A0A077ZLV4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 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
1M77.9Confident93.3Very high152 Ų15292 Ų9275%0.74947%0.467SS*.  0122.40-173.2173.4-127.200107.3N52 K54M1-N52 WeakPolarHBondContact CA-O 3.46Å; M1-K54 HydrophobicContact CE-CB 4.11Å; M1-K54 HydrophobicContact CG-CB 3.93Å; M1-K54 HydrophobicContact SD-CB 3.88Å; M1-K54 HydrophobicContact SD-CD 4.27Å
2R91Very high93.2Very high203 Ų20390.8 Ų90.877%0.76647%0.467SS*.EExtended strand (participates in β ladder)trans-94.6132.9176.7-67-179.3179.8-179.40.2108.4L53 K54R2-L53 HydrophobicContact CB-CD2 3.94Å; R2-L53 WeakPolarHBondContact O-CA 3.49Å; R2-K54 PolarHBondContact O-N 3.09Å
3E94.9Very high93.1Very high144 Ų14487.6 Ų87.667%0.67346%0.455SS*.EExtended strand (participates in β ladder)trans-88.2130.4175.7-55.2-162.2147.100109.1K54E3-K54 HydrophobicContact CG-CB 4.32Å; E3-K54 HydrophobicContact CG-CD 4.2Å; E3-K54 WeakPolarHBondContact OE1-CD 3.48Å; E3-K54 IonicContact OE1-NZ 2.76Å; E3-K54 PolarHBondContact OE1-NZ 3.4Å
4V95.7Very high93.2Very high62 Ų6284.7 Ų84.738%0.37644%0.438SS..EExtended strand (participates in β ladder)trans-132.6130.9-179.2-179.70000108.1L53 K54 L55 A56V4-L53 HydrophobicContact CG2-CD1 4.43Å; V4-L53 HydrophobicContact CG2-CD2 4.15Å; V4-K54 PolarHBondContact N-O 3.42Å; V4-L55 HydrophobicContact CB-CD1 4.2Å; V4-L55 HydrophobicContact CG1-CD1 4.03Å; V4-L55 WeakPolarHBondContact O-CA 3.32Å; V4-A56 PolarHBondContact O-N 2.98Å
5E95.4Very high93.1Very high120 Ų12088.5 Ų88.556%0.56144%0.444SS*.EExtended strand (participates in β ladder)trans-109123.5173.6-169.9179.7-164.600109.7L7 A56 T58E5-L7 HydrophobicContact CG-CD2 3.95Å; E5-A56 WeakPolarHBondContact CA-O 3.29Å; E5-T58 PolarHBondContact OE1-OG1 3.36Å
6L94.5Very high93Very high72 Ų7285.9 Ų85.938%0.37743%0.428SS..EExtended strand (participates in β ladder)trans-99.9116.7174.3-178.569.5000109.4L55 A56 V57 T58L6-L55 HydrophobicContact CB-CD1 4.01Å; L6-A56 PolarHBondContact N-O 3.3Å; L6-V57 HydrophobicContact CB-CG1 4.46Å; L6-V57 HydrophobicContact CD2-CG1 4.3Å; L6-V57 CarbonylContact O-C 3.54Å; L6-V57 WeakPolarHBondContact O-CA 3.3Å; L6-T58 PolarHBondContact O-N 3.35Å
7L95.8Very high93Very high86 Ų8681.4 Ų81.445%0.4541%0.405SS..EExtended strand (participates in β ladder)trans-95.2127.5175.6-54178.6000109.4E5 T58 V60E5-L7 HydrophobicContact CG-CD2 3.95Å; L7-T58 HydrophobicContact CD2-CG2 4.29Å; L7-V60 HydrophobicContact CB-CG1 4.22Å; L7-V60 HydrophobicContact CB-CG2 4.37Å; L7-V60 HydrophobicContact CD2-CG1 4.09Å
8T95.7Very high93Very high18 Ų1880.9 Ų80.911%0.1140%0.401CS..EExtended strand (participates in β ladder)trans-137.1145.3175.6-173.20000110.5S10 H14 V57 T58 L59 V60T8-S10 PolarHBondContact OG1-N 3.44Å; T8-H14 HydrophobicContact CG2-CB 3.79Å; T8-V57 HydrophobicContact CG2-CG1 4.13Å; T8-T58 PolarHBondContact N-O 2.83Å; T8-L59 CarbonylContact O-C 3.58Å; T8-L59 VanDerWaalsContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CD1 3.46Å; T8-V60 PolarHBondContact O-N 3.26Å
9D96.2Very high92.9Very high53 Ų5378.2 Ų78.228%0.28339%0.389SS..SBendtrans-97.1-2.2171.565.6-24.4000113.3A11 V60 S62 N65D9-A11 PolarHBondContact O-N 3.21Å; D9-V60 VanDerWaalsContact CA-O 3.25Å; D9-V60 WeakPolarHBondContact CA-O 3.39Å; D9-V60 HydrophobicContact CB-CG2 4.42Å; D9-V60 WeakPolarHBondContact CB-O 3.25Å; D9-S62 WeakPolarHBondContact OD2-CA 3.48Å; D9-S62 VanDerWaalsContact OD2-CB 3.25Å; D9-S62 WeakPolarHBondContact OD2-CB 3.24Å; D9-S62 PolarHBondContact OD2-OG 3.05Å; D9-N65 HydrophobicContact CB-CB 4.17Å; D9-N65 PolarHBondContact OD1-ND2 3.03Å
10S94.4Very high92.8Very high42 Ų4275.2 Ų75.229%0.29438%0.378SS..  trans-90.6105.8175.51780000110.5T8 T12 V13 H14T8-S10 PolarHBondContact OG1-N 3.44Å; S10-T12 PolarHBondContact O-N 2.83Å; S10-V13 PolarHBondContact O-N 2.94Å; S10-V13 VanDerWaalsContact O-N 3.09Å; S10-V13 WeakPolarHBondContact OG-CG2 3.46Å; S10-V13 PolarHBondContact OG-N 3.25Å; S10-H14 WeakPolarHBondContact O-CB 3.5Å; S10-H14 PolarHBondContact O-N 2.82Å
11A94.6Very high92.7Very high60 Ų6074.4 Ų74.450%0.49638%0.375SS..Hα-helixtrans-55.5-35175.400000112.4D9 R15 L59D9-A11 PolarHBondContact O-N 3.21Å; A11-R15 WeakPolarHBondContact O-CB 3.34Å; A11-R15 PolarHBondContact O-N 3.27Å; A11-L59 HydrophobicContact CB-CD1 4.32Å; A11-L59 HydrophobicContact CB-CD2 4.16Å
12T92Very high93.2Very high77 Ų7769.2 Ų69.247%0.47235%0.354SS..Hα-helixtrans-66.9-45.1177.2-55.90000111.7S10 R15 W16S10-T12 PolarHBondContact O-N 2.83Å; T12-R15 PolarHBondContact O-N 3.48Å; T12-W16 HydrophobicContact CG2-CD2 4.06Å; T12-W16 HydrophobicContact CG2-CE3 4.36Å; T12-W16 HydrophobicContact CG2-CH2 3.68Å; T12-W16 HydrophobicContact CG2-CZ2 3.33Å; T12-W16 HydrophobicContact CG2-CZ3 4.19Å; T12-W16 VanDerWaalsContact O-CG 3.3Å; T12-W16 PolarHBondContact O-N 2.92Å
13V92.4Very high92.9Very high50 Ų5062.7 Ų62.730%0.30335%0.349SS..Hα-helixtrans-67.8-44.2178.3173.30000110.5S10 R15 W16 I17S10-V13 PolarHBondContact O-N 2.94Å; S10-V13 VanDerWaalsContact O-N 3.09Å; S10-V13 WeakPolarHBondContact OG-CG2 3.46Å; S10-V13 PolarHBondContact OG-N 3.25Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 2.86Å; V13-W16 HydrophobicContact CG2-CE3 4.38Å; V13-W16 HydrophobicContact CG2-CZ3 4.45Å; V13-W16 PolarHBondContact O-N 3.34Å; V13-W16 VanDerWaalsContact O-N 3.09Å; V13-I17 HydrophobicContact CG1-CG1 4.28Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.45Å
14H94.2Very high91.8Very high47 Ų4764.9 Ų64.922%0.21835%0.351CS..Hα-helixtrans-50.2-53.1173.2176.9-84.2000110.7T8 S10 W16 I17 E18 V57 L59T8-H14 HydrophobicContact CG2-CB 3.79Å; S10-H14 WeakPolarHBondContact O-CB 3.5Å; S10-H14 PolarHBondContact O-N 2.82Å; H14-W16 VanDerWaalsContact C-N 3.34Å; H14-W16 PolarHBondContact O-N 3.44Å; H14-I17 PolarHBondContact O-N 3.43Å; H14-E18 VanDerWaalsContact O-CB 3.22Å; H14-E18 WeakPolarHBondContact O-CB 3.22Å; H14-E18 PolarHBondContact O-N 3.09Å; H14-V57 PolarHBondContact NE2-O 2.97Å; H14-L59 HydrophobicContact CB-CD1 4.31Å; H14-L59 PolarHBondContact CD2-N 3.16Å
15R91.8Very high90.5Very high142 Ų14265.2 Ų65.254%0.53635%0.354SS..Hα-helixtrans-58.8-43178.3-162.9-174.788.5175.22.4112.4A11 T12 V13 D19A11-R15 WeakPolarHBondContact O-CB 3.34Å; A11-R15 PolarHBondContact O-N 3.27Å; T12-R15 PolarHBondContact O-N 3.48Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 2.86Å; R15-D19 IonicContact NE-OD2 3.71Å; R15-D19 VanDerWaalsContact O-CB 3.23Å; R15-D19 WeakPolarHBondContact O-CB 3.48Å; R15-D19 PolarHBondContact O-N 3.09Å
16W91.8Very high89.4Confident47 Ų4769.7 Ų69.718%0.17837%0.366CS..Hα-helixtrans-64.5-41.8-178.7-69.2-19.3000113.5T12 V13 H14 G20 L27 I37 V41T12-W16 HydrophobicContact CG2-CD2 4.06Å; T12-W16 HydrophobicContact CG2-CE3 4.36Å; T12-W16 HydrophobicContact CG2-CH2 3.68Å; T12-W16 HydrophobicContact CG2-CZ2 3.33Å; T12-W16 HydrophobicContact CG2-CZ3 4.19Å; T12-W16 VanDerWaalsContact O-CG 3.3Å; T12-W16 PolarHBondContact O-N 2.92Å; V13-W16 HydrophobicContact CG2-CE3 4.38Å; V13-W16 HydrophobicContact CG2-CZ3 4.45Å; V13-W16 PolarHBondContact O-N 3.34Å; V13-W16 VanDerWaalsContact O-N 3.09Å; H14-W16 VanDerWaalsContact C-N 3.34Å; H14-W16 PolarHBondContact O-N 3.44Å; W16-G20 PolarHBondContact O-N 3.43Å; W16-G20 VanDerWaalsContact O-N 3.09Å; W16-L27 HydrophobicContact CB-CD2 3.65Å; W16-L27 VanDerWaalsContact CD1-CD2 3.46Å; W16-L27 HydrophobicContact CG-CD2 3.7Å; W16-I37 HydrophobicContact CD2-CG2 3.88Å; W16-I37 HydrophobicContact CE3-CG2 3.5Å; W16-I37 HydrophobicContact CH2-CD1 3.58Å; W16-I37 HydrophobicContact CH2-CG1 4.1Å; W16-I37 HydrophobicContact CH2-CG2 3.68Å; W16-I37 HydrophobicContact CZ2-CD1 4.2Å; W16-I37 HydrophobicContact CZ2-CG2 4.02Å; W16-I37 HydrophobicContact CZ3-CB 4.43Å; W16-I37 HydrophobicContact CZ3-CD1 4.16Å; W16-I37 HydrophobicContact CZ3-CG1 4.16Å; W16-I37 HydrophobicContact CZ3-CG2 3.41Å; W16-I37 VanDerWaalsContact CZ3-CG2 3.41Å; W16-V41 HydrophobicContact CB-CG2 4.21Å
17I93.5Very high88.5Confident8 Ų867.2 Ų67.24%0.04135%0.353CS..Hα-helixtrans-72.8-42.6178.3-54.6-59.1000110.2V13 H14 D19 G20 L21 V41 V44 L55 V57V13-I17 HydrophobicContact CG1-CG1 4.28Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.45Å; H14-I17 PolarHBondContact O-N 3.43Å; I17-D19 PolarHBondContact O-N 3.05Å; I17-G20 PolarHBondContact O-N 3.02Å; I17-G20 VanDerWaalsContact O-N 3.16Å; I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.1Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 2.92Å; I17-V41 HydrophobicContact CD1-CB 4.39Å; I17-V41 HydrophobicContact CD1-CG1 3.92Å; I17-V41 HydrophobicContact CD1-CG2 3.97Å; I17-V44 HydrophobicContact CD1-CB 4.4Å; I17-V44 HydrophobicContact CD1-CG1 4.34Å; I17-V44 HydrophobicContact CD1-CG2 4.4Å; I17-L55 HydrophobicContact CG2-CD2 4.32Å; I17-V57 HydrophobicContact CB-CG2 4.05Å; I17-V57 HydrophobicContact CG2-CG2 3.5Å
18E93.2Very high87.3Confident73 Ų7373.7 Ų73.734%0.34137%0.371SS..Hα-helixtrans-59.4-46.3176.6-170.170.3-159.800111.9H14 G20 L21 S22H14-E18 VanDerWaalsContact O-CB 3.22Å; H14-E18 WeakPolarHBondContact O-CB 3.22Å; H14-E18 PolarHBondContact O-N 3.09Å; E18-G20 VanDerWaalsContact C-N 3.3Å; E18-G20 PolarHBondContact O-N 3.35Å; E18-L21 PolarHBondContact O-N 2.9Å; E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.45Å; E18-S22 PolarHBondContact O-N 3.36Å; E18-S22 PolarHBondContact O-OG 3.37Å
19D90.6Very high86.2Confident30 Ų3074.1 Ų74.116%0.1637%0.374CS..Hα-helixtrans-61.9-39.5175.4-74.7-19.4000111.3R15 I17 S22 G23R15-D19 IonicContact NE-OD2 3.71Å; R15-D19 VanDerWaalsContact O-CB 3.23Å; R15-D19 WeakPolarHBondContact O-CB 3.48Å; R15-D19 PolarHBondContact O-N 3.09Å; I17-D19 PolarHBondContact O-N 3.05Å; D19-S22 PolarHBondContact O-OG 3.4Å; D19-G23 PolarHBondContact O-N 3.36Å
20G90.1Very high85.3Confident18 Ų1882 Ų8219%0.18641%0.406CS..Hα-helixtrans-67-45.717800000113.2W16 I17 E18 G23W16-G20 PolarHBondContact O-N 3.43Å; W16-G20 VanDerWaalsContact O-N 3.09Å; I17-G20 PolarHBondContact O-N 3.02Å; I17-G20 VanDerWaalsContact O-N 3.16Å; E18-G20 VanDerWaalsContact C-N 3.3Å; E18-G20 PolarHBondContact O-N 3.35Å; G20-G23 PolarHBondContact O-N 2.91Å
21L91.4Very high84.4Confident59 Ų5982.4 Ų82.431%0.30941%0.411SS..Hα-helixtrans-69.3-39.8179.1-71.6173.7000112I17 E18 G23 L45 V48 L55 V57I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.1Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 2.92Å; E18-L21 PolarHBondContact O-N 2.9Å; L21-G23 PolarHBondContact O-N 2.76Å; L21-L45 HydrophobicContact CD2-CD2 3.66Å; L21-L45 HydrophobicContact CG-CD2 4.05Å; L21-V48 HydrophobicContact CD2-CG1 4.3Å; L21-V48 HydrophobicContact CD2-CG2 4.42Å; L21-L55 HydrophobicContact CD1-CB 4.31Å; L21-L55 HydrophobicContact CD1-CD2 4.06Å; L21-L55 HydrophobicContact CD1-CG 4.12Å; L21-L55 HydrophobicContact CD2-CB 4.46Å; L21-L55 HydrophobicContact CD2-CD2 4.33Å; L21-V57 HydrophobicContact CD1-CG2 3.92Å
22S88.6Confident83.6Confident43 Ų4384.7 Ų84.730%0.30143%0.43SS..Hα-helixtrans-73-13.8179.4650000113.4E18 D19 R24E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.45Å; E18-S22 PolarHBondContact O-N 3.36Å; E18-S22 PolarHBondContact O-OG 3.37Å; D19-S22 PolarHBondContact O-OG 3.4Å; S22-R24 PolarHBondContact O-N 2.84Å; S22-R24 WeakPolarHBondContact OG-CG 3.3Å
23G84.2Confident83.2Confident65 Ų6586.1 Ų86.167%0.6744%0.435SS*.  trans64.55.3-176.200000114.2D19 G20 L21 T25D19-G23 PolarHBondContact O-N 3.36Å; G20-G23 PolarHBondContact O-N 2.91Å; L21-G23 PolarHBondContact O-N 2.76Å; G23-T25 PolarHBondContact O-N 3.49Å
24R72.2Confident82.9Confident190 Ų19083.8 Ų83.872%0.71742%0.421SS*.SBendtrans-69.6-32.9-171.8-69.2179.1-163.1146.95.7112.5S22S22-R24 PolarHBondContact O-N 2.84Å; S22-R24 WeakPolarHBondContact OG-CG 3.3Å
25T67Low82.6Confident70 Ų7088.9 Ų88.943%0.42945%0.447SS..  trans-146.1125-172.9-49.60000111.4G23 L27G23-T25 PolarHBondContact O-N 3.49Å; T25-L27 PolarHBondContact O-N 2.7Å
26R72.5Confident82.5Confident213 Ų21386.7 Ų86.780%0.80445%0.445SS*.  trans-61.2123.4164.1-173.4177.3-179-164.60.8108.6R28R26-R28 PolarHBondContact O-N 3.25Å
27L75.9Confident82.4Confident20 Ų2086 Ų8611%0.10545%0.445CS..  trans-49.3106.3-177.3-75.1166.1000113.3W16 T25 R38 V41W16-L27 HydrophobicContact CB-CD2 3.65Å; W16-L27 VanDerWaalsContact CD1-CD2 3.46Å; W16-L27 HydrophobicContact CG-CD2 3.7Å; T25-L27 PolarHBondContact O-N 2.7Å; L27-R38 HydrophobicContact CB-CG 4.04Å; L27-R38 PolarHBondContact O-NH1 2.81Å; L27-R38 VanDerWaalsContact O-NH1 3.1Å; L27-V41 HydrophobicContact CD1-CB 3.48Å; L27-V41 VanDerWaalsContact CD1-CB 3.48Å; L27-V41 HydrophobicContact CD1-CG1 3.58Å; L27-V41 HydrophobicContact CD1-CG2 3.65Å
28R70.8Confident82.2Confident223 Ų22389.2 Ų89.284%0.84246%0.456SS*.  trans-9898.6172.5-72.2-175.3171.1-168.1-2.7109.3R26R26-R28 PolarHBondContact O-N 3.25Å
29T72.3Confident82.1Confident26 Ų2690.6 Ų90.616%0.1647%0.465CS..  trans-117136.1170175.60000110.2A31 G34 I37T29-A31 WeakPolarHBondContact OG1-CB 3.47Å; T29-A31 PolarHBondContact OG1-N 3.1Å; T29-G34 VanDerWaalsContact CG2-CA 3.49Å; T29-I37 HydrophobicContact CG2-CB 4.48Å
30K77.4Confident82.2Confident220 Ų22098 Ų9896%0.95749%0.491SS*.  trans-94.56.2174.9-66.9-173.5177.4-178.10112.7
31A76.8Confident82.3Confident50 Ų5097.5 Ų97.541%0.41348%0.484SS..SBendtrans-63.5146.6178.900000110.8T29 N33 G34 I37T29-A31 WeakPolarHBondContact OG1-CB 3.47Å; T29-A31 PolarHBondContact OG1-N 3.1Å; A31-N33 PolarHBondContact O-N 3.21Å; A31-N33 VanDerWaalsContact O-N 3.15Å; A31-G34 WeakPolarHBondContact O-CA 3.41Å; A31-G34 PolarHBondContact O-N 2.95Å; A31-I37 HydrophobicContact CB-CD1 4.11Å
32A77.8Confident82.4Confident108 Ų10899.7 Ų99.789%0.89349%0.493SS*.THydrogen-bonded Turntrans-52.4-37.7175.500000111.8G34A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 3.01Å
33N82.1Confident82.7Confident107 Ų107101 Ų10157%0.57250%0.5SS*.THydrogen-bonded Turntrans-9524.2177-62.9-18.1000113.1A31 M35 L36 I37A31-N33 PolarHBondContact O-N 3.21Å; A31-N33 VanDerWaalsContact O-N 3.15Å; N33-M35 PolarHBondContact O-N 3.31Å; N33-L36 HydrophobicContact CB-CD1 4.25Å; N33-L36 WeakPolarHBondContact O-CB 3.44Å; N33-L36 PolarHBondContact O-N 3.34Å; N33-I37 PolarHBondContact O-N 3.2Å
34G85.9Confident83.2Confident1 Ų1100.1 Ų100.11%0.0148%0.481CS..Hα-helixtrans-60.6-30.1-17300000114.3T29 A31 A32 R38T29-G34 VanDerWaalsContact CG2-CA 3.49Å; A31-G34 WeakPolarHBondContact O-CA 3.41Å; A31-G34 PolarHBondContact O-N 2.95Å; A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 3.01Å; G34-R38 PolarHBondContact O-N 3.09Å; G34-R38 VanDerWaalsContact O-N 3.14Å
35M87.9Confident84.2Confident154 Ų15493.6 Ų93.676%0.75946%0.46SS*.Hα-helixtrans-65.2-42.2173.6-171-179.8-71.300111.9N33 I37 R38 L39N33-M35 PolarHBondContact O-N 3.31Å; M35-I37 VanDerWaalsContact C-N 3.34Å; M35-I37 PolarHBondContact O-N 2.87Å; M35-R38 PolarHBondContact O-N 3.27Å; M35-L39 PolarHBondContact O-N 3.14Å
36L91Very high85.6Confident96 Ų9693.5 Ų93.550%0.50346%0.462SS..Hα-helixtrans-65.4-38.2177.7-65.1176.5000111.9N33 L39 R40N33-L36 HydrophobicContact CB-CD1 4.25Å; N33-L36 WeakPolarHBondContact O-CB 3.44Å; N33-L36 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 3.12Å; L36-R40 VanDerWaalsContact O-CG 3.32Å; L36-R40 WeakPolarHBondContact O-CG 3.37Å; L36-R40 PolarHBondContact O-N 3.14Å
37I89.2Confident86.7Confident33 Ų3386.7 Ų86.717%0.16944%0.441CS..Hα-helixtrans-62.5-46.1176.1-67.3161000110.3W16 T29 A31 N33 M35 L39 R40 V41W16-I37 HydrophobicContact CD2-CG2 3.88Å; W16-I37 HydrophobicContact CE3-CG2 3.5Å; W16-I37 HydrophobicContact CH2-CD1 3.58Å; W16-I37 HydrophobicContact CH2-CG1 4.1Å; W16-I37 HydrophobicContact CH2-CG2 3.68Å; W16-I37 HydrophobicContact CZ2-CD1 4.2Å; W16-I37 HydrophobicContact CZ2-CG2 4.02Å; W16-I37 HydrophobicContact CZ3-CB 4.43Å; W16-I37 HydrophobicContact CZ3-CD1 4.16Å; W16-I37 HydrophobicContact CZ3-CG1 4.16Å; W16-I37 HydrophobicContact CZ3-CG2 3.41Å; W16-I37 VanDerWaalsContact CZ3-CG2 3.41Å; T29-I37 HydrophobicContact CG2-CB 4.48Å; A31-I37 HydrophobicContact CB-CD1 4.11Å; N33-I37 PolarHBondContact O-N 3.2Å; M35-I37 VanDerWaalsContact C-N 3.34Å; M35-I37 PolarHBondContact O-N 2.87Å; I37-L39 PolarHBondContact O-N 3.36Å; I37-R40 PolarHBondContact O-N 3.48Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 2.88Å; I37-V41 VanDerWaalsContact O-N 3.08Å
38R89.1Confident87.6Confident75 Ų7586.9 Ų86.928%0.28344%0.443SS..Hα-helixtrans-58.4-48.2176.9-78.2-175.5-87.4-101.5-0.2111.8L27 G34 M35 R40 V41 E42L27-R38 HydrophobicContact CB-CG 4.04Å; L27-R38 PolarHBondContact O-NH1 2.81Å; L27-R38 VanDerWaalsContact O-NH1 3.1Å; G34-R38 PolarHBondContact O-N 3.09Å; G34-R38 VanDerWaalsContact O-N 3.14Å; M35-R38 PolarHBondContact O-N 3.27Å; R38-R40 VanDerWaalsContact C-N 3.32Å; R38-R40 PolarHBondContact O-N 2.81Å; R38-V41 PolarHBondContact O-N 2.94Å; R38-E42 WeakPolarHBondContact O-CG 3.49Å; R38-E42 PolarHBondContact O-N 3.05Å
39L91.4Very high88.7Confident101 Ų10185 Ų8553%0.52944%0.441SS..Hα-helixtrans-57.9-44.7178.2-17566.6000111.8M35 L36 I37 V41 E42 T43M35-L39 PolarHBondContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 3.12Å; I37-L39 PolarHBondContact O-N 3.36Å; L39-V41 PolarHBondContact O-N 2.99Å; L39-E42 PolarHBondContact O-N 3.15Å; L39-T43 PolarHBondContact O-N 2.82Å; L39-T43 PolarHBondContact O-OG1 3.2Å
40R93.6Very high89.9Confident186 Ų18690.2 Ų90.270%0.70246%0.464SS*.Hα-helixtrans-63.1-40.2178.9-73.2176.8-179.1-144.80.2112.7L36 I37 R38 T43 V44L36-R40 VanDerWaalsContact O-CG 3.32Å; L36-R40 WeakPolarHBondContact O-CG 3.37Å; L36-R40 PolarHBondContact O-N 3.14Å; I37-R40 PolarHBondContact O-N 3.48Å; R38-R40 VanDerWaalsContact C-N 3.32Å; R38-R40 PolarHBondContact O-N 2.81Å; R40-T43 WeakPolarHBondContact O-CB 3.48Å; R40-T43 PolarHBondContact O-N 2.9Å; R40-V44 PolarHBondContact O-N 3.47Å
41V92.1Very high90.8Very high8 Ų886.7 Ų86.75%0.04845%0.445CS..Hα-helixtrans-69.9-40.5176.3179.80000110.9W16 I17 L27 I37 R38 L39 T43 V44 L45W16-V41 HydrophobicContact CB-CG2 4.21Å; I17-V41 HydrophobicContact CD1-CB 4.39Å; I17-V41 HydrophobicContact CD1-CG1 3.92Å; I17-V41 HydrophobicContact CD1-CG2 3.97Å; L27-V41 HydrophobicContact CD1-CB 3.48Å; L27-V41 VanDerWaalsContact CD1-CB 3.48Å; L27-V41 HydrophobicContact CD1-CG1 3.58Å; L27-V41 HydrophobicContact CD1-CG2 3.65Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 2.88Å; I37-V41 VanDerWaalsContact O-N 3.08Å; R38-V41 PolarHBondContact O-N 2.94Å; L39-V41 PolarHBondContact O-N 2.99Å; V41-T43 VanDerWaalsContact C-N 3.26Å; V41-T43 PolarHBondContact O-N 3.22Å; V41-V44 WeakPolarHBondContact O-CB 3.44Å; V41-V44 PolarHBondContact O-N 3.04Å; V41-V44 VanDerWaalsContact O-N 3.08Å; V41-L45 HydrophobicContact CG1-CD1 4.28Å; V41-L45 HydrophobicContact CG1-CG 4.3Å; V41-L45 WeakPolarHBondContact O-CG 3.25Å; V41-L45 PolarHBondContact O-N 3.44Å
42E93.1Very high91.6Very high104 Ų10489 Ų8949%0.48645%0.451SS..Hα-helixtrans-58.5-38.5174.5-75.6171.4-172.200111.9R38 L39 L45 S46R38-E42 WeakPolarHBondContact O-CG 3.49Å; R38-E42 PolarHBondContact O-N 3.05Å; L39-E42 PolarHBondContact O-N 3.15Å; E42-L45 PolarHBondContact O-N 3.48Å; E42-S46 WeakPolarHBondContact O-CB 3.42Å; E42-S46 PolarHBondContact O-N 3.38Å; E42-S46 PolarHBondContact O-OG 3.36Å
43T95.4Very high92.4Very high72 Ų7285.7 Ų85.744%0.44242%0.418SS..Hα-helixtrans-58.6-49.2171.9-540000111.4L39 R40 V41 L45 S46 L47L39-T43 PolarHBondContact O-N 2.82Å; L39-T43 PolarHBondContact O-OG1 3.2Å; R40-T43 WeakPolarHBondContact O-CB 3.48Å; R40-T43 PolarHBondContact O-N 2.9Å; V41-T43 VanDerWaalsContact C-N 3.26Å; V41-T43 PolarHBondContact O-N 3.22Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 2.94Å; T43-S46 WeakPolarHBondContact O-CB 3.43Å; T43-S46 PolarHBondContact O-N 2.74Å; T43-L47 HydrophobicContact CG2-CD1 4.16Å; T43-L47 HydrophobicContact CG2-CG 4.47Å; T43-L47 VanDerWaalsContact O-CG 3.29Å; T43-L47 WeakPolarHBondContact O-CG 3.49Å; T43-L47 PolarHBondContact O-N 3.3Å
44V94Very high93Very high46 Ų4686 Ų8628%0.27941%0.414SS..Hα-helixtrans-57.9-46.5177.9176.40000111.1I17 R40 V41 S46 L47 V48 L55I17-V44 HydrophobicContact CD1-CB 4.4Å; I17-V44 HydrophobicContact CD1-CG1 4.34Å; I17-V44 HydrophobicContact CD1-CG2 4.4Å; R40-V44 PolarHBondContact O-N 3.47Å; V41-V44 WeakPolarHBondContact O-CB 3.44Å; V41-V44 PolarHBondContact O-N 3.04Å; V41-V44 VanDerWaalsContact O-N 3.08Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 2.87Å; V44-L47 PolarHBondContact O-N 3.47Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 3.04Å; V44-L55 HydrophobicContact CG1-CD2 4.03Å
45L93.7Very high93.5Very high52 Ų5287.4 Ų87.427%0.27242%0.421SS..Hα-helixtrans-63.6-37.2178.6-62.2178.2000112.5L21 V41 E42 T43 V48 K49L21-L45 HydrophobicContact CD2-CD2 3.66Å; L21-L45 HydrophobicContact CG-CD2 4.05Å; V41-L45 HydrophobicContact CG1-CD1 4.28Å; V41-L45 HydrophobicContact CG1-CG 4.3Å; V41-L45 WeakPolarHBondContact O-CG 3.25Å; V41-L45 PolarHBondContact O-N 3.44Å; E42-L45 PolarHBondContact O-N 3.48Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 2.94Å; L45-V48 PolarHBondContact O-N 3.27Å; L45-K49 PolarHBondContact O-N 3.45Å; L45-K49 VanDerWaalsContact O-N 3.09Å
46S95.3Very high93.9Very high68 Ų6882.5 Ų82.548%0.47641%0.405SS..Hα-helixtrans-64.9-44177.2-58.10000110.9E42 T43 V44 K49 E50E42-S46 WeakPolarHBondContact O-CB 3.42Å; E42-S46 PolarHBondContact O-N 3.38Å; E42-S46 PolarHBondContact O-OG 3.36Å; T43-S46 WeakPolarHBondContact O-CB 3.43Å; T43-S46 PolarHBondContact O-N 2.74Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 2.87Å; S46-K49 PolarHBondContact O-N 3.34Å; S46-E50 VanDerWaalsContact O-CB 3.3Å; S46-E50 WeakPolarHBondContact O-CB 3.46Å; S46-E50 PolarHBondContact O-N 2.97Å
47L96.1Very high94.1Very high70 Ų7078.6 Ų78.637%0.36639%0.385SS..Hα-helixtrans-64.2-42176-63.7169.6000111.9T43 V44 K49 E50 Y51T43-L47 HydrophobicContact CG2-CD1 4.16Å; T43-L47 HydrophobicContact CG2-CG 4.47Å; T43-L47 VanDerWaalsContact O-CG 3.29Å; T43-L47 WeakPolarHBondContact O-CG 3.49Å; T43-L47 PolarHBondContact O-N 3.3Å; V44-L47 PolarHBondContact O-N 3.47Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.44Å; L47-E50 PolarHBondContact O-N 3.08Å; L47-Y51 HydrophobicContact CB-CD2 4.24Å; L47-Y51 HydrophobicContact CB-CE2 4.49Å; L47-Y51 HydrophobicContact CD2-CD2 4.29Å; L47-Y51 HydrophobicContact CD2-CE2 3.7Å; L47-Y51 WeakPolarHBondContact O-CB 3.4Å; L47-Y51 VanDerWaalsContact O-CD2 3.3Å; L47-Y51 WeakPolarHBondContact O-CD2 3.39Å; L47-Y51 PolarHBondContact O-N 3.22Å
48V94.7Very high94.4Very high24 Ų2479.4 Ų79.415%0.14539%0.392CS..Hα-helixtrans-57.4-43.2175.7170.20000110.9L21 V44 L45 N52 L53 L55L21-V48 HydrophobicContact CD2-CG1 4.3Å; L21-V48 HydrophobicContact CD2-CG2 4.42Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 3.04Å; L45-V48 PolarHBondContact O-N 3.27Å; V48-N52 WeakPolarHBondContact O-CA 3.36Å; V48-N52 PolarHBondContact O-N 3.29Å; V48-L53 HydrophobicContact CG1-CB 4.41Å; V48-L53 WeakPolarHBondContact CG1-O 3.5Å; V48-L53 PolarHBondContact O-N 3.08Å; V48-L55 HydrophobicContact CG1-CB 4.4Å; V48-L55 HydrophobicContact CG2-CB 3.83Å; V48-L55 HydrophobicContact CG2-CD2 3.54Å; V48-L55 HydrophobicContact CG2-CG 4.3Å
49K94.3Very high94.8Very high183 Ų18379.9 Ų79.980%0.79640%0.4SS*.Hα-helixtrans-69.1-47.8177.4-175.2-179.7178.2-177.10112.3L45 S46 L47 N52L45-K49 PolarHBondContact O-N 3.45Å; L45-K49 VanDerWaalsContact O-N 3.09Å; S46-K49 PolarHBondContact O-N 3.34Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.44Å; K49-N52 PolarHBondContact O-N 3.25Å
50E96.3Very high95.1Very high137 Ų13776.1 Ų76.164%0.6438%0.381SS*.Hα-helixtrans-62.5-46.4-176.5-175.517916600111.9S46 L47 N52S46-E50 VanDerWaalsContact O-CB 3.3Å; S46-E50 WeakPolarHBondContact O-CB 3.46Å; S46-E50 PolarHBondContact O-N 2.97Å; L47-E50 PolarHBondContact O-N 3.08Å; E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 3.42Å
51Y96Very high95.3Very high145 Ų14576.9 Ų76.957%0.56938%0.384SS*.THydrogen-bonded Turntrans-87.94.3-179.6-66-69.9000113.8L47 L53L47-Y51 HydrophobicContact CB-CD2 4.24Å; L47-Y51 HydrophobicContact CB-CE2 4.49Å; L47-Y51 HydrophobicContact CD2-CD2 4.29Å; L47-Y51 HydrophobicContact CD2-CE2 3.7Å; L47-Y51 WeakPolarHBondContact O-CB 3.4Å; L47-Y51 VanDerWaalsContact O-CD2 3.3Å; L47-Y51 WeakPolarHBondContact O-CD2 3.39Å; L47-Y51 PolarHBondContact O-N 3.22Å; Y51-L53 VanDerWaalsContact C-N 3.31Å; Y51-L53 PolarHBondContact O-N 3.18Å
52N94.4Very high95.3Very high98 Ų9880 Ų8052%0.52441%0.406SS..THydrogen-bonded Turntrans47.952.9-177.6-169.622.7000112.2M1 V48 K49 E50M1-N52 WeakPolarHBondContact CA-O 3.46Å; V48-N52 WeakPolarHBondContact O-CA 3.36Å; V48-N52 PolarHBondContact O-N 3.29Å; K49-N52 PolarHBondContact O-N 3.25Å; E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 3.42Å
53L95.3Very high95.3Very high39 Ų3980.2 Ų80.220%0.20443%0.425CS..EExtended strand (participates in β ladder)trans-90143.8-178.2-55177.5000110.5R2 V4 V48 Y51R2-L53 HydrophobicContact CB-CD2 3.94Å; R2-L53 WeakPolarHBondContact O-CA 3.49Å; V4-L53 HydrophobicContact CG2-CD1 4.43Å; V4-L53 HydrophobicContact CG2-CD2 4.15Å; V48-L53 HydrophobicContact CG1-CB 4.41Å; V48-L53 WeakPolarHBondContact CG1-O 3.5Å; V48-L53 PolarHBondContact O-N 3.08Å; Y51-L53 VanDerWaalsContact C-N 3.31Å; Y51-L53 PolarHBondContact O-N 3.18Å
54K95.2Very high95.2Very high114 Ų11482.6 Ų82.650%0.49643%0.433SS..EExtended strand (participates in β ladder)trans-97.594.5161.9-175.7176.5166.7-161.30107.4M1 R2 E3 V4M1-K54 HydrophobicContact CE-CB 4.11Å; M1-K54 HydrophobicContact CG-CB 3.93Å; M1-K54 HydrophobicContact SD-CB 3.88Å; M1-K54 HydrophobicContact SD-CD 4.27Å; R2-K54 PolarHBondContact O-N 3.09Å; E3-K54 HydrophobicContact CG-CB 4.32Å; E3-K54 HydrophobicContact CG-CD 4.2Å; E3-K54 WeakPolarHBondContact OE1-CD 3.48Å; E3-K54 IonicContact OE1-NZ 2.76Å; E3-K54 PolarHBondContact OE1-NZ 3.4Å; V4-K54 PolarHBondContact N-O 3.42Å
55L95.4Very high95.2Very high30 Ų3081.8 Ų81.816%0.15743%0.427CS..EExtended strand (participates in β ladder)trans-88.6124.4-178.6-17763.4000110.4V4 L6 I17 L21 V44 V48 V57V4-L55 HydrophobicContact CB-CD1 4.2Å; V4-L55 HydrophobicContact CG1-CD1 4.03Å; V4-L55 WeakPolarHBondContact O-CA 3.32Å; L6-L55 HydrophobicContact CB-CD1 4.01Å; I17-L55 HydrophobicContact CG2-CD2 4.32Å; L21-L55 HydrophobicContact CD1-CB 4.31Å; L21-L55 HydrophobicContact CD1-CD2 4.06Å; L21-L55 HydrophobicContact CD1-CG 4.12Å; L21-L55 HydrophobicContact CD2-CB 4.46Å; L21-L55 HydrophobicContact CD2-CD2 4.33Å; V44-L55 HydrophobicContact CG1-CD2 4.03Å; V48-L55 HydrophobicContact CG1-CB 4.4Å; V48-L55 HydrophobicContact CG2-CB 3.83Å; V48-L55 HydrophobicContact CG2-CD2 3.54Å; V48-L55 HydrophobicContact CG2-CG 4.3Å; L55-V57 HydrophobicContact CG-CG2 4.48Å
56A95.4Very high95.1Very high52 Ų5288 Ų8843%0.4345%0.452SS..EExtended strand (participates in β ladder)trans-109.1147.1165.300000109.5V4 E5 L6V4-A56 PolarHBondContact O-N 2.98Å; E5-A56 WeakPolarHBondContact CA-O 3.29Å; L6-A56 PolarHBondContact N-O 3.3Å
57V95.4Very high95Very high13 Ų1387 Ų878%0.07945%0.448CS..EExtended strand (participates in β ladder)trans-122.5128.1177.3-164.70000108.8L6 T8 H14 I17 L21 L55L6-V57 HydrophobicContact CB-CG1 4.46Å; L6-V57 HydrophobicContact CD2-CG1 4.3Å; L6-V57 CarbonylContact O-C 3.54Å; L6-V57 WeakPolarHBondContact O-CA 3.3Å; T8-V57 HydrophobicContact CG2-CG1 4.13Å; H14-V57 PolarHBondContact NE2-O 2.97Å; I17-V57 HydrophobicContact CB-CG2 4.05Å; I17-V57 HydrophobicContact CG2-CG2 3.5Å; L21-V57 HydrophobicContact CD1-CG2 3.92Å; L55-V57 HydrophobicContact CG-CG2 4.48Å
58T96.9Very high94.7Very high51 Ų5186.1 Ų86.131%0.31344%0.443SS..EExtended strand (participates in β ladder)trans-123.2126-177.2-54.90000109.6E5 L6 L7 T8 V60E5-T58 PolarHBondContact OE1-OG1 3.36Å; L6-T58 PolarHBondContact O-N 3.35Å; L7-T58 HydrophobicContact CD2-CG2 4.29Å; T8-T58 PolarHBondContact N-O 2.83Å; T58-V60 HydrophobicContact CG2-CG1 4.42Å; T58-V60 PolarHBondContact O-N 2.94Å
59L97.7Very high94.3Very high85 Ų8588.5 Ų88.545%0.44547%0.466SS..EExtended strand (participates in β ladder)trans-77.1119.1173.2-175.562.8000110T8 A11 H14T8-L59 CarbonylContact O-C 3.58Å; T8-L59 VanDerWaalsContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CD1 3.46Å; A11-L59 HydrophobicContact CB-CD1 4.32Å; A11-L59 HydrophobicContact CB-CD2 4.16Å; H14-L59 HydrophobicContact CB-CD1 4.31Å; H14-L59 PolarHBondContact CD2-N 3.16Å
60V97.1Very high94Very high21 Ų2187.2 Ų87.213%0.12747%0.467CS..  trans-113159.3178.2-62.10000111.2L7 T8 D9 T58 M64 N65L7-V60 HydrophobicContact CB-CG1 4.22Å; L7-V60 HydrophobicContact CB-CG2 4.37Å; L7-V60 HydrophobicContact CD2-CG1 4.09Å; T8-V60 PolarHBondContact O-N 3.26Å; D9-V60 VanDerWaalsContact CA-O 3.25Å; D9-V60 WeakPolarHBondContact CA-O 3.39Å; D9-V60 HydrophobicContact CB-CG2 4.42Å; D9-V60 WeakPolarHBondContact CB-O 3.25Å; T58-V60 HydrophobicContact CG2-CG1 4.42Å; T58-V60 PolarHBondContact O-N 2.94Å; V60-M64 HydrophobicContact CB-CB 4.37Å; V60-N65 HydrophobicContact CG2-CB 4.49Å
61R96.6Very high93.6Very high203 Ų20385.8 Ų85.877%0.76647%0.467SS*.  trans-68146.1170.4-63.6-178.2-1761701.9109.2A63 M64 N65R61-A63 PolarHBondContact O-N 3.31Å; R61-A63 VanDerWaalsContact O-N 3.12Å; R61-M64 WeakPolarHBondContact O-CA 3.37Å; R61-M64 WeakPolarHBondContact O-CB 3.3Å; R61-M64 PolarHBondContact O-N 2.75Å; R61-N65 PolarHBondContact O-N 3.46Å
62S93.5Very high93.2Very high74 Ų7486.6 Ų86.652%0.51747%0.469SS..G310 helixtrans-54.3-35.3178.5-61.60000113.7D9 M64 N65D9-S62 WeakPolarHBondContact OD2-CA 3.48Å; D9-S62 VanDerWaalsContact OD2-CB 3.25Å; D9-S62 WeakPolarHBondContact OD2-CB 3.24Å; D9-S62 PolarHBondContact OD2-OG 3.05Å; S62-M64 PolarHBondContact O-N 3.11Å; S62-M64 VanDerWaalsContact O-N 3.14Å; S62-N65 WeakPolarHBondContact O-CB 3.26Å; S62-N65 PolarHBondContact O-N 3.07Å
63A92.4Very high92.8Very high107 Ų10785.6 Ų85.688%0.88447%0.467SS*.G310 helixtrans-62.5-19.3174.900000114.2R61R61-A63 PolarHBondContact O-N 3.31Å; R61-A63 VanDerWaalsContact O-N 3.12Å
64M93.7Very high92.4Very high122 Ų12286.3 Ų86.360%0.60147%0.473SS*.G310 helixtrans-100.9-4.3177.1-65.3177.150.600112.9V60 R61 S62 K66V60-M64 HydrophobicContact CB-CB 4.37Å; R61-M64 WeakPolarHBondContact O-CA 3.37Å; R61-M64 WeakPolarHBondContact O-CB 3.3Å; R61-M64 PolarHBondContact O-N 2.75Å; S62-M64 PolarHBondContact O-N 3.11Å; S62-M64 VanDerWaalsContact O-N 3.14Å; M64-K66 PolarHBondContact O-N 3.03Å
65N93.4Very high91.9Very high30 Ų3086.4 Ų86.416%0.1648%0.484CS..  trans-74.692.9178.1-177.45.8000110.1D9 V60 R61 S62 A67 D68D9-N65 HydrophobicContact CB-CB 4.17Å; D9-N65 PolarHBondContact OD1-ND2 3.03Å; V60-N65 HydrophobicContact CG2-CB 4.49Å; R61-N65 PolarHBondContact O-N 3.46Å; S62-N65 WeakPolarHBondContact O-CB 3.26Å; S62-N65 PolarHBondContact O-N 3.07Å; N65-A67 PolarHBondContact O-N 3.15Å; N65-A67 VanDerWaalsContact O-N 3.15Å; N65-A67 VanDerWaalsContact OD1-CB 3.3Å; N65-A67 WeakPolarHBondContact OD1-CB 3.32Å; N65-A67 PolarHBondContact OD1-N 3.02Å; N65-A67 VanDerWaalsContact OD1-N 3.11Å; N65-D68 HydrophobicContact CB-CB 4.47Å; N65-D68 VanDerWaalsContact O-CB 3.26Å; N65-D68 WeakPolarHBondContact O-CB 3.43Å; N65-D68 PolarHBondContact O-N 3.05Å; N65-D68 VanDerWaalsContact O-N 3.07Å
66K91.6Very high91.5Very high183 Ų18392.7 Ų92.780%0.79651%0.51SS*.Hα-helixtrans-59.5-25.4179.1-64.3-178.2-178.8177.10113.2M64 D68M64-K66 PolarHBondContact O-N 3.03Å; K66-D68 PolarHBondContact O-N 3.2Å
67A92.7Very high91Very high47 Ų4799 Ų9939%0.38852%0.523SS..Hα-helixtrans-68-28178.900000111.9N65 A69 L70 T71N65-A67 PolarHBondContact O-N 3.15Å; N65-A67 VanDerWaalsContact O-N 3.15Å; N65-A67 VanDerWaalsContact OD1-CB 3.3Å; N65-A67 WeakPolarHBondContact OD1-CB 3.32Å; N65-A67 PolarHBondContact OD1-N 3.02Å; N65-A67 VanDerWaalsContact OD1-N 3.11Å; A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 2.72Å; A67-L70 CarbonylContact O-C 3.59Å; A67-L70 WeakPolarHBondContact O-CA 3.41Å; A67-L70 WeakPolarHBondContact O-CB 3.4Å; A67-L70 PolarHBondContact O-N 3.21Å; A67-T71 WeakPolarHBondContact O-CG2 3.31Å; A67-T71 PolarHBondContact O-N 3.04Å; A67-T71 PolarHBondContact O-OG1 3.34Å
68D89.9Confident90.4Very high51 Ų51104.1 Ų104.127%0.27355%0.549SS..Hα-helixtrans-56.7-46.1179.6-179.562.6000111.2N65 K66 L70 T71 R72N65-D68 HydrophobicContact CB-CB 4.47Å; N65-D68 VanDerWaalsContact O-CB 3.26Å; N65-D68 WeakPolarHBondContact O-CB 3.43Å; N65-D68 PolarHBondContact O-N 3.05Å; N65-D68 VanDerWaalsContact O-N 3.07Å; K66-D68 PolarHBondContact O-N 3.2Å; D68-L70 PolarHBondContact O-N 2.96Å; D68-T71 WeakPolarHBondContact CA-OG1 3.45Å; D68-T71 PolarHBondContact O-N 2.67Å; D68-T71 VanDerWaalsContact O-N 3.07Å; D68-T71 PolarHBondContact O-OG1 2.99Å; D68-R72 VanDerWaalsContact O-CG 3.31Å; D68-R72 WeakPolarHBondContact O-CG 3.49Å; D68-R72 PolarHBondContact O-N 3.41Å; D68-R72 IonicContact OD1-CZ 3.74Å; D68-R72 IonicContact OD1-NE 3.65Å; D68-R72 IonicContact OD1-NH2 3.41Å; D68-R72 PolarHBondContact OD1-NH2 3.42Å; D68-R72 IonicContact OD2-CZ 3.08Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.07Å; D68-R72 IonicContact OD2-NH2 2.67Å; D68-R72 PolarHBondContact OD2-NH2 2.92Å
69A86.9Confident89.7Confident74 Ų74104.6 Ų104.661%0.61256%0.558SS**Hα-helixtrans-59-31.6175.700000113.5A67A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 2.72Å
70L87.9Confident88.5Confident156 Ų156104.8 Ų104.882%0.81757%0.572SS**Hα-helixtrans-82.9-25178.4-58.5177.3000112.7A67 D68A67-L70 CarbonylContact O-C 3.59Å; A67-L70 WeakPolarHBondContact O-CA 3.41Å; A67-L70 WeakPolarHBondContact O-CB 3.4Å; A67-L70 PolarHBondContact O-N 3.21Å; D68-L70 PolarHBondContact O-N 2.96Å
71T88.1Confident87.2Confident107 Ų107111.2 Ų111.266%0.65660%0.6SS**Hα-helixtrans-93.2-11.4-179.758.70000113.8A67 D68A67-T71 WeakPolarHBondContact O-CG2 3.31Å; A67-T71 PolarHBondContact O-N 3.04Å; A67-T71 PolarHBondContact O-OG1 3.34Å; D68-T71 WeakPolarHBondContact CA-OG1 3.45Å; D68-T71 PolarHBondContact O-N 2.67Å; D68-T71 VanDerWaalsContact O-N 3.07Å; D68-T71 PolarHBondContact O-OG1 2.99Å
72R88.1Confident85.5Confident162 Ų162106.1 Ų106.161%0.61159%0.594SS**SBendtrans-68.2136.2178-81.7174.5-172.2-75.6-7.1111.1D68 P74D68-R72 VanDerWaalsContact O-CG 3.31Å; D68-R72 WeakPolarHBondContact O-CG 3.49Å; D68-R72 PolarHBondContact O-N 3.41Å; D68-R72 IonicContact OD1-CZ 3.74Å; D68-R72 IonicContact OD1-NE 3.65Å; D68-R72 IonicContact OD1-NH2 3.41Å; D68-R72 PolarHBondContact OD1-NH2 3.42Å; D68-R72 IonicContact OD2-CZ 3.08Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.07Å; D68-R72 IonicContact OD2-NH2 2.67Å; D68-R72 PolarHBondContact OD2-NH2 2.92Å; R72-P74 WeakPolarHBondContact O-CD 3.47Å
73V86.5Confident83.8Confident77 Ų77108.7 Ų108.747%0.46761%0.606SS.*PPolyproline II helixtrans-61.5126.3170.2-179.50000108.3T75 W77 L78V73-T75 PolarHBondContact O-N 2.98Å; V73-W77 HydrophobicContact CG1-CB 3.89Å; V73-W77 HydrophobicContact CG1-CE3 4.07Å; V73-L78 HydrophobicContact CB-CD1 4.43Å; V73-L78 HydrophobicContact CB-CD2 4.24Å; V73-L78 HydrophobicContact CB-CG 4.27Å; V73-L78 HydrophobicContact CG1-CD2 3.79Å; V73-L78 HydrophobicContact CG1-CG 3.84Å
74P86.2Confident82Confident53 Ų53111 Ų11134%0.34460%0.598SS.*PPolyproline II helixtrans-53.1132175.4-27.334.6000111R72 K76 W77 L78R72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-K76 HydrophobicContact CB-CG 3.92Å; P74-K76 PolarHBondContact O-N 3.39Å; P74-K76 VanDerWaalsContact O-N 3.08Å; P74-W77 HydrophobicContact CB-CD2 4.24Å; P74-W77 HydrophobicContact CB-CG 4.16Å; P74-W77 HydrophobicContact CG-CD2 3.93Å; P74-W77 HydrophobicContact CG-CE3 4.18Å; P74-W77 HydrophobicContact CG-CG 4.38Å; P74-W77 HydrophobicContact CG-CZ2 4.37Å; P74-W77 HydrophobicContact CG-CZ3 4.48Å; P74-W77 WeakPolarHBondContact O-CA 3.5Å; P74-W77 WeakPolarHBondContact O-CB 3.46Å; P74-W77 PolarHBondContact O-N 2.81Å; P74-L78 PolarHBondContact O-N 3.19Å
75T84.9Confident79.8Confident117 Ų117113.1 Ų113.172%0.71861%0.607SS**Hα-helixtrans-56.5-32.4-177.6-46.90000112.6V73 W77 L78 A79V73-T75 PolarHBondContact O-N 2.98Å; T75-W77 PolarHBondContact O-N 3.08Å; T75-L78 CarbonylContact O-C 3.48Å; T75-L78 WeakPolarHBondContact O-CA 3.34Å; T75-L78 WeakPolarHBondContact O-CB 3.47Å; T75-L78 PolarHBondContact O-N 3.24Å; T75-A79 PolarHBondContact O-N 3.33Å
76K85.9Confident77.8Confident161 Ų161118.7 Ų118.770%0.764%0.636SS**Hα-helixtrans-60.1-26.4173.762.6173.2-176.8178.40113.9P74P74-K76 HydrophobicContact CB-CG 3.92Å; P74-K76 PolarHBondContact O-N 3.39Å; P74-K76 VanDerWaalsContact O-N 3.08Å
77W85.6Confident75.4Confident185 Ų185115.7 Ų115.770%0.70163%0.633SS**Hα-helixtrans-84.5-22174.5-61.8-6.2000112.1V73 P74 T75V73-W77 HydrophobicContact CG1-CB 3.89Å; V73-W77 HydrophobicContact CG1-CE3 4.07Å; P74-W77 HydrophobicContact CB-CD2 4.24Å; P74-W77 HydrophobicContact CB-CG 4.16Å; P74-W77 HydrophobicContact CG-CD2 3.93Å; P74-W77 HydrophobicContact CG-CE3 4.18Å; P74-W77 HydrophobicContact CG-CG 4.38Å; P74-W77 HydrophobicContact CG-CZ2 4.37Å; P74-W77 HydrophobicContact CG-CZ3 4.48Å; P74-W77 WeakPolarHBondContact O-CA 3.5Å; P74-W77 WeakPolarHBondContact O-CB 3.46Å; P74-W77 PolarHBondContact O-N 2.81Å; T75-W77 PolarHBondContact O-N 3.08Å
78L83.9Confident73.3Confident121 Ų121118 Ų11863%0.63465%0.645SS**Hα-helixtrans-86.2-15172.6-61.8177.4000112.4V73 P74 T75 A80V73-L78 HydrophobicContact CB-CD1 4.43Å; V73-L78 HydrophobicContact CB-CD2 4.24Å; V73-L78 HydrophobicContact CB-CG 4.27Å; V73-L78 HydrophobicContact CG1-CD2 3.79Å; V73-L78 HydrophobicContact CG1-CG 3.84Å; P74-L78 PolarHBondContact O-N 3.19Å; T75-L78 CarbonylContact O-C 3.48Å; T75-L78 WeakPolarHBondContact O-CA 3.34Å; T75-L78 WeakPolarHBondContact O-CB 3.47Å; T75-L78 PolarHBondContact O-N 3.24Å; L78-A80 PolarHBondContact O-N 2.89Å
79A80.8Confident71.3Confident61 Ų61120 Ų12050%0.50467%0.669SS.*SBendtrans-58.1123.6169.800000107.1T75 E81T75-A79 PolarHBondContact O-N 3.33Å; A79-E81 PolarHBondContact O-N 3Å
80A72.8Confident69.7Low89 Ų89120 Ų12074%0.73667%0.669SS**  trans-54.911816600000106L78L78-A80 PolarHBondContact O-N 2.89Å
81E69.4Low67.8Low155 Ų155118.4 Ų118.472%0.72467%0.665SS**  trans-45.7130.3159.4-80.1-70.2138.600105.6A79 V83A79-E81 PolarHBondContact O-N 3Å; E81-V83 VanDerWaalsContact C-N 3.32Å; E81-V83 PolarHBondContact O-N 2.91Å
82P60.7Low66.5Low97 Ų97119.7 Ų119.763%0.6367%0.668SS**  trans-53.8112.5171.822.4-28.4000104.1H84P82-H84 PolarHBondContact O-N 3.37Å
83V58.6Low65.5Low128 Ų128114.9 Ų114.978%0.77666%0.655SS**  trans-57.497168.8-178.70000101.8E81 Q85E81-V83 VanDerWaalsContact C-N 3.32Å; E81-V83 PolarHBondContact O-N 2.91Å; V83-Q85 PolarHBondContact O-N 3.29Å
84H54.6Low65Low154 Ų154115.1 Ų115.171%0.71366%0.658SS**  trans-51.4110.1151-90.326.9000100.5P82 L86P82-H84 PolarHBondContact O-N 3.37Å; H84-L86 PolarHBondContact O-N 3.22Å
85Q48.1Very low64.6Low168 Ų168115.4 Ų115.479%0.78566%0.661SS**  trans-51.991.8153.4-82.2175.7-47.600102.2V83 T87V83-Q85 PolarHBondContact O-N 3.29Å; Q85-T87 PolarHBondContact O-N 3.24Å
86L50.3Low64.5Low147 Ų147113.8 Ų113.877%0.7765%0.648SS**  trans-53.792.7143.4-81.2158.2000100.3H84 C88H84-L86 PolarHBondContact O-N 3.22Å; L86-C88 PolarHBondContact O-N 2.91Å
87T42.7Very low64.4Low120 Ų120112.6 Ų112.674%0.73664%0.643SS**  trans-6270.9161.6-56.70000103.6Q85 A89Q85-T87 PolarHBondContact O-N 3.24Å; T87-A89 PolarHBondContact O-N 3Å
88C47.6Very low64.5Low96 Ų96113 Ų11365%0.64964%0.644SS**  trans-61.7103.2154.2-66.90000101.5L86 A90L86-C88 PolarHBondContact O-N 2.91Å; C88-A90 PolarHBondContact O-N 3.12Å
89A47.8Very low64.8Low92 Ų92110.5 Ų110.576%0.7663%0.628SS**  trans-64.253.715900000108.5T87 V91T87-A89 PolarHBondContact O-N 3Å; A89-V91 VanDerWaalsContact C-N 3.28Å; A89-V91 PolarHBondContact O-N 2.86Å
90A53.2Low65.2Low75 Ų75111.4 Ų111.462%0.6262%0.624SS**  trans-73.4102.3150.600000102.4C88 D92C88-A90 PolarHBondContact O-N 3.12Å; A90-D92 PolarHBondContact O-N 3.02Å
91V48.5Very low66.1Low122 Ų122110.3 Ų110.374%0.73961%0.608SS**  trans-35.8110.1160.7-179.60000105.7A89 D93A89-V91 VanDerWaalsContact C-N 3.28Å; A89-V91 PolarHBondContact O-N 2.86Å; V91-D93 HydrophobicContact CG1-CB 4.29Å; V91-D93 PolarHBondContact O-N 3.21Å
92D61.5Low67.2Low134 Ų134108.2 Ų108.272%0.71760%0.598SS**  trans-7164.4177.7-171.928.9000106.8A90 P94A90-D92 PolarHBondContact O-N 3.02Å; D92-P94 WeakPolarHBondContact O-CD 3.41Å
93D66.7Low68.7Low61 Ų61103.7 Ų103.733%0.32657%0.569SS.*  trans-71.5112.3174.9-177.4-2.3000105.5V91 S95 N96 K97V91-D93 HydrophobicContact CG1-CB 4.29Å; V91-D93 PolarHBondContact O-N 3.21Å; D93-S95 PolarHBondContact O-N 3.45Å; D93-S95 WeakPolarHBondContact OD1-CB 3.2Å; D93-S95 PolarHBondContact OD1-N 3.04Å; D93-S95 PolarHBondContact OD1-OG 3.22Å; D93-S95 WeakPolarHBondContact OD2-CB 3.49Å; D93-S95 PolarHBondContact OD2-OG 3.33Å; D93-N96 HydrophobicContact CB-CB 4.39Å; D93-N96 WeakPolarHBondContact O-CB 3.43Å; D93-N96 PolarHBondContact O-N 3.22Å; D93-K97 PolarHBondContact O-N 2.85Å
94P75.1Confident70.4Confident82 Ų82100.1 Ų100.153%0.53254%0.544SS..Hα-helixtrans-56-21176.923.3-33.5000111.9D92 R98D92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-R98 WeakPolarHBondContact O-CG 3.11Å; P94-R98 PolarHBondContact O-N 2.99Å; P94-R98 VanDerWaalsContact O-N 3.12Å
95S78.5Confident72.2Confident59 Ų5998 Ų9841%0.41353%0.534SS..Hα-helixtrans-64.7-45.9172.994.10000112.3D93 K97 R98 F99D93-S95 PolarHBondContact O-N 3.45Å; D93-S95 WeakPolarHBondContact OD1-CB 3.2Å; D93-S95 PolarHBondContact OD1-N 3.04Å; D93-S95 PolarHBondContact OD1-OG 3.22Å; D93-S95 WeakPolarHBondContact OD2-CB 3.49Å; D93-S95 PolarHBondContact OD2-OG 3.33Å; S95-K97 PolarHBondContact O-N 3.48Å; S95-R98 PolarHBondContact O-N 3.31Å; S95-F99 WeakPolarHBondContact O-CB 3.49Å; S95-F99 PolarHBondContact O-N 2.85Å
96N81.9Confident74.3Confident82 Ų8294.3 Ų94.344%0.43952%0.52SS..Hα-helixtrans-64.4-42.2178.8-74.9-23.3000111.1D93 F99 I100D93-N96 HydrophobicContact CB-CB 4.39Å; D93-N96 WeakPolarHBondContact O-CB 3.43Å; D93-N96 PolarHBondContact O-N 3.22Å; N96-F99 PolarHBondContact O-N 2.88Å; N96-I100 WeakPolarHBondContact O-CB 3.3Å; N96-I100 WeakPolarHBondContact O-CD1 3.39Å; N96-I100 WeakPolarHBondContact O-CG1 3.41Å; N96-I100 PolarHBondContact O-N 2.76Å
97K84.5Confident76.2Confident137 Ų13789.1 Ų89.160%0.59650%0.498SS*.Hα-helixtrans-60.6-47.8176.8-171.5173.7-176.5172.90111.3D93 S95 F99 I100 T101D93-K97 PolarHBondContact O-N 2.85Å; S95-K97 PolarHBondContact O-N 3.48Å; K97-F99 VanDerWaalsContact C-N 3.34Å; K97-F99 PolarHBondContact O-N 2.7Å; K97-I100 PolarHBondContact O-N 3.04Å; K97-T101 WeakPolarHBondContact O-CB 3.42Å; K97-T101 PolarHBondContact O-N 2.76Å; K97-T101 PolarHBondContact O-OG1 3.31Å
98R88.1Confident78.6Confident193 Ų19386 Ų8673%0.72849%0.49SS*.Hα-helixtrans-60.7-43.1176.1-74.9176.7-178.6170.82.2111.8P94 S95 T101 Q102P94-R98 WeakPolarHBondContact O-CG 3.11Å; P94-R98 PolarHBondContact O-N 2.99Å; P94-R98 VanDerWaalsContact O-N 3.12Å; S95-R98 PolarHBondContact O-N 3.31Å; R98-T101 PolarHBondContact O-N 3.24Å; R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 PolarHBondContact O-N 3.33Å
99F88.9Confident80.6Confident68 Ų6886.5 Ų86.530%0.29848%0.482SS..Hα-helixtrans-62.5-48.6178-178.7-110.5000112.1S95 N96 K97 T101 Q102 V103 V119 R122S95-F99 WeakPolarHBondContact O-CB 3.49Å; S95-F99 PolarHBondContact O-N 2.85Å; N96-F99 PolarHBondContact O-N 2.88Å; K97-F99 VanDerWaalsContact C-N 3.34Å; K97-F99 PolarHBondContact O-N 2.7Å; F99-T101 VanDerWaalsContact C-N 3.33Å; F99-T101 PolarHBondContact O-N 3Å; F99-Q102 PolarHBondContact O-N 3.2Å; F99-V103 HydrophobicContact CD1-CG2 4.49Å; F99-V103 HydrophobicContact CD2-CG2 4.45Å; F99-V103 HydrophobicContact CE1-CG2 4.2Å; F99-V103 HydrophobicContact CE2-CG2 4.15Å; F99-V103 HydrophobicContact CZ-CG2 4.03Å; F99-V103 WeakPolarHBondContact O-CG2 3.28Å; F99-V103 PolarHBondContact O-N 2.96Å; F99-V119 HydrophobicContact CD1-CG1 4.16Å; F99-V119 HydrophobicContact CE1-CB 4.47Å; F99-V119 HydrophobicContact CE1-CG1 3.93Å; F99-R122 HydrophobicContact CE2-CB 4.5Å; F99-R122 HydrophobicContact CZ-CB 3.71Å
100I90.5Very high82.6Confident80 Ų8084.6 Ų84.641%0.4146%0.462SS..Hα-helixtrans-59.8-45.6177.1-66164.7000110.3N96 K97 Q102 V103 H104 T115 V119N96-I100 WeakPolarHBondContact O-CB 3.3Å; N96-I100 WeakPolarHBondContact O-CD1 3.39Å; N96-I100 WeakPolarHBondContact O-CG1 3.41Å; N96-I100 PolarHBondContact O-N 2.76Å; K97-I100 PolarHBondContact O-N 3.04Å; I100-Q102 VanDerWaalsContact C-N 3.35Å; I100-Q102 PolarHBondContact O-N 2.9Å; I100-V103 PolarHBondContact O-N 3.48Å; I100-H104 VanDerWaalsContact O-CB 3.3Å; I100-H104 WeakPolarHBondContact O-CB 3.33Å; I100-H104 PolarHBondContact O-N 3.39Å; I100-T115 HydrophobicContact CG2-CG2 4.12Å; I100-V119 HydrophobicContact CB-CG2 4.35Å; I100-V119 HydrophobicContact CG1-CG1 4.17Å; I100-V119 HydrophobicContact CG1-CG2 4Å; I100-V119 HydrophobicContact CG2-CG2 4.4Å
101T90.4Very high84.4Confident67 Ų6782.6 Ų82.641%0.41145%0.449SS..Hα-helixtrans-61.6-42.3177.4-63.20000111.7K97 R98 F99 H104 H105K97-T101 WeakPolarHBondContact O-CB 3.42Å; K97-T101 PolarHBondContact O-N 2.76Å; K97-T101 PolarHBondContact O-OG1 3.31Å; R98-T101 PolarHBondContact O-N 3.24Å; F99-T101 VanDerWaalsContact C-N 3.33Å; F99-T101 PolarHBondContact O-N 3Å; T101-H104 WeakPolarHBondContact O-CB 3.35Å; T101-H104 PolarHBondContact O-N 3.03Å; T101-H105 PolarHBondContact O-CD2 3.47Å; T101-H105 VanDerWaalsContact O-CD2 3.24Å; T101-H105 PolarHBondContact O-N 3.08Å
102Q92.6Very high86.3Confident111 Ų11182.9 Ų82.952%0.51945%0.45SS..Hα-helixtrans-63.5-48176.9-173.9176.17.600111.5R98 F99 I100 H104 H105 D106R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 PolarHBondContact O-N 3.33Å; F99-Q102 PolarHBondContact O-N 3.2Å; I100-Q102 VanDerWaalsContact C-N 3.35Å; I100-Q102 PolarHBondContact O-N 2.9Å; Q102-H104 VanDerWaalsContact C-N 3.26Å; Q102-H104 PolarHBondContact O-N 3.39Å; Q102-H105 PolarHBondContact O-N 3.43Å; Q102-D106 WeakPolarHBondContact O-CB 3.49Å; Q102-D106 VanDerWaalsContact O-CG 3.25Å; Q102-D106 PolarHBondContact O-N 3.12Å
103V92.1Very high87.5Confident2 Ų287.6 Ų87.61%0.01246%0.458CS..Hα-helixtrans-59.9-38.7175.8174.50000111.5F99 I100 A107 F118 V119F99-V103 HydrophobicContact CD1-CG2 4.49Å; F99-V103 HydrophobicContact CD2-CG2 4.45Å; F99-V103 HydrophobicContact CE1-CG2 4.2Å; F99-V103 HydrophobicContact CE2-CG2 4.15Å; F99-V103 HydrophobicContact CZ-CG2 4.03Å; F99-V103 WeakPolarHBondContact O-CG2 3.28Å; F99-V103 PolarHBondContact O-N 2.96Å; I100-V103 PolarHBondContact O-N 3.48Å; V103-A107 WeakPolarHBondContact O-CB 3.2Å; V103-A107 PolarHBondContact O-N 3.46Å; V103-F118 HydrophobicContact CG1-CB 3.41Å; V103-F118 VanDerWaalsContact CG1-CB 3.41Å; V103-V119 HydrophobicContact CB-CG2 3.9Å; V103-V119 HydrophobicContact CG1-CG2 3.85Å; V103-V119 HydrophobicContact CG2-CG2 4.19Å
104H94.1Very high88.5Confident53 Ų5391.5 Ų91.525%0.24547%0.468CS..Hα-helixtrans-63.3-43.5177.3-174.268.3000112.6I100 T101 Q102 G108 H109 T115I100-H104 VanDerWaalsContact O-CB 3.3Å; I100-H104 WeakPolarHBondContact O-CB 3.33Å; I100-H104 PolarHBondContact O-N 3.39Å; T101-H104 WeakPolarHBondContact O-CB 3.35Å; T101-H104 PolarHBondContact O-N 3.03Å; Q102-H104 VanDerWaalsContact C-N 3.26Å; Q102-H104 PolarHBondContact O-N 3.39Å; H104-G108 PolarHBondContact O-N 3.32Å; H104-H109 AromaticContact CD2-CE1 3.74Å; H104-H109 AromaticContact CD2-ND1 3.12Å; H104-H109 PolarHBondContact CD2-ND1 2.7Å; H104-H109 AromaticContact CE1-ND1 3.88Å; H104-H109 AromaticContact NE2-CE1 3.91Å; H104-H109 AromaticContact NE2-CG 3.77Å; H104-H109 AromaticContact NE2-ND1 2.91Å; H104-H109 PolarHBondContact NE2-ND1 2.89Å; H104-H109 PolarHBondContact O-N 2.82Å; H104-T115 HydrophobicContact CB-CG2 3.74Å; H104-T115 PolarHBondContact ND1-OG1 2.94Å
105H93.6Very high89.3Confident109 Ų10988 Ų8851%0.50545%0.445SS..Hα-helixtrans-68.6-48.8175.9-83.5-70.7000112T101 Q102 A107 G108 H109T101-H105 PolarHBondContact O-CD2 3.47Å; T101-H105 VanDerWaalsContact O-CD2 3.24Å; T101-H105 PolarHBondContact O-N 3.08Å; Q102-H105 PolarHBondContact O-N 3.43Å; H105-A107 PolarHBondContact O-N 3.42Å; H105-G108 PolarHBondContact O-N 2.87Å; H105-H109 AromaticContact CE1-CE1 3.37Å; H105-H109 PolarHBondContact CE1-CE1 3.3Å; H105-H109 AromaticContact CE1-NE2 3.71Å; H105-H109 AromaticContact CG-CE1 3.99Å; H105-H109 AromaticContact ND1-CE1 3.22Å; H105-H109 PolarHBondContact ND1-CE1 3.29Å; H105-H109 AromaticContact ND1-NE2 3.29Å; H105-H109 PolarHBondContact ND1-NE2 2.9Å
106D91.8Very high89.8Confident91 Ų9189.2 Ų89.249%0.48745%0.447SS..Hα-helixtrans-58.1-34.2179.5-72.3-1.1000112.3Q102 G108 R122Q102-D106 WeakPolarHBondContact O-CB 3.49Å; Q102-D106 VanDerWaalsContact O-CG 3.25Å; Q102-D106 PolarHBondContact O-N 3.12Å; D106-G108 VanDerWaalsContact C-N 3.35Å; D106-R122 IonicContact OD2-CZ 3.38Å; D106-R122 IonicContact OD2-NH1 2.76Å; D106-R122 PolarHBondContact OD2-NH1 2.67Å; D106-R122 IonicContact OD2-NH2 3.04Å; D106-R122 PolarHBondContact OD2-NH2 2.62Å
107A90.8Very high90.2Very high38 Ų3890.3 Ų90.331%0.31445%0.446SS..THydrogen-bonded Turntrans-86.90.7-179.900000114.2V103 H105 P110 F118V103-A107 WeakPolarHBondContact O-CB 3.2Å; V103-A107 PolarHBondContact O-N 3.46Å; H105-A107 PolarHBondContact O-N 3.42Å; A107-P110 HydrophobicContact CB-CG 3.93Å; A107-F118 HydrophobicContact CB-CD2 3.56Å; A107-F118 HydrophobicContact CB-CE2 3.64Å
108G92Very high90.4Very high55 Ų5586.3 Ų86.357%0.56743%0.428SS*.THydrogen-bonded Turntrans75.741176.400000114.9H104 H105 D106H104-G108 PolarHBondContact O-N 3.32Å; H105-G108 PolarHBondContact O-N 2.87Å; D106-G108 VanDerWaalsContact C-N 3.35Å
109H91Very high90.5Very high105 Ų10578.3 Ų78.349%0.48640%0.401SS..SBendtrans55.546.9176-57-73.1000116.1H104 H105 G111H104-H109 AromaticContact CD2-CE1 3.74Å; H104-H109 AromaticContact CD2-ND1 3.12Å; H104-H109 PolarHBondContact CD2-ND1 2.7Å; H104-H109 AromaticContact CE1-ND1 3.88Å; H104-H109 AromaticContact NE2-CE1 3.91Å; H104-H109 AromaticContact NE2-CG 3.77Å; H104-H109 AromaticContact NE2-ND1 2.91Å; H104-H109 PolarHBondContact NE2-ND1 2.89Å; H104-H109 PolarHBondContact O-N 2.82Å; H105-H109 AromaticContact CE1-CE1 3.37Å; H105-H109 PolarHBondContact CE1-CE1 3.3Å; H105-H109 AromaticContact CE1-NE2 3.71Å; H105-H109 AromaticContact CG-CE1 3.99Å; H105-H109 AromaticContact ND1-CE1 3.22Å; H105-H109 PolarHBondContact ND1-CE1 3.29Å; H105-H109 AromaticContact ND1-NE2 3.29Å; H105-H109 PolarHBondContact ND1-NE2 2.9Å; H109-G111 PolarHBondContact O-N 2.64Å
110P89.7Confident90.4Very high52 Ų5282.8 Ų82.834%0.33842%0.416SS..  trans-7714.4-169.836.4-41000114.5A107 R114 F118A107-P110 HydrophobicContact CB-CG 3.93Å; P110-R114 HydrophobicContact CB-CB 3.7Å; P110-R114 HydrophobicContact CB-CG 3.77Å; P110-R114 HydrophobicContact CG-CB 3.77Å; P110-R114 HydrophobicContact CG-CG 3.95Å; P110-R114 WeakPolarHBondContact O-CB 3.46Å; P110-F118 HydrophobicContact CG-CD2 4.38Å; P110-F118 HydrophobicContact CG-CE2 4.07Å
111G89.4Confident90.3Very high33 Ų3385.5 Ų85.534%0.3442%0.421SS..  trans81.4173-173.600000114.5H109 T115H109-G111 PolarHBondContact O-N 2.64Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 PolarHBondContact O-N 3.36Å; G111-T115 PolarHBondContact O-OG1 3.49Å
112V88.8Confident89.8Confident128 Ų12888.8 Ų88.878%0.77643%0.426SS*.Hα-helixtrans-62.7-51.4-168.3-179.20000112.6R114 T115 L116V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 3.33Å; V112-T115 PolarHBondContact O-N 2.89Å; V112-L116 PolarHBondContact O-N 3.14Å
113R87.6Confident88.5Confident233 Ų23386 Ų8688%0.87943%0.427SS*.Hα-helixtrans-59.3-42.1-177.2-69.8-176.267.9-179.51.8112.4Y117R113-Y117 PolarHBondContact O-N 3.32Å
114R87.3Confident86.7Confident144 Ų14492.1 Ų92.154%0.54346%0.455SS..Hα-helixtrans-73.3-37.6-179.2-157101.8-168.4162.63.4111.6P110 V112 Y117 F118P110-R114 HydrophobicContact CB-CB 3.7Å; P110-R114 HydrophobicContact CB-CG 3.77Å; P110-R114 HydrophobicContact CG-CB 3.77Å; P110-R114 HydrophobicContact CG-CG 3.95Å; P110-R114 WeakPolarHBondContact O-CB 3.46Å; V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 3.33Å; R114-Y117 WeakPolarHBondContact O-CB 3.42Å; R114-Y117 PolarHBondContact O-N 3.43Å; R114-F118 HydrophobicContact CB-CE2 4.46Å; R114-F118 HydrophobicContact CG-CD2 4.13Å; R114-F118 HydrophobicContact CG-CE2 3.45Å; R114-F118 VanDerWaalsContact CG-CE2 3.45Å; R114-F118 HydrophobicContact CG-CZ 3.94Å; R114-F118 WeakPolarHBondContact O-CD2 3.41Å; R114-F118 WeakPolarHBondContact O-CG 3.44Å; R114-F118 PolarHBondContact O-N 3.04Å; R114-F118 VanDerWaalsContact O-N 3.08Å
115T90.9Very high83.9Confident7 Ų792.9 Ų92.94%0.04348%0.477CS..Hα-helixtrans-60-47.5173.9-54.70000110.6I100 H104 G111 V112 Y117 F118 V119I100-T115 HydrophobicContact CG2-CG2 4.12Å; H104-T115 HydrophobicContact CB-CG2 3.74Å; H104-T115 PolarHBondContact ND1-OG1 2.94Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 PolarHBondContact O-N 3.36Å; G111-T115 PolarHBondContact O-OG1 3.49Å; V112-T115 PolarHBondContact O-N 2.89Å; T115-Y117 VanDerWaalsContact C-N 3.31Å; T115-Y117 PolarHBondContact O-N 3.35Å; T115-F118 PolarHBondContact O-N 2.98Å; T115-F118 VanDerWaalsContact O-N 3.14Å; T115-V119 HydrophobicContact CG2-CG2 4.3Å; T115-V119 VanDerWaalsContact O-CG2 3.28Å; T115-V119 WeakPolarHBondContact O-CG2 3.2Å; T115-V119 PolarHBondContact O-N 2.96Å
116L89.5Confident81.3Confident86 Ų8691.6 Ų91.645%0.4549%0.485SS..Hα-helixtrans-58.1-42.5176.918063.3000112.4V112 F118 V119 R120V112-L116 PolarHBondContact O-N 3.14Å; L116-F118 PolarHBondContact O-N 3.07Å; L116-V119 PolarHBondContact O-N 3.17Å; L116-R120 HydrophobicContact CD1-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.58Å
117Y90.1Very high78.8Confident105 Ų10593 Ų9341%0.41250%0.499SS..Hα-helixtrans-58.8-45.3175.4172.4-99.8000112.4R113 R114 T115 R121R113-Y117 PolarHBondContact O-N 3.32Å; R114-Y117 WeakPolarHBondContact O-CB 3.42Å; R114-Y117 PolarHBondContact O-N 3.43Å; T115-Y117 VanDerWaalsContact C-N 3.31Å; T115-Y117 PolarHBondContact O-N 3.35Å; Y117-R121 WeakPolarHBondContact O-CB 3.5Å; Y117-R121 PolarHBondContact O-N 2.94Å; Y117-R121 PolarHBondContact OH-NH2 2.98Å
118F89.5Confident76.6Confident52 Ų5297 Ų9723%0.22852%0.52CS..Hα-helixtrans-70.1-35.8178.2-65.4-48.6000113.1V103 A107 P110 R114 T115 L116 R121 R122V103-F118 HydrophobicContact CG1-CB 3.41Å; V103-F118 VanDerWaalsContact CG1-CB 3.41Å; A107-F118 HydrophobicContact CB-CD2 3.56Å; A107-F118 HydrophobicContact CB-CE2 3.64Å; P110-F118 HydrophobicContact CG-CD2 4.38Å; P110-F118 HydrophobicContact CG-CE2 4.07Å; R114-F118 HydrophobicContact CB-CE2 4.46Å; R114-F118 HydrophobicContact CG-CD2 4.13Å; R114-F118 HydrophobicContact CG-CE2 3.45Å; R114-F118 VanDerWaalsContact CG-CE2 3.45Å; R114-F118 HydrophobicContact CG-CZ 3.94Å; R114-F118 WeakPolarHBondContact O-CD2 3.41Å; R114-F118 WeakPolarHBondContact O-CG 3.44Å; R114-F118 PolarHBondContact O-N 3.04Å; R114-F118 VanDerWaalsContact O-N 3.08Å; T115-F118 PolarHBondContact O-N 2.98Å; T115-F118 VanDerWaalsContact O-N 3.14Å; L116-F118 PolarHBondContact O-N 3.07Å; F118-R121 PolarHBondContact O-N 2.91Å; F118-R122 WeakPolarHBondContact O-CB 3.14Å; F118-R122 PolarHBondContact O-N 2.68Å
119V88.9Confident74Confident25 Ų25103.6 Ų103.615%0.15254%0.536CS..Hα-helixtrans-61.7-48175167.70000110.1F99 I100 V103 T115 L116 R122 G123F99-V119 HydrophobicContact CD1-CG1 4.16Å; F99-V119 HydrophobicContact CE1-CB 4.47Å; F99-V119 HydrophobicContact CE1-CG1 3.93Å; I100-V119 HydrophobicContact CB-CG2 4.35Å; I100-V119 HydrophobicContact CG1-CG1 4.17Å; I100-V119 HydrophobicContact CG1-CG2 4Å; I100-V119 HydrophobicContact CG2-CG2 4.4Å; V103-V119 HydrophobicContact CB-CG2 3.9Å; V103-V119 HydrophobicContact CG1-CG2 3.85Å; V103-V119 HydrophobicContact CG2-CG2 4.19Å; T115-V119 HydrophobicContact CG2-CG2 4.3Å; T115-V119 VanDerWaalsContact O-CG2 3.28Å; T115-V119 WeakPolarHBondContact O-CG2 3.2Å; T115-V119 PolarHBondContact O-N 2.96Å; L116-V119 PolarHBondContact O-N 3.17Å; V119-R122 PolarHBondContact O-N 2.86Å; V119-G123 PolarHBondContact O-N 2.74Å
120R87.5Confident71.2Confident163 Ų163102.1 Ų102.162%0.61555%0.549SS*.Hα-helixtrans-59.1-49.7176-72178.3-179.6-171.7-1.6111.1L116 R122 G123 E124L116-R120 HydrophobicContact CD1-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.58Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R120-R122 PolarHBondContact O-N 2.73Å; R120-G123 PolarHBondContact O-N 2.89Å; R120-G123 VanDerWaalsContact O-N 3.17Å; R120-E124 VanDerWaalsContact O-CG 3.24Å; R120-E124 WeakPolarHBondContact O-CG 3.24Å; R120-E124 PolarHBondContact O-N 3.17Å
121R87.6Confident68.8Low136 Ų136111 Ų11151%0.51358%0.577SS.*Hα-helixtrans-59.5-37.6178.2-179.4179.8-81.2179.7-17.2114Y117 F118 E124Y117-R121 WeakPolarHBondContact O-CB 3.5Å; Y117-R121 PolarHBondContact O-N 2.94Å; Y117-R121 PolarHBondContact OH-NH2 2.98Å; F118-R121 PolarHBondContact O-N 2.91Å; R121-E124 WeakPolarHBondContact CA-OE1 3.49Å
122R80.6Confident66.4Low137 Ų137112.9 Ų112.952%0.51760%0.597SS.*Hα-helixtrans-81.8-24.5178-76.1-163.8-175.6-179.81.5113.1F99 D106 F118 V119 R120F99-R122 HydrophobicContact CE2-CB 4.5Å; F99-R122 HydrophobicContact CZ-CB 3.71Å; D106-R122 IonicContact OD2-CZ 3.38Å; D106-R122 IonicContact OD2-NH1 2.76Å; D106-R122 PolarHBondContact OD2-NH1 2.67Å; D106-R122 IonicContact OD2-NH2 3.04Å; D106-R122 PolarHBondContact OD2-NH2 2.62Å; F118-R122 WeakPolarHBondContact O-CB 3.14Å; F118-R122 PolarHBondContact O-N 2.68Å; V119-R122 PolarHBondContact O-N 2.86Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R120-R122 PolarHBondContact O-N 2.73Å
123G66.1Low63.6Low52 Ų52110.7 Ų110.754%0.53660%0.6SS.*SBendtrans-91.86.8178.800000114.7V119 R120 G125V119-G123 PolarHBondContact O-N 2.74Å; R120-G123 PolarHBondContact O-N 2.89Å; R120-G123 VanDerWaalsContact O-N 3.17Å; G123-G125 PolarHBondContact O-N 3.18Å
124E52.8Low61.2Low131 Ų131108.2 Ų108.261%0.61260%0.599SS**  trans-72.889.4-174-94.4158.7-150.700112.8R120 R121 A126R120-E124 VanDerWaalsContact O-CG 3.24Å; R120-E124 WeakPolarHBondContact O-CG 3.24Å; R120-E124 PolarHBondContact O-N 3.17Å; R121-E124 WeakPolarHBondContact CA-OE1 3.49Å; E124-A126 HydrophobicContact CG-CB 4.46Å
125G37.1Very low58.6Low69 Ų69109.5 Ų109.571%0.71161%0.611SS**  -102.191.8115.900000107.5G123 P127G123-G125 PolarHBondContact O-N 3.18Å; G125-P127 WeakPolarHBondContact O-CD 3.43Å
126A37.5Very low56.6Low81 Ų81116.9 Ų116.967%0.66965%0.648SS**PPolyproline II helixtrans-65132178.200000110.8E124E124-A126 HydrophobicContact CG-CB 4.46Å
127P40.3Very low54.1Low121 Ų121119.9 Ų119.979%0.78666%0.659SS**PPolyproline II helixtrans-90.6116.6149.413.94.7000108.2G125G125-P127 WeakPolarHBondContact O-CD 3.43Å
128T43.7Very low51.9Low121 Ų121119.1 Ų119.174%0.74268%0.675SS**PPolyproline II helixtrans-50.2136.2149.8450000109.8
129E38.2Very low49.9Very low195 Ų195122.4 Ų122.491%0.91170%0.699SS**  trans139.8126.6148.4-76.2176.6-175.800113.7
130G32.4Very low47.6Very low73 Ų73126.3 Ų126.375%0.75373%0.728SS**  trans109.342.9148.600000119.8
131Y40Very low45.9Very low239 Ų239124.9 Ų124.994%0.93774%0.737SS**  trans-95.191.1153.1-84.5-80.8000109
132G37.2Very low43.8Very low73 Ų73131 Ų13175%0.75377%0.771SS**  trans-54.8133.4159.500000109
133G31.3Very low42Very low81 Ų81130.7 Ų130.784%0.83578%0.784SS**  trans-63.4133.9-17300000112.4
134E37Very low40.7Very low182 Ų182134.8 Ų134.885%0.8580%0.797SS**  trans-133.6107.6146.1-146.6169.3176.500105.9I136E134-I136 PolarHBondContact O-N 3Å
135E33Very low40Very low171 Ų171135 Ų13580%0.79981%0.807SS**  trans-55.6105.6174.3-76.5-179.8134.500109H137E135-H137 VanDerWaalsContact C-N 3.27Å; E135-H137 PolarHBondContact O-N 3.08Å; E135-H137 VanDerWaalsContact O-N 3.08Å
136I47.3Very low40.2Very low162 Ų162138.9 Ų138.983%0.83181%0.812SS**  trans-82.589.1162.6-42.7-180000106E134 A138E134-I136 PolarHBondContact O-N 3Å; I136-A138 PolarHBondContact O-N 3.22Å
137H38Very low40.4Very low148 Ų148142.5 Ų142.569%0.68582%0.821SS**  trans-48.6109.7166.9-112.9-99000108.7E135 V139E135-H137 VanDerWaalsContact C-N 3.27Å; E135-H137 PolarHBondContact O-N 3.08Å; E135-H137 VanDerWaalsContact O-N 3.08Å; H137-V139 PolarHBondContact O-N 2.95Å
138A43Very low40.4Very low90 Ų90143.9 Ų143.974%0.74482%0.824SS**  trans-67.796.4169.100000108I136 S140I136-A138 PolarHBondContact O-N 3.22Å; A138-S140 PolarHBondContact O-N 2.96Å; A138-S140 VanDerWaalsContact O-N 3.07Å
139V48.3Very low40.1Very low120 Ų120145.6 Ų145.673%0.72783%0.83SS**  trans-72.799.1165.2-1790000106.7H137 V141H137-V139 PolarHBondContact O-N 2.95Å; V139-V141 HydrophobicContact CG1-CG2 4.37Å; V139-V141 PolarHBondContact O-N 3.03Å
140S41.8Very low40.3Very low108 Ų108141.8 Ų141.876%0.75582%0.823SS**  trans-66.4123.9161.8-66.10000107.7A138A138-S140 PolarHBondContact O-N 2.96Å; A138-S140 VanDerWaalsContact O-N 3.07Å
141V50.1Low40.9Very low132 Ų132147.5 Ų147.580%0.883%0.829SS**  trans-99.8102167.8-176.50000106.1V139V139-V141 HydrophobicContact CG1-CG2 4.37Å; V139-V141 PolarHBondContact O-N 3.03Å
142E44.4Very low41Very low264 Ų264139.2 Ų139.2100%1.23482%0.819SS**  trans-103.50151.3-85.6-173.514600108.4

Retrieved 142 of 142 residues in 195.6 ms (Link to these results)