A0A3Q0KQ40_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M68.7Low89.9Confident135 Ų13581 Ų8167%0.66540%0.403SS*.  0-58.10-160.5168.8-80.800112.8S3 F4 L5M1-S3 PolarHBondContact O-N 3.34Å; M1-F4 PolarHBondContact O-N 2.73Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-L5 HydrophobicContact CG-CD1 4.1Å; M1-L5 HydrophobicContact CG-CG 4.38Å; M1-L5 PolarHBondContact O-N 3.11Å
2F80.1Confident90.4Very high120 Ų12079.3 Ų79.353%0.52639%0.389SS..Hα-helixtrans-59.7-39.6-175-157.5-92.5000114.9R6 F62 L66F2-R6 WeakPolarHBondContact O-CB 3.14Å; F2-R6 PolarHBondContact O-N 3.2Å; F2-F62 AromaticContact CE1-CE1 3.7Å; F2-F62 HydrophobicContact CE1-CE1 3.7Å; F2-F62 HydrophobicContact CE1-CZ 4.13Å; F2-F62 HydrophobicContact CE2-CE1 4.14Å; F2-F62 HydrophobicContact CE2-CZ 4.46Å; F2-F62 AromaticContact CZ-CE1 3.5Å; F2-F62 HydrophobicContact CZ-CE1 3.5Å; F2-F62 HydrophobicContact CZ-CZ 4.12Å; F2-L66 HydrophobicContact CD2-CD1 4.29Å; F2-L66 HydrophobicContact CE2-CD1 3.46Å; F2-L66 VanDerWaalsContact CE2-CD1 3.46Å; F2-L66 HydrophobicContact CE2-CD2 4.43Å; F2-L66 HydrophobicContact CZ-CD1 3.99Å
3S87.3Confident90.8Very high98 Ų9875 Ų7569%0.68537%0.372SS*.Hα-helixtrans-64.5-39.6176.453.10000112.8M1 K7M1-S3 PolarHBondContact O-N 3.34Å; S3-K7 WeakPolarHBondContact O-CB 3.39Å; S3-K7 PolarHBondContact O-N 3.19Å
4F91.1Very high91.1Very high76 Ų7672 Ų7233%0.33336%0.361SS..Hα-helixtrans-66-50.6175.5172.9-106.6000111.2M1 R6 K7 V8 L32M1-F4 PolarHBondContact O-N 2.73Å; M1-F4 VanDerWaalsContact O-N 3.16Å; F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.39Å; F4-K7 WeakPolarHBondContact O-CA 3.45Å; F4-K7 WeakPolarHBondContact O-CB 3.11Å; F4-K7 PolarHBondContact O-N 3.18Å; F4-V8 HydrophobicContact CD1-CG2 4.36Å; F4-V8 HydrophobicContact CD2-CG2 4.21Å; F4-V8 HydrophobicContact CE1-CG2 3.93Å; F4-V8 HydrophobicContact CE2-CG2 3.76Å; F4-V8 HydrophobicContact CG-CG2 4.49Å; F4-V8 HydrophobicContact CZ-CG2 3.61Å; F4-V8 WeakPolarHBondContact O-CG2 3.29Å; F4-V8 PolarHBondContact O-N 3.29Å; F4-L32 HydrophobicContact CD1-CD2 4.45Å; F4-L32 HydrophobicContact CE1-CD2 3.6Å; F4-L32 HydrophobicContact CZ-CD2 4.18Å
5L93.3Very high91.1Very high10 Ų1077.1 Ų77.15%0.05240%0.401CS..Hα-helixtrans-59.7-40.4178-66.5-178000111.7M1 V8 F9 L32 F65 L66 V69 M151M1-L5 HydrophobicContact CG-CD1 4.1Å; M1-L5 HydrophobicContact CG-CG 4.38Å; M1-L5 PolarHBondContact O-N 3.11Å; L5-V8 PolarHBondContact O-N 2.73Å; L5-F9 WeakPolarHBondContact O-CB 3.25Å; L5-F9 PolarHBondContact O-N 2.72Å; L5-L32 HydrophobicContact CD2-CD1 4.5Å; L5-L32 HydrophobicContact CD2-CD2 3.76Å; L5-F65 HydrophobicContact CB-CE1 3.88Å; L5-F65 HydrophobicContact CB-CZ 4.42Å; L5-F65 HydrophobicContact CD2-CE1 4.27Å; L5-F65 HydrophobicContact CD2-CZ 3.94Å; L5-F65 WeakPolarHBondContact O-CE1 3.49Å; L5-L66 HydrophobicContact CB-CD2 4.16Å; L5-L66 HydrophobicContact CD1-CD2 3.64Å; L5-V69 HydrophobicContact CD1-CG1 4.45Å; L5-M151 HydrophobicContact CD2-CE 3.98Å
6R94.3Very high91.1Very high143 Ų14377.8 Ų77.854%0.5441%0.406SS..Hα-helixtrans-61.8-44.5173.7-179172.2-87.4-145.2-5111.8F2 F4 F9 S10 F62F2-R6 WeakPolarHBondContact O-CB 3.14Å; F2-R6 PolarHBondContact O-N 3.2Å; F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.39Å; R6-F9 PolarHBondContact O-N 3.08Å; R6-S10 WeakPolarHBondContact O-CB 3.29Å; R6-S10 PolarHBondContact O-N 3.44Å; R6-S10 PolarHBondContact O-OG 2.89Å; R6-S10 VanDerWaalsContact O-OG 3.07Å; R6-F62 VanDerWaalsContact CA-CE2 3.46Å; R6-F62 HydrophobicContact CB-CE1 4.47Å; R6-F62 HydrophobicContact CB-CE2 3.98Å; R6-F62 HydrophobicContact CB-CZ 3.72Å; R6-F62 HydrophobicContact CG-CZ 4.4Å
7K93.9Very high91.1Very high137 Ų13775.8 Ų75.860%0.59641%0.408SS*.Hα-helixtrans-59.3-48.3176-177-175.9177.2-172.80111.4S3 F4 F9 S10 N11S3-K7 WeakPolarHBondContact O-CB 3.39Å; S3-K7 PolarHBondContact O-N 3.19Å; F4-K7 WeakPolarHBondContact O-CA 3.45Å; F4-K7 WeakPolarHBondContact O-CB 3.11Å; F4-K7 PolarHBondContact O-N 3.18Å; K7-F9 PolarHBondContact O-N 2.95Å; K7-S10 PolarHBondContact O-N 2.89Å; K7-N11 VanDerWaalsContact O-CG 3.23Å; K7-N11 PolarHBondContact O-N 2.82Å; K7-N11 PolarHBondContact O-OD1 3.16Å
8V93.5Very high91.3Very high1 Ų177.3 Ų77.31%0.00642%0.416CS..Hα-helixtrans-59.5-47.5178174.60000110.6F4 L5 S10 N11 Y12 L28 E31 L32F4-V8 HydrophobicContact CD1-CG2 4.36Å; F4-V8 HydrophobicContact CD2-CG2 4.21Å; F4-V8 HydrophobicContact CE1-CG2 3.93Å; F4-V8 HydrophobicContact CE2-CG2 3.76Å; F4-V8 HydrophobicContact CG-CG2 4.49Å; F4-V8 HydrophobicContact CZ-CG2 3.61Å; F4-V8 WeakPolarHBondContact O-CG2 3.29Å; F4-V8 PolarHBondContact O-N 3.29Å; L5-V8 PolarHBondContact O-N 2.73Å; V8-S10 PolarHBondContact O-N 2.98Å; V8-N11 PolarHBondContact O-N 2.75Å; V8-Y12 HydrophobicContact CG1-CD2 4.23Å; V8-Y12 HydrophobicContact CG1-CE2 4.16Å; V8-Y12 WeakPolarHBondContact O-CD2 3.49Å; V8-L28 HydrophobicContact CG1-CB 4.3Å; V8-L28 HydrophobicContact CG1-CD1 4.19Å; V8-L28 HydrophobicContact CG1-CG 3.79Å; V8-E31 HydrophobicContact CG1-CB 4.2Å; V8-E31 HydrophobicContact CG1-CG 4Å; V8-E31 HydrophobicContact CG2-CG 3.92Å; V8-L32 HydrophobicContact CB-CD2 4.19Å; V8-L32 HydrophobicContact CG1-CD2 3.9Å; V8-L32 HydrophobicContact CG1-CG 4.08Å; V8-L32 HydrophobicContact CG2-CD2 3.92Å
9F96.3Very high91.6Very high6 Ų675.7 Ų75.73%0.02640%0.403CS..Hα-helixtrans-56.9-50176.2-177.1-90.3000111.7L5 R6 K7 N11 Y12 S13 V20 L28 I60 T61 F62 F65L5-F9 WeakPolarHBondContact O-CB 3.25Å; L5-F9 PolarHBondContact O-N 2.72Å; R6-F9 PolarHBondContact O-N 3.08Å; K7-F9 PolarHBondContact O-N 2.95Å; F9-N11 VanDerWaalsContact C-N 3.28Å; F9-N11 PolarHBondContact O-N 3.33Å; F9-Y12 CarbonylContact O-C 3.6Å; F9-Y12 PolarHBondContact O-N 3.08Å; F9-Y12 VanDerWaalsContact O-N 3.14Å; F9-S13 VanDerWaalsContact CD1-OG 3.26Å; F9-S13 WeakPolarHBondContact CD1-OG 3.5Å; F9-S13 WeakPolarHBondContact CE1-OG 3.3Å; F9-S13 PolarHBondContact O-N 3.02Å; F9-S13 PolarHBondContact O-OG 2.92Å; F9-V20 HydrophobicContact CD1-CG2 4.45Å; F9-V20 HydrophobicContact CD2-CG2 3.57Å; F9-V20 HydrophobicContact CE1-CG2 4.27Å; F9-V20 HydrophobicContact CE2-CB 4.11Å; F9-V20 HydrophobicContact CE2-CG2 3.37Å; F9-V20 HydrophobicContact CG-CG2 4.12Å; F9-V20 HydrophobicContact CZ-CG2 3.74Å; F9-L28 HydrophobicContact CD2-CD1 4.46Å; F9-I60 HydrophobicContact CE2-CG1 4.45Å; F9-T61 VanDerWaalsContact CE2-C 3.46Å; F9-F62 HydrophobicContact CB-CD2 3.65Å; F9-F62 HydrophobicContact CB-CE2 4.01Å; F9-F62 HydrophobicContact CD1-CB 4.1Å; F9-F62 AromaticContact CD1-CD2 3.95Å; F9-F62 HydrophobicContact CD1-CD2 3.95Å; F9-F62 HydrophobicContact CD1-CG 4.42Å; F9-F62 HydrophobicContact CD2-CB 4.37Å; F9-F62 AromaticContact CD2-CD2 3.94Å; F9-F62 HydrophobicContact CD2-CD2 3.94Å; F9-F62 HydrophobicContact CE1-CB 3.98Å; F9-F62 HydrophobicContact CE2-CB 4.23Å; F9-F62 HydrophobicContact CG-CB 4.31Å; F9-F62 AromaticContact CG-CD2 3.57Å; F9-F62 HydrophobicContact CG-CD2 3.57Å; F9-F62 HydrophobicContact CG-CE2 4.41Å; F9-F62 HydrophobicContact CG-CG 4.4Å; F9-F62 HydrophobicContact CZ-CB 4.05Å; F9-F65 HydrophobicContact CB-CD1 3.92Å; F9-F65 HydrophobicContact CB-CE1 4.08Å; F9-F65 HydrophobicContact CD2-CB 3.73Å; F9-F65 AromaticContact CD2-CD1 3.74Å; F9-F65 HydrophobicContact CD2-CD1 3.74Å; F9-F65 AromaticContact CD2-CG 3.88Å; F9-F65 HydrophobicContact CD2-CG 3.88Å; F9-F65 HydrophobicContact CE2-CB 4Å; F9-F65 HydrophobicContact CG-CD1 4.24Å
10S95.5Very high91.8Very high74 Ų7471.9 Ų71.952%0.51738%0.383SS..Hα-helixtrans-62-32.7-179.6-64.40000113.3R6 K7 V8 Y12R6-S10 WeakPolarHBondContact O-CB 3.29Å; R6-S10 PolarHBondContact O-N 3.44Å; R6-S10 PolarHBondContact O-OG 2.89Å; R6-S10 VanDerWaalsContact O-OG 3.07Å; K7-S10 PolarHBondContact O-N 2.89Å; V8-S10 PolarHBondContact O-N 2.98Å; S10-Y12 PolarHBondContact O-N 3.3Å
11N95.1Very high92Very high91 Ų9171.9 Ų71.949%0.48738%0.383SS..Hα-helixtrans-64.3-27177.5-73-8.8000113.4K7 V8 F9K7-N11 VanDerWaalsContact O-CG 3.23Å; K7-N11 PolarHBondContact O-N 2.82Å; K7-N11 PolarHBondContact O-OD1 3.16Å; V8-N11 PolarHBondContact O-N 2.75Å; F9-N11 VanDerWaalsContact C-N 3.28Å; F9-N11 PolarHBondContact O-N 3.33Å
12Y96.1Very high93.2Very high60 Ų6071.8 Ų71.824%0.23538%0.379CS..THydrogen-bonded Turntrans-118.58.9-174.8-57.4-66.7000113.1V8 F9 S10 L27 L28 E31V8-Y12 HydrophobicContact CG1-CD2 4.23Å; V8-Y12 HydrophobicContact CG1-CE2 4.16Å; V8-Y12 WeakPolarHBondContact O-CD2 3.49Å; F9-Y12 CarbonylContact O-C 3.6Å; F9-Y12 PolarHBondContact O-N 3.08Å; F9-Y12 VanDerWaalsContact O-N 3.14Å; S10-Y12 PolarHBondContact O-N 3.3Å; Y12-L27 HydrophobicContact CD1-CB 3.54Å; Y12-L27 HydrophobicContact CD1-CD1 3.89Å; Y12-L27 HydrophobicContact CD1-CG 4.39Å; Y12-L27 HydrophobicContact CE1-CB 3.47Å; Y12-L27 VanDerWaalsContact CE1-CB 3.47Å; Y12-L27 HydrophobicContact CE1-CD1 4.01Å; Y12-L27 HydrophobicContact CE1-CG 4.35Å; Y12-L27 HydrophobicContact CG-CB 4.14Å; Y12-L28 HydrophobicContact CD2-CB 3.75Å; Y12-L28 HydrophobicContact CE2-CB 4.38Å; Y12-L28 HydrophobicContact CG-CB 4.35Å; Y12-E31 HydrophobicContact CE2-CB 3.89Å; Y12-E31 HydrophobicContact CE2-CG 4.19Å
13S95.8Very high93.9Very high24 Ų2470.8 Ų70.817%0.16838%0.376CS..  trans-70.5149.3175.8-60.20000110.5F9 Y19F9-S13 VanDerWaalsContact CD1-OG 3.26Å; F9-S13 WeakPolarHBondContact CD1-OG 3.5Å; F9-S13 WeakPolarHBondContact CE1-OG 3.3Å; F9-S13 PolarHBondContact O-N 3.02Å; F9-S13 PolarHBondContact O-OG 2.92Å; S13-Y19 CarbonylContact C-O 3.55Å; S13-Y19 VanDerWaalsContact CA-O 3.24Å; S13-Y19 WeakPolarHBondContact CA-O 3.38Å
14C94Very high94.3Very high33 Ų3366.4 Ų66.422%0.22335%0.346CS..  trans-57.6166.3166.9-62.60000110.5D16 G17 Y19C14-D16 PolarHBondContact O-N 3.38Å; C14-G17 PolarHBondContact O-N 3.37Å; C14-Y19 PolarHBondContact N-O 2.99Å
15P92Very high94.6Very high148 Ų14862.8 Ų62.896%0.96133%0.33SS*.THydrogen-bonded Turntrans-56.1-22-176.5-28.936.5000115.9G17P15-G17 VanDerWaalsContact C-N 3.27Å
16D90.2Very high94.7Very high89 Ų8965.7 Ų65.748%0.47634%0.343SS..THydrogen-bonded Turntrans-74.1-1617461.414.6000113.6C14 L18 Y19C14-D16 PolarHBondContact O-N 3.38Å; D16-L18 HydrophobicContact CB-CB 4.49Å; D16-L18 HydrophobicContact CB-CD1 4.38Å; D16-L18 HydrophobicContact CB-CG 4.23Å; D16-L18 PolarHBondContact O-N 3.41Å; D16-L18 PolarHBondContact OD1-N 2.83Å; D16-Y19 PolarHBondContact OD1-N 2.62Å
17G92.5Very high94.7Very high43 Ų4362.4 Ų62.444%0.44334%0.336SS..SBendtrans70.76.7-175.400000114.4C14 P15C14-G17 PolarHBondContact O-N 3.37Å; P15-G17 VanDerWaalsContact C-N 3.27Å
18L94.1Very high94.7Very high104 Ų10456 Ų5655%0.54531%0.308SS..SBendtrans-97.5-37.6-172-62.9179.9000112.3D16D16-L18 HydrophobicContact CB-CB 4.49Å; D16-L18 HydrophobicContact CB-CD1 4.38Å; D16-L18 HydrophobicContact CB-CG 4.23Å; D16-L18 PolarHBondContact O-N 3.41Å; D16-L18 PolarHBondContact OD1-N 2.83Å
19Y96.2Very high94.7Very high46 Ų4656 Ų5618%0.1831%0.308CS..  trans-123.3151.5-174.3-57.4-83.4000111.8S13 C14 D16 E50 I58 I60 T61S13-Y19 CarbonylContact C-O 3.55Å; S13-Y19 VanDerWaalsContact CA-O 3.24Å; S13-Y19 WeakPolarHBondContact CA-O 3.38Å; C14-Y19 PolarHBondContact N-O 2.99Å; D16-Y19 PolarHBondContact OD1-N 2.62Å; Y19-E50 HydrophobicContact CE1-CB 4.35Å; Y19-I58 HydrophobicContact CD1-CG2 4.15Å; Y19-I58 HydrophobicContact CD2-CG2 3.93Å; Y19-I58 HydrophobicContact CE1-CG2 4.35Å; Y19-I58 HydrophobicContact CE2-CG2 4.16Å; Y19-I58 HydrophobicContact CG-CG2 3.93Å; Y19-I60 CarbonylContact C-O 3.57Å; Y19-I60 WeakPolarHBondContact CA-O 3.37Å; Y19-T61 HydrophobicContact CD1-CG2 3.84Å; Y19-T61 HydrophobicContact CE1-CG2 3.52Å
20V96.8Very high94.5Very high0 Ų058.6 Ų58.60%032%0.321CS..BIsolated β-bridgetrans-111.8120.7163.5175.20000107.2F9 C25 G59 I60F9-V20 HydrophobicContact CD1-CG2 4.45Å; F9-V20 HydrophobicContact CD2-CG2 3.57Å; F9-V20 HydrophobicContact CE1-CG2 4.27Å; F9-V20 HydrophobicContact CE2-CB 4.11Å; F9-V20 HydrophobicContact CE2-CG2 3.37Å; F9-V20 HydrophobicContact CG-CG2 4.12Å; F9-V20 HydrophobicContact CZ-CG2 3.74Å; V20-C25 VanDerWaalsContact CG1-N 3.29Å; V20-G59 CarbonylContact O-C 3.48Å; V20-G59 VanDerWaalsContact O-CA 3.25Å; V20-G59 WeakPolarHBondContact O-CA 3.47Å; V20-I60 HydrophobicContact CB-CD1 4.42Å; V20-I60 HydrophobicContact CB-CG1 3.83Å; V20-I60 HydrophobicContact CG1-CG1 4.48Å; V20-I60 PolarHBondContact N-O 3.2Å; V20-I60 PolarHBondContact O-N 3.32Å
21D95Very high94.2Very high71 Ų7159.1 Ų59.138%0.3832%0.316SS..  trans-72.4-179.6178.17326000112.1E23 G24 C25D21-E23 VanDerWaalsContact C-N 3.28Å; D21-E23 PolarHBondContact O-N 2.83Å; D21-E23 WeakPolarHBondContact OD1-CA 3.45Å; D21-E23 PolarHBondContact OD1-N 2.86Å; D21-G24 PolarHBondContact O-N 2.85Å; D21-G24 PolarHBondContact OD1-N 2.64Å; D21-C25 WeakPolarHBondContact O-CB 3.34Å; D21-C25 PolarHBondContact O-N 2.85Å; D21-C25 PolarHBondContact O-SG 3.42Å
22K94.6Very high93.9Very high133 Ų13354.9 Ų54.958%0.57829%0.293SS*.Hα-helixtrans-59.5-34.2-179.2179.2175.1179.5-178.10114M42 L46K22-M42 HydrophobicContact CG-CE 4.33Å; K22-L46 HydrophobicContact CB-CD2 4.28Å; K22-L46 HydrophobicContact CD-CD1 4.21Å; K22-L46 HydrophobicContact CG-CD1 4.05Å; K22-L46 HydrophobicContact CG-CD2 4.32Å
23E94.5Very high93.4Very high99 Ų9952.4 Ų52.446%0.46328%0.283SS..Hα-helixtrans-79.4-42.5179.7-167.859.4-150.700110.5D21 C25 K26 L27D21-E23 VanDerWaalsContact C-N 3.28Å; D21-E23 PolarHBondContact O-N 2.83Å; D21-E23 WeakPolarHBondContact OD1-CA 3.45Å; D21-E23 PolarHBondContact OD1-N 2.86Å; E23-C25 PolarHBondContact O-N 3.4Å; E23-K26 WeakPolarHBondContact O-CB 3.45Å; E23-K26 PolarHBondContact O-N 3.4Å; E23-K26 IonicContact OE1-NZ 2.64Å; E23-K26 WeakPolarHBondContact OE2-CE 3.35Å; E23-K26 IonicContact OE2-NZ 3.48Å; E23-K26 PolarHBondContact OE2-NZ 2.98Å; E23-L27 PolarHBondContact O-N 2.64Å
24G95.9Very high92.8Very high6 Ų654.6 Ų54.66%0.06231%0.309CS..Hα-helixtrans-56-38171.200000112.1D21 K26 L27 L28D21-G24 PolarHBondContact O-N 2.85Å; D21-G24 PolarHBondContact OD1-N 2.64Å; G24-K26 VanDerWaalsContact C-N 3.29Å; G24-K26 PolarHBondContact O-N 3.44Å; G24-L27 PolarHBondContact O-N 3.07Å; G24-L28 WeakPolarHBondContact O-CB 3.11Å; G24-L28 PolarHBondContact O-N 3.01Å
25C96.3Very high92.4Very high0 Ų057.1 Ų57.10%031%0.314CS..Hα-helixtrans-59.7-37.2174.8-72.50000112.5V20 D21 E23 F29 M42 I45 I60V20-C25 VanDerWaalsContact CG1-N 3.29Å; D21-C25 WeakPolarHBondContact O-CB 3.34Å; D21-C25 PolarHBondContact O-N 2.85Å; D21-C25 PolarHBondContact O-SG 3.42Å; E23-C25 PolarHBondContact O-N 3.4Å; C25-F29 WeakPolarHBondContact O-CB 3.29Å; C25-F29 PolarHBondContact O-N 3.39Å; C25-M42 HydrophobicContact CB-CE 3.94Å; C25-I45 HydrophobicContact CB-CG2 4.05Å; C25-I60 WeakPolarHBondContact SG-CD1 3.45Å
26K95.7Very high92.2Very high71 Ų7158.2 Ų58.231%0.30930%0.304SS..Hα-helixtrans-69.2-44.4176.8-63174.8-169161.30111.1E23 G24 F29 I30 P37 M42E23-K26 WeakPolarHBondContact O-CB 3.45Å; E23-K26 PolarHBondContact O-N 3.4Å; E23-K26 IonicContact OE1-NZ 2.64Å; E23-K26 WeakPolarHBondContact OE2-CE 3.35Å; E23-K26 IonicContact OE2-NZ 3.48Å; E23-K26 PolarHBondContact OE2-NZ 2.98Å; G24-K26 VanDerWaalsContact C-N 3.29Å; G24-K26 PolarHBondContact O-N 3.44Å; K26-F29 PolarHBondContact O-N 3.02Å; K26-I30 VanDerWaalsContact O-CG1 3.28Å; K26-I30 WeakPolarHBondContact O-CG1 3.42Å; K26-I30 PolarHBondContact O-N 2.96Å; K26-P37 HydrophobicContact CB-CG 4.46Å; K26-P37 HydrophobicContact CG-CG 4.33Å; K26-M42 HydrophobicContact CG-CE 3.93Å; K26-M42 HydrophobicContact CG-SD 3.76Å
27L95Very high92.3Very high75 Ų7555 Ų5539%0.39329%0.287SS..Hα-helixtrans-65.1-43.3-179.9-63.4178.3000111.2Y12 E23 G24 F29 I30 E31Y12-L27 HydrophobicContact CD1-CB 3.54Å; Y12-L27 HydrophobicContact CD1-CD1 3.89Å; Y12-L27 HydrophobicContact CD1-CG 4.39Å; Y12-L27 HydrophobicContact CE1-CB 3.47Å; Y12-L27 VanDerWaalsContact CE1-CB 3.47Å; Y12-L27 HydrophobicContact CE1-CD1 4.01Å; Y12-L27 HydrophobicContact CE1-CG 4.35Å; Y12-L27 HydrophobicContact CG-CB 4.14Å; E23-L27 PolarHBondContact O-N 2.64Å; G24-L27 PolarHBondContact O-N 3.07Å; L27-F29 VanDerWaalsContact C-N 3.33Å; L27-F29 PolarHBondContact O-N 3.45Å; L27-I30 WeakPolarHBondContact O-CB 3.44Å; L27-I30 PolarHBondContact O-N 3.44Å; L27-E31 PolarHBondContact O-N 2.89Å
28L93.8Very high92.2Very high3 Ų356.4 Ų56.42%0.01629%0.285CS..Hα-helixtrans-59.8-42.7172.5168.3156000111.4V8 F9 Y12 G24 I30 E31 L32 F65V8-L28 HydrophobicContact CG1-CB 4.3Å; V8-L28 HydrophobicContact CG1-CD1 4.19Å; V8-L28 HydrophobicContact CG1-CG 3.79Å; F9-L28 HydrophobicContact CD2-CD1 4.46Å; Y12-L28 HydrophobicContact CD2-CB 3.75Å; Y12-L28 HydrophobicContact CE2-CB 4.38Å; Y12-L28 HydrophobicContact CG-CB 4.35Å; G24-L28 WeakPolarHBondContact O-CB 3.11Å; G24-L28 PolarHBondContact O-N 3.01Å; L28-I30 VanDerWaalsContact C-N 3.33Å; L28-I30 PolarHBondContact O-N 3.22Å; L28-E31 PolarHBondContact O-N 3.28Å; L28-L32 HydrophobicContact CD2-CD1 3.64Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.85Å; L28-F65 HydrophobicContact CD1-CD1 4.4Å; L28-F65 HydrophobicContact CD1-CD2 3.69Å; L28-F65 HydrophobicContact CD1-CE1 4.23Å; L28-F65 HydrophobicContact CD1-CE2 3.56Å; L28-F65 HydrophobicContact CD1-CG 4.12Å; L28-F65 HydrophobicContact CD1-CZ 3.82Å; L28-F65 HydrophobicContact CD2-CD2 3.75Å; L28-F65 HydrophobicContact CD2-CE2 3.28Å; L28-F65 HydrophobicContact CD2-CZ 4.09Å; L28-F65 HydrophobicContact CG-CD2 4.26Å; L28-F65 HydrophobicContact CG-CE2 3.75Å; L28-F65 HydrophobicContact CG-CZ 4.11Å
29F93.4Very high92.2Very high0 Ų059.3 Ų59.30%029%0.293CS..Hα-helixtrans-62.9-40.2175.4-170.2-79.3000111.8C25 K26 L27 L32 Y33 R35 P37 E41 I45 L72 F76C25-F29 WeakPolarHBondContact O-CB 3.29Å; C25-F29 PolarHBondContact O-N 3.39Å; K26-F29 PolarHBondContact O-N 3.02Å; L27-F29 VanDerWaalsContact C-N 3.33Å; L27-F29 PolarHBondContact O-N 3.45Å; F29-L32 PolarHBondContact O-N 3.45Å; F29-Y33 HydrophobicContact CB-CD2 4.43Å; F29-Y33 AromaticContact CD1-CD2 3.78Å; F29-Y33 HydrophobicContact CD1-CD2 3.78Å; F29-Y33 HydrophobicContact CD1-CG 4.4Å; F29-Y33 AromaticContact CD2-CD2 3.43Å; F29-Y33 HydrophobicContact CD2-CD2 3.43Å; F29-Y33 VanDerWaalsContact CD2-CD2 3.43Å; F29-Y33 AromaticContact CD2-CE2 3.58Å; F29-Y33 HydrophobicContact CD2-CE2 3.58Å; F29-Y33 AromaticContact CE1-CD2 3.79Å; F29-Y33 HydrophobicContact CE1-CD2 3.79Å; F29-Y33 HydrophobicContact CE1-CG 4.13Å; F29-Y33 AromaticContact CE2-CD2 3.5Å; F29-Y33 HydrophobicContact CE2-CD2 3.5Å; F29-Y33 VanDerWaalsContact CE2-CD2 3.5Å; F29-Y33 AromaticContact CE2-CE2 3.63Å; F29-Y33 HydrophobicContact CE2-CE2 3.63Å; F29-Y33 HydrophobicContact CE2-CG 4.36Å; F29-Y33 AromaticContact CG-CD2 3.62Å; F29-Y33 HydrophobicContact CG-CD2 3.62Å; F29-Y33 HydrophobicContact CG-CE2 4.19Å; F29-Y33 AromaticContact CZ-CD2 3.68Å; F29-Y33 HydrophobicContact CZ-CD2 3.68Å; F29-Y33 HydrophobicContact CZ-CE2 4.22Å; F29-Y33 HydrophobicContact CZ-CG 4.13Å; F29-Y33 WeakPolarHBondContact O-CB 3.45Å; F29-Y33 WeakPolarHBondContact O-CD2 3.37Å; F29-Y33 PolarHBondContact O-N 3.33Å; F29-R35 VanDerWaalsContact CD1-O 3.27Å; F29-R35 WeakPolarHBondContact CD1-O 3.3Å; F29-R35 HydrophobicContact CE1-CG 4.19Å; F29-P37 HydrophobicContact CB-CB 4.28Å; F29-P37 HydrophobicContact CB-CG 4.01Å; F29-P37 HydrophobicContact CD1-CB 3.6Å; F29-P37 HydrophobicContact CD1-CG 3.95Å; F29-P37 HydrophobicContact CD2-CB 3.91Å; F29-P37 HydrophobicContact CE1-CB 3.78Å; F29-P37 HydrophobicContact CE2-CB 4.04Å; F29-P37 HydrophobicContact CG-CB 3.65Å; F29-P37 HydrophobicContact CG-CG 3.92Å; F29-P37 HydrophobicContact CZ-CB 3.98Å; F29-E41 HydrophobicContact CE2-CB 4.01Å; F29-E41 HydrophobicContact CE2-CG 4.28Å; F29-E41 HydrophobicContact CZ-CB 4.23Å; F29-E41 HydrophobicContact CZ-CG 4.2Å; F29-E41 WeakPolarHBondContact CZ-OE2 3.41Å; F29-I45 HydrophobicContact CB-CD1 4.35Å; F29-I45 HydrophobicContact CD2-CD1 3.53Å; F29-I45 HydrophobicContact CE2-CD1 4.26Å; F29-I45 HydrophobicContact CG-CD1 4.33Å; F29-L72 HydrophobicContact CD2-CD1 4.12Å; F29-L72 HydrophobicContact CE2-CD1 3.81Å; F29-L72 HydrophobicContact CE2-CD2 4.41Å; F29-F76 HydrophobicContact CZ-CZ 4.13Å
30I91.6Very high92Very high60 Ų6062.7 Ų62.731%0.30831%0.311SS..Hα-helixtrans-63.7-43.6175.7-66.2160.5000111K26 L27 L28 L32 G34 R35 K36K26-I30 VanDerWaalsContact O-CG1 3.28Å; K26-I30 WeakPolarHBondContact O-CG1 3.42Å; K26-I30 PolarHBondContact O-N 2.96Å; L27-I30 WeakPolarHBondContact O-CB 3.44Å; L27-I30 PolarHBondContact O-N 3.44Å; L28-I30 VanDerWaalsContact C-N 3.33Å; L28-I30 PolarHBondContact O-N 3.22Å; I30-L32 VanDerWaalsContact C-N 3.3Å; I30-L32 PolarHBondContact O-N 3.42Å; I30-G34 WeakPolarHBondContact O-CA 3.5Å; I30-G34 PolarHBondContact O-N 3.21Å; I30-R35 WeakPolarHBondContact CA-O 3.39Å; I30-R35 WeakPolarHBondContact CG1-O 3.34Å; I30-K36 HydrophobicContact CD1-CG 4Å; I30-K36 HydrophobicContact CG1-CG 4.23Å
31E90.1Very high91.8Very high86 Ų8663.1 Ų63.140%0.40231%0.313SS..Hα-helixtrans-61.9-39.2178-176.568.1-17400111.8V8 Y12 L27 L28V8-E31 HydrophobicContact CG1-CB 4.2Å; V8-E31 HydrophobicContact CG1-CG 4Å; V8-E31 HydrophobicContact CG2-CG 3.92Å; Y12-E31 HydrophobicContact CE2-CB 3.89Å; Y12-E31 HydrophobicContact CE2-CG 4.19Å; L27-E31 PolarHBondContact O-N 2.89Å; L28-E31 PolarHBondContact O-N 3.28Å
32L89.4Confident91.9Very high1 Ų160.7 Ų60.71%0.00530%0.299CS..Hα-helixtrans-77.8-41.7-178.2-72.7-179.4000113.6F4 L5 V8 L28 F29 I30 F65 V69 M151F4-L32 HydrophobicContact CD1-CD2 4.45Å; F4-L32 HydrophobicContact CE1-CD2 3.6Å; F4-L32 HydrophobicContact CZ-CD2 4.18Å; L5-L32 HydrophobicContact CD2-CD1 4.5Å; L5-L32 HydrophobicContact CD2-CD2 3.76Å; V8-L32 HydrophobicContact CB-CD2 4.19Å; V8-L32 HydrophobicContact CG1-CD2 3.9Å; V8-L32 HydrophobicContact CG1-CG 4.08Å; V8-L32 HydrophobicContact CG2-CD2 3.92Å; L28-L32 HydrophobicContact CD2-CD1 3.64Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.85Å; F29-L32 PolarHBondContact O-N 3.45Å; I30-L32 VanDerWaalsContact C-N 3.3Å; I30-L32 PolarHBondContact O-N 3.42Å; L32-F65 HydrophobicContact CD1-CE2 3.45Å; L32-F65 VanDerWaalsContact CD1-CE2 3.45Å; L32-F65 HydrophobicContact CD1-CZ 3.49Å; L32-F65 VanDerWaalsContact CD1-CZ 3.49Å; L32-V69 HydrophobicContact CD1-CG2 4.01Å; L32-M151 HydrophobicContact CB-CE 3.51Å; L32-M151 HydrophobicContact CD1-CE 3.4Å; L32-M151 HydrophobicContact CD2-CE 3.47Å; L32-M151 VanDerWaalsContact CD2-CE 3.47Å; L32-M151 HydrophobicContact CG-CE 3.56Å
33Y85.6Confident91.9Very high9 Ų961.3 Ų61.34%0.03530%0.302CS..Hα-helixtrans-117.4-0.3-166.9-58.8-71.3000113.7F29 R35 L72 F76 F149 M151F29-Y33 HydrophobicContact CB-CD2 4.43Å; F29-Y33 AromaticContact CD1-CD2 3.78Å; F29-Y33 HydrophobicContact CD1-CD2 3.78Å; F29-Y33 HydrophobicContact CD1-CG 4.4Å; F29-Y33 AromaticContact CD2-CD2 3.43Å; F29-Y33 HydrophobicContact CD2-CD2 3.43Å; F29-Y33 VanDerWaalsContact CD2-CD2 3.43Å; F29-Y33 AromaticContact CD2-CE2 3.58Å; F29-Y33 HydrophobicContact CD2-CE2 3.58Å; F29-Y33 AromaticContact CE1-CD2 3.79Å; F29-Y33 HydrophobicContact CE1-CD2 3.79Å; F29-Y33 HydrophobicContact CE1-CG 4.13Å; F29-Y33 AromaticContact CE2-CD2 3.5Å; F29-Y33 HydrophobicContact CE2-CD2 3.5Å; F29-Y33 VanDerWaalsContact CE2-CD2 3.5Å; F29-Y33 AromaticContact CE2-CE2 3.63Å; F29-Y33 HydrophobicContact CE2-CE2 3.63Å; F29-Y33 HydrophobicContact CE2-CG 4.36Å; F29-Y33 AromaticContact CG-CD2 3.62Å; F29-Y33 HydrophobicContact CG-CD2 3.62Å; F29-Y33 HydrophobicContact CG-CE2 4.19Å; F29-Y33 AromaticContact CZ-CD2 3.68Å; F29-Y33 HydrophobicContact CZ-CD2 3.68Å; F29-Y33 HydrophobicContact CZ-CE2 4.22Å; F29-Y33 HydrophobicContact CZ-CG 4.13Å; F29-Y33 WeakPolarHBondContact O-CB 3.45Å; F29-Y33 WeakPolarHBondContact O-CD2 3.37Å; F29-Y33 PolarHBondContact O-N 3.33Å; Y33-R35 PolarHBondContact O-N 2.96Å; Y33-R35 VanDerWaalsContact O-N 3.12Å; Y33-L72 HydrophobicContact CE2-CD1 4.07Å; Y33-F76 HydrophobicContact CD1-CE2 4Å; Y33-F76 HydrophobicContact CE1-CD2 4.17Å; Y33-F76 AromaticContact CE1-CE2 3.7Å; Y33-F76 HydrophobicContact CE1-CE2 3.7Å; Y33-F149 HydrophobicContact CD1-CB 4.25Å; Y33-F149 AromaticContact CD1-CD1 3.44Å; Y33-F149 HydrophobicContact CD1-CD1 3.44Å; Y33-F149 VanDerWaalsContact CD1-CD1 3.44Å; Y33-F149 AromaticContact CD1-CE1 3.83Å; Y33-F149 HydrophobicContact CD1-CE1 3.83Å; Y33-F149 AromaticContact CD1-CG 3.9Å; Y33-F149 HydrophobicContact CD1-CG 3.9Å; Y33-F149 AromaticContact CG-CD1 3.99Å; Y33-F149 HydrophobicContact CG-CD1 3.99Å; Y33-F149 HydrophobicContact CG-CE1 4.2Å; Y33-F149 WeakPolarHBondContact O-CD1 3.4Å; Y33-M151 HydrophobicContact CE1-CE 4.02Å; Y33-M151 HydrophobicContact CE1-SD 3.98Å; Y33-M151 HydrophobicContact CE2-CE 4.3Å
34G82.2Confident91.9Very high69 Ų6957.8 Ų57.871%0.71129%0.288SS*.SBendtrans69.83.8176.900000115.3I30I30-G34 WeakPolarHBondContact O-CA 3.5Å; I30-G34 PolarHBondContact O-N 3.21Å
35R86Confident91.9Very high87 Ų8757.5 Ų57.533%0.32829%0.285SS..SBendtrans-142.4165.1-178.168168.7178.480.3-0.5112.5F29 I30 Y33 E41F29-R35 VanDerWaalsContact CD1-O 3.27Å; F29-R35 WeakPolarHBondContact CD1-O 3.3Å; F29-R35 HydrophobicContact CE1-CG 4.19Å; I30-R35 WeakPolarHBondContact CA-O 3.39Å; I30-R35 WeakPolarHBondContact CG1-O 3.34Å; Y33-R35 PolarHBondContact O-N 2.96Å; Y33-R35 VanDerWaalsContact O-N 3.12Å; R35-E41 IonicContact CZ-OE1 2.73Å; R35-E41 IonicContact CZ-OE2 2.64Å; R35-E41 IonicContact NH1-OE1 3.93Å; R35-E41 PolarHBondContact NH1-OE1 3.23Å; R35-E41 IonicContact NH1-OE2 3.4Å; R35-E41 PolarHBondContact NH1-OE2 2.87Å; R35-E41 VanDerWaalsContact NH2-CD 3.33Å; R35-E41 IonicContact NH2-OE1 2.69Å; R35-E41 PolarHBondContact NH2-OE1 3.19Å; R35-E41 IonicContact NH2-OE2 3.89Å; R35-E41 PolarHBondContact NH2-OE2 3.41Å
36K88.1Confident91.8Very high171 Ų17159.9 Ų59.974%0.74330%0.297SS*.  trans-69.8140.8171.8-68.7-173.3177.3179.60110.5I30I30-K36 HydrophobicContact CD1-CG 4Å; I30-K36 HydrophobicContact CG1-CG 4.23Å
37P91.6Very high91.8Very high21 Ų2160.4 Ų60.414%0.13631%0.31CS..  trans-71146.2172.127.6-31.4000111K26 F29 E41 M42K26-P37 HydrophobicContact CB-CG 4.46Å; K26-P37 HydrophobicContact CG-CG 4.33Å; F29-P37 HydrophobicContact CB-CB 4.28Å; F29-P37 HydrophobicContact CB-CG 4.01Å; F29-P37 HydrophobicContact CD1-CB 3.6Å; F29-P37 HydrophobicContact CD1-CG 3.95Å; F29-P37 HydrophobicContact CD2-CB 3.91Å; F29-P37 HydrophobicContact CE1-CB 3.78Å; F29-P37 HydrophobicContact CE2-CB 4.04Å; F29-P37 HydrophobicContact CG-CB 3.65Å; F29-P37 HydrophobicContact CG-CG 3.92Å; F29-P37 HydrophobicContact CZ-CB 3.98Å; P37-E41 VanDerWaalsContact CA-OE2 3.27Å; P37-E41 WeakPolarHBondContact CA-OE2 3.36Å; P37-E41 HydrophobicContact CB-CB 3.99Å; P37-M42 HydrophobicContact CB-CG 3.84Å; P37-M42 HydrophobicContact CB-SD 3.88Å; P37-M42 HydrophobicContact CG-CG 3.68Å; P37-M42 HydrophobicContact CG-SD 3.34Å; P37-M42 WeakPolarHBondContact CG-SD 3.39Å
38N91.3Very high91.9Very high72 Ų7259.3 Ų59.339%0.38530%0.302SS..  trans-79.8-179.1167.66637000111.1E40 E41 M42N38-E40 VanDerWaalsContact C-N 3.32Å; N38-E40 PolarHBondContact O-N 3.2Å; N38-E40 WeakPolarHBondContact OD1-CB 3.32Å; N38-E40 PolarHBondContact OD1-N 3.33Å; N38-E40 VanDerWaalsContact OD1-N 3.09Å; N38-E40 PolarHBondContact OD1-OE2 3.48Å; N38-E41 VanDerWaalsContact CG-CD 3.45Å; N38-E41 PolarHBondContact N-OE2 3.36Å; N38-E41 VanDerWaalsContact ND2-CD 3.27Å; N38-E41 PolarHBondContact ND2-OE1 2.9Å; N38-E41 PolarHBondContact ND2-OE2 2.97Å; N38-E41 WeakPolarHBondContact OD1-CB 3.47Å; N38-E41 VanDerWaalsContact OD1-CG 3.3Å; N38-E41 WeakPolarHBondContact OD1-CG 3.39Å; N38-E41 PolarHBondContact OD1-N 3.26Å; N38-M42 PolarHBondContact O-N 3.39Å
39K93.2Very high92Very high165 Ų16560.5 Ų60.572%0.71731%0.311SS*.Hα-helixtrans-66-37.3-176.6-71.7-178-179.5175.50111.7K43K39-K43 WeakPolarHBondContact O-CB 3.35Å; K39-K43 VanDerWaalsContact O-CG 3.26Å; K39-K43 WeakPolarHBondContact O-CG 3.2Å; K39-K43 PolarHBondContact O-N 3.2Å
40E91.7Very high92Very high118 Ų11864.7 Ų64.755%0.55133%0.33SS*.Hα-helixtrans-69.6-42.3-177.8-66.960.3-134.400110.8N38 K43 C44N38-E40 VanDerWaalsContact C-N 3.32Å; N38-E40 PolarHBondContact O-N 3.2Å; N38-E40 WeakPolarHBondContact OD1-CB 3.32Å; N38-E40 PolarHBondContact OD1-N 3.33Å; N38-E40 VanDerWaalsContact OD1-N 3.09Å; N38-E40 PolarHBondContact OD1-OE2 3.48Å; E40-K43 WeakPolarHBondContact O-CB 3.37Å; E40-K43 PolarHBondContact O-N 2.86Å; E40-C44 PolarHBondContact O-N 3.35Å
41E93.5Very high92.1Very high9 Ų965.1 Ų65.14%0.04234%0.339CS..Hα-helixtrans-66.2-43.6175.1-72.1158.117700111.6F29 R35 P37 N38 K43 C44 I45 L72 F76F29-E41 HydrophobicContact CE2-CB 4.01Å; F29-E41 HydrophobicContact CE2-CG 4.28Å; F29-E41 HydrophobicContact CZ-CB 4.23Å; F29-E41 HydrophobicContact CZ-CG 4.2Å; F29-E41 WeakPolarHBondContact CZ-OE2 3.41Å; R35-E41 IonicContact CZ-OE1 2.73Å; R35-E41 IonicContact CZ-OE2 2.64Å; R35-E41 IonicContact NH1-OE1 3.93Å; R35-E41 PolarHBondContact NH1-OE1 3.23Å; R35-E41 IonicContact NH1-OE2 3.4Å; R35-E41 PolarHBondContact NH1-OE2 2.87Å; R35-E41 VanDerWaalsContact NH2-CD 3.33Å; R35-E41 IonicContact NH2-OE1 2.69Å; R35-E41 PolarHBondContact NH2-OE1 3.19Å; R35-E41 IonicContact NH2-OE2 3.89Å; R35-E41 PolarHBondContact NH2-OE2 3.41Å; P37-E41 VanDerWaalsContact CA-OE2 3.27Å; P37-E41 WeakPolarHBondContact CA-OE2 3.36Å; P37-E41 HydrophobicContact CB-CB 3.99Å; N38-E41 VanDerWaalsContact CG-CD 3.45Å; N38-E41 PolarHBondContact N-OE2 3.36Å; N38-E41 VanDerWaalsContact ND2-CD 3.27Å; N38-E41 PolarHBondContact ND2-OE1 2.9Å; N38-E41 PolarHBondContact ND2-OE2 2.97Å; N38-E41 WeakPolarHBondContact OD1-CB 3.47Å; N38-E41 VanDerWaalsContact OD1-CG 3.3Å; N38-E41 WeakPolarHBondContact OD1-CG 3.39Å; N38-E41 PolarHBondContact OD1-N 3.26Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 3.47Å; E41-C44 WeakPolarHBondContact O-CB 3.28Å; E41-C44 PolarHBondContact O-N 2.98Å; E41-C44 VanDerWaalsContact O-N 3.16Å; E41-I45 VanDerWaalsContact O-CG1 3.31Å; E41-I45 WeakPolarHBondContact O-CG1 3.4Å; E41-I45 PolarHBondContact O-N 2.95Å; E41-L72 HydrophobicContact CB-CD2 4.23Å; E41-L72 HydrophobicContact CG-CD2 3.97Å; E41-F76 HydrophobicContact CG-CZ 4.49Å; E41-F76 WeakPolarHBondContact OE1-CE1 3.33Å
42M95.7Very high92.2Very high20 Ų2064.2 Ų64.210%0.09934%0.336CS..Hα-helixtrans-62.4-40.4173.4-77.8-54.9-57.900111.8K22 C25 K26 P37 N38 C44 I45 L46K22-M42 HydrophobicContact CG-CE 4.33Å; C25-M42 HydrophobicContact CB-CE 3.94Å; K26-M42 HydrophobicContact CG-CE 3.93Å; K26-M42 HydrophobicContact CG-SD 3.76Å; P37-M42 HydrophobicContact CB-CG 3.84Å; P37-M42 HydrophobicContact CB-SD 3.88Å; P37-M42 HydrophobicContact CG-CG 3.68Å; P37-M42 HydrophobicContact CG-SD 3.34Å; P37-M42 WeakPolarHBondContact CG-SD 3.39Å; N38-M42 PolarHBondContact O-N 3.39Å; M42-C44 VanDerWaalsContact C-N 3.3Å; M42-C44 PolarHBondContact O-N 2.85Å; M42-I45 PolarHBondContact O-N 2.97Å; M42-I45 HydrophobicContact SD-CD1 4.19Å; M42-L46 HydrophobicContact CE-CD1 3.88Å; M42-L46 HydrophobicContact CE-CD2 4.25Å; M42-L46 HydrophobicContact CE-CG 3.98Å; M42-L46 VanDerWaalsContact O-CB 3.29Å; M42-L46 WeakPolarHBondContact O-CB 3.01Å; M42-L46 WeakPolarHBondContact O-CG 3.02Å; M42-L46 PolarHBondContact O-N 2.69Å
43K95Very high92.3Very high145 Ų14573 Ų7363%0.6338%0.382SS*.Hα-helixtrans-60.8-41.1173.6-77.5172-179.4177.50111.4K39 E40 E41 S47K39-K43 WeakPolarHBondContact O-CB 3.35Å; K39-K43 VanDerWaalsContact O-CG 3.26Å; K39-K43 WeakPolarHBondContact O-CG 3.2Å; K39-K43 PolarHBondContact O-N 3.2Å; E40-K43 WeakPolarHBondContact O-CB 3.37Å; E40-K43 PolarHBondContact O-N 2.86Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 3.47Å; K43-S47 WeakPolarHBondContact O-CB 3.44Å; K43-S47 PolarHBondContact O-N 2.88Å
44C94.5Very high92.6Very high25 Ų2579.3 Ų79.317%0.16942%0.417CS..Hα-helixtrans-59.5-48.9175.4-177.30000111.3E40 E41 M42 S47 F48 L72E40-C44 PolarHBondContact O-N 3.35Å; E41-C44 WeakPolarHBondContact O-CB 3.28Å; E41-C44 PolarHBondContact O-N 2.98Å; E41-C44 VanDerWaalsContact O-N 3.16Å; M42-C44 VanDerWaalsContact C-N 3.3Å; M42-C44 PolarHBondContact O-N 2.85Å; C44-S47 PolarHBondContact O-N 3.38Å; C44-S47 PolarHBondContact O-OG 3.19Å; C44-F48 VanDerWaalsContact O-CD2 3.28Å; C44-F48 WeakPolarHBondContact O-CD2 3.43Å; C44-F48 WeakPolarHBondContact O-CE2 3.39Å; C44-L72 HydrophobicContact CB-CD2 4.27Å
45I95.7Very high93Very high1 Ų178.2 Ų78.21%0.00541%0.405CS..Hα-helixtrans-64.8-49-179.7-59.9160.6000110.9C25 F29 E41 M42 S47 F48 I60 L72C25-I45 HydrophobicContact CB-CG2 4.05Å; F29-I45 HydrophobicContact CB-CD1 4.35Å; F29-I45 HydrophobicContact CD2-CD1 3.53Å; F29-I45 HydrophobicContact CE2-CD1 4.26Å; F29-I45 HydrophobicContact CG-CD1 4.33Å; E41-I45 VanDerWaalsContact O-CG1 3.31Å; E41-I45 WeakPolarHBondContact O-CG1 3.4Å; E41-I45 PolarHBondContact O-N 2.95Å; M42-I45 PolarHBondContact O-N 2.97Å; M42-I45 HydrophobicContact SD-CD1 4.19Å; I45-S47 PolarHBondContact O-N 2.67Å; I45-F48 PolarHBondContact O-N 3.35Å; I45-F48 VanDerWaalsContact O-N 3.16Å; I45-I60 HydrophobicContact CG2-CD1 3.84Å; I45-L72 HydrophobicContact CD1-CD1 4.21Å; I45-L72 HydrophobicContact CG1-CD1 3.85Å
46L95.6Very high93.3Very high50 Ų5079.9 Ų79.926%0.26242%0.417SS..Hα-helixtrans-72-13.4-176.8-62.3174.6000113.3K22 M42 F48 S49K22-L46 HydrophobicContact CB-CD2 4.28Å; K22-L46 HydrophobicContact CD-CD1 4.21Å; K22-L46 HydrophobicContact CG-CD1 4.05Å; K22-L46 HydrophobicContact CG-CD2 4.32Å; M42-L46 HydrophobicContact CE-CD1 3.88Å; M42-L46 HydrophobicContact CE-CD2 4.25Å; M42-L46 HydrophobicContact CE-CG 3.98Å; M42-L46 VanDerWaalsContact O-CB 3.29Å; M42-L46 WeakPolarHBondContact O-CB 3.01Å; M42-L46 WeakPolarHBondContact O-CG 3.02Å; M42-L46 PolarHBondContact O-N 2.69Å; L46-F48 PolarHBondContact O-N 3.45Å; L46-S49 VanDerWaalsContact O-CB 3.31Å; L46-S49 WeakPolarHBondContact O-CB 3.36Å; L46-S49 PolarHBondContact O-N 3.43Å; L46-S49 PolarHBondContact O-OG 2.91Å
47S95.6Very high93.4Very high81 Ų8176 Ų7657%0.56641%0.409SS*.THydrogen-bonded Turntrans-63.6-16.5170.675.20000113K43 C44 I45K43-S47 WeakPolarHBondContact O-CB 3.44Å; K43-S47 PolarHBondContact O-N 2.88Å; C44-S47 PolarHBondContact O-N 3.38Å; C44-S47 PolarHBondContact O-OG 3.19Å; I45-S47 PolarHBondContact O-N 2.67Å
48F96.2Very high93.4Very high53 Ų5378.2 Ų78.223%0.23242%0.419CS..THydrogen-bonded Turntrans-98.29.3174.6-62.4-82.5000113.5C44 I45 L46 I60 M71C44-F48 VanDerWaalsContact O-CD2 3.28Å; C44-F48 WeakPolarHBondContact O-CD2 3.43Å; C44-F48 WeakPolarHBondContact O-CE2 3.39Å; I45-F48 PolarHBondContact O-N 3.35Å; I45-F48 VanDerWaalsContact O-N 3.16Å; L46-F48 PolarHBondContact O-N 3.45Å; F48-I60 HydrophobicContact CB-CG2 4.45Å; F48-M71 HydrophobicContact CE2-SD 3.88Å; F48-M71 HydrophobicContact CZ-CG 4.37Å; F48-M71 HydrophobicContact CZ-SD 3.48Å; F48-M71 WeakPolarHBondContact CZ-SD 3.48Å
49S95.3Very high93.6Very high28 Ų2874.9 Ų74.920%0.19640%0.402CS..EExtended strand (participates in β ladder)trans-72.6136.5177.3-650000111L46 G59 I60L46-S49 VanDerWaalsContact O-CB 3.31Å; L46-S49 WeakPolarHBondContact O-CB 3.36Å; L46-S49 PolarHBondContact O-N 3.43Å; L46-S49 PolarHBondContact O-OG 2.91Å; S49-G59 CarbonylContact C-O 3.59Å; S49-G59 VanDerWaalsContact CA-O 3.29Å; S49-G59 WeakPolarHBondContact CA-O 3.47Å; S49-I60 WeakPolarHBondContact OG-CG2 3.37Å
50E94.9Very high93.8Very high88 Ų8867 Ų6741%0.41137%0.368SS..EExtended strand (participates in β ladder)trans-83147.6169.2-66.4-177.6-169.200109.5Y19 P57 I58 G59 T61Y19-E50 HydrophobicContact CE1-CB 4.35Å; E50-P57 CarbonylContact O-C 3.6Å; E50-P57 WeakPolarHBondContact O-CA 3.44Å; E50-I58 PolarHBondContact O-N 3.11Å; E50-G59 PolarHBondContact N-O 3.49Å; E50-T61 HydrophobicContact CG-CG2 4.39Å; E50-T61 WeakPolarHBondContact OE1-CG2 3.45Å
51S93.1Very high94Very high69 Ų6962.7 Ų62.748%0.48335%0.349SS..EExtended strand (participates in β ladder)trans-111.1149.7177.7-70.80000111.2G55 E56S51-G55 WeakPolarHBondContact CB-O 3.44Å; S51-G55 PolarHBondContact OG-O 3.36Å; S51-E56 CarbonylContact C-O 3.54Å; S51-E56 VanDerWaalsContact CA-O 3.24Å; S51-E56 WeakPolarHBondContact CA-O 3.45Å
52N91.2Very high94.2Very high66 Ų6663.8 Ų63.835%0.35335%0.354SS..  trans-75.1-179.7170.866.726.7000111.5N54 G55 E56 I58N52-N54 PolarHBondContact O-N 3.1Å; N52-N54 VanDerWaalsContact O-N 3.08Å; N52-N54 WeakPolarHBondContact OD1-CA 3.36Å; N52-N54 WeakPolarHBondContact OD1-CB 3.43Å; N52-N54 PolarHBondContact OD1-N 3.13Å; N52-G55 PolarHBondContact O-N 3Å; N52-G55 PolarHBondContact OD1-N 3.18Å; N52-E56 PolarHBondContact N-O 3.37Å; N52-E56 PolarHBondContact OD1-N 3.12Å; N52-E56 VanDerWaalsContact OD1-N 3.13Å; N52-I58 HydrophobicContact CB-CD1 3.76Å; N52-I58 HydrophobicContact CB-CG1 3.82Å
53L92.1Very high94.2Very high186 Ų18666.7 Ų66.797%0.97438%0.376SS*.THydrogen-bonded Turntrans-59.2-20.7179.5-64.8173.3000114.1
54N93Very high94.2Very high141 Ų14160.1 Ų60.175%0.75435%0.35SS*.THydrogen-bonded Turntrans-90.3-1.1177-60-20.1000112.7N52 E56N52-N54 PolarHBondContact O-N 3.1Å; N52-N54 VanDerWaalsContact O-N 3.08Å; N52-N54 WeakPolarHBondContact OD1-CA 3.36Å; N52-N54 WeakPolarHBondContact OD1-CB 3.43Å; N52-N54 PolarHBondContact OD1-N 3.13Å; N54-E56 VanDerWaalsContact C-N 3.32Å
55G90.9Very high94.3Very high46 Ų4659 Ų5947%0.47434%0.342SS..SBendtrans85.5-3.2-176.400000114.6S51 N52S51-G55 WeakPolarHBondContact CB-O 3.44Å; S51-G55 PolarHBondContact OG-O 3.36Å; N52-G55 PolarHBondContact O-N 3Å; N52-G55 PolarHBondContact OD1-N 3.18Å
56E90.7Very high94.3Very high122 Ų12260.5 Ų60.557%0.5735%0.35SS*.  trans-74.7133.5180-66.1-62.2134.100110.7S51 N52 N54 I58S51-E56 CarbonylContact C-O 3.54Å; S51-E56 VanDerWaalsContact CA-O 3.24Å; S51-E56 WeakPolarHBondContact CA-O 3.45Å; N52-E56 PolarHBondContact N-O 3.37Å; N52-E56 PolarHBondContact OD1-N 3.12Å; N52-E56 VanDerWaalsContact OD1-N 3.13Å; N54-E56 VanDerWaalsContact C-N 3.32Å; E56-I58 PolarHBondContact O-N 2.98Å
57P90.5Very high94.3Very high89 Ų8959.9 Ų59.958%0.57835%0.35SS*.EExtended strand (participates in β ladder)trans-66.4125.1-179.227.5-33.7000110.6E50E50-P57 CarbonylContact O-C 3.6Å; E50-P57 WeakPolarHBondContact O-CA 3.44Å
58I91.8Very high94.3Very high69 Ų6956.1 Ų56.135%0.35432%0.324SS..EExtended strand (participates in β ladder)trans-82.9-44.7176-56.5172.4000109.6Y19 E50 N52 E56Y19-I58 HydrophobicContact CD1-CG2 4.15Å; Y19-I58 HydrophobicContact CD2-CG2 3.93Å; Y19-I58 HydrophobicContact CE1-CG2 4.35Å; Y19-I58 HydrophobicContact CE2-CG2 4.16Å; Y19-I58 HydrophobicContact CG-CG2 3.93Å; E50-I58 PolarHBondContact O-N 3.11Å; N52-I58 HydrophobicContact CB-CD1 3.76Å; N52-I58 HydrophobicContact CB-CG1 3.82Å; E56-I58 PolarHBondContact O-N 2.98Å
59G95.3Very high94.2Very high2 Ų253.8 Ų53.82%0.02131%0.314CS..EExtended strand (participates in β ladder)trans153.5-176.6-176.900000111.7V20 S49 E50V20-G59 CarbonylContact O-C 3.48Å; V20-G59 VanDerWaalsContact O-CA 3.25Å; V20-G59 WeakPolarHBondContact O-CA 3.47Å; S49-G59 CarbonylContact C-O 3.59Å; S49-G59 VanDerWaalsContact CA-O 3.29Å; S49-G59 WeakPolarHBondContact CA-O 3.47Å; E50-G59 PolarHBondContact N-O 3.49Å
60I97.1Very high94Very high0 Ų058.1 Ų58.10%033%0.331CS..EExtended strand (participates in β ladder)trans-94.8135.6175.364.9174.1000110.3F9 Y19 V20 C25 I45 F48 S49 F65F9-I60 HydrophobicContact CE2-CG1 4.45Å; Y19-I60 CarbonylContact C-O 3.57Å; Y19-I60 WeakPolarHBondContact CA-O 3.37Å; V20-I60 HydrophobicContact CB-CD1 4.42Å; V20-I60 HydrophobicContact CB-CG1 3.83Å; V20-I60 HydrophobicContact CG1-CG1 4.48Å; V20-I60 PolarHBondContact N-O 3.2Å; V20-I60 PolarHBondContact O-N 3.32Å; C25-I60 WeakPolarHBondContact SG-CD1 3.45Å; I45-I60 HydrophobicContact CG2-CD1 3.84Å; F48-I60 HydrophobicContact CB-CG2 4.45Å; S49-I60 WeakPolarHBondContact OG-CG2 3.37Å; I60-F65 HydrophobicContact CD1-CB 3.87Å; I60-F65 HydrophobicContact CD1-CD2 4.4Å
61T97Very high93.9Very high27 Ų2758.5 Ų58.517%0.16633%0.334CS..  trans-77.8169168.659.40000110.7F9 Y19 E50 S63 G64 F65F9-T61 VanDerWaalsContact CE2-C 3.46Å; Y19-T61 HydrophobicContact CD1-CG2 3.84Å; Y19-T61 HydrophobicContact CE1-CG2 3.52Å; E50-T61 HydrophobicContact CG-CG2 4.39Å; E50-T61 WeakPolarHBondContact OE1-CG2 3.45Å; T61-S63 PolarHBondContact O-N 2.92Å; T61-G64 PolarHBondContact O-N 3.06Å; T61-G64 VanDerWaalsContact O-N 3.13Å; T61-G64 PolarHBondContact OG1-N 2.8Å; T61-F65 WeakPolarHBondContact O-CB 3.46Å; T61-F65 PolarHBondContact O-N 2.87Å
62F96.4Very high93.9Very high32 Ų3255.4 Ų55.414%0.1431%0.312CS..Hα-helixtrans-58.5-35.2175.8-175.9-119.4000112.5F2 R6 F9 F65 L66F2-F62 AromaticContact CE1-CE1 3.7Å; F2-F62 HydrophobicContact CE1-CE1 3.7Å; F2-F62 HydrophobicContact CE1-CZ 4.13Å; F2-F62 HydrophobicContact CE2-CE1 4.14Å; F2-F62 HydrophobicContact CE2-CZ 4.46Å; F2-F62 AromaticContact CZ-CE1 3.5Å; F2-F62 HydrophobicContact CZ-CE1 3.5Å; F2-F62 HydrophobicContact CZ-CZ 4.12Å; R6-F62 VanDerWaalsContact CA-CE2 3.46Å; R6-F62 HydrophobicContact CB-CE1 4.47Å; R6-F62 HydrophobicContact CB-CE2 3.98Å; R6-F62 HydrophobicContact CB-CZ 3.72Å; R6-F62 HydrophobicContact CG-CZ 4.4Å; F9-F62 HydrophobicContact CB-CD2 3.65Å; F9-F62 HydrophobicContact CB-CE2 4.01Å; F9-F62 HydrophobicContact CD1-CB 4.1Å; F9-F62 AromaticContact CD1-CD2 3.95Å; F9-F62 HydrophobicContact CD1-CD2 3.95Å; F9-F62 HydrophobicContact CD1-CG 4.42Å; F9-F62 HydrophobicContact CD2-CB 4.37Å; F9-F62 AromaticContact CD2-CD2 3.94Å; F9-F62 HydrophobicContact CD2-CD2 3.94Å; F9-F62 HydrophobicContact CE1-CB 3.98Å; F9-F62 HydrophobicContact CE2-CB 4.23Å; F9-F62 HydrophobicContact CG-CB 4.31Å; F9-F62 AromaticContact CG-CD2 3.57Å; F9-F62 HydrophobicContact CG-CD2 3.57Å; F9-F62 HydrophobicContact CG-CE2 4.41Å; F9-F62 HydrophobicContact CG-CG 4.4Å; F9-F62 HydrophobicContact CZ-CB 4.05Å; F62-F65 AromaticContact CD2-CD1 3.85Å; F62-F65 HydrophobicContact CD2-CD1 3.85Å; F62-F65 AromaticContact CE2-CD1 3.89Å; F62-F65 HydrophobicContact CE2-CD1 3.89Å; F62-F65 HydrophobicContact CE2-CE1 4.21Å; F62-F65 WeakPolarHBondContact O-CB 3.4Å; F62-F65 PolarHBondContact O-N 3.32Å; F62-L66 HydrophobicContact CD1-CD1 4.13Å; F62-L66 HydrophobicContact CE1-CD1 3.7Å; F62-L66 HydrophobicContact CE1-CD2 4.5Å; F62-L66 HydrophobicContact CE1-CG 4.19Å; F62-L66 HydrophobicContact CE2-CD2 4.17Å; F62-L66 HydrophobicContact CE2-CG 4.23Å; F62-L66 HydrophobicContact CZ-CD1 3.97Å; F62-L66 HydrophobicContact CZ-CD2 3.91Å; F62-L66 HydrophobicContact CZ-CG 4.02Å; F62-L66 WeakPolarHBondContact O-CG 3.17Å; F62-L66 PolarHBondContact O-N 3.24Å
63S96.1Very high93.7Very high81 Ų8155.5 Ų55.557%0.56631%0.31SS*.Hα-helixtrans-66.4-44.3175.1-171.30000112.2T61 F65 L66 S67T61-S63 PolarHBondContact O-N 2.92Å; S63-F65 VanDerWaalsContact C-N 3.31Å; S63-F65 PolarHBondContact O-N 3.28Å; S63-L66 PolarHBondContact O-N 3.34Å; S63-S67 PolarHBondContact O-N 3.23Å; S63-S67 PolarHBondContact O-OG 3.47Å
64G96.3Very high93.5Very high7 Ų753.1 Ų53.17%0.07229%0.292CS..Hα-helixtrans-61.3-41174.100000112T61 S67 S68T61-G64 PolarHBondContact O-N 3.06Å; T61-G64 VanDerWaalsContact O-N 3.13Å; T61-G64 PolarHBondContact OG1-N 2.8Å; G64-S67 PolarHBondContact O-N 3.22Å; G64-S68 WeakPolarHBondContact O-CB 3.3Å; G64-S68 PolarHBondContact O-N 2.79Å
65F96Very high93.2Very high0 Ų051.2 Ų51.20%028%0.278CS..Hα-helixtrans-59.7-50.8173.7168-123.5000112.4L5 F9 L28 L32 I60 T61 F62 S63 S67 S68 V69L5-F65 HydrophobicContact CB-CE1 3.88Å; L5-F65 HydrophobicContact CB-CZ 4.42Å; L5-F65 HydrophobicContact CD2-CE1 4.27Å; L5-F65 HydrophobicContact CD2-CZ 3.94Å; L5-F65 WeakPolarHBondContact O-CE1 3.49Å; F9-F65 HydrophobicContact CB-CD1 3.92Å; F9-F65 HydrophobicContact CB-CE1 4.08Å; F9-F65 HydrophobicContact CD2-CB 3.73Å; F9-F65 AromaticContact CD2-CD1 3.74Å; F9-F65 HydrophobicContact CD2-CD1 3.74Å; F9-F65 AromaticContact CD2-CG 3.88Å; F9-F65 HydrophobicContact CD2-CG 3.88Å; F9-F65 HydrophobicContact CE2-CB 4Å; F9-F65 HydrophobicContact CG-CD1 4.24Å; L28-F65 HydrophobicContact CD1-CD1 4.4Å; L28-F65 HydrophobicContact CD1-CD2 3.69Å; L28-F65 HydrophobicContact CD1-CE1 4.23Å; L28-F65 HydrophobicContact CD1-CE2 3.56Å; L28-F65 HydrophobicContact CD1-CG 4.12Å; L28-F65 HydrophobicContact CD1-CZ 3.82Å; L28-F65 HydrophobicContact CD2-CD2 3.75Å; L28-F65 HydrophobicContact CD2-CE2 3.28Å; L28-F65 HydrophobicContact CD2-CZ 4.09Å; L28-F65 HydrophobicContact CG-CD2 4.26Å; L28-F65 HydrophobicContact CG-CE2 3.75Å; L28-F65 HydrophobicContact CG-CZ 4.11Å; L32-F65 HydrophobicContact CD1-CE2 3.45Å; L32-F65 VanDerWaalsContact CD1-CE2 3.45Å; L32-F65 HydrophobicContact CD1-CZ 3.49Å; L32-F65 VanDerWaalsContact CD1-CZ 3.49Å; I60-F65 HydrophobicContact CD1-CB 3.87Å; I60-F65 HydrophobicContact CD1-CD2 4.4Å; T61-F65 WeakPolarHBondContact O-CB 3.46Å; T61-F65 PolarHBondContact O-N 2.87Å; F62-F65 AromaticContact CD2-CD1 3.85Å; F62-F65 HydrophobicContact CD2-CD1 3.85Å; F62-F65 AromaticContact CE2-CD1 3.89Å; F62-F65 HydrophobicContact CE2-CD1 3.89Å; F62-F65 HydrophobicContact CE2-CE1 4.21Å; F62-F65 WeakPolarHBondContact O-CB 3.4Å; F62-F65 PolarHBondContact O-N 3.32Å; S63-F65 VanDerWaalsContact C-N 3.31Å; S63-F65 PolarHBondContact O-N 3.28Å; F65-S67 VanDerWaalsContact C-N 3.28Å; F65-S67 PolarHBondContact O-N 3.35Å; F65-S68 PolarHBondContact O-N 3.35Å; F65-S68 VanDerWaalsContact O-N 3.13Å; F65-S68 PolarHBondContact O-OG 2.99Å; F65-V69 HydrophobicContact CD2-CG2 3.83Å; F65-V69 HydrophobicContact CE2-CG2 3.2Å; F65-V69 HydrophobicContact CZ-CG2 3.67Å; F65-V69 WeakPolarHBondContact O-CG2 3.48Å; F65-V69 PolarHBondContact O-N 3.39Å
66L95.7Very high92.8Very high33 Ų3349.7 Ų49.717%0.17326%0.259CS..Hα-helixtrans-57.9-42.3177.9-70.6176.2000112F2 L5 F62 S63 S68 V69 Q70F2-L66 HydrophobicContact CD2-CD1 4.29Å; F2-L66 HydrophobicContact CE2-CD1 3.46Å; F2-L66 VanDerWaalsContact CE2-CD1 3.46Å; F2-L66 HydrophobicContact CE2-CD2 4.43Å; F2-L66 HydrophobicContact CZ-CD1 3.99Å; L5-L66 HydrophobicContact CB-CD2 4.16Å; L5-L66 HydrophobicContact CD1-CD2 3.64Å; F62-L66 HydrophobicContact CD1-CD1 4.13Å; F62-L66 HydrophobicContact CE1-CD1 3.7Å; F62-L66 HydrophobicContact CE1-CD2 4.5Å; F62-L66 HydrophobicContact CE1-CG 4.19Å; F62-L66 HydrophobicContact CE2-CD2 4.17Å; F62-L66 HydrophobicContact CE2-CG 4.23Å; F62-L66 HydrophobicContact CZ-CD1 3.97Å; F62-L66 HydrophobicContact CZ-CD2 3.91Å; F62-L66 HydrophobicContact CZ-CG 4.02Å; F62-L66 WeakPolarHBondContact O-CG 3.17Å; F62-L66 PolarHBondContact O-N 3.24Å; S63-L66 PolarHBondContact O-N 3.34Å; L66-S68 VanDerWaalsContact C-N 3.34Å; L66-V69 PolarHBondContact O-N 3.15Å; L66-Q70 WeakPolarHBondContact O-CG 3.48Å; L66-Q70 PolarHBondContact O-N 3.11Å
67S96Very high92.3Very high38 Ų3850.3 Ų50.327%0.26626%0.261SS..Hα-helixtrans-63.9-41.1177.7-55.80000111.5S63 G64 F65 Q70 M71S63-S67 PolarHBondContact O-N 3.23Å; S63-S67 PolarHBondContact O-OG 3.47Å; G64-S67 PolarHBondContact O-N 3.22Å; F65-S67 VanDerWaalsContact C-N 3.28Å; F65-S67 PolarHBondContact O-N 3.35Å; S67-Q70 PolarHBondContact O-N 3.41Å; S67-M71 PolarHBondContact O-N 3.43Å
68S95Very high91.8Very high2 Ų252.3 Ų52.31%0.01427%0.267CS..Hα-helixtrans-63.4-41.4175.878.30000112.6G64 F65 L66 M71 L72G64-S68 WeakPolarHBondContact O-CB 3.3Å; G64-S68 PolarHBondContact O-N 2.79Å; F65-S68 PolarHBondContact O-N 3.35Å; F65-S68 VanDerWaalsContact O-N 3.13Å; F65-S68 PolarHBondContact O-OG 2.99Å; L66-S68 VanDerWaalsContact C-N 3.34Å; S68-M71 PolarHBondContact O-N 2.88Å; S68-L72 WeakPolarHBondContact O-CB 3.39Å; S68-L72 VanDerWaalsContact O-CG 3.29Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.18Å
69V93.2Very high91.1Very high4 Ų451.3 Ų51.32%0.02426%0.263CS..Hα-helixtrans-63.7-45.5177170.90000110.6L5 L32 F65 L66 M71 L72 Q73 M151L5-V69 HydrophobicContact CD1-CG1 4.45Å; L32-V69 HydrophobicContact CD1-CG2 4.01Å; F65-V69 HydrophobicContact CD2-CG2 3.83Å; F65-V69 HydrophobicContact CE2-CG2 3.2Å; F65-V69 HydrophobicContact CZ-CG2 3.67Å; F65-V69 WeakPolarHBondContact O-CG2 3.48Å; F65-V69 PolarHBondContact O-N 3.39Å; L66-V69 PolarHBondContact O-N 3.15Å; V69-M71 VanDerWaalsContact C-N 3.33Å; V69-M71 PolarHBondContact O-N 2.83Å; V69-L72 PolarHBondContact O-N 2.75Å; V69-Q73 HydrophobicContact CG1-CG 4.3Å; V69-Q73 WeakPolarHBondContact O-CB 3.26Å; V69-Q73 VanDerWaalsContact O-CG 3.26Å; V69-Q73 WeakPolarHBondContact O-CG 3.42Å; V69-Q73 PolarHBondContact O-N 3.25Å; V69-M151 HydrophobicContact CG1-CE 3.69Å; V69-M151 HydrophobicContact CG1-SD 3.85Å; V69-M151 HydrophobicContact CG2-CE 4.22Å
70Q92.6Very high90Very high118 Ų11855.9 Ų55.955%0.55129%0.286SS*.Hα-helixtrans-61.5-40.7177.3-72.4176.2-12.500112.4L66 S67 K74L66-Q70 WeakPolarHBondContact O-CG 3.48Å; L66-Q70 PolarHBondContact O-N 3.11Å; S67-Q70 PolarHBondContact O-N 3.41Å; Q70-K74 WeakPolarHBondContact O-CG 3.16Å; Q70-K74 PolarHBondContact O-N 3.48Å
71M92.8Very high88.8Confident96 Ų9660.3 Ų60.347%0.47332%0.315SS..Hα-helixtrans-66-45.7175.6-89.7-173.158.600112.3F48 S67 S68 V69 Q73 K74 H75F48-M71 HydrophobicContact CE2-SD 3.88Å; F48-M71 HydrophobicContact CZ-CG 4.37Å; F48-M71 HydrophobicContact CZ-SD 3.48Å; F48-M71 WeakPolarHBondContact CZ-SD 3.48Å; S67-M71 PolarHBondContact O-N 3.43Å; S68-M71 PolarHBondContact O-N 2.88Å; V69-M71 VanDerWaalsContact C-N 3.33Å; V69-M71 PolarHBondContact O-N 2.83Å; M71-Q73 PolarHBondContact O-N 3.36Å; M71-K74 PolarHBondContact O-N 2.98Å; M71-H75 WeakPolarHBondContact O-CB 3.5Å; M71-H75 PolarHBondContact O-N 2.91Å
72L91.6Very high87.6Confident4 Ų464.8 Ų64.82%0.02133%0.334CS..Hα-helixtrans-62.5-41.9177.9-74.5169000111.7F29 Y33 E41 C44 I45 S68 V69 K74 H75 F76F29-L72 HydrophobicContact CD2-CD1 4.12Å; F29-L72 HydrophobicContact CE2-CD1 3.81Å; F29-L72 HydrophobicContact CE2-CD2 4.41Å; Y33-L72 HydrophobicContact CE2-CD1 4.07Å; E41-L72 HydrophobicContact CB-CD2 4.23Å; E41-L72 HydrophobicContact CG-CD2 3.97Å; C44-L72 HydrophobicContact CB-CD2 4.27Å; I45-L72 HydrophobicContact CD1-CD1 4.21Å; I45-L72 HydrophobicContact CG1-CD1 3.85Å; S68-L72 WeakPolarHBondContact O-CB 3.39Å; S68-L72 VanDerWaalsContact O-CG 3.29Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.18Å; V69-L72 PolarHBondContact O-N 2.75Å; L72-K74 PolarHBondContact O-N 2.75Å; L72-H75 WeakPolarHBondContact O-CB 3.32Å; L72-H75 PolarHBondContact O-N 2.93Å; L72-F76 HydrophobicContact CB-CD2 4.47Å; L72-F76 HydrophobicContact CB-CE2 4.04Å; L72-F76 HydrophobicContact CD2-CZ 4.33Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 WeakPolarHBondContact O-CG 3.41Å; L72-F76 PolarHBondContact O-N 3.26Å
73Q87.8Confident86.5Confident68 Ų6865.3 Ų65.332%0.31834%0.338SS..Hα-helixtrans-58-46.7175.2-77.5176-14.600111.9V69 M71 H75 F76 Q77 M151V69-Q73 HydrophobicContact CG1-CG 4.3Å; V69-Q73 WeakPolarHBondContact O-CB 3.26Å; V69-Q73 VanDerWaalsContact O-CG 3.26Å; V69-Q73 WeakPolarHBondContact O-CG 3.42Å; V69-Q73 PolarHBondContact O-N 3.25Å; M71-Q73 PolarHBondContact O-N 3.36Å; Q73-H75 PolarHBondContact O-N 2.87Å; Q73-F76 PolarHBondContact O-N 3.23Å; Q73-Q77 WeakPolarHBondContact O-CB 3.38Å; Q73-Q77 PolarHBondContact O-N 2.94Å; Q73-M151 HydrophobicContact CG-SD 4.47Å; Q73-M151 PolarHBondContact NE2-SD 3.5Å
74K87.6Confident85.7Confident137 Ų13765.6 Ų65.660%0.59633%0.333SS*.Hα-helixtrans-62.8-42.1175.5-72.1177.3-179.6179.10112Q70 M71 L72 Q77 N78Q70-K74 WeakPolarHBondContact O-CG 3.16Å; Q70-K74 PolarHBondContact O-N 3.48Å; M71-K74 PolarHBondContact O-N 2.98Å; L72-K74 PolarHBondContact O-N 2.75Å; K74-Q77 PolarHBondContact O-N 3.23Å; K74-N78 WeakPolarHBondContact O-CB 3.36Å; K74-N78 VanDerWaalsContact O-CG 3.24Å; K74-N78 PolarHBondContact O-N 3.4Å; K74-N78 PolarHBondContact O-ND2 3.49Å
75H85.8Confident85.1Confident101 Ų10170.9 Ų70.947%0.46836%0.355SS..Hα-helixtrans-61.1-46.4176.7178.9-90.6000111.3M71 L72 Q73 N78 N79M71-H75 WeakPolarHBondContact O-CB 3.5Å; M71-H75 PolarHBondContact O-N 2.91Å; L72-H75 WeakPolarHBondContact O-CB 3.32Å; L72-H75 PolarHBondContact O-N 2.93Å; Q73-H75 PolarHBondContact O-N 2.87Å; H75-N78 PolarHBondContact O-N 3Å; H75-N79 PolarHBondContact CD2-ND2 3.13Å; H75-N79 PolarHBondContact CE1-ND2 3.3Å; H75-N79 PolarHBondContact NE2-ND2 3.32Å; H75-N79 WeakPolarHBondContact O-CB 3.37Å; H75-N79 PolarHBondContact O-N 3.38Å; H75-N79 VanDerWaalsContact O-N 3.11Å; H75-N79 PolarHBondContact O-ND2 3.3Å
76F83.6Confident84.4Confident14 Ų1476.9 Ų76.96%0.06138%0.383CS..Hα-helixtrans-65.4-41.5177.1-64-40.9000112F29 Y33 E41 L72 Q73 N78 N79 L80 I83 F149F29-F76 HydrophobicContact CZ-CZ 4.13Å; Y33-F76 HydrophobicContact CD1-CE2 4Å; Y33-F76 HydrophobicContact CE1-CD2 4.17Å; Y33-F76 AromaticContact CE1-CE2 3.7Å; Y33-F76 HydrophobicContact CE1-CE2 3.7Å; E41-F76 HydrophobicContact CG-CZ 4.49Å; E41-F76 WeakPolarHBondContact OE1-CE1 3.33Å; L72-F76 HydrophobicContact CB-CD2 4.47Å; L72-F76 HydrophobicContact CB-CE2 4.04Å; L72-F76 HydrophobicContact CD2-CZ 4.33Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 WeakPolarHBondContact O-CG 3.41Å; L72-F76 PolarHBondContact O-N 3.26Å; Q73-F76 PolarHBondContact O-N 3.23Å; F76-N78 VanDerWaalsContact C-N 3.33Å; F76-N78 PolarHBondContact O-N 3.28Å; F76-N79 CarbonylContact O-C 3.43Å; F76-N79 PolarHBondContact O-N 2.94Å; F76-N79 VanDerWaalsContact O-N 3.15Å; F76-L80 WeakPolarHBondContact O-CG 3.27Å; F76-L80 PolarHBondContact O-N 3.38Å; F76-I83 HydrophobicContact CB-CD1 4.14Å; F76-I83 HydrophobicContact CD1-CD1 3.95Å; F76-I83 HydrophobicContact CG-CD1 4.44Å; F76-F149 HydrophobicContact CD2-CE2 4.26Å; F76-F149 HydrophobicContact CD2-CZ 4.25Å; F76-F149 HydrophobicContact CE2-CZ 4.3Å; F76-F149 HydrophobicContact CG-CE2 4.31Å; F76-F149 HydrophobicContact CG-CZ 4.39Å; F76-F149 HydrophobicContact CZ-CZ 4.49Å
77Q79.9Confident83.9Confident134 Ų13476.5 Ų76.563%0.62638%0.382SS*.Hα-helixtrans-60.1-42.6177.3-169.216827.400112.2Q73 K74 N79 L80Q73-Q77 WeakPolarHBondContact O-CB 3.38Å; Q73-Q77 PolarHBondContact O-N 2.94Å; K74-Q77 PolarHBondContact O-N 3.23Å; Q77-N79 VanDerWaalsContact C-N 3.29Å; Q77-N79 PolarHBondContact O-N 2.92Å; Q77-L80 HydrophobicContact CG-CD1 4.12Å; Q77-L80 WeakPolarHBondContact O-CD1 3.19Å; Q77-L80 WeakPolarHBondContact O-CG 3.39Å; Q77-L80 PolarHBondContact O-N 3.41Å
78N79.3Confident83.6Confident131 Ų13179 Ų7970%0.70139%0.385SS*.Hα-helixtrans-71.9-23.6178.5-68.7-18.1000113.2K74 H75 F76K74-N78 WeakPolarHBondContact O-CB 3.36Å; K74-N78 VanDerWaalsContact O-CG 3.24Å; K74-N78 PolarHBondContact O-N 3.4Å; K74-N78 PolarHBondContact O-ND2 3.49Å; H75-N78 PolarHBondContact O-N 3Å; F76-N78 VanDerWaalsContact C-N 3.33Å; F76-N78 PolarHBondContact O-N 3.28Å
79N77.9Confident83.4Confident49 Ų4983.5 Ų83.526%0.26241%0.409SS..THydrogen-bonded Turntrans-102.810.2179.2-70.8-74.6000113.1H75 F76 Q77 P81 H82 I83H75-N79 PolarHBondContact CD2-ND2 3.13Å; H75-N79 PolarHBondContact CE1-ND2 3.3Å; H75-N79 PolarHBondContact NE2-ND2 3.32Å; H75-N79 WeakPolarHBondContact O-CB 3.37Å; H75-N79 PolarHBondContact O-N 3.38Å; H75-N79 VanDerWaalsContact O-N 3.11Å; H75-N79 PolarHBondContact O-ND2 3.3Å; F76-N79 CarbonylContact O-C 3.43Å; F76-N79 PolarHBondContact O-N 2.94Å; F76-N79 VanDerWaalsContact O-N 3.15Å; Q77-N79 VanDerWaalsContact C-N 3.29Å; Q77-N79 PolarHBondContact O-N 2.92Å; N79-P81 VanDerWaalsContact C-CD 3.4Å; N79-P81 VanDerWaalsContact C-N 3.3Å; N79-H82 PolarHBondContact O-N 3.31Å; N79-I83 HydrophobicContact CB-CD1 4.34Å; N79-I83 WeakPolarHBondContact O-CG1 3.29Å; N79-I83 PolarHBondContact O-N 3.19Å
80L71.9Confident83.2Confident97 Ų9784.7 Ų84.751%0.50842%0.417SS..Hα-helixtrans-48.2-44.6-179.3-81.2169.3000113.4F76 Q77 H82 I83 D84F76-L80 WeakPolarHBondContact O-CG 3.27Å; F76-L80 PolarHBondContact O-N 3.38Å; Q77-L80 HydrophobicContact CG-CD1 4.12Å; Q77-L80 WeakPolarHBondContact O-CD1 3.19Å; Q77-L80 WeakPolarHBondContact O-CG 3.39Å; Q77-L80 PolarHBondContact O-N 3.41Å; L80-H82 VanDerWaalsContact C-N 3.34Å; L80-H82 PolarHBondContact O-N 3.49Å; L80-I83 PolarHBondContact O-N 3.4Å; L80-D84 PolarHBondContact O-N 2.93Å
81P71.5Confident83.2Confident93 Ų9379 Ų7960%0.60439%0.391SS*.Hα-helixtrans-60.1-41.5178.6-24.435.2000113.4N79 D84 E85N79-P81 VanDerWaalsContact C-CD 3.4Å; N79-P81 VanDerWaalsContact C-N 3.3Å; P81-D84 PolarHBondContact O-N 3.49Å; P81-E85 PolarHBondContact O-N 3.19Å
82H73.7Confident83.2Confident121 Ų12177.4 Ų77.456%0.5638%0.384SS*.Hα-helixtrans-72.1-33.1178.2-66-56.6000112.4N79 L80 H86N79-H82 PolarHBondContact O-N 3.31Å; L80-H82 VanDerWaalsContact C-N 3.34Å; L80-H82 PolarHBondContact O-N 3.49Å; H82-H86 WeakPolarHBondContact O-CB 3.32Å; H82-H86 PolarHBondContact O-N 3.42Å
83I73.4Confident83.2Confident44 Ų4481.7 Ų81.723%0.22641%0.413CS..Hα-helixtrans-67.8-41.5174.9-65.8167.7000110F76 N79 L80 H86 N87F76-I83 HydrophobicContact CB-CD1 4.14Å; F76-I83 HydrophobicContact CD1-CD1 3.95Å; F76-I83 HydrophobicContact CG-CD1 4.44Å; N79-I83 HydrophobicContact CB-CD1 4.34Å; N79-I83 WeakPolarHBondContact O-CG1 3.29Å; N79-I83 PolarHBondContact O-N 3.19Å; L80-I83 PolarHBondContact O-N 3.4Å; I83-H86 PolarHBondContact O-N 3.35Å; I83-N87 WeakPolarHBondContact O-CB 3.4Å; I83-N87 PolarHBondContact O-N 3.03Å; I83-N87 PolarHBondContact O-ND2 3.45Å
84D78Confident83.4Confident86 Ų8680.7 Ų80.746%0.4641%0.409SS..Hα-helixtrans-65.6-43.1176.6-169.244.6000111.6L80 P81 H86 N87 R88 Y140L80-D84 PolarHBondContact O-N 2.93Å; P81-D84 PolarHBondContact O-N 3.49Å; D84-H86 VanDerWaalsContact C-N 3.34Å; D84-H86 PolarHBondContact O-N 3Å; D84-N87 PolarHBondContact O-N 2.64Å; D84-R88 WeakPolarHBondContact O-CB 3.48Å; D84-R88 PolarHBondContact O-N 2.86Å; D84-Y140 PolarHBondContact O-OH 3.32Å; D84-Y140 PolarHBondContact OD1-OH 2.91Å
85E82.9Confident83.7Confident118 Ų11874.2 Ų74.255%0.55138%0.381SS*.Hα-helixtrans-58.8-44.4172.3-174.7-178.9-173.700111.8P81 R88 L89P81-E85 PolarHBondContact O-N 3.19Å; E85-R88 PolarHBondContact O-N 2.73Å; E85-L89 HydrophobicContact CG-CD1 4.26Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.47Å; E85-L89 PolarHBondContact O-N 3.07Å
86H82.8Confident83.9Confident126 Ų12673 Ų7358%0.58338%0.378SS*.Hα-helixtrans-63.5-44176.9-176.371.4000112.5H82 I83 D84 R88 L89 S90H82-H86 WeakPolarHBondContact O-CB 3.32Å; H82-H86 PolarHBondContact O-N 3.42Å; I83-H86 PolarHBondContact O-N 3.35Å; D84-H86 VanDerWaalsContact C-N 3.34Å; D84-H86 PolarHBondContact O-N 3Å; H86-R88 VanDerWaalsContact C-N 3.31Å; H86-R88 PolarHBondContact O-N 2.86Å; H86-L89 PolarHBondContact O-N 3.47Å; H86-S90 PolarHBondContact O-N 3.32Å; H86-S90 PolarHBondContact O-OG 3.39Å
87N84.5Confident84.3Confident26 Ų2676.3 Ų76.314%0.13940%0.396CS..Hα-helixtrans-63.2-38.4177.4-73.9-17.1000111.4I83 D84 S90 F91 Y140 Y143 L144I83-N87 WeakPolarHBondContact O-CB 3.4Å; I83-N87 PolarHBondContact O-N 3.03Å; I83-N87 PolarHBondContact O-ND2 3.45Å; D84-N87 PolarHBondContact O-N 2.64Å; N87-S90 WeakPolarHBondContact CA-OG 3.46Å; N87-S90 PolarHBondContact O-OG 3.44Å; N87-F91 WeakPolarHBondContact O-CB 3.44Å; N87-F91 PolarHBondContact O-N 3.39Å; N87-Y140 HydrophobicContact CB-CE2 4.38Å; N87-Y143 HydrophobicContact CB-CE1 4.26Å; N87-Y143 WeakPolarHBondContact O-CE1 3.18Å; N87-L144 HydrophobicContact CB-CD2 3.72Å; N87-L144 WeakPolarHBondContact ND2-CD2 3.36Å
88R89.8Confident84.8Confident89 Ų8974.9 Ų74.934%0.33640%0.401SS..Hα-helixtrans-63.8-49.6174.7179.965.5-160.6-156.610.6110.8D84 E85 H86 S90 F91 D92 D100 Y140D84-R88 WeakPolarHBondContact O-CB 3.48Å; D84-R88 PolarHBondContact O-N 2.86Å; E85-R88 PolarHBondContact O-N 2.73Å; H86-R88 VanDerWaalsContact C-N 3.31Å; H86-R88 PolarHBondContact O-N 2.86Å; R88-S90 VanDerWaalsContact C-N 3.32Å; R88-S90 PolarHBondContact O-N 3.41Å; R88-F91 PolarHBondContact O-N 3.46Å; R88-D92 IonicContact CZ-OD1 3.26Å; R88-D92 VanDerWaalsContact CZ-OD1 3.26Å; R88-D92 IonicContact NE-OD1 2.95Å; R88-D92 PolarHBondContact NE-OD1 2.78Å; R88-D92 IonicContact NE-OD2 3.18Å; R88-D92 PolarHBondContact NE-OD2 3.12Å; R88-D92 IonicContact NH2-OD1 3.44Å; R88-D92 PolarHBondContact NH2-OD1 2.94Å; R88-D92 WeakPolarHBondContact O-CB 3.3Å; R88-D92 VanDerWaalsContact O-CG 3.26Å; R88-D92 PolarHBondContact O-N 3.35Å; R88-D100 IonicContact CZ-OD1 3.46Å; R88-D100 IonicContact NH1-OD1 3.19Å; R88-D100 PolarHBondContact NH1-OD1 2.85Å; R88-D100 IonicContact NH2-OD1 2.89Å; R88-D100 PolarHBondContact NH2-OD1 3.04Å; R88-Y140 HydrophobicContact CB-CE2 4.33Å; R88-Y140 PolarHBondContact N-OH 3.13Å
89L90.8Very high85.5Confident98 Ų9873.2 Ų73.251%0.51339%0.385SS..Hα-helixtrans-61.8-38.5179.2-70.6172.5000112.6E85 H86 C93E85-L89 HydrophobicContact CG-CD1 4.26Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.47Å; E85-L89 PolarHBondContact O-N 3.07Å; H86-L89 PolarHBondContact O-N 3.47Å; L89-C93 PolarHBondContact O-N 3.45Å; L89-C93 PolarHBondContact O-SG 2.86Å
90S88.9Confident86.3Confident28 Ų2875.1 Ų75.120%0.19640%0.395CS..Hα-helixtrans-69-38.8176.2600000111.9H86 N87 R88 C93 Y143H86-S90 PolarHBondContact O-N 3.32Å; H86-S90 PolarHBondContact O-OG 3.39Å; N87-S90 WeakPolarHBondContact CA-OG 3.46Å; N87-S90 PolarHBondContact O-OG 3.44Å; R88-S90 VanDerWaalsContact C-N 3.32Å; R88-S90 PolarHBondContact O-N 3.41Å; S90-C93 WeakPolarHBondContact O-CB 3.27Å; S90-C93 PolarHBondContact O-N 3.31Å; S90-Y143 WeakPolarHBondContact CB-OH 3.25Å; S90-Y143 PolarHBondContact OG-OH 2.85Å
91F92.6Very high87.4Confident0 Ų072.6 Ų72.60%038%0.38CS..Hα-helixtrans-64.9-44.5174.4-175.3-95.8000112.1N87 R88 C93 L94 D95 V102 V138 S139 Y140 Y143N87-F91 WeakPolarHBondContact O-CB 3.44Å; N87-F91 PolarHBondContact O-N 3.39Å; R88-F91 PolarHBondContact O-N 3.46Å; F91-C93 PolarHBondContact O-N 3.01Å; F91-L94 WeakPolarHBondContact O-CA 3.29Å; F91-L94 WeakPolarHBondContact O-CB 3.34Å; F91-L94 PolarHBondContact O-N 3.16Å; F91-D95 HydrophobicContact CE1-CB 4.21Å; F91-D95 PolarHBondContact O-N 3Å; F91-V102 HydrophobicContact CD2-CG2 4.34Å; F91-V102 HydrophobicContact CE2-CG2 3.78Å; F91-V102 HydrophobicContact CZ-CG2 3.92Å; F91-V138 WeakPolarHBondContact CZ-O 3.48Å; F91-S139 WeakPolarHBondContact CE2-O 3.26Å; F91-Y140 HydrophobicContact CB-CD2 3.72Å; F91-Y140 HydrophobicContact CB-CE2 3.98Å; F91-Y140 AromaticContact CD1-CD2 3.93Å; F91-Y140 HydrophobicContact CD1-CD2 3.93Å; F91-Y140 HydrophobicContact CD2-CD2 4.07Å; F91-Y140 AromaticContact CG-CD2 3.64Å; F91-Y140 HydrophobicContact CG-CD2 3.64Å; F91-Y140 HydrophobicContact CG-CE2 4.4Å; F91-Y143 HydrophobicContact CB-CD1 4.08Å; F91-Y143 HydrophobicContact CB-CE1 4.21Å; F91-Y143 HydrophobicContact CB-CG 4.48Å; F91-Y143 AromaticContact CD2-CD1 3.99Å; F91-Y143 HydrophobicContact CD2-CD1 3.99Å; F91-Y143 HydrophobicContact CD2-CD2 4.04Å; F91-Y143 AromaticContact CD2-CG 3.59Å; F91-Y143 HydrophobicContact CD2-CG 3.59Å; F91-Y143 HydrophobicContact CE2-CG 4.33Å; F91-Y143 HydrophobicContact CG-CD1 4.47Å; F91-Y143 HydrophobicContact CG-CG 4.48Å
92D92.8Very high88.6Confident62 Ų6268.3 Ų68.333%0.33235%0.353SS..Hα-helixtrans-60.7-28.6177.7-70.3-25.9000111.9R88 L94R88-D92 IonicContact CZ-OD1 3.26Å; R88-D92 VanDerWaalsContact CZ-OD1 3.26Å; R88-D92 IonicContact NE-OD1 2.95Å; R88-D92 PolarHBondContact NE-OD1 2.78Å; R88-D92 IonicContact NE-OD2 3.18Å; R88-D92 PolarHBondContact NE-OD2 3.12Å; R88-D92 IonicContact NH2-OD1 3.44Å; R88-D92 PolarHBondContact NH2-OD1 2.94Å; R88-D92 WeakPolarHBondContact O-CB 3.3Å; R88-D92 VanDerWaalsContact O-CG 3.26Å; R88-D92 PolarHBondContact O-N 3.35Å; D92-L94 VanDerWaalsContact C-N 3.29Å; D92-L94 PolarHBondContact O-N 3.28Å
93C92Very high89.6Confident93 Ų9363.7 Ų63.763%0.62833%0.333SS*.Hα-helixtrans-69.7-24.8172.2-680000113.4L89 S90 F91L89-C93 PolarHBondContact O-N 3.45Å; L89-C93 PolarHBondContact O-SG 2.86Å; S90-C93 WeakPolarHBondContact O-CB 3.27Å; S90-C93 PolarHBondContact O-N 3.31Å; F91-C93 PolarHBondContact O-N 3.01Å
94L92.7Very high90.6Very high47 Ų4764.2 Ų64.225%0.24634%0.335CS..Hα-helixtrans-88.5-34.6177.6-60.4176000111.8F91 D92 L96 V102 L107 I110 Y143F91-L94 WeakPolarHBondContact O-CA 3.29Å; F91-L94 WeakPolarHBondContact O-CB 3.34Å; F91-L94 PolarHBondContact O-N 3.16Å; D92-L94 VanDerWaalsContact C-N 3.29Å; D92-L94 PolarHBondContact O-N 3.28Å; L94-L96 VanDerWaalsContact C-N 3.28Å; L94-L96 PolarHBondContact O-N 2.94Å; L94-V102 HydrophobicContact CB-CG1 4.33Å; L94-V102 HydrophobicContact CB-CG2 3.71Å; L94-L107 HydrophobicContact CD2-CD2 4.19Å; L94-I110 HydrophobicContact CB-CD1 4.38Å; L94-I110 HydrophobicContact CD2-CD1 3.79Å; L94-Y143 HydrophobicContact CD1-CD2 4.47Å; L94-Y143 HydrophobicContact CD1-CE2 4.04Å
95D93.1Very high91.4Very high1 Ų164.7 Ų64.71%0.00534%0.337CS..  trans-79.575.1177.4-177.512.3000111.7F91 N97 S98 R99 D100 V102F91-D95 HydrophobicContact CE1-CB 4.21Å; F91-D95 PolarHBondContact O-N 3Å; D95-N97 PolarHBondContact O-N 3.15Å; D95-S98 PolarHBondContact O-N 3.3Å; D95-S98 PolarHBondContact OD1-N 2.83Å; D95-S98 VanDerWaalsContact OD1-N 3.16Å; D95-S98 VanDerWaalsContact OD2-C 3.27Å; D95-S98 VanDerWaalsContact OD2-CA 3.25Å; D95-S98 WeakPolarHBondContact OD2-CA 3.48Å; D95-R99 VanDerWaalsContact CG-N 3.3Å; D95-R99 PolarHBondContact OD1-N 3.09Å; D95-R99 VanDerWaalsContact OD1-N 3.11Å; D95-R99 PolarHBondContact OD2-N 3.45Å; D95-D100 WeakPolarHBondContact OD2-CA 3.37Å; D95-D100 PolarHBondContact OD2-N 3.13Å; D95-V102 HydrophobicContact CB-CG2 4.1Å
96L90.7Very high91.9Very high77 Ų7759 Ų5940%0.40331%0.311SS..THydrogen-bonded Turntrans-56-18.5-174.7-62.7-175.8000115.4L94 D106 K109 I110L94-L96 VanDerWaalsContact C-N 3.28Å; L94-L96 PolarHBondContact O-N 2.94Å; L96-D106 HydrophobicContact CD1-CB 4.29Å; L96-D106 HydrophobicContact CG-CB 4.3Å; L96-K109 HydrophobicContact CD1-CB 3.79Å; L96-K109 HydrophobicContact CD1-CD 3.82Å; L96-K109 HydrophobicContact CD1-CG 4.48Å; L96-I110 HydrophobicContact CD1-CD1 4.47Å; L96-I110 HydrophobicContact CD1-CG1 4.05Å; L96-I110 HydrophobicContact CD2-CD1 3.98Å; L96-I110 HydrophobicContact CD2-CG1 3.99Å; L96-I110 HydrophobicContact CG-CD1 4.16Å; L96-I110 HydrophobicContact CG-CG1 4.22Å
97N91.5Very high92.4Very high82 Ų8254.2 Ų54.244%0.43929%0.29SS..THydrogen-bonded Turntrans-118.610.6-178.2-45.3-74.2000112.7D95 R99 D106D95-N97 PolarHBondContact O-N 3.15Å; N97-R99 VanDerWaalsContact C-N 3.34Å; N97-R99 HydrophobicContact CB-CG 3.95Å; N97-R99 PolarHBondContact O-N 3.48Å; N97-D106 PolarHBondContact ND2-OD1 2.91Å
98S91.1Very high92.9Very high105 Ų10557.4 Ų57.473%0.73430%0.303SS*.  trans50.550.1178.9-52.20000113D95D95-S98 PolarHBondContact O-N 3.3Å; D95-S98 PolarHBondContact OD1-N 2.83Å; D95-S98 VanDerWaalsContact OD1-N 3.16Å; D95-S98 VanDerWaalsContact OD2-C 3.27Å; D95-S98 VanDerWaalsContact OD2-CA 3.25Å; D95-S98 WeakPolarHBondContact OD2-CA 3.48Å
99R93.6Very high93Very high95 Ų9558 Ų5836%0.35831%0.308SS..SBendtrans-98.71.4179.8-59.6179-64.1-179.7-2113.3D95 N97 F101 T103 D106D95-R99 VanDerWaalsContact CG-N 3.3Å; D95-R99 PolarHBondContact OD1-N 3.09Å; D95-R99 VanDerWaalsContact OD1-N 3.11Å; D95-R99 PolarHBondContact OD2-N 3.45Å; N97-R99 VanDerWaalsContact C-N 3.34Å; N97-R99 HydrophobicContact CB-CG 3.95Å; N97-R99 PolarHBondContact O-N 3.48Å; R99-F101 HydrophobicContact CB-CD1 3.83Å; R99-F101 HydrophobicContact CB-CE1 3.53Å; R99-F101 HydrophobicContact CB-CE2 4.39Å; R99-F101 HydrophobicContact CB-CG 4.38Å; R99-F101 HydrophobicContact CB-CZ 3.84Å; R99-F101 HydrophobicContact CG-CE1 4.48Å; R99-F101 HydrophobicContact CG-CZ 4.42Å; R99-F101 WeakPolarHBondContact O-CD1 3.27Å; R99-F101 PolarHBondContact O-N 3.24Å; R99-T103 PolarHBondContact NH2-OG1 2.93Å; R99-D106 IonicContact CZ-OD2 3.39Å; R99-D106 IonicContact NH2-OD1 2.82Å; R99-D106 PolarHBondContact NH2-OD1 2.9Å; R99-D106 IonicContact NH2-OD2 3.5Å; R99-D106 PolarHBondContact NH2-OD2 2.96Å
100D93.4Very high93.1Very high89 Ų8954.7 Ų54.748%0.47629%0.291SS..SBendtrans60.519.8-169.4-67-58.8000113.8R88 D95R88-D100 IonicContact CZ-OD1 3.46Å; R88-D100 IonicContact NH1-OD1 3.19Å; R88-D100 PolarHBondContact NH1-OD1 2.85Å; R88-D100 IonicContact NH2-OD1 2.89Å; R88-D100 PolarHBondContact NH2-OD1 3.04Å; D95-D100 WeakPolarHBondContact OD2-CA 3.37Å; D95-D100 PolarHBondContact OD2-N 3.13Å
101F96.1Very high93.2Very high44 Ų4454.6 Ų54.619%0.19329%0.286CS..EExtended strand (participates in β ladder)trans-151.2146.9171.465.4-96.4000112.2R99 T103 R137 V138R99-F101 HydrophobicContact CB-CD1 3.83Å; R99-F101 HydrophobicContact CB-CE1 3.53Å; R99-F101 HydrophobicContact CB-CE2 4.39Å; R99-F101 HydrophobicContact CB-CG 4.38Å; R99-F101 HydrophobicContact CB-CZ 3.84Å; R99-F101 HydrophobicContact CG-CE1 4.48Å; R99-F101 HydrophobicContact CG-CZ 4.42Å; R99-F101 WeakPolarHBondContact O-CD1 3.27Å; R99-F101 PolarHBondContact O-N 3.24Å; F101-T103 HydrophobicContact CD2-CG2 3.79Å; F101-T103 HydrophobicContact CE2-CG2 3.62Å; F101-R137 HydrophobicContact CB-CB 4.15Å; F101-R137 HydrophobicContact CD2-CB 4.01Å; F101-R137 HydrophobicContact CD2-CG 3.91Å; F101-R137 HydrophobicContact CE2-CG 4.28Å; F101-R137 HydrophobicContact CG-CB 4.28Å; F101-R137 HydrophobicContact CG-CG 4.44Å; F101-V138 CarbonylContact C-O 3.58Å; F101-V138 WeakPolarHBondContact CA-O 3.38Å
102V96Very high93.2Very high4 Ų457.7 Ų57.72%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-104.1130.6178.2-177.10000109.8F91 L94 D95 D106 L107 V138F91-V102 HydrophobicContact CD2-CG2 4.34Å; F91-V102 HydrophobicContact CE2-CG2 3.78Å; F91-V102 HydrophobicContact CZ-CG2 3.92Å; L94-V102 HydrophobicContact CB-CG1 4.33Å; L94-V102 HydrophobicContact CB-CG2 3.71Å; D95-V102 HydrophobicContact CB-CG2 4.1Å; V102-D106 HydrophobicContact CG1-CB 4.14Å; V102-L107 HydrophobicContact CG1-CD2 3.55Å; V102-L107 HydrophobicContact CG1-CG 3.69Å; V102-V138 HydrophobicContact CB-CB 4.33Å; V102-V138 PolarHBondContact N-O 2.88Å; V102-V138 PolarHBondContact O-N 2.85Å
103T95.5Very high93.2Very high24 Ų2463.5 Ų63.515%0.14733%0.325CS..EExtended strand (participates in β ladder)trans-103.2162.2174.565.50000111.6R99 F101 N105 D106 L107R99-T103 PolarHBondContact NH2-OG1 2.93Å; F101-T103 HydrophobicContact CD2-CG2 3.79Å; F101-T103 HydrophobicContact CE2-CG2 3.62Å; T103-N105 PolarHBondContact O-N 3.04Å; T103-N105 VanDerWaalsContact O-N 3.1Å; T103-D106 WeakPolarHBondContact CB-OD2 3.43Å; T103-D106 PolarHBondContact N-OD2 3.45Å; T103-D106 PolarHBondContact O-N 3.36Å; T103-D106 VanDerWaalsContact OG1-CG 3.29Å; T103-D106 PolarHBondContact OG1-N 3.33Å; T103-D106 PolarHBondContact OG1-OD2 3.18Å; T103-L107 PolarHBondContact O-N 3.38Å; T103-L107 VanDerWaalsContact O-N 3.11Å
104M94.6Very high93.1Very high54 Ų5466 Ų6627%0.26632%0.322SS..Hα-helixtrans-50.8-35.8171.3-174.768.268.700112.6H108 L123 R124 F127M104-H108 WeakPolarHBondContact O-CB 3.35Å; M104-H108 PolarHBondContact O-N 3.25Å; M104-L123 HydrophobicContact SD-CD2 4.31Å; M104-L123 HydrophobicContact SD-CG 4.07Å; M104-R124 HydrophobicContact CE-CB 4.45Å; M104-R124 HydrophobicContact CE-CG 4.2Å; M104-F127 HydrophobicContact CB-CD2 4.47Å; M104-F127 HydrophobicContact CB-CE2 4.43Å; M104-F127 HydrophobicContact CE-CB 3.4Å; M104-F127 VanDerWaalsContact CE-CB 3.4Å; M104-F127 HydrophobicContact CE-CD1 3.5Å; M104-F127 VanDerWaalsContact CE-CD1 3.5Å; M104-F127 HydrophobicContact CE-CD2 4.19Å; M104-F127 HydrophobicContact CE-CE1 4.33Å; M104-F127 HydrophobicContact CE-CG 3.4Å; M104-F127 VanDerWaalsContact CE-CG 3.4Å; M104-F127 VanDerWaalsContact N-CE2 3.31Å; M104-F127 HydrophobicContact SD-CB 4.06Å; M104-F127 HydrophobicContact SD-CG 4.19Å
105N93.7Very high92.9Very high96 Ų9667.2 Ų67.251%0.51333%0.329SS..Hα-helixtrans-70-37179.4-174.563.2000112.5T103 H108 K109T103-N105 PolarHBondContact O-N 3.04Å; T103-N105 VanDerWaalsContact O-N 3.1Å; N105-H108 PolarHBondContact O-N 3.33Å; N105-K109 WeakPolarHBondContact O-CG 3.21Å; N105-K109 PolarHBondContact O-N 2.97Å; N105-K109 VanDerWaalsContact O-N 3.12Å
106D94.4Very high92.7Very high0 Ų071.9 Ų71.90%036%0.359CS..Hα-helixtrans-64.9-47.4174.9-55.2-48.8000110L96 N97 R99 V102 T103 H108 K109 I110L96-D106 HydrophobicContact CD1-CB 4.29Å; L96-D106 HydrophobicContact CG-CB 4.3Å; N97-D106 PolarHBondContact ND2-OD1 2.91Å; R99-D106 IonicContact CZ-OD2 3.39Å; R99-D106 IonicContact NH2-OD1 2.82Å; R99-D106 PolarHBondContact NH2-OD1 2.9Å; R99-D106 IonicContact NH2-OD2 3.5Å; R99-D106 PolarHBondContact NH2-OD2 2.96Å; V102-D106 HydrophobicContact CG1-CB 4.14Å; T103-D106 WeakPolarHBondContact CB-OD2 3.43Å; T103-D106 PolarHBondContact N-OD2 3.45Å; T103-D106 PolarHBondContact O-N 3.36Å; T103-D106 VanDerWaalsContact OG1-CG 3.29Å; T103-D106 PolarHBondContact OG1-N 3.33Å; T103-D106 PolarHBondContact OG1-OD2 3.18Å; D106-H108 VanDerWaalsContact C-N 3.3Å; D106-H108 PolarHBondContact O-N 2.67Å; D106-K109 WeakPolarHBondContact O-CB 3.34Å; D106-K109 PolarHBondContact O-N 3.33Å; D106-I110 WeakPolarHBondContact O-CG1 3.49Å; D106-I110 PolarHBondContact O-N 2.98Å; D106-I110 VanDerWaalsContact O-N 3.13Å
107L93.3Very high92.8Very high25 Ų2573.4 Ų73.413%0.13138%0.376CS..Hα-helixtrans-61.9-38175.6-64.3-171.4000112.2L94 V102 T103 K109 I110 W111 L123 F127L94-L107 HydrophobicContact CD2-CD2 4.19Å; V102-L107 HydrophobicContact CG1-CD2 3.55Å; V102-L107 HydrophobicContact CG1-CG 3.69Å; T103-L107 PolarHBondContact O-N 3.38Å; T103-L107 VanDerWaalsContact O-N 3.11Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.3Å; L107-I110 PolarHBondContact O-N 3.05Å; L107-W111 WeakPolarHBondContact O-CB 3.5Å; L107-W111 PolarHBondContact O-N 2.91Å; L107-L123 HydrophobicContact CB-CD1 3.56Å; L107-L123 HydrophobicContact CB-CD2 4.33Å; L107-L123 HydrophobicContact CB-CG 4.46Å; L107-L123 HydrophobicContact CD1-CD1 3.8Å; L107-L123 HydrophobicContact CG-CD1 4.33Å; L107-F127 HydrophobicContact CD1-CB 4.43Å; L107-F127 HydrophobicContact CD1-CD2 3.71Å
108H93.2Very high92.6Very high92 Ų9272.6 Ų72.643%0.42637%0.372SS..Hα-helixtrans-62.3-38.8177.6-166.8-67.2000111.9M104 N105 D106 W111 S112 L123M104-H108 WeakPolarHBondContact O-CB 3.35Å; M104-H108 PolarHBondContact O-N 3.25Å; N105-H108 PolarHBondContact O-N 3.33Å; D106-H108 VanDerWaalsContact C-N 3.3Å; D106-H108 PolarHBondContact O-N 2.67Å; H108-W111 PolarHBondContact O-N 3.37Å; H108-S112 PolarHBondContact CE1-OG 2.94Å; H108-S112 VanDerWaalsContact CE1-OG 3.26Å; H108-S112 PolarHBondContact ND1-OG 3.33Å; H108-S112 VanDerWaalsContact O-CB 3.3Å; H108-S112 WeakPolarHBondContact O-CB 3.28Å; H108-S112 PolarHBondContact O-N 2.97Å; H108-S112 PolarHBondContact O-OG 3.46Å; H108-L123 HydrophobicContact CB-CD2 4.16Å
109K93.2Very high92.5Very high101 Ų10171.9 Ų71.944%0.43936%0.364SS..Hα-helixtrans-62.7-44.9174.7-70.8170.8-179.6176.40111.2L96 N105 D106 L107 R113L96-K109 HydrophobicContact CD1-CB 3.79Å; L96-K109 HydrophobicContact CD1-CD 3.82Å; L96-K109 HydrophobicContact CD1-CG 4.48Å; N105-K109 WeakPolarHBondContact O-CG 3.21Å; N105-K109 PolarHBondContact O-N 2.97Å; N105-K109 VanDerWaalsContact O-N 3.12Å; D106-K109 WeakPolarHBondContact O-CB 3.34Å; D106-K109 PolarHBondContact O-N 3.33Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.3Å; K109-R113 WeakPolarHBondContact O-CB 3.39Å; K109-R113 PolarHBondContact O-N 2.89Å
110I91.9Very high92.1Very high29 Ų2971.3 Ų71.315%0.14938%0.375CS..Hα-helixtrans-64.5-48.1176.9-63.2173.3000110.2L94 L96 D106 L107 S112 R113 Y114L94-I110 HydrophobicContact CB-CD1 4.38Å; L94-I110 HydrophobicContact CD2-CD1 3.79Å; L96-I110 HydrophobicContact CD1-CD1 4.47Å; L96-I110 HydrophobicContact CD1-CG1 4.05Å; L96-I110 HydrophobicContact CD2-CD1 3.98Å; L96-I110 HydrophobicContact CD2-CG1 3.99Å; L96-I110 HydrophobicContact CG-CD1 4.16Å; L96-I110 HydrophobicContact CG-CG1 4.22Å; D106-I110 WeakPolarHBondContact O-CG1 3.49Å; D106-I110 PolarHBondContact O-N 2.98Å; D106-I110 VanDerWaalsContact O-N 3.13Å; L107-I110 PolarHBondContact O-N 3.05Å; I110-S112 PolarHBondContact O-N 3Å; I110-R113 PolarHBondContact O-N 3.07Å; I110-R113 VanDerWaalsContact O-N 3.13Å; I110-Y114 HydrophobicContact CG2-CD2 3.84Å; I110-Y114 HydrophobicContact CG2-CE2 4.48Å; I110-Y114 WeakPolarHBondContact O-CD2 3.43Å; I110-Y114 PolarHBondContact O-N 3.39Å
111W92.7Very high91.9Very high26 Ų2669.1 Ų69.110%0.09837%0.373CS..Hα-helixtrans-60.6-46.4-178-163.6-79.8000111.9L107 H108 R113 L115 L118 L122 L123 I126L107-W111 WeakPolarHBondContact O-CB 3.5Å; L107-W111 PolarHBondContact O-N 2.91Å; H108-W111 PolarHBondContact O-N 3.37Å; W111-R113 PolarHBondContact O-N 2.89Å; W111-L115 HydrophobicContact CD2-CB 4.28Å; W111-L115 HydrophobicContact CD2-CD1 4.43Å; W111-L115 HydrophobicContact CE3-CD1 4.03Å; W111-L115 HydrophobicContact CG-CB 4.35Å; W111-L115 HydrophobicContact CZ3-CD1 4.26Å; W111-L115 PolarHBondContact NE1-O 2.98Å; W111-L115 CarbonylContact O-C 3.01Å; W111-L115 VanDerWaalsContact O-CA 3.27Å; W111-L115 WeakPolarHBondContact O-CA 3.36Å; W111-L115 PolarHBondContact O-N 2.88Å; W111-L118 HydrophobicContact CH2-CB 4.21Å; W111-L118 HydrophobicContact CH2-CD1 3.91Å; W111-L118 HydrophobicContact CZ2-CB 3.29Å; W111-L118 HydrophobicContact CZ2-CD1 3.82Å; W111-L118 HydrophobicContact CZ2-CG 4.21Å; W111-L118 PolarHBondContact NE1-O 3.31Å; W111-L122 HydrophobicContact CH2-CB 4.24Å; W111-L122 HydrophobicContact CH2-CD2 4.01Å; W111-L122 HydrophobicContact CH2-CG 3.97Å; W111-L122 HydrophobicContact CZ2-CB 4.13Å; W111-L122 HydrophobicContact CZ2-CD2 4.23Å; W111-L122 HydrophobicContact CZ2-CG 4.31Å; W111-L123 HydrophobicContact CB-CD2 4.09Å; W111-L123 HydrophobicContact CD2-CB 3.92Å; W111-L123 HydrophobicContact CD2-CD1 4.16Å; W111-L123 HydrophobicContact CD2-CD2 4.33Å; W111-L123 HydrophobicContact CD2-CG 4.34Å; W111-L123 HydrophobicContact CE3-CB 3.94Å; W111-L123 HydrophobicContact CE3-CD1 3.53Å; W111-L123 HydrophobicContact CE3-CD2 4.5Å; W111-L123 HydrophobicContact CE3-CG 4.17Å; W111-L123 HydrophobicContact CG-CD2 4.19Å; W111-L123 HydrophobicContact CH2-CB 4.13Å; W111-L123 HydrophobicContact CZ2-CB 4.09Å; W111-L123 HydrophobicContact CZ3-CB 4.05Å; W111-L123 HydrophobicContact CZ3-CD1 3.89Å; W111-I126 HydrophobicContact CH2-CD1 3.72Å; W111-I126 HydrophobicContact CZ3-CD1 3.8Å
112S91.8Very high91.6Very high66 Ų6670.5 Ų70.546%0.46238%0.383SS..Hα-helixtrans-64.7-29.6177.8-63.70000112.5H108 I110H108-S112 PolarHBondContact CE1-OG 2.94Å; H108-S112 VanDerWaalsContact CE1-OG 3.26Å; H108-S112 PolarHBondContact ND1-OG 3.33Å; H108-S112 VanDerWaalsContact O-CB 3.3Å; H108-S112 WeakPolarHBondContact O-CB 3.28Å; H108-S112 PolarHBondContact O-N 2.97Å; H108-S112 PolarHBondContact O-OG 3.46Å; I110-S112 PolarHBondContact O-N 3Å
113R91.8Very high91.4Very high184 Ų18470.6 Ų70.669%0.69438%0.383SS*.Hα-helixtrans-83.9-43.8-179.2-175.9172.2-178.7-1791113.3K109 I110 W111K109-R113 WeakPolarHBondContact O-CB 3.39Å; K109-R113 PolarHBondContact O-N 2.89Å; I110-R113 PolarHBondContact O-N 3.07Å; I110-R113 VanDerWaalsContact O-N 3.13Å; W111-R113 PolarHBondContact O-N 2.89Å
114Y90Very high91.3Very high144 Ų14475.9 Ų75.957%0.56540%0.4SS*.Hα-helixtrans-112.1-22-168.3-60-72.7000114I110I110-Y114 HydrophobicContact CG2-CD2 3.84Å; I110-Y114 HydrophobicContact CG2-CE2 4.48Å; I110-Y114 WeakPolarHBondContact O-CD2 3.43Å; I110-Y114 PolarHBondContact O-N 3.39Å
115L89.4Confident91.1Very high73 Ų7377.5 Ų77.538%0.38241%0.413SS..  trans-130.143.8-177.3-58.3172.3000112.6W111 S117 L118W111-L115 HydrophobicContact CD2-CB 4.28Å; W111-L115 HydrophobicContact CD2-CD1 4.43Å; W111-L115 HydrophobicContact CE3-CD1 4.03Å; W111-L115 HydrophobicContact CG-CB 4.35Å; W111-L115 HydrophobicContact CZ3-CD1 4.26Å; W111-L115 PolarHBondContact NE1-O 2.98Å; W111-L115 CarbonylContact O-C 3.01Å; W111-L115 VanDerWaalsContact O-CA 3.27Å; W111-L115 WeakPolarHBondContact O-CA 3.36Å; W111-L115 PolarHBondContact O-N 2.88Å; L115-S117 PolarHBondContact O-N 3.28Å; L115-L118 HydrophobicContact CB-CD1 4.09Å; L115-L118 HydrophobicContact CB-CG 4.35Å; L115-L118 HydrophobicContact CD1-CD1 4.14Å; L115-L118 HydrophobicContact CD2-CD1 4.28Å; L115-L118 HydrophobicContact CG-CD1 4.41Å; L115-L118 PolarHBondContact O-N 3.48Å
116P89.2Confident91Very high99 Ų9975.6 Ų75.664%0.64340%0.402SS*.THydrogen-bonded Turntrans-64.1-18-172.328-36.7000113.9
117S91.2Very high90.9Very high109 Ų10976 Ų7676%0.76240%0.404SS*.THydrogen-bonded Turntrans-80.8-15.6178.256.50000114.1L115L115-S117 PolarHBondContact O-N 3.28Å
118L88.2Confident90.9Very high66 Ų6683.2 Ų83.235%0.34643%0.43SS..SBendtrans-87.1138.8-177.9-63.2-177000111.3W111 L115 S120 L122W111-L118 HydrophobicContact CH2-CB 4.21Å; W111-L118 HydrophobicContact CH2-CD1 3.91Å; W111-L118 HydrophobicContact CZ2-CB 3.29Å; W111-L118 HydrophobicContact CZ2-CD1 3.82Å; W111-L118 HydrophobicContact CZ2-CG 4.21Å; W111-L118 PolarHBondContact NE1-O 3.31Å; L115-L118 HydrophobicContact CB-CD1 4.09Å; L115-L118 HydrophobicContact CB-CG 4.35Å; L115-L118 HydrophobicContact CD1-CD1 4.14Å; L115-L118 HydrophobicContact CD2-CD1 4.28Å; L115-L118 HydrophobicContact CG-CD1 4.41Å; L115-L118 PolarHBondContact O-N 3.48Å; L118-S120 PolarHBondContact O-N 2.66Å; L118-L122 HydrophobicContact CD1-CD2 4.49Å
119P89Confident90.7Very high89 Ų8983.9 Ų83.958%0.57843%0.433SS*.  trans-59.8135.7-179.3-23.233000112.7G121 L122P119-G121 PolarHBondContact O-N 3.46Å; P119-G121 VanDerWaalsContact O-N 3.15Å; P119-L122 VanDerWaalsContact O-CB 3.29Å; P119-L122 WeakPolarHBondContact O-CB 3.39Å; P119-L122 PolarHBondContact O-N 2.95Å
120S84.9Confident90.7Very high83 Ų8381.2 Ų81.258%0.5842%0.422SS*.Hα-helixtrans-59.9-26.517659.20000113.3L118 L122 L123 R124L118-S120 PolarHBondContact O-N 2.66Å; S120-L122 VanDerWaalsContact C-N 3.26Å; S120-L122 PolarHBondContact O-N 3.16Å; S120-L123 WeakPolarHBondContact O-CB 3.42Å; S120-L123 PolarHBondContact O-N 3.45Å; S120-R124 PolarHBondContact O-N 3.05Å
121G89Confident90.8Very high43 Ų4380.5 Ų80.544%0.44342%0.418SS..Hα-helixtrans-60.2-34.8172.400000113P119 R124 T125P119-G121 PolarHBondContact O-N 3.46Å; P119-G121 VanDerWaalsContact O-N 3.15Å; G121-R124 PolarHBondContact O-N 3.16Å; G121-T125 PolarHBondContact O-N 3.26Å; G121-T125 PolarHBondContact O-OG1 2.88Å
122L91.5Very high90.6Very high74 Ų7483.9 Ų83.939%0.38744%0.435SS..Hα-helixtrans-67.4-39.8177.6-17961.4000111.3W111 L118 P119 S120 R124 T125 I126W111-L122 HydrophobicContact CH2-CB 4.24Å; W111-L122 HydrophobicContact CH2-CD2 4.01Å; W111-L122 HydrophobicContact CH2-CG 3.97Å; W111-L122 HydrophobicContact CZ2-CB 4.13Å; W111-L122 HydrophobicContact CZ2-CD2 4.23Å; W111-L122 HydrophobicContact CZ2-CG 4.31Å; L118-L122 HydrophobicContact CD1-CD2 4.49Å; P119-L122 VanDerWaalsContact O-CB 3.29Å; P119-L122 WeakPolarHBondContact O-CB 3.39Å; P119-L122 PolarHBondContact O-N 2.95Å; S120-L122 VanDerWaalsContact C-N 3.26Å; S120-L122 PolarHBondContact O-N 3.16Å; L122-R124 VanDerWaalsContact C-N 3.26Å; L122-R124 PolarHBondContact O-N 3.19Å; L122-T125 WeakPolarHBondContact O-CB 3.46Å; L122-T125 PolarHBondContact O-N 3.43Å; L122-T125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CD1-CD1 4.29Å; L122-I126 HydrophobicContact CD1-CG1 4.37Å; L122-I126 HydrophobicContact CD2-CD1 4.48Å; L122-I126 HydrophobicContact CG-CD1 3.89Å; L122-I126 HydrophobicContact CG-CG1 4.42Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.33Å
123L92.1Very high90.6Very high6 Ų685.7 Ų85.73%0.03144%0.439CS..Hα-helixtrans-58.1-41.3177.2174.461.8000111.6M104 L107 H108 W111 S120 T125 I126 F127M104-L123 HydrophobicContact SD-CD2 4.31Å; M104-L123 HydrophobicContact SD-CG 4.07Å; L107-L123 HydrophobicContact CB-CD1 3.56Å; L107-L123 HydrophobicContact CB-CD2 4.33Å; L107-L123 HydrophobicContact CB-CG 4.46Å; L107-L123 HydrophobicContact CD1-CD1 3.8Å; L107-L123 HydrophobicContact CG-CD1 4.33Å; H108-L123 HydrophobicContact CB-CD2 4.16Å; W111-L123 HydrophobicContact CB-CD2 4.09Å; W111-L123 HydrophobicContact CD2-CB 3.92Å; W111-L123 HydrophobicContact CD2-CD1 4.16Å; W111-L123 HydrophobicContact CD2-CD2 4.33Å; W111-L123 HydrophobicContact CD2-CG 4.34Å; W111-L123 HydrophobicContact CE3-CB 3.94Å; W111-L123 HydrophobicContact CE3-CD1 3.53Å; W111-L123 HydrophobicContact CE3-CD2 4.5Å; W111-L123 HydrophobicContact CE3-CG 4.17Å; W111-L123 HydrophobicContact CG-CD2 4.19Å; W111-L123 HydrophobicContact CH2-CB 4.13Å; W111-L123 HydrophobicContact CZ2-CB 4.09Å; W111-L123 HydrophobicContact CZ3-CB 4.05Å; W111-L123 HydrophobicContact CZ3-CD1 3.89Å; S120-L123 WeakPolarHBondContact O-CB 3.42Å; S120-L123 PolarHBondContact O-N 3.45Å; L123-T125 VanDerWaalsContact C-N 3.34Å; L123-T125 PolarHBondContact O-N 2.94Å; L123-I126 PolarHBondContact O-N 3.46Å; L123-F127 WeakPolarHBondContact O-CB 3.47Å; L123-F127 PolarHBondContact O-N 3.13Å
124R91.8Very high90.6Very high135 Ų13582 Ų8251%0.50944%0.44SS..Hα-helixtrans-64.4-39.7177.7-169.3-175.5-50.7-78.1-5.4112.3M104 S120 G121 L122 R128M104-R124 HydrophobicContact CE-CB 4.45Å; M104-R124 HydrophobicContact CE-CG 4.2Å; S120-R124 PolarHBondContact O-N 3.05Å; G121-R124 PolarHBondContact O-N 3.16Å; L122-R124 VanDerWaalsContact C-N 3.26Å; L122-R124 PolarHBondContact O-N 3.19Å; R124-R128 WeakPolarHBondContact O-CG 3.31Å; R124-R128 PolarHBondContact O-N 2.84Å
125T91.7Very high90.9Very high87 Ų8779.1 Ų79.153%0.53444%0.435SS..Hα-helixtrans-64.8-46.5176.4-57.40000110.9G121 L122 L123 R128 E129G121-T125 PolarHBondContact O-N 3.26Å; G121-T125 PolarHBondContact O-OG1 2.88Å; L122-T125 WeakPolarHBondContact O-CB 3.46Å; L122-T125 PolarHBondContact O-N 3.43Å; L122-T125 VanDerWaalsContact O-N 3.13Å; L123-T125 VanDerWaalsContact C-N 3.34Å; L123-T125 PolarHBondContact O-N 2.94Å; T125-R128 PolarHBondContact O-N 3.43Å; T125-E129 PolarHBondContact O-N 3.24Å
126I90.4Very high91.2Very high56 Ų5677.5 Ų77.529%0.28744%0.435SS..Hα-helixtrans-60.6-48.4178-67.1167.2000110.4W111 L122 L123 R128 E129 F130W111-I126 HydrophobicContact CH2-CD1 3.72Å; W111-I126 HydrophobicContact CZ3-CD1 3.8Å; L122-I126 HydrophobicContact CD1-CD1 4.29Å; L122-I126 HydrophobicContact CD1-CG1 4.37Å; L122-I126 HydrophobicContact CD2-CD1 4.48Å; L122-I126 HydrophobicContact CG-CD1 3.89Å; L122-I126 HydrophobicContact CG-CG1 4.42Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.33Å; L123-I126 PolarHBondContact O-N 3.46Å; I126-R128 VanDerWaalsContact C-N 3.28Å; I126-R128 PolarHBondContact O-N 2.95Å; I126-E129 WeakPolarHBondContact O-CB 3.38Å; I126-E129 PolarHBondContact O-N 3.37Å; I126-F130 HydrophobicContact CG2-CD2 4.12Å; I126-F130 HydrophobicContact CG2-CE2 4.14Å; I126-F130 WeakPolarHBondContact O-CD2 3.19Å; I126-F130 PolarHBondContact O-N 3.33Å
127F93.5Very high91.5Very high9 Ų978.4 Ų78.44%0.03943%0.426CS..Hα-helixtrans-57.1-43-179.4-174.6-90.7000112.3M104 L107 L123 E129 F130 D131 G136 V138M104-F127 HydrophobicContact CB-CD2 4.47Å; M104-F127 HydrophobicContact CB-CE2 4.43Å; M104-F127 HydrophobicContact CE-CB 3.4Å; M104-F127 VanDerWaalsContact CE-CB 3.4Å; M104-F127 HydrophobicContact CE-CD1 3.5Å; M104-F127 VanDerWaalsContact CE-CD1 3.5Å; M104-F127 HydrophobicContact CE-CD2 4.19Å; M104-F127 HydrophobicContact CE-CE1 4.33Å; M104-F127 HydrophobicContact CE-CG 3.4Å; M104-F127 VanDerWaalsContact CE-CG 3.4Å; M104-F127 VanDerWaalsContact N-CE2 3.31Å; M104-F127 HydrophobicContact SD-CB 4.06Å; M104-F127 HydrophobicContact SD-CG 4.19Å; L107-F127 HydrophobicContact CD1-CB 4.43Å; L107-F127 HydrophobicContact CD1-CD2 3.71Å; L123-F127 WeakPolarHBondContact O-CB 3.47Å; L123-F127 PolarHBondContact O-N 3.13Å; F127-E129 PolarHBondContact O-N 3.47Å; F127-F130 PolarHBondContact O-N 3.29Å; F127-D131 HydrophobicContact CD1-CB 4.09Å; F127-D131 HydrophobicContact CE1-CB 3.76Å; F127-D131 WeakPolarHBondContact CE1-OD2 3.28Å; F127-D131 HydrophobicContact CZ-CB 4.33Å; F127-D131 WeakPolarHBondContact O-CB 3.49Å; F127-D131 PolarHBondContact O-N 2.85Å; F127-G136 WeakPolarHBondContact CZ-O 3.5Å; F127-V138 HydrophobicContact CD2-CG2 4.05Å; F127-V138 HydrophobicContact CE2-CG2 3.68Å; F127-V138 HydrophobicContact CZ-CG2 4.03Å
128R92.4Very high91.7Very high176 Ų17673.6 Ų73.666%0.66439%0.392SS*.Hα-helixtrans-64.9-24.9177.3-74.2175.6174.6-179.1-3114R124 T125 I126 F130R124-R128 WeakPolarHBondContact O-CG 3.31Å; R124-R128 PolarHBondContact O-N 2.84Å; T125-R128 PolarHBondContact O-N 3.43Å; I126-R128 VanDerWaalsContact C-N 3.28Å; I126-R128 PolarHBondContact O-N 2.95Å; R128-F130 VanDerWaalsContact C-N 3.31Å
129E90.2Very high92Very high106 Ų10672.3 Ų72.350%0.49539%0.388SS..Hα-helixtrans-76.8-23.7174.5-172.7171.9-173.500111.7T125 I126 F127 Q132 T146T125-E129 PolarHBondContact O-N 3.24Å; I126-E129 WeakPolarHBondContact O-CB 3.38Å; I126-E129 PolarHBondContact O-N 3.37Å; F127-E129 PolarHBondContact O-N 3.47Å; E129-Q132 PolarHBondContact O-NE2 2.99Å; E129-T146 HydrophobicContact CG-CG2 4.3Å; E129-T146 PolarHBondContact O-OG1 3.08Å
130F92.1Very high92.2Very high46 Ų4669.8 Ų69.820%0.20237%0.368CS..Hα-helixtrans-91.8-40.6176.9-81-100.9000112.5I126 F127 R128 Q132 V138 D142 Y143 T146 T147I126-F130 HydrophobicContact CG2-CD2 4.12Å; I126-F130 HydrophobicContact CG2-CE2 4.14Å; I126-F130 WeakPolarHBondContact O-CD2 3.19Å; I126-F130 PolarHBondContact O-N 3.33Å; F127-F130 PolarHBondContact O-N 3.29Å; R128-F130 VanDerWaalsContact C-N 3.31Å; F130-Q132 PolarHBondContact O-N 2.88Å; F130-V138 HydrophobicContact CB-CB 4.43Å; F130-V138 HydrophobicContact CB-CG1 3.84Å; F130-V138 HydrophobicContact CB-CG2 3.65Å; F130-V138 HydrophobicContact CD1-CG1 4.23Å; F130-D142 WeakPolarHBondContact O-CB 3.31Å; F130-Y143 HydrophobicContact CD1-CD2 4.08Å; F130-Y143 AromaticContact CE1-CD2 3.7Å; F130-Y143 HydrophobicContact CE1-CD2 3.7Å; F130-Y143 HydrophobicContact CE1-CE2 4.12Å; F130-T146 HydrophobicContact CD1-CG2 3.95Å; F130-T146 HydrophobicContact CD2-CG2 3.88Å; F130-T146 HydrophobicContact CE1-CG2 3.77Å; F130-T146 HydrophobicContact CE2-CG2 3.7Å; F130-T146 HydrophobicContact CG-CG2 4.02Å; F130-T146 HydrophobicContact CZ-CG2 3.64Å; F130-T147 HydrophobicContact CE1-CG2 4.16Å
131D94.3Very high92.4Very high13 Ų1371.6 Ų71.67%0.0737%0.367CS..  trans-7380.1179.11807.5000111.2F127 C134 D135 G136 V138F127-D131 HydrophobicContact CD1-CB 4.09Å; F127-D131 HydrophobicContact CE1-CB 3.76Å; F127-D131 WeakPolarHBondContact CE1-OD2 3.28Å; F127-D131 HydrophobicContact CZ-CB 4.33Å; F127-D131 WeakPolarHBondContact O-CB 3.49Å; F127-D131 PolarHBondContact O-N 2.85Å; D131-C134 PolarHBondContact O-N 3.14Å; D131-C134 WeakPolarHBondContact OD1-CA 3.48Å; D131-C134 PolarHBondContact OD1-N 3.31Å; D131-D135 PolarHBondContact OD1-N 3.45Å; D131-D135 VanDerWaalsContact OD1-N 3.08Å; D131-G136 VanDerWaalsContact OD2-CA 3.29Å; D131-G136 WeakPolarHBondContact OD2-CA 3.29Å; D131-G136 PolarHBondContact OD2-N 2.71Å; D131-G136 VanDerWaalsContact OD2-N 3.07Å; D131-V138 HydrophobicContact CB-CG2 4.15Å
132Q88.8Confident92.5Very high98 Ų9870.5 Ų70.546%0.45835%0.351SS..SBendtrans-69.8-35.7-169.4-69.6-66.4-56.200113.1E129 F130E129-Q132 PolarHBondContact O-NE2 2.99Å; F130-Q132 PolarHBondContact O-N 2.88Å
133D91.4Very high92.5Very high104 Ų10468.4 Ų68.456%0.55634%0.338SS*.SBendtrans-93.8-1.5179.770.8-3000113.3D135D133-D135 VanDerWaalsContact C-N 3.26Å; D133-D135 PolarHBondContact O-N 3.22Å; D133-D135 WeakPolarHBondContact OD1-CB 3.34Å; D133-D135 PolarHBondContact OD1-N 3.32Å
134C92.1Very high92.2Very high106 Ų10668.4 Ų68.472%0.71634%0.338SS*.  trans60.830.2178.1-61.70000113.4D131 G136D131-C134 PolarHBondContact O-N 3.14Å; D131-C134 WeakPolarHBondContact OD1-CA 3.48Å; D131-C134 PolarHBondContact OD1-N 3.31Å; C134-G136 PolarHBondContact O-N 3.26Å
135D95.9Very high91.8Very high84 Ų8467.9 Ų67.945%0.44934%0.341SS..SBendtrans-79.1-6.3177.791.6-20.3000113.1D131 D133 R137D131-D135 PolarHBondContact OD1-N 3.45Å; D131-D135 VanDerWaalsContact OD1-N 3.08Å; D133-D135 VanDerWaalsContact C-N 3.26Å; D133-D135 PolarHBondContact O-N 3.22Å; D133-D135 WeakPolarHBondContact OD1-CB 3.34Å; D133-D135 PolarHBondContact OD1-N 3.32Å; D135-R137 VanDerWaalsContact OD1-CA 3.29Å; D135-R137 WeakPolarHBondContact OD1-CA 3.49Å; D135-R137 WeakPolarHBondContact OD1-CB 3.44Å; D135-R137 PolarHBondContact OD1-N 3.01Å
136G95.2Very high91.1Very high38 Ų3865.6 Ų65.639%0.39233%0.327SS..SBendtrans86.213.9-178.100000113.8F127 D131 C134F127-G136 WeakPolarHBondContact CZ-O 3.5Å; D131-G136 VanDerWaalsContact OD2-CA 3.29Å; D131-G136 WeakPolarHBondContact OD2-CA 3.29Å; D131-G136 PolarHBondContact OD2-N 2.71Å; D131-G136 VanDerWaalsContact OD2-N 3.07Å; C134-G136 PolarHBondContact O-N 3.26Å
137R96.2Very high90.1Very high119 Ų11965 Ų6545%0.44933%0.326SS..EExtended strand (participates in β ladder)trans-134.4151.8178.5-50174.6177.9168.3-0.2108.7F101 D135F101-R137 HydrophobicContact CB-CB 4.15Å; F101-R137 HydrophobicContact CD2-CB 4.01Å; F101-R137 HydrophobicContact CD2-CG 3.91Å; F101-R137 HydrophobicContact CE2-CG 4.28Å; F101-R137 HydrophobicContact CG-CB 4.28Å; F101-R137 HydrophobicContact CG-CG 4.44Å; D135-R137 VanDerWaalsContact OD1-CA 3.29Å; D135-R137 WeakPolarHBondContact OD1-CA 3.49Å; D135-R137 WeakPolarHBondContact OD1-CB 3.44Å; D135-R137 PolarHBondContact OD1-N 3.01Å
138V95.9Very high88.6Confident7 Ų769.8 Ų69.84%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-112.4104.4169.8176.10000106.2F91 F101 V102 F127 F130 D131 D142F91-V138 WeakPolarHBondContact CZ-O 3.48Å; F101-V138 CarbonylContact C-O 3.58Å; F101-V138 WeakPolarHBondContact CA-O 3.38Å; V102-V138 HydrophobicContact CB-CB 4.33Å; V102-V138 PolarHBondContact N-O 2.88Å; V102-V138 PolarHBondContact O-N 2.85Å; F127-V138 HydrophobicContact CD2-CG2 4.05Å; F127-V138 HydrophobicContact CE2-CG2 3.68Å; F127-V138 HydrophobicContact CZ-CG2 4.03Å; F130-V138 HydrophobicContact CB-CB 4.43Å; F130-V138 HydrophobicContact CB-CG1 3.84Å; F130-V138 HydrophobicContact CB-CG2 3.65Å; F130-V138 HydrophobicContact CD1-CG1 4.23Å; D131-V138 HydrophobicContact CB-CG2 4.15Å; V138-D142 HydrophobicContact CG1-CB 3.85Å
139S94.6Very high86.9Confident39 Ų3964.7 Ų64.727%0.27333%0.33SS..EExtended strand (participates in β ladder)trans-70.1169.2172.870.80000111.3F91 E141 D142 Y143F91-S139 WeakPolarHBondContact CE2-O 3.26Å; S139-E141 PolarHBondContact O-N 3.29Å; S139-E141 PolarHBondContact OG-N 3.17Å; S139-D142 VanDerWaalsContact CB-OD2 3.29Å; S139-D142 WeakPolarHBondContact CB-OD2 3.19Å; S139-D142 PolarHBondContact N-OD2 3.22Å; S139-D142 WeakPolarHBondContact O-CB 3.39Å; S139-D142 PolarHBondContact O-N 2.93Å; S139-D142 PolarHBondContact OG-N 3.45Å; S139-D142 VanDerWaalsContact OG-N 3.08Å; S139-D142 PolarHBondContact OG-OD2 2.89Å; S139-Y143 PolarHBondContact O-N 3.04Å
140Y92Very high84.9Confident36 Ų3667.8 Ų67.814%0.14134%0.341CS..Hα-helixtrans-61.5-33.5171.6-176.2-120.6000111.8D84 N87 R88 F91 Y143 L144D84-Y140 PolarHBondContact O-OH 3.32Å; D84-Y140 PolarHBondContact OD1-OH 2.91Å; N87-Y140 HydrophobicContact CB-CE2 4.38Å; R88-Y140 HydrophobicContact CB-CE2 4.33Å; R88-Y140 PolarHBondContact N-OH 3.13Å; F91-Y140 HydrophobicContact CB-CD2 3.72Å; F91-Y140 HydrophobicContact CB-CE2 3.98Å; F91-Y140 AromaticContact CD1-CD2 3.93Å; F91-Y140 HydrophobicContact CD1-CD2 3.93Å; F91-Y140 HydrophobicContact CD2-CD2 4.07Å; F91-Y140 AromaticContact CG-CD2 3.64Å; F91-Y140 HydrophobicContact CG-CD2 3.64Å; F91-Y140 HydrophobicContact CG-CE2 4.4Å; Y140-Y143 HydrophobicContact CD2-CD1 4.3Å; Y140-Y143 HydrophobicContact CE2-CD1 4.22Å; Y140-Y143 WeakPolarHBondContact O-CB 3.22Å; Y140-Y143 PolarHBondContact O-N 3.11Å; Y140-L144 HydrophobicContact CD1-CD1 3.91Å; Y140-L144 HydrophobicContact CD1-CG 4.25Å; Y140-L144 HydrophobicContact CD2-CG 4.38Å; Y140-L144 HydrophobicContact CE1-CD1 3.4Å; Y140-L144 HydrophobicContact CE1-CD2 4.41Å; Y140-L144 HydrophobicContact CE1-CG 3.87Å; Y140-L144 HydrophobicContact CE2-CD1 4.43Å; Y140-L144 HydrophobicContact CE2-CD2 4.11Å; Y140-L144 HydrophobicContact CE2-CG 3.99Å; Y140-L144 WeakPolarHBondContact O-CB 3.17Å; Y140-L144 WeakPolarHBondContact O-CG 3.45Å; Y140-L144 PolarHBondContact O-N 3.35Å
141E89.4Confident82.6Confident122 Ų12269.5 Ų69.557%0.5735%0.351SS*.Hα-helixtrans-69.7-38.2176.5-72.2-63.8171.200112.3S139 L144 H145S139-E141 PolarHBondContact O-N 3.29Å; S139-E141 PolarHBondContact OG-N 3.17Å; E141-L144 CarbonylContact O-C 3.59Å; E141-L144 PolarHBondContact O-N 2.84Å; E141-H145 VanDerWaalsContact O-CB 3.3Å; E141-H145 WeakPolarHBondContact O-CB 3.39Å; E141-H145 PolarHBondContact O-N 2.69Å
142D92.2Very high82Confident19 Ų1972.4 Ų72.410%0.10237%0.365CS..Hα-helixtrans-60.5-47.8171.7-68.3-48.4000111.1F130 V138 S139 L144 H145 T146F130-D142 WeakPolarHBondContact O-CB 3.31Å; V138-D142 HydrophobicContact CG1-CB 3.85Å; S139-D142 VanDerWaalsContact CB-OD2 3.29Å; S139-D142 WeakPolarHBondContact CB-OD2 3.19Å; S139-D142 PolarHBondContact N-OD2 3.22Å; S139-D142 WeakPolarHBondContact O-CB 3.39Å; S139-D142 PolarHBondContact O-N 2.93Å; S139-D142 PolarHBondContact OG-N 3.45Å; S139-D142 VanDerWaalsContact OG-N 3.08Å; S139-D142 PolarHBondContact OG-OD2 2.89Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.31Å; D142-H145 PolarHBondContact O-N 2.98Å; D142-T146 PolarHBondContact O-N 3.04Å; D142-T146 PolarHBondContact O-OG1 2.91Å
143Y90.1Very high81.6Confident31 Ų3171 Ų7112%0.12236%0.36CS..Hα-helixtrans-57.5-47.2175.6-179.8-100.2000111.4N87 S90 F91 L94 F130 S139 Y140 T146 T147N87-Y143 HydrophobicContact CB-CE1 4.26Å; N87-Y143 WeakPolarHBondContact O-CE1 3.18Å; S90-Y143 WeakPolarHBondContact CB-OH 3.25Å; S90-Y143 PolarHBondContact OG-OH 2.85Å; F91-Y143 HydrophobicContact CB-CD1 4.08Å; F91-Y143 HydrophobicContact CB-CE1 4.21Å; F91-Y143 HydrophobicContact CB-CG 4.48Å; F91-Y143 AromaticContact CD2-CD1 3.99Å; F91-Y143 HydrophobicContact CD2-CD1 3.99Å; F91-Y143 HydrophobicContact CD2-CD2 4.04Å; F91-Y143 AromaticContact CD2-CG 3.59Å; F91-Y143 HydrophobicContact CD2-CG 3.59Å; F91-Y143 HydrophobicContact CE2-CG 4.33Å; F91-Y143 HydrophobicContact CG-CD1 4.47Å; F91-Y143 HydrophobicContact CG-CG 4.48Å; L94-Y143 HydrophobicContact CD1-CD2 4.47Å; L94-Y143 HydrophobicContact CD1-CE2 4.04Å; F130-Y143 HydrophobicContact CD1-CD2 4.08Å; F130-Y143 AromaticContact CE1-CD2 3.7Å; F130-Y143 HydrophobicContact CE1-CD2 3.7Å; F130-Y143 HydrophobicContact CE1-CE2 4.12Å; S139-Y143 PolarHBondContact O-N 3.04Å; Y140-Y143 HydrophobicContact CD2-CD1 4.3Å; Y140-Y143 HydrophobicContact CE2-CD1 4.22Å; Y140-Y143 WeakPolarHBondContact O-CB 3.22Å; Y140-Y143 PolarHBondContact O-N 3.11Å; Y143-T146 PolarHBondContact O-N 2.78Å; Y143-T147 HydrophobicContact CD1-CG2 4.33Å; Y143-T147 HydrophobicContact CD2-CG2 4.23Å; Y143-T147 HydrophobicContact CE1-CG2 4.02Å; Y143-T147 HydrophobicContact CE2-CG2 3.91Å; Y143-T147 HydrophobicContact CG-CG2 4.43Å; Y143-T147 VanDerWaalsContact O-CB 3.28Å; Y143-T147 WeakPolarHBondContact O-CB 3.29Å; Y143-T147 WeakPolarHBondContact O-CG2 3.46Å; Y143-T147 PolarHBondContact O-N 2.79Å; Y143-T147 PolarHBondContact O-OG1 2.89Å
144L86.3Confident81.1Confident6 Ų669.2 Ų69.23%0.03135%0.35CS..Hα-helixtrans-64.3-40.7175.9-77.5-172.6000111.9N87 Y140 E141 D142 T146 T147 K148N87-L144 HydrophobicContact CB-CD2 3.72Å; N87-L144 WeakPolarHBondContact ND2-CD2 3.36Å; Y140-L144 HydrophobicContact CD1-CD1 3.91Å; Y140-L144 HydrophobicContact CD1-CG 4.25Å; Y140-L144 HydrophobicContact CD2-CG 4.38Å; Y140-L144 HydrophobicContact CE1-CD1 3.4Å; Y140-L144 HydrophobicContact CE1-CD2 4.41Å; Y140-L144 HydrophobicContact CE1-CG 3.87Å; Y140-L144 HydrophobicContact CE2-CD1 4.43Å; Y140-L144 HydrophobicContact CE2-CD2 4.11Å; Y140-L144 HydrophobicContact CE2-CG 3.99Å; Y140-L144 WeakPolarHBondContact O-CB 3.17Å; Y140-L144 WeakPolarHBondContact O-CG 3.45Å; Y140-L144 PolarHBondContact O-N 3.35Å; E141-L144 CarbonylContact O-C 3.59Å; E141-L144 PolarHBondContact O-N 2.84Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.31Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 2.79Å; L144-T147 WeakPolarHBondContact CA-OG1 3.24Å; L144-T147 PolarHBondContact O-N 2.81Å; L144-T147 PolarHBondContact O-OG1 3.33Å; L144-K148 HydrophobicContact CB-CD 4.17Å; L144-K148 WeakPolarHBondContact O-CA 3.5Å; L144-K148 WeakPolarHBondContact O-CB 3.24Å; L144-K148 WeakPolarHBondContact O-CD 3.37Å; L144-K148 WeakPolarHBondContact O-CG 3.47Å; L144-K148 PolarHBondContact O-N 3.13Å
145H82.1Confident80.4Confident124 Ų12467 Ų6757%0.57433%0.328SS*.Hα-helixtrans-65.4-38.9-179-171.4-101.2000111.6E141 D142E141-H145 VanDerWaalsContact O-CB 3.3Å; E141-H145 WeakPolarHBondContact O-CB 3.39Å; E141-H145 PolarHBondContact O-N 2.69Å; D142-H145 PolarHBondContact O-N 2.98Å
146T77.4Confident79.5Confident39 Ų3965.9 Ų65.924%0.23932%0.32CS..Hα-helixtrans-78.7-27.2177.5-57.60000112.6E129 F130 D142 Y143 L144E129-T146 HydrophobicContact CG-CG2 4.3Å; E129-T146 PolarHBondContact O-OG1 3.08Å; F130-T146 HydrophobicContact CD1-CG2 3.95Å; F130-T146 HydrophobicContact CD2-CG2 3.88Å; F130-T146 HydrophobicContact CE1-CG2 3.77Å; F130-T146 HydrophobicContact CE2-CG2 3.7Å; F130-T146 HydrophobicContact CG-CG2 4.02Å; F130-T146 HydrophobicContact CZ-CG2 3.64Å; D142-T146 PolarHBondContact O-N 3.04Å; D142-T146 PolarHBondContact O-OG1 2.91Å; Y143-T146 PolarHBondContact O-N 2.78Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 2.79Å
147T70.4Confident78.4Confident42 Ų4267.8 Ų67.826%0.25832%0.316SS..Hα-helixtrans-90.8-21.3176.757.40000114.1F130 Y143 L144 F149F130-T147 HydrophobicContact CE1-CG2 4.16Å; Y143-T147 HydrophobicContact CD1-CG2 4.33Å; Y143-T147 HydrophobicContact CD2-CG2 4.23Å; Y143-T147 HydrophobicContact CE1-CG2 4.02Å; Y143-T147 HydrophobicContact CE2-CG2 3.91Å; Y143-T147 HydrophobicContact CG-CG2 4.43Å; Y143-T147 VanDerWaalsContact O-CB 3.28Å; Y143-T147 WeakPolarHBondContact O-CB 3.29Å; Y143-T147 WeakPolarHBondContact O-CG2 3.46Å; Y143-T147 PolarHBondContact O-N 2.79Å; Y143-T147 PolarHBondContact O-OG1 2.89Å; L144-T147 WeakPolarHBondContact CA-OG1 3.24Å; L144-T147 PolarHBondContact O-N 2.81Å; L144-T147 PolarHBondContact O-OG1 3.33Å; T147-F149 PolarHBondContact O-N 3.3Å
148K61.4Low77.2Confident111 Ų11164.1 Ų64.148%0.48331%0.306SS..SBendtrans-69.2131.1174.2-80.5165.9-178.31670108.4L144L144-K148 HydrophobicContact CB-CD 4.17Å; L144-K148 WeakPolarHBondContact O-CA 3.5Å; L144-K148 WeakPolarHBondContact O-CB 3.24Å; L144-K148 WeakPolarHBondContact O-CD 3.37Å; L144-K148 WeakPolarHBondContact O-CG 3.47Å; L144-K148 PolarHBondContact O-N 3.13Å
149F56Low75.7Confident68 Ų6868.5 Ų68.530%0.29833%0.326SS..  trans-53.1137.8-171-53.4-68.9000112.7Y33 F76 T147 M151Y33-F149 HydrophobicContact CD1-CB 4.25Å; Y33-F149 AromaticContact CD1-CD1 3.44Å; Y33-F149 HydrophobicContact CD1-CD1 3.44Å; Y33-F149 VanDerWaalsContact CD1-CD1 3.44Å; Y33-F149 AromaticContact CD1-CE1 3.83Å; Y33-F149 HydrophobicContact CD1-CE1 3.83Å; Y33-F149 AromaticContact CD1-CG 3.9Å; Y33-F149 HydrophobicContact CD1-CG 3.9Å; Y33-F149 AromaticContact CG-CD1 3.99Å; Y33-F149 HydrophobicContact CG-CD1 3.99Å; Y33-F149 HydrophobicContact CG-CE1 4.2Å; Y33-F149 WeakPolarHBondContact O-CD1 3.4Å; F76-F149 HydrophobicContact CD2-CE2 4.26Å; F76-F149 HydrophobicContact CD2-CZ 4.25Å; F76-F149 HydrophobicContact CE2-CZ 4.3Å; F76-F149 HydrophobicContact CG-CE2 4.31Å; F76-F149 HydrophobicContact CG-CZ 4.39Å; F76-F149 HydrophobicContact CZ-CZ 4.49Å; T147-F149 PolarHBondContact O-N 3.3Å; F149-M151 PolarHBondContact O-N 2.92Å
150K50Low74.1Confident171 Ų17171 Ų7174%0.74333%0.331SS*.  trans-73.831174.5-73.1-176.6176.7171.10113.5
151M42.3Very low72.5Confident83 Ų8374.2 Ų74.241%0.40935%0.348SS..  trans-104.80177.9-85-161.4-176.200113.6L5 L32 Y33 V69 Q73 F149L5-M151 HydrophobicContact CD2-CE 3.98Å; L32-M151 HydrophobicContact CB-CE 3.51Å; L32-M151 HydrophobicContact CD1-CE 3.4Å; L32-M151 HydrophobicContact CD2-CE 3.47Å; L32-M151 VanDerWaalsContact CD2-CE 3.47Å; L32-M151 HydrophobicContact CG-CE 3.56Å; Y33-M151 HydrophobicContact CE1-CE 4.02Å; Y33-M151 HydrophobicContact CE1-SD 3.98Å; Y33-M151 HydrophobicContact CE2-CE 4.3Å; V69-M151 HydrophobicContact CG1-CE 3.69Å; V69-M151 HydrophobicContact CG1-SD 3.85Å; V69-M151 HydrophobicContact CG2-CE 4.22Å; Q73-M151 HydrophobicContact CG-SD 4.47Å; Q73-M151 PolarHBondContact NE2-SD 3.5Å; F149-M151 PolarHBondContact O-N 2.92Å

Retrieved 151 of 151 residues in 267.7 ms (Link to these results)

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