HydrophobicContact CG2-CE1 3.9Å; F69-R118 VanDerWaalsContact O-CG 3.26Å; F69-R118 WeakPolarHBondContact O-CG 3.48Å; F69-A121 HydrophobicContact CB-CB 3.79Å; F69-A121 HydrophobicContact CD1-CB 4.47Å; F69-A121 HydrophobicContact CG-CB 4.14Å; F69-R122 HydrophobicContact CD2-CB 3.87Å; F69-R122 HydrophobicContact CD2-CG 4.25Å; F69-R122 HydrophobicContact CE2-CB 4.29Å; F69-R122 HydrophobicContact CE2-CG 4.32Å; F69-A125 HydrophobicContact CE1-CB 4.05Å; F69-A125 HydrophobicContact CE2-CB 3.87Å; F69-A125 HydrophobicContact CZ-CB 3.41Å; F69-A125 VanDerWaalsContact CZ-CB 3.41Å; F69-L158 HydrophobicContact CD1-CB 4.12Å; F69-L158 HydrophobicContact CD1-CD1 4.39Å; F69-L158 HydrophobicContact CE1-CB 4.11Å; F69-L158 HydrophobicContact CE1-CD1 4.26Å; F69-R160 HydrophobicContact CD1-CB 4.39Å
70T97Very high94.4Very high0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-85.3-12.7-178.861.10000113E44 V59 H68 R72 L159E44-T70 HydrophobicContact CG-CG2 4.34Å; E44-T70 PolarHBondContact OE2-OG1 3.5Å; V59-T70 HydrophobicContact CB-CG2 4.45Å; H68-T70 PolarHBondContact O-N 3.45Å; T70-R72 VanDerWaalsContact CB-CZ 3.45Å; T70-R72 VanDerWaalsContact CB-NH2 3.28Å; T70-R72 PolarHBondContact O-NH1 2.94Å; T70-L159 PolarHBondContact N-O 3.11Å; T70-L159 VanDerWaalsContact N-O 3.14Å; T70-L159 WeakPolarHBondContact OG1-CB 3.28Å; T70-L159 PolarHBondContact OG1-O 3.23Å
71G97.5Very high94.3Very high2 Ų247.1 Ų47.12%0.02124%0.241CC..EExtended strand (participates in β ladder)trans83.418.6-17800000113.9L92 T387G71-L92 WeakPolarHBondContact O-CD2 3.47Å; G71-T387 WeakPolarHBondContact O-CG2 3.44Å
72R97.8Very high94.2Very high1 Ų150.2 Ų50.20%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-119.5155.8-177.1-67.1-178.8-76.6-84.911.9112.7E44 T70 L158 L159 T387E44-R72 IonicContact OE1-CZ 2.93Å; E44-R72 IonicContact OE1-NE 3.77Å; E44-R72 PolarHBondContact OE1-NE 2.93Å; E44-R72 IonicContact OE1-NH2 3.13Å; E44-R72 PolarHBondContact OE1-NH2 3.21Å; E44-R72 IonicContact OE2-CZ 3.82Å; E44-R72 IonicContact OE2-NE 3.39Å; E44-R72 PolarHBondContact OE2-NE 3.34Å; E44-R72 IonicContact OE2-NH2 3.15Å; E44-R72 PolarHBondContact OE2-NH2 3.26Å; T70-R72 VanDerWaalsContact CB-CZ 3.45Å; T70-R72 VanDerWaalsContact CB-NH2 3.28Å; T70-R72 PolarHBondContact O-NH1 2.94Å; R72-L158 WeakPolarHBondContact O-CA 3.34Å; R72-L159 HydrophobicContact CB-CB 4.38Å; R72-L159 HydrophobicContact CB-CD1 4.01Å; R72-L159 PolarHBondContact O-N 2.9Å; R72-T387 WeakPolarHBondContact CD-OG1 3.47Å; R72-T387 HydrophobicContact CG-CG2 4.09Å; R72-T387 VanDerWaalsContact CG-OG1 3.24Å; R72-T387 WeakPolarHBondContact CG-OG1 3.49Å; R72-T387 PolarHBondContact NH1-O 3.46Å; R72-T387 VanDerWaalsContact NH1-O 3.12Å; R72-T387 PolarHBondContact NH1-OG1 3.14Å
73I97.9Very high94.1Very high2 Ų251.1 Ų51.11%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-95.9137.7175.7-56.9-63.3000109.3R78 A88 L92 P157 L158I73-R78 HydrophobicContact CG2-CG 3.74Å; I73-A88 HydrophobicContact CD1-CB 4.01Å; I73-L92 HydrophobicContact CD1-CD2 3.85Å; I73-L92 HydrophobicContact CG1-CD2 4.16Å; I73-P157 CarbonylContact C-O 3.57Å; I73-P157 VanDerWaalsContact CA-O 3.26Å; I73-P157 WeakPolarHBondContact CA-O 3.42Å; I73-P157 HydrophobicContact CG2-CB 4.24Å; I73-P157 HydrophobicContact CG2-CG 4.18Å; I73-L158 HydrophobicContact CD1-CD2 3.97Å
74C97.9Very high94.3Very high0 Ų052.2 Ų52.20%027%0.271CS..  trans-63.5125.2-179.6174.30000111.6C46 C49 Q76 C77 R78 P157 L159C46-C74 HydrophobicContact CB-CB 3.78Å; C46-C74 WeakPolarHBondContact SG-CB 3.45Å; C49-C74 VanDerWaalsContact SG-SG 3.64Å; C74-Q76 VanDerWaalsContact C-N 3.34Å; C74-Q76 PolarHBondContact O-N 2.93Å; C74-C77 HydrophobicContact CB-CB 3.94Å; C74-C77 PolarHBondContact O-N 2.74Å; C74-R78 WeakPolarHBondContact O-CG 2.74Å; C74-R78 PolarHBondContact O-N 3.47Å; C74-P157 PolarHBondContact N-O 3.23Å; C74-L159 HydrophobicContact CB-CD2 3.86Å; C74-L159 HydrophobicContact CB-CG 4.27Å
75P97.3Very high94.5Very high30 Ų3049.7 Ų49.720%0.19525%0.253CS..Hα-helixtrans-63.7-37.1-179.926-35.3000112.5Y51 V53 C77 R78 N79 L378Y51-P75 HydrophobicContact CE1-CG 4.26Å; V53-P75 HydrophobicContact CG2-CG 3.98Å; P75-C77 PolarHBondContact O-N 3.1Å; P75-R78 WeakPolarHBondContact O-CB 3.35Å; P75-R78 PolarHBondContact O-N 2.81Å; P75-N79 PolarHBondContact O-N 3.2Å; P75-L378 HydrophobicContact CB-CD2 4.07Å; P75-L378 HydrophobicContact CG-CD2 3.69Å
76Q96.8Very high94.7Very high67 Ų6746.3 Ų46.331%0.31325%0.249SC..Hα-helixtrans-64.9-41.1176.1-175.5166.5-76.600111.8Y51 C74 R78 N79 L80Y51-Q76 HydrophobicContact CD1-CB 3.77Å; Y51-Q76 HydrophobicContact CD2-CB 4.3Å; Y51-Q76 VanDerWaalsContact CD2-CD 3.5Å; Y51-Q76 HydrophobicContact CE1-CB 4.21Å; Y51-Q76 VanDerWaalsContact CE2-OE1 3.25Å; Y51-Q76 HydrophobicContact CG-CB 3.8Å; Y51-Q76 HydrophobicContact CG-CG 4.39Å; C74-Q76 VanDerWaalsContact C-N 3.34Å; C74-Q76 PolarHBondContact O-N 2.93Å; Q76-R78 VanDerWaalsContact C-N 3.34Å; Q76-N79 PolarHBondContact O-N 3.4Å; Q76-L80 HydrophobicContact CG-CD1 3.75Å; Q76-L80 HydrophobicContact CG-CG 4.32Å; Q76-L80 WeakPolarHBondContact O-CG 3.18Å; Q76-L80 PolarHBondContact O-N 3.38Å
77C96.9Very high95Very high0 Ų045 Ų450%024%0.235CC..Hα-helixtrans-66.2-35.2173.9-70.50000112.3C46 C49 C74 P75 N79 L80 H81 S85 L153 P157C46-C77 VanDerWaalsContact SG-SG 3.69Å; C49-C77 PolarHBondContact SG-SG 2.98Å; C74-C77 HydrophobicContact CB-CB 3.94Å; C74-C77 PolarHBondContact O-N 2.74Å; P75-C77 PolarHBondContact O-N 3.1Å; C77-N79 PolarHBondContact O-N 2.86Å; C77-L80 PolarHBondContact O-N 3.43Å; C77-H81 CarbonylContact O-C 3.32Å; C77-H81 WeakPolarHBondContact O-CA 3.29Å; C77-H81 PolarHBondContact O-N 3.37Å; C77-S85 PolarHBondContact O-OG 3.48Å; C77-L153 HydrophobicContact CB-CD1 4.16Å; C77-P157 HydrophobicContact CB-CB 3.39Å
78R95.7Very high95.2Very high83 Ų8340.7 Ų40.731%0.31322%0.215SC..Hα-helixtrans-58-38.8174-69.4-177.5-174.4-94.213.9111.4I73 C74 P75 Q76 P82 S85 E384I73-R78 HydrophobicContact CG2-CG 3.74Å; C74-R78 WeakPolarHBondContact O-CG 2.74Å; C74-R78 PolarHBondContact O-N 3.47Å; P75-R78 WeakPolarHBondContact O-CB 3.35Å; P75-R78 PolarHBondContact O-N 2.81Å; Q76-R78 VanDerWaalsContact C-N 3.34Å; R78-P82 WeakPolarHBondContact O-CA 3.46Å; R78-S85 PolarHBondContact N-OG 3.48Å; R78-E384 IonicContact CZ-OE1 3.71Å; R78-E384 IonicContact NE-OE1 2.82Å; R78-E384 IonicContact NH2-OE1 3.58Å; R78-E384 PolarHBondContact NH2-OE1 3.35Å
79N95.6Very high95.2Very high136 Ų13640.7 Ų40.773%0.72722%0.219SC*.Hα-helixtrans-76.3-43.7179.5-64.7-16.4000112.6P75 Q76 C77P75-N79 PolarHBondContact O-N 3.2Å; Q76-N79 PolarHBondContact O-N 3.4Å; C77-N79 PolarHBondContact O-N 2.86Å
80L95.2Very high95.2Very high108 Ų10841.7 Ų41.757%0.56523%0.226SC*.Hα-helixtrans-82.9-29.6-175.2-63.1176.9000113.7Q76 C77Q76-L80 HydrophobicContact CG-CD1 3.75Å; Q76-L80 HydrophobicContact CG-CG 4.32Å; Q76-L80 WeakPolarHBondContact O-CG 3.18Å; Q76-L80 PolarHBondContact O-N 3.38Å; C77-L80 PolarHBondContact O-N 3.43Å
81H92.8Very high95.2Very high20 Ų2044 Ų449%0.09324%0.238CC..  trans-136.767.1-175.3-49-63.1000110.2C77 V83 E84 S85 S151 L153C77-H81 CarbonylContact O-C 3.32Å; C77-H81 WeakPolarHBondContact O-CA 3.29Å; C77-H81 PolarHBondContact O-N 3.37Å; H81-V83 VanDerWaalsContact C-N 3.33Å; H81-V83 PolarHBondContact O-N 3.31Å; H81-E84 HydrophobicContact CB-CB 4.29Å; H81-S85 WeakPolarHBondContact O-CB 3.33Å; H81-S85 PolarHBondContact O-N 2.9Å; H81-S85 PolarHBondContact O-OG 3.41Å; H81-S151 PolarHBondContact CE1-OG 3.06Å; H81-L153 HydrophobicContact CB-CD1 4Å; H81-L153 HydrophobicContact CB-CG 4.07Å; H81-L153 WeakPolarHBondContact CD2-CD2 3.08Å
82P91.5Very high95.2Very high72 Ų7244.1 Ų44.147%0.46824%0.238SC..Hα-helixtrans-63.7-35.9-171.923.5-33.8000113R78 T86R78-P82 WeakPolarHBondContact O-CA 3.46Å; P82-T86 VanDerWaalsContact O-CB 3.26Å; P82-T86 WeakPolarHBondContact O-CB 3.35Å; P82-T86 PolarHBondContact O-N 3.26Å; P82-T86 PolarHBondContact O-OG1 3.41Å
83V88.7Confident95.2Very high88 Ų8848.9 Ų48.953%0.53326%0.256SS..Hα-helixtrans-67.8-53.8-178.6177.80000110.4H81 S85 T86 I87H81-V83 VanDerWaalsContact C-N 3.33Å; H81-V83 PolarHBondContact O-N 3.31Å; V83-S85 VanDerWaalsContact C-N 3.32Å; V83-S85 PolarHBondContact O-N 3.36Å; V83-T86 PolarHBondContact O-N 3.49Å; V83-I87 HydrophobicContact CG1-CD1 4.11Å; V83-I87 WeakPolarHBondContact O-CG1 3.43Å; V83-I87 PolarHBondContact O-N 2.87Å
84E91.4Very high95.1Very high34 Ų3454.6 Ų54.616%0.15928%0.281CS..Hα-helixtrans-60.3-43.3178-69.783.417200111.5H81 T86 I87 A88 F128 L153H81-E84 HydrophobicContact CB-CB 4.29Å; E84-T86 VanDerWaalsContact C-N 3.35Å; E84-I87 PolarHBondContact O-N 3.46Å; E84-A88 WeakPolarHBondContact O-CB 3.42Å; E84-A88 PolarHBondContact O-N 3.32Å; E84-F128 HydrophobicContact CB-CZ 4.27Å; E84-L153 HydrophobicContact CB-CD1 4.31Å
85S94.5Very high95.1Very high1 Ų156.5 Ų56.51%0.00729%0.292CS..Hα-helixtrans-66.1-37178.9-61.90000112.2C77 R78 H81 V83 A88 S89C77-S85 PolarHBondContact O-OG 3.48Å; R78-S85 PolarHBondContact N-OG 3.48Å; H81-S85 WeakPolarHBondContact O-CB 3.33Å; H81-S85 PolarHBondContact O-N 2.9Å; H81-S85 PolarHBondContact O-OG 3.41Å; V83-S85 VanDerWaalsContact C-N 3.32Å; V83-S85 PolarHBondContact O-N 3.36Å; S85-A88 PolarHBondContact O-N 3.1Å; S85-S89 WeakPolarHBondContact O-CB 3.36Å; S85-S89 PolarHBondContact O-N 2.91Å
86T93.1Very high95.1Very high79 Ų7955 Ų5549%0.48528%0.283SS..Hα-helixtrans-65.2-48.4174.7-60.10000110.8P82 V83 E84 A88 S89 D90P82-T86 VanDerWaalsContact O-CB 3.26Å; P82-T86 WeakPolarHBondContact O-CB 3.35Å; P82-T86 PolarHBondContact O-N 3.26Å; P82-T86 PolarHBondContact O-OG1 3.41Å; V83-T86 PolarHBondContact O-N 3.49Å; E84-T86 VanDerWaalsContact C-N 3.35Å; T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 PolarHBondContact O-N 3.47Å; T86-S89 WeakPolarHBondContact O-CB 3.32Å; T86-S89 PolarHBondContact O-N 3.4Å; T86-D90 PolarHBondContact O-N 3.38Å
87I92.8Very high95Very high58 Ų5855.5 Ų55.530%0.29729%0.285SS..Hα-helixtrans-57.8-45.7176-67.5167.7000110.6V83 E84 D90 I91 V131 A135V83-I87 HydrophobicContact CG1-CD1 4.11Å; V83-I87 WeakPolarHBondContact O-CG1 3.43Å; V83-I87 PolarHBondContact O-N 2.87Å; E84-I87 PolarHBondContact O-N 3.46Å; I87-D90 PolarHBondContact O-N 3.34Å; I87-I91 HydrophobicContact CG2-CD1 3.77Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 2.89Å; I87-I91 PolarHBondContact O-N 3.18Å; I87-V131 HydrophobicContact CG2-CG1 3.85Å; I87-A135 HydrophobicContact CD1-CB 4.33Å
88A95.8Very high94.9Very high0 Ų062 Ų620%032%0.315CS..Hα-helixtrans-62.1-45.2178.800000111.4I73 E84 S85 T86 I91 L92 L124 F128 P157I73-A88 HydrophobicContact CD1-CB 4.01Å; E84-A88 WeakPolarHBondContact O-CB 3.42Å; E84-A88 PolarHBondContact O-N 3.32Å; S85-A88 PolarHBondContact O-N 3.1Å; T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 PolarHBondContact O-N 3.47Å; A88-I91 PolarHBondContact O-N 2.92Å; A88-L92 WeakPolarHBondContact O-CB 3.22Å; A88-L92 PolarHBondContact O-N 3.01Å; A88-L124 HydrophobicContact CB-CD2 4.11Å; A88-L124 WeakPolarHBondContact O-CD2 3.5Å; A88-F128 HydrophobicContact CB-CD2 4.31Å; A88-F128 HydrophobicContact CB-CE2 3.76Å; A88-P157 HydrophobicContact CB-CG 3.79Å
89S96.6Very high94.8Very high31 Ų3158.6 Ų58.622%0.21730%0.303CS..Hα-helixtrans-60.2-44.5177.9-168.90000111.7S85 T86 L92 R93S85-S89 WeakPolarHBondContact O-CB 3.36Å; S85-S89 PolarHBondContact O-N 2.91Å; T86-S89 WeakPolarHBondContact O-CB 3.32Å; T86-S89 PolarHBondContact O-N 3.4Å; S89-L92 PolarHBondContact O-N 2.81Å; S89-R93 WeakPolarHBondContact O-CB 3.4Å; S89-R93 PolarHBondContact O-N 2.96Å
90D95.9Very high94.7Very high64 Ų6452.2 Ų52.234%0.34227%0.269SS..Hα-helixtrans-65.7-45.2178.9-86.4-20.1000112.7T86 I87 L92 K94T86-D90 PolarHBondContact O-N 3.38Å; I87-D90 PolarHBondContact O-N 3.34Å; D90-L92 VanDerWaalsContact C-N 3.34Å; D90-K94 WeakPolarHBondContact O-CB 3.18Å; D90-K94 VanDerWaalsContact O-CG 3.29Å; D90-K94 WeakPolarHBondContact O-CG 3.34Å; D90-K94 PolarHBondContact O-N 2.96Å
91I96.8Very high94.5Very high48 Ų4851.5 Ų51.525%0.24627%0.269CS..Hα-helixtrans-64.9-43.6178-66.5167.9000110.1I87 A88 T95 L124 V131I87-I91 HydrophobicContact CG2-CD1 3.77Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 2.89Å; I87-I91 PolarHBondContact O-N 3.18Å; A88-I91 PolarHBondContact O-N 2.92Å; I91-T95 WeakPolarHBondContact O-CB 3.5Å; I91-T95 PolarHBondContact O-N 3.39Å; I91-T95 PolarHBondContact O-OG1 3.31Å; I91-L124 HydrophobicContact CB-CD1 4.18Å; I91-L124 HydrophobicContact CD1-CD1 4.44Å; I91-L124 HydrophobicContact CG2-CD1 3.82Å; I91-V131 HydrophobicContact CD1-CB 4.35Å; I91-V131 HydrophobicContact CD1-CG1 3.44Å; I91-V131 VanDerWaalsContact CD1-CG1 3.44Å; I91-V131 HydrophobicContact CD1-CG2 4.05Å
92L97.9Very high94.5Very high5 Ų554 Ų543%0.02629%0.289CS..Hα-helixtrans-56.6-54.8178178.560.6000110.7G71 I73 A88 S89 D90 T95 A96 Y117 A120 A121 L124 L158G71-L92 WeakPolarHBondContact O-CD2 3.47Å; I73-L92 HydrophobicContact CD1-CD2 3.85Å; I73-L92 HydrophobicContact CG1-CD2 4.16Å; A88-L92 WeakPolarHBondContact O-CB 3.22Å; A88-L92 PolarHBondContact O-N 3.01Å; S89-L92 PolarHBondContact O-N 2.81Å; D90-L92 VanDerWaalsContact C-N 3.34Å; L92-T95 PolarHBondContact O-N 3.44Å; L92-A96 VanDerWaalsContact O-CB 3.26Å; L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 3.42Å; L92-Y117 HydrophobicContact CD1-CD1 4.38Å; L92-Y117 HydrophobicContact CD2-CD1 4.36Å; L92-Y117 HydrophobicContact CG-CD1 4Å; L92-Y117 HydrophobicContact CG-CE1 4.32Å; L92-A120 HydrophobicContact CD1-CB 3.81Å; L92-A121 HydrophobicContact CD1-CB 3.86Å; L92-A121 VanDerWaalsContact CD1-N 3.32Å; L92-L124 HydrophobicContact CB-CD2 4.04Å; L92-L158 HydrophobicContact CD2-CD2 4.01Å
93R97.4Very high94.3Very high100 Ų10056.9 Ų56.938%0.37729%0.29SS..Hα-helixtrans-60-54.7-179.7-179.5175.870.889.3-5.4112.1S89 T95 A96 E97S89-R93 WeakPolarHBondContact O-CB 3.4Å; S89-R93 PolarHBondContact O-N 2.96Å; R93-T95 VanDerWaalsContact C-N 3.28Å; R93-T95 PolarHBondContact O-N 3.09Å; R93-A96 PolarHBondContact O-N 3.15Å; R93-A96 VanDerWaalsContact O-N 3.12Å; R93-E97 WeakPolarHBondContact CD-OE1 3.47Å; R93-E97 HydrophobicContact CG-CG 4.28Å; R93-E97 WeakPolarHBondContact CG-OE1 3.44Å; R93-E97 IonicContact NH1-OE1 3.22Å; R93-E97 PolarHBondContact NH1-OE1 2.98Å; R93-E97 VanDerWaalsContact NH1-OE1 3.11Å; R93-E97 IonicContact NH1-OE2 3.44Å; R93-E97 PolarHBondContact NH1-OE2 3.29Å; R93-E97 WeakPolarHBondContact O-CB 3.41Å; R93-E97 WeakPolarHBondContact O-CG 3.03Å; R93-E97 PolarHBondContact O-N 3.11Å
94K97Very high94.1Very high123 Ų12356.3 Ų56.354%0.53528%0.279SS..Hα-helixtrans-58-41.6-179.3-72.9173.1-179.5170.60111.9D90 H98D90-K94 WeakPolarHBondContact O-CB 3.18Å; D90-K94 VanDerWaalsContact O-CG 3.29Å; D90-K94 WeakPolarHBondContact O-CG 3.34Å; D90-K94 PolarHBondContact O-N 2.96Å; K94-H98 VanDerWaalsContact O-CB 3.24Å; K94-H98 WeakPolarHBondContact O-CB 3.46Å; K94-H98 PolarHBondContact O-N 2.84Å; K94-H98 VanDerWaalsContact O-N 3.08Å
95T97.2Very high93.6Very high39 Ų3962.8 Ų62.824%0.23931%0.307CS..Hα-helixtrans-67.9-42.8178.4-56.70000111.1I91 L92 R93 L99 A120 K123I91-T95 WeakPolarHBondContact O-CB 3.5Å; I91-T95 PolarHBondContact O-N 3.39Å; I91-T95 PolarHBondContact O-OG1 3.31Å; L92-T95 PolarHBondContact O-N 3.44Å; R93-T95 VanDerWaalsContact C-N 3.28Å; R93-T95 PolarHBondContact O-N 3.09Å; T95-L99 HydrophobicContact CG2-CD1 3.85Å; T95-L99 HydrophobicContact CG2-CG 4.46Å; T95-L99 WeakPolarHBondContact O-CB 3.43Å; T95-L99 WeakPolarHBondContact O-CD1 3.19Å; T95-L99 WeakPolarHBondContact O-CG 3.01Å; T95-L99 PolarHBondContact O-N 3.3Å; T95-A120 HydrophobicContact CG2-CB 3.78Å; T95-K123 HydrophobicContact CG2-CD 4.34Å
96A97Very high92.8Very high0 Ų072.6 Ų72.60%035%0.349CS..Hα-helixtrans-64.5-49.6179.300000112L92 R93 H98 L99 A100 S116 Y117 A120L92-A96 VanDerWaalsContact O-CB 3.26Å; L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 3.42Å; R93-A96 PolarHBondContact O-N 3.15Å; R93-A96 VanDerWaalsContact O-N 3.12Å; A96-H98 PolarHBondContact O-N 3.01Å; A96-L99 PolarHBondContact O-N 3.12Å; A96-A100 WeakPolarHBondContact O-CB 3.5Å; A96-A100 PolarHBondContact O-N 2.73Å; A96-S116 WeakPolarHBondContact O-CB 3.39Å; A96-Y117 HydrophobicContact CB-CD1 4.02Å; A96-Y117 HydrophobicContact CB-CD2 3.51Å; A96-Y117 HydrophobicContact CB-CE1 4.25Å; A96-Y117 HydrophobicContact CB-CE2 3.73Å; A96-Y117 HydrophobicContact CB-CG 3.66Å; A96-A120 HydrophobicContact CB-CB 3.93Å
97E94.5Very high92.2Very high77 Ų7776 Ų7636%0.3636%0.364SS..Hα-helixtrans-59.6-45.6177.8-70.4170.2-178.400111.1R93 L99 A100 V101R93-E97 WeakPolarHBondContact CD-OE1 3.47Å; R93-E97 HydrophobicContact CG-CG 4.28Å; R93-E97 WeakPolarHBondContact CG-OE1 3.44Å; R93-E97 IonicContact NH1-OE1 3.22Å; R93-E97 PolarHBondContact NH1-OE1 2.98Å; R93-E97 VanDerWaalsContact NH1-OE1 3.11Å; R93-E97 IonicContact NH1-OE2 3.44Å; R93-E97 PolarHBondContact NH1-OE2 3.29Å; R93-E97 WeakPolarHBondContact O-CB 3.41Å; R93-E97 WeakPolarHBondContact O-CG 3.03Å; R93-E97 PolarHBondContact O-N 3.11Å; E97-L99 PolarHBondContact O-N 2.82Å; E97-A100 PolarHBondContact O-N 2.86Å; E97-V101 WeakPolarHBondContact O-CG2 3.47Å; E97-V101 PolarHBondContact O-N 3.11Å
98H94.8Very high92Very high135 Ų13575.4 Ų75.463%0.62536%0.364SS*.Hα-helixtrans-61.5-43176.6178.976.3000112.4K94 A96 A100 S102K94-H98 VanDerWaalsContact O-CB 3.24Å; K94-H98 WeakPolarHBondContact O-CB 3.46Å; K94-H98 PolarHBondContact O-N 2.84Å; K94-H98 VanDerWaalsContact O-N 3.08Å; A96-H98 PolarHBondContact O-N 3.01Å; H98-A100 VanDerWaalsContact C-N 3.34Å; H98-S102 VanDerWaalsContact O-CB 3.23Å; H98-S102 WeakPolarHBondContact O-CB 3.3Å; H98-S102 PolarHBondContact O-N 2.96Å; H98-S102 PolarHBondContact O-OG 2.9Å
99L94.9Very high91.8Very high13 Ų1377.8 Ų77.87%0.06838%0.381CS..Hα-helixtrans-64.7-39.5176.6-74.8166.1000112.2T95 A96 E97 S102 R103 Y119 A120T95-L99 HydrophobicContact CG2-CD1 3.85Å; T95-L99 HydrophobicContact CG2-CG 4.46Å; T95-L99 WeakPolarHBondContact O-CB 3.43Å; T95-L99 WeakPolarHBondContact O-CD1 3.19Å; T95-L99 WeakPolarHBondContact O-CG 3.01Å; T95-L99 PolarHBondContact O-N 3.3Å; A96-L99 PolarHBondContact O-N 3.12Å; E97-L99 PolarHBondContact O-N 2.82Å; L99-S102 WeakPolarHBondContact CA-OG 3.42Å; L99-S102 PolarHBondContact O-OG 3.05Å; L99-R103 VanDerWaalsContact O-CB 3.29Å; L99-R103 WeakPolarHBondContact O-CB 3.47Å; L99-R103 WeakPolarHBondContact O-CG 3.47Å; L99-R103 PolarHBondContact O-N 3.4Å; L99-Y119 HydrophobicContact CD1-CD1 3.29Å; L99-Y119 HydrophobicContact CD1-CE1 3.71Å; L99-Y119 HydrophobicContact CD1-CG 4.34Å; L99-Y119 HydrophobicContact CD2-CD1 4.31Å; L99-Y119 HydrophobicContact CD2-CE1 4Å; L99-Y119 HydrophobicContact CG-CD1 4.45Å; L99-A120 HydrophobicContact CD1-CB 4.38Å
100A93.5Very high91.5Very high2 Ų282 Ų822%0.01740%0.4CS..Hα-helixtrans-64.2-49.7179.300000111.2A96 E97 H98 Y104 V108 L113A96-A100 WeakPolarHBondContact O-CB 3.5Å; A96-A100 PolarHBondContact O-N 2.73Å; E97-A100 PolarHBondContact O-N 2.86Å; H98-A100 VanDerWaalsContact C-N 3.34Å; A100-Y104 WeakPolarHBondContact O-CB 3.13Å; A100-Y104 WeakPolarHBondContact O-CD2 3.42Å; A100-Y104 PolarHBondContact O-N 2.82Å; A100-V108 HydrophobicContact CB-CG1 3.78Å; A100-V108 HydrophobicContact CB-CG2 4.1Å; A100-L113 HydrophobicContact CB-CD1 3.99Å
101V91.3Very high91.4Very high93 Ų9383.8 Ų83.856%0.56441%0.407SS*.Hα-helixtrans-65.7-44.8179174.60000111.6E97 R103 K105E97-V101 WeakPolarHBondContact O-CG2 3.47Å; E97-V101 PolarHBondContact O-N 3.11Å; V101-R103 PolarHBondContact O-N 2.84Å; V101-K105 VanDerWaalsContact O-CA 3.31Å; V101-K105 WeakPolarHBondContact O-CA 3.46Å; V101-K105 PolarHBondContact O-N 3.24Å
102S91.1Very high91.2Very high72 Ų7283.3 Ų83.350%0.50341%0.405SS..Hα-helixtrans-66.6-35.3-177.758.10000113.1H98 L99H98-S102 VanDerWaalsContact O-CB 3.23Å; H98-S102 WeakPolarHBondContact O-CB 3.3Å; H98-S102 PolarHBondContact O-N 2.96Å; H98-S102 PolarHBondContact O-OG 2.9Å; L99-S102 WeakPolarHBondContact CA-OG 3.42Å; L99-S102 PolarHBondContact O-OG 3.05Å
103R88.3Confident91.1Very high132 Ų13284.9 Ų84.950%0.49841%0.413SS..Hα-helixtrans-86.1-41.2-179.3-70.9-179.5169.7-166.1-5.4113.5L99 V101L99-R103 VanDerWaalsContact O-CB 3.29Å; L99-R103 WeakPolarHBondContact O-CB 3.47Å; L99-R103 WeakPolarHBondContact O-CG 3.47Å; L99-R103 PolarHBondContact O-N 3.4Å; V101-R103 PolarHBondContact O-N 2.84Å
104Y84.9Confident91Very high77 Ų7780.1 Ų80.130%0.30240%0.395SS..Hα-helixtrans-112.33.5-167.9-52.8-75.3000113.9A100 N112A100-Y104 WeakPolarHBondContact O-CB 3.13Å; A100-Y104 WeakPolarHBondContact O-CD2 3.42Å; A100-Y104 PolarHBondContact O-N 2.82Å; Y104-N112 HydrophobicContact CD1-CB 4.18Å; Y104-N112 WeakPolarHBondContact CD1-ND2 3.4Å; Y104-N112 HydrophobicContact CD2-CB 3.66Å; Y104-N112 HydrophobicContact CE1-CB 4.13Å; Y104-N112 WeakPolarHBondContact CE1-OD1 3.42Å; Y104-N112 HydrophobicContact CE2-CB 3.62Å; Y104-N112 HydrophobicContact CG-CB 3.94Å; Y104-N112 VanDerWaalsContact CZ-CG 3.47Å; Y104-N112 PolarHBondContact OH-OD1 3.12Å
105K80.6Confident91Very high169 Ų16977 Ų7774%0.73538%0.384SS*.THydrogen-bonded Turntrans59.1-144.9178.1-54.2179179.2177.50111.2V101 N107V101-K105 VanDerWaalsContact O-CA 3.31Å; V101-K105 WeakPolarHBondContact O-CA 3.46Å; V101-K105 PolarHBondContact O-N 3.24Å; K105-N107 PolarHBondContact O-N 3Å
106K76.8Confident90.9Very high207 Ų20775.2 Ų75.290%0.937%0.373SS*.THydrogen-bonded Turntrans-71.6-25.8-167.8-71.4-173.6176.6-177.40115.1
107N82Confident91Very high150 Ų15076.2 Ų76.280%0.80238%0.377SS*.  trans-109.575.3-176.1-70.4-1.5000110.6K105 S109K105-N107 PolarHBondContact O-N 3Å; N107-S109 PolarHBondContact O-N 3.42Å
108V87Confident91.1Very high47 Ų4773.5 Ų73.529%0.28536%0.363SS..  trans-75.8114.6175.4-177.90000108.9A100 N112 L113A100-V108 HydrophobicContact CB-CG1 3.78Å; A100-V108 HydrophobicContact CB-CG2 4.1Å; V108-N112 HydrophobicContact CG1-CB 4.27Å; V108-L113 HydrophobicContact CG1-CB 3.87Å
109S91.4Very high91.2Very high50 Ų5070.1 Ų70.135%0.3535%0.345SS..  trans-69.7154.4169.765.70000111.3N107 E111 N112 L113N107-S109 PolarHBondContact O-N 3.42Å; S109-E111 PolarHBondContact O-N 2.88Å; S109-N112 PolarHBondContact O-N 3.46Å; S109-N112 WeakPolarHBondContact OG-CB 3.5Å; S109-N112 PolarHBondContact OG-N 3.47Å; S109-N112 PolarHBondContact OG-ND2 2.99Å; S109-L113 PolarHBondContact O-N 3.45Å
110N91.7Very high91.3Very high118 Ų11869.5 Ų69.563%0.63134%0.343SS*.Hα-helixtrans-54.8-39.8175.9-71.6-5.3000112.2L113 M114N110-L113 PolarHBondContact O-N 3.28Å; N110-M114 WeakPolarHBondContact O-CB 3.12Å; N110-M114 PolarHBondContact O-N 2.67Å
111E93Very high91.5Very high103 Ų10369.4 Ų69.448%0.48134%0.342SS..Hα-helixtrans-60.2-46.6175.5-174.5180-172.600112.2S109 L113 M114 L115 T389S109-E111 PolarHBondContact O-N 2.88Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 3.16Å; E111-M114 HydrophobicContact CG-CE 4.38Å; E111-M114 WeakPolarHBondContact O-CB 3.15Å; E111-M114 PolarHBondContact O-N 3.08Å; E111-L115 HydrophobicContact CG-CD1 4.37Å; E111-L115 VanDerWaalsContact O-CG 3.31Å; E111-L115 WeakPolarHBondContact O-CG 3.34Å; E111-L115 PolarHBondContact O-N 2.86Å; E111-T389 HydrophobicContact CB-CG2 4.07Å
112N93.9Very high91.8Very high37 Ų3768.3 Ų68.320%0.19833%0.327CS..Hα-helixtrans-67.2-34.2178.5-77.8-32.8000112.4Y104 V108 S109 S116Y104-N112 HydrophobicContact CD1-CB 4.18Å; Y104-N112 WeakPolarHBondContact CD1-ND2 3.4Å; Y104-N112 HydrophobicContact CD2-CB 3.66Å; Y104-N112 HydrophobicContact CE1-CB 4.13Å; Y104-N112 WeakPolarHBondContact CE1-OD1 3.42Å; Y104-N112 HydrophobicContact CE2-CB 3.62Å; Y104-N112 HydrophobicContact CG-CB 3.94Å; Y104-N112 VanDerWaalsContact CZ-CG 3.47Å; Y104-N112 PolarHBondContact OH-OD1 3.12Å; V108-N112 HydrophobicContact CG1-CB 4.27Å; S109-N112 PolarHBondContact O-N 3.46Å; S109-N112 WeakPolarHBondContact OG-CB 3.5Å; S109-N112 PolarHBondContact OG-N 3.47Å; S109-N112 PolarHBondContact OG-ND2 2.99Å; N112-S116 WeakPolarHBondContact O-CB 3.49Å; N112-S116 PolarHBondContact O-N 2.83Å; N112-S116 PolarHBondContact O-OG 3.02Å
113L95.1Very high92.1Very high38 Ų3868.8 Ų68.820%0.19932%0.32CS..Hα-helixtrans-65.5-49.9173.1-17555.3000110.7A100 V108 S109 N110 E111 L115 S116 Y117 C386A100-L113 HydrophobicContact CB-CD1 3.99Å; V108-L113 HydrophobicContact CG1-CB 3.87Å; S109-L113 PolarHBondContact O-N 3.45Å; N110-L113 PolarHBondContact O-N 3.28Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 3.16Å; L113-L115 PolarHBondContact O-N 2.96Å; L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 VanDerWaalsContact O-CB 3.31Å; L113-S116 WeakPolarHBondContact O-CB 3.46Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-Y117 HydrophobicContact CD1-CD2 4.1Å; L113-Y117 HydrophobicContact CD1-CE2 3.86Å; L113-Y117 HydrophobicContact CG-CD2 4.23Å; L113-Y117 HydrophobicContact CG-CE2 4.12Å; L113-Y117 WeakPolarHBondContact O-CD2 3.36Å; L113-Y117 PolarHBondContact O-N 2.99Å; L113-C386 HydrophobicContact CD2-CB 3.72Å; L113-C386 HydrophobicContact CG-CB 4.21Å
114M95.8Very high92.5Very high0 Ų062.6 Ų62.60%030%0.297CS..Hα-helixtrans-53.3-50.7174.5172.9-171.269.400111.5E61 T62 N110 E111 S116 Y117 R118 C386 T387 T389E61-M114 VanDerWaalsContact CD-SD 3.58Å; E61-M114 HydrophobicContact CG-CE 4.44Å; E61-M114 HydrophobicContact CG-SD 3.92Å; T62-M114 HydrophobicContact CG2-CE 3.69Å; T62-M114 WeakPolarHBondContact OG1-CE 3.16Å; N110-M114 WeakPolarHBondContact O-CB 3.12Å; N110-M114 PolarHBondContact O-N 2.67Å; E111-M114 HydrophobicContact CG-CE 4.38Å; E111-M114 WeakPolarHBondContact O-CB 3.15Å; E111-M114 PolarHBondContact O-N 3.08Å; M114-S116 PolarHBondContact O-N 2.88Å; M114-Y117 WeakPolarHBondContact O-CB 3.41Å; M114-Y117 PolarHBondContact O-N 2.98Å; M114-Y117 VanDerWaalsContact O-N 3.1Å; M114-R118 WeakPolarHBondContact O-CG 3.32Å; M114-R118 PolarHBondContact O-N 2.93Å; M114-C386 WeakPolarHBondContact CA-O 3.34Å; M114-C386 WeakPolarHBondContact CB-O 3.48Å; M114-C386 PolarHBondContact N-O 3.35Å; M114-T387 WeakPolarHBondContact CG-O 3.28Å; M114-T389 HydrophobicContact CE-CG2 3.98Å; M114-T389 HydrophobicContact SD-CG2 4.05Å
115L95.6Very high93.1Very high57 Ų5760.4 Ų60.430%0.29830%0.295SS..Hα-helixtrans-60.5-34178.4-70.2175.2000112.1E111 L113 R118 Y119E111-L115 HydrophobicContact CG-CD1 4.37Å; E111-L115 VanDerWaalsContact O-CG 3.31Å; E111-L115 WeakPolarHBondContact O-CG 3.34Å; E111-L115 PolarHBondContact O-N 2.86Å; L113-L115 PolarHBondContact O-N 2.96Å; L115-R118 PolarHBondContact O-N 2.8Å; L115-Y119 WeakPolarHBondContact O-CB 3.35Å; L115-Y119 PolarHBondContact O-N 3.15Å
116S96.5Very high93.9Very high2 Ų260 Ų601%0.01429%0.289CS..Hα-helixtrans-67.2-39.7175.2-59.20000112A96 N112 L113 M114 Y119 A120A96-S116 WeakPolarHBondContact O-CB 3.39Å; N112-S116 WeakPolarHBondContact O-CB 3.49Å; N112-S116 PolarHBondContact O-N 2.83Å; N112-S116 PolarHBondContact O-OG 3.02Å; L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 VanDerWaalsContact O-CB 3.31Å; L113-S116 WeakPolarHBondContact O-CB 3.46Å; L113-S116 PolarHBondContact O-N 3.14Å; M114-S116 PolarHBondContact O-N 2.88Å; S116-Y119 PolarHBondContact O-N 3.26Å; S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.3Å; S116-A120 PolarHBondContact O-N 3.31Å
117Y97.8Very high94.8Very high22 Ų2252.6 Ų52.69%0.08626%0.263CS..Hα-helixtrans-61.4-44.3172.3-91.7-95.1000112.5L92 A96 L113 M114 Y119 A120 A121 C386 T387L92-Y117 HydrophobicContact CD1-CD1 4.38Å; L92-Y117 HydrophobicContact CD2-CD1 4.36Å; L92-Y117 HydrophobicContact CG-CD1 4Å; L92-Y117 HydrophobicContact CG-CE1 4.32Å; A96-Y117 HydrophobicContact CB-CD1 4.02Å; A96-Y117 HydrophobicContact CB-CD2 3.51Å; A96-Y117 HydrophobicContact CB-CE1 4.25Å; A96-Y117 HydrophobicContact CB-CE2 3.73Å; A96-Y117 HydrophobicContact CB-CG 3.66Å; L113-Y117 HydrophobicContact CD1-CD2 4.1Å; L113-Y117 HydrophobicContact CD1-CE2 3.86Å; L113-Y117 HydrophobicContact CG-CD2 4.23Å; L113-Y117 HydrophobicContact CG-CE2 4.12Å; L113-Y117 WeakPolarHBondContact O-CD2 3.36Å; L113-Y117 PolarHBondContact O-N 2.99Å; M114-Y117 WeakPolarHBondContact O-CB 3.41Å; M114-Y117 PolarHBondContact O-N 2.98Å; M114-Y117 VanDerWaalsContact O-N 3.1Å; Y117-Y119 PolarHBondContact O-N 2.95Å; Y117-A120 PolarHBondContact O-N 2.88Å; Y117-A121 WeakPolarHBondContact O-CB 3.44Å; Y117-A121 PolarHBondContact O-N 2.87Å; Y117-C386 WeakPolarHBondContact CE2-SG 3.42Å; Y117-T387 HydrophobicContact CD1-CG2 3.85Å; Y117-T387 HydrophobicContact CE1-CG2 4.33Å; Y117-T387 HydrophobicContact CG-CG2 3.97Å
118R97Very high95.4Very high19 Ų1945.6 Ų45.67%0.07223%0.226CC..Hα-helixtrans-64.6-41.3178.2-62.9177.1171.5-138-1.9112.3E61 T62 F69 M114 L115 A121 R122E61-R118 VanDerWaalsContact CG-NH2 3.33Å; E61-R118 PolarHBondContact O-NH1 2.83Å; E61-R118 PolarHBondContact O-NH2 3.18Å; T62-R118 VanDerWaalsContact OG1-CZ 3.29Å; T62-R118 PolarHBondContact OG1-NH1 2.98Å; F69-R118 VanDerWaalsContact O-CG 3.26Å; F69-R118 WeakPolarHBondContact O-CG 3.48Å; M114-R118 WeakPolarHBondContact O-CG 3.32Å; M114-R118 PolarHBondContact O-N 2.93Å; L115-R118 PolarHBondContact O-N 2.8Å; R118-A121 PolarHBondContact O-N 2.87Å; R118-R122 PolarHBondContact O-N 2.87Å; R118-R122 VanDerWaalsContact O-N 3.11Å
119Y96.2Very high95.6Very high64 Ų6446.8 Ų46.825%0.25123%0.228SC..Hα-helixtrans-66.3-41.9174.6-178.6-80.4000111.7L99 L115 S116 Y117 R122 K123L99-Y119 HydrophobicContact CD1-CD1 3.29Å; L99-Y119 HydrophobicContact CD1-CE1 3.71Å; L99-Y119 HydrophobicContact CD1-CG 4.34Å; L99-Y119 HydrophobicContact CD2-CD1 4.31Å; L99-Y119 HydrophobicContact CD2-CE1 4Å; L99-Y119 HydrophobicContact CG-CD1 4.45Å; L115-Y119 WeakPolarHBondContact O-CB 3.35Å; L115-Y119 PolarHBondContact O-N 3.15Å; S116-Y119 PolarHBondContact O-N 3.26Å; Y117-Y119 PolarHBondContact O-N 2.95Å; Y119-R122 VanDerWaalsContact CD2-NH2 3.3Å; Y119-R122 PolarHBondContact O-N 3.38Å; Y119-K123 HydrophobicContact CD1-CD 4.18Å; Y119-K123 HydrophobicContact CD1-CG 4.4Å; Y119-K123 HydrophobicContact CE1-CD 3.57Å; Y119-K123 HydrophobicContact CE1-CG 3.99Å; Y119-K123 PolarHBondContact O-N 2.87Å; Y119-K123 VanDerWaalsContact O-N 3.08Å; Y119-K123 WeakPolarHBondContact OH-CE 3.44Å
120A97.6Very high95.6Very high1 Ų146.2 Ų46.21%0.00823%0.23CC..Hα-helixtrans-62.1-42.9175.500000111.5L92 T95 A96 L99 S116 Y117 R122 K123 L124L92-A120 HydrophobicContact CD1-CB 3.81Å; T95-A120 HydrophobicContact CG2-CB 3.78Å; A96-A120 HydrophobicContact CB-CB 3.93Å; L99-A120 HydrophobicContact CD1-CB 4.38Å; S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.3Å; S116-A120 PolarHBondContact O-N 3.31Å; Y117-A120 PolarHBondContact O-N 2.88Å; A120-R122 VanDerWaalsContact C-N 3.32Å; A120-R122 PolarHBondContact O-N 3Å; A120-K123 WeakPolarHBondContact O-CB 3.38Å; A120-K123 PolarHBondContact O-N 3.27Å; A120-K123 VanDerWaalsContact O-N 3.09Å; A120-L124 WeakPolarHBondContact O-CB 3.45Å; A120-L124 PolarHBondContact O-N 2.89Å
121A98.1Very high95.5Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-57.4-44173.800000111.7F69 L92 Y117 R118 K123 L124 A125 L158F69-A121 HydrophobicContact CB-CB 3.79Å; F69-A121 HydrophobicContact CD1-CB 4.47Å; F69-A121 HydrophobicContact CG-CB 4.14Å; L92-A121 HydrophobicContact CD1-CB 3.86Å; L92-A121 VanDerWaalsContact CD1-N 3.32Å; Y117-A121 WeakPolarHBondContact O-CB 3.44Å; Y117-A121 PolarHBondContact O-N 2.87Å; R118-A121 PolarHBondContact O-N 2.87Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.27Å; A121-L124 PolarHBondContact O-N 3.43Å; A121-A125 WeakPolarHBondContact O-CB 3.33Å; A121-A125 PolarHBondContact O-N 3.34Å; A121-L158 HydrophobicContact CB-CD1 4.05Å; A121-L158 HydrophobicContact CB-CD2 3.81Å; A121-L158 WeakPolarHBondContact O-CD1 3.3Å
122R97Very high95.1Very high69 Ų6939.5 Ų39.526%0.2620%0.196SC..Hα-helixtrans-63.9-35.7175.9-171.2176.260115.32113.2F69 R118 Y119 A120F69-R122 HydrophobicContact CD2-CB 3.87Å; F69-R122 HydrophobicContact CD2-CG 4.25Å; F69-R122 HydrophobicContact CE2-CB 4.29Å; F69-R122 HydrophobicContact CE2-CG 4.32Å; R118-R122 PolarHBondContact O-N 2.87Å; R118-R122 VanDerWaalsContact O-N 3.11Å; Y119-R122 VanDerWaalsContact CD2-NH2 3.3Å; Y119-R122 PolarHBondContact O-N 3.38Å; A120-R122 VanDerWaalsContact C-N 3.32Å; A120-R122 PolarHBondContact O-N 3Å
123K97.3Very high94.8Very high82 Ų8242 Ų4236%0.35721%0.209SC..Hα-helixtrans-66.2-49.3172.5-81.4-175.1163.31770110.6T95 Y119 A120 A121 A125 R126 S127T95-K123 HydrophobicContact CG2-CD 4.34Å; Y119-K123 HydrophobicContact CD1-CD 4.18Å; Y119-K123 HydrophobicContact CD1-CG 4.4Å; Y119-K123 HydrophobicContact CE1-CD 3.57Å; Y119-K123 HydrophobicContact CE1-CG 3.99Å; Y119-K123 PolarHBondContact O-N 2.87Å; Y119-K123 VanDerWaalsContact O-N 3.08Å; Y119-K123 WeakPolarHBondContact OH-CE 3.44Å; A120-K123 WeakPolarHBondContact O-CB 3.38Å; A120-K123 PolarHBondContact O-N 3.27Å; A120-K123 VanDerWaalsContact O-N 3.09Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.27Å; K123-A125 PolarHBondContact O-N 2.95Å; K123-R126 PolarHBondContact O-N 3.48Å; K123-S127 PolarHBondContact O-N 3.13Å; K123-S127 VanDerWaalsContact O-N 3.15Å; K123-S127 PolarHBondContact O-OG 3.23Å
124L97.7Very high94.4Very high3 Ų347.4 Ų47.42%0.01623%0.23CC..Hα-helixtrans-59.3-45.9-179.9-179.760.2000111.8A88 I91 L92 A120 A121 R126 S127 F128 A156 L158A88-L124 HydrophobicContact CB-CD2 4.11Å; A88-L124 WeakPolarHBondContact O-CD2 3.5Å; I91-L124 HydrophobicContact CB-CD1 4.18Å; I91-L124 HydrophobicContact CD1-CD1 4.44Å; I91-L124 HydrophobicContact CG2-CD1 3.82Å; L92-L124 HydrophobicContact CB-CD2 4.04Å; A120-L124 WeakPolarHBondContact O-CB 3.45Å; A120-L124 PolarHBondContact O-N 2.89Å; A121-L124 PolarHBondContact O-N 3.43Å; L124-R126 PolarHBondContact O-N 3.04Å; L124-R126 VanDerWaalsContact O-N 3.1Å; L124-S127 PolarHBondContact O-N 3.31Å; L124-S127 PolarHBondContact O-OG 3Å; L124-F128 HydrophobicContact CD1-CB 4.35Å; L124-F128 HydrophobicContact CD1-CD2 4.04Å; L124-F128 WeakPolarHBondContact O-CA 3.38Å; L124-F128 VanDerWaalsContact O-CB 3.23Å; L124-F128 WeakPolarHBondContact O-CB 3.44Å; L124-F128 PolarHBondContact O-N 3.48Å; L124-A156 HydrophobicContact CG-CB 4.32Å; L124-L158 HydrophobicContact CB-CD1 4.23Å; L124-L158 HydrophobicContact CD2-CD1 4.26Å; L124-L158 HydrophobicContact CD2-CD2 4.28Å; L124-L158 HydrophobicContact CD2-CG 4.45Å; L124-L158 HydrophobicContact CG-CD1 4.27Å
125A97.1Very high93.7Very high31 Ų3148.8 Ų48.826%0.25624%0.242SC..Hα-helixtrans-53.7-34.6178.300000112.9I47 F69 A121 K123 L158I47-A125 HydrophobicContact CD1-CB 4.21Å; F69-A125 HydrophobicContact CE1-CB 4.05Å; F69-A125 HydrophobicContact CE2-CB 3.87Å; F69-A125 HydrophobicContact CZ-CB 3.41Å; F69-A125 VanDerWaalsContact CZ-CB 3.41Å; A121-A125 WeakPolarHBondContact O-CB 3.33Å; A121-A125 PolarHBondContact O-N 3.34Å; K123-A125 PolarHBondContact O-N 2.95Å; A125-L158 HydrophobicContact CB-CD1 3.91Å
126R96.4Very high92.8Very high159 Ų15947 Ų4760%0.623%0.234SC*.Hα-helixtrans-82.8-30.9177.4-68.7-173.4-66.4-112-2.8113.7K123 L124K123-R126 PolarHBondContact O-N 3.48Å; L124-R126 PolarHBondContact O-N 3.04Å; L124-R126 VanDerWaalsContact O-N 3.1Å
127S95.8Very high92.2Very high52 Ų5252.5 Ų52.536%0.36426%0.259SS..Hα-helixtrans-97.9-12.7-174.7640000114.3K123 L124 E129 G130 V131K123-S127 PolarHBondContact O-N 3.13Å; K123-S127 VanDerWaalsContact O-N 3.15Å; K123-S127 PolarHBondContact O-OG 3.23Å; L124-S127 PolarHBondContact O-N 3.31Å; L124-S127 PolarHBondContact O-OG 3Å; S127-E129 VanDerWaalsContact C-N 3.33Å; S127-E129 PolarHBondContact O-N 3.48Å; S127-G130 PolarHBondContact O-N 3.27Å; S127-G130 VanDerWaalsContact O-N 3.11Å; S127-V131 WeakPolarHBondContact O-CG2 3.19Å; S127-V131 PolarHBondContact O-N 3.15Å
128F95.3Very high91.4Very high3 Ų357.4 Ų57.41%0.01328%0.283CS..Hα-helixtrans-58.8-41.1-168.6-177.3-101.2000113.1E84 A88 L124 G130 V131 R132 L153 K155 A156E84-F128 HydrophobicContact CB-CZ 4.27Å; A88-F128 HydrophobicContact CB-CD2 4.31Å; A88-F128 HydrophobicContact CB-CE2 3.76Å; L124-F128 HydrophobicContact CD1-CB 4.35Å; L124-F128 HydrophobicContact CD1-CD2 4.04Å; L124-F128 WeakPolarHBondContact O-CA 3.38Å; L124-F128 VanDerWaalsContact O-CB 3.23Å; L124-F128 WeakPolarHBondContact O-CB 3.44Å; L124-F128 PolarHBondContact O-N 3.48Å; F128-G130 VanDerWaalsContact C-N 3.32Å; F128-G130 PolarHBondContact O-N 2.66Å; F128-V131 WeakPolarHBondContact O-CB 3.23Å; F128-V131 PolarHBondContact O-N 3.11Å; F128-V131 VanDerWaalsContact O-N 3.17Å; F128-R132 VanDerWaalsContact O-CB 3.25Å; F128-R132 WeakPolarHBondContact O-CB 3.42Å; F128-R132 PolarHBondContact O-N 3.22Å; F128-L153 HydrophobicContact CE1-CB 4.19Å; F128-K155 WeakPolarHBondContact CE1-O 3.42Å; F128-A156 HydrophobicContact CB-CB 3.68Å; F128-A156 VanDerWaalsContact CD1-CA 3.42Å; F128-A156 HydrophobicContact CD1-CB 4.04Å; F128-A156 HydrophobicContact CD2-CB 3.89Å; F128-A156 HydrophobicContact CG-CB 3.59Å
129E91.7Very high90.4Very high73 Ų7359.7 Ų59.734%0.34130%0.296SS..Hα-helixtrans-59.2-43.7177.918059.4-16800111.9S127 R132 L133S127-E129 VanDerWaalsContact C-N 3.33Å; S127-E129 PolarHBondContact O-N 3.48Å; E129-R132 VanDerWaalsContact CD-NH2 3.29Å; E129-R132 WeakPolarHBondContact O-CB 3.37Å; E129-R132 PolarHBondContact O-N 2.93Å; E129-R132 IonicContact OE1-CZ 2.88Å; E129-R132 IonicContact OE1-NE 2.84Å; E129-R132 IonicContact OE1-NH2 3.04Å; E129-R132 PolarHBondContact OE1-NH2 3.43Å; E129-R132 IonicContact OE2-CZ 3.28Å; E129-R132 IonicContact OE2-NE 2.71Å; E129-R132 PolarHBondContact OE2-NE 3.24Å; E129-R132 IonicContact OE2-NH2 2.98Å; E129-R132 PolarHBondContact OE2-NH2 3.48Å; E129-L133 HydrophobicContact CG-CD1 4.31Å; E129-L133 WeakPolarHBondContact O-CG 3.49Å; E129-L133 PolarHBondContact O-N 3.43Å
130G91.8Very high89.5Confident37 Ų3765 Ų6538%0.38132%0.315SS..Hα-helixtrans-68.5-36.1176.200000113.4S127 F128 K134S127-G130 PolarHBondContact O-N 3.27Å; S127-G130 VanDerWaalsContact O-N 3.11Å; F128-G130 VanDerWaalsContact C-N 3.32Å; F128-G130 PolarHBondContact O-N 2.66Å; G130-K134 WeakPolarHBondContact O-CG 3.18Å; G130-K134 PolarHBondContact O-N 2.8Å
131V88.3Confident88.7Confident40 Ų4071.1 Ų71.124%0.24235%0.348CS..Hα-helixtrans-62.1-46.7173.7169.50000110.3I87 I91 S127 F128 K134 A135I87-V131 HydrophobicContact CG2-CG1 3.85Å; I91-V131 HydrophobicContact CD1-CB 4.35Å; I91-V131 HydrophobicContact CD1-CG1 3.44Å; I91-V131 VanDerWaalsContact CD1-CG1 3.44Å; I91-V131 HydrophobicContact CD1-CG2 4.05Å; S127-V131 WeakPolarHBondContact O-CG2 3.19Å; S127-V131 PolarHBondContact O-N 3.15Å; F128-V131 WeakPolarHBondContact O-CB 3.23Å; F128-V131 PolarHBondContact O-N 3.11Å; F128-V131 VanDerWaalsContact O-N 3.17Å; V131-K134 PolarHBondContact O-N 2.86Å; V131-A135 PolarHBondContact O-N 2.82Å
132R85.7Confident87.8Confident40 Ų4075.3 Ų75.315%0.15137%0.374CS..Hα-helixtrans-61.8-49.4-179.4-175.9-167.878.864-5.1111.8F128 E129 K134 A135 V136 V152 L153F128-R132 VanDerWaalsContact O-CB 3.25Å; F128-R132 WeakPolarHBondContact O-CB 3.42Å; F128-R132 PolarHBondContact O-N 3.22Å; E129-R132 VanDerWaalsContact CD-NH2 3.29Å; E129-R132 WeakPolarHBondContact O-CB 3.37Å; E129-R132 PolarHBondContact O-N 2.93Å; E129-R132 IonicContact OE1-CZ 2.88Å; E129-R132 IonicContact OE1-NE 2.84Å; E129-R132 IonicContact OE1-NH2 3.04Å; E129-R132 PolarHBondContact OE1-NH2 3.43Å; E129-R132 IonicContact OE2-CZ 3.28Å; E129-R132 IonicContact OE2-NE 2.71Å; E129-R132 PolarHBondContact OE2-NE 3.24Å; E129-R132 IonicContact OE2-NH2 2.98Å; E129-R132 PolarHBondContact OE2-NH2 3.48Å; R132-K134 VanDerWaalsContact C-N 3.32Å; R132-K134 PolarHBondContact O-N 2.81Å; R132-A135 PolarHBondContact O-N 3.35Å; R132-V136 WeakPolarHBondContact O-CG2 3.35Å; R132-V136 PolarHBondContact O-N 3.5Å; R132-V152 HydrophobicContact CG-CG1 3.86Å; R132-L153 WeakPolarHBondContact CD-O 3.16Å
133L86.9Confident86.1Confident90 Ų9078 Ų7847%0.47139%0.389SS..Hα-helixtrans-58.8-42.6178.8-72.7171.7000112.1E129 V136 E137E129-L133 HydrophobicContact CG-CD1 4.31Å; E129-L133 WeakPolarHBondContact O-CG 3.49Å; E129-L133 PolarHBondContact O-N 3.43Å; L133-V136 PolarHBondContact O-N 3.41Å; L133-E137 WeakPolarHBondContact O-CB 3.17Å; L133-E137 PolarHBondContact O-N 3.24Å
134K86.6Confident84.1Confident151 Ų15185 Ų8566%0.65742%0.419SS*.Hα-helixtrans-64.5-39.7175.9-71.7176.9-179.4-174.80112.8G130 V131 R132 E137 H138G130-K134 WeakPolarHBondContact O-CG 3.18Å; G130-K134 PolarHBondContact O-N 2.8Å; V131-K134 PolarHBondContact O-N 2.86Å; R132-K134 VanDerWaalsContact C-N 3.32Å; R132-K134 PolarHBondContact O-N 2.81Å; K134-E137 PolarHBondContact O-N 3.33Å; K134-H138 WeakPolarHBondContact O-CB 3.33Å; K134-H138 PolarHBondContact O-N 3.18Å
135A81.1Confident81.8Confident29 Ų2988.2 Ų88.224%0.2444%0.442CS..Hα-helixtrans-65.3-44177.300000111.5I87 V131 R132 H138 L139I87-A135 HydrophobicContact CD1-CB 4.33Å; V131-A135 PolarHBondContact O-N 2.82Å; R132-A135 PolarHBondContact O-N 3.35Å; A135-H138 PolarHBondContact O-N 3.15Å; A135-L139 WeakPolarHBondContact O-CG 3.47Å; A135-L139 PolarHBondContact O-N 3.1Å
136V77.9Confident79.7Confident21 Ų2195.7 Ų95.713%0.12747%0.472CS..Hα-helixtrans-63.3-42.8176.3172.40000111.4R132 L133 L139 R140 L148R132-V136 WeakPolarHBondContact O-CG2 3.35Å; R132-V136 PolarHBondContact O-N 3.5Å; L133-V136 PolarHBondContact O-N 3.41Å; V136-L139 PolarHBondContact O-N 3.03Å; V136-R140 HydrophobicContact CG1-CG 4.47Å; V136-R140 WeakPolarHBondContact O-CG 3.16Å; V136-R140 PolarHBondContact O-N 2.88Å; V136-L148 HydrophobicContact CG1-CD2 4.21Å; V136-L148 HydrophobicContact CG2-CD2 4.32Å
137E82.7Confident77.4Confident117 Ų11799 Ų9955%0.54748%0.484SS..Hα-helixtrans-61.2-44.4176-177173.9-158.600111.9L133 K134 L139 R140 N141L133-E137 WeakPolarHBondContact O-CB 3.17Å; L133-E137 PolarHBondContact O-N 3.24Å; K134-E137 PolarHBondContact O-N 3.33Å; E137-L139 PolarHBondContact O-N 3.1Å; E137-R140 PolarHBondContact O-N 3.48Å; E137-N141 VanDerWaalsContact O-CG 3.26Å; E137-N141 PolarHBondContact O-N 3.04Å; E137-N141 PolarHBondContact O-ND2 3.18Å
138H80.7Confident75.4Confident125 Ų125100.4 Ų100.458%0.57949%0.488SS*.Hα-helixtrans-62.4-41.8176.8-17167.7000112.5K134 A135 N141 T142K134-H138 WeakPolarHBondContact O-CB 3.33Å; K134-H138 PolarHBondContact O-N 3.18Å; A135-H138 PolarHBondContact O-N 3.15Å; H138-N141 PolarHBondContact O-N 3.2Å; H138-T142 PolarHBondContact O-N 3.13Å; H138-T142 VanDerWaalsContact O-N 3.11Å; H138-T142 PolarHBondContact O-OG1 3.39Å
139L76.1Confident73.3Confident66 Ų66105.3 Ų105.335%0.34652%0.518SS..Hα-helixtrans-66-41.4176.8-73.5170.8000112.4A135 V136 E137 N141 T142 Q143A135-L139 WeakPolarHBondContact O-CG 3.47Å; A135-L139 PolarHBondContact O-N 3.1Å; V136-L139 PolarHBondContact O-N 3.03Å; E137-L139 PolarHBondContact O-N 3.1Å; L139-N141 VanDerWaalsContact C-N 3.28Å; L139-N141 PolarHBondContact O-N 3.41Å; L139-T142 WeakPolarHBondContact CA-OG1 3.01Å; L139-T142 PolarHBondContact O-N 3.13Å; L139-T142 PolarHBondContact O-OG1 3.17Å; L139-Q143 PolarHBondContact O-N 3.4Å
140R76.8Confident71.8Confident176 Ų176108.9 Ų108.966%0.66454%0.539SS*.Hα-helixtrans-61.2-37.3174.4-76.7177.3177.4170-0.5112.3V136 E137 T142V136-R140 HydrophobicContact CG1-CG 4.47Å; V136-R140 WeakPolarHBondContact O-CG 3.16Å; V136-R140 PolarHBondContact O-N 2.88Å; E137-R140 PolarHBondContact O-N 3.48Å; R140-T142 VanDerWaalsContact C-N 3.34Å
141N81.2Confident70.4Confident129 Ų129110.7 Ų110.769%0.6955%0.546SS*.Hα-helixtrans-73.8-24.9177.8-68.3-18.6000113E137 H138 L139E137-N141 VanDerWaalsContact O-CG 3.26Å; E137-N141 PolarHBondContact O-N 3.04Å; E137-N141 PolarHBondContact O-ND2 3.18Å; H138-N141 PolarHBondContact O-N 3.2Å; L139-N141 VanDerWaalsContact C-N 3.28Å; L139-N141 PolarHBondContact O-N 3.41Å
142T79.5Confident69.9Low89 Ų89111 Ų11155%0.54655%0.548SS..Hα-helixtrans-97.6-27.4-177.540.20000114.1H138 L139 R140H138-T142 PolarHBondContact O-N 3.13Å; H138-T142 VanDerWaalsContact O-N 3.11Å; H138-T142 PolarHBondContact O-OG1 3.39Å; L139-T142 WeakPolarHBondContact CA-OG1 3.01Å; L139-T142 PolarHBondContact O-N 3.13Å; L139-T142 PolarHBondContact O-OG1 3.17Å; R140-T142 VanDerWaalsContact C-N 3.34Å
143Q62.6Low70Confident125 Ų125109.8 Ų109.858%0.58454%0.544SS*.  trans-126119.1178.9-61.9-169.27.300111.5L139 S145L139-Q143 PolarHBondContact O-N 3.4Å; Q143-S145 PolarHBondContact O-N 2.92Å
144K54Low70.1Confident228 Ų228110.3 Ų110.399%0.99155%0.551SS**  trans-7157.6168.4-72.9-175.6175-179.80111.7
145S49.1Very low70.4Confident71 Ų71108.5 Ų108.550%0.49754%0.543SS..  trans-126.8120.4-178.3-169.10000112.7Q143 R147Q143-S145 PolarHBondContact O-N 2.92Å; S145-R147 PolarHBondContact O-N 3.25Å
146E53.2Low71.2Confident188 Ų188107.1 Ų107.188%0.87953%0.532SS*.SBendtrans-73.14179.3-77.5176.1146.800114.7L148E146-L148 PolarHBondContact O-N 3.35Å
147R47.9Very low72.1Confident229 Ų229106.1 Ų106.186%0.86453%0.526SS*.  trans-98.232.5-174.2-60.9-165.8-156.7-156.65115.6S145S145-R147 PolarHBondContact O-N 3.25Å
148L53.4Low72.8Confident82 Ų82100.5 Ų100.543%0.42950%0.5SS..  trans-10222178.7-13896.8000114V136 E146V136-L148 HydrophobicContact CG1-CD2 4.21Å; V136-L148 HydrophobicContact CG2-CD2 4.32Å; E146-L148 PolarHBondContact O-N 3.35Å
149T52.3Low73.6Confident106 Ų10694.6 Ų94.665%0.6547%0.472SS*.  trans-97.3-17.9-160.950.50000118
150D59.2Low74.5Confident147 Ų14793.6 Ų93.679%0.78646%0.464SS*.SBendtrans-107-7.2-157.4-77.518.1000117.3
151S63.9Low75.4Confident75 Ų7585.3 Ų85.352%0.52443%0.433SS..  trans-158.1100.7171.2-1360000114.5H81H81-S151 PolarHBondContact CE1-OG 3.06Å
152V77.5Confident76.1Confident48 Ų4879.3 Ų79.329%0.29140%0.401SS..  trans-124.8116.2179-178.80000108.7R132 T154R132-V152 HydrophobicContact CG-CG1 3.86Å; V152-T154 PolarHBondContact O-N 3.26Å; V152-T154 VanDerWaalsContact O-N 3.15Å
153L88.1Confident76.7Confident13 Ų1375.6 Ų75.67%0.06838%0.378CS..  trans-56.7118.2175.6-69.7-179.7000110.3A48 C77 H81 E84 F128 R132 K155 P157A48-L153 HydrophobicContact CB-CD2 4.03Å; C77-L153 HydrophobicContact CB-CD1 4.16Å; H81-L153 HydrophobicContact CB-CD1 4Å; H81-L153 HydrophobicContact CB-CG 4.07Å; H81-L153 WeakPolarHBondContact CD2-CD2 3.08Å; E84-L153 HydrophobicContact CB-CD1 4.31Å; F128-L153 HydrophobicContact CE1-CB 4.19Å; R132-L153 WeakPolarHBondContact CD-O 3.16Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 WeakPolarHBondContact CB-O 3.48Å; L153-K155 PolarHBondContact O-N 3.32Å; L153-P157 HydrophobicContact CD1-CB 3.69Å; L153-P157 HydrophobicContact CD1-CG 3.9Å
154T88.2Confident78Confident101 Ų10170.3 Ų70.362%0.6235%0.354SS*.SBendtrans-78.5-12.6175.856.40000113.1V152V152-T154 PolarHBondContact O-N 3.26Å; V152-T154 VanDerWaalsContact O-N 3.15Å
155K93.8Very high79.6Confident113 Ų11361.6 Ų61.649%0.49132%0.317SS..SBendtrans-131155.1177.2-66.7174.2-177.71700109.7I47 A48 F128 L153I47-K155 HydrophobicContact CD1-CB 4.44Å; I47-K155 WeakPolarHBondContact O-CD 3.42Å; A48-K155 HydrophobicContact CB-CB 4Å; A48-K155 WeakPolarHBondContact CB-O 3.28Å; F128-K155 WeakPolarHBondContact CE1-O 3.42Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 WeakPolarHBondContact CB-O 3.48Å; L153-K155 PolarHBondContact O-N 3.32Å
156A96.4Very high81.1Confident0 Ų064.9 Ų64.90%032%0.323CS..  trans-59.9138.2177.700000110.5I47 L124 F128 L158I47-A156 HydrophobicContact CD1-CB 4.37Å; I47-A156 WeakPolarHBondContact CD1-O 3.36Å; I47-A156 WeakPolarHBondContact CG1-O 3.43Å; L124-A156 HydrophobicContact CG-CB 4.32Å; F128-A156 HydrophobicContact CB-CB 3.68Å; F128-A156 VanDerWaalsContact CD1-CA 3.42Å; F128-A156 HydrophobicContact CD1-CB 4.04Å; F128-A156 HydrophobicContact CD2-CB 3.89Å; F128-A156 HydrophobicContact CG-CB 3.59Å; A156-L158 HydrophobicContact CB-CB 4.49Å; A156-L158 HydrophobicContact CB-CD1 3.68Å; A156-L158 HydrophobicContact CB-CG 3.86Å; A156-L158 PolarHBondContact O-N 3.39Å
157P97Very high82.2Confident0 Ų063.7 Ų63.70%032%0.315CS..  trans-7350.7177.429.7-34.1000112.1I73 C74 C77 A88 L153I73-P157 CarbonylContact C-O 3.57Å; I73-P157 VanDerWaalsContact CA-O 3.26Å; I73-P157 WeakPolarHBondContact CA-O 3.42Å; I73-P157 HydrophobicContact CG2-CB 4.24Å; I73-P157 HydrophobicContact CG2-CG 4.18Å; C74-P157 PolarHBondContact N-O 3.23Å; C77-P157 HydrophobicContact CB-CB 3.39Å; A88-P157 HydrophobicContact CB-CG 3.79Å; L153-P157 HydrophobicContact CD1-CB 3.69Å; L153-P157 HydrophobicContact CD1-CG 3.9Å
158L98Very high83.8Confident0 Ų054.3 Ų54.30%028%0.281CS..EExtended strand (participates in β ladder)trans-96.1140.5-176.2-72.6168.1000111.1C46 I47 F69 R72 I73 L92 A121 L124 A125 A156C46-L158 WeakPolarHBondContact CA-O 3.44Å; I47-L158 HydrophobicContact CD1-CB 4.34Å; I47-L158 HydrophobicContact CG1-CB 4.27Å; I47-L158 PolarHBondContact N-O 3.44Å; F69-L158 HydrophobicContact CD1-CB 4.12Å; F69-L158 HydrophobicContact CD1-CD1 4.39Å; F69-L158 HydrophobicContact CE1-CB 4.11Å; F69-L158 HydrophobicContact CE1-CD1 4.26Å; R72-L158 WeakPolarHBondContact O-CA 3.34Å; I73-L158 HydrophobicContact CD1-CD2 3.97Å; L92-L158 HydrophobicContact CD2-CD2 4.01Å; A121-L158 HydrophobicContact CB-CD1 4.05Å; A121-L158 HydrophobicContact CB-CD2 3.81Å; A121-L158 WeakPolarHBondContact O-CD1 3.3Å; L124-L158 HydrophobicContact CB-CD1 4.23Å; L124-L158 HydrophobicContact CD2-CD1 4.26Å; L124-L158 HydrophobicContact CD2-CD2 4.28Å; L124-L158 HydrophobicContact CD2-CG 4.45Å; L124-L158 HydrophobicContact CG-CD1 4.27Å; A125-L158 HydrophobicContact CB-CD1 3.91Å; A156-L158 HydrophobicContact CB-CB 4.49Å; A156-L158 HydrophobicContact CB-CD1 3.68Å; A156-L158 HydrophobicContact CB-CG 3.86Å; A156-L158 PolarHBondContact O-N 3.39Å
159L97.4Very high85Confident0 Ų059.1 Ų59.10%029%0.293CS..EExtended strand (participates in β ladder)trans-85.8144.1170.5-63.4175.8000110.8E44 C46 V53 T70 R72 C74E44-L159 HydrophobicContact CB-CB 4.12Å; E44-L159 HydrophobicContact CB-CD1 4.42Å; E44-L159 HydrophobicContact CB-CD2 4.37Å; E44-L159 WeakPolarHBondContact OE2-CB 3.44Å; E44-L159 WeakPolarHBondContact OE2-CD1 3.48Å; C46-L159 HydrophobicContact CB-CD2 4.08Å; V53-L159 HydrophobicContact CG2-CD1 4.27Å; V53-L159 HydrophobicContact CG2-CD2 3.98Å; T70-L159 PolarHBondContact N-O 3.11Å; T70-L159 VanDerWaalsContact N-O 3.14Å; T70-L159 WeakPolarHBondContact OG1-CB 3.28Å; T70-L159 PolarHBondContact OG1-O 3.23Å; R72-L159 HydrophobicContact CB-CB 4.38Å; R72-L159 HydrophobicContact CB-CD1 4.01Å; R72-L159 PolarHBondContact O-N 2.9Å; C74-L159 HydrophobicContact CB-CD2 3.86Å; C74-L159 HydrophobicContact CB-CG 4.27Å
160R95.9Very high86.2Confident46 Ų4654.8 Ų54.817%0.17427%0.266CS..EExtended strand (participates in β ladder)trans-129.1152.4169.564.3175.7-172.4-60.16.7109.7E44 Q45 C46 I47 H68 F69E44-R160 CarbonylContact C-O 3.49Å; E44-R160 WeakPolarHBondContact CA-O 3.39Å; Q45-R160 PolarHBondContact N-O 3.29Å; Q45-R160 WeakPolarHBondContact O-CG 3.29Å; Q45-R160 PolarHBondContact O-N 3.36Å; Q45-R160 PolarHBondContact O-NH1 2.93Å; C46-R160 PolarHBondContact O-NH1 3.18Å; I47-R160 HydrophobicContact CG2-CB 4.49Å; I47-R160 HydrophobicContact CG2-CG 4.02Å; H68-R160 HydrophobicContact CB-CB 3.98Å; H68-R160 CarbonylContact O-C 3.57Å; H68-R160 WeakPolarHBondContact O-CA 3.35Å; H68-R160 WeakPolarHBondContact O-CB 3.3Å; F69-R160 HydrophobicContact CD1-CB 4.39Å
161D95.6Very high86.9Confident2 Ų249.7 Ų49.71%0.01124%0.24CC..EExtended strand (participates in β ladder)trans-65.7166.6165.474.579.7000110.5V59 A60 T63 H68 V163V59-D161 HydrophobicContact CG2-CB 3.98Å; A60-D161 HydrophobicContact CB-CB 4.04Å; T63-D161 VanDerWaalsContact CB-OD2 3.28Å; T63-D161 WeakPolarHBondContact CB-OD2 2.94Å; T63-D161 HydrophobicContact CG2-CB 4.44Å; T63-D161 WeakPolarHBondContact CG2-OD2 3.23Å; H68-D161 WeakPolarHBondContact CA-OD2 3.35Å; H68-D161 WeakPolarHBondContact CB-OD2 3.27Å; H68-D161 IonicContact CE1-OD1 3.2Å; H68-D161 IonicContact CG-OD1 3.8Å; H68-D161 IonicContact CG-OD2 3Å; H68-D161 IonicContact ND1-OD1 3.84Å; H68-D161 PolarHBondContact ND1-OD1 2.8Å; H68-D161 IonicContact ND1-OD2 3.81Å; H68-D161 PolarHBondContact ND1-OD2 2.84Å; H68-D161 PolarHBondContact O-N 3.27Å; H68-D161 VanDerWaalsContact O-OD2 3.06Å; D161-V163 WeakPolarHBondContact OD1-CB 3.45Å; D161-V163 PolarHBondContact OD1-N 3.33Å
162V94.2Very high86.9Confident2 Ų250.5 Ų50.51%0.01224%0.236CC..  trans-113.210.5179.1-54.80000112.1I43 Q45 L175 I178 Y179I43-V162 HydrophobicContact CB-CG2 3.83Å; I43-V162 HydrophobicContact CG2-CG1 4.13Å; I43-V162 HydrophobicContact CG2-CG2 4.07Å; Q45-V162 HydrophobicContact CB-CG1 3.94Å; V162-L175 HydrophobicContact CG1-CD2 4.06Å; V162-I178 HydrophobicContact CB-CG2 4Å; V162-I178 HydrophobicContact CG1-CD1 3.65Å; V162-I178 HydrophobicContact CG1-CG2 4.12Å; V162-I178 HydrophobicContact CG2-CG2 3.88Å; V162-Y179 WeakPolarHBondContact O-CE1 3.21Å; V162-Y179 VanDerWaalsContact O-CZ 3.28Å; V162-Y179 PolarHBondContact O-OH 3.1Å
163V93.5Very high85.9Confident12 Ų1254.1 Ų54.17%0.07325%0.251CS..  trans-73133.3-175.9175.30000109.7V20 H38 L41 A60 H68 D161V20-V163 HydrophobicContact CG1-CG1 4.45Å; H38-V163 CarbonylContact O-C 3.48Å; H38-V163 VanDerWaalsContact O-CA 3.32Å; H38-V163 WeakPolarHBondContact O-CA 3.36Å; L41-V163 HydrophobicContact CD2-CG2 3.99Å; A60-V163 HydrophobicContact CB-CB 4.26Å; A60-V163 HydrophobicContact CB-CG2 3.59Å; H68-V163 PolarHBondContact CE1-O 3.08Å; H68-V163 PolarHBondContact ND1-O 3.03Å; D161-V163 WeakPolarHBondContact OD1-CB 3.45Å; D161-V163 PolarHBondContact OD1-N 3.33Å
164V90Very high84.6Confident13 Ų1354.6 Ų54.68%0.07926%0.26CS..  trans-92.6105.5171.5-1750000107.7H38 E168 Q170 Y179H38-V164 PolarHBondContact O-N 3.3Å; V164-E168 HydrophobicContact CG1-CB 4Å; V164-E168 HydrophobicContact CG1-CG 4.37Å; V164-Q170 HydrophobicContact CG1-CG 4.5Å; V164-Q170 HydrophobicContact CG2-CG 4.2Å; V164-Y179 HydrophobicContact CG2-CE1 3.79Å
165H86.8Confident83.7Confident46 Ų4650.1 Ų50.121%0.21323%0.231CC..  trans-69.8164.5-178.7-71.5-86.7000112.1T63 S64 R65 H68 F167 E168T63-H165 PolarHBondContact O-CE1 3.43Å; T63-H165 VanDerWaalsContact O-CE1 3.26Å; T63-H165 PolarHBondContact OG1-CE1 3.07Å; T63-H165 PolarHBondContact OG1-NE2 3.18Å; S64-H165 VanDerWaalsContact C-CD2 3.47Å; R65-H165 HydrophobicContact CB-CB 4.42Å; H68-H165 AromaticContact CE1-CD2 3.52Å; H165-F167 PolarHBondContact O-N 3.39Å; H165-E168 HydrophobicContact CB-CB 4.22Å; H165-E168 WeakPolarHBondContact CB-OE2 3.21Å; H165-E168 IonicContact CD2-OE2 3.73Å; H165-E168 PolarHBondContact CD2-OE2 2.76Å; H165-E168 IonicContact CG-OE2 3.78Å; H165-E168 PolarHBondContact N-OE2 3.17Å; H165-E168 VanDerWaalsContact N-OE2 3.1Å; H165-E168 WeakPolarHBondContact O-CA 3.44Å; H165-E168 WeakPolarHBondContact O-CB 3.31Å; H165-E168 PolarHBondContact O-N 3.23Å
166F80.5Confident82.5Confident140 Ų14045.4 Ų45.461%0.61421%0.212SC*.THydrogen-bonded Turntrans-59.4136.3176.7-158.6-107.3000111E168 V276F166-E168 PolarHBondContact O-N 3.44Å; F166-E168 VanDerWaalsContact O-N 3.14Å; F166-V276 HydrophobicContact CE2-CG2 3.97Å
167F76.7Confident81.7Confident163 Ų16350.1 Ų50.172%0.71523%0.234SC*.THydrogen-bonded Turntrans61.25.7-169.5-53.6-68.5000116H165H165-F167 PolarHBondContact O-N 3.39Å
168E81.6Confident81.3Confident32 Ų3250.5 Ų50.515%0.1524%0.236CC..PPolyproline II helixtrans-79.3146.6168.6-165.2142.9-128.200110.1R65 S66 H68 V164 H165 F166R65-E168 WeakPolarHBondContact CA-OE1 3.25Å; R65-E168 HydrophobicContact CG-CB 4.13Å; R65-E168 HydrophobicContact CG-CG 4.21Å; R65-E168 WeakPolarHBondContact CG-OE1 3.49Å; S66-E168 PolarHBondContact N-OE1 2.79Å; H68-E168 IonicContact CE1-OE1 2.95Å; H68-E168 IonicContact CE1-OE2 2.84Å; H68-E168 PolarHBondContact CE1-OE2 3.26Å; H68-E168 VanDerWaalsContact NE2-CD 3.3Å; H68-E168 IonicContact NE2-OE1 3.21Å; H68-E168 PolarHBondContact NE2-OE1 3.08Å; H68-E168 IonicContact NE2-OE2 2.91Å; H68-E168 PolarHBondContact NE2-OE2 3.1Å; H68-E168 VanDerWaalsContact NE2-OE2 3.15Å; V164-E168 HydrophobicContact CG1-CB 4Å; V164-E168 HydrophobicContact CG1-CG 4.37Å; H165-E168 HydrophobicContact CB-CB 4.22Å; H165-E168 WeakPolarHBondContact CB-OE2 3.21Å; H165-E168 IonicContact CD2-OE2 3.73Å; H165-E168 PolarHBondContact CD2-OE2 2.76Å; H165-E168 IonicContact CG-OE2 3.78Å; H165-E168 PolarHBondContact N-OE2 3.17Å; H165-E168 VanDerWaalsContact N-OE2 3.1Å; H165-E168 WeakPolarHBondContact O-CA 3.44Å; H165-E168 WeakPolarHBondContact O-CB 3.31Å; H165-E168 PolarHBondContact O-N 3.23Å; F166-E168 PolarHBondContact O-N 3.44Å; F166-E168 VanDerWaalsContact O-N 3.14Å
169R77.8Confident81Confident182 Ų18250.7 Ų50.769%0.68724%0.237SC*.PPolyproline II helixtrans-89.8144.5173.8-66.7-171.7-73.2-150.7-0.8108.2
170Q77.5Confident80.7Confident15 Ų1552.5 Ų52.57%0.0724%0.244CC..PPolyproline II helixtrans-56.8137.9168.7-82.2-174.8-32.800110.2L37 V164 I181 Y280L37-Q170 PolarHBondContact O-NE2 3.5Å; V164-Q170 HydrophobicContact CG1-CG 4.5Å; V164-Q170 HydrophobicContact CG2-CG 4.2Å; Q170-I181 VanDerWaalsContact CD-CD1 3.46Å; Q170-I181 VanDerWaalsContact OE1-CD1 3.26Å; Q170-Y280 HydrophobicContact CG-CE1 4.38Å
171P73.6Confident80.4Confident40 Ų4050.3 Ų50.326%0.2624%0.236SC..PPolyproline II helixtrans-76.3151-178.429.9-31.9000111.5L175 Y179P171-L175 HydrophobicContact CB-CD1 3.73Å; P171-L175 HydrophobicContact CG-CB 4.03Å; P171-L175 HydrophobicContact CG-CD1 3.19Å; P171-L175 HydrophobicContact CG-CG 4.23Å; P171-Y179 HydrophobicContact CG-CE2 3.53Å
172E65Low80.1Confident92 Ų9251.8 Ų51.843%0.4324%0.241SC..SBendtrans-91.3-26.4-158.2-63.9175.3-173.200115.2R231 M232 A235E172-R231 VanDerWaalsContact CD-CD 3.42Å; E172-R231 WeakPolarHBondContact OE1-CD 3.43Å; E172-R231 IonicContact OE1-CZ 2.84Å; E172-R231 IonicContact OE1-NE 2.77Å; E172-R231 IonicContact OE1-NH1 3.9Å; E172-R231 PolarHBondContact OE1-NH1 2.82Å; E172-M232 VanDerWaalsContact CA-SD 3.57Å; E172-M232 HydrophobicContact CB-SD 3.98Å; E172-M232 HydrophobicContact CG-SD 4.02Å; E172-M232 WeakPolarHBondContact O-CE 3.07Å; E172-A235 WeakPolarHBondContact O-CB 3.37Å
173M55.8Low80Confident125 Ų12552.5 Ų52.562%0.61625%0.246SC*.SBendtrans-145.2154.4-179.8-60.1-162.9-32.900112.7L175 A235M173-L175 PolarHBondContact O-N 3.47Å; M173-L175 VanDerWaalsContact O-N 3.1Å; M173-A235 HydrophobicContact CG-CB 3.86Å; M173-A235 HydrophobicContact SD-CB 4.45Å
174G61.1Low80Confident23 Ų2351.9 Ų51.924%0.23724%0.243CC..SBendtrans75-1217500000115.5Q45 E50Q45-G174 PolarHBondContact NE2-O 3.27Å; E50-G174 WeakPolarHBondContact OE1-CA 3.47Å
175L68.6Low80.1Confident6 Ų651.3 Ų51.33%0.03124%0.239CC..  trans-111.8-5.4178.6-74.7170.8000113.7Q45 V162 P171 M173 E177 I178 Y179Q45-L175 HydrophobicContact CB-CD2 4.21Å; Q45-L175 VanDerWaalsContact CD-CD2 3.44Å; Q45-L175 HydrophobicContact CG-CD2 4.4Å; V162-L175 HydrophobicContact CG1-CD2 4.06Å; P171-L175 HydrophobicContact CB-CD1 3.73Å; P171-L175 HydrophobicContact CG-CB 4.03Å; P171-L175 HydrophobicContact CG-CD1 3.19Å; P171-L175 HydrophobicContact CG-CG 4.23Å; M173-L175 PolarHBondContact O-N 3.47Å; M173-L175 VanDerWaalsContact O-N 3.1Å; L175-E177 PolarHBondContact O-N 2.89Å; L175-I178 HydrophobicContact CD2-CB 4.37Å; L175-I178 HydrophobicContact CD2-CD1 3.63Å; L175-I178 HydrophobicContact CD2-CG1 4.14Å; L175-I178 WeakPolarHBondContact O-CB 3.15Å; L175-I178 PolarHBondContact O-N 2.99Å; L175-Y179 HydrophobicContact CB-CD2 4Å; L175-Y179 HydrophobicContact CB-CE2 3.53Å; L175-Y179 HydrophobicContact CD1-CE2 4.19Å; L175-Y179 HydrophobicContact CG-CE2 4.34Å; L175-Y179 WeakPolarHBondContact O-CD2 3.11Å; L175-Y179 PolarHBondContact O-N 2.67Å
176T69.7Low80.3Confident14 Ų1450.1 Ų50.19%0.08623%0.233CC..Hα-helixtrans-54.6-38-179.1-50.40000111.4I178 Y179 R180T176-I178 VanDerWaalsContact C-N 3.32Å; T176-I178 PolarHBondContact O-N 3.24Å; T176-Y179 PolarHBondContact O-N 2.67Å; T176-R180 VanDerWaalsContact O-CA 3.23Å; T176-R180 WeakPolarHBondContact O-CA 3.38Å; T176-R180 PolarHBondContact O-N 3.22Å
177E80.4Confident80.9Confident99 Ų9943.8 Ų43.846%0.46321%0.207SC..Hα-helixtrans-72.6-21.6178.1-174.548.8-141.300113.6L175 R180L175-E177 PolarHBondContact O-N 2.89Å; E177-R180 WeakPolarHBondContact O-CG 3.39Å; E177-R180 IonicContact OE1-CZ 3.8Å; E177-R180 IonicContact OE1-NH1 3.01Å; E177-R180 PolarHBondContact OE1-NH1 3.09Å; E177-R180 IonicContact OE2-NH1 3.74Å
178I87.2Confident81.6Confident8 Ų836.7 Ų36.74%0.04118%0.177CC..Hα-helixtrans-74.3-49.4173.4-62.8-161000110.3I43 Q45 A52 V162 L175 T176 R180I43-I178 HydrophobicContact CG2-CD1 4.28Å; I43-I178 HydrophobicContact CG2-CG2 4.48Å; Q45-I178 HydrophobicContact CB-CD1 3.7Å; Q45-I178 HydrophobicContact CG-CD1 3.7Å; A52-I178 HydrophobicContact CB-CD1 4.15Å; V162-I178 HydrophobicContact CB-CG2 4Å; V162-I178 HydrophobicContact CG1-CD1 3.65Å; V162-I178 HydrophobicContact CG1-CG2 4.12Å; V162-I178 HydrophobicContact CG2-CG2 3.88Å; L175-I178 HydrophobicContact CD2-CB 4.37Å; L175-I178 HydrophobicContact CD2-CD1 3.63Å; L175-I178 HydrophobicContact CD2-CG1 4.14Å; L175-I178 WeakPolarHBondContact O-CB 3.15Å; L175-I178 PolarHBondContact O-N 2.99Å; T176-I178 VanDerWaalsContact C-N 3.32Å; T176-I178 PolarHBondContact O-N 3.24Å; I178-R180 VanDerWaalsContact C-N 3.33Å
179Y91.4Very high82.1Confident4 Ų435.2 Ų35.22%0.01617%0.17CC..Hα-helixtrans-80.3-17-179.1-54.8-62.8000113.3S35 E36 V162 V164 P171 L175 T176 I181S35-Y179 WeakPolarHBondContact CA-O 3.43Å; S35-Y179 WeakPolarHBondContact CB-O 3.34Å; E36-Y179 PolarHBondContact N-O 2.9Å; E36-Y179 VanDerWaalsContact O-CD1 3.28Å; E36-Y179 WeakPolarHBondContact O-CD1 3.37Å; V162-Y179 WeakPolarHBondContact O-CE1 3.21Å; V162-Y179 VanDerWaalsContact O-CZ 3.28Å; V162-Y179 PolarHBondContact O-OH 3.1Å; V164-Y179 HydrophobicContact CG2-CE1 3.79Å; P171-Y179 HydrophobicContact CG-CE2 3.53Å; L175-Y179 HydrophobicContact CB-CD2 4Å; L175-Y179 HydrophobicContact CB-CE2 3.53Å; L175-Y179 HydrophobicContact CD1-CE2 4.19Å; L175-Y179 HydrophobicContact CG-CE2 4.34Å; L175-Y179 WeakPolarHBondContact O-CD2 3.11Å; L175-Y179 PolarHBondContact O-N 2.67Å; T176-Y179 PolarHBondContact O-N 2.67Å; Y179-I181 VanDerWaalsContact C-N 3.27Å; Y179-I181 HydrophobicContact CD2-CD1 4.29Å; Y179-I181 HydrophobicContact CG-CD1 4.34Å; Y179-I181 PolarHBondContact O-N 2.79Å
180R91.4Very high82.7Confident38 Ų3826.5 Ų26.514%0.14314%0.137CC..THydrogen-bonded Turntrans49.244.3-176.6-61.2-175.75780.6-0.1113R31 E32 L34 S35 T176 E177 I178 R182 S183 A184R31-R180 WeakPolarHBondContact O-CD 3.26Å; R31-R180 PolarHBondContact O-NE 3.35Å; E32-R180 PolarHBondContact O-NH2 3.05Å; L34-R180 WeakPolarHBondContact O-CB 3.35Å; L34-R180 WeakPolarHBondContact O-CD 3.07Å; S35-R180 WeakPolarHBondContact CB-O 3.48Å; S35-R180 PolarHBondContact OG-O 3.49Å; T176-R180 VanDerWaalsContact O-CA 3.23Å; T176-R180 WeakPolarHBondContact O-CA 3.38Å; T176-R180 PolarHBondContact O-N 3.22Å; E177-R180 WeakPolarHBondContact O-CG 3.39Å; E177-R180 IonicContact OE1-CZ 3.8Å; E177-R180 IonicContact OE1-NH1 3.01Å; E177-R180 PolarHBondContact OE1-NH1 3.09Å; E177-R180 IonicContact OE2-NH1 3.74Å; I178-R180 VanDerWaalsContact C-N 3.33Å; R180-R182 VanDerWaalsContact C-N 3.31Å; R180-R182 PolarHBondContact O-N 2.83Å; R180-S183 PolarHBondContact NH2-OG 3.35Å; R180-S183 WeakPolarHBondContact O-CB 3.44Å; R180-S183 PolarHBondContact O-N 3.25Å; R180-A184 PolarHBondContact O-N 3Å; R180-A184 VanDerWaalsContact O-N 3.11Å
181I89.9Confident83.3Confident1 Ų130.8 Ų30.81%0.00515%0.153CC..Hα-helixtrans-68.4-35.2-173.6-58.8161.3000111.1L37 Q170 Y179 S183 A184 I185 W228 F282L37-I181 HydrophobicContact CD2-CG1 4.42Å; Q170-I181 VanDerWaalsContact CD-CD1 3.46Å; Q170-I181 VanDerWaalsContact OE1-CD1 3.26Å; Y179-I181 VanDerWaalsContact C-N 3.27Å; Y179-I181 HydrophobicContact CD2-CD1 4.29Å; Y179-I181 HydrophobicContact CG-CD1 4.34Å; Y179-I181 PolarHBondContact O-N 2.79Å; I181-S183 VanDerWaalsContact C-N 3.34Å; I181-S183 PolarHBondContact O-N 3.24Å; I181-A184 WeakPolarHBondContact O-CB 3.49Å; I181-A184 PolarHBondContact O-N 2.84Å; I181-I185 HydrophobicContact CG2-CD1 4.08Å; I181-I185 HydrophobicContact CG2-CG1 4.48Å; I181-I185 WeakPolarHBondContact O-CG1 3.39Å; I181-I185 PolarHBondContact O-N 3.07Å; I181-W228 HydrophobicContact CB-CH2 4.1Å; I181-W228 HydrophobicContact CB-CZ2 4.27Å; I181-W228 HydrophobicContact CD1-CH2 4.34Å; I181-W228 HydrophobicContact CD1-CZ2 3.69Å; I181-W228 HydrophobicContact CG1-CZ2 4.49Å; I181-W228 HydrophobicContact CG2-CH2 3.27Å; I181-W228 HydrophobicContact CG2-CZ2 3.57Å; I181-W228 HydrophobicContact CG2-CZ3 4.04Å; I181-F282 HydrophobicContact CG2-CE2 3.45Å; I181-F282 VanDerWaalsContact CG2-CE2 3.45Å; I181-F282 HydrophobicContact CG2-CZ 3.76Å
182R89.5Confident83.9Confident32 Ų3234.9 Ų34.912%0.12117%0.167CC..Hα-helixtrans-54.9-51.4171.8-176.9-175.7-179.3132.22.6110.9R180 A184 I185 E186 L194 E239 C240R180-R182 VanDerWaalsContact C-N 3.31Å; R180-R182 PolarHBondContact O-N 2.83Å; R182-A184 VanDerWaalsContact C-N 3.3Å; R182-A184 PolarHBondContact O-N 3.38Å; R182-I185 WeakPolarHBondContact O-CB 3.35Å; R182-I185 PolarHBondContact O-N 2.85Å; R182-E186 HydrophobicContact CG-CG 4.46Å; R182-E186 IonicContact CZ-OE1 2.69Å; R182-E186 IonicContact NE-OE1 2.97Å; R182-E186 PolarHBondContact NE-OE1 3.1Å; R182-E186 IonicContact NH2-OE1 3.35Å; R182-E186 WeakPolarHBondContact O-CG 3.19Å; R182-E186 PolarHBondContact O-N 2.79Å; R182-L194 HydrophobicContact CG-CD2 3.81Å; R182-E239 IonicContact NH1-OE2 3.22Å; R182-C240 PolarHBondContact NH1-SG 3.38Å; R182-C240 PolarHBondContact NH2-SG 3.3Å
183S92.2Very high85Confident17 Ų1730.6 Ų30.612%0.11915%0.147CC..Hα-helixtrans-60.2-38.7178.6-47.80000112.2R180 I181 I185 E186 A187R180-S183 PolarHBondContact NH2-OG 3.35Å; R180-S183 WeakPolarHBondContact O-CB 3.44Å; R180-S183 PolarHBondContact O-N 3.25Å; I181-S183 VanDerWaalsContact C-N 3.34Å; I181-S183 PolarHBondContact O-N 3.24Å; S183-I185 VanDerWaalsContact C-N 3.34Å; S183-I185 PolarHBondContact O-N 2.67Å; S183-E186 PolarHBondContact O-N 3.2Å; S183-A187 VanDerWaalsContact O-CB 3.22Å; S183-A187 WeakPolarHBondContact O-CB 3.46Å; S183-A187 PolarHBondContact O-N 3.06Å
184A93Very high86.6Confident0 Ų024.8 Ų24.80%012%0.118CC..Hα-helixtrans-61.7-41.1172.900000112.4V16 S35 R180 I181 R182 A187 V188 L283V16-A184 HydrophobicContact CG2-CB 3.76Å; S35-A184 WeakPolarHBondContact OG-CB 3.35Å; S35-A184 PolarHBondContact OG-N 2.81Å; R180-A184 PolarHBondContact O-N 3Å; R180-A184 VanDerWaalsContact O-N 3.11Å; I181-A184 WeakPolarHBondContact O-CB 3.49Å; I181-A184 PolarHBondContact O-N 2.84Å; R182-A184 VanDerWaalsContact C-N 3.3Å; R182-A184 PolarHBondContact O-N 3.38Å; A184-A187 PolarHBondContact O-N 3.28Å; A184-V188 WeakPolarHBondContact O-CG2 3.29Å; A184-V188 PolarHBondContact O-N 3.01Å; A184-V188 VanDerWaalsContact O-N 3.12Å; A184-L283 HydrophobicContact CB-CD1 4.45Å; A184-L283 HydrophobicContact CB-CD2 3.66Å
185I91.5Very high87.9Confident0 Ų026.6 Ų26.60%012%0.12CC..Hα-helixtrans-68.5-43.7178.2-64.2164.5000110.8I181 R182 S183 A187 V188 H189 L194 L223 W228 F229 M236 F282 L283I181-I185 HydrophobicContact CG2-CD1 4.08Å; I181-I185 HydrophobicContact CG2-CG1 4.48Å; I181-I185 WeakPolarHBondContact O-CG1 3.39Å; I181-I185 PolarHBondContact O-N 3.07Å; R182-I185 WeakPolarHBondContact O-CB 3.35Å; R182-I185 PolarHBondContact O-N 2.85Å; S183-I185 VanDerWaalsContact C-N 3.34Å; S183-I185 PolarHBondContact O-N 2.67Å; I185-A187 VanDerWaalsContact C-N 3.3Å; I185-A187 PolarHBondContact O-N 3.47Å; I185-V188 PolarHBondContact O-N 2.84Å; I185-V188 VanDerWaalsContact O-N 3.16Å; I185-H189 PolarHBondContact O-N 3.04Å; I185-L194 HydrophobicContact CB-CD2 4.37Å; I185-L194 HydrophobicContact CG2-CB 4.33Å; I185-L194 HydrophobicContact CG2-CD1 3.83Å; I185-L194 HydrophobicContact CG2-CD2 4.18Å; I185-L194 HydrophobicContact CG2-CG 4.34Å; I185-L223 HydrophobicContact CG2-CD1 4.06Å; I185-L223 HydrophobicContact CG2-CD2 3.84Å; I185-W228 HydrophobicContact CD1-CH2 4.3Å; I185-W228 HydrophobicContact CD1-CZ3 3.78Å; I185-F229 HydrophobicContact CD1-CD2 4.43Å; I185-M236 HydrophobicContact CD1-CE 3.62Å; I185-F282 HydrophobicContact CD1-CD2 3.68Å; I185-F282 HydrophobicContact CD1-CE2 3.84Å; I185-F282 HydrophobicContact CG1-CD2 3.67Å; I185-F282 HydrophobicContact CG1-CE2 3.89Å; I185-L283 HydrophobicContact CG1-CD2 3.77Å
186E92.5Very high88.9Confident21 Ų2129.3 Ų29.310%0.09814%0.135CC..Hα-helixtrans-59.6-43.4174.7-67.3178.6179.800110.8R182 S183 V188 G190 R191 L194 L260R182-E186 HydrophobicContact CG-CG 4.46Å; R182-E186 IonicContact CZ-OE1 2.69Å; R182-E186 IonicContact NE-OE1 2.97Å; R182-E186 PolarHBondContact NE-OE1 3.1Å; R182-E186 IonicContact NH2-OE1 3.35Å; R182-E186 WeakPolarHBondContact O-CG 3.19Å; R182-E186 PolarHBondContact O-N 2.79Å; S183-E186 PolarHBondContact O-N 3.2Å; E186-V188 PolarHBondContact O-N 3.49Å; E186-G190 WeakPolarHBondContact O-CA 3.41Å; E186-G190 PolarHBondContact O-N 3.04Å; E186-R191 HydrophobicContact CG-CB 4.48Å; E186-L194 HydrophobicContact CG-CD2 3.43Å; E186-L194 VanDerWaalsContact CG-CD2 3.43Å; E186-L260 HydrophobicContact CB-CD2 4.3Å
187A93.1Very high89.8Confident8 Ų828.6 Ų28.67%0.06613%0.131CC..Hα-helixtrans-67.5-19.7177.600000114.3R13 H14 S183 A184 I185R13-A187 VanDerWaalsContact CZ-O 3.24Å; R13-A187 PolarHBondContact NE-O 2.89Å; R13-A187 VanDerWaalsContact NE-O 3.08Å; R13-A187 PolarHBondContact NH2-O 2.9Å; H14-A187 HydrophobicContact CB-CB 3.32Å; H14-A187 VanDerWaalsContact CG-CB 3.48Å; S183-A187 VanDerWaalsContact O-CB 3.22Å; S183-A187 WeakPolarHBondContact O-CB 3.46Å; S183-A187 PolarHBondContact O-N 3.06Å; A184-A187 PolarHBondContact O-N 3.28Å; I185-A187 VanDerWaalsContact C-N 3.3Å; I185-A187 PolarHBondContact O-N 3.47Å
188V92Very high90.1Very high13 Ų1324 Ų248%0.07911%0.109CC..Hα-helixtrans-97-50.9176.9171.70000111.5A184 I185 E186 A264 I267 L283 P285A184-V188 WeakPolarHBondContact O-CG2 3.29Å; A184-V188 PolarHBondContact O-N 3.01Å; A184-V188 VanDerWaalsContact O-N 3.12Å; I185-V188 PolarHBondContact O-N 2.84Å; I185-V188 VanDerWaalsContact O-N 3.16Å; E186-V188 PolarHBondContact O-N 3.49Å; V188-A264 PolarHBondContact O-N 2.85Å; V188-I267 HydrophobicContact CG1-CD1 4.33Å; V188-L283 WeakPolarHBondContact CG1-O 3.35Å; V188-P285 HydrophobicContact CG1-CG 3.86Å
189H90.6Very high90.1Very high1 Ų128.1 Ų28.11%0.00513%0.131CC..Hα-helixtrans-99.4-14.7-169.8-64.5-82.3000113.7I185 V193 P263 F282 W284I185-H189 PolarHBondContact O-N 3.04Å; H189-V193 HydrophobicContact CB-CB 4.27Å; H189-V193 HydrophobicContact CB-CG1 4.07Å; H189-V193 VanDerWaalsContact O-CB 3.32Å; H189-V193 WeakPolarHBondContact O-CB 3.39Å; H189-V193 WeakPolarHBondContact O-CG2 3.01Å; H189-P263 WeakPolarHBondContact O-CG 3.22Å; H189-F282 PolarHBondContact NE2-O 2.89Å; H189-W284 PolarHBondContact CE1-O 3.1Å; H189-W284 VanDerWaalsContact CE1-O 3.26Å
190G90.5Very high89.8Confident0 Ų028.3 Ų28.30%013%0.134CC..  trans86.4144.8-17000000112.1E186 K192 V193 L194 L260E186-G190 WeakPolarHBondContact O-CA 3.41Å; E186-G190 PolarHBondContact O-N 3.04Å; G190-K192 VanDerWaalsContact C-N 3.35Å; G190-K192 PolarHBondContact O-N 3.06Å; G190-V193 PolarHBondContact O-N 3.08Å; G190-L194 PolarHBondContact O-N 2.87Å; G190-L194 VanDerWaalsContact O-N 3.09Å; G190-L260 CarbonylContact C-O 3.59Å; G190-L260 WeakPolarHBondContact CA-O 3.41Å
191R90.3Very high88.8Confident104 Ų10430.2 Ų30.239%0.39215%0.15SC..Hα-helixtrans-59.7-42.1-177.8-175.5-174.8-68.3156.2-9112.2E186 L194 Q195 L260 D261E186-R191 HydrophobicContact CG-CB 4.48Å; R191-L194 PolarHBondContact O-N 3.39Å; R191-Q195 WeakPolarHBondContact O-CB 3.31Å; R191-Q195 PolarHBondContact O-N 2.89Å; R191-L260 WeakPolarHBondContact CB-O 3.42Å; R191-L260 PolarHBondContact N-O 2.83Å; R191-D261 IonicContact NH1-OD1 3.31Å; R191-D261 PolarHBondContact NH1-OD1 3.25Å
192K87Confident87.6Confident127 Ų12734.5 Ų34.555%0.55218%0.18SC*.Hα-helixtrans-62.5-45179-170.6179.3178.4176.90111.8G190 L194 Q195 D196G190-K192 VanDerWaalsContact C-N 3.35Å; G190-K192 PolarHBondContact O-N 3.06Å; K192-L194 VanDerWaalsContact C-N 3.32Å; K192-L194 PolarHBondContact O-N 2.63Å; K192-Q195 PolarHBondContact O-N 2.92Å; K192-D196 WeakPolarHBondContact O-CB 3.07Å; K192-D196 PolarHBondContact O-N 2.75Å
193V87.8Confident86.1Confident2 Ų239.7 Ų39.71%0.01221%0.21CC..Hα-helixtrans-61.5-43.4177.2176.80000110.7H189 G190 A197 H216 K220H189-V193 HydrophobicContact CB-CB 4.27Å; H189-V193 HydrophobicContact CB-CG1 4.07Å; H189-V193 VanDerWaalsContact O-CB 3.32Å; H189-V193 WeakPolarHBondContact O-CB 3.39Å; H189-V193 WeakPolarHBondContact O-CG2 3.01Å; G190-V193 PolarHBondContact O-N 3.08Å; V193-A197 VanDerWaalsContact O-CB 3.28Å; V193-A197 WeakPolarHBondContact O-CB 3.31Å; V193-A197 PolarHBondContact O-N 3.36Å; V193-H216 VanDerWaalsContact CG2-CD2 3.45Å; V193-H216 WeakPolarHBondContact CG2-CD2 3.37Å; V193-H216 WeakPolarHBondContact CG2-NE2 3.38Å; V193-K220 HydrophobicContact CG1-CB 4.41Å
194L89.5Confident84.7Confident2 Ų242.2 Ų42.21%0.0122%0.222CC..Hα-helixtrans-63.1-48.7176.1174.458.9000111.6R182 I185 E186 G190 R191 K192 D196 A197 V198 L223 F229 M236R182-L194 HydrophobicContact CG-CD2 3.81Å; I185-L194 HydrophobicContact CB-CD2 4.37Å; I185-L194 HydrophobicContact CG2-CB 4.33Å; I185-L194 HydrophobicContact CG2-CD1 3.83Å; I185-L194 HydrophobicContact CG2-CD2 4.18Å; I185-L194 HydrophobicContact CG2-CG 4.34Å; E186-L194 HydrophobicContact CG-CD2 3.43Å; E186-L194 VanDerWaalsContact CG-CD2 3.43Å; G190-L194 PolarHBondContact O-N 2.87Å; G190-L194 VanDerWaalsContact O-N 3.09Å; R191-L194 PolarHBondContact O-N 3.39Å; K192-L194 VanDerWaalsContact C-N 3.32Å; K192-L194 PolarHBondContact O-N 2.63Å; L194-D196 VanDerWaalsContact C-N 3.31Å; L194-D196 PolarHBondContact O-N 3.06Å; L194-A197 PolarHBondContact O-N 3.19Å; L194-A197 VanDerWaalsContact O-N 3.11Å; L194-V198 HydrophobicContact CD1-CG2 3.73Å; L194-V198 HydrophobicContact CG-CG2 4.22Å; L194-V198 WeakPolarHBondContact O-CG2 3.15Å; L194-V198 PolarHBondContact O-N 3.05Å; L194-L223 HydrophobicContact CD1-CD2 4Å; L194-F229 HydrophobicContact CD1-CE2 3.53Å; L194-F229 HydrophobicContact CD1-CZ 3.92Å; L194-M236 HydrophobicContact CD1-SD 4.37Å
195Q88.5Confident82.8Confident62 Ų6244.2 Ų44.229%0.2924%0.235SC..Hα-helixtrans-58.2-44.9-178.9-171.863.933.300111.3R191 K192 V198 N199R191-Q195 WeakPolarHBondContact O-CB 3.31Å; R191-Q195 PolarHBondContact O-N 2.89Å; K192-Q195 PolarHBondContact O-N 2.92Å; Q195-V198 PolarHBondContact O-N 3.27Å; Q195-N199 PolarHBondContact NE2-ND2 3.32Å; Q195-N199 WeakPolarHBondContact O-CB 3.44Å; Q195-N199 PolarHBondContact O-N 3.39Å
196D88.4Confident80.9Confident62 Ų6252.7 Ų52.733%0.33227%0.272SS..Hα-helixtrans-65.3-39176.4-72.9-3000111.7K192 L194 N199 A200 H216 K220K192-D196 WeakPolarHBondContact O-CB 3.07Å; K192-D196 PolarHBondContact O-N 2.75Å; L194-D196 VanDerWaalsContact C-N 3.31Å; L194-D196 PolarHBondContact O-N 3.06Å; D196-N199 PolarHBondContact O-N 3.48Å; D196-A200 WeakPolarHBondContact O-CB 3.43Å; D196-A200 PolarHBondContact O-N 3.12Å; D196-H216 IonicContact OD2-CE1 3.2Å; D196-H216 PolarHBondContact OD2-CE1 3.04Å; D196-H216 IonicContact OD2-ND1 3.68Å; D196-H216 IonicContact OD2-NE2 3.53Å; D196-K220 HydrophobicContact CB-CD 4.07Å
197A88.2Confident79Confident0 Ų058.1 Ų58.10%031%0.306CS..Hα-helixtrans-68.8-37.1176.800000113V193 L194 K220 L223 I224 F229V193-A197 VanDerWaalsContact O-CB 3.28Å; V193-A197 WeakPolarHBondContact O-CB 3.31Å; V193-A197 PolarHBondContact O-N 3.36Å; L194-A197 PolarHBondContact O-N 3.19Å; L194-A197 VanDerWaalsContact O-N 3.11Å; A197-K220 HydrophobicContact CB-CG 4.28Å; A197-L223 HydrophobicContact CB-CB 4.45Å; A197-L223 HydrophobicContact CB-CD2 3.77Å; A197-L223 HydrophobicContact CB-CG 4.33Å; A197-I224 HydrophobicContact CB-CD1 4.49Å; A197-I224 HydrophobicContact CB-CG1 3.98Å; A197-F229 HydrophobicContact CB-CE1 3.89Å; A197-F229 HydrophobicContact CB-CZ 3.77Å
198V87.2Confident76.9Confident1 Ų160.2 Ų60.21%0.00632%0.316CS..Hα-helixtrans-64.4-45.1173.41710000109.3L194 Q195 A200 F229 M236 K237L194-V198 HydrophobicContact CD1-CG2 3.73Å; L194-V198 HydrophobicContact CG-CG2 4.22Å; L194-V198 WeakPolarHBondContact O-CG2 3.15Å; L194-V198 PolarHBondContact O-N 3.05Å; Q195-V198 PolarHBondContact O-N 3.27Å; V198-A200 VanDerWaalsContact C-N 3.35Å; V198-A200 PolarHBondContact O-N 2.9Å; V198-F229 HydrophobicContact CG2-CE2 4.49Å; V198-F229 HydrophobicContact CG2-CZ 3.97Å; V198-M236 HydrophobicContact CG1-CB 4.42Å; V198-M236 HydrophobicContact CG2-CB 4.01Å; V198-M236 HydrophobicContact CG2-SD 4.31Å; V198-K237 HydrophobicContact CG1-CB 4.4Å; V198-K237 HydrophobicContact CG1-CG 3.58Å; V198-K237 WeakPolarHBondContact O-CE 3.15Å
199N87.7Confident74.4Confident96 Ų9666.7 Ų66.751%0.51335%0.35SS..Hα-helixtrans-77.4-14.5-177.7-73.5-16.8000114.8Q195 D196Q195-N199 PolarHBondContact NE2-ND2 3.32Å; Q195-N199 WeakPolarHBondContact O-CB 3.44Å; Q195-N199 PolarHBondContact O-N 3.39Å; D196-N199 PolarHBondContact O-N 3.48Å
200A84.1Confident71.9Confident8 Ų875.4 Ų75.47%0.06639%0.391CS..  trans-54.9147.5-179.200000113.8D196 V198 D204 I224 R233D196-A200 WeakPolarHBondContact O-CB 3.43Å; D196-A200 PolarHBondContact O-N 3.12Å; V198-A200 VanDerWaalsContact C-N 3.35Å; V198-A200 PolarHBondContact O-N 2.9Å; A200-D204 HydrophobicContact CB-CB 4.25Å; A200-I224 HydrophobicContact CB-CD1 3.41Å; A200-I224 VanDerWaalsContact CB-CD1 3.41Å; A200-I224 HydrophobicContact CB-CG1 4.2Å; A200-R233 PolarHBondContact O-NH1 3.31Å; A200-R233 VanDerWaalsContact O-NH1 3.08Å
201T71.3Confident69.3Low78 Ų7879 Ų7948%0.47943%0.428SS..  trans-84.5165.8179.868.90000111.5N203 D204T201-N203 PolarHBondContact O-N 3.18Å; T201-D204 PolarHBondContact N-OD2 2.93Å; T201-D204 PolarHBondContact O-N 3.23Å; T201-D204 PolarHBondContact OG1-OD2 3.1Å
202S64.4Low66.6Low91 Ų9179.3 Ų79.364%0.63645%0.445SS*.G310 helixtrans-63.9-23.1176.9-62.30000113.3D204 C205S202-D204 VanDerWaalsContact C-N 3.3Å; S202-D204 PolarHBondContact O-N 2.98Å; S202-C205 WeakPolarHBondContact O-CB 3.31Å; S202-C205 PolarHBondContact O-N 3.08Å
203N59.5Low64.2Low140 Ų14082 Ų8275%0.74946%0.457SS*.G310 helixtrans-74-20.8178.2-70.1-10.3000112.9T201 C205T201-N203 PolarHBondContact O-N 3.18Å; N203-C205 PolarHBondContact O-N 3.43Å
204D61.9Low62.3Low71 Ų7186.1 Ų86.138%0.3847%0.472SS..G310 helixtrans-76.7-7177.7-59.3-48.5000113A200 T201 S202 K206A200-D204 HydrophobicContact CB-CB 4.25Å; T201-D204 PolarHBondContact N-OD2 2.93Å; T201-D204 PolarHBondContact O-N 3.23Å; T201-D204 PolarHBondContact OG1-OD2 3.1Å; S202-D204 VanDerWaalsContact C-N 3.3Å; S202-D204 PolarHBondContact O-N 2.98Å; D204-K206 PolarHBondContact O-N 3.4Å
205C53Low60.7Low41 Ų4189 Ų8928%0.27749%0.492SS..G310 helixtrans-76.34.1-176.6-69.60000115S202 N203 V207 I224S202-C205 WeakPolarHBondContact O-CB 3.31Å; S202-C205 PolarHBondContact O-N 3.08Å; N203-C205 PolarHBondContact O-N 3.43Å; C205-V207 PolarHBondContact O-N 3.09Å; C205-I224 HydrophobicContact CB-CG2 4.47Å
206K51.4Low59.5Low179 Ų17989.6 Ų89.678%0.77850%0.495SS*.PPolyproline II helixtrans-62.7127.6177.5-70.5-171-179.5-178.70109.9D204D204-K206 PolarHBondContact O-N 3.4Å
207V51.9Low58.5Low134 Ų13491 Ų9181%0.81250%0.499SS*.PPolyproline II helixtrans-61.1140.5178179.40000109.2C205 D209C205-V207 PolarHBondContact O-N 3.09Å; V207-D209 PolarHBondContact O-N 3.28Å
208L48.8Very low57.8Low52 Ų5292.1 Ų92.127%0.27250%0.504SS..PPolyproline II helixtrans-53.1128.5178.1-69.3164.2000111.1K221 Y286L208-K221 HydrophobicContact CD2-CB 4.04Å; L208-K221 HydrophobicContact CD2-CD 3.46Å; L208-K221 VanDerWaalsContact CD2-CD 3.46Å; L208-K221 HydrophobicContact CD2-CG 4.39Å; L208-K221 HydrophobicContact CG-CB 4.3Å; L208-K221 HydrophobicContact CG-CD 4.42Å; L208-Y286 HydrophobicContact CD1-CD2 4.29Å; L208-Y286 HydrophobicContact CD1-CE2 3.63Å
209D40.4Very low57.2Low149 Ų14993.2 Ų93.280%0.79751%0.512SS*.PPolyproline II helixtrans-80.7146.1160.4-164.46.6000109V207 G211V207-D209 PolarHBondContact O-N 3.28Å; D209-G211 PolarHBondContact O-N 3.39Å
210H39.2Very low56.9Low185 Ų18590.3 Ų90.386%0.85650%0.495SS*.SBendtrans-69.1102.8-172.5-73.7-74.8000111.1
211G34.8Very low56.7Low76 Ų7693.8 Ų93.878%0.78451%0.508SS*.  trans131.987.9161.700000114.4D209D209-G211 PolarHBondContact O-N 3.39Å
212C32.9Very low57.2Low109 Ų10992.2 Ų92.274%0.73649%0.494SS*.  trans-152.9165.5153.3-152.40000110.1E218C212-E218 VanDerWaalsContact O-OE1 3.11Å
213K37.2Very low58Low185 Ų18587.9 Ų87.980%0.80446%0.464SS*.  trans-77.6146.4-176.9-64.5174.5177.7178.40110.3S215K213-S215 PolarHBondContact O-N 3.24Å
214R48.5Very low59.1Low88 Ų8881.4 Ų81.433%0.33243%0.429SS..  trans-52.6127.5-178-74.8-176.9-178.5-153.50.6111.5E218 N322R214-E218 WeakPolarHBondContact CA-OE2 3.4Å; R214-N322 WeakPolarHBondContact CD-OD1 3.4Å; R214-N322 PolarHBondContact NE-OD1 3.11Å; R214-N322 VanDerWaalsContact NH1-CA 3.28Å; R214-N322 PolarHBondContact NH1-OD1 2.99Å
215S55.6Low60Low62 Ų6279.8 Ų79.843%0.43443%0.429SS..  trans-149.3168.3168.168.90000109.8K213 E217 E218K213-S215 PolarHBondContact O-N 3.24Å; S215-E217 PolarHBondContact O-N 3.28Å; S215-E217 WeakPolarHBondContact OG-CB 3.43Å; S215-E217 PolarHBondContact OG-N 3.14Å; S215-E218 PolarHBondContact O-N 2.8Å
216H62.3Low61.4Low75 Ų7578 Ų7835%0.34742%0.417SS..Hα-helixtrans-40.5-28.2167.9-175.3-82.4000113.7V193 D196 K220V193-H216 VanDerWaalsContact CG2-CD2 3.45Å; V193-H216 WeakPolarHBondContact CG2-CD2 3.37Å; V193-H216 WeakPolarHBondContact CG2-NE2 3.38Å; D196-H216 IonicContact OD2-CE1 3.2Å; D196-H216 PolarHBondContact OD2-CE1 3.04Å; D196-H216 IonicContact OD2-ND1 3.68Å; D196-H216 IonicContact OD2-NE2 3.53Å; H216-K220 WeakPolarHBondContact O-CB 3.15Å; H216-K220 PolarHBondContact O-N 2.78Å
217E68.9Low62.9Low91 Ų9174.1 Ų74.143%0.42541%0.411SS..Hα-helixtrans-73-32.7-179.2-166.6131.1-122.800114.8S215 K220 K221S215-E217 PolarHBondContact O-N 3.28Å; S215-E217 WeakPolarHBondContact OG-CB 3.43Å; S215-E217 PolarHBondContact OG-N 3.14Å; E217-K220 IonicContact OE1-NZ 3.72Å; E217-K220 PolarHBondContact OE1-NZ 2.88Å; E217-K221 HydrophobicContact CG-CD 4.26Å; E217-K221 WeakPolarHBondContact O-CB 3.42Å; E217-K221 VanDerWaalsContact O-CG 3.27Å; E217-K221 WeakPolarHBondContact O-CG 3.16Å; E217-K221 PolarHBondContact O-N 3Å
218E73.6Confident64.3Low23 Ų2369.3 Ų69.311%0.10738%0.378CS..Hα-helixtrans-72.9-44.8-179.7-69.1-170153.800111.9C212 R214 S215 K220 K221 Y222C212-E218 VanDerWaalsContact O-OE1 3.11Å; R214-E218 WeakPolarHBondContact CA-OE2 3.4Å; S215-E218 PolarHBondContact O-N 2.8Å; E218-K220 VanDerWaalsContact C-N 3.31Å; E218-K220 PolarHBondContact O-N 2.89Å; E218-K221 PolarHBondContact O-N 3.48Å; E218-Y222 WeakPolarHBondContact O-CB 3.41Å; E218-Y222 PolarHBondContact O-N 3.05Å
219S74.4Confident66Low24 Ų2466.9 Ų66.917%0.16837%0.365CS..Hα-helixtrans-60.3-43.5175.3-60.80000111.1Y222 L223S219-Y222 PolarHBondContact O-N 3.44Å; S219-L223 WeakPolarHBondContact O-CB 3.4Å; S219-L223 PolarHBondContact O-N 2.61Å
220K80.6Confident68.1Low35 Ų3564.3 Ų64.315%0.15235%0.347CS..Hα-helixtrans-56.4-52.3172.7-178.9-172.667.6-179.30111.2V193 D196 A197 H216 E217 E218 Y222 L223 I224V193-K220 HydrophobicContact CG1-CB 4.41Å; D196-K220 HydrophobicContact CB-CD 4.07Å; A197-K220 HydrophobicContact CB-CG 4.28Å; H216-K220 WeakPolarHBondContact O-CB 3.15Å; H216-K220 PolarHBondContact O-N 2.78Å; E217-K220 IonicContact OE1-NZ 3.72Å; E217-K220 PolarHBondContact OE1-NZ 2.88Å; E218-K220 VanDerWaalsContact C-N 3.31Å; E218-K220 PolarHBondContact O-N 2.89Å; K220-Y222 PolarHBondContact O-N 2.98Å; K220-L223 PolarHBondContact O-N 3.43Å; K220-I224 HydrophobicContact CD-CD1 4.49Å; K220-I224 HydrophobicContact CG-CD1 3.78Å; K220-I224 WeakPolarHBondContact O-CB 3.23Å; K220-I224 WeakPolarHBondContact O-CD1 3.48Å; K220-I224 WeakPolarHBondContact O-CG1 3.48Å; K220-I224 PolarHBondContact O-N 2.78Å
221K80.7Confident70.1Confident81 Ų8160.5 Ų60.535%0.35233%0.325SS..Hα-helixtrans-62.7-39.1179.4-76.4174.5-178.2172.30112.6L208 E217 E218 G225L208-K221 HydrophobicContact CD2-CB 4.04Å; L208-K221 HydrophobicContact CD2-CD 3.46Å; L208-K221 VanDerWaalsContact CD2-CD 3.46Å; L208-K221 HydrophobicContact CD2-CG 4.39Å; L208-K221 HydrophobicContact CG-CB 4.3Å; L208-K221 HydrophobicContact CG-CD 4.42Å; E217-K221 HydrophobicContact CG-CD 4.26Å; E217-K221 WeakPolarHBondContact O-CB 3.42Å; E217-K221 VanDerWaalsContact O-CG 3.27Å; E217-K221 WeakPolarHBondContact O-CG 3.16Å; E217-K221 PolarHBondContact O-N 3Å; E218-K221 PolarHBondContact O-N 3.48Å; K221-G225 PolarHBondContact O-N 3.42Å
222Y80.6Confident72.4Confident46 Ų4657.1 Ų57.118%0.1829%0.288CS..Hα-helixtrans-64.6-46.2176.4177.9-98.4000111.7E218 S219 K220 G225 S226 S281 W284 Y286E218-Y222 WeakPolarHBondContact O-CB 3.41Å; E218-Y222 PolarHBondContact O-N 3.05Å; S219-Y222 PolarHBondContact O-N 3.44Å; K220-Y222 PolarHBondContact O-N 2.98Å; Y222-G225 WeakPolarHBondContact O-CA 3.32Å; Y222-G225 PolarHBondContact O-N 3.05Å; Y222-G225 VanDerWaalsContact O-N 3.11Å; Y222-S226 PolarHBondContact O-N 3.04Å; Y222-S226 VanDerWaalsContact O-N 3.1Å; Y222-S281 VanDerWaalsContact CE1-O 3.29Å; Y222-S281 WeakPolarHBondContact CE1-O 3.35Å; Y222-S281 PolarHBondContact OH-O 3.08Å; Y222-W284 WeakPolarHBondContact CE1-O 3.45Å; Y222-Y286 AromaticContact CD2-CD2 3.69Å; Y222-Y286 HydrophobicContact CD2-CD2 3.69Å; Y222-Y286 HydrophobicContact CD2-CE2 4.38Å; Y222-Y286 HydrophobicContact CE2-CD2 4.5Å; Y222-Y286 HydrophobicContact CG-CD2 4.04Å
223L82.1Confident74.8Confident0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-61.7-49.5177.2-170.363.7000110.6I185 L194 A197 S219 K220 G225 S226 F229 F282I185-L223 HydrophobicContact CG2-CD1 4.06Å; I185-L223 HydrophobicContact CG2-CD2 3.84Å; L194-L223 HydrophobicContact CD1-CD2 4Å; A197-L223 HydrophobicContact CB-CB 4.45Å; A197-L223 HydrophobicContact CB-CD2 3.77Å; A197-L223 HydrophobicContact CB-CG 4.33Å; S219-L223 WeakPolarHBondContact O-CB 3.4Å; S219-L223 PolarHBondContact O-N 2.61Å; K220-L223 PolarHBondContact O-N 3.43Å; L223-G225 PolarHBondContact O-N 3.3Å; L223-S226 WeakPolarHBondContact O-CB 3.48Å; L223-S226 PolarHBondContact O-N 3.03Å; L223-S226 VanDerWaalsContact O-N 3.08Å; L223-F229 HydrophobicContact CD1-CB 4.38Å; L223-F229 HydrophobicContact CD1-CD2 3.7Å; L223-F229 HydrophobicContact CD1-CE2 4.14Å; L223-F229 HydrophobicContact CD1-CG 4.03Å; L223-F229 HydrophobicContact CD2-CD2 4.13Å; L223-F229 HydrophobicContact CD2-CE1 4.49Å; L223-F229 HydrophobicContact CD2-CE2 3.71Å; L223-F229 HydrophobicContact CD2-CZ 3.91Å; L223-F229 HydrophobicContact CG-CD1 4.08Å; L223-F229 HydrophobicContact CG-CD2 3.64Å; L223-F229 HydrophobicContact CG-CE1 4.15Å; L223-F229 HydrophobicContact CG-CE2 3.72Å; L223-F229 HydrophobicContact CG-CG 3.82Å; L223-F229 HydrophobicContact CG-CZ 3.97Å; L223-F229 WeakPolarHBondContact O-CB 3.32Å; L223-F229 VanDerWaalsContact O-CD1 3.29Å; L223-F229 WeakPolarHBondContact O-CD1 3.18Å; L223-F229 WeakPolarHBondContact O-CG 3.35Å; L223-F282 HydrophobicContact CD1-CB 3.96Å
224I82Confident76.9Confident3 Ų348.5 Ų48.52%0.01525%0.245CC..Hα-helixtrans-57.3-35173.2-66.2165.4000111.4A197 A200 C205 K220 S226 K230A197-I224 HydrophobicContact CB-CD1 4.49Å; A197-I224 HydrophobicContact CB-CG1 3.98Å; A200-I224 HydrophobicContact CB-CD1 3.41Å; A200-I224 VanDerWaalsContact CB-CD1 3.41Å; A200-I224 HydrophobicContact CB-CG1 4.2Å; C205-I224 HydrophobicContact CB-CG2 4.47Å; K220-I224 HydrophobicContact CD-CD1 4.49Å; K220-I224 HydrophobicContact CG-CD1 3.78Å; K220-I224 WeakPolarHBondContact O-CB 3.23Å; K220-I224 WeakPolarHBondContact O-CD1 3.48Å; K220-I224 WeakPolarHBondContact O-CG1 3.48Å; K220-I224 PolarHBondContact O-N 2.78Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 2.83Å; I224-K230 WeakPolarHBondContact O-CE 3.06Å; I224-K230 WeakPolarHBondContact O-CG 3.42Å
225G81.2Confident78.3Confident37 Ų3745 Ų4538%0.38124%0.236SC..Hα-helixtrans-69.2-26.4178.900000114.1K221 Y222 L223 K230K221-G225 PolarHBondContact O-N 3.42Å; Y222-G225 WeakPolarHBondContact O-CA 3.32Å; Y222-G225 PolarHBondContact O-N 3.05Å; Y222-G225 VanDerWaalsContact O-N 3.11Å; L223-G225 PolarHBondContact O-N 3.3Å; G225-K230 WeakPolarHBondContact O-CE 3.43Å
226S82.3Confident79.6Confident4 Ų442.2 Ų42.23%0.02822%0.215CC..  trans-62.8128-175.4176.80000112.1Y222 L223 I224 W228 F229 K230Y222-S226 PolarHBondContact O-N 3.04Å; Y222-S226 VanDerWaalsContact O-N 3.1Å; L223-S226 WeakPolarHBondContact O-CB 3.48Å; L223-S226 PolarHBondContact O-N 3.03Å; L223-S226 VanDerWaalsContact O-N 3.08Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 2.83Å; S226-W228 PolarHBondContact O-N 3.28Å; S226-W228 PolarHBondContact OG-N 2.73Å; S226-F229 PolarHBondContact O-N 3.39Å; S226-F229 VanDerWaalsContact O-N 3.14Å; S226-K230 WeakPolarHBondContact O-CG 3.48Å; S226-K230 PolarHBondContact O-N 2.92Å
227P82.3Confident80.4Confident98 Ų9842 Ų4264%0.63621%0.214SC*.Hα-helixtrans-55.9-36177-27.234.9000113.9
228W83Confident80.7Confident33 Ų3342.9 Ų42.913%0.12522%0.219CC..Hα-helixtrans-68.3-49.3177-176.6100.2000110.5I181 I185 S226 K230 R231 M232 M236 F282I181-W228 HydrophobicContact CB-CH2 4.1Å; I181-W228 HydrophobicContact CB-CZ2 4.27Å; I181-W228 HydrophobicContact CD1-CH2 4.34Å; I181-W228 HydrophobicContact CD1-CZ2 3.69Å; I181-W228 HydrophobicContact CG1-CZ2 4.49Å; I181-W228 HydrophobicContact CG2-CH2 3.27Å; I181-W228 HydrophobicContact CG2-CZ2 3.57Å; I181-W228 HydrophobicContact CG2-CZ3 4.04Å; I185-W228 HydrophobicContact CD1-CH2 4.3Å; I185-W228 HydrophobicContact CD1-CZ3 3.78Å; S226-W228 PolarHBondContact O-N 3.28Å; S226-W228 PolarHBondContact OG-N 2.73Å; W228-K230 PolarHBondContact O-N 2.84Å; W228-R231 WeakPolarHBondContact O-CB 3.3Å; W228-R231 PolarHBondContact O-N 3.4Å; W228-R231 VanDerWaalsContact O-N 3.12Å; W228-M232 HydrophobicContact CD2-CB 4.49Å; W228-M232 HydrophobicContact CD2-CG 3.78Å; W228-M232 HydrophobicContact CE3-CB 4.17Å; W228-M232 HydrophobicContact CE3-CG 3.96Å; W228-M232 HydrophobicContact CH2-CB 3.77Å; W228-M232 HydrophobicContact CH2-CE 4.3Å; W228-M232 HydrophobicContact CH2-CG 3.59Å; W228-M232 HydrophobicContact CZ2-CB 4.17Å; W228-M232 HydrophobicContact CZ2-CE 4.05Å; W228-M232 HydrophobicContact CZ2-CG 3.44Å; W228-M232 VanDerWaalsContact CZ2-CG 3.44Å; W228-M232 HydrophobicContact CZ2-SD 4.25Å; W228-M232 HydrophobicContact CZ3-CB 3.79Å; W228-M232 HydrophobicContact CZ3-CG 3.86Å; W228-M232 WeakPolarHBondContact O-CG 3.43Å; W228-M232 PolarHBondContact O-N 2.93Å; W228-M236 HydrophobicContact CH2-CE 3.74Å; W228-M236 HydrophobicContact CZ3-CE 3.75Å; W228-F282 HydrophobicContact CB-CD1 3.64Å; W228-F282 HydrophobicContact CB-CE1 3.87Å; W228-F282 AromaticContact CD1-CE1 3.74Å; W228-F282 AromaticContact CD2-CD1 3.63Å; W228-F282 HydrophobicContact CD2-CD1 3.63Å; W228-F282 HydrophobicContact CD2-CD2 4.45Å; W228-F282 AromaticContact CD2-CE1 3.26Å; W228-F282 HydrophobicContact CD2-CE1 3.26Å; W228-F282 HydrophobicContact CD2-CE2 4.16Å; W228-F282 HydrophobicContact CD2-CG 4.21Å; W228-F282 AromaticContact CD2-CZ 3.55Å; W228-F282 HydrophobicContact CD2-CZ 3.55Å; W228-F282 AromaticContact CE2-CE1 3.71Å; W228-F282 AromaticContact CE2-CZ 3.64Å; W228-F282 AromaticContact CE3-CD1 3.63Å; W228-F282 HydrophobicContact CE3-CD1 3.63Å; W228-F282 AromaticContact CE3-CD2 3.8Å; W228-F282 HydrophobicContact CE3-CD2 3.8Å; W228-F282 AromaticContact CE3-CE1 3.61Å; W228-F282 HydrophobicContact CE3-CE1 3.61Å; W228-F282 AromaticContact CE3-CE2 3.78Å; W228-F282 HydrophobicContact CE3-CE2 3.78Å; W228-F282 AromaticContact CE3-CG 3.72Å; W228-F282 HydrophobicContact CE3-CG 3.72Å; W228-F282 AromaticContact CE3-CZ 3.68Å; W228-F282 HydrophobicContact CE3-CZ 3.68Å; W228-F282 AromaticContact CG-CD1 3.63Å; W228-F282 HydrophobicContact CG-CD1 3.63Å; W228-F282 AromaticContact CG-CE1 3.35Å; W228-F282 HydrophobicContact CG-CE1 3.35Å; W228-F282 HydrophobicContact CG-CZ 4.13Å; W228-F282 HydrophobicContact CH2-CE2 4.12Å; W228-F282 HydrophobicContact CH2-CZ 4.12Å; W228-F282 HydrophobicContact CZ2-CE1 4.46Å; W228-F282 HydrophobicContact CZ2-CE2 4.4Å; W228-F282 AromaticContact CZ2-CZ 3.94Å; W228-F282 HydrophobicContact CZ2-CZ 3.94Å; W228-F282 AromaticContact CZ3-CD2 3.98Å; W228-F282 HydrophobicContact CZ3-CD2 3.98Å; W228-F282 HydrophobicContact CZ3-CE1 4.37Å; W228-F282 AromaticContact CZ3-CE2 3.77Å; W228-F282 HydrophobicContact CZ3-CE2 3.77Å; W228-F282 HydrophobicContact CZ3-CG 4.37Å; W228-F282 AromaticContact CZ3-CZ 3.98Å; W228-F282 HydrophobicContact CZ3-CZ 3.98Å; W228-F282 AromaticContact NE1-CE1 3.91Å
229F84Confident80.6Confident0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-64.9-42.7-177.1-172.1-96.2000112.2I185 L194 A197 V198 L223 S226 R231 M232 R233 M236I185-F229 HydrophobicContact CD1-CD2 4.43Å; L194-F229 HydrophobicContact CD1-CE2 3.53Å; L194-F229 HydrophobicContact CD1-CZ 3.92Å; A197-F229 HydrophobicContact CB-CE1 3.89Å; A197-F229 HydrophobicContact CB-CZ 3.77Å; V198-F229 HydrophobicContact CG2-CE2 4.49Å; V198-F229 HydrophobicContact CG2-CZ 3.97Å; L223-F229 HydrophobicContact CD1-CB 4.38Å; L223-F229 HydrophobicContact CD1-CD2 3.7Å; L223-F229 HydrophobicContact CD1-CE2 4.14Å; L223-F229 HydrophobicContact CD1-CG 4.03Å; L223-F229 HydrophobicContact CD2-CD2 4.13Å; L223-F229 HydrophobicContact CD2-CE1 4.49Å; L223-F229 HydrophobicContact CD2-CE2 3.71Å; L223-F229 HydrophobicContact CD2-CZ 3.91Å; L223-F229 HydrophobicContact CG-CD1 4.08Å; L223-F229 HydrophobicContact CG-CD2 3.64Å; L223-F229 HydrophobicContact CG-CE1 4.15Å; L223-F229 HydrophobicContact CG-CE2 3.72Å; L223-F229 HydrophobicContact CG-CG 3.82Å; L223-F229 HydrophobicContact CG-CZ 3.97Å; L223-F229 WeakPolarHBondContact O-CB 3.32Å; L223-F229 VanDerWaalsContact O-CD1 3.29Å; L223-F229 WeakPolarHBondContact O-CD1 3.18Å; L223-F229 WeakPolarHBondContact O-CG 3.35Å; S226-F229 PolarHBondContact O-N 3.39Å; S226-F229 VanDerWaalsContact O-N 3.14Å; F229-R231 PolarHBondContact O-N 3.05Å; F229-R231 VanDerWaalsContact O-N 3.11Å; F229-M232 PolarHBondContact O-N 3.44Å; F229-M232 VanDerWaalsContact O-N 3.15Å; F229-R233 HydrophobicContact CE1-CB 4.44Å; F229-R233 HydrophobicContact CE1-CG 4.38Å; F229-R233 VanDerWaalsContact O-CB 3.29Å; F229-R233 WeakPolarHBondContact O-CB 3.38Å; F229-R233 PolarHBondContact O-N 2.94Å; F229-M236 HydrophobicContact CD2-SD 4.13Å; F229-M236 HydrophobicContact CE2-CE 4.49Å; F229-M236 HydrophobicContact CE2-SD 3.62Å; F229-M236 HydrophobicContact CZ-SD 4.39Å
230K84Confident80.3Confident95 Ų9543.6 Ų43.641%0.41322%0.221SC..Hα-helixtrans-51.5-37.5174.6-74.1-178.2179.5176.10112.4I224 G225 S226 W228I224-K230 WeakPolarHBondContact O-CE 3.06Å; I224-K230 WeakPolarHBondContact O-CG 3.42Å; G225-K230 WeakPolarHBondContact O-CE 3.43Å; S226-K230 WeakPolarHBondContact O-CG 3.48Å; S226-K230 PolarHBondContact O-N 2.92Å; W228-K230 PolarHBondContact O-N 2.84Å
231R81.9Confident79.4Confident106 Ų10648 Ų4840%0.424%0.242SC..Hα-helixtrans-79.1-40.8-179.2-162.8-171.3-49.4-177.61.5113.1E172 W228 F229 R233 P234E172-R231 VanDerWaalsContact CD-CD 3.42Å; E172-R231 WeakPolarHBondContact OE1-CD 3.43Å; E172-R231 IonicContact OE1-CZ 2.84Å; E172-R231 IonicContact OE1-NE 2.77Å; E172-R231 IonicContact OE1-NH1 3.9Å; E172-R231 PolarHBondContact OE1-NH1 2.82Å; W228-R231 WeakPolarHBondContact O-CB 3.3Å; W228-R231 PolarHBondContact O-N 3.4Å; W228-R231 VanDerWaalsContact O-N 3.12Å; F229-R231 PolarHBondContact O-N 3.05Å; F229-R231 VanDerWaalsContact O-N 3.11Å; R231-R233 VanDerWaalsContact C-N 3.35Å; R231-P234 WeakPolarHBondContact O-CD 3.15Å
232M82.6Confident78.1Confident4 Ų448.3 Ų48.32%0.0225%0.248CC..Hα-helixtrans-82-16.2-177.4-64.1-64.4-62.800113.1E172 W228 F229 P234 A235 M236E172-M232 VanDerWaalsContact CA-SD 3.57Å; E172-M232 HydrophobicContact CB-SD 3.98Å; E172-M232 HydrophobicContact CG-SD 4.02Å; E172-M232 WeakPolarHBondContact O-CE 3.07Å; W228-M232 HydrophobicContact CD2-CB 4.49Å; W228-M232 HydrophobicContact CD2-CG 3.78Å; W228-M232 HydrophobicContact CE3-CB 4.17Å; W228-M232 HydrophobicContact CE3-CG 3.96Å; W228-M232 HydrophobicContact CH2-CB 3.77Å; W228-M232 HydrophobicContact CH2-CE 4.3Å; W228-M232 HydrophobicContact CH2-CG 3.59Å; W228-M232 HydrophobicContact CZ2-CB 4.17Å; W228-M232 HydrophobicContact CZ2-CE 4.05Å; W228-M232 HydrophobicContact CZ2-CG 3.44Å; W228-M232 VanDerWaalsContact CZ2-CG 3.44Å; W228-M232 HydrophobicContact CZ2-SD 4.25Å; W228-M232 HydrophobicContact CZ3-CB 3.79Å; W228-M232 HydrophobicContact CZ3-CG 3.86Å; W228-M232 WeakPolarHBondContact O-CG 3.43Å; W228-M232 PolarHBondContact O-N 2.93Å; F229-M232 PolarHBondContact O-N 3.44Å; F229-M232 VanDerWaalsContact O-N 3.15Å; M232-P234 VanDerWaalsContact C-CD 3.48Å; M232-A235 WeakPolarHBondContact O-CB 3.21Å; M232-A235 PolarHBondContact O-N 3.06Å; M232-M236 PolarHBondContact O-N 3.45Å
233R82.3Confident76.8Confident38 Ų3850.5 Ų50.514%0.14326%0.262CS..Hα-helixtrans-52-44.1-179.5-173.2179.369.5163.91.8113.7A200 F229 R231 A235 M236 K237A200-R233 PolarHBondContact O-NH1 3.31Å; A200-R233 VanDerWaalsContact O-NH1 3.08Å; F229-R233 HydrophobicContact CE1-CB 4.44Å; F229-R233 HydrophobicContact CE1-CG 4.38Å; F229-R233 VanDerWaalsContact O-CB 3.29Å; F229-R233 WeakPolarHBondContact O-CB 3.38Å; F229-R233 PolarHBondContact O-N 2.94Å; R231-R233 VanDerWaalsContact C-N 3.35Å; R233-A235 PolarHBondContact O-N 3.27Å; R233-M236 PolarHBondContact O-N 3.24Å; R233-K237 WeakPolarHBondContact O-CG 3.34Å; R233-K237 PolarHBondContact O-N 2.96Å
234P82.3Confident74.9Confident76 Ų7655.9 Ų55.949%0.49430%0.298SS..Hα-helixtrans-59.9-42.8175.4-22.835.5000113R231 M232 K237 M238R231-P234 WeakPolarHBondContact O-CD 3.15Å; M232-P234 VanDerWaalsContact C-CD 3.48Å; P234-K237 WeakPolarHBondContact O-CB 3.42Å; P234-K237 PolarHBondContact O-N 2.82Å; P234-M238 PolarHBondContact O-N 3.01Å; P234-M238 VanDerWaalsContact O-N 3.13Å
235A78.5Confident72.8Confident15 Ų1563.6 Ų63.612%0.12433%0.332CS..Hα-helixtrans-64-43.2176.700000111.5E172 M173 M232 R233 K237 M238 E239E172-A235 WeakPolarHBondContact O-CB 3.37Å; M173-A235 HydrophobicContact CG-CB 3.86Å; M173-A235 HydrophobicContact SD-CB 4.45Å; M232-A235 WeakPolarHBondContact O-CB 3.21Å; M232-A235 PolarHBondContact O-N 3.06Å; R233-A235 PolarHBondContact O-N 3.27Å; A235-K237 VanDerWaalsContact C-N 3.32Å; A235-K237 PolarHBondContact O-N 3.34Å; A235-M238 PolarHBondContact O-N 3.26Å; A235-E239 PolarHBondContact O-N 3.22Å
236M81.6Confident70.6Confident2 Ų267 Ų671%0.0135%0.345CS..Hα-helixtrans-63.4-35.9175-69.9177.6166.300112.7I185 L194 V198 W228 F229 M232 R233 E239 C240I185-M236 HydrophobicContact CD1-CE 3.62Å; L194-M236 HydrophobicContact CD1-SD 4.37Å; V198-M236 HydrophobicContact CG1-CB 4.42Å; V198-M236 HydrophobicContact CG2-CB 4.01Å; V198-M236 HydrophobicContact CG2-SD 4.31Å; W228-M236 HydrophobicContact CH2-CE 3.74Å; W228-M236 HydrophobicContact CZ3-CE 3.75Å; F229-M236 HydrophobicContact CD2-SD 4.13Å; F229-M236 HydrophobicContact CE2-CE 4.49Å; F229-M236 HydrophobicContact CE2-SD 3.62Å; F229-M236 HydrophobicContact CZ-SD 4.39Å; M232-M236 PolarHBondContact O-N 3.45Å; R233-M236 PolarHBondContact O-N 3.24Å; M236-E239 PolarHBondContact O-N 2.55Å; M236-C240 PolarHBondContact O-N 2.97Å; M236-C240 PolarHBondContact O-SG 2.79Å
237K80.7Confident68.3Low72 Ų7271.8 Ų71.831%0.31338%0.379SS..Hα-helixtrans-62.6-42.8174.1-79.5-173.6176.6-169.30111.8V198 R233 P234 A235 Q241V198-K237 HydrophobicContact CG1-CB 4.4Å; V198-K237 HydrophobicContact CG1-CG 3.58Å; V198-K237 WeakPolarHBondContact O-CE 3.15Å; R233-K237 WeakPolarHBondContact O-CG 3.34Å; R233-K237 PolarHBondContact O-N 2.96Å; P234-K237 WeakPolarHBondContact O-CB 3.42Å; P234-K237 PolarHBondContact O-N 2.82Å; A235-K237 VanDerWaalsContact C-N 3.32Å; A235-K237 PolarHBondContact O-N 3.34Å; K237-Q241 WeakPolarHBondContact O-CG 3.24Å; K237-Q241 PolarHBondContact O-N 3.05Å
238M74.1Confident65.8Low108 Ų10875.8 Ų75.853%0.53239%0.389SS..Hα-helixtrans-63.7-47.2177.2-69.9-178.264.400111.2P234 A235 C240 Q241 D242P234-M238 PolarHBondContact O-N 3.01Å; P234-M238 VanDerWaalsContact O-N 3.13Å; A235-M238 PolarHBondContact O-N 3.26Å; M238-C240 PolarHBondContact O-N 3.14Å; M238-Q241 WeakPolarHBondContact O-CB 3.37Å; M238-Q241 PolarHBondContact O-N 3.48Å; M238-D242 PolarHBondContact O-N 2.97Å
239E71.3Confident63.4Low48 Ų4879 Ų7922%0.22442%0.422CS..Hα-helixtrans-60.9-40.9178.9-171.7-179.2-135.800112.5R182 A235 M236 Q241 D242 L243R182-E239 IonicContact NH1-OE2 3.22Å; A235-E239 PolarHBondContact O-N 3.22Å; M236-E239 PolarHBondContact O-N 2.55Å; E239-Q241 VanDerWaalsContact C-N 3.26Å; E239-Q241 PolarHBondContact O-N 3.31Å; E239-D242 PolarHBondContact O-N 2.78Å; E239-L243 HydrophobicContact CG-CD1 4.12Å; E239-L243 PolarHBondContact O-N 2.66Å; E239-L243 VanDerWaalsContact O-N 3.08Å
240C67.6Low61.1Low14 Ų1485.1 Ų85.110%0.09546%0.46CS..Hα-helixtrans-59.2-35173.1-75.20000113.1R182 M236 M238 C244R182-C240 PolarHBondContact NH1-SG 3.38Å; R182-C240 PolarHBondContact NH2-SG 3.3Å; M236-C240 PolarHBondContact O-N 2.97Å; M236-C240 PolarHBondContact O-SG 2.79Å; M238-C240 PolarHBondContact O-N 3.14Å; C240-C244 PolarHBondContact O-N 3.11Å; C240-C244 PolarHBondContact O-SG 3.44Å
241Q61.7Low58.4Low127 Ų12788.8 Ų88.859%0.59348%0.484SS*.Hα-helixtrans-74.5-30.8179.9-70.3172.91.900112.3K237 M238 E239K237-Q241 WeakPolarHBondContact O-CG 3.24Å; K237-Q241 PolarHBondContact O-N 3.05Å; M238-Q241 WeakPolarHBondContact O-CB 3.37Å; M238-Q241 PolarHBondContact O-N 3.48Å; E239-Q241 VanDerWaalsContact C-N 3.26Å; E239-Q241 PolarHBondContact O-N 3.31Å
242D54.5Low56.3Low88 Ų8889.4 Ų89.447%0.47150%0.499SS..Hα-helixtrans-77.8-36.9178-69.8-30.6000112.3M238 E239 C244 K245M238-D242 PolarHBondContact O-N 2.97Å; E239-D242 PolarHBondContact O-N 2.78Å; D242-C244 VanDerWaalsContact C-N 3.31Å; D242-C244 PolarHBondContact O-N 3.29Å; D242-K245 WeakPolarHBondContact O-CB 3.26Å; D242-K245 PolarHBondContact O-N 3.23Å; D242-K245 IonicContact OD1-NZ 3.48Å
243L53.8Low53.8Low92 Ų9298.2 Ų98.248%0.48254%0.537SS..Hα-helixtrans-62-34173.1-82.4152.2000113.1E239 K245 T246E239-L243 HydrophobicContact CG-CD1 4.12Å; E239-L243 PolarHBondContact O-N 2.66Å; E239-L243 VanDerWaalsContact O-N 3.08Å; L243-K245 PolarHBondContact O-N 3.02Å; L243-T246 PolarHBondContact O-N 2.9Å; L243-T246 PolarHBondContact O-OG1 3.47Å
244C42.2Very low51.3Low113 Ų113102.5 Ų102.576%0.76457%0.57SS**Hα-helixtrans-65.9-13.5174.4-730000113.5C240 D242C240-C244 PolarHBondContact O-N 3.11Å; C240-C244 PolarHBondContact O-SG 3.44Å; D242-C244 VanDerWaalsContact C-N 3.31Å; D242-C244 PolarHBondContact O-N 3.29Å
245K37.5Very low49.5Very low165 Ų165105.2 Ų105.272%0.71758%0.579SS**Hα-helixtrans-95.3-16.5178.3-63.1174.9-173.4161.70113.8D242 L243D242-K245 WeakPolarHBondContact O-CB 3.26Å; D242-K245 PolarHBondContact O-N 3.23Å; D242-K245 IonicContact OD1-NZ 3.48Å; L243-K245 PolarHBondContact O-N 3.02Å
246T34.4Very low47.7Very low108 Ų108109.2 Ų109.266%0.66361%0.606SS**Hα-helixtrans-112.41.5-171.648.40000114.6L243 E248L243-T246 PolarHBondContact O-N 2.9Å; L243-T246 PolarHBondContact O-OG1 3.47Å; T246-E248 VanDerWaalsContact C-N 3.33Å; T246-E248 PolarHBondContact O-N 3.15Å
247S33.5Very low46Very low105 Ų105115.1 Ų115.173%0.73464%0.644SS**  trans-8075.1179-178.80000112.5
248E30.5Very low44.7Very low183 Ų183116 Ų11686%0.85565%0.652SS**  trans-93.8136.7148.2-76.2-175.1171.300109T246T246-E248 VanDerWaalsContact C-N 3.33Å; T246-E248 PolarHBondContact O-N 3.15Å
249A31.7Very low44.5Very low99 Ų99112.9 Ų112.982%0.81864%0.641SS**  trans-65.4135.2-156.700000114.9
250V36.4Very low44.8Very low130 Ų130113.9 Ų113.979%0.78865%0.648SS**  trans-115.9113.5158.8-177.80000107.8V252V250-V252 HydrophobicContact CG1-CG2 4.23Å; V250-V252 PolarHBondContact O-N 3.47Å; V250-V252 VanDerWaalsContact O-N 3.12Å
251D28.4Very low45.6Very low172 Ų172116.7 Ų116.792%0.9266%0.662SS**  trans-66100.6173.9-102.8-36.1000110
252V36Very low46.7Very low118 Ų118113 Ų11372%0.71565%0.648SS**  trans-105.5123.2168-1780000108.4V250V250-V252 HydrophobicContact CG1-CG2 4.23Å; V250-V252 PolarHBondContact O-N 3.47Å; V250-V252 VanDerWaalsContact O-N 3.12Å
253K30.5Very low48.3Very low190 Ų190111.8 Ų111.883%0.82665%0.645SS**PPolyproline II helixtrans-53.9128.6173.9-93.9178.4175.9176.10110.4I255K253-I255 PolarHBondContact O-N 2.81Å
254P30.5Very low50Low128 Ų128108 Ų10883%0.83163%0.627SS**PPolyproline II helixtrans-72.3116.5-178.127.2-32.3000110.7
255I43.2Very low52.3Low133 Ų133108.5 Ų108.568%0.68262%0.616SS**PPolyproline II helixtrans-68.2146155.9-61.1169.1000106.8K253K253-I255 PolarHBondContact O-N 2.81Å
256S41.5Very low55Low98 Ų98105.4 Ų105.469%0.68561%0.607SS**  trans-36.4158.6-169.767.10000118.2D258S256-D258 VanDerWaalsContact C-N 3.33Å; S256-D258 PolarHBondContact O-N 2.73Å
257P46.8Very low57.8Low127 Ų127101.6 Ų101.683%0.82558%0.582SS**SBendtrans-82.119.2-146.235.5-37.3000116.7S259P257-S259 PolarHBondContact O-N 2.95Å
258D52.9Low60.7Low90 Ų90100.1 Ų100.148%0.48157%0.569SS.*  trans-7872.7165.3-108.6-8.9000108S256 K265S256-D258 VanDerWaalsContact C-N 3.33Å; S256-D258 PolarHBondContact O-N 2.73Å; D258-K265 IonicContact OD1-NZ 3.29Å; D258-K265 PolarHBondContact OD1-NZ 3.28Å; D258-K265 IonicContact OD2-NZ 3.5Å; D258-K265 PolarHBondContact OD2-NZ 2.99Å
259S68.7Low63.7Low43 Ų4392.2 Ų92.230%0.30153%0.533SS..  trans-44.9142.2174.864.10000109.7P257 D261 T262P257-S259 PolarHBondContact O-N 2.95Å; S259-D261 WeakPolarHBondContact CB-OD2 3.24Å; S259-D261 PolarHBondContact O-N 2.94Å; S259-D261 WeakPolarHBondContact OG-CB 3.35Å; S259-D261 PolarHBondContact OG-N 3.3Å; S259-T262 PolarHBondContact O-N 2.82Å; S259-T262 PolarHBondContact O-OG1 3Å
260L78Confident66.7Low68 Ų6890 Ų9036%0.35651%0.509SS..THydrogen-bonded Turntrans-54.2-6.3163.9-87.5152.6000112.3E186 G190 R191E186-L260 HydrophobicContact CB-CD2 4.3Å; G190-L260 CarbonylContact C-O 3.59Å; G190-L260 WeakPolarHBondContact CA-O 3.41Å; R191-L260 WeakPolarHBondContact CB-O 3.42Å; R191-L260 PolarHBondContact N-O 2.83Å
261D84Confident68.9Low74 Ų7486.1 Ų86.140%0.39650%0.496SS..THydrogen-bonded Turntrans-75.1-21175.7-50.4-43.8000113.3R191 S259R191-D261 IonicContact NH1-OD1 3.31Å; R191-D261 PolarHBondContact NH1-OD1 3.25Å; S259-D261 WeakPolarHBondContact CB-OD2 3.24Å; S259-D261 PolarHBondContact O-N 2.94Å; S259-D261 WeakPolarHBondContact OG-CB 3.35Å; S259-D261 PolarHBondContact OG-N 3.3Å
262T85.7Confident70.6Confident48 Ų4879 Ų7929%0.29446%0.459SS..SBendtrans-98.2145.5179.862.70000113.6R13 S259R13-T262 PolarHBondContact NH1-O 3.47Å; R13-T262 PolarHBondContact NH2-O 2.97Å; S259-T262 PolarHBondContact O-N 2.82Å; S259-T262 PolarHBondContact O-OG1 3Å
263P88.4Confident72.1Confident63 Ų6377 Ų7741%0.40945%0.451SS..PPolyproline II helixtrans-60.6155.7173-18.127.9000113.1H189H189-P263 WeakPolarHBondContact O-CG 3.22Å
264A90.1Very high73.7Confident13 Ų1368.1 Ų68.111%0.10741%0.412CS..PPolyproline II helixtrans-66.6134.5176.500000110.8V188 I267 C323V188-A264 PolarHBondContact O-N 2.85Å; A264-I267 HydrophobicContact CB-CG1 4.38Å; A264-C323 WeakPolarHBondContact O-CB 3.45Å; A264-C323 PolarHBondContact O-SG 2.94Å
265K90.3Very high75.4Confident123 Ų12365.6 Ų65.654%0.53540%0.395SS..SBendtrans-90.2-20.3174.5-64.1171.3-172.5146.80112.9D258 C323 R324D258-K265 IonicContact OD1-NZ 3.29Å; D258-K265 PolarHBondContact OD1-NZ 3.28Å; D258-K265 IonicContact OD2-NZ 3.5Å; D258-K265 PolarHBondContact OD2-NZ 2.99Å; K265-C323 CarbonylContact O-C 3.45Å; K265-C323 WeakPolarHBondContact O-CA 3.38Å; K265-R324 PolarHBondContact O-N 3.3Å
266L93.3Very high76.4Confident101 Ų10161.1 Ų61.153%0.52937%0.373SS..EExtended strand (participates in β ladder)trans-143.5133.4-18017964.3000109.6V268 R324 V326L266-V268 HydrophobicContact CD1-CG2 4.42Å; L266-V268 HydrophobicContact CD2-CG2 4.07Å; L266-V268 HydrophobicContact CG-CG2 4.01Å; L266-R324 CarbonylContact C-O 3.57Å; L266-R324 WeakPolarHBondContact CA-O 3.36Å; L266-R324 HydrophobicContact CD1-CB 3.91Å; L266-V326 HydrophobicContact CD1-CG2 3.78Å
267I93.8Very high77.5Confident28 Ų2857.1 Ų57.114%0.14434%0.344CS..EExtended strand (participates in β ladder)trans-120.9123.7169.5-67.5171.6000107.7V188 A264 V269 W284 P285 R324 L325 V326V188-I267 HydrophobicContact CG1-CD1 4.33Å; A264-I267 HydrophobicContact CB-CG1 4.38Å; I267-V269 HydrophobicContact CG2-CG2 4.03Å; I267-W284 HydrophobicContact CG2-CH2 4.44Å; I267-W284 HydrophobicContact CG2-CZ3 4.1Å; I267-P285 VanDerWaalsContact CD1-CD 3.41Å; I267-P285 HydrophobicContact CD1-CG 3.7Å; I267-R324 PolarHBondContact N-O 2.76Å; I267-L325 HydrophobicContact CB-CD1 4.38Å; I267-L325 HydrophobicContact CG2-CD1 4.1Å; I267-L325 WeakPolarHBondContact O-CA 3.44Å; I267-V326 PolarHBondContact O-N 3.35Å
268V94.7Very high78.5Confident73 Ų7359.8 Ų59.844%0.44234%0.338SS..EExtended strand (participates in β ladder)trans-109.4125.1174.9-175.40000108.7L266 V270 V326 I328L266-V268 HydrophobicContact CD1-CG2 4.42Å; L266-V268 HydrophobicContact CD2-CG2 4.07Å; L266-V268 HydrophobicContact CG-CG2 4.01Å; V268-V270 HydrophobicContact CG1-CG2 4.26Å; V268-V326 WeakPolarHBondContact CA-O 3.5Å; V268-V326 HydrophobicContact CG2-CB 4.34Å; V268-I328 HydrophobicContact CG1-CD1 3.52Å; V268-I328 HydrophobicContact CG1-CG1 4.39Å
269V93.4Very high79.4Confident17 Ų1760.4 Ų60.410%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-111.8122.1-176.9-175.30000109.1I267 L274 W284 L325 V326 I327 I328I267-V269 HydrophobicContact CG2-CG2 4.03Å; V269-L274 HydrophobicContact CG1-CD1 4.28Å; V269-L274 HydrophobicContact CG1-CD2 3.42Å; V269-L274 VanDerWaalsContact CG1-CD2 3.42Å; V269-L274 HydrophobicContact CG1-CG 4.46Å; V269-W284 HydrophobicContact CG2-CH2 3.63Å; V269-W284 HydrophobicContact CG2-CZ3 4.2Å; V269-L325 HydrophobicContact CG2-CD1 3.59Å; V269-V326 PolarHBondContact N-O 2.77Å; V269-I327 HydrophobicContact CB-CG1 4.35Å; V269-I328 PolarHBondContact O-N 2.99Å
270V93.3Very high80.1Confident53 Ų5358.7 Ų58.732%0.32133%0.328SS..EExtended strand (participates in β ladder)trans-115.3126.6-174.3-174.40000110.5V268 S272 I328 C347 F351V268-V270 HydrophobicContact CG1-CG2 4.26Å; V270-S272 PolarHBondContact O-N 3.1Å; V270-I328 WeakPolarHBondContact CA-O 3.42Å; V270-I328 HydrophobicContact CG2-CD1 4.2Å; V270-C347 HydrophobicContact CG1-CB 4.11Å; V270-C347 WeakPolarHBondContact CG1-SG 3.07Å; V270-F351 HydrophobicContact CG1-CE2 4.27Å; V270-F351 HydrophobicContact CG2-CE2 4.24Å; V270-F351 HydrophobicContact CG2-CZ 4.15Å
271G83Confident80.2Confident49 Ų4956.9 Ų56.951%0.50532%0.321SS..SBendtrans65.230.815900000117.1I328G271-I328 PolarHBondContact N-O 2.98Å
272S64.9Low80.3Confident22 Ų2253.4 Ų53.415%0.15430%0.302CS..  trans-121.4133.2-173.4-176.50000114.2Q18 V270 L274Q18-S272 PolarHBondContact NE2-OG 2.98Å; V270-S272 PolarHBondContact O-N 3.1Å; S272-L274 VanDerWaalsContact C-N 3.31Å; S272-L274 PolarHBondContact O-N 3.41Å
273S67.8Low80.4Confident77 Ų7751.8 Ų51.854%0.53829%0.292SS..  trans-67.196.2151.9178.30000107.6T275S273-T275 PolarHBondContact O-N 3.12Å; S273-T275 PolarHBondContact O-OG1 3.31Å; S273-T275 WeakPolarHBondContact OG-CG2 3.33Å; S273-T275 PolarHBondContact OG-OG1 2.69Å
274L64.5Low80.3Confident2 Ų249.5 Ų49.51%0.0128%0.275CS..THydrogen-bonded Turntrans-66.112.1-177.2-55-178.1000114V269 S272 L277 I327 T333 K335V269-L274 HydrophobicContact CG1-CD1 4.28Å; V269-L274 HydrophobicContact CG1-CD2 3.42Å; V269-L274 VanDerWaalsContact CG1-CD2 3.42Å; V269-L274 HydrophobicContact CG1-CG 4.46Å; S272-L274 VanDerWaalsContact C-N 3.31Å; S272-L274 PolarHBondContact O-N 3.41Å; L274-L277 HydrophobicContact CB-CD1 3.77Å; L274-L277 HydrophobicContact CD2-CD1 3.22Å; L274-L277 HydrophobicContact CD2-CG 4.35Å; L274-L277 HydrophobicContact CG-CD1 3.96Å; L274-L277 WeakPolarHBondContact O-CB 3.49Å; L274-L277 PolarHBondContact O-N 2.93Å; L274-I327 HydrophobicContact CD1-CD1 4.03Å; L274-T333 HydrophobicContact CD1-CG2 4.38Å; L274-T333 WeakPolarHBondContact CD1-OG1 3.29Å; L274-T333 HydrophobicContact CG-CG2 4.27Å; L274-K335 HydrophobicContact CB-CG 4.5Å; L274-K335 HydrophobicContact CD1-CB 3.66Å; L274-K335 HydrophobicContact CD1-CD 3.95Å; L274-K335 HydrophobicContact CD1-CG 3.8Å
275T64.6Low80Confident76 Ų7649.6 Ų49.647%0.46627%0.274SS..THydrogen-bonded Turntrans-65-38.1176.353.10000111.9S273 L277 R278S273-T275 PolarHBondContact O-N 3.12Å; S273-T275 PolarHBondContact O-OG1 3.31Å; S273-T275 WeakPolarHBondContact OG-CG2 3.33Å; S273-T275 PolarHBondContact OG-OG1 2.69Å; T275-L277 PolarHBondContact O-N 3.03Å; T275-R278 WeakPolarHBondContact O-CG 3.41Å
276V64.2Low79.4Confident38 Ų3847.3 Ų47.323%0.2326%0.263CS..G310 helixtrans-70.8-23.1179-171.90000111.9F166 R278 N279F166-V276 HydrophobicContact CE2-CG2 3.97Å; V276-R278 PolarHBondContact O-N 2.84Å; V276-R278 VanDerWaalsContact O-N 3.08Å; V276-N279 PolarHBondContact O-N 2.8Å
277L65Low78.5Confident14 Ų1442.9 Ų42.97%0.07324%0.242CC..G310 helixtrans-69.8-5.4-179.2-65.9174.5000115.3L274 T275 N279 Y280 W284L274-L277 HydrophobicContact CB-CD1 3.77Å; L274-L277 HydrophobicContact CD2-CD1 3.22Å; L274-L277 HydrophobicContact CD2-CG 4.35Å; L274-L277 HydrophobicContact CG-CD1 3.96Å; L274-L277 WeakPolarHBondContact O-CB 3.49Å; L274-L277 PolarHBondContact O-N 2.93Å; T275-L277 PolarHBondContact O-N 3.03Å; L277-N279 PolarHBondContact O-N 2.97Å; L277-Y280 HydrophobicContact CD2-CD2 3.92Å; L277-Y280 HydrophobicContact CD2-CG 4.48Å; L277-Y280 CarbonylContact O-C 3.47Å; L277-Y280 PolarHBondContact O-N 2.91Å; L277-W284 HydrophobicContact CD1-CH2 4.49Å; L277-W284 HydrophobicContact CD1-CZ2 3.58Å
278R67.3Low77.9Confident184 Ų18442.1 Ų42.169%0.69424%0.238SC*.G310 helixtrans-56-30.9172.8-70.1-179.9178.8-174.90.8111.8T275 V276 Y280T275-R278 WeakPolarHBondContact O-CG 3.41Å; V276-R278 PolarHBondContact O-N 2.84Å; V276-R278 VanDerWaalsContact O-N 3.08Å; R278-Y280 VanDerWaalsContact C-N 3.32Å
279N73.1Confident76.7Confident102 Ų10239.8 Ų39.855%0.54523%0.229SC..G310 helixtrans-81.1-11.1177.3-65.2-24.5000113.7V276 L277V276-N279 PolarHBondContact O-N 2.8Å; L277-N279 PolarHBondContact O-N 2.97Å
280Y82.4Confident75.8Confident8 Ų846.3 Ų46.33%0.03125%0.251CS..G310 helixtrans-112.430.6-176.9-59.4-63.7000112.2L37 H38 Q170 L277 R278 F282 L283 W284L37-Y280 HydrophobicContact CB-CE1 4.1Å; L37-Y280 HydrophobicContact CB-CE2 4.49Å; L37-Y280 HydrophobicContact CD1-CD1 3.95Å; L37-Y280 HydrophobicContact CD1-CD2 4.11Å; L37-Y280 HydrophobicContact CD1-CE1 4.06Å; L37-Y280 HydrophobicContact CD1-CE2 4.2Å; L37-Y280 HydrophobicContact CD1-CG 4Å; L37-Y280 HydrophobicContact CG-CE1 4.49Å; H38-Y280 AromaticContact CD2-CZ 3.98Å; H38-Y280 PolarHBondContact CD2-OH 2.9Å; H38-Y280 AromaticContact NE2-CE2 3.43Å; H38-Y280 WeakPolarHBondContact NE2-CE2 3.23Å; H38-Y280 AromaticContact NE2-CZ 3.64Å; H38-Y280 PolarHBondContact NE2-OH 3.45Å; Q170-Y280 HydrophobicContact CG-CE1 4.38Å; L277-Y280 HydrophobicContact CD2-CD2 3.92Å; L277-Y280 HydrophobicContact CD2-CG 4.48Å; L277-Y280 CarbonylContact O-C 3.47Å; L277-Y280 PolarHBondContact O-N 2.91Å; R278-Y280 VanDerWaalsContact C-N 3.32Å; Y280-F282 AromaticContact CD1-CE1 3.76Å; Y280-F282 HydrophobicContact CD1-CE1 3.76Å; Y280-F282 AromaticContact CD1-CZ 3.8Å; Y280-F282 HydrophobicContact CD1-CZ 3.8Å; Y280-F282 PolarHBondContact O-N 3.08Å; Y280-F282 VanDerWaalsContact O-N 3.1Å; Y280-L283 HydrophobicContact CD1-CD1 4.34Å; Y280-L283 HydrophobicContact CG-CD1 4.49Å; Y280-L283 PolarHBondContact O-N 3.24Å; Y280-W284 VanDerWaalsContact O-CD1 3.23Å
281S81.3Confident74.8Confident30 Ų3045.7 Ų45.721%0.2125%0.249CC..G310 helixtrans-55.6-29.1179.462.40000113.1Y222 L283 W284Y222-S281 VanDerWaalsContact CE1-O 3.29Å; Y222-S281 WeakPolarHBondContact CE1-O 3.35Å; Y222-S281 PolarHBondContact OH-O 3.08Å; S281-L283 PolarHBondContact O-N 2.95Å; S281-W284 PolarHBondContact O-N 3.11Å
282F85.1Confident74Confident0 Ų044.6 Ų44.60%024%0.237CC..G310 helixtrans-69-15.6176.666-89.2000113.9I181 I185 H189 L223 W228 Y280 W284I181-F282 HydrophobicContact CG2-CE2 3.45Å; I181-F282 VanDerWaalsContact CG2-CE2 3.45Å; I181-F282 HydrophobicContact CG2-CZ 3.76Å; I185-F282 HydrophobicContact CD1-CD2 3.68Å; I185-F282 HydrophobicContact CD1-CE2 3.84Å; I185-F282 HydrophobicContact CG1-CD2 3.67Å; I185-F282 HydrophobicContact CG1-CE2 3.89Å; H189-F282 PolarHBondContact NE2-O 2.89Å; L223-F282 HydrophobicContact CD1-CB 3.96Å; W228-F282 HydrophobicContact CB-CD1 3.64Å; W228-F282 HydrophobicContact CB-CE1 3.87Å; W228-F282 AromaticContact CD1-CE1 3.74Å; W228-F282 AromaticContact CD2-CD1 3.63Å; W228-F282 HydrophobicContact CD2-CD1 3.63Å; W228-F282 HydrophobicContact CD2-CD2 4.45Å; W228-F282 AromaticContact CD2-CE1 3.26Å; W228-F282 HydrophobicContact CD2-CE1 3.26Å; W228-F282 HydrophobicContact CD2-CE2 4.16Å; W228-F282 HydrophobicContact CD2-CG 4.21Å; W228-F282 AromaticContact CD2-CZ 3.55Å; W228-F282 HydrophobicContact CD2-CZ 3.55Å; W228-F282 AromaticContact CE2-CE1 3.71Å; W228-F282 AromaticContact CE2-CZ 3.64Å; W228-F282 AromaticContact CE3-CD1 3.63Å; W228-F282 HydrophobicContact CE3-CD1 3.63Å; W228-F282 AromaticContact CE3-CD2 3.8Å; W228-F282 HydrophobicContact CE3-CD2 3.8Å; W228-F282 AromaticContact CE3-CE1 3.61Å; W228-F282 HydrophobicContact CE3-CE1 3.61Å; W228-F282 AromaticContact CE3-CE2 3.78Å; W228-F282 HydrophobicContact CE3-CE2 3.78Å; W228-F282 AromaticContact CE3-CG 3.72Å; W228-F282 HydrophobicContact CE3-CG 3.72Å; W228-F282 AromaticContact CE3-CZ 3.68Å; W228-F282 HydrophobicContact CE3-CZ 3.68Å; W228-F282 AromaticContact CG-CD1 3.63Å; W228-F282 HydrophobicContact CG-CD1 3.63Å; W228-F282 AromaticContact CG-CE1 3.35Å; W228-F282 HydrophobicContact CG-CE1 3.35Å; W228-F282 HydrophobicContact CG-CZ 4.13Å; W228-F282 HydrophobicContact CH2-CE2 4.12Å; W228-F282 HydrophobicContact CH2-CZ 4.12Å; W228-F282 HydrophobicContact CZ2-CE1 4.46Å; W228-F282 HydrophobicContact CZ2-CE2 4.4Å; W228-F282 AromaticContact CZ2-CZ 3.94Å; W228-F282 HydrophobicContact CZ2-CZ 3.94Å; W228-F282 AromaticContact CZ3-CD2 3.98Å; W228-F282 HydrophobicContact CZ3-CD2 3.98Å; W228-F282 HydrophobicContact CZ3-CE1 4.37Å; W228-F282 AromaticContact CZ3-CE2 3.77Å; W228-F282 HydrophobicContact CZ3-CE2 3.77Å; W228-F282 HydrophobicContact CZ3-CG 4.37Å; W228-F282 AromaticContact CZ3-CZ 3.98Å; W228-F282 HydrophobicContact CZ3-CZ 3.98Å; W228-F282 AromaticContact NE1-CE1 3.91Å; Y280-F282 AromaticContact CD1-CE1 3.76Å; Y280-F282 HydrophobicContact CD1-CE1 3.76Å; Y280-F282 AromaticContact CD1-CZ 3.8Å; Y280-F282 HydrophobicContact CD1-CZ 3.8Å; Y280-F282 PolarHBondContact O-N 3.08Å; Y280-F282 VanDerWaalsContact O-N 3.1Å; F282-W284 VanDerWaalsContact C-N 3.29Å
283L88.6Confident73.3Confident15 Ų1552.6 Ų52.68%0.07927%0.273CS..G310 helixtrans-90.59.2174.1-63.4-179.2000113V16 L37 A184 I185 V188 Y280 S281V16-L283 HydrophobicContact CG1-CD1 4.03Å; L37-L283 HydrophobicContact CD1-CD1 3.58Å; L37-L283 HydrophobicContact CD2-CD1 3.79Å; L37-L283 HydrophobicContact CG-CD1 4.32Å; A184-L283 HydrophobicContact CB-CD1 4.45Å; A184-L283 HydrophobicContact CB-CD2 3.66Å; I185-L283 HydrophobicContact CG1-CD2 3.77Å; V188-L283 WeakPolarHBondContact CG1-O 3.35Å; Y280-L283 HydrophobicContact CD1-CD1 4.34Å; Y280-L283 HydrophobicContact CG-CD1 4.49Å; Y280-L283 PolarHBondContact O-N 3.24Å; S281-L283 PolarHBondContact O-N 2.95Å
284W86.4Confident72.3Confident14 Ų1455.1 Ų55.15%0.05328%0.279CS..SBendtrans-110.7134.6175.1-62.889.2000109.6H189 Y222 I267 V269 L277 Y280 S281 F282 L288 L325 K335H189-W284 PolarHBondContact CE1-O 3.1Å; H189-W284 VanDerWaalsContact CE1-O 3.26Å; Y222-W284 WeakPolarHBondContact CE1-O 3.45Å; I267-W284 HydrophobicContact CG2-CH2 4.44Å; I267-W284 HydrophobicContact CG2-CZ3 4.1Å; V269-W284 HydrophobicContact CG2-CH2 3.63Å; V269-W284 HydrophobicContact CG2-CZ3 4.2Å; L277-W284 HydrophobicContact CD1-CH2 4.49Å; L277-W284 HydrophobicContact CD1-CZ2 3.58Å; Y280-W284 VanDerWaalsContact O-CD1 3.23Å; S281-W284 PolarHBondContact O-N 3.11Å; F282-W284 VanDerWaalsContact C-N 3.29Å; W284-L288 HydrophobicContact CB-CB 4.33Å; W284-L288 HydrophobicContact CE3-CB 3.95Å; W284-L325 HydrophobicContact CH2-CD1 4.39Å; W284-L325 HydrophobicContact CZ3-CD1 3.76Å; W284-L325 HydrophobicContact CZ3-CD2 4.23Å; W284-K335 HydrophobicContact CH2-CD 4.21Å; W284-K335 HydrophobicContact CZ2-CD 4.28Å; W284-K335 HydrophobicContact CZ3-CD 4.32Å
285P83.2Confident70.8Confident15 Ų1559.8 Ų59.810%0.09731%0.312CS..  trans-55.5157.7162.9-23.534.3000110.9V188 I267 G287 L288 C323V188-P285 HydrophobicContact CG1-CG 3.86Å; I267-P285 VanDerWaalsContact CD1-CD 3.41Å; I267-P285 HydrophobicContact CD1-CG 3.7Å; P285-G287 PolarHBondContact O-N 3.45Å; P285-L288 HydrophobicContact CB-CD1 4.19Å; P285-L288 HydrophobicContact CG-CD1 4.08Å; P285-L288 PolarHBondContact O-N 3.06Å; P285-L288 VanDerWaalsContact O-N 3.09Å; P285-C323 HydrophobicContact CB-CB 4.11Å; P285-C323 HydrophobicContact CG-CB 3.83Å
286Y77.4Confident69.1Low75 Ų7562 Ų6229%0.29433%0.331SS..THydrogen-bonded Turntrans-52.1133179.9-179.8-107.8000111.7L208 Y222 L288L208-Y286 HydrophobicContact CD1-CD2 4.29Å; L208-Y286 HydrophobicContact CD1-CE2 3.63Å; Y222-Y286 AromaticContact CD2-CD2 3.69Å; Y222-Y286 HydrophobicContact CD2-CD2 3.69Å; Y222-Y286 HydrophobicContact CD2-CE2 4.38Å; Y222-Y286 HydrophobicContact CE2-CD2 4.5Å; Y222-Y286 HydrophobicContact CG-CD2 4.04Å; Y286-L288 VanDerWaalsContact C-N 3.3Å; Y286-L288 PolarHBondContact O-N 3.16Å
287G74.4Confident67.4Low9 Ų965.1 Ų65.19%0.09335%0.354CS..THydrogen-bonded Turntrans88.1-28.9-178.700000115.2P285P285-G287 PolarHBondContact O-N 3.45Å
288L80.5Confident65.6Low12 Ų1270.1 Ų70.16%0.06339%0.39CS..THydrogen-bonded Turntrans-83.8-12.6-179.2-61.6-178.6000113.7W284 P285 Y286 R290 C323 L325 K335W284-L288 HydrophobicContact CB-CB 4.33Å; W284-L288 HydrophobicContact CE3-CB 3.95Å; P285-L288 HydrophobicContact CB-CD1 4.19Å; P285-L288 HydrophobicContact CG-CD1 4.08Å; P285-L288 PolarHBondContact O-N 3.06Å; P285-L288 VanDerWaalsContact O-N 3.09Å; Y286-L288 VanDerWaalsContact C-N 3.3Å; Y286-L288 PolarHBondContact O-N 3.16Å; L288-R290 PolarHBondContact O-N 2.74Å; L288-C323 HydrophobicContact CD1-CB 4.27Å; L288-L325 HydrophobicContact CD1-CB 4.26Å; L288-L325 HydrophobicContact CD2-CB 4.12Å; L288-L325 HydrophobicContact CD2-CD2 4.23Å; L288-K335 WeakPolarHBondContact O-CE 3.46Å
289G69.8Low63.7Low23 Ų2369.8 Ų69.824%0.23740%0.397CS..THydrogen-bonded Turntrans-73.4-11.4176.600000114.8
290R74.2Confident61.6Low154 Ų15473.5 Ų73.558%0.58141%0.41SS*.PPolyproline II helixtrans-79.3138.3-176.7-68.9-173.6-81.4-144.90.4110.9L288L288-R290 PolarHBondContact O-N 2.74Å
291C72.9Confident58.9Low41 Ų4183.4 Ų83.428%0.27745%0.454SS..PPolyproline II helixtrans-102.7135.6166-91.90000109.3C334C291-C334 CarbonylContact C-O 3.38Å; C291-C334 VanDerWaalsContact CA-O 3.22Å; C291-C334 WeakPolarHBondContact CA-O 3.42Å; C291-C334 HydrophobicContact CB-CB 3.54Å; C291-C334 WeakPolarHBondContact CB-O 3.33Å; C291-C334 WeakPolarHBondContact CB-SG 3.31Å; C291-C334 VanDerWaalsContact SG-C 3.55Å; C291-C334 WeakPolarHBondContact SG-CB 3.16Å; C291-C334 PolarHBondContact SG-O 2.97Å; C291-C334 CovalentContact SG-SG 2.06Å; C291-C334 PolarHBondContact SG-SG 3.38Å
292G65.7Low56.2Low25 Ų2591.4 Ų91.426%0.25849%0.485SS..PPolyproline II helixtrans-61.6135.4166.200000109.7L294 C334G292-L294 PolarHBondContact O-N 2.88Å; G292-C334 PolarHBondContact N-O 2.94Å
293Q51.7Low53.1Low191 Ų191101.1 Ų101.189%0.89353%0.527SS*.  trans-68.4101.7161.7-68.8-172.2-25.200106.5S295Q293-S295 PolarHBondContact O-N 3.26Å
294L45.3Very low50.3Low129 Ų129106.6 Ų106.668%0.67556%0.563SS**  trans-63.2100.7153.6-85.7120000104.4G292 S296G292-L294 PolarHBondContact O-N 2.88Å; L294-S296 PolarHBondContact O-N 3.45Å
295S34.4Very low47.2Very low101 Ų101112.1 Ų112.171%0.70660%0.599SS**  trans-48.4100.3-178.842.30000110.2Q293 S297Q293-S295 PolarHBondContact O-N 3.26Å; S295-S297 PolarHBondContact O-N 3.23Å; S295-S297 VanDerWaalsContact O-N 3.1Å
296S28.4Very low44.3Very low122 Ų122117.9 Ų117.985%0.85364%0.638SS**  trans-76.973.7156.553.10000107.4L294L294-S296 PolarHBondContact O-N 3.45Å
297S28.5Very low41.9Very low104 Ų104121 Ų12173%0.72766%0.658SS**  trans-127.5114.8165.4-62.10000106.6S295 E299S295-S297 PolarHBondContact O-N 3.23Å; S295-S297 VanDerWaalsContact O-N 3.1Å; S297-E299 PolarHBondContact O-N 3.46Å
298S25.9Very low39.8Very low119 Ų119128.5 Ų128.583%0.83270%0.696SS**  trans-40.1127.9169-60.30000111.9
299E27.6Very low37.3Very low177 Ų177131.8 Ų131.883%0.82772%0.72SS**  173.9131.4129.6-94.9174.6-167.600110.9S297S297-E299 PolarHBondContact O-N 3.46Å
300H29.6Very low35.3Very low179 Ų179137.3 Ų137.383%0.82975%0.749SS**  trans45.591.8166.2-68.3-70.9000119.6K302H300-K302 PolarHBondContact O-N 3.47Å
301K25.7Very low33.4Very low217 Ų217138.8 Ų138.894%0.94376%0.76SS**  trans-55101160-73177.4176175.10111.3
302K23.7Very low31.1Very low198 Ų198146.5 Ų146.586%0.86179%0.789SS**PPolyproline II helixtrans-99.2125.4141.8-84.8-175.6177177.60107.9H300H300-K302 PolarHBondContact O-N 3.47Å
303K22Very low29.6Very low204 Ų204149.1 Ų149.189%0.88780%0.803SS**PPolyproline II helixtrans-54.7129.2176.8-87.8177.6169.4178.80109.8
304P28.2Very low29Very low130 Ų130146.3 Ų146.384%0.84480%0.799SS**PPolyproline II helixtrans-85.8120.2172.232.2-27.5000109.5
305T21.5Very low28.6Very low130 Ų130145 Ų14580%0.79880%0.801SS**PPolyproline II helixtrans-70.7142.6163.5-2.60000109.5I307T305-I307 PolarHBondContact O-N 2.87Å; T305-I307 VanDerWaalsContact O-N 3.11Å
306C23.7Very low29.1Very low135 Ų135144.3 Ų144.391%0.91279%0.788SS**  trans-52.2113.3170.6-75.20000110.9
307I26.6Very low29.5Very low140 Ų140143.1 Ų143.172%0.71878%0.778SS**  trans-138.6121.4154.1-60.3-178.6000105.8T305 S309T305-I307 PolarHBondContact O-N 2.87Å; T305-I307 VanDerWaalsContact O-N 3.11Å; I307-S309 PolarHBondContact O-N 3.34Å; I307-S309 PolarHBondContact O-OG 3.37Å; I307-S309 VanDerWaalsContact O-OG 3.13Å
308D28.9Very low30Very low167 Ų167144.5 Ų144.589%0.89378%0.777SS**  trans-45.499.4169.5-68.2-46.5000109.7
309S29.7Very low30.8Very low82 Ų82142.1 Ų142.157%0.57376%0.757SS**  trans-118.299.9175.836.10000106.8I307 F311I307-S309 PolarHBondContact O-N 3.34Å; I307-S309 PolarHBondContact O-OG 3.37Å; I307-S309 VanDerWaalsContact O-OG 3.13Å; S309-F311 VanDerWaalsContact C-N 3.3Å; S309-F311 WeakPolarHBondContact O-CD2 3.31Å; S309-F311 PolarHBondContact O-N 2.62Å
310V27.9Very low31.7Very low139 Ų139140.1 Ų140.184%0.84276%0.76SS**  trans-44.996.6161.5177.90000107.8K312V310-K312 PolarHBondContact O-N 2.87Å; V310-K312 VanDerWaalsContact O-N 3.11Å
311F33.5Very low33.2Very low184 Ų184138.9 Ų138.981%0.80775%0.754SS**  trans-64.9113.2169.8-92.2-91.6000106.6S309 S313S309-F311 VanDerWaalsContact C-N 3.3Å; S309-F311 WeakPolarHBondContact O-CD2 3.31Å; S309-F311 PolarHBondContact O-N 2.62Å; F311-S313 PolarHBondContact O-N 3.11Å
312K24.8Very low35.5Very low203 Ų203129.7 Ų129.788%0.88372%0.716SS**  trans-54.6106170.8-84.9178.3174.2177.30108.1V310 T314V310-K312 PolarHBondContact O-N 2.87Å; V310-K312 VanDerWaalsContact O-N 3.11Å; K312-T314 PolarHBondContact O-N 2.7Å
313S34.6Very low38.6Very low81 Ų81121 Ų12157%0.56668%0.68SS**  trans-56.1136.5164.955.80000107.8F311 S315F311-S313 PolarHBondContact O-N 3.11Å; S313-S315 PolarHBondContact O-N 3.09Å
314T38.9Very low41.9Very low132 Ų132117.7 Ų117.781%0.8166%0.662SS**  trans-61.390.2154.40.90000105.6K312 I316K312-T314 PolarHBondContact O-N 2.7Å; T314-I316 PolarHBondContact O-N 2.74Å
315S36.4Very low44.9Very low100 Ų100111.5 Ų111.570%0.69962%0.621SS**  trans-65.5104-176.146.90000108.6S313S313-S315 PolarHBondContact O-N 3.09Å
316I45.3Very low48.4Very low87 Ų87106.4 Ų106.445%0.44659%0.59SS.*  trans-66.2132.4154.7-58.3173.6000105T314 D318T314-I316 PolarHBondContact O-N 2.74Å; I316-D318 PolarHBondContact O-N 3.45Å
317P36.8Very low51.7Low97 Ų97100.1 Ų100.163%0.6355%0.547SS*.  trans-52133.5-177.6-24.831.4000112.2T319 N322P317-T319 PolarHBondContact O-N 3.21Å; P317-N322 PolarHBondContact O-ND2 3.14Å
318D38.8Very low54.9Low134 Ų13493.7 Ų93.772%0.71751%0.514SS*.  trans-63.594.3171.7-83.9-46.2000109.4I316 R324I316-D318 PolarHBondContact O-N 3.45Å; D318-R324 IonicContact OD1-NH2 3.42Å
319T41.8Very low58Low68 Ų6886.9 Ų86.942%0.41748%0.478SS..  trans-113.5138.7163.249.90000108.6P317 E321 N322P317-T319 PolarHBondContact O-N 3.21Å; T319-E321 PolarHBondContact O-N 3.21Å; T319-N322 WeakPolarHBondContact O-CB 3.44Å; T319-N322 PolarHBondContact O-N 3.24Å; T319-N322 VanDerWaalsContact O-N 3.1Å; T319-N322 PolarHBondContact OG1-ND2 2.96Å; T319-N322 PolarHBondContact OG1-OD1 3.47Å; T319-N322 VanDerWaalsContact OG1-OD1 3.05Å
320P47.7Very low61Low135 Ų13588.1 Ų88.188%0.87748%0.478SS*.THydrogen-bonded Turntrans-60.2-4.9-176.220.7-31.4000115.4
321E60.5Low64Low153 Ų15388.5 Ų88.572%0.71547%0.47SS*.THydrogen-bonded Turntrans-89.90.8177.1-62-176.9169.400113.9T319T319-E321 PolarHBondContact O-N 3.21Å
322N74.6Confident66.7Low25 Ų2584 Ų8413%0.13446%0.459CS..PPolyproline II helixtrans-89.5128-173-64.7-5.5000112.5R214 P317 T319 R324R214-N322 WeakPolarHBondContact CD-OD1 3.4Å; R214-N322 PolarHBondContact NE-OD1 3.11Å; R214-N322 VanDerWaalsContact NH1-CA 3.28Å; R214-N322 PolarHBondContact NH1-OD1 2.99Å; P317-N322 PolarHBondContact O-ND2 3.14Å; T319-N322 WeakPolarHBondContact O-CB 3.44Å; T319-N322 PolarHBondContact O-N 3.24Å; T319-N322 VanDerWaalsContact O-N 3.1Å; T319-N322 PolarHBondContact OG1-ND2 2.96Å; T319-N322 PolarHBondContact OG1-OD1 3.47Å; T319-N322 VanDerWaalsContact OG1-OD1 3.05Å; N322-R324 PolarHBondContact O-N 2.95Å
323C88Confident69.7Low16 Ų1674.8 Ų74.811%0.10842%0.42CS..PPolyproline II helixtrans-62120.4166.1-170.60000109.8A264 K265 P285 L288A264-C323 WeakPolarHBondContact O-CB 3.45Å; A264-C323 PolarHBondContact O-SG 2.94Å; K265-C323 CarbonylContact O-C 3.45Å; K265-C323 WeakPolarHBondContact O-CA 3.38Å; P285-C323 HydrophobicContact CB-CB 4.11Å; P285-C323 HydrophobicContact CG-CB 3.83Å; L288-C323 HydrophobicContact CD1-CB 4.27Å
324R91.2Very high72.2Confident134 Ų13471.9 Ų71.951%0.50640%0.399SS..EExtended strand (participates in β ladder)trans-87.2145175-72.7-174.9147.1172.9-3.1111.4K265 L266 I267 D318 N322 D340K265-R324 PolarHBondContact O-N 3.3Å; L266-R324 CarbonylContact C-O 3.57Å; L266-R324 WeakPolarHBondContact CA-O 3.36Å; L266-R324 HydrophobicContact CD1-CB 3.91Å; I267-R324 PolarHBondContact N-O 2.76Å; D318-R324 IonicContact OD1-NH2 3.42Å; N322-R324 PolarHBondContact O-N 2.95Å; R324-D340 VanDerWaalsContact CA-OD2 3.24Å; R324-D340 WeakPolarHBondContact CA-OD2 3.34Å
325L92.2Very high74.4Confident0 Ų065.8 Ų65.80%036%0.362CS..EExtended strand (participates in β ladder)trans-116.4119.3178.8176.157.5000110.8I267 V269 W284 L288 I327 V338 A339 D340 L341I267-L325 HydrophobicContact CB-CD1 4.38Å; I267-L325 HydrophobicContact CG2-CD1 4.1Å; I267-L325 WeakPolarHBondContact O-CA 3.44Å; V269-L325 HydrophobicContact CG2-CD1 3.59Å; W284-L325 HydrophobicContact CH2-CD1 4.39Å; W284-L325 HydrophobicContact CZ3-CD1 3.76Å; W284-L325 HydrophobicContact CZ3-CD2 4.23Å; L288-L325 HydrophobicContact CD1-CB 4.26Å; L288-L325 HydrophobicContact CD2-CB 4.12Å; L288-L325 HydrophobicContact CD2-CD2 4.23Å; L325-I327 HydrophobicContact CD1-CG1 4.29Å; L325-I327 HydrophobicContact CD2-CD1 4.43Å; L325-I327 HydrophobicContact CG-CG1 4.22Å; L325-V338 HydrophobicContact CD2-CG2 4.08Å; L325-A339 HydrophobicContact CD2-CB 4.13Å; L325-A339 HydrophobicContact CG-CB 3.99Å; L325-D340 PolarHBondContact N-OD2 2.97Å; L325-D340 PolarHBondContact O-N 2.9Å; L325-L341 PolarHBondContact O-N 3.41Å
326V94.4Very high77Confident23 Ų2362.3 Ų62.314%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-110.5129.8170.7-178.60000108.8L266 I267 V268 V269 I328 L341 I343L266-V326 HydrophobicContact CD1-CG2 3.78Å; I267-V326 PolarHBondContact O-N 3.35Å; V268-V326 WeakPolarHBondContact CA-O 3.5Å; V268-V326 HydrophobicContact CG2-CB 4.34Å; V269-V326 PolarHBondContact N-O 2.77Å; V326-I328 HydrophobicContact CG1-CG1 4.35Å; V326-L341 CarbonylContact C-O 3.45Å; V326-L341 WeakPolarHBondContact CA-O 3.42Å; V326-L341 HydrophobicContact CG1-CB 4.31Å; V326-L341 HydrophobicContact CG1-CD2 4.23Å; V326-L341 HydrophobicContact CG1-CG 4.37Å; V326-L341 HydrophobicContact CG2-CB 4.2Å; V326-I343 HydrophobicContact CG1-CD1 4.42Å
327I93.6Very high79.1Confident2 Ų262.3 Ų62.31%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-112.5123.1174.7-61.8179.9000109.1V269 L274 L325 N329 K335 A339 L341 V342 I343V269-I327 HydrophobicContact CB-CG1 4.35Å; L274-I327 HydrophobicContact CD1-CD1 4.03Å; L325-I327 HydrophobicContact CD1-CG1 4.29Å; L325-I327 HydrophobicContact CD2-CD1 4.43Å; L325-I327 HydrophobicContact CG-CG1 4.22Å; I327-N329 HydrophobicContact CG2-CB 4.18Å; I327-K335 HydrophobicContact CD1-CB 3.7Å; I327-A339 HydrophobicContact CB-CB 4.48Å; I327-A339 HydrophobicContact CD1-CB 3.68Å; I327-A339 HydrophobicContact CG1-CB 3.82Å; I327-L341 PolarHBondContact N-O 3.45Å; I327-V342 HydrophobicContact CB-CG2 4.47Å; I327-V342 CarbonylContact O-C 3.57Å; I327-V342 WeakPolarHBondContact O-CA 3.32Å; I327-I343 PolarHBondContact O-N 3.28Å
328I94.3Very high81.5Confident5 Ų559.5 Ų59.53%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-110.8102.9172.8-59.8160.3000106.7V268 V269 V270 G271 V326 I343 L350V268-I328 HydrophobicContact CG1-CD1 3.52Å; V268-I328 HydrophobicContact CG1-CG1 4.39Å; V269-I328 PolarHBondContact O-N 2.99Å; V270-I328 WeakPolarHBondContact CA-O 3.42Å; V270-I328 HydrophobicContact CG2-CD1 4.2Å; G271-I328 PolarHBondContact N-O 2.98Å; V326-I328 HydrophobicContact CG1-CG1 4.35Å; I328-I343 HydrophobicContact CG1-CB 4.47Å; I328-I343 HydrophobicContact CG1-CD1 4.47Å; I328-L350 HydrophobicContact CB-CD2 4.18Å; I328-L350 HydrophobicContact CD1-CD2 3.45Å; I328-L350 VanDerWaalsContact CD1-CD2 3.45Å; I328-L350 HydrophobicContact CG1-CD2 3.56Å; I328-L350 HydrophobicContact CG2-CD2 3.51Å
329N92.9Very high84Confident24 Ų2453.8 Ų53.813%0.12829%0.292CS..  trans-156.5142.3177.1-163.730.5000111I327 Q331 T333 I343 R344I327-N329 HydrophobicContact CG2-CB 4.18Å; N329-Q331 PolarHBondContact ND2-O 2.71Å; N329-T333 HydrophobicContact CB-CG2 4.31Å; N329-T333 VanDerWaalsContact ND2-CG2 3.3Å; N329-T333 WeakPolarHBondContact ND2-CG2 3.44Å; N329-I343 PolarHBondContact N-O 3.44Å; N329-I343 VanDerWaalsContact N-O 3.08Å; N329-R344 WeakPolarHBondContact O-CA 3.49Å
330L92.7Very high86.5Confident109 Ų10955 Ų5557%0.57130%0.296SS*.SBendtrans-64-43.7176.3-69174.6000111.5V345 P346L330-V345 VanDerWaalsContact CD2-C 3.41Å; L330-P346 HydrophobicContact CD2-CG 4.25Å
331Q91.1Very high88.8Confident146 Ų14653 Ų5368%0.68228%0.277SS*.SBendtrans-98.4148.3-175.6-66.9-179.5-18.900112N329N329-Q331 PolarHBondContact ND2-O 2.71Å
332P90.6Very high90.4Very high90 Ų9047.7 Ų47.758%0.58426%0.255SS*.  trans-55.6145.7171.5-24.634.2000112.8D336P332-D336 WeakPolarHBondContact CA-OD2 3.43Å
333T88.3Confident91.4Very high10 Ų1048.7 Ų48.76%0.06126%0.26CS..  trans-126.7164.617880.20000111.5L274 N329 K335 D336L274-T333 HydrophobicContact CD1-CG2 4.38Å; L274-T333 WeakPolarHBondContact CD1-OG1 3.29Å; L274-T333 HydrophobicContact CG-CG2 4.27Å; N329-T333 HydrophobicContact CB-CG2 4.31Å; N329-T333 VanDerWaalsContact ND2-CG2 3.3Å; N329-T333 WeakPolarHBondContact ND2-CG2 3.44Å; T333-K335 PolarHBondContact O-N 3.15Å; T333-K335 VanDerWaalsContact O-N 3.13Å; T333-K335 PolarHBondContact OG1-N 3.17Å; T333-D336 WeakPolarHBondContact CA-OD1 3.29Å; T333-D336 WeakPolarHBondContact CB-OD1 3.47Å; T333-D336 PolarHBondContact N-OD1 3.04Å; T333-D336 PolarHBondContact N-OD2 3.35Å; T333-D336 PolarHBondContact O-N 3.41Å; T333-D336 PolarHBondContact OG1-OD1 3.22Å
334C85.6Confident91.8Very high19 Ų1953.8 Ų53.813%0.12828%0.277CS..THydrogen-bonded Turntrans-69.5-6.1177.370.40000114.5C291 G292C291-C334 CarbonylContact C-O 3.38Å; C291-C334 VanDerWaalsContact CA-O 3.22Å; C291-C334 WeakPolarHBondContact CA-O 3.42Å; C291-C334 HydrophobicContact CB-CB 3.54Å; C291-C334 WeakPolarHBondContact CB-O 3.33Å; C291-C334 WeakPolarHBondContact CB-SG 3.31Å; C291-C334 VanDerWaalsContact SG-C 3.55Å; C291-C334 WeakPolarHBondContact SG-CB 3.16Å; C291-C334 PolarHBondContact SG-O 2.97Å; C291-C334 CovalentContact SG-SG 2.06Å; C291-C334 PolarHBondContact SG-SG 3.38Å; G292-C334 PolarHBondContact N-O 2.94Å
335K86.6Confident91.9Very high4 Ų449.6 Ų49.62%0.01727%0.266CS..THydrogen-bonded Turntrans-103.70.9175.6-63.9-160.4170.963.60114.2L274 W284 L288 I327 T333 V337 V338 A339L274-K335 HydrophobicContact CB-CG 4.5Å; L274-K335 HydrophobicContact CD1-CB 3.66Å; L274-K335 HydrophobicContact CD1-CD 3.95Å; L274-K335 HydrophobicContact CD1-CG 3.8Å; W284-K335 HydrophobicContact CH2-CD 4.21Å; W284-K335 HydrophobicContact CZ2-CD 4.28Å; W284-K335 HydrophobicContact CZ3-CD 4.32Å; L288-K335 WeakPolarHBondContact O-CE 3.46Å; I327-K335 HydrophobicContact CD1-CB 3.7Å; T333-K335 PolarHBondContact O-N 3.15Å; T333-K335 VanDerWaalsContact O-N 3.13Å; T333-K335 PolarHBondContact OG1-N 3.17Å; K335-V337 PolarHBondContact O-N 2.98Å; K335-V337 VanDerWaalsContact O-N 3.1Å; K335-V338 HydrophobicContact CB-CG2 3.84Å; K335-V338 HydrophobicContact CD-CG2 4.49Å; K335-V338 HydrophobicContact CG-CG2 4.27Å; K335-V338 WeakPolarHBondContact O-CG2 3.41Å; K335-V338 PolarHBondContact O-N 2.71Å; K335-A339 PolarHBondContact O-N 2.84Å; K335-A339 VanDerWaalsContact O-N 3.17Å
336D90.6Very high92Very high27 Ų2752.1 Ų52.114%0.14428%0.283CS..G310 helixtrans-53.9-36178.6-70.222.2000111.5P332 T333 V338 A339 V342 R344P332-D336 WeakPolarHBondContact CA-OD2 3.43Å; T333-D336 WeakPolarHBondContact CA-OD1 3.29Å; T333-D336 WeakPolarHBondContact CB-OD1 3.47Å; T333-D336 PolarHBondContact N-OD1 3.04Å; T333-D336 PolarHBondContact N-OD2 3.35Å; T333-D336 PolarHBondContact O-N 3.41Å; T333-D336 PolarHBondContact OG1-OD1 3.22Å; D336-V338 VanDerWaalsContact C-N 3.3Å; D336-V338 PolarHBondContact O-N 3.46Å; D336-A339 PolarHBondContact O-N 2.8Å; D336-V342 HydrophobicContact CB-CG2 4.22Å; D336-R344 IonicContact OD2-CZ 2.78Å; D336-R344 IonicContact OD2-NH1 2.66Å; D336-R344 PolarHBondContact OD2-NH1 3.5Å; D336-R344 IonicContact OD2-NH2 3.58Å; D336-R344 PolarHBondContact OD2-NH2 3.4Å
337V89.3Confident91.9Very high87 Ų8752.7 Ų52.753%0.52729%0.287SS..G310 helixtrans-72.6-15.9-179.1-56.30000115K335K335-V337 PolarHBondContact O-N 2.98Å; K335-V337 VanDerWaalsContact O-N 3.1Å
338V87.5Confident91.9Very high38 Ų3859.3 Ų59.323%0.2332%0.322CS..G310 helixtrans-110.2-2.5177.8-60.90000112.7L325 K335 D336L325-V338 HydrophobicContact CD2-CG2 4.08Å; K335-V338 HydrophobicContact CB-CG2 3.84Å; K335-V338 HydrophobicContact CD-CG2 4.49Å; K335-V338 HydrophobicContact CG-CG2 4.27Å; K335-V338 WeakPolarHBondContact O-CG2 3.41Å; K335-V338 PolarHBondContact O-N 2.71Å; D336-V338 VanDerWaalsContact C-N 3.3Å; D336-V338 PolarHBondContact O-N 3.46Å
339A90.8Very high91.8Very high14 Ų1464.6 Ų64.612%0.11635%0.347CS..  trans-82.4142.5177.100000111L325 I327 K335 D336 V342L325-A339 HydrophobicContact CD2-CB 4.13Å; L325-A339 HydrophobicContact CG-CB 3.99Å; I327-A339 HydrophobicContact CB-CB 4.48Å; I327-A339 HydrophobicContact CD1-CB 3.68Å; I327-A339 HydrophobicContact CG1-CB 3.82Å; K335-A339 PolarHBondContact O-N 2.84Å; K335-A339 VanDerWaalsContact O-N 3.17Å; D336-A339 PolarHBondContact O-N 2.8Å; A339-V342 HydrophobicContact CB-CG2 3.82Å
340D93.6Very high92Very high95 Ų9564.6 Ų64.651%0.50835%0.347SS..SBendtrans-75.1-30.3172.7-59-84.9000111.3R324 L325R324-D340 VanDerWaalsContact CA-OD2 3.24Å; R324-D340 WeakPolarHBondContact CA-OD2 3.34Å; L325-D340 PolarHBondContact N-OD2 2.97Å; L325-D340 PolarHBondContact O-N 2.9Å
341L95.6Very high92.2Very high91 Ų9160.6 Ų60.648%0.47633%0.325SS..EExtended strand (participates in β ladder)trans-144.4132.4177.5-179.562.1000111L325 V326 I327 I343L325-L341 PolarHBondContact O-N 3.41Å; V326-L341 CarbonylContact C-O 3.45Å; V326-L341 WeakPolarHBondContact CA-O 3.42Å; V326-L341 HydrophobicContact CG1-CB 4.31Å; V326-L341 HydrophobicContact CG1-CD2 4.23Å; V326-L341 HydrophobicContact CG1-CG 4.37Å; V326-L341 HydrophobicContact CG2-CB 4.2Å; I327-L341 PolarHBondContact N-O 3.45Å; L341-I343 HydrophobicContact CD1-CG1 4.4Å; L341-I343 HydrophobicContact CD2-CD1 3.94Å; L341-I343 HydrophobicContact CD2-CG1 4.07Å; L341-I343 HydrophobicContact CG-CD1 4.34Å; L341-I343 HydrophobicContact CG-CG1 3.91Å
342V95.4Very high92.4Very high43 Ų4360.7 Ų60.726%0.26132%0.319SS..EExtended strand (participates in β ladder)trans-120.6120.1174.1-177.20000108.8I327 D336 A339 R344I327-V342 HydrophobicContact CB-CG2 4.47Å; I327-V342 CarbonylContact O-C 3.57Å; I327-V342 WeakPolarHBondContact O-CA 3.32Å; D336-V342 HydrophobicContact CB-CG2 4.22Å; A339-V342 HydrophobicContact CB-CG2 3.82Å; V342-R344 HydrophobicContact CG1-CG 4.39Å
343I95.8Very high92.7Very high45 Ų4558.6 Ų58.623%0.23130%0.304CS..EExtended strand (participates in β ladder)trans-113.1123.9179.8-47.3-178.8000109V326 I327 I328 N329 L341 V345 L350V326-I343 HydrophobicContact CG1-CD1 4.42Å; I327-I343 PolarHBondContact O-N 3.28Å; I328-I343 HydrophobicContact CG1-CB 4.47Å; I328-I343 HydrophobicContact CG1-CD1 4.47Å; N329-I343 PolarHBondContact N-O 3.44Å; N329-I343 VanDerWaalsContact N-O 3.08Å; L341-I343 HydrophobicContact CD1-CG1 4.4Å; L341-I343 HydrophobicContact CD2-CD1 3.94Å; L341-I343 HydrophobicContact CD2-CG1 4.07Å; L341-I343 HydrophobicContact CG-CD1 4.34Å; L341-I343 HydrophobicContact CG-CG1 3.91Å; I343-V345 HydrophobicContact CG2-CB 4.5Å; I343-V345 HydrophobicContact CG2-CG1 4.17Å; I343-V345 HydrophobicContact CG2-CG2 3.65Å; I343-L350 HydrophobicContact CD1-CD1 4.37Å; I343-L350 HydrophobicContact CD1-CD2 4.26Å; I343-L350 HydrophobicContact CG2-CD1 4.37Å; I343-L350 HydrophobicContact CG2-CD2 4.37Å
344R95.2Very high93.1Very high123 Ų12360.4 Ų60.446%0.46431%0.314SS..  trans-108.267.9-175.1-58.7-167.8-170.8-68.1-1.7112.3N329 D336 V342N329-R344 WeakPolarHBondContact O-CA 3.49Å; D336-R344 IonicContact OD2-CZ 2.78Å; D336-R344 IonicContact OD2-NH1 2.66Å; D336-R344 PolarHBondContact OD2-NH1 3.5Å; D336-R344 IonicContact OD2-NH2 3.58Å; D336-R344 PolarHBondContact OD2-NH2 3.4Å; V342-R344 HydrophobicContact CG1-CG 4.39Å
345V93.5Very high93.7Very high46 Ų4659.6 Ų59.628%0.27931%0.308SS..SBendtrans-138.3159.4-177.5-59.40000111L330 I343 C347 L350L330-V345 VanDerWaalsContact CD2-C 3.41Å; I343-V345 HydrophobicContact CG2-CB 4.5Å; I343-V345 HydrophobicContact CG2-CG1 4.17Å; I343-V345 HydrophobicContact CG2-CG2 3.65Å; V345-C347 PolarHBondContact O-N 3.08Å; V345-L350 HydrophobicContact CG2-CB 3.67Å; V345-L350 HydrophobicContact CG2-CD1 4.23Å; V345-L350 HydrophobicContact CG2-CD2 4.13Å; V345-L350 HydrophobicContact CG2-CG 4.23Å
346P94.4Very high94.2Very high54 Ų5461.9 Ų61.935%0.35132%0.324SS..  trans-56134.4168.5-23.935.1000110.8L330 D348 E349 L350L330-P346 HydrophobicContact CD2-CG 4.25Å; P346-D348 VanDerWaalsContact C-N 3.3Å; P346-D348 PolarHBondContact O-N 3.04Å; P346-E349 HydrophobicContact CB-CB 4.39Å; P346-E349 HydrophobicContact CB-CG 4.18Å; P346-E349 WeakPolarHBondContact CD-OE2 3Å; P346-E349 HydrophobicContact CG-CG 4.47Å; P346-E349 PolarHBondContact O-N 3.12Å; P346-L350 PolarHBondContact O-N 2.9Å
347C92.4Very high94.4Very high34 Ų3465.2 Ų65.223%0.2334%0.342CS..Hα-helixtrans-62.5-38.7-174-640000111.9V270 V345 L350 F351V270-C347 HydrophobicContact CG1-CB 4.11Å; V270-C347 WeakPolarHBondContact CG1-SG 3.07Å; V345-C347 PolarHBondContact O-N 3.08Å; C347-L350 PolarHBondContact O-N 2.88Å; C347-F351 HydrophobicContact CB-CD2 4.45Å; C347-F351 WeakPolarHBondContact O-CD2 3.33Å; C347-F351 PolarHBondContact O-N 3.11Å
348D92.7Very high94.8Very high141 Ų14167.8 Ų67.875%0.75435%0.348SS*.Hα-helixtrans-65.3-40.9-179.3-65.3-24.1000112.1P346 R352P346-D348 VanDerWaalsContact C-N 3.3Å; P346-D348 PolarHBondContact O-N 3.04Å; D348-R352 VanDerWaalsContact O-CB 3.3Å; D348-R352 WeakPolarHBondContact O-CB 3.25Å; D348-R352 PolarHBondContact O-N 3.21Å
349E94.1Very high95.3Very high116 Ų11668.2 Ų68.254%0.54235%0.349SS..Hα-helixtrans-64.4-43176.3-68.8179.1177.400111.5P346 R352 V353P346-E349 HydrophobicContact CB-CB 4.39Å; P346-E349 HydrophobicContact CB-CG 4.18Å; P346-E349 WeakPolarHBondContact CD-OE2 3Å; P346-E349 HydrophobicContact CG-CG 4.47Å; P346-E349 PolarHBondContact O-N 3.12Å; E349-R352 WeakPolarHBondContact O-CB 3.45Å; E349-R352 PolarHBondContact O-N 2.9Å; E349-V353 WeakPolarHBondContact O-CG2 3.35Å; E349-V353 PolarHBondContact O-N 2.8Å; E349-V353 VanDerWaalsContact O-N 3.1Å
350L95.8Very high95.6Very high25 Ų2575.7 Ų75.713%0.13138%0.381CS..Hα-helixtrans-63.4-50.4177.5-178.264.3000111.8I328 I343 V345 P346 C347 R352 V353 I354I328-L350 HydrophobicContact CB-CD2 4.18Å; I328-L350 HydrophobicContact CD1-CD2 3.45Å; I328-L350 VanDerWaalsContact CD1-CD2 3.45Å; I328-L350 HydrophobicContact CG1-CD2 3.56Å; I328-L350 HydrophobicContact CG2-CD2 3.51Å; I343-L350 HydrophobicContact CD1-CD1 4.37Å; I343-L350 HydrophobicContact CD1-CD2 4.26Å; I343-L350 HydrophobicContact CG2-CD1 4.37Å; I343-L350 HydrophobicContact CG2-CD2 4.37Å; V345-L350 HydrophobicContact CG2-CB 3.67Å; V345-L350 HydrophobicContact CG2-CD1 4.23Å; V345-L350 HydrophobicContact CG2-CD2 4.13Å; V345-L350 HydrophobicContact CG2-CG 4.23Å; P346-L350 PolarHBondContact O-N 2.9Å; C347-L350 PolarHBondContact O-N 2.88Å; L350-R352 VanDerWaalsContact C-N 3.26Å; L350-R352 PolarHBondContact O-N 2.99Å; L350-V353 PolarHBondContact O-N 3.31Å; L350-I354 HydrophobicContact CD1-CD1 3.99Å; L350-I354 HydrophobicContact CD1-CG1 4.33Å; L350-I354 HydrophobicContact CD2-CD1 4.38Å; L350-I354 HydrophobicContact CG-CD1 3.78Å; L350-I354 HydrophobicContact CG-CG1 4.44Å; L350-I354 WeakPolarHBondContact O-CG1 3.5Å; L350-I354 PolarHBondContact O-N 3.01Å
351F96.3Very high95.8Very high25 Ų2572.4 Ų72.411%0.1136%0.363CS..Hα-helixtrans-64.9-33.7178.7-81.2-66.6000111.2A2 I3 L6 V270 C347 I354 M355A2-F351 HydrophobicContact CB-CB 3.83Å; A2-F351 HydrophobicContact CB-CD1 4.03Å; A2-F351 HydrophobicContact CB-CG 4Å; I3-F351 HydrophobicContact CD1-CE2 4.48Å; I3-F351 HydrophobicContact CD1-CZ 4.39Å; I3-F351 HydrophobicContact CG1-CE1 4.38Å; I3-F351 HydrophobicContact CG1-CE2 4.36Å; I3-F351 HydrophobicContact CG1-CZ 3.98Å; L6-F351 HydrophobicContact CD1-CD1 4.18Å; L6-F351 HydrophobicContact CD1-CE1 3.77Å; V270-F351 HydrophobicContact CG1-CE2 4.27Å; V270-F351 HydrophobicContact CG2-CE2 4.24Å; V270-F351 HydrophobicContact CG2-CZ 4.15Å; C347-F351 HydrophobicContact CB-CD2 4.45Å; C347-F351 WeakPolarHBondContact O-CD2 3.33Å; C347-F351 PolarHBondContact O-N 3.11Å; F351-I354 PolarHBondContact O-N 3.25Å; F351-M355 WeakPolarHBondContact O-CB 3.33Å; F351-M355 WeakPolarHBondContact O-CG 3.26Å; F351-M355 PolarHBondContact O-N 3.39Å
352R95.8Very high95.8Very high147 Ų14775.2 Ų75.256%0.55538%0.379SS*.Hα-helixtrans-56.8-54.4172.1-170.8-169.964.1690.9110.6D348 E349 L350 I354 M355 S356D348-R352 VanDerWaalsContact O-CB 3.3Å; D348-R352 WeakPolarHBondContact O-CB 3.25Å; D348-R352 PolarHBondContact O-N 3.21Å; E349-R352 WeakPolarHBondContact O-CB 3.45Å; E349-R352 PolarHBondContact O-N 2.9Å; L350-R352 VanDerWaalsContact C-N 3.26Å; L350-R352 PolarHBondContact O-N 2.99Å; R352-I354 PolarHBondContact O-N 3.43Å; R352-M355 PolarHBondContact O-N 3.42Å; R352-S356 PolarHBondContact O-N 2.88Å; R352-S356 PolarHBondContact O-OG 2.84Å
353V96.9Very high95.9Very high46 Ų4675.9 Ų75.928%0.27938%0.383SS..Hα-helixtrans-61.3-44.8-179.9172.80000111.9E349 L350 M355 D357 H358E349-V353 WeakPolarHBondContact O-CG2 3.35Å; E349-V353 PolarHBondContact O-N 2.8Å; E349-V353 VanDerWaalsContact O-N 3.1Å; L350-V353 PolarHBondContact O-N 3.31Å; V353-M355 VanDerWaalsContact C-N 3.35Å; V353-M355 PolarHBondContact O-N 3.49Å; V353-D357 HydrophobicContact CG1-CB 4.3Å; V353-D357 WeakPolarHBondContact O-CA 3.47Å; V353-D357 VanDerWaalsContact O-CB 3.27Å; V353-D357 WeakPolarHBondContact O-CB 3.17Å; V353-D357 PolarHBondContact O-N 2.95Å; V353-H358 PolarHBondContact O-N 3.17Å
354I96.9Very high95.8Very high49 Ų4977.1 Ų77.125%0.25139%0.394SS..Iπ-helixtrans-60.4-47.4177.8-69.1171.6000110.7L350 F351 R352 H358 L359L350-I354 HydrophobicContact CD1-CD1 3.99Å; L350-I354 HydrophobicContact CD1-CG1 4.33Å; L350-I354 HydrophobicContact CD2-CD1 4.38Å; L350-I354 HydrophobicContact CG-CD1 3.78Å; L350-I354 HydrophobicContact CG-CG1 4.44Å; L350-I354 WeakPolarHBondContact O-CG1 3.5Å; L350-I354 PolarHBondContact O-N 3.01Å; F351-I354 PolarHBondContact O-N 3.25Å; R352-I354 PolarHBondContact O-N 3.43Å; I354-H358 WeakPolarHBondContact O-CB 3.37Å; I354-H358 PolarHBondContact O-N 3.08Å; I354-L359 HydrophobicContact CG2-CD1 3.91Å; I354-L359 HydrophobicContact CG2-CG 4.17Å; I354-L359 WeakPolarHBondContact O-CG 3.45Å; I354-L359 PolarHBondContact O-N 3.05Å
355M97.9Very high95.7Very high2 Ų279.9 Ų79.91%0.0141%0.412CS..Iπ-helixtrans-72.1-46.1-174.4-63.5-62.6-66.700111.5A2 V5 L6 F351 R352 V353 L359 E360 I361 V363A2-M355 HydrophobicContact CB-CG 4.05Å; V5-M355 HydrophobicContact CB-CE 3.94Å; V5-M355 HydrophobicContact CG1-CE 3.62Å; L6-M355 HydrophobicContact CD1-SD 4.26Å; L6-M355 HydrophobicContact CD2-CE 4.39Å; L6-M355 HydrophobicContact CD2-SD 3.64Å; L6-M355 HydrophobicContact CG-CE 4.39Å; L6-M355 HydrophobicContact CG-SD 3.77Å; F351-M355 WeakPolarHBondContact O-CB 3.33Å; F351-M355 WeakPolarHBondContact O-CG 3.26Å; F351-M355 PolarHBondContact O-N 3.39Å; R352-M355 PolarHBondContact O-N 3.42Å; V353-M355 VanDerWaalsContact C-N 3.35Å; V353-M355 PolarHBondContact O-N 3.49Å; M355-L359 HydrophobicContact SD-CD1 4.06Å; M355-E360 WeakPolarHBondContact O-CA 3.17Å; M355-E360 PolarHBondContact O-N 2.97Å; M355-I361 HydrophobicContact CE-CB 3.83Å; M355-I361 HydrophobicContact CE-CG2 3.63Å; M355-I361 PolarHBondContact O-N 2.96Å; M355-V363 HydrophobicContact CB-CG2 3.72Å; M355-V363 HydrophobicContact CE-CG2 3.56Å; M355-V363 HydrophobicContact CG-CG2 3.62Å; M355-V363 HydrophobicContact SD-CG2 4.39Å
356S96.9Very high95.7Very high52 Ų5281.4 Ų81.436%0.36441%0.413SS..Iπ-helixtrans-80.5-45.7-17861.30000113.8R352R352-S356 PolarHBondContact O-N 2.88Å; R352-S356 PolarHBondContact O-OG 2.84Å
357D96.6Very high95.6Very high97 Ų9780.5 Ų80.552%0.51941%0.406SS..Iπ-helixtrans-96.6-19.4-164.2-51.9-5.2000112.5V353V353-D357 HydrophobicContact CG1-CB 4.3Å; V353-D357 WeakPolarHBondContact O-CA 3.47Å; V353-D357 VanDerWaalsContact O-CB 3.27Å; V353-D357 WeakPolarHBondContact O-CB 3.17Å; V353-D357 PolarHBondContact O-N 2.95Å
358H96.6Very high95.4Very high140 Ų14081.4 Ų81.465%0.64841%0.407SS*.Iπ-helixtrans-117.5-37-177-67.7-55.6000114.4V353 I354V353-H358 PolarHBondContact O-N 3.17Å; I354-H358 WeakPolarHBondContact O-CB 3.37Å; I354-H358 PolarHBondContact O-N 3.08Å
359L97.3Very high95.3Very high47 Ų4783.6 Ų83.625%0.24640%0.404CS..SBendtrans-101.1-17.3179.6-62.1-175.8000113.1L6 Y11 I354 M355 I361L6-L359 HydrophobicContact CD2-CD1 3.55Å; Y11-L359 HydrophobicContact CE1-CD1 4.49Å; Y11-L359 HydrophobicContact CE1-CD2 3.77Å; Y11-L359 HydrophobicContact CE2-CD1 4.44Å; I354-L359 HydrophobicContact CG2-CD1 3.91Å; I354-L359 HydrophobicContact CG2-CG 4.17Å; I354-L359 WeakPolarHBondContact O-CG 3.45Å; I354-L359 PolarHBondContact O-N 3.05Å; M355-L359 HydrophobicContact SD-CD1 4.06Å; L359-I361 HydrophobicContact CB-CB 4.47Å; L359-I361 HydrophobicContact CB-CD1 4.05Å; L359-I361 HydrophobicContact CB-CG1 4.19Å; L359-I361 HydrophobicContact CD1-CD1 4.5Å; L359-I361 PolarHBondContact O-N 2.77Å
360E97.5Very high95.2Very high171 Ų17184.9 Ų84.980%0.79941%0.41SS*.  trans52.837.5-175-58.1179.1-170.900112.3M355M355-E360 WeakPolarHBondContact O-CA 3.17Å; M355-E360 PolarHBondContact O-N 2.97Å
361I97.5Very high95.1Very high26 Ų2683.9 Ų83.913%0.13341%0.405CS..  trans-110.2121.8179-65.5168.2000110.1V5 E9 Y11 M355 L359V5-I361 HydrophobicContact CG1-CG2 3.44Å; V5-I361 VanDerWaalsContact CG1-CG2 3.44Å; E9-I361 HydrophobicContact CB-CD1 4.2Å; E9-I361 HydrophobicContact CG-CD1 3.85Å; E9-I361 HydrophobicContact CG-CG2 4.35Å; Y11-I361 HydrophobicContact CD2-CD1 4.29Å; Y11-I361 HydrophobicContact CE2-CD1 3.53Å; M355-I361 HydrophobicContact CE-CB 3.83Å; M355-I361 HydrophobicContact CE-CG2 3.63Å; M355-I361 PolarHBondContact O-N 2.96Å; L359-I361 HydrophobicContact CB-CB 4.47Å; L359-I361 HydrophobicContact CB-CD1 4.05Å; L359-I361 HydrophobicContact CB-CG1 4.19Å; L359-I361 HydrophobicContact CD1-CD1 4.5Å; L359-I361 PolarHBondContact O-N 2.77Å
362D96.1Very high95Very high151 Ų15184.6 Ų84.681%0.80741%0.412SS*.  trans-68.4132.2173.7-74.4-28.5000111.9
363V96.8Very high94.9Very high56 Ų5677.7 Ų77.734%0.33939%0.386SS..  trans-101.1112.1174.7-178.30000109M1 A2 V5 M355M1-V363 HydrophobicContact CB-CG1 3.49Å; M1-V363 VanDerWaalsContact CB-CG1 3.49Å; A2-V363 HydrophobicContact CB-CG1 4.3Å; A2-V363 HydrophobicContact CB-CG2 4.11Å; V5-V363 HydrophobicContact CG2-CG1 4.4Å; M355-V363 HydrophobicContact CB-CG2 3.72Å; M355-V363 HydrophobicContact CE-CG2 3.56Å; M355-V363 HydrophobicContact CG-CG2 3.62Å; M355-V363 HydrophobicContact SD-CG2 4.39Å
364P94.2Very high94.7Very high71 Ų7177.3 Ų77.346%0.46138%0.379SS..PPolyproline II helixtrans-64.6147.1176.127.9-33.4000110.1M1 V5M1-P364 WeakPolarHBondContact CB-O 3.24Å; M1-P364 HydrophobicContact CE-CG 4.16Å; M1-P364 VanDerWaalsContact CG-O 3.25Å; M1-P364 WeakPolarHBondContact CG-O 3.39Å; V5-P364 HydrophobicContact CG2-CG 4.43Å
365Q93.9Very high94.5Very high181 Ų18179.8 Ų79.885%0.84640%0.401SS*.PPolyproline II helixtrans-65.5150.8169-68.8-170.8-16.700110.1D367Q365-D367 PolarHBondContact O-N 3.42Å
366Y93.1Very high94.2Very high78 Ų7883.4 Ų83.431%0.30642%0.42SS..PPolyproline II helixtrans-64.3128.7173166.8-96.7000109.2M1 R26 H368 D371M1-Y366 HydrophobicContact SD-CD2 4.37Å; R26-Y366 PolarHBondContact NH2-OH 3.04Å; Y366-H368 HydrophobicContact CE1-CB 4.07Å; Y366-D371 HydrophobicContact CE2-CB 4.26Å; Y366-D371 PolarHBondContact OH-OD2 3.38Å
367D91.8Very high94.2Very high36 Ų3681.8 Ų81.819%0.19341%0.411CS..  trans-120.1113.3175.5-177.1-3.7000109.2Q365 R369 H370 D371Q365-D367 PolarHBondContact O-N 3.42Å; D367-R369 PolarHBondContact O-N 3.41Å; D367-R369 VanDerWaalsContact O-N 3.14Å; D367-R369 WeakPolarHBondContact OD1-CB 3.49Å; D367-R369 WeakPolarHBondContact OD1-CG 3.4Å; D367-R369 IonicContact OD1-CZ 3.82Å; D367-R369 PolarHBondContact OD1-N 2.89Å; D367-R369 IonicContact OD1-NE 3.11Å; D367-R369 PolarHBondContact OD1-NE 3.46Å; D367-R369 IonicContact OD1-NH2 3.47Å; D367-R369 IonicContact OD2-CZ 3.24Å; D367-R369 VanDerWaalsContact OD2-CZ 3.28Å; D367-R369 IonicContact OD2-NE 3.53Å; D367-R369 PolarHBondContact OD2-NE 3.37Å; D367-R369 IonicContact OD2-NH2 2.84Å; D367-R369 PolarHBondContact OD2-NH2 3.41Å; D367-H370 PolarHBondContact O-N 3.01Å; D367-H370 IonicContact OD2-CE1 3.86Å; D367-H370 PolarHBondContact OD2-CE1 2.87Å; D367-H370 IonicContact OD2-ND1 3.82Å; D367-H370 PolarHBondContact OD2-ND1 2.91Å; D367-D371 PolarHBondContact O-N 3.42Å
368H89.2Confident94.2Very high53 Ų5380.8 Ų80.825%0.24541%0.405CS..G310 helixtrans-58.8-25.7-179.866.2-93.9000113.3Y366 H370 D371 Y374 F395Y366-H368 HydrophobicContact CE1-CB 4.07Å; H368-H370 PolarHBondContact O-N 3.25Å; H368-D371 WeakPolarHBondContact O-CB 3.46Å; H368-D371 PolarHBondContact O-N 2.96Å; H368-D371 VanDerWaalsContact O-N 3.14Å; H368-Y374 HydrophobicContact CB-CE2 4.37Å; H368-Y374 WeakPolarHBondContact O-CD2 3.31Å; H368-Y374 WeakPolarHBondContact O-CE2 3.22Å; H368-F395 WeakPolarHBondContact CB-O 3.49Å; H368-F395 PolarHBondContact CD2-O 3.2Å
369R90.1Very high94.1Very high187 Ų18778 Ų7871%0.70640%0.401SS*.G310 helixtrans-65.8-21176.8-60.1173.3-661793.9112.1D367D367-R369 PolarHBondContact O-N 3.41Å; D367-R369 VanDerWaalsContact O-N 3.14Å; D367-R369 WeakPolarHBondContact OD1-CB 3.49Å; D367-R369 WeakPolarHBondContact OD1-CG 3.4Å; D367-R369 IonicContact OD1-CZ 3.82Å; D367-R369 PolarHBondContact OD1-N 2.89Å; D367-R369 IonicContact OD1-NE 3.11Å; D367-R369 PolarHBondContact OD1-NE 3.46Å; D367-R369 IonicContact OD1-NH2 3.47Å; D367-R369 IonicContact OD2-CZ 3.24Å; D367-R369 VanDerWaalsContact OD2-CZ 3.28Å; D367-R369 IonicContact OD2-NE 3.53Å; D367-R369 PolarHBondContact OD2-NE 3.37Å; D367-R369 IonicContact OD2-NH2 2.84Å; D367-R369 PolarHBondContact OD2-NH2 3.41Å
370H91.3Very high94.1Very high143 Ų14376.4 Ų76.466%0.66239%0.393SS*.G310 helixtrans-106.56.1177.6-58.2105.1000112.7D367 H368 P372D367-H370 PolarHBondContact O-N 3.01Å; D367-H370 IonicContact OD2-CE1 3.86Å; D367-H370 PolarHBondContact OD2-CE1 2.87Å; D367-H370 IonicContact OD2-ND1 3.82Å; D367-H370 PolarHBondContact OD2-ND1 2.91Å; H368-H370 PolarHBondContact O-N 3.25Å; H370-P372 WeakPolarHBondContact O-CD 3.34Å
371D94.3Very high94Very high4 Ų470 Ų702%0.02137%0.367CS..  trans-67.2113.7175-179.7-17.4000108.9R26 Y366 D367 H368 L373 Y374R26-D371 VanDerWaalsContact CA-OD1 3.31Å; R26-D371 WeakPolarHBondContact CA-OD1 3.49Å; R26-D371 WeakPolarHBondContact CB-OD2 3.41Å; R26-D371 WeakPolarHBondContact CG-OD2 3.46Å; R26-D371 IonicContact CZ-OD2 3.93Å; R26-D371 IonicContact NE-OD2 3.82Å; R26-D371 PolarHBondContact NE-OD2 2.82Å; R26-D371 IonicContact NH2-OD2 3.78Å; R26-D371 PolarHBondContact NH2-OD2 2.95Å; Y366-D371 HydrophobicContact CE2-CB 4.26Å; Y366-D371 PolarHBondContact OH-OD2 3.38Å; D367-D371 PolarHBondContact O-N 3.42Å; H368-D371 WeakPolarHBondContact O-CB 3.46Å; H368-D371 PolarHBondContact O-N 2.96Å; H368-D371 VanDerWaalsContact O-N 3.14Å; D371-L373 PolarHBondContact O-N 3.34Å; D371-L373 VanDerWaalsContact O-N 3.08Å; D371-L373 WeakPolarHBondContact OD1-CB 3.38Å; D371-L373 PolarHBondContact OD1-N 3.25Å; D371-Y374 HydrophobicContact CB-CD2 3.7Å; D371-Y374 HydrophobicContact CB-CE2 3.78Å; D371-Y374 PolarHBondContact O-N 3.18Å
372P94.2Very high93.9Very high39 Ų3974 Ų7425%0.25340%0.395SS..THydrogen-bonded Turntrans-61.4-21.6-176.6-21.232.7000113.3R26 H370 Y374 S375 I376R26-P372 WeakPolarHBondContact O-CD 3.39Å; H370-P372 WeakPolarHBondContact O-CD 3.34Å; P372-Y374 PolarHBondContact O-N 3.37Å; P372-S375 PolarHBondContact O-N 3.22Å; P372-S375 VanDerWaalsContact O-N 3.11Å; P372-S375 PolarHBondContact O-OG 2.97Å; P372-I376 WeakPolarHBondContact O-CG1 3.18Å; P372-I376 PolarHBondContact O-N 2.91Å; P372-I376 VanDerWaalsContact O-N 3.08Å
373L93.6Very high93.7Very high2 Ų273.3 Ų73.31%0.0139%0.387CS..Hα-helixtrans-61.4-30.7-179.2-169.959.8000112.1R26 F42 F54 R55 D371 I376 G377 I393R26-L373 HydrophobicContact CG-CB 4.18Å; R26-L373 HydrophobicContact CG-CD2 4.04Å; F42-L373 HydrophobicContact CB-CD1 4Å; F42-L373 HydrophobicContact CB-CD2 4.04Å; F42-L373 HydrophobicContact CD1-CD2 3.84Å; F42-L373 HydrophobicContact CD2-CD2 3.65Å; F42-L373 HydrophobicContact CE1-CD2 4.22Å; F42-L373 HydrophobicContact CE2-CD2 4.01Å; F42-L373 HydrophobicContact CG-CD1 4.43Å; F42-L373 HydrophobicContact CG-CD2 3.55Å; F42-L373 HydrophobicContact CZ-CD2 4.3Å; F54-L373 HydrophobicContact CB-CD1 4.34Å; F54-L373 HydrophobicContact CD1-CD1 3.99Å; R55-L373 WeakPolarHBondContact O-CD1 3.4Å; D371-L373 PolarHBondContact O-N 3.34Å; D371-L373 VanDerWaalsContact O-N 3.08Å; D371-L373 WeakPolarHBondContact OD1-CB 3.38Å; D371-L373 PolarHBondContact OD1-N 3.25Å; L373-I376 HydrophobicContact CD1-CG1 4.45Å; L373-G377 VanDerWaalsContact O-CA 3.29Å; L373-G377 WeakPolarHBondContact O-CA 3.38Å; L373-G377 PolarHBondContact O-N 3.21Å; L373-I393 HydrophobicContact CD2-CD1 3.73Å
374Y92.8Very high93.7Very high38 Ų3871.6 Ų71.615%0.14938%0.375CS..Hα-helixtrans-72.4-27.3177.4-65.7-58.3000113.7T56 H368 D371 P372 I393 P394 F395T56-Y374 HydrophobicContact CG2-CD1 4.11Å; H368-Y374 HydrophobicContact CB-CE2 4.37Å; H368-Y374 WeakPolarHBondContact O-CD2 3.31Å; H368-Y374 WeakPolarHBondContact O-CE2 3.22Å; D371-Y374 HydrophobicContact CB-CD2 3.7Å; D371-Y374 HydrophobicContact CB-CE2 3.78Å; D371-Y374 PolarHBondContact O-N 3.18Å; P372-Y374 PolarHBondContact O-N 3.37Å; Y374-I393 HydrophobicContact CE1-CD1 3.9Å; Y374-I393 HydrophobicContact CE1-CG1 3.79Å; Y374-P394 PolarHBondContact OH-O 2.86Å; Y374-F395 AromaticContact CD1-CD1 3.62Å; Y374-F395 HydrophobicContact CD1-CD1 3.62Å; Y374-F395 AromaticContact CD1-CE1 3.25Å; Y374-F395 HydrophobicContact CD1-CE1 3.25Å; Y374-F395 HydrophobicContact CD1-CE2 4.38Å; Y374-F395 HydrophobicContact CD1-CG 4.34Å; Y374-F395 AromaticContact CD1-CZ 3.68Å; Y374-F395 HydrophobicContact CD1-CZ 3.68Å; Y374-F395 HydrophobicContact CD2-CD1 4.1Å; Y374-F395 HydrophobicContact CD2-CE1 4.22Å; Y374-F395 AromaticContact CE1-CD1 3.72Å; Y374-F395 HydrophobicContact CE1-CD1 3.72Å; Y374-F395 HydrophobicContact CE1-CD2 4.42Å; Y374-F395 AromaticContact CE1-CE1 3.81Å; Y374-F395 HydrophobicContact CE1-CE1 3.81Å; Y374-F395 HydrophobicContact CE1-CE2 4.47Å; Y374-F395 HydrophobicContact CE1-CG 4.05Å; Y374-F395 HydrophobicContact CE1-CZ 4.18Å; Y374-F395 HydrophobicContact CE2-CD1 4.21Å; Y374-F395 AromaticContact CG-CD1 3.84Å; Y374-F395 HydrophobicContact CG-CD1 3.84Å; Y374-F395 AromaticContact CG-CE1 3.51Å; Y374-F395 HydrophobicContact CG-CE1 3.51Å; Y374-F395 HydrophobicContact CG-CZ 4.33Å; Y374-F395 WeakPolarHBondContact OH-CA 3.26Å
375S91.9Very high93.7Very high101 Ų10171.8 Ų71.871%0.70637%0.37SS*.Hα-helixtrans-88.1-32.9178.762.70000112.6P372P372-S375 PolarHBondContact O-N 3.22Å; P372-S375 VanDerWaalsContact O-N 3.11Å; P372-S375 PolarHBondContact O-OG 2.97Å
376I93.3Very high93.8Very high79 Ų7964.6 Ų64.641%0.40534%0.34SS..Hα-helixtrans-93.6-16.9-179.573.2-173.5000113.4F54 P372 L373 L378F54-I376 HydrophobicContact CB-CD1 4.23Å; F54-I376 HydrophobicContact CB-CG1 3.85Å; F54-I376 HydrophobicContact CD1-CD1 3.59Å; F54-I376 HydrophobicContact CD1-CG1 4.15Å; F54-I376 HydrophobicContact CD2-CD1 4.17Å; F54-I376 HydrophobicContact CD2-CG1 4.49Å; F54-I376 HydrophobicContact CE1-CD1 3.93Å; F54-I376 HydrophobicContact CE2-CD1 4.48Å; F54-I376 HydrophobicContact CG-CD1 3.73Å; F54-I376 HydrophobicContact CG-CG1 3.91Å; F54-I376 HydrophobicContact CZ-CD1 4.37Å; P372-I376 WeakPolarHBondContact O-CG1 3.18Å; P372-I376 PolarHBondContact O-N 2.91Å; P372-I376 VanDerWaalsContact O-N 3.08Å; L373-I376 HydrophobicContact CD1-CG1 4.45Å; I376-L378 PolarHBondContact O-N 2.96Å
377G95.5Very high94Very high17 Ų1761 Ų6118%0.17533%0.326CS..PPolyproline II helixtrans-72.1122.1-175.700000112.8F54 L373F54-G377 WeakPolarHBondContact O-CA 3.48Å; L373-G377 VanDerWaalsContact O-CA 3.29Å; L373-G377 WeakPolarHBondContact O-CA 3.38Å; L373-G377 PolarHBondContact O-N 3.21Å
378L96.7Very high94.2Very high76 Ų7660.7 Ų60.740%0.39832%0.322SS..PPolyproline II helixtrans-86125.5176.9-17565.8000110.8V53 F54 R55 P75 I376V53-L378 HydrophobicContact CG1-CB 3.99Å; V53-L378 HydrophobicContact CG1-CD2 3.95Å; F54-L378 PolarHBondContact O-N 3.1Å; R55-L378 WeakPolarHBondContact CD-O 3.49Å; R55-L378 PolarHBondContact NH1-O 2.94Å; P75-L378 HydrophobicContact CB-CD2 4.07Å; P75-L378 HydrophobicContact CG-CD2 3.69Å; I376-L378 PolarHBondContact O-N 2.96Å
379S96Very high94.5Very high81 Ų8161.4 Ų61.457%0.56633%0.33SS*.PPolyproline II helixtrans-66.4156.1172.8-64.20000112.5R55R55-S379 PolarHBondContact NH1-O 3.47Å
380L96.8Very high94.6Very high14 Ų1459.4 Ų59.47%0.07332%0.322CS..PPolyproline II helixtrans-74150168.6-66.2-174000110.4F57 E384 R388F57-L380 HydrophobicContact CE1-CD1 4.14Å; F57-L380 HydrophobicContact CE1-CD2 4.2Å; F57-L380 HydrophobicContact CE1-CG 3.82Å; F57-L380 HydrophobicContact CE2-CD1 4.45Å; F57-L380 HydrophobicContact CZ-CD1 3.77Å; F57-L380 HydrophobicContact CZ-CD2 3.82Å; F57-L380 HydrophobicContact CZ-CG 3.76Å; L380-E384 HydrophobicContact CB-CB 4.06Å; L380-E384 HydrophobicContact CD2-CB 4.09Å; L380-E384 HydrophobicContact CG-CB 4.46Å; L380-R388 HydrophobicContact CD1-CB 4.44Å; L380-R388 VanDerWaalsContact CD1-CD 3.5Å; L380-R388 HydrophobicContact CD1-CG 3.7Å
381S94.7Very high94.7Very high37 Ų3757.4 Ų57.426%0.25932%0.322SS..PPolyproline II helixtrans-72.3158.6164.383.70000109.9E383 E384 E385S381-E383 VanDerWaalsContact CB-OE2 3.22Å; S381-E383 WeakPolarHBondContact CB-OE2 3.44Å; S381-E383 PolarHBondContact O-N 3.48Å; S381-E383 VanDerWaalsContact O-N 3.12Å; S381-E383 PolarHBondContact OG-OE2 3.11Å; S381-E384 WeakPolarHBondContact O-CA 3.29Å; S381-E384 PolarHBondContact O-N 3.12Å; S381-E384 WeakPolarHBondContact OG-CG 3.34Å; S381-E384 PolarHBondContact OG-N 2.62Å; S381-E385 PolarHBondContact O-N 3.47Å
382P95Very high94.7Very high110 Ų11060.1 Ų60.171%0.71434%0.336SS*.THydrogen-bonded Turntrans-53.4-34178-27.936.4000113.9E384P382-E384 VanDerWaalsContact C-N 3.34Å
383E92.6Very high94.5Very high136 Ų13659.5 Ų59.564%0.63633%0.331SS*.THydrogen-bonded Turntrans-73.9-26.3178.3-51.476.8-165.600112.5S381 C386S381-E383 VanDerWaalsContact CB-OE2 3.22Å; S381-E383 WeakPolarHBondContact CB-OE2 3.44Å; S381-E383 PolarHBondContact O-N 3.48Å; S381-E383 VanDerWaalsContact O-N 3.12Å; S381-E383 PolarHBondContact OG-OE2 3.11Å; E383-C386 PolarHBondContact O-SG 3.04Å
384E95.8Very high93.8Very high20 Ų2063.4 Ų63.49%0.09336%0.356CS..THydrogen-bonded Turntrans-85.8-14.9179.6-69.1179.5165.300112.6R78 L380 S381 P382 C386 T387R78-E384 IonicContact CZ-OE1 3.71Å; R78-E384 IonicContact NE-OE1 2.82Å; R78-E384 IonicContact NH2-OE1 3.58Å; R78-E384 PolarHBondContact NH2-OE1 3.35Å; L380-E384 HydrophobicContact CB-CB 4.06Å; L380-E384 HydrophobicContact CD2-CB 4.09Å; L380-E384 HydrophobicContact CG-CB 4.46Å; S381-E384 WeakPolarHBondContact O-CA 3.29Å; S381-E384 PolarHBondContact O-N 3.12Å; S381-E384 WeakPolarHBondContact OG-CG 3.34Å; S381-E384 PolarHBondContact OG-N 2.62Å; P382-E384 VanDerWaalsContact C-N 3.34Å; E384-C386 PolarHBondContact O-N 3.35Å; E384-C386 VanDerWaalsContact O-N 3.11Å; E384-T387 VanDerWaalsContact O-CB 3.29Å; E384-T387 WeakPolarHBondContact O-CB 3.07Å; E384-T387 WeakPolarHBondContact O-CG2 3.22Å; E384-T387 PolarHBondContact O-N 3.41Å; E384-T387 PolarHBondContact O-OG1 2.93Å
385E95.9Very high92.6Very high76 Ų7667.8 Ų67.836%0.35538%0.376SS..G310 helixtrans-56.3-30.6-179.4-75.2-63.2164.200113.1S381 T387 R388S381-E385 PolarHBondContact O-N 3.47Å; E385-T387 PolarHBondContact O-N 3.36Å; E385-T387 VanDerWaalsContact O-N 3.11Å; E385-R388 VanDerWaalsContact CD-NH2 3.28Å; E385-R388 WeakPolarHBondContact O-CG 3.37Å; E385-R388 PolarHBondContact O-N 3.46Å; E385-R388 IonicContact OE1-CZ 3.54Å; E385-R388 IonicContact OE1-NE 2.67Å; E385-R388 IonicContact OE1-NH2 2.63Å; E385-R388 PolarHBondContact OE1-NH2 2.72Å; E385-R388 IonicContact OE2-CZ 3.53Å; E385-R388 VanDerWaalsContact OE2-CZ 3.22Å; E385-R388 IonicContact OE2-NE 3.87Å; E385-R388 PolarHBondContact OE2-NE 3.36Å; E385-R388 IonicContact OE2-NH2 3.8Å; E385-R388 PolarHBondContact OE2-NH2 3.11Å
386C95.4Very high91.2Very high30 Ų3067 Ų6720%0.20337%0.371CS..G310 helixtrans-66.9-8.7175.169.60000114.7L113 M114 Y117 E383 E384 R388L113-C386 HydrophobicContact CD2-CB 3.72Å; L113-C386 HydrophobicContact CG-CB 4.21Å; M114-C386 WeakPolarHBondContact CA-O 3.34Å; M114-C386 WeakPolarHBondContact CB-O 3.48Å; M114-C386 PolarHBondContact N-O 3.35Å; Y117-C386 WeakPolarHBondContact CE2-SG 3.42Å; E383-C386 PolarHBondContact O-SG 3.04Å; E384-C386 PolarHBondContact O-N 3.35Å; E384-C386 VanDerWaalsContact O-N 3.11Å; C386-R388 VanDerWaalsContact C-N 3.33Å
387T96.6Very high89.3Confident2 Ų266 Ų661%0.01237%0.371CS..G310 helixtrans-92.48.5-179.171.20000113.4G71 R72 M114 Y117 E384 E385G71-T387 WeakPolarHBondContact O-CG2 3.44Å; R72-T387 WeakPolarHBondContact CD-OG1 3.47Å; R72-T387 HydrophobicContact CG-CG2 4.09Å; R72-T387 VanDerWaalsContact CG-OG1 3.24Å; R72-T387 WeakPolarHBondContact CG-OG1 3.49Å; R72-T387 PolarHBondContact NH1-O 3.46Å; R72-T387 VanDerWaalsContact NH1-O 3.12Å; R72-T387 PolarHBondContact NH1-OG1 3.14Å; M114-T387 WeakPolarHBondContact CG-O 3.28Å; Y117-T387 HydrophobicContact CD1-CG2 3.85Å; Y117-T387 HydrophobicContact CE1-CG2 4.33Å; Y117-T387 HydrophobicContact CG-CG2 3.97Å; E384-T387 VanDerWaalsContact O-CB 3.29Å; E384-T387 WeakPolarHBondContact O-CB 3.07Å; E384-T387 WeakPolarHBondContact O-CG2 3.22Å; E384-T387 PolarHBondContact O-N 3.41Å; E384-T387 PolarHBondContact O-OG1 2.93Å; E385-T387 PolarHBondContact O-N 3.36Å; E385-T387 VanDerWaalsContact O-N 3.11Å
388R95.8Very high86.7Confident30 Ų3075.2 Ų75.211%0.11342%0.423CS..  trans-141160.1174.664.2168.7179.1177.4-4.4112.6F57 E61 L380 E385 C386 N392F57-R388 HydrophobicContact CD2-CB 4.42Å; F57-R388 HydrophobicContact CE2-CB 4.25Å; F57-R388 VanDerWaalsContact CG-NH1 3.29Å; E61-R388 WeakPolarHBondContact OE1-CA 3.19Å; E61-R388 WeakPolarHBondContact OE1-CB 3.32Å; L380-R388 HydrophobicContact CD1-CB 4.44Å; L380-R388 VanDerWaalsContact CD1-CD 3.5Å; L380-R388 HydrophobicContact CD1-CG 3.7Å; E385-R388 VanDerWaalsContact CD-NH2 3.28Å; E385-R388 WeakPolarHBondContact O-CG 3.37Å; E385-R388 PolarHBondContact O-N 3.46Å; E385-R388 IonicContact OE1-CZ 3.54Å; E385-R388 IonicContact OE1-NE 2.67Å; E385-R388 IonicContact OE1-NH2 2.63Å; E385-R388 PolarHBondContact OE1-NH2 2.72Å; E385-R388 IonicContact OE2-CZ 3.53Å; E385-R388 VanDerWaalsContact OE2-CZ 3.22Å; E385-R388 IonicContact OE2-NE 3.87Å; E385-R388 PolarHBondContact OE2-NE 3.36Å; E385-R388 IonicContact OE2-NH2 3.8Å; E385-R388 PolarHBondContact OE2-NH2 3.11Å; C386-R388 VanDerWaalsContact C-N 3.33Å; R388-N392 PolarHBondContact NH1-OD1 3.01Å
389T95.5Very high86.2Confident67 Ų6775.2 Ų75.241%0.41142%0.424SS..  trans-124.7-22.416771.20000112.6E61 E111 M114E61-T389 VanDerWaalsContact CD-N 3.27Å; E61-T389 PolarHBondContact OE1-N 2.81Å; E61-T389 WeakPolarHBondContact OE2-CA 3.37Å; E61-T389 WeakPolarHBondContact OE2-CB 3.35Å; E61-T389 PolarHBondContact OE2-N 3.36Å; E61-T389 PolarHBondContact OE2-OG1 2.67Å; E111-T389 HydrophobicContact CB-CG2 4.07Å; M114-T389 HydrophobicContact CE-CG2 3.98Å; M114-T389 HydrophobicContact SD-CG2 4.05Å
390R93.6Very high85.7Confident146 Ų14674.8 Ų74.855%0.55142%0.417SS*.SBendtrans-72.5132.7174.6-66.5-58.3-175.5-177.7-2.1110.9D58 E61D58-R390 HydrophobicContact CB-CB 4.4Å; D58-R390 HydrophobicContact CB-CG 4.21Å; E61-R390 HydrophobicContact CB-CG 3.71Å; E61-R390 HydrophobicContact CG-CG 4.34Å; E61-R390 PolarHBondContact OE1-N 2.85Å; E61-R390 WeakPolarHBondContact OE2-CG 3.29Å; E61-R390 PolarHBondContact OE2-N 3.08Å
391P93.5Very high85.1Confident101 Ų10178.2 Ų78.266%0.65644%0.436SS*.PPolyproline II helixtrans-68.6167.4173.531.7-35.6000110.6F57F57-P391 WeakPolarHBondContact CB-O 3.48Å
392N93.3Very high84.5Confident60 Ų6080.6 Ų80.632%0.32145%0.446SS..PPolyproline II helixtrans-57.3148164.1-69.6-25.3000110.1T56 R388T56-N392 CarbonylContact O-C 3.59Å; T56-N392 WeakPolarHBondContact O-CA 3.02Å; T56-N392 PolarHBondContact OG1-OD1 3.35Å; T56-N392 VanDerWaalsContact OG1-OD1 3.09Å; R388-N392 PolarHBondContact NH1-OD1 3.01Å
393I89.3Confident83.8Confident26 Ų2678.8 Ų78.813%0.13343%0.43CS..PPolyproline II helixtrans-54.9133.4165.357.7168.8000108F42 T56 L373 Y374 F395F42-I393 HydrophobicContact CE1-CG2 3.7Å; F42-I393 HydrophobicContact CZ-CG2 3.8Å; T56-I393 WeakPolarHBondContact O-CG1 3.42Å; T56-I393 PolarHBondContact O-N 2.77Å; L373-I393 HydrophobicContact CD2-CD1 3.73Å; Y374-I393 HydrophobicContact CE1-CD1 3.9Å; Y374-I393 HydrophobicContact CE1-CG1 3.79Å; I393-F395 PolarHBondContact O-N 2.86Å
394P79.7Confident83.3Confident85 Ų8575 Ų7555%0.55242%0.416SS*.PPolyproline II helixtrans-67.7132.7-177.327.2-33.3000109.6Y374 S396Y374-P394 PolarHBondContact OH-O 2.86Å; P394-S396 PolarHBondContact O-N 3.26Å
395F68Low82.4Confident130 Ų13078.9 Ų78.957%0.5744%0.439SS*.SBendtrans-53.3-45.6173.6-79.6-86.6000110.6H368 Y374 I393 S397H368-F395 WeakPolarHBondContact CB-O 3.49Å; H368-F395 PolarHBondContact CD2-O 3.2Å; Y374-F395 AromaticContact CD1-CD1 3.62Å; Y374-F395 HydrophobicContact CD1-CD1 3.62Å; Y374-F395 AromaticContact CD1-CE1 3.25Å; Y374-F395 HydrophobicContact CD1-CE1 3.25Å; Y374-F395 HydrophobicContact CD1-CE2 4.38Å; Y374-F395 HydrophobicContact CD1-CG 4.34Å; Y374-F395 AromaticContact CD1-CZ 3.68Å; Y374-F395 HydrophobicContact CD1-CZ 3.68Å; Y374-F395 HydrophobicContact CD2-CD1 4.1Å; Y374-F395 HydrophobicContact CD2-CE1 4.22Å; Y374-F395 AromaticContact CE1-CD1 3.72Å; Y374-F395 HydrophobicContact CE1-CD1 3.72Å; Y374-F395 HydrophobicContact CE1-CD2 4.42Å; Y374-F395 AromaticContact CE1-CE1 3.81Å; Y374-F395 HydrophobicContact CE1-CE1 3.81Å; Y374-F395 HydrophobicContact CE1-CE2 4.47Å; Y374-F395 HydrophobicContact CE1-CG 4.05Å; Y374-F395 HydrophobicContact CE1-CZ 4.18Å; Y374-F395 HydrophobicContact CE2-CD1 4.21Å; Y374-F395 AromaticContact CG-CD1 3.84Å; Y374-F395 HydrophobicContact CG-CD1 3.84Å; Y374-F395 AromaticContact CG-CE1 3.51Å; Y374-F395 HydrophobicContact CG-CE1 3.51Å; Y374-F395 HydrophobicContact CG-CZ 4.33Å; Y374-F395 WeakPolarHBondContact OH-CA 3.26Å; I393-F395 PolarHBondContact O-N 2.86Å; F395-S397 PolarHBondContact O-N 3.19Å
396S61.7Low81.3Confident84 Ų8479.2 Ų79.259%0.58745%0.445SS*.SBendtrans-78.2109.9170.655.40000110.1P394P394-S396 PolarHBondContact O-N 3.26Å
397S54Low80.1Confident58 Ų5883.3 Ų83.341%0.40647%0.465SS..  trans-68143.9162.855.20000109.8F395F395-S397 PolarHBondContact O-N 3.19Å
398V40.6Very low78.7Confident210 Ų21090.6 Ų90.6100%1.27351%0.507SS*.  trans-33.50157.9-179.50000112.4

Retrieved 398 of 398 residues in 296.2 ms (Link to these results)

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