A0A077ZKM8_TRITR Loading...

EGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 252 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
1M74.7Confident89.3Confident185 Ų18574.9 Ų74.991%0.91144%0.439SS*.  0116.60-155.317097.900106.8S4M1-S4 PolarHBondContact O-N 3.34Å; M1-S4 PolarHBondContact O-OG 3.18Å
2P85.1Confident89.8Confident47 Ų4775.4 Ų75.431%0.30545%0.449SS..G310 helixtrans-72.2-32.5-165.426.7-32.7000113.6S4 N5 V15 A20P2-S4 PolarHBondContact O-N 3.41Å; P2-N5 PolarHBondContact O-N 3.35Å; P2-V15 HydrophobicContact CG-CB 4.24Å; P2-V15 HydrophobicContact CG-CG1 3.61Å; P2-V15 HydrophobicContact CG-CG2 3.67Å; P2-A20 HydrophobicContact CB-CB 3.85Å; P2-A20 HydrophobicContact CG-CB 4.33Å
3C90Very high90.2Very high33 Ų3373 Ų7322%0.22344%0.438CS..G310 helixtrans-64.1-8.6174.7-70.60000115.1N5 C13C3-N5 VanDerWaalsContact C-N 3.32Å; C3-C13 WeakPolarHBondContact CA-SG 3.43Å; C3-C13 HydrophobicContact CB-CB 3.85Å; C3-C13 WeakPolarHBondContact CB-SG 3.2Å; C3-C13 WeakPolarHBondContact SG-CB 3.48Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 3.37Å
4S89.2Confident90.6Very high83 Ų8372.4 Ų72.458%0.5843%0.43SS*.G310 helixtrans-73.6-25.1176.9-60.40000113.1M1 P2M1-S4 PolarHBondContact O-N 3.34Å; M1-S4 PolarHBondContact O-OG 3.18Å; P2-S4 PolarHBondContact O-N 3.41Å
5N87.7Confident90.7Very high159 Ų15972.7 Ų72.785%0.8543%0.433SS*.SBendtrans-114.68.1-179.3-71.8-17.8000112.6P2 C3P2-N5 PolarHBondContact O-N 3.35Å; C3-N5 VanDerWaalsContact C-N 3.32Å
6F90.8Very high90.7Very high33 Ų3372.3 Ų72.315%0.14543%0.431CS..  trans-127122.3-175.9-172.4-103.3000109.5A20 C22 E31 H32F6-A20 HydrophobicContact CB-CB 3.76Å; F6-A20 HydrophobicContact CD1-CB 3.7Å; F6-A20 HydrophobicContact CE1-CB 4.46Å; F6-A20 HydrophobicContact CG-CB 3.83Å; F6-C22 HydrophobicContact CE1-CB 4.39Å; F6-C22 WeakPolarHBondContact CE1-SG 3.42Å; F6-E31 HydrophobicContact CE2-CG 3.8Å; F6-E31 WeakPolarHBondContact CE2-OE1 3.32Å; F6-E31 HydrophobicContact CZ-CG 3.62Å; F6-E31 WeakPolarHBondContact CZ-O 3.44Å; F6-H32 AromaticContact CD2-NE2 3.76Å; F6-H32 AromaticContact CE2-CD2 3.66Å; F6-H32 AromaticContact CE2-NE2 3.29Å; F6-H32 VanDerWaalsContact CE2-NE2 3.29Å; F6-H32 WeakPolarHBondContact CE2-NE2 3.47Å; F6-H32 AromaticContact CZ-CD2 3.88Å; F6-H32 AromaticContact CZ-NE2 3.96Å
7T93Very high90.5Very high99 Ų9972.3 Ų72.361%0.60745%0.449SS*.  trans-112.1120.2-167.6-56.70000111.3H32T7-H32 WeakPolarHBondContact O-CB 3.16Å; T7-H32 PolarHBondContact O-CD2 3.43Å
8C94.8Very high90.4Very high23 Ų2378.9 Ų78.916%0.15547%0.474CS..  trans-94.8117.9169.6-52.10000109G11 C13 C22C8-G11 WeakPolarHBondContact CB-O 3.46Å; C8-C13 VanDerWaalsContact SG-CA 3.56Å; C8-C22 WeakPolarHBondContact CA-SG 3.48Å; C8-C22 HydrophobicContact CB-CB 3.87Å; C8-C22 WeakPolarHBondContact CB-SG 3.45Å; C8-C22 WeakPolarHBondContact SG-CA 3.09Å; C8-C22 WeakPolarHBondContact SG-CB 3.27Å; C8-C22 CovalentContact SG-SG 2.02Å; C8-C22 PolarHBondContact SG-SG 2.69Å
9V92Very high90.4Very high90 Ų9082.6 Ų82.655%0.54548%0.483SS..SBendtrans-73.4-55.3-178-176.10000110.4H32 D34V9-H32 PolarHBondContact N-O 3.39Å; V9-D34 HydrophobicContact CB-CB 4.47Å; V9-D34 HydrophobicContact CG2-CB 4.13Å
10N91.4Very high90.6Very high48 Ų4879.5 Ų79.526%0.25747%0.467SS..SBendtrans-118.851.5178.3-60-74.3000111.4S25 Y28 C33N10-S25 WeakPolarHBondContact O-CB 3.42Å; N10-S25 PolarHBondContact O-N 3.2Å; N10-S25 PolarHBondContact O-OG 3.38Å; N10-Y28 HydrophobicContact CB-CD1 3.77Å; N10-Y28 HydrophobicContact CB-CD2 3.61Å; N10-Y28 HydrophobicContact CB-CE1 4.07Å; N10-Y28 HydrophobicContact CB-CE2 3.91Å; N10-Y28 HydrophobicContact CB-CG 3.51Å; N10-Y28 WeakPolarHBondContact ND2-CD1 3.49Å; N10-Y28 WeakPolarHBondContact ND2-CE1 3.25Å; N10-C33 HydrophobicContact CB-CB 4.42Å; N10-C33 WeakPolarHBondContact CB-O 3.28Å; N10-C33 PolarHBondContact N-O 3.41Å; N10-C33 PolarHBondContact ND2-O 3.45Å; N10-C33 VanDerWaalsContact ND2-O 3.15Å
11G93.5Very high90.8Very high24 Ų2479.7 Ų79.725%0.24746%0.463CS..EExtended strand (participates in β ladder)trans-166-178.1-176.400000113.9C8 I23C8-G11 WeakPolarHBondContact CB-O 3.46Å; G11-I23 CarbonylContact C-O 3.54Å; G11-I23 WeakPolarHBondContact CA-O 3.09Å
12S95.4Very high91.8Very high81 Ų8172 Ų7257%0.56643%0.428SS*.EExtended strand (participates in β ladder)trans-110131176.5-65.30000110.8I23S12-I23 PolarHBondContact N-O 3.43Å; S12-I23 PolarHBondContact O-N 2.93Å
13C95.7Very high92.3Very high44 Ų4474.5 Ų74.530%0.29744%0.438SS..EExtended strand (participates in β ladder)trans-77.5130174.6-172.30000110.9C3 C8 E21C3-C13 WeakPolarHBondContact CA-SG 3.43Å; C3-C13 HydrophobicContact CB-CB 3.85Å; C3-C13 WeakPolarHBondContact CB-SG 3.2Å; C3-C13 WeakPolarHBondContact SG-CB 3.48Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 3.37Å; C8-C13 VanDerWaalsContact SG-CA 3.56Å; C13-E21 WeakPolarHBondContact CA-O 3.42Å
14I94.7Very high92.5Very high65 Ų6574.9 Ų74.933%0.33344%0.44SS..EExtended strand (participates in β ladder)trans-121.4158.4171.859.7160.2000110.3A20 E21 I23I14-A20 WeakPolarHBondContact O-CA 3.29Å; I14-E21 HydrophobicContact CG1-CB 4.21Å; I14-E21 WeakPolarHBondContact CG1-O 3.35Å; I14-E21 PolarHBondContact N-O 3.21Å; I14-E21 PolarHBondContact O-N 3.32Å; I14-I23 HydrophobicContact CD1-CD1 3.97Å; I14-I23 HydrophobicContact CD1-CG1 3.89Å; I14-I23 HydrophobicContact CG1-CD1 4.35Å; I14-I23 HydrophobicContact CG1-CG1 4.08Å; I14-I23 HydrophobicContact CG2-CD1 3.7Å; I14-I23 HydrophobicContact CG2-CG1 4.12Å
15V93.1Very high92.7Very high77 Ų7774 Ų7447%0.46743%0.434SS..EExtended strand (participates in β ladder)trans-106.4112.2175.7-175.90000109.1P2 G17 K19P2-V15 HydrophobicContact CG-CB 4.24Å; P2-V15 HydrophobicContact CG-CG1 3.61Å; P2-V15 HydrophobicContact CG-CG2 3.67Å; V15-G17 WeakPolarHBondContact CG1-O 3.37Å; V15-K19 CarbonylContact C-O 3.54Å; V15-K19 WeakPolarHBondContact CA-O 3.48Å
16T89.7Confident92.9Very high66 Ų6673.4 Ų73.441%0.40543%0.426SS..EExtended strand (participates in β ladder)trans-104.699176-52.30000108.5E18 K19 E21T16-E18 PolarHBondContact O-N 3.47Å; T16-K19 PolarHBondContact N-O 2.85Å; T16-K19 PolarHBondContact O-N 3.09Å; T16-K19 VanDerWaalsContact O-N 3.1Å; T16-E21 WeakPolarHBondContact CB-OE2 3.48Å; T16-E21 PolarHBondContact OG1-OE2 2.99Å
17G88.6Confident92.9Very high72 Ų7272 Ų7274%0.74242%0.421SS*.THydrogen-bonded Turntrans65.3-113.4-173.600000111.6V15V15-G17 WeakPolarHBondContact CG1-O 3.37Å
18E88.2Confident92.8Very high192 Ų19268.8 Ų68.890%0.89740%0.398SS*.THydrogen-bonded Turntrans-100.50.5177-64-175.2170.500113.3T16T16-E18 PolarHBondContact O-N 3.47Å
19K90.4Very high92.7Very high149 Ų14969.8 Ų69.865%0.64841%0.405SS*.EExtended strand (participates in β ladder)trans-106.9149.5-176.8-62.8-175.9179.6-176.20111.6V15 T16V15-K19 CarbonylContact C-O 3.54Å; V15-K19 WeakPolarHBondContact CA-O 3.48Å; T16-K19 PolarHBondContact N-O 2.85Å; T16-K19 PolarHBondContact O-N 3.09Å; T16-K19 VanDerWaalsContact O-N 3.1Å
20A93.7Very high92.8Very high19 Ų1967.4 Ų67.416%0.15740%0.399CS..EExtended strand (participates in β ladder)trans-93.2139.3165.100000109.1P2 F6 I14P2-A20 HydrophobicContact CB-CB 3.85Å; P2-A20 HydrophobicContact CG-CB 4.33Å; F6-A20 HydrophobicContact CB-CB 3.76Å; F6-A20 HydrophobicContact CD1-CB 3.7Å; F6-A20 HydrophobicContact CE1-CB 4.46Å; F6-A20 HydrophobicContact CG-CB 3.83Å; I14-A20 WeakPolarHBondContact O-CA 3.29Å
21E94.3Very high92.9Very high84 Ų8471.7 Ų71.739%0.39342%0.418SS..EExtended strand (participates in β ladder)trans-138.5148.5179.5-69174.6176.800109C13 I14 T16C13-E21 WeakPolarHBondContact CA-O 3.42Å; I14-E21 HydrophobicContact CG1-CB 4.21Å; I14-E21 WeakPolarHBondContact CG1-O 3.35Å; I14-E21 PolarHBondContact N-O 3.21Å; I14-E21 PolarHBondContact O-N 3.32Å; T16-E21 WeakPolarHBondContact CB-OE2 3.48Å; T16-E21 PolarHBondContact OG1-OE2 2.99Å
22C96.9Very high92.9Very high25 Ų2573.5 Ų73.517%0.16942%0.42CS..EExtended strand (participates in β ladder)trans-96.1132.3175.8-65.40000111.2F6 C8 E31 C33F6-C22 HydrophobicContact CE1-CB 4.39Å; F6-C22 WeakPolarHBondContact CE1-SG 3.42Å; C8-C22 WeakPolarHBondContact CA-SG 3.48Å; C8-C22 HydrophobicContact CB-CB 3.87Å; C8-C22 WeakPolarHBondContact CB-SG 3.45Å; C8-C22 WeakPolarHBondContact SG-CA 3.09Å; C8-C22 WeakPolarHBondContact SG-CB 3.27Å; C8-C22 CovalentContact SG-SG 2.02Å; C8-C22 PolarHBondContact SG-SG 2.69Å; C22-E31 WeakPolarHBondContact CB-O 3.31Å; C22-E31 PolarHBondContact SG-O 3.27Å; C22-C33 WeakPolarHBondContact CB-SG 3.35Å
23I96Very high92.9Very high98 Ų9869.7 Ų69.750%0.50339%0.393SS..EExtended strand (participates in β ladder)trans-89.4109.7159.6-58.3178.1000107.1G11 S12 I14G11-I23 CarbonylContact C-O 3.54Å; G11-I23 WeakPolarHBondContact CA-O 3.09Å; S12-I23 PolarHBondContact N-O 3.43Å; S12-I23 PolarHBondContact O-N 2.93Å; I14-I23 HydrophobicContact CD1-CD1 3.97Å; I14-I23 HydrophobicContact CD1-CG1 3.89Å; I14-I23 HydrophobicContact CG1-CD1 4.35Å; I14-I23 HydrophobicContact CG1-CG1 4.08Å; I14-I23 HydrophobicContact CG2-CD1 3.7Å; I14-I23 HydrophobicContact CG2-CG1 4.12Å
24C94.4Very high92.7Very high42 Ų4271.6 Ų71.628%0.28440%0.4SS..EExtended strand (participates in β ladder)trans-74143.4-179.2-57.30000112.5Y28 C33C24-Y28 VanDerWaalsContact CB-O 3.27Å; C24-Y28 WeakPolarHBondContact CB-O 3.31Å; C24-C33 WeakPolarHBondContact CA-SG 3.22Å; C24-C33 HydrophobicContact CB-CB 3.7Å; C24-C33 WeakPolarHBondContact CB-SG 3.42Å; C24-C33 PolarHBondContact N-SG 3.4Å; C24-C33 WeakPolarHBondContact SG-CA 3.38Å; C24-C33 WeakPolarHBondContact SG-CB 3.35Å; C24-C33 CovalentContact SG-SG 2.04Å; C24-C33 PolarHBondContact SG-SG 3.34Å
25S92.1Very high92.4Very high63 Ų6372 Ų7244%0.44141%0.405SS..PPolyproline II helixtrans-65.7160.4167.8-52.90000109.7N10 G27 Y28N10-S25 WeakPolarHBondContact O-CB 3.42Å; N10-S25 PolarHBondContact O-N 3.2Å; N10-S25 PolarHBondContact O-OG 3.38Å; S25-G27 PolarHBondContact O-N 3.35Å; S25-Y28 PolarHBondContact O-N 3.48Å; S25-Y28 VanDerWaalsContact O-N 3.11Å
26E92.4Very high92.3Very high147 Ų14769.4 Ų69.469%0.68739%0.389SS*.THydrogen-bonded Turntrans-52.1134.3178-157.2-175.3166.700110.6Y28 L40E26-Y28 VanDerWaalsContact C-N 3.29Å; E26-Y28 WeakPolarHBondContact O-CD2 3.39Å; E26-Y28 PolarHBondContact O-N 3.03Å; E26-L40 HydrophobicContact CB-CD1 3.73Å; E26-L40 HydrophobicContact CG-CD1 3.67Å; E26-L40 WeakPolarHBondContact O-CD1 3.26Å
27G90.2Very high92.3Very high4 Ų469.1 Ų69.14%0.04139%0.387CS..THydrogen-bonded Turntrans71.510-179.400000117.9S25 L36 T37S25-G27 PolarHBondContact O-N 3.35Å; G27-L36 WeakPolarHBondContact O-CD1 3.4Å; G27-T37 PolarHBondContact O-N 3.44Å; G27-T37 PolarHBondContact O-OG1 2.92Å; G27-T37 VanDerWaalsContact O-OG1 3.12Å
28Y91.9Very high92.4Very high32 Ų3269.3 Ų69.313%0.12537%0.369CS..EExtended strand (participates in β ladder)trans-115.4153.2167.6-65-87.4000111.2N10 C24 S25 E26 V35 L36 T69N10-Y28 HydrophobicContact CB-CD1 3.77Å; N10-Y28 HydrophobicContact CB-CD2 3.61Å; N10-Y28 HydrophobicContact CB-CE1 4.07Å; N10-Y28 HydrophobicContact CB-CE2 3.91Å; N10-Y28 HydrophobicContact CB-CG 3.51Å; N10-Y28 WeakPolarHBondContact ND2-CD1 3.49Å; N10-Y28 WeakPolarHBondContact ND2-CE1 3.25Å; C24-Y28 VanDerWaalsContact CB-O 3.27Å; C24-Y28 WeakPolarHBondContact CB-O 3.31Å; S25-Y28 PolarHBondContact O-N 3.48Å; S25-Y28 VanDerWaalsContact O-N 3.11Å; E26-Y28 VanDerWaalsContact C-N 3.29Å; E26-Y28 WeakPolarHBondContact O-CD2 3.39Å; E26-Y28 PolarHBondContact O-N 3.03Å; Y28-V35 CarbonylContact C-O 3.43Å; Y28-V35 WeakPolarHBondContact CA-O 3.49Å; Y28-L36 HydrophobicContact CD1-CD1 4.24Å; Y28-L36 HydrophobicContact CE1-CB 4.41Å; Y28-L36 HydrophobicContact CE1-CD1 3.78Å; Y28-L36 HydrophobicContact CE2-CD1 4.48Å; Y28-T69 HydrophobicContact CE1-CG2 4.35Å
29S93Very high92.5Very high43 Ų4362.4 Ų62.430%0.30134%0.342SS..EExtended strand (participates in β ladder)trans-150.4-177.317876.80000111.4C33 D34 V35 T37S29-C33 CarbonylContact O-C 3.48Å; S29-C33 VanDerWaalsContact O-CA 3.24Å; S29-C33 WeakPolarHBondContact O-CA 3.49Å; S29-D34 PolarHBondContact O-N 3.45Å; S29-V35 PolarHBondContact N-O 2.9Å; S29-V35 WeakPolarHBondContact O-CB 3.05Å; S29-V35 PolarHBondContact O-N 3.28Å; S29-V35 VanDerWaalsContact O-N 3.07Å; S29-T37 WeakPolarHBondContact OG-CG2 3.4Å
30G92.8Very high92.3Very high41 Ų4158 Ų5842%0.42333%0.325SS..SBendtrans93.9168.4-175.100000112H32 C33G30-H32 PolarHBondContact O-N 3.21Å; G30-C33 PolarHBondContact O-N 3.07Å
31E93.9Very high91.7Very high138 Ų13864.5 Ų64.565%0.64536%0.357SS*.THydrogen-bonded Turntrans-58.2-34.5-178.4179.8176-174.200112.2F6 C22F6-E31 HydrophobicContact CE2-CG 3.8Å; F6-E31 WeakPolarHBondContact CE2-OE1 3.32Å; F6-E31 HydrophobicContact CZ-CG 3.62Å; F6-E31 WeakPolarHBondContact CZ-O 3.44Å; C22-E31 WeakPolarHBondContact CB-O 3.31Å; C22-E31 PolarHBondContact SG-O 3.27Å
32H94.6Very high91Very high62 Ų6266.1 Ų66.129%0.28737%0.368SS..THydrogen-bonded Turntrans-110.68.4-177.9-56.7102.8000113.3F6 T7 V9 G30 D34F6-H32 AromaticContact CD2-NE2 3.76Å; F6-H32 AromaticContact CE2-CD2 3.66Å; F6-H32 AromaticContact CE2-NE2 3.29Å; F6-H32 VanDerWaalsContact CE2-NE2 3.29Å; F6-H32 WeakPolarHBondContact CE2-NE2 3.47Å; F6-H32 AromaticContact CZ-CD2 3.88Å; F6-H32 AromaticContact CZ-NE2 3.96Å; T7-H32 WeakPolarHBondContact O-CB 3.16Å; T7-H32 PolarHBondContact O-CD2 3.43Å; V9-H32 PolarHBondContact N-O 3.39Å; G30-H32 PolarHBondContact O-N 3.21Å; H32-D34 VanDerWaalsContact C-N 3.26Å; H32-D34 PolarHBondContact O-N 3.48Å
33C94.5Very high90.6Very high0 Ų065 Ų650%036%0.361CS..SBendtrans55.938.4-177.1-49.40000113.7N10 C22 C24 S29 G30N10-C33 HydrophobicContact CB-CB 4.42Å; N10-C33 WeakPolarHBondContact CB-O 3.28Å; N10-C33 PolarHBondContact N-O 3.41Å; N10-C33 PolarHBondContact ND2-O 3.45Å; N10-C33 VanDerWaalsContact ND2-O 3.15Å; C22-C33 WeakPolarHBondContact CB-SG 3.35Å; C24-C33 WeakPolarHBondContact CA-SG 3.22Å; C24-C33 HydrophobicContact CB-CB 3.7Å; C24-C33 WeakPolarHBondContact CB-SG 3.42Å; C24-C33 PolarHBondContact N-SG 3.4Å; C24-C33 WeakPolarHBondContact SG-CA 3.38Å; C24-C33 WeakPolarHBondContact SG-CB 3.35Å; C24-C33 CovalentContact SG-SG 2.04Å; C24-C33 PolarHBondContact SG-SG 3.34Å; S29-C33 CarbonylContact O-C 3.48Å; S29-C33 VanDerWaalsContact O-CA 3.24Å; S29-C33 WeakPolarHBondContact O-CA 3.49Å; G30-C33 PolarHBondContact O-N 3.07Å
34D90.6Very high90.5Very high84 Ų8461 Ų6145%0.44934%0.342SS..  trans-102.5-9.5-178.659.7-31.6000112.9V9 S29 H32V9-D34 HydrophobicContact CB-CB 4.47Å; V9-D34 HydrophobicContact CG2-CB 4.13Å; S29-D34 PolarHBondContact O-N 3.45Å; H32-D34 VanDerWaalsContact C-N 3.26Å; H32-D34 PolarHBondContact O-N 3.48Å
35V90.3Very high90.4Very high74 Ų7462.4 Ų62.445%0.44835%0.346SS..EExtended strand (participates in β ladder)trans-94.4112.9178-176.30000109.9Y28 S29 T37Y28-V35 CarbonylContact C-O 3.43Å; Y28-V35 WeakPolarHBondContact CA-O 3.49Å; S29-V35 PolarHBondContact N-O 2.9Å; S29-V35 WeakPolarHBondContact O-CB 3.05Å; S29-V35 PolarHBondContact O-N 3.28Å; S29-V35 VanDerWaalsContact O-N 3.07Å; V35-T37 HydrophobicContact CG1-CG2 4.41Å
36L89.9Confident90.5Very high23 Ų2363.3 Ų63.312%0.1235%0.346CS..EExtended strand (participates in β ladder)trans-72.7127172.7-175.867.8000110.4G27 Y28 M38 S43 V57G27-L36 WeakPolarHBondContact O-CD1 3.4Å; Y28-L36 HydrophobicContact CD1-CD1 4.24Å; Y28-L36 HydrophobicContact CE1-CB 4.41Å; Y28-L36 HydrophobicContact CE1-CD1 3.78Å; Y28-L36 HydrophobicContact CE2-CD1 4.48Å; L36-M38 WeakPolarHBondContact CD1-O 3.45Å; L36-S43 VanDerWaalsContact CD1-CB 3.49Å; L36-S43 WeakPolarHBondContact CD1-OG 3.3Å; L36-V57 HydrophobicContact CD2-CG1 3.69Å; L36-V57 HydrophobicContact CG-CG1 3.89Å
37T90.2Very high90.5Very high59 Ų5959.4 Ų59.436%0.36235%0.345SS..  trans-118-15.9-175.355.30000114.9G27 S29 V35 V57G27-T37 PolarHBondContact O-N 3.44Å; G27-T37 PolarHBondContact O-OG1 2.92Å; G27-T37 VanDerWaalsContact O-OG1 3.12Å; S29-T37 WeakPolarHBondContact OG-CG2 3.4Å; V35-T37 HydrophobicContact CG1-CG2 4.41Å; T37-V57 VanDerWaalsContact O-CG2 3.29Å; T37-V57 WeakPolarHBondContact O-CG2 3.47Å
38M90.2Very high90.7Very high76 Ų7659.9 Ų59.937%0.37435%0.35SS..SBendtrans-150.5153.8175.455.3176.189.800110.2L36 L40L36-M38 WeakPolarHBondContact CD1-O 3.45Å; M38-L40 HydrophobicContact CG-CD1 3.95Å; M38-L40 HydrophobicContact CG-CG 3.92Å; M38-L40 PolarHBondContact O-N 3.22Å; M38-L40 HydrophobicContact SD-CD1 3.8Å; M38-L40 HydrophobicContact SD-CD2 4.07Å; M38-L40 HydrophobicContact SD-CG 3.93Å
39C90.5Very high90.8Very high48 Ų4862.4 Ų62.432%0.32437%0.369SS..  trans-76.1105.4172.5-68.50000110.5C50C39-C50 WeakPolarHBondContact CA-SG 3.48Å; C39-C50 HydrophobicContact CB-CB 3.71Å; C39-C50 WeakPolarHBondContact CB-SG 3.49Å; C39-C50 VanDerWaalsContact SG-C 3.53Å; C39-C50 WeakPolarHBondContact SG-CB 3.33Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 3.28Å
40L86.2Confident90.9Very high56 Ų5662.1 Ų62.129%0.29337%0.366SS..  trans-113.4168.3170.1-68.4167.2000110.8E26 M38 N42 S43E26-L40 HydrophobicContact CB-CD1 3.73Å; E26-L40 HydrophobicContact CG-CD1 3.67Å; E26-L40 WeakPolarHBondContact O-CD1 3.26Å; M38-L40 HydrophobicContact CG-CD1 3.95Å; M38-L40 HydrophobicContact CG-CG 3.92Å; M38-L40 PolarHBondContact O-N 3.22Å; M38-L40 HydrophobicContact SD-CD1 3.8Å; M38-L40 HydrophobicContact SD-CD2 4.07Å; M38-L40 HydrophobicContact SD-CG 3.93Å; L40-N42 PolarHBondContact O-N 3.42Å; L40-S43 PolarHBondContact N-OG 3.45Å; L40-S43 VanDerWaalsContact N-OG 3.16Å; L40-S43 WeakPolarHBondContact O-CB 3.28Å; L40-S43 PolarHBondContact O-N 2.99Å; L40-S43 VanDerWaalsContact O-N 3.1Å; L40-S43 PolarHBondContact O-OG 3Å
41N80.9Confident90.8Very high156 Ų15662.6 Ų62.683%0.83436%0.361SS*.THydrogen-bonded Turntrans-59.9124.1178.6-154.546.5000109.3S43N41-S43 VanDerWaalsContact C-N 3.34Å; N41-S43 PolarHBondContact O-N 3.34Å
42N80.7Confident90.6Very high117 Ų11762.2 Ų62.263%0.62636%0.359SS*.THydrogen-bonded Turntrans68.317.7-177.5-56.945.2000116.1L40 L45L40-N42 PolarHBondContact O-N 3.42Å; N42-L45 WeakPolarHBondContact O-CD2 3.43Å
43S87.2Confident90Very high3 Ų367.1 Ų67.12%0.02138%0.38CS..SBendtrans-63.5-41.7171.7-700000113L36 L40 N41 T69L36-S43 VanDerWaalsContact CD1-CB 3.49Å; L36-S43 WeakPolarHBondContact CD1-OG 3.3Å; L40-S43 PolarHBondContact N-OG 3.45Å; L40-S43 VanDerWaalsContact N-OG 3.16Å; L40-S43 WeakPolarHBondContact O-CB 3.28Å; L40-S43 PolarHBondContact O-N 2.99Å; L40-S43 VanDerWaalsContact O-N 3.1Å; L40-S43 PolarHBondContact O-OG 3Å; N41-S43 VanDerWaalsContact C-N 3.34Å; N41-S43 PolarHBondContact O-N 3.34Å; S43-T69 VanDerWaalsContact O-CB 3.32Å; S43-T69 WeakPolarHBondContact O-CB 3.03Å; S43-T69 WeakPolarHBondContact O-CG2 3.39Å
44C93.3Very high89.6Confident13 Ų1374.9 Ų74.99%0.08842%0.418CS..SBendtrans-95115.9170.8-52.40000108.6G48 C50 C59C44-G48 WeakPolarHBondContact CB-O 3.18Å; C44-C50 WeakPolarHBondContact SG-CA 3.39Å; C44-C50 WeakPolarHBondContact SG-CB 3.28Å; C44-C59 WeakPolarHBondContact CA-SG 3.46Å; C44-C59 HydrophobicContact CB-CB 3.75Å; C44-C59 WeakPolarHBondContact CB-SG 3.48Å; C44-C59 WeakPolarHBondContact SG-CA 3.28Å; C44-C59 WeakPolarHBondContact SG-CB 3.18Å; C44-C59 CovalentContact SG-SG 2.03Å; C44-C59 PolarHBondContact SG-SG 3.45Å
45L92.8Very high89.2Confident72 Ų7273.9 Ų73.938%0.37743%0.428SS..  trans-77.4170.1-178.3-57-178.3000111.4N42 G47 G48 T69 C70 Q71N42-L45 WeakPolarHBondContact O-CD2 3.43Å; L45-G47 PolarHBondContact O-N 3.06Å; L45-G48 PolarHBondContact O-N 3.35Å; L45-T69 VanDerWaalsContact CB-O 3.32Å; L45-T69 WeakPolarHBondContact CB-O 3.19Å; L45-T69 PolarHBondContact N-O 3.12Å; L45-C70 WeakPolarHBondContact O-CB 3Å; L45-Q71 HydrophobicContact CD1-CB 3.74Å
46N94.3Very high88.9Confident81 Ų8175 Ų7543%0.43344%0.435SS..THydrogen-bonded Turntrans55.726.4172.7-60.4-49.9000115.3P62 F65 C70N46-P62 WeakPolarHBondContact O-CG 3.31Å; N46-F65 HydrophobicContact CB-CD1 3.55Å; N46-F65 HydrophobicContact CB-CD2 3.98Å; N46-F65 HydrophobicContact CB-CE1 3.54Å; N46-F65 HydrophobicContact CB-CE2 3.98Å; N46-F65 HydrophobicContact CB-CG 3.76Å; N46-F65 HydrophobicContact CB-CZ 3.76Å; N46-F65 VanDerWaalsContact CG-CD1 3.45Å; N46-F65 WeakPolarHBondContact ND2-CD1 3.2Å; N46-F65 WeakPolarHBondContact ND2-CE1 2.99Å; N46-C70 PolarHBondContact ND2-O 3.3Å
47G92.7Very high88.9Confident65 Ų6575 Ų7567%0.6744%0.435SS*.THydrogen-bonded Turntrans82.517.7-17800000114.1L45L45-G47 PolarHBondContact O-N 3.06Å
48G95.1Very high89Confident15 Ų1578.2 Ų78.216%0.15545%0.446CS..PPolyproline II helixtrans-58.6144171.200000112.6C44 L45 I60C44-G48 WeakPolarHBondContact CB-O 3.18Å; L45-G48 PolarHBondContact O-N 3.35Å; G48-I60 CarbonylContact C-O 3.59Å; G48-I60 VanDerWaalsContact CA-O 3.28Å; G48-I60 WeakPolarHBondContact CA-O 3.48Å
49T94Very high89.2Confident85 Ų8575.2 Ų75.252%0.52143%0.433SS..EExtended strand (participates in β ladder)trans-94.9118.6175.8-59.30000109.1T51 I60T49-T51 HydrophobicContact CG2-CG2 4.38Å; T49-I60 PolarHBondContact N-O 2.93Å; T49-I60 PolarHBondContact O-N 3.3Å
50C93.6Very high89.4Confident36 Ų3677.4 Ų77.424%0.24344%0.44CS..EExtended strand (participates in β ladder)trans-81.3132.7175.8-164.20000110.7C39 C44C39-C50 WeakPolarHBondContact CA-SG 3.48Å; C39-C50 HydrophobicContact CB-CB 3.71Å; C39-C50 WeakPolarHBondContact CB-SG 3.49Å; C39-C50 VanDerWaalsContact SG-C 3.53Å; C39-C50 WeakPolarHBondContact SG-CB 3.33Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 3.28Å; C44-C50 WeakPolarHBondContact SG-CA 3.39Å; C44-C50 WeakPolarHBondContact SG-CB 3.28Å
51T92.1Very high89.9Confident51 Ų5176.7 Ų76.731%0.31344%0.439SS..EExtended strand (participates in β ladder)trans-129.2137.217563.20000110.3T49 V57 E58 I60T49-T51 HydrophobicContact CG2-CG2 4.38Å; T51-V57 WeakPolarHBondContact O-CA 3.47Å; T51-E58 PolarHBondContact N-O 3.3Å; T51-E58 PolarHBondContact O-N 3.27Å; T51-E58 PolarHBondContact OG1-O 3.41Å; T51-I60 HydrophobicContact CG2-CD1 3.78Å; T51-I60 HydrophobicContact CG2-CG1 4.39Å
52E88.5Confident90.5Very high130 Ų13071.4 Ų71.461%0.60741%0.414SS*.EExtended strand (participates in β ladder)trans-113.9121.3173.8-176.6-177.6170.800108.4V56 V57E52-V56 CarbonylContact C-O 3.5Å; E52-V56 WeakPolarHBondContact CA-O 3.43Å; E52-V57 HydrophobicContact CB-CG2 4.3Å; E52-V57 HydrophobicContact CG-CG2 4.04Å
53K83.5Confident91.1Very high165 Ų16573.9 Ų73.972%0.71743%0.427SS*.EExtended strand (participates in β ladder)trans-136118.7178.1-174177.5179.5-174.20110G55 V56K53-G55 PolarHBondContact O-N 3.29Å; K53-V56 PolarHBondContact N-O 3.43Å; K53-V56 WeakPolarHBondContact O-CB 3.41Å; K53-V56 PolarHBondContact O-N 3.47Å
54M86.2Confident91.3Very high164 Ų16475.1 Ų75.181%0.80844%0.44SS*.THydrogen-bonded Turntrans55.137.2176.4-55.4-66.1-69.200113.1V56M54-V56 PolarHBondContact O-N 3.06Å
55G81.2Confident91.5Very high63 Ų6377.4 Ų77.465%0.64945%0.449SS*.THydrogen-bonded Turntrans77.51.9-177.400000115K53K53-G55 PolarHBondContact O-N 3.29Å
56V84.4Confident91.6Very high97 Ų9777.4 Ų77.459%0.58845%0.452SS*.EExtended strand (participates in β ladder)trans-97.1129169.8-177.50000108.7E52 K53 M54E52-V56 CarbonylContact C-O 3.5Å; E52-V56 WeakPolarHBondContact CA-O 3.43Å; K53-V56 PolarHBondContact N-O 3.43Å; K53-V56 WeakPolarHBondContact O-CB 3.41Å; K53-V56 PolarHBondContact O-N 3.47Å; M54-V56 PolarHBondContact O-N 3.06Å
57V90.1Very high91.4Very high22 Ų2274.6 Ų74.613%0.13344%0.442CS..EExtended strand (participates in β ladder)trans-105.5130.3176.2-179.50000109.3L36 T37 T51 E52L36-V57 HydrophobicContact CD2-CG1 3.69Å; L36-V57 HydrophobicContact CG-CG1 3.89Å; T37-V57 VanDerWaalsContact O-CG2 3.29Å; T37-V57 WeakPolarHBondContact O-CG2 3.47Å; T51-V57 WeakPolarHBondContact O-CA 3.47Å; E52-V57 HydrophobicContact CB-CG2 4.3Å; E52-V57 HydrophobicContact CG-CG2 4.04Å
58E91.6Very high91.3Very high128 Ų12875.8 Ų75.860%0.59844%0.438SS*.EExtended strand (participates in β ladder)trans-137.3136.9-177.4-173175.2-164.900110.5T51T51-E58 PolarHBondContact N-O 3.3Å; T51-E58 PolarHBondContact O-N 3.27Å; T51-E58 PolarHBondContact OG1-O 3.41Å
59C94.7Very high91.1Very high13 Ų1375.8 Ų75.89%0.08844%0.435CS..EExtended strand (participates in β ladder)trans-94.1121.5171.4-70.30000110.7C44 P68C44-C59 WeakPolarHBondContact CA-SG 3.46Å; C44-C59 HydrophobicContact CB-CB 3.75Å; C44-C59 WeakPolarHBondContact CB-SG 3.48Å; C44-C59 WeakPolarHBondContact SG-CA 3.28Å; C44-C59 WeakPolarHBondContact SG-CB 3.18Å; C44-C59 CovalentContact SG-SG 2.03Å; C44-C59 PolarHBondContact SG-SG 3.45Å; C59-P68 VanDerWaalsContact CB-O 3.31Å; C59-P68 WeakPolarHBondContact CB-O 3.33Å; C59-P68 PolarHBondContact SG-O 3.48Å; C59-P68 VanDerWaalsContact SG-O 3.35Å
60I95.4Very high91.2Very high94 Ų9471.8 Ų71.848%0.48241%0.41SS..EExtended strand (participates in β ladder)trans-87.1111.2170-56.2174.2000108.1G48 T49 T51G48-I60 CarbonylContact C-O 3.59Å; G48-I60 VanDerWaalsContact CA-O 3.28Å; G48-I60 WeakPolarHBondContact CA-O 3.48Å; T49-I60 PolarHBondContact N-O 2.93Å; T49-I60 PolarHBondContact O-N 3.3Å; T51-I60 HydrophobicContact CG2-CD1 3.78Å; T51-I60 HydrophobicContact CG2-CG1 4.39Å
61C95.7Very high91.1Very high40 Ų4073.3 Ų73.327%0.2741%0.414SS..PPolyproline II helixtrans-83.6138.2-175.6-550000112.8F65 C70C61-F65 HydrophobicContact CB-CB 4.38Å; C61-F65 WeakPolarHBondContact CB-O 3.24Å; C61-C70 WeakPolarHBondContact CA-SG 3.36Å; C61-C70 HydrophobicContact CB-CB 3.71Å; C61-C70 WeakPolarHBondContact CB-SG 3.47Å; C61-C70 WeakPolarHBondContact SG-CA 3Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.03Å; C61-C70 PolarHBondContact SG-SG 3.34Å
62P94.6Very high91.2Very high46 Ų4674.8 Ų74.830%0.29942%0.42SS..PPolyproline II helixtrans-67.6161.2170.326-27.4000110.6N46 G64 F65N46-P62 WeakPolarHBondContact O-CG 3.31Å; P62-G64 PolarHBondContact O-N 3.21Å; P62-F65 HydrophobicContact CG-CD2 3.92Å; P62-F65 PolarHBondContact O-N 2.89Å; P62-F65 VanDerWaalsContact O-N 3.11Å
63N92.2Very high91.4Very high169 Ų16974.7 Ų74.790%0.90442%0.422SS*.THydrogen-bonded Turntrans-53.1133.8178.1-76.9-36.6000111.3
64G92.7Very high91.7Very high29 Ų2969.1 Ų69.130%0.29940%0.402SS..THydrogen-bonded Turntrans90.6-0.5-177.900000114.6P62 I73 V74P62-G64 PolarHBondContact O-N 3.21Å; G64-I73 CarbonylContact O-C 3.58Å; G64-I73 WeakPolarHBondContact O-CA 3Å; G64-V74 PolarHBondContact O-N 2.9Å
65F95.5Very high91.4Very high60 Ų6065.6 Ų65.626%0.26339%0.393SS..EExtended strand (participates in β ladder)trans-127.1154.1176.7-61.1-86.2000112.7N46 C61 P62 C70 D72 I73N46-F65 HydrophobicContact CB-CD1 3.55Å; N46-F65 HydrophobicContact CB-CD2 3.98Å; N46-F65 HydrophobicContact CB-CE1 3.54Å; N46-F65 HydrophobicContact CB-CE2 3.98Å; N46-F65 HydrophobicContact CB-CG 3.76Å; N46-F65 HydrophobicContact CB-CZ 3.76Å; N46-F65 VanDerWaalsContact CG-CD1 3.45Å; N46-F65 WeakPolarHBondContact ND2-CD1 3.2Å; N46-F65 WeakPolarHBondContact ND2-CE1 2.99Å; C61-F65 HydrophobicContact CB-CB 4.38Å; C61-F65 WeakPolarHBondContact CB-O 3.24Å; P62-F65 HydrophobicContact CG-CD2 3.92Å; P62-F65 PolarHBondContact O-N 2.89Å; P62-F65 VanDerWaalsContact O-N 3.11Å; F65-C70 HydrophobicContact CB-CB 4.33Å; F65-D72 CarbonylContact C-O 3.22Å; F65-D72 WeakPolarHBondContact CA-O 3.36Å; F65-I73 HydrophobicContact CD1-CG1 4Å; F65-I73 HydrophobicContact CE1-CD1 4.46Å; F65-I73 HydrophobicContact CE1-CG1 3.71Å
66T94.9Very high90.8Very high72 Ų7265.4 Ų65.444%0.44239%0.386SS..EExtended strand (participates in β ladder)trans-152.8177.3-179.2-1670000111.6C70 Q71 D72 V74T66-C70 CarbonylContact O-C 3.49Å; T66-C70 VanDerWaalsContact O-C 3.22Å; T66-C70 WeakPolarHBondContact O-CA 3.46Å; T66-Q71 PolarHBondContact O-N 2.94Å; T66-D72 HydrophobicContact CG2-CB 3.75Å; T66-D72 PolarHBondContact N-O 3.29Å; T66-D72 PolarHBondContact O-N 3.32Å; T66-V74 HydrophobicContact CG2-CG2 3.82Å
67G91.8Very high89.7Confident22 Ų2267.7 Ų67.723%0.22739%0.39CS..SBendtrans96.6165.1-176.200000112.9T69 C70G67-T69 PolarHBondContact O-N 3.36Å; G67-T69 VanDerWaalsContact O-N 3.1Å; G67-C70 PolarHBondContact O-N 2.9Å
68P89.3Confident88.2Confident91 Ų9174.4 Ų74.459%0.59142%0.424SS*.THydrogen-bonded Turntrans-58.6-26.1-175.423.1-35.8000113.8C59C59-P68 VanDerWaalsContact CB-O 3.31Å; C59-P68 WeakPolarHBondContact CB-O 3.33Å; C59-P68 PolarHBondContact SG-O 3.48Å; C59-P68 VanDerWaalsContact SG-O 3.35Å
69T91.9Very high86.5Confident15 Ų1572.3 Ų72.39%0.09242%0.424CS..THydrogen-bonded Turntrans-119.717.6176.659.10000112.4Y28 S43 L45 G67 Q71Y28-T69 HydrophobicContact CE1-CG2 4.35Å; S43-T69 VanDerWaalsContact O-CB 3.32Å; S43-T69 WeakPolarHBondContact O-CB 3.03Å; S43-T69 WeakPolarHBondContact O-CG2 3.39Å; L45-T69 VanDerWaalsContact CB-O 3.32Å; L45-T69 WeakPolarHBondContact CB-O 3.19Å; L45-T69 PolarHBondContact N-O 3.12Å; G67-T69 PolarHBondContact O-N 3.36Å; G67-T69 VanDerWaalsContact O-N 3.1Å; T69-Q71 VanDerWaalsContact N-OE1 3.09Å; T69-Q71 PolarHBondContact O-N 3.34Å; T69-Q71 PolarHBondContact OG1-OE1 3.46Å
70C94.7Very high84.6Confident0 Ų077.5 Ų77.50%045%0.447CS..SBendtrans58.229.3-177.2-47.90000114.3L45 N46 C61 F65 T66 G67L45-C70 WeakPolarHBondContact O-CB 3Å; N46-C70 PolarHBondContact ND2-O 3.3Å; C61-C70 WeakPolarHBondContact CA-SG 3.36Å; C61-C70 HydrophobicContact CB-CB 3.71Å; C61-C70 WeakPolarHBondContact CB-SG 3.47Å; C61-C70 WeakPolarHBondContact SG-CA 3Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.03Å; C61-C70 PolarHBondContact SG-SG 3.34Å; F65-C70 HydrophobicContact CB-CB 4.33Å; T66-C70 CarbonylContact O-C 3.49Å; T66-C70 VanDerWaalsContact O-C 3.22Å; T66-C70 WeakPolarHBondContact O-CA 3.46Å; G67-C70 PolarHBondContact O-N 2.9Å
71Q92.4Very high82.6Confident68 Ų6880.5 Ų80.532%0.31846%0.464SS..  trans-78.1-25.6-175.173.7-76.9-700113.7L45 T66 T69L45-Q71 HydrophobicContact CD1-CB 3.74Å; T66-Q71 PolarHBondContact O-N 2.94Å; T69-Q71 VanDerWaalsContact N-OE1 3.09Å; T69-Q71 PolarHBondContact O-N 3.34Å; T69-Q71 PolarHBondContact OG1-OE1 3.46Å
72D93.8Very high80.6Confident83 Ų8384 Ų8444%0.44448%0.484SS..EExtended strand (participates in β ladder)trans-94.5141.3-172.5-61.8-49.7000110.8F65 T66F65-D72 CarbonylContact C-O 3.22Å; F65-D72 WeakPolarHBondContact CA-O 3.36Å; T66-D72 HydrophobicContact CG2-CB 3.75Å; T66-D72 PolarHBondContact N-O 3.29Å; T66-D72 PolarHBondContact O-N 3.32Å
73I93.3Very high78.4Confident127 Ų12786.3 Ų86.365%0.65149%0.494SS*.EExtended strand (participates in β ladder)trans-90.4130176.6-61.6170.1000109.6G64 F65 S75G64-I73 CarbonylContact O-C 3.58Å; G64-I73 WeakPolarHBondContact O-CA 3Å; F65-I73 HydrophobicContact CD1-CG1 4Å; F65-I73 HydrophobicContact CE1-CD1 4.46Å; F65-I73 HydrophobicContact CE1-CG1 3.71Å; I73-S75 PolarHBondContact O-N 2.88Å; I73-S75 VanDerWaalsContact O-N 3.09Å
74V89.7Confident76.7Confident49 Ų4983 Ų8330%0.29747%0.473SS..  trans-79.389.5172.1-174.80000108.9G64 T66 A76 Q77G64-V74 PolarHBondContact O-N 2.9Å; T66-V74 HydrophobicContact CG2-CG2 3.82Å; V74-A76 HydrophobicContact CG1-CB 4.42Å; V74-A76 PolarHBondContact O-N 3.5Å; V74-Q77 HydrophobicContact CG1-CG 4.15Å
75S80.2Confident74.7Confident89 Ų8988.9 Ų88.962%0.62249%0.493SS*.G310 helixtrans-70.2-1717957.30000114.2I73 Q77 L78I73-S75 PolarHBondContact O-N 2.88Å; I73-S75 VanDerWaalsContact O-N 3.09Å; S75-Q77 PolarHBondContact O-N 2.94Å; S75-L78 PolarHBondContact O-N 2.92Å
76A69.1Low72.9Confident60 Ų6089.2 Ų89.250%0.49650%0.5SS..G310 helixtrans-67.4-17.7-174.500000114.5V74 S79V74-A76 HydrophobicContact CG1-CB 4.42Å; V74-A76 PolarHBondContact O-N 3.5Å; A76-S79 PolarHBondContact O-OG 2.89Å
77Q60Low71.3Confident144 Ų14491.3 Ų91.367%0.67351%0.508SS*.G310 helixtrans-86.2-4.3-176.8-60-61-60.600113.6V74 S75V74-Q77 HydrophobicContact CG1-CG 4.15Å; S75-Q77 PolarHBondContact O-N 2.94Å
78L58.9Low70.2Confident163 Ų16396.5 Ų96.585%0.85353%0.525SS*.G310 helixtrans-94.4-2.4-178.7-128.183.9000114.8S75S75-L78 PolarHBondContact O-N 2.92Å
79S55.3Low69.4Low84 Ų8496.3 Ų96.359%0.58752%0.522SS*.SBendtrans-100.26.5-17347.10000115.9A76A76-S79 PolarHBondContact O-OG 2.89Å
80Q55.4Low68.6Low122 Ų122100.2 Ų100.257%0.5754%0.541SS*.SBendtrans-130.5-1.2-177.2-74.6-178.1-67.700116.6E84Q80-E84 PolarHBondContact NE2-OE2 2.84Å
81D52.5Low67.9Low158 Ų158102.2 Ų102.285%0.84556%0.562SS**THydrogen-bonded Turntrans-88.1-5.3172.6-79.7-21.2000113.8D83D81-D83 PolarHBondContact O-N 2.98Å
82T54.2Low67.7Low113 Ų113104.1 Ų104.169%0.69357%0.574SS**THydrogen-bonded Turntrans-73.875.8152.956.20000107.2E84T82-E84 PolarHBondContact O-N 3.45Å
83D49.5Very low67.5Low95 Ų95102.1 Ų102.151%0.50857%0.569SS.*THydrogen-bonded Turntrans52.167.9142.2-144.32.1000109.9D81 Q85 T86 D87D81-D83 PolarHBondContact O-N 2.98Å; D83-Q85 CarbonylContact O-C 3.59Å; D83-Q85 PolarHBondContact O-N 3.08Å; D83-T86 WeakPolarHBondContact O-CA 3.47Å; D83-T86 WeakPolarHBondContact O-CB 3.47Å; D83-T86 PolarHBondContact O-N 3.01Å; D83-T86 PolarHBondContact OD1-OG1 3.41Å; D83-T86 WeakPolarHBondContact OD2-CB 3.47Å; D83-T86 PolarHBondContact OD2-OG1 2.72Å; D83-D87 PolarHBondContact O-N 2.9Å
84E56.7Low67.3Low99 Ų99101 Ų10146%0.46356%0.563SS.*Hα-helixtrans-57.5-13.9176.5-179162.5135.900111.9Q80 T82 K88Q80-E84 PolarHBondContact NE2-OE2 2.84Å; T82-E84 PolarHBondContact O-N 3.45Å; E84-K88 IonicContact OE1-NZ 3.52Å
85Q49.6Very low67.4Low153 Ų153101.9 Ų101.972%0.71557%0.572SS**Hα-helixtrans-71-35.6165.8-163.694.15.300112.6D83 T89D83-Q85 CarbonylContact O-C 3.59Å; D83-Q85 PolarHBondContact O-N 3.08Å; Q85-T89 WeakPolarHBondContact O-CB 3.32Å; Q85-T89 PolarHBondContact O-N 3.39Å; Q85-T89 PolarHBondContact O-OG1 3.39Å
86T57.5Low68.1Low67 Ų67100.9 Ų100.941%0.41156%0.562SS.*Hα-helixtrans-86.3-29.8-173.3-57.10000113D83 T89 L90D83-T86 WeakPolarHBondContact O-CA 3.47Å; D83-T86 WeakPolarHBondContact O-CB 3.47Å; D83-T86 PolarHBondContact O-N 3.01Å; D83-T86 PolarHBondContact OD1-OG1 3.41Å; D83-T86 WeakPolarHBondContact OD2-CB 3.47Å; D83-T86 PolarHBondContact OD2-OG1 2.72Å; T86-T89 PolarHBondContact O-N 2.89Å; T86-L90 VanDerWaalsContact O-CB 3.26Å; T86-L90 WeakPolarHBondContact O-CB 3.42Å; T86-L90 PolarHBondContact O-N 3.21Å
87D61.1Low69.4Low115 Ų115101.9 Ų101.962%0.61556%0.564SS**Hα-helixtrans-66.7-46.9175.5-173.921.9000112D83 T89 L90 G91D83-D87 PolarHBondContact O-N 2.9Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 3.36Å; D87-L90 PolarHBondContact O-N 2.95Å; D87-G91 PolarHBondContact O-N 3.19Å
88K68.8Low71.1Confident132 Ų132100 Ų10057%0.57456%0.558SS**Hα-helixtrans-60.4-40174.6-69173.6-176148.60111E84 I92E84-K88 IonicContact OE1-NZ 3.52Å; K88-I92 WeakPolarHBondContact O-CB 3.36Å; K88-I92 VanDerWaalsContact O-CD1 3.31Å; K88-I92 WeakPolarHBondContact O-CD1 3.42Å; K88-I92 WeakPolarHBondContact O-CG1 3.32Å; K88-I92 PolarHBondContact O-N 3.5Å; K88-I92 VanDerWaalsContact O-N 3.08Å
89T72.7Confident73Confident86 Ų8696.2 Ų96.253%0.52854%0.542SS..Hα-helixtrans-66.7-40.4177.7-57.50000111.8Q85 T86 D87 I92 A93Q85-T89 WeakPolarHBondContact O-CB 3.32Å; Q85-T89 PolarHBondContact O-N 3.39Å; Q85-T89 PolarHBondContact O-OG1 3.39Å; T86-T89 PolarHBondContact O-N 2.89Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 3.36Å; T89-I92 PolarHBondContact O-N 3.04Å; T89-A93 VanDerWaalsContact O-CB 3.25Å; T89-A93 WeakPolarHBondContact O-CB 3.29Å; T89-A93 PolarHBondContact O-N 3.03Å
90L75.8Confident75Confident97 Ų9797.8 Ų97.851%0.50854%0.543SS..Hα-helixtrans-68.2-44.7178.4-175.363.9000111.3T86 D87 I92 A93 L94T86-L90 VanDerWaalsContact O-CB 3.26Å; T86-L90 WeakPolarHBondContact O-CB 3.42Å; T86-L90 PolarHBondContact O-N 3.21Å; D87-L90 PolarHBondContact O-N 2.95Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 3.48Å; L90-A93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.27Å; L90-L94 HydrophobicContact CG-CD1 4.13Å; L90-L94 HydrophobicContact CG-CG 4.4Å; L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.01Å; L90-L94 PolarHBondContact O-N 3.08Å
91G80.1Confident77.1Confident42 Ų4297.5 Ų97.543%0.43354%0.54SS..Hα-helixtrans-58.2-42.5174.900000112.4D87 S95D87-G91 PolarHBondContact O-N 3.19Å; G91-S95 VanDerWaalsContact O-CB 3.28Å; G91-S95 WeakPolarHBondContact O-CB 3.49Å; G91-S95 PolarHBondContact O-N 3.27Å
92I86.6Confident79.2Confident109 Ų10996.4 Ų96.456%0.55953%0.527SS*.Hα-helixtrans-67.9-43.1175.2-65.8164.8000111.1K88 T89 L90 L94 S95 T96K88-I92 WeakPolarHBondContact O-CB 3.36Å; K88-I92 VanDerWaalsContact O-CD1 3.31Å; K88-I92 WeakPolarHBondContact O-CD1 3.42Å; K88-I92 WeakPolarHBondContact O-CG1 3.32Å; K88-I92 PolarHBondContact O-N 3.5Å; K88-I92 VanDerWaalsContact O-N 3.08Å; T89-I92 PolarHBondContact O-N 3.04Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 3.48Å; I92-L94 PolarHBondContact O-N 2.96Å; I92-S95 PolarHBondContact O-N 2.58Å; I92-T96 HydrophobicContact CG2-CG2 4.3Å; I92-T96 WeakPolarHBondContact O-CB 3.35Å; I92-T96 WeakPolarHBondContact O-CG2 3.36Å; I92-T96 PolarHBondContact O-N 2.65Å; I92-T96 PolarHBondContact O-OG1 3.18Å
93A89.8Confident81.4Confident41 Ų4194.2 Ų94.234%0.33952%0.516SS..Hα-helixtrans-62.5-43.517900000111.9T89 L90 T96 C97T89-A93 VanDerWaalsContact O-CB 3.25Å; T89-A93 WeakPolarHBondContact O-CB 3.29Å; T89-A93 PolarHBondContact O-N 3.03Å; L90-A93 PolarHBondContact O-N 3.29Å; A93-T96 WeakPolarHBondContact CA-OG1 3.38Å; A93-T96 PolarHBondContact O-OG1 3.33Å; A93-C97 VanDerWaalsContact O-CB 3.28Å; A93-C97 WeakPolarHBondContact O-CB 3.47Å; A93-C97 PolarHBondContact O-N 3.42Å; A93-C97 PolarHBondContact O-SG 2.95Å
94L89Confident83.7Confident102 Ų10291.8 Ų91.853%0.53451%0.509SS..Hα-helixtrans-65.9-44176.5-67.7176.7000111.4L90 I92 C97 L98L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.27Å; L90-L94 HydrophobicContact CG-CD1 4.13Å; L90-L94 HydrophobicContact CG-CG 4.4Å; L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.01Å; L90-L94 PolarHBondContact O-N 3.08Å; I92-L94 PolarHBondContact O-N 2.96Å; L94-C97 PolarHBondContact O-N 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 2.98Å
95S92.3Very high85.7Confident69 Ų6990.5 Ų90.548%0.48351%0.505SS..Hα-helixtrans-60-48.1177.3-179.10000112G91 I92 L98 V99G91-S95 VanDerWaalsContact O-CB 3.28Å; G91-S95 WeakPolarHBondContact O-CB 3.49Å; G91-S95 PolarHBondContact O-N 3.27Å; I92-S95 PolarHBondContact O-N 2.58Å; S95-L98 PolarHBondContact O-N 3.37Å; S95-V99 WeakPolarHBondContact O-CG2 3.21Å; S95-V99 PolarHBondContact O-N 3.24Å; S95-V99 VanDerWaalsContact O-N 3.08Å
96T94.6Very high88Confident68 Ų6885.9 Ų85.942%0.41749%0.493SS..Hα-helixtrans-65.8-40.2178.352.60000112.4I92 A93 L98 V99 I100I92-T96 HydrophobicContact CG2-CG2 4.3Å; I92-T96 WeakPolarHBondContact O-CB 3.35Å; I92-T96 WeakPolarHBondContact O-CG2 3.36Å; I92-T96 PolarHBondContact O-N 2.65Å; I92-T96 PolarHBondContact O-OG1 3.18Å; A93-T96 WeakPolarHBondContact CA-OG1 3.38Å; A93-T96 PolarHBondContact O-OG1 3.33Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.41Å; T96-V99 PolarHBondContact O-N 2.97Å; T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.04Å; T96-I100 PolarHBondContact O-N 2.77Å
97C96.2Very high90Very high80 Ų8088.3 Ų88.354%0.54150%0.502SS..Hα-helixtrans-58.3-42.8173.7-79.40000112.3A93 L94 I100 F101A93-C97 VanDerWaalsContact O-CB 3.28Å; A93-C97 WeakPolarHBondContact O-CB 3.47Å; A93-C97 PolarHBondContact O-N 3.42Å; A93-C97 PolarHBondContact O-SG 2.95Å; L94-C97 PolarHBondContact O-N 3.3Å; C97-I100 PolarHBondContact O-N 3.31Å; C97-F101 WeakPolarHBondContact O-CB 3.24Å; C97-F101 PolarHBondContact O-N 2.88Å
98L97.1Very high91.8Very high104 Ų10487.6 Ų87.655%0.54550%0.498SS..Hα-helixtrans-65.1-44.6177.2-70.2177.8000111.8L94 S95 T96 I100 F101 F102L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 2.98Å; S95-L98 PolarHBondContact O-N 3.37Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.41Å; L98-I100 PolarHBondContact O-N 3.43Å; L98-F101 WeakPolarHBondContact O-CB 3.43Å; L98-F101 PolarHBondContact O-N 2.85Å; L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 3.43Å
99V98.1Very high93.2Very high85 Ų8585.3 Ų85.352%0.51550%0.495SS..Hα-helixtrans-59.8-47.3176.8173.70000111S95 T96 F101 F102 C103S95-V99 WeakPolarHBondContact O-CG2 3.21Å; S95-V99 PolarHBondContact O-N 3.24Å; S95-V99 VanDerWaalsContact O-N 3.08Å; T96-V99 PolarHBondContact O-N 2.97Å; V99-F101 VanDerWaalsContact C-N 3.32Å; V99-F101 PolarHBondContact O-N 3.18Å; V99-F102 PolarHBondContact O-N 2.85Å; V99-C103 WeakPolarHBondContact O-CB 3.11Å; V99-C103 PolarHBondContact O-N 2.85Å; V99-C103 PolarHBondContact O-SG 3.24Å
100I97.9Very high94.4Very high117 Ų11787.1 Ų87.160%0.650%0.496SS*.Hα-helixtrans-60.4-43.1178.2-68.2166.8000110.8T96 C97 L98 C103 A104T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.04Å; T96-I100 PolarHBondContact O-N 2.77Å; C97-I100 PolarHBondContact O-N 3.31Å; L98-I100 PolarHBondContact O-N 3.43Å; I100-C103 PolarHBondContact O-N 3.2Å; I100-A104 WeakPolarHBondContact O-CB 3.27Å; I100-A104 PolarHBondContact O-N 3.41Å
101F98.2Very high95.4Very high116 Ų11685 Ų8551%0.50949%0.492SS..Hα-helixtrans-59.7-48.9177178.2-101.3000112C97 L98 V99 C103 A104 L105C97-F101 WeakPolarHBondContact O-CB 3.24Å; C97-F101 PolarHBondContact O-N 2.88Å; L98-F101 WeakPolarHBondContact O-CB 3.43Å; L98-F101 PolarHBondContact O-N 2.85Å; V99-F101 VanDerWaalsContact C-N 3.32Å; V99-F101 PolarHBondContact O-N 3.18Å; F101-C103 PolarHBondContact O-N 3.35Å; F101-A104 PolarHBondContact O-N 3.06Å; F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CD1-CG 4.4Å; F101-L105 HydrophobicContact CE1-CD1 3.36Å; F101-L105 HydrophobicContact CE1-CG 4.09Å; F101-L105 HydrophobicContact CE2-CD1 4.49Å; F101-L105 HydrophobicContact CE2-CG 4.49Å; F101-L105 HydrophobicContact CZ-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD2 4.31Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 3Å
102F98.5Very high96.2Very high134 Ų13492.1 Ų92.159%0.58851%0.506SS*.Hα-helixtrans-64.7-38.3177.7-73.8-63.2000112.7L98 V99 L105 A106L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 3.43Å; V99-F102 PolarHBondContact O-N 2.85Å; F102-L105 PolarHBondContact O-N 3.16Å; F102-A106 WeakPolarHBondContact O-CB 3.43Å; F102-A106 PolarHBondContact O-N 3.31Å
103C98.7Very high96.7Very high67 Ų6793.1 Ų93.145%0.45350%0.504SS..Hα-helixtrans-60.9-44.7172.7-71.80000111.5V99 I100 F101 L105 A106 I107V99-C103 WeakPolarHBondContact O-CB 3.11Å; V99-C103 PolarHBondContact O-N 2.85Å; V99-C103 PolarHBondContact O-SG 3.24Å; I100-C103 PolarHBondContact O-N 3.2Å; F101-C103 PolarHBondContact O-N 3.35Å; C103-L105 PolarHBondContact O-N 3.41Å; C103-A106 PolarHBondContact O-N 3.07Å; C103-I107 WeakPolarHBondContact O-CB 3.4Å; C103-I107 WeakPolarHBondContact O-CD1 2.99Å; C103-I107 WeakPolarHBondContact O-CG1 3.03Å; C103-I107 PolarHBondContact O-N 2.79Å
104A98.6Very high97Very high44 Ų4494.8 Ų94.836%0.36451%0.507SS..Hα-helixtrans-61.8-43.9176.600000111.5I100 F101 A106 I107 L108I100-A104 WeakPolarHBondContact O-CB 3.27Å; I100-A104 PolarHBondContact O-N 3.41Å; F101-A104 PolarHBondContact O-N 3.06Å; A104-A106 PolarHBondContact O-N 3.4Å; A104-I107 PolarHBondContact O-N 2.91Å; A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 WeakPolarHBondContact O-CG 3.15Å; A104-L108 PolarHBondContact O-N 2.92Å
105L98.6Very high97.2Very high73 Ų7396.6 Ų96.638%0.38251%0.51SS..Hα-helixtrans-61.8-43.2175.1-67.9-173.7000112.4F101 F102 C103 L108 T109F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CD1-CG 4.4Å; F101-L105 HydrophobicContact CE1-CD1 3.36Å; F101-L105 HydrophobicContact CE1-CG 4.09Å; F101-L105 HydrophobicContact CE2-CD1 4.49Å; F101-L105 HydrophobicContact CE2-CG 4.49Å; F101-L105 HydrophobicContact CZ-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD2 4.31Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 3Å; F102-L105 PolarHBondContact O-N 3.16Å; C103-L105 PolarHBondContact O-N 3.41Å; L105-L108 PolarHBondContact O-N 3.35Å; L105-T109 WeakPolarHBondContact O-CB 3.09Å; L105-T109 VanDerWaalsContact O-CG2 3.31Å; L105-T109 WeakPolarHBondContact O-CG2 3.38Å; L105-T109 PolarHBondContact O-N 3.28Å; L105-T109 PolarHBondContact O-OG1 2.79Å
106A98.6Very high97.1Very high55 Ų5599.6 Ų99.646%0.45552%0.516SS..Hα-helixtrans-62-42.5176.100000111.8F102 C103 A104 T109 F110F102-A106 WeakPolarHBondContact O-CB 3.43Å; F102-A106 PolarHBondContact O-N 3.31Å; C103-A106 PolarHBondContact O-N 3.07Å; A104-A106 PolarHBondContact O-N 3.4Å; A106-T109 WeakPolarHBondContact CA-OG1 3.3Å; A106-T109 PolarHBondContact O-OG1 2.77Å; A106-F110 VanDerWaalsContact O-CB 3.29Å; A106-F110 WeakPolarHBondContact O-CB 3.49Å; A106-F110 PolarHBondContact O-N 3.09Å
107I98.5Very high97Very high119 Ų119101.3 Ų101.361%0.6152%0.518SS*.Hα-helixtrans-64.7-43.7176.4-67.6163.1000110.7C103 A104 F110 A111C103-I107 WeakPolarHBondContact O-CB 3.4Å; C103-I107 WeakPolarHBondContact O-CD1 2.99Å; C103-I107 WeakPolarHBondContact O-CG1 3.03Å; C103-I107 PolarHBondContact O-N 2.79Å; A104-I107 PolarHBondContact O-N 2.91Å; I107-F110 PolarHBondContact O-N 3.1Å; I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 2.97Å
108L98.4Very high96.6Very high99 Ų99107.3 Ų107.352%0.51853%0.529SS..Hα-helixtrans-65-43.1179.5-72.7172.7000112.4A104 L105 A111 R112A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 WeakPolarHBondContact O-CG 3.15Å; A104-L108 PolarHBondContact O-N 2.92Å; L105-L108 PolarHBondContact O-N 3.35Å; L108-A111 PolarHBondContact O-N 3.05Å; L108-R112 WeakPolarHBondContact O-CG 3.38Å; L108-R112 PolarHBondContact O-N 3.12Å
109T98.3Very high95.9Very high85 Ų85107.3 Ų107.352%0.52153%0.526SS..Hα-helixtrans-65.4-42.2176.651.10000111.6L105 A106 R112 Y113L105-T109 WeakPolarHBondContact O-CB 3.09Å; L105-T109 VanDerWaalsContact O-CG2 3.31Å; L105-T109 WeakPolarHBondContact O-CG2 3.38Å; L105-T109 PolarHBondContact O-N 3.28Å; L105-T109 PolarHBondContact O-OG1 2.79Å; A106-T109 WeakPolarHBondContact CA-OG1 3.3Å; A106-T109 PolarHBondContact O-OG1 2.77Å; T109-R112 PolarHBondContact O-N 3.26Å; T109-Y113 PolarHBondContact O-N 3.11Å
110F98.2Very high95Very high124 Ų124106 Ų10654%0.54452%0.521SS..Hα-helixtrans-64.2-40.7175.7-172.4-109.8000112.4A106 I107 R112 Y113 L114A106-F110 VanDerWaalsContact O-CB 3.29Å; A106-F110 WeakPolarHBondContact O-CB 3.49Å; A106-F110 PolarHBondContact O-N 3.09Å; I107-F110 PolarHBondContact O-N 3.1Å; F110-R112 VanDerWaalsContact C-N 3.35Å; F110-R112 PolarHBondContact O-N 3.14Å; F110-Y113 HydrophobicContact CD2-CD1 4.42Å; F110-Y113 HydrophobicContact CE2-CD1 4.36Å; F110-Y113 WeakPolarHBondContact O-CB 3.49Å; F110-Y113 PolarHBondContact O-N 3.3Å; F110-L114 HydrophobicContact CD1-CD1 3.93Å; F110-L114 HydrophobicContact CD1-CG 4.27Å; F110-L114 HydrophobicContact CE1-CD1 3.51Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CZ-CD1 4.09Å; F110-L114 HydrophobicContact CZ-CD2 4.09Å; F110-L114 HydrophobicContact CZ-CG 4.14Å; F110-L114 WeakPolarHBondContact O-CG 3.34Å; F110-L114 PolarHBondContact O-N 3.02Å
111A97.6Very high93.8Very high52 Ų52107.7 Ų107.743%0.4352%0.524SS..Hα-helixtrans-61.4-42.1174.900000112.2I107 L108 L114 K115I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 2.97Å; L108-A111 PolarHBondContact O-N 3.05Å; A111-L114 PolarHBondContact O-N 3.17Å; A111-K115 PolarHBondContact O-N 3.26Å
112R97.4Very high92.2Very high191 Ų191109.2 Ų109.272%0.72154%0.537SS*.Hα-helixtrans-61.5-43.8173.9-72.6177.2-178.7178.21.4111.6L108 T109 F110 K115 H116L108-R112 WeakPolarHBondContact O-CG 3.38Å; L108-R112 PolarHBondContact O-N 3.12Å; T109-R112 PolarHBondContact O-N 3.26Å; F110-R112 VanDerWaalsContact C-N 3.35Å; F110-R112 PolarHBondContact O-N 3.14Å; R112-K115 PolarHBondContact O-N 2.86Å; R112-H116 PolarHBondContact O-N 3.45Å; R112-H116 VanDerWaalsContact O-N 3.12Å
113Y96.1Very high90.6Very high131 Ų131112 Ų11251%0.51455%0.549SS..Hα-helixtrans-58.8-47175.2169.3-95.8000112.3T109 F110 K115 H116 K117T109-Y113 PolarHBondContact O-N 3.11Å; F110-Y113 HydrophobicContact CD2-CD1 4.42Å; F110-Y113 HydrophobicContact CE2-CD1 4.36Å; F110-Y113 WeakPolarHBondContact O-CB 3.49Å; F110-Y113 PolarHBondContact O-N 3.3Å; Y113-K115 VanDerWaalsContact C-N 3.35Å; Y113-K115 PolarHBondContact O-N 2.89Å; Y113-H116 PolarHBondContact O-N 3.26Å; Y113-K117 HydrophobicContact CE1-CD 4.38Å; Y113-K117 PolarHBondContact O-N 3.36Å
114L95.7Very high88.6Confident76 Ų76113 Ų11340%0.39856%0.556SS.*Hα-helixtrans-63.4-39.1178.5-71.3-178.1000112.6F110 A111 H116 K117 R118F110-L114 HydrophobicContact CD1-CD1 3.93Å; F110-L114 HydrophobicContact CD1-CG 4.27Å; F110-L114 HydrophobicContact CE1-CD1 3.51Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CZ-CD1 4.09Å; F110-L114 HydrophobicContact CZ-CD2 4.09Å; F110-L114 HydrophobicContact CZ-CG 4.14Å; F110-L114 WeakPolarHBondContact O-CG 3.34Å; F110-L114 PolarHBondContact O-N 3.02Å; A111-L114 PolarHBondContact O-N 3.17Å; L114-H116 VanDerWaalsContact C-N 3.34Å; L114-K117 PolarHBondContact O-N 3.03Å; L114-R118 PolarHBondContact O-N 2.83Å
115K94.9Very high86.6Confident140 Ų140115.2 Ų115.261%0.60957%0.569SS**Hα-helixtrans-60-46.3176-170177.5178.4-177.50110.9A111 R112 Y113 K117 R118 E119A111-K115 PolarHBondContact O-N 3.26Å; R112-K115 PolarHBondContact O-N 2.86Å; Y113-K115 VanDerWaalsContact C-N 3.35Å; Y113-K115 PolarHBondContact O-N 2.89Å; K115-K117 PolarHBondContact O-N 2.83Å; K115-R118 PolarHBondContact O-N 2.91Å; K115-E119 PolarHBondContact O-N 2.77Å
116H89.6Confident84.5Confident131 Ų131116.8 Ų116.861%0.60658%0.584SS**Hα-helixtrans-63.6-39178.1-170.6-91.5000113R112 Y113 L114 R118 E119 S120R112-H116 PolarHBondContact O-N 3.45Å; R112-H116 VanDerWaalsContact O-N 3.12Å; Y113-H116 PolarHBondContact O-N 3.26Å; L114-H116 VanDerWaalsContact C-N 3.34Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.35Å; H116-E119 PolarHBondContact O-N 3Å; H116-S120 PolarHBondContact O-N 3.1Å
117K92.7Very high82.2Confident105 Ų105119 Ų11946%0.45760%0.603SS.*Hα-helixtrans-66.4-29.9178.6-169.9172.9-176.3174.50113.2Y113 L114 K115 S120 K121Y113-K117 HydrophobicContact CE1-CD 4.38Å; Y113-K117 PolarHBondContact O-N 3.36Å; L114-K117 PolarHBondContact O-N 3.03Å; K115-K117 PolarHBondContact O-N 2.83Å; K117-S120 PolarHBondContact O-OG 2.97Å; K117-S120 VanDerWaalsContact O-OG 3.07Å; K117-K121 WeakPolarHBondContact O-CG 3.49Å; K117-K121 PolarHBondContact O-N 3.18Å
118R87.6Confident80Confident206 Ų206117.4 Ų117.478%0.77761%0.607SS**Hα-helixtrans-70.8-41.9173.8-73.5-179.5171.5177.3-2111.4L114 K115 H116 S120 K121 L122L114-R118 PolarHBondContact O-N 2.83Å; K115-R118 PolarHBondContact O-N 2.91Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.35Å; R118-S120 VanDerWaalsContact C-N 3.34Å; R118-S120 PolarHBondContact O-N 2.99Å; R118-K121 PolarHBondContact O-N 3.25Å; R118-L122 PolarHBondContact O-N 2.03Å
119E82.3Confident77.5Confident103 Ų103117 Ų11748%0.48162%0.618SS.*Hα-helixtrans-66.5-35.3179.2-67.9172.3-173.200112.1K115 H116 L122K115-E119 PolarHBondContact O-N 2.77Å; H116-E119 PolarHBondContact O-N 3Å; E119-L122 PolarHBondContact O-N 3.07Å
120S79.3Confident75.5Confident59 Ų59120.3 Ų120.341%0.41363%0.631SS.*Hα-helixtrans-70.3-37.6176.166.60000113.1H116 K117 R118 L122 K123 S124H116-S120 PolarHBondContact O-N 3.1Å; K117-S120 PolarHBondContact O-OG 2.97Å; K117-S120 VanDerWaalsContact O-OG 3.07Å; R118-S120 VanDerWaalsContact C-N 3.34Å; R118-S120 PolarHBondContact O-N 2.99Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.23Å; S120-K123 PolarHBondContact O-N 2.73Å; S120-S124 PolarHBondContact O-N 2.79Å
121K72.5Confident73.4Confident151 Ų151119.4 Ų119.466%0.65764%0.637SS**Hα-helixtrans-65.9-31.6175-75-123.5-177.9-177.50112.9K117 R118 K123K117-K121 WeakPolarHBondContact O-CG 3.49Å; K117-K121 PolarHBondContact O-N 3.18Å; R118-K121 PolarHBondContact O-N 3.25Å; K121-K123 VanDerWaalsContact C-N 3.34Å
122L65.1Low71.1Confident148 Ų148126.9 Ų126.978%0.77566%0.66SS**Hα-helixtrans-70.5-30.8179.9-166.265.7000112.3R118 E119 S120R118-L122 PolarHBondContact O-N 2.03Å; E119-L122 PolarHBondContact O-N 3.07Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.23Å
123K63.6Low68.3Low193 Ų193123.3 Ų123.384%0.83966%0.663SS**Hα-helixtrans-83.2-17.4179.4-72.1-179.9178179.20114.4S120 K121S120-K123 PolarHBondContact O-N 2.73Å; K121-K123 VanDerWaalsContact C-N 3.34Å
124S57.6Low65.9Low87 Ų87126.7 Ų126.761%0.60868%0.68SS**THydrogen-bonded Turntrans-100.25.8-176.275.40000114.4S120 P126S120-S124 PolarHBondContact O-N 2.79Å; S124-P126 WeakPolarHBondContact O-CD 3.11Å
125S55.1Low63.4Low92 Ų92129.3 Ų129.364%0.64370%0.7SS**SBendtrans-83.6105.3168.8-167.70000107.8A127S125-A127 PolarHBondContact O-N 2.96Å
126P55.8Low61.5Low105 Ų105128.2 Ų128.268%0.68271%0.707SS**  trans-57.9138.4170.626.3-32.3000107S124 A128S124-P126 WeakPolarHBondContact O-CD 3.11Å; P126-A128 PolarHBondContact O-N 3.16Å
127A50.4Low59.2Low103 Ų103127.6 Ų127.685%0.85172%0.715SS**  trans-49.297.3168.500000107.7S125 A129S125-A127 PolarHBondContact O-N 2.96Å; A127-A129 PolarHBondContact O-N 3.27Å
128A52.6Low56.9Low85 Ų85130.9 Ų130.970%0.70273%0.732SS**  trans-63.3108.517600000104.7P126 I130P126-A128 PolarHBondContact O-N 3.16Å; A128-I130 PolarHBondContact O-N 3.16Å
129A44.6Very low54.7Low91 Ų91129.5 Ų129.575%0.75273%0.734SS**  trans-50113.6176.300000107.9A127 P131A127-A129 PolarHBondContact O-N 3.27Å; A129-P131 WeakPolarHBondContact O-CD 3.35Å; A129-P131 VanDerWaalsContact O-N 3.16Å
130I57.2Low53Low154 Ų154131.1 Ų131.179%0.7975%0.75SS**  trans-62.9110.6-179.1-59166.6000107.3A128 K132A128-I130 PolarHBondContact O-N 3.16Å; I130-K132 PolarHBondContact O-N 2.98Å
131P53.6Low51.4Low104 Ų104136.9 Ų136.968%0.67577%0.771SS**  trans-74.4126.6163.10.719.8000105.7A129 C133A129-P131 WeakPolarHBondContact O-CD 3.35Å; A129-P131 VanDerWaalsContact O-N 3.16Å; P131-C133 PolarHBondContact O-N 2.92Å
132K49.9Very low50.1Low209 Ų209134.3 Ų134.391%0.90978%0.778SS**  trans-58.3100.7174.9-68.2-179.3179.2179.80109.2I130 K134I130-K132 PolarHBondContact O-N 2.98Å; K132-K134 PolarHBondContact O-N 2.87Å
133C38.8Very low49.2Very low117 Ų117136.6 Ų136.679%0.79178%0.784SS**PPolyproline II helixtrans-73.8116.3166.5-68.20000108.1P131 T135P131-C133 PolarHBondContact O-N 2.92Å; C133-T135 PolarHBondContact O-N 3.2Å
134K45.1Very low48.3Very low201 Ų201136 Ų13687%0.87479%0.785SS**PPolyproline II helixtrans-73.3116.3169-168.1168.8-175.8178.90107.1K132 P136K132-K134 PolarHBondContact O-N 2.87Å; K134-P136 WeakPolarHBondContact O-CD 3.36Å
135T43.6Very low47.8Very low132 Ų132140.1 Ų140.181%0.8179%0.792SS**PPolyproline II helixtrans-69.6130.8177.546.50000111.6C133C133-T135 PolarHBondContact O-N 3.2Å
136P54.6Low47.6Very low117 Ų117141.9 Ų141.976%0.7679%0.794SS**  trans-105.6138.3147.3-3.725.3000109.7K134K134-P136 WeakPolarHBondContact O-CD 3.36Å
137P42.1Very low47Very low117 Ų117143.5 Ų143.576%0.7680%0.797SS**  trans-86.1135.7175.234.8-29.5000109.9
138E43.6Very low47Very low174 Ų174149.1 Ų149.181%0.81380%0.796SS**  trans179.594.6145.6-149139.210500107
139Q40.6Very low47.2Very low178 Ų178151 Ų15183%0.83280%0.8SS**  46.689.4101.7-52.8-59.1-76.200113.2
140V47.1Very low47.1Very low136 Ų136155.6 Ų155.682%0.82481%0.809SS**  trans-135.6127.7156.7179.60000107.2
141E45.1Very low46.1Very low181 Ų181158.1 Ų158.185%0.84681%0.814SS**PPolyproline II helixtrans-52.1144.5-172.4-78.4108.2135.600115.5
142A45Very low45.5Very low97 Ų97164.5 Ų164.580%0.80283%0.825SS**PPolyproline II helixtrans-76.2119169.100000109.9
143E47.6Very low45Very low195 Ų195159.4 Ų159.491%0.91182%0.816SS**PPolyproline II helixtrans-80.6117.7159.7-98.6-144.5110.300109.6F145E143-F145 PolarHBondContact O-N 3.24Å
144E43.7Very low45.3Very low181 Ų181158.7 Ų158.785%0.84681%0.812SS**  trans-74.8103.1174.5-172.284.9-158.100109.4D146E144-D146 PolarHBondContact O-N 2.9Å
145F48.3Very low45.3Very low173 Ų173155.9 Ų155.976%0.75981%0.806SS**  trans-86.9102176-171-101.8000110.3E143 L147E143-F145 PolarHBondContact O-N 3.24Å; F145-L147 HydrophobicContact CD1-CD1 3.54Å; F145-L147 HydrophobicContact CD1-CG 4.3Å; F145-L147 HydrophobicContact CE1-CD1 3.9Å; F145-L147 HydrophobicContact CE1-CG 4.24Å; F145-L147 PolarHBondContact O-N 3.08Å
146D49.9Very low45.8Very low130 Ų130154.2 Ų154.270%0.69580%0.799SS**  trans-72.897.5-176.8-171.55.7000112.3E144 R148E144-D146 PolarHBondContact O-N 2.9Å; D146-R148 PolarHBondContact O-N 2.03Å
147L42.8Very low45.7Very low139 Ų139152.2 Ų152.273%0.72879%0.792SS**  trans-81.399.8169.5-84.198.9000110.7F145F145-L147 HydrophobicContact CD1-CD1 3.54Å; F145-L147 HydrophobicContact CD1-CG 4.3Å; F145-L147 HydrophobicContact CE1-CD1 3.9Å; F145-L147 HydrophobicContact CE1-CG 4.24Å; F145-L147 PolarHBondContact O-N 3.08Å
148R50.4Low46.4Very low221 Ų221151.3 Ų151.383%0.83479%0.785SS**PPolyproline II helixtrans-61.5130.6166.4-60.8-176.9-155.9178.77.1111D146D146-R148 PolarHBondContact O-N 2.03Å
149P57.1Low46.9Very low123 Ų123149.9 Ų149.980%0.79978%0.778SS**PPolyproline II helixtrans-79.8133.6172.130-30000111K151P149-K151 PolarHBondContact O-N 2.77Å
150M43.1Very low47.5Very low189 Ų189147.9 Ų147.993%0.93177%0.773SS**PPolyproline II helixtrans-59.4123.7169.8-82.3-179.5136.500110.6R152M150-R152 PolarHBondContact O-N 2.03Å
151K36.2Very low48.1Very low206 Ų206149.5 Ų149.590%0.89677%0.769SS**  trans-63.6110.6175.9-128.6172.5-177.1177.80109.4P149 S153P149-K151 PolarHBondContact O-N 2.77Å; K151-S153 PolarHBondContact O-N 3.5Å; K151-S153 VanDerWaalsContact O-N 3.09Å
152R40.2Very low48.3Very low238 Ų238148 Ų14890%0.89876%0.76SS**  trans-69.495.4167.3-72.7178177174.2-1.6108.8M150M150-R152 PolarHBondContact O-N 2.03Å
153S39.7Very low48.4Very low103 Ų103150.5 Ų150.572%0.7276%0.759SS**  trans-81.8150.3157.561.70000108.8K151K151-S153 PolarHBondContact O-N 3.5Å; K151-S153 VanDerWaalsContact O-N 3.09Å
154S45.2Very low48.6Very low101 Ų101148.4 Ų148.471%0.70675%0.754SS**  trans85.164.5178.580.10000116.4
155L46.5Very low48.8Very low143 Ų143147.3 Ų147.375%0.74975%0.751SS**SBendtrans-128.5-8.1154.2-112153000113.2
156S52.1Low48.4Very low96 Ų96146.1 Ų146.167%0.67175%0.753SS**SBendtrans-91.3-22.5175.456.40000114.4V158S156-V158 PolarHBondContact O-N 3.26Å
157A53Low48Very low75 Ų75147.3 Ų147.362%0.6276%0.758SS**THydrogen-bonded Turntrans-77-19.6-173.600000114.4
158V56.4Low48.1Very low99 Ų99147.5 Ų147.560%0.676%0.759SS**THydrogen-bonded Turntrans-87.5-18.2-179.8-167.60000111.4S156 F162S156-V158 PolarHBondContact O-N 3.26Å; V158-F162 HydrophobicContact CG1-CE2 4.47Å
159Q55.1Low47.6Very low143 Ų143141.2 Ų141.267%0.66875%0.754SS**THydrogen-bonded Turntrans-82.7-24.4-176.2-163.4152.7-1400113.1
160D52.3Low46.8Very low137 Ų137141.4 Ų141.473%0.73376%0.756SS**SBendtrans-81.5-12.6178.1-77.8-20.6000114.2
161F59.8Low46.6Very low170 Ų170140.9 Ų140.975%0.74675%0.751SS**SBendtrans-77.2-24.4-179.9-160.5-97.3000113.1
162F51Low46.8Very low150 Ų150138.6 Ų138.666%0.65875%0.749SS**SBendtrans-95.2-4.2-169.4-77.1-78.4000115.8V158V158-F162 HydrophobicContact CG1-CE2 4.47Å
163L46.1Very low46.6Very low149 Ų149132.3 Ų132.378%0.7875%0.748SS**SBendtrans-106.46.2-175.2-73.2-179.2000116.1
164N51.9Low46.6Very low151 Ų151133.2 Ų133.281%0.80775%0.751SS**  trans-115.620.6-175.1-10637.4000116.2N166N164-N166 PolarHBondContact O-N 3.17Å
165M46.8Very low46.2Very low158 Ų158132 Ų13278%0.77876%0.755SS**  trans-90.380169.2-65.9-165.8-63.200110.5
166N40.1Very low45.7Very low148 Ų148133.7 Ų133.779%0.79176%0.758SS**  trans-79.5106.9158-91.7-7.2000107.5N164N164-N166 PolarHBondContact O-N 3.17Å
167I42.2Very low45.5Very low155 Ų155138.1 Ų138.180%0.79577%0.769SS**  trans-110.3100.4163.7-60.6-171.1000105.9A169I167-A169 PolarHBondContact O-N 2.96Å
168D44.5Very low44.9Very low142 Ų142141.7 Ų141.776%0.75977%0.772SS**  trans-59.2127.6172.3-67-54.3000109.3
169A40.8Very low44.2Very low89 Ų89144.6 Ų144.674%0.73678%0.783SS**  trans-70.7132.9176.300000109.9I167 E171I167-A169 PolarHBondContact O-N 2.96Å; A169-E171 PolarHBondContact O-N 2.74Å
170P39.4Very low43.5Very low127 Ų127144.3 Ų144.383%0.82578%0.782SS**  trans-74.8104.9170.428.1-29.7000109.9N172P170-N172 PolarHBondContact O-N 3.03Å
171E39.1Very low43Very low178 Ų178141.6 Ų141.683%0.83278%0.778SS**  trans-67.3117152.5-83.3-176.8147.300107.8A169A169-E171 PolarHBondContact O-N 2.74Å
172N40.3Very low42.3Very low159 Ų159139.7 Ų139.785%0.8578%0.776SS**  trans173.493.6140.2-83.8-39.2000108.4P170 P174P170-N172 PolarHBondContact O-N 3.03Å; N172-P174 WeakPolarHBondContact O-CD 2.99Å
173A36.5Very low42.7Very low106 Ų106137.9 Ų137.988%0.87678%0.777SS**  trans-92.2120.7164.700000108.9
174P40.1Very low43.2Very low122 Ų122139.9 Ų139.979%0.79278%0.779SS**  trans-105.9117.916225.9-10.3000110.4N172N172-P174 WeakPolarHBondContact O-CD 2.99Å
175G36.6Very low43.3Very low76 Ų76139.8 Ų139.878%0.78478%0.777SS**  trans69.891.5135.400000117.9Q177G175-Q177 PolarHBondContact O-N 2.91Å
176E35.3Very low43.9Very low177 Ų177138.4 Ų138.483%0.82777%0.773SS**  trans-52.4117155.5-67157.1125.700111.1
177Q47.3Very low44.6Very low189 Ų189139.6 Ų139.688%0.88377%0.774SS**  trans-127.693.1149.7-88.9-175.4-35.300108.8G175 I179G175-Q177 PolarHBondContact O-N 2.91Å; Q177-I179 PolarHBondContact O-N 3.11Å
178Q40.5Very low45.4Very low150 Ų150141.9 Ų141.970%0.70177%0.774SS**  trans-79.195.8-176.7-158.6154.9-39.900108.9
179I42.6Very low46.1Very low161 Ų161141.8 Ų141.883%0.82677%0.773SS**  trans-93.995.4167.1-55.1-178.2000106.9Q177 A181Q177-I179 PolarHBondContact O-N 3.11Å; I179-A181 PolarHBondContact O-N 3.05Å
180Q41.2Very low46.9Very low137 Ų137144.9 Ų144.964%0.6478%0.777SS**  trans-8394.2178.4-169.8150.4-0.600109D182Q180-D182 WeakPolarHBondContact CG-OD1 3.48Å; Q180-D182 PolarHBondContact NE2-OD1 3.18Å
181A41.3Very low47.3Very low79 Ų79142.9 Ų142.965%0.65377%0.771SS**  trans-96.898.116600000107.7I179 V183I179-A181 PolarHBondContact O-N 3.05Å; A181-V183 VanDerWaalsContact C-N 3.28Å; A181-V183 PolarHBondContact O-N 3.21Å
182D44.2Very low47.8Very low130 Ų130143.2 Ų143.270%0.69577%0.77SS**  trans-69.584.5176.3-64.2-42.1000109.6Q180 K184Q180-D182 WeakPolarHBondContact CG-OD1 3.48Å; Q180-D182 PolarHBondContact NE2-OD1 3.18Å; D182-K184 PolarHBondContact O-N 3.25Å
183V59.7Low48.4Very low113 Ų113142.7 Ų142.769%0.68577%0.767SS**  trans-77.3102.2165.8-177.80000107.1A181 I185A181-V183 VanDerWaalsContact C-N 3.28Å; A181-V183 PolarHBondContact O-N 3.21Å; V183-I185 HydrophobicContact CG1-CG1 3.82Å; V183-I185 PolarHBondContact O-N 3.16Å; V183-I185 VanDerWaalsContact O-N 3.08Å
184K56Low49Very low191 Ų191144.6 Ų144.683%0.8376%0.763SS**  trans-68.6100.3166-78.5-177.3177.6178.80108.2D182 D186D182-K184 PolarHBondContact O-N 3.25Å; K184-D186 PolarHBondContact O-N 3.1Å
185I54.5Low49.5Very low148 Ų148147.9 Ų147.976%0.75976%0.764SS**  trans-87.5104.1167.7-53.2178.3000105.7V183 Q187V183-I185 HydrophobicContact CG1-CG1 3.82Å; V183-I185 PolarHBondContact O-N 3.16Å; V183-I185 VanDerWaalsContact O-N 3.08Å; I185-Q187 PolarHBondContact O-N 3.47Å
186D58.9Low49.9Very low129 Ų129153.7 Ų153.769%0.6977%0.771SS**  trans-61.8123.3172.4-72.6-36.5000108.7K184 Y188K184-D186 PolarHBondContact O-N 3.1Å; D186-Y188 PolarHBondContact O-N 3.12Å
187Q56.6Low50.2Low173 Ų173149.9 Ų149.981%0.80877%0.77SS**  trans-68.598.5-176.7-175.2177.6-25.300109.3I185I185-Q187 PolarHBondContact O-N 3.47Å
188Y57.9Low50.1Low203 Ų203147.4 Ų147.480%0.79676%0.763SS**  trans-77.5119.9168.4-89.5-95.1000109.6D186 L190D186-Y188 PolarHBondContact O-N 3.12Å; Y188-L190 PolarHBondContact O-N 2.86Å
189D59.8Low50.5Low141 Ų141148.3 Ų148.375%0.75477%0.767SS**  trans-66.8102.6174.5-70.2-43.8000110.1A191D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 PolarHBondContact O-N 3.11Å
190L56.4Low50.5Low153 Ų153146.7 Ų146.780%0.80176%0.76SS**  trans-69.892.1168.6-96.377.8000109.2Y188 K192Y188-L190 PolarHBondContact O-N 2.86Å; L190-K192 PolarHBondContact O-N 3.36Å; L190-K192 VanDerWaalsContact O-N 3.1Å
191A47.6Very low50.6Low86 Ų86147.2 Ų147.271%0.71177%0.767SS**  trans-65.2106.9164.700000109.1D189 N193D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 PolarHBondContact O-N 3.11Å; A191-N193 PolarHBondContact O-N 2.81Å
192K49.5Very low50.7Low184 Ų184150.8 Ų150.880%0.877%0.77SS**  trans-56.7106.3170.3-71.8-179.2177.3-178.50109.9L190L190-K192 PolarHBondContact O-N 3.36Å; L190-K192 VanDerWaalsContact O-N 3.1Å
193N54.5Low50.3Low148 Ų148153.4 Ų153.479%0.79178%0.778SS**  trans-104.382.6161.4-82.3-41.1000108.5A191 K195A191-N193 PolarHBondContact O-N 2.81Å; N193-K195 PolarHBondContact O-N 3.07Å
194D49.1Very low49.5Very low147 Ų147154.3 Ų154.379%0.78678%0.775SS**  trans-69.783.8163-69.5-43.2000108.2
195K50Low48.3Very low191 Ų191150.5 Ų150.583%0.8377%0.772SS**  trans-114105.4160-83.3-165.9177.8-171.90108.6N193 A197N193-K195 PolarHBondContact O-N 3.07Å; K195-A197 PolarHBondContact O-N 3.36Å
196Q45Very low47.1Very low198 Ų198153 Ų15393%0.92577%0.774SS**  trans-42.9110.3170.2-69.7166.6-4400109.8N198Q196-N198 PolarHBondContact O-N 3.33Å; Q196-N198 VanDerWaalsContact O-N 3.16Å
197A42.4Very low46.1Very low97 Ų97151.6 Ų151.680%0.80277%0.774SS**  trans-63.9113.1169.100000107.7K195 Q199K195-A197 PolarHBondContact O-N 3.36Å; A197-Q199 PolarHBondContact O-N 3.15Å
198N44.9Very low45.3Very low137 Ų137151.2 Ų151.273%0.73378%0.777SS**  trans-67.2122.9168.3-169.216.5000107.7Q196 N200Q196-N198 PolarHBondContact O-N 3.33Å; Q196-N198 VanDerWaalsContact O-N 3.16Å; N198-N200 PolarHBondContact O-N 3.35Å
199Q48.2Very low44.3Very low169 Ų169147.7 Ų147.779%0.7978%0.776SS**  trans-66.196.7177.5-70.8170.5-55.500109.2A197A197-Q199 PolarHBondContact O-N 3.15Å
200N42.8Very low43.3Very low127 Ų127149.4 Ų149.468%0.67978%0.779SS**  trans-109.798.4156.3-72-5.9000106.5N198 E202N198-N200 PolarHBondContact O-N 3.35Å; N200-E202 PolarHBondContact O-N 3.26Å
201D42.6Very low42.4Very low147 Ų147146.6 Ų146.679%0.78677%0.772SS**  trans-63.784.6168.2-66-52.5000109Q203D201-Q203 PolarHBondContact O-N 3.24Å
202E44.5Very low41.9Very low155 Ų155149.6 Ų149.672%0.72478%0.776SS**  trans-94.983.5165.6-137.3160.3116.900107.6N200 Q204N200-E202 PolarHBondContact O-N 3.26Å; E202-Q204 PolarHBondContact O-N 2.83Å
203Q36.1Very low41Very low185 Ų185150.2 Ų150.286%0.86478%0.775SS**  trans-65.478.4176.5-158.9161.7-9.800108.7D201 S205D201-Q203 PolarHBondContact O-N 3.24Å; Q203-S205 PolarHBondContact O-N 3.33Å
204Q41.3Very low40.1Very low131 Ų131149.1 Ų149.161%0.61277%0.774SS**  trans-71.799.8173.7-80.7-176-20.200108.5E202 Y206E202-Q204 PolarHBondContact O-N 2.83Å; Q204-Y206 HydrophobicContact CB-CE1 4.36Å; Q204-Y206 WeakPolarHBondContact O-CD2 3.37Å; Q204-Y206 VanDerWaalsContact O-CE2 3.28Å; Q204-Y206 WeakPolarHBondContact O-CE2 3.44Å; Q204-Y206 PolarHBondContact O-N 2.8Å; Q204-Y206 VanDerWaalsContact O-N 3.12Å
205S32.4Very low39.7Very low111 Ų111148.4 Ų148.478%0.77677%0.767SS**  trans-66.6107171.3670000109.2Q203 S207Q203-S205 PolarHBondContact O-N 3.33Å; S205-S207 PolarHBondContact O-N 2.83Å; S205-S207 VanDerWaalsContact O-N 3.17Å
206Y29.1Very low38.9Very low202 Ų202142.2 Ų142.279%0.79276%0.758SS**  trans-72.2104.7167.6-35.6-80.5000107.3Q204 L208Q204-Y206 HydrophobicContact CB-CE1 4.36Å; Q204-Y206 WeakPolarHBondContact O-CD2 3.37Å; Q204-Y206 VanDerWaalsContact O-CE2 3.28Å; Q204-Y206 WeakPolarHBondContact O-CE2 3.44Å; Q204-Y206 PolarHBondContact O-N 2.8Å; Q204-Y206 VanDerWaalsContact O-N 3.12Å; Y206-L208 PolarHBondContact O-N 3.25Å
207S37.2Very low38.4Very low98 Ų98140.4 Ų140.469%0.68575%0.754SS**  trans-70.6114.7167.454.80000107.6S205 V209S205-S207 PolarHBondContact O-N 2.83Å; S205-S207 VanDerWaalsContact O-N 3.17Å; S207-V209 PolarHBondContact O-N 2.04Å
208L39.4Very low38Very low166 Ų166143.2 Ų143.287%0.86975%0.754SS**  trans-55.6109.6169-68.3168.4000108.2Y206 E210Y206-L208 PolarHBondContact O-N 3.25Å; L208-E210 PolarHBondContact O-N 2.02Å; L208-E210 VanDerWaalsContact O-N 3.14Å
209V37.1Very low37.6Very low128 Ų128145.3 Ų145.378%0.77676%0.76SS**  trans-73.9105170.6-169.50000105.4S207 S211S207-V209 PolarHBondContact O-N 2.04Å; V209-S211 PolarHBondContact O-N 3.16Å
210E39.7Very low36.8Very low178 Ų178145.2 Ų145.283%0.83276%0.764SS**  trans-62.881.7165.7-75.2173.814800107.7L208 D212L208-E210 PolarHBondContact O-N 2.02Å; L208-E210 VanDerWaalsContact O-N 3.14Å; E210-D212 PolarHBondContact O-N 2.89Å
211S37.8Very low36.5Very low94 Ų94148 Ų14866%0.65777%0.772SS**  trans-78.399.3165.9160.10000106.4V209 Y213V209-S211 PolarHBondContact O-N 3.16Å; S211-Y213 PolarHBondContact O-N 3.48Å
212D36.3Very low35.9Very low148 Ų148147.5 Ų147.579%0.79178%0.775SS**  trans-49.882.4168.5-69.8-45.4000111.2E210 V214E210-D212 PolarHBondContact O-N 2.89Å; D212-V214 PolarHBondContact O-N 2.84Å; D212-V214 VanDerWaalsContact O-N 3.11Å
213Y30.1Very low35.4Very low197 Ų197144.5 Ų144.577%0.77378%0.777SS**  trans-7996.8166.3-156.1-94.8000106.8S211 M215S211-Y213 PolarHBondContact O-N 3.48Å; Y213-M215 HydrophobicContact CD1-SD 4.49Å; Y213-M215 PolarHBondContact O-N 2.82Å
214V36.1Very low34.9Very low126 Ų126143.3 Ų143.376%0.76478%0.776SS**  trans-58.5102.3173.8178.60000107.8D212 G216D212-V214 PolarHBondContact O-N 2.84Å; D212-V214 VanDerWaalsContact O-N 3.11Å; V214-G216 PolarHBondContact O-N 2.75Å
215M41.4Very low34.3Very low132 Ų132143.1 Ų143.165%0.6578%0.784SS**  trans-63.2100.8175.2-66.5-69.4-75.400108.4Y213 N217Y213-M215 HydrophobicContact CD1-SD 4.49Å; Y213-M215 PolarHBondContact O-N 2.82Å; M215-N217 PolarHBondContact O-N 2.91Å
216G33.5Very low34Very low61 Ų61144.6 Ų144.663%0.62979%0.788SS**  trans-61.6115.1165.900000108.5V214 I218V214-G216 PolarHBondContact O-N 2.75Å; G216-I218 PolarHBondContact O-N 2.04Å
217N34.5Very low34.1Very low160 Ų160139.9 Ų139.986%0.85679%0.785SS**  trans-59.896.7172.7-62.2-18.1000108.7M215M215-N217 PolarHBondContact O-N 2.91Å
218I33.7Very low33.6Very low156 Ų156141.1 Ų141.180%0.879%0.794SS**  trans-104.8108.9165.4-57.6179.8000105.9G216 L220G216-I218 PolarHBondContact O-N 2.04Å; I218-L220 PolarHBondContact O-N 3.05Å
219E35.9Very low33.1Very low181 Ų181136 Ų13685%0.84678%0.78SS**  trans-52.7119.5173-75.9167.6133.400109.2E221E219-E221 VanDerWaalsContact C-N 3.33Å; E219-E221 PolarHBondContact O-N 3.37Å
220L32Very low32.5Very low167 Ų167139.3 Ų139.387%0.87479%0.787SS**  trans-64.290.2172.5-87.4140.7000109I218 T222I218-L220 PolarHBondContact O-N 3.05Å; L220-T222 PolarHBondContact O-N 3.29Å; L220-T222 VanDerWaalsContact O-N 3.16Å
221E36.3Very low32.1Very low185 Ų185140.8 Ų140.886%0.86479%0.791SS**  trans-71.7106.1157.7-74.2-161153.300108.3E219 A223E219-E221 VanDerWaalsContact C-N 3.33Å; E219-E221 PolarHBondContact O-N 3.37Å; E221-A223 PolarHBondContact O-N 3.47Å
222T29.6Very low31.5Very low137 Ų137139.7 Ų139.784%0.8480%0.795SS**  trans-56.497.717245.90000111L220L220-T222 PolarHBondContact O-N 3.29Å; L220-T222 VanDerWaalsContact O-N 3.16Å
223A34.2Very low31Very low92 Ų92138.1 Ų138.176%0.7680%0.796SS**  trans-107.285.7160.900000109.2E221 T225E221-A223 PolarHBondContact O-N 3.47Å; A223-T225 PolarHBondContact O-N 3.47Å; A223-T225 VanDerWaalsContact O-N 3.16Å
224N25.9Very low31Very low160 Ų160134.2 Ų134.286%0.85679%0.794SS**  trans-61.6105.9160-92.5-20.2000108.9
225T27.7Very low30.6Very low127 Ų127138 Ų13878%0.77980%0.8SS**  trans-149102.1148.440.30000109.8A223 S227A223-T225 PolarHBondContact O-N 3.47Å; A223-T225 VanDerWaalsContact O-N 3.16Å; T225-S227 PolarHBondContact O-N 2.98Å
226V26.4Very low30.1Very low142 Ų142139.5 Ų139.586%0.86181%0.806SS**  trans-54.2116.4156.7174.80000107.8
227S30.9Very low29.7Very low103 Ų103141.8 Ų141.872%0.7281%0.812SS**  trans-141.679.4162.4-177.70000109.2T225 G229T225-S227 PolarHBondContact O-N 2.98Å; S227-G229 VanDerWaalsContact C-N 3.34Å; S227-G229 PolarHBondContact O-N 2.86Å
228S26.8Very low29.5Very low124 Ų124139.7 Ų139.787%0.86781%0.805SS**  trans-58100.5150.6-47.40000107.2
229G29.1Very low29.2Very low57 Ų57138 Ų13859%0.58880%0.802SS**  trans-150.8102.9-173.600000111S227S227-G229 VanDerWaalsContact C-N 3.34Å; S227-G229 PolarHBondContact O-N 2.86Å
230Q25.1Very low28.8Very low198 Ų198136.2 Ų136.293%0.92580%0.797SS**  trans-44.4135170.9-66.2156.7-72.900112.3
231K29.8Very low28.8Very low209 Ų209138.8 Ų138.891%0.90980%0.795SS**  trans-151.9121.4146-114.2168.7-172.3-179.60109.7
232G26.6Very low28.6Very low72 Ų72138.3 Ų138.374%0.74279%0.793SS**  trans-64.9165.7-175.300000114
233S25.5Very low28.9Very low115 Ų115139 Ų13980%0.80479%0.791SS**  trans-41126.9172.8-53.60000113.4K235S233-K235 PolarHBondContact O-N 3.18Å
234P30.9Very low28.8Very low115 Ų115140.9 Ų140.975%0.74779%0.793SS**  trans-79.1110.3150.716.3-0.3000107.4E236P234-E236 PolarHBondContact O-N 3.1Å
235K27.5Very low29.3Very low204 Ų204137.8 Ų137.889%0.88779%0.79SS**  trans-67.788.1158.3-79-179.6176.1178.70107.1S233 S237S233-K235 PolarHBondContact O-N 3.18Å; K235-S237 PolarHBondContact O-N 3.47Å
236E29.3Very low29.7Very low165 Ų165136.8 Ų136.877%0.77179%0.788SS**  trans-95.192.9168.6-155.2157.6-154.300108.4P234 V238P234-E236 PolarHBondContact O-N 3.1Å; E236-V238 VanDerWaalsContact C-N 3.29Å; E236-V238 PolarHBondContact O-N 3.1Å
237S26.8Very low30.2Very low108 Ų108137.7 Ų137.776%0.75579%0.788SS**  trans-61.192.4165.45.60000108.2K235 T239K235-S237 PolarHBondContact O-N 3.47Å; S237-T239 PolarHBondContact O-N 2.93Å; S237-T239 VanDerWaalsContact O-N 3.1Å
238V28.7Very low30.5Very low116 Ų116139.2 Ų139.270%0.70379%0.793SS**  trans-75.299172.2179.30000107.8E236 I240E236-V238 VanDerWaalsContact C-N 3.29Å; E236-V238 PolarHBondContact O-N 3.1Å; V238-I240 PolarHBondContact O-N 3.02Å; V238-I240 VanDerWaalsContact O-N 3.1Å
239T27.4Very low31Very low122 Ų122139.1 Ų139.175%0.74879%0.788SS**  trans-64.4105.8166.9-58.80000108.1S237 R241S237-T239 PolarHBondContact O-N 2.93Å; S237-T239 VanDerWaalsContact O-N 3.1Å; T239-R241 PolarHBondContact O-N 3.1Å
240I27.8Very low31.4Very low143 Ų143142.2 Ų142.273%0.73380%0.8SS**  trans-61.5106174.6-58.9-178.8000108V238 Q242V238-I240 PolarHBondContact O-N 3.02Å; V238-I240 VanDerWaalsContact O-N 3.1Å; I240-Q242 PolarHBondContact O-N 3.36Å
241R31.9Very low31.8Very low220 Ų220138.7 Ų138.783%0.8379%0.793SS**  trans-74.7113.7164-75.1-176.5175.9164.80.3107.1T239 D243T239-R241 PolarHBondContact O-N 3.1Å; R241-D243 PolarHBondContact O-N 2.85Å
242Q32.2Very low32.2Very low176 Ų176141.4 Ų141.482%0.82281%0.809SS**  trans-68.795.6169.3-70.1174-39.100107.8I240 T244I240-Q242 PolarHBondContact O-N 3.36Å; Q242-T244 VanDerWaalsContact C-N 3.35Å; Q242-T244 PolarHBondContact O-N 3.05Å
243D35.5Very low32.4Very low152 Ų152144.9 Ų144.981%0.81381%0.812SS**  trans-70.998.9165.1-72-32.8000107.4R241 A245R241-D243 PolarHBondContact O-N 2.85Å; D243-A245 VanDerWaalsContact C-N 3.27Å; D243-A245 PolarHBondContact O-N 3.03Å
244T33.8Very low32.8Very low130 Ų130146.5 Ų146.580%0.79881%0.812SS**  trans-57.791.6164.9290000108.9Q242 S246Q242-T244 VanDerWaalsContact C-N 3.35Å; Q242-T244 PolarHBondContact O-N 3.05Å; T244-S246 PolarHBondContact O-N 3.21Å
245A35Very low32.9Very low96 Ų96148.2 Ų148.279%0.79382%0.816SS**  trans-64.5115.6165.100000108D243D243-A245 VanDerWaalsContact C-N 3.27Å; D243-A245 PolarHBondContact O-N 3.03Å
246S37.8Very low33.2Very low105 Ų105144.9 Ų144.973%0.73481%0.812SS**  trans-67.2131.8-179.1-63.20000110.2T244 T248T244-S246 PolarHBondContact O-N 3.21Å; S246-T248 PolarHBondContact O-N 2.95Å
247N36.5Very low33.5Very low161 Ų161143.7 Ų143.786%0.86181%0.814SS**  trans-59.398.4165.4-85-19.7000109.5T249N247-T249 PolarHBondContact O-N 3.25Å
248T37.2Very low33.9Very low135 Ų135146.1 Ų146.183%0.82882%0.818SS**  trans-78.298.4160.218.10000108.6S246 S250S246-T248 PolarHBondContact O-N 2.95Å; T248-S250 PolarHBondContact O-N 3.2Å
249T37.7Very low34.3Very low122 Ų122148.2 Ų148.275%0.74883%0.827SS**  trans-52.7104.6161.3-50.20000108.5N247 T251N247-T249 PolarHBondContact O-N 3.25Å; T249-T251 PolarHBondContact O-N 3.04Å
250S37.4Very low34.8Very low122 Ų122150.2 Ų150.285%0.85383%0.833SS**  trans-81.297.9173.3-150.70000108T248T248-S250 PolarHBondContact O-N 3.2Å
251T32Very low35.4Very low125 Ų125150.8 Ų150.877%0.76784%0.841SS**  trans-72.8113.3167.7-27.50000108.5T249T249-T251 PolarHBondContact O-N 3.04Å
252Q38Very low35.7Very low266 Ų266144.5 Ų144.5100%1.24384%0.842SS**  trans-173.90141-105.4179.222.300110.2

Retrieved 252 of 252 residues in 194.7 ms (Link to these results)