G4VMI7_SCHMA Loading...

Trafficking protein particle complex subunit

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession G4VMI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 177 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
1M41.3Very low48.6Very low254 Ų254159.3 Ų159.3100%1.25183%0.825SS**  093.90-73.3176.9175.600108.3
2A40Very low50.9Low99 Ų99166.1 Ų166.182%0.81883%0.832SS**  trans-103.3110.5178.100000108.5Q4A2-Q4 PolarHBondContact O-N 2.97Å
3R41.1Very low53.1Low257 Ų257161 Ų16197%0.9781%0.814SS**  trans-70.496.4166.7-105.5177.4168.8175.9-3.6106.9S5R3-S5 PolarHBondContact O-N 3.26Å
4Q40.7Very low55.2Low187 Ų187155.8 Ų155.887%0.87480%0.795SS**  trans-58.3107.6160.1-102.9173.6-7.200107.3A2 R6A2-Q4 PolarHBondContact O-N 2.97Å; Q4-R6 PolarHBondContact O-N 3.25Å; Q4-R6 VanDerWaalsContact O-N 3.1Å
5S43.5Very low57Low114 Ų114149.2 Ų149.280%0.79777%0.773SS**  trans-60.9109.8164.1-177.90000107R3 G7R3-S5 PolarHBondContact O-N 3.26Å; S5-G7 PolarHBondContact O-N 3.4Å
6R42.1Very low58.9Low242 Ų242146.9 Ų146.991%0.91376%0.758SS**  trans-60.5102.3166.5-87.6-180164.6178.3-5106.4Q4 S8Q4-R6 PolarHBondContact O-N 3.25Å; Q4-R6 VanDerWaalsContact O-N 3.1Å; R6-S8 PolarHBondContact O-N 3.35Å; R6-S8 VanDerWaalsContact O-N 3.11Å
7G43.3Very low60.7Low68 Ų68143.9 Ų143.970%0.70174%0.742SS**  trans-54.5118.5168.500000108.3S5 E9S5-G7 PolarHBondContact O-N 3.4Å; G7-E9 PolarHBondContact O-N 2.92Å
8S54.5Low62.3Low88 Ų88141.2 Ų141.262%0.61573%0.725SS**  trans-67.4102.9173.651.70000107.7R6 S10R6-S8 PolarHBondContact O-N 3.35Å; R6-S8 VanDerWaalsContact O-N 3.11Å; S8-S10 PolarHBondContact O-N 3.19Å
9E53.6Low63.9Low188 Ų188134.1 Ų134.188%0.87969%0.688SS**  trans-54.5116.7163.4-87.1-170.8146.600107.6G7 K11G7-E9 PolarHBondContact O-N 2.92Å; E9-K11 PolarHBondContact O-N 2.85Å; E9-K11 VanDerWaalsContact O-N 3.16Å
10S63.4Low65.3Low54 Ų54132.9 Ų132.938%0.37868%0.682SS.*  trans-72113.1-179.9-55.80000107.9S8 R12 R61S8-S10 PolarHBondContact O-N 3.19Å; S10-R12 PolarHBondContact O-N 2.96Å; S10-R61 VanDerWaalsContact OG-CZ 3.25Å; S10-R61 PolarHBondContact OG-NH1 3.36Å; S10-R61 PolarHBondContact OG-NH2 2.96Å
11K71.6Confident66.7Low201 Ų201130.6 Ų130.687%0.87468%0.675SS**  trans-60.5112.1174.6-68.1-176.8179.3-179.10108E9E9-K11 PolarHBondContact O-N 2.85Å; E9-K11 VanDerWaalsContact O-N 3.16Å
12R75.4Confident69.3Low241 Ų241119 Ų11991%0.90962%0.617SS**PPolyproline II helixtrans-82.2126.5173.6-64-174.9-178.5-176.60.5108.3S10S10-R12 PolarHBondContact O-N 2.96Å
13V79.6Confident72Confident100 Ų100115.3 Ų115.361%0.60659%0.589SS**PPolyproline II helixtrans-96.7154.3168.4-179.70000107.5L17V13-L17 HydrophobicContact CG1-CB 3.91Å; V13-L17 HydrophobicContact CG1-CD2 3.38Å; V13-L17 HydrophobicContact CG1-CG 3.96Å
14T82Confident74.6Confident88 Ų88105.6 Ų105.654%0.5456%0.563SS.*PPolyproline II helixtrans-62.9140.2174.755.50000110.1E16 L17 F18T14-E16 PolarHBondContact O-N 2.81Å; T14-L17 PolarHBondContact O-N 3.02Å; T14-L17 WeakPolarHBondContact OG1-CB 3.42Å; T14-F18 PolarHBondContact O-N 2.76Å
15A83.1Confident77.3Confident57 Ų5799.6 Ų99.647%0.47154%0.537SS..Hα-helixtrans-57.7-41.5178.800000111.1L17 F18 T19A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 2.93Å; A15-F18 WeakPolarHBondContact O-CA 3.26Å; A15-F18 WeakPolarHBondContact O-CB 3.48Å; A15-F18 PolarHBondContact O-N 3.12Å; A15-T19 PolarHBondContact O-N 2.73Å; A15-T19 PolarHBondContact O-OG1 3.2Å; A15-T19 VanDerWaalsContact O-OG1 3.06Å
16E86.6Confident79.8Confident113 Ų11394.4 Ų94.453%0.52850%0.5SS..Hα-helixtrans-54.6-42.9177-63.4174.8162.600113.2T14 F18 T19 L20 F113T14-E16 PolarHBondContact O-N 2.81Å; E16-F18 VanDerWaalsContact C-N 3.31Å; E16-F18 PolarHBondContact O-N 3.41Å; E16-T19 PolarHBondContact O-N 3.02Å; E16-L20 WeakPolarHBondContact O-CB 3.31Å; E16-L20 VanDerWaalsContact O-CG 3.26Å; E16-L20 WeakPolarHBondContact O-CG 3.3Å; E16-L20 PolarHBondContact O-N 2.96Å; E16-F113 HydrophobicContact CG-CE2 4.49Å
17L90.2Very high82.3Confident95 Ų9585.1 Ų85.150%0.49748%0.475SS..Hα-helixtrans-64.7-39.6179177.459.4000111V13 T14 A15 T21V13-L17 HydrophobicContact CG1-CB 3.91Å; V13-L17 HydrophobicContact CG1-CD2 3.38Å; V13-L17 HydrophobicContact CG1-CG 3.96Å; T14-L17 PolarHBondContact O-N 3.02Å; T14-L17 WeakPolarHBondContact OG1-CB 3.42Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 2.93Å; L17-T21 VanDerWaalsContact O-CB 3.32Å; L17-T21 WeakPolarHBondContact O-CB 3.5Å; L17-T21 PolarHBondContact O-N 3.11Å; L17-T21 PolarHBondContact O-OG1 2.57Å
18F90.1Very high84.8Confident96 Ų9685.2 Ų85.242%0.42146%0.46SS..Hα-helixtrans-66.3-45.9174.8178.4-110.9000111.5T14 A15 E16 L20 T21 Y22 L85 L110T14-F18 PolarHBondContact O-N 2.76Å; A15-F18 WeakPolarHBondContact O-CA 3.26Å; A15-F18 WeakPolarHBondContact O-CB 3.48Å; A15-F18 PolarHBondContact O-N 3.12Å; E16-F18 VanDerWaalsContact C-N 3.31Å; E16-F18 PolarHBondContact O-N 3.41Å; F18-L20 PolarHBondContact O-N 3.21Å; F18-T21 PolarHBondContact O-N 3.15Å; F18-Y22 WeakPolarHBondContact O-CB 3.41Å; F18-Y22 PolarHBondContact O-N 3.23Å; F18-L85 HydrophobicContact CD1-CD2 4.26Å; F18-L85 HydrophobicContact CE1-CD2 3.45Å; F18-L85 VanDerWaalsContact CE1-CD2 3.45Å; F18-L85 HydrophobicContact CZ-CD2 4Å; F18-L110 HydrophobicContact CD1-CD2 3.95Å; F18-L110 HydrophobicContact CE1-CD2 3.34Å; F18-L110 HydrophobicContact CZ-CD2 4.06Å
19T91.4Very high86.8Confident5 Ų581.6 Ų81.63%0.03143%0.434CS..Hα-helixtrans-58.4-46.9177.6-58.30000112A15 E16 Y22 G23 P109 F113A15-T19 PolarHBondContact O-N 2.73Å; A15-T19 PolarHBondContact O-OG1 3.2Å; A15-T19 VanDerWaalsContact O-OG1 3.06Å; E16-T19 PolarHBondContact O-N 3.02Å; T19-Y22 PolarHBondContact O-N 3.47Å; T19-G23 PolarHBondContact O-N 3.16Å; T19-P109 WeakPolarHBondContact CG2-O 3.14Å; T19-P109 PolarHBondContact OG1-O 3.17Å; T19-F113 HydrophobicContact CG2-CD2 4.14Å
20L93Very high88.8Confident110 Ų11074.4 Ų74.458%0.57640%0.402SS*.Hα-helixtrans-67.7-38.1178.2-67.7174.1000112.4E16 F18 Y22 G23 A24E16-L20 WeakPolarHBondContact O-CB 3.31Å; E16-L20 VanDerWaalsContact O-CG 3.26Å; E16-L20 WeakPolarHBondContact O-CG 3.3Å; E16-L20 PolarHBondContact O-N 2.96Å; F18-L20 PolarHBondContact O-N 3.21Å; L20-Y22 VanDerWaalsContact C-N 3.32Å; L20-G23 PolarHBondContact O-N 2.97Å; L20-A24 PolarHBondContact O-N 3.46Å
21T94.8Very high90.3Very high85 Ų8580.6 Ų80.652%0.52142%0.418SS..Hα-helixtrans-64-41.6175.1-58.60000110.7L17 F18 A24 L25L17-T21 VanDerWaalsContact O-CB 3.32Å; L17-T21 WeakPolarHBondContact O-CB 3.5Å; L17-T21 PolarHBondContact O-N 3.11Å; L17-T21 PolarHBondContact O-OG1 2.57Å; F18-T21 PolarHBondContact O-N 3.15Å; T21-A24 PolarHBondContact O-N 2.94Å; T21-L25 PolarHBondContact O-N 3.37Å
22Y96.1Very high91.4Very high12 Ų1277 Ų775%0.04741%0.408CS..Hα-helixtrans-64.6-44.2175.1-174.9-113.9000111.8F18 T19 L20 A24 L25 V26 L43 L110 Y125 V128F18-Y22 WeakPolarHBondContact O-CB 3.41Å; F18-Y22 PolarHBondContact O-N 3.23Å; T19-Y22 PolarHBondContact O-N 3.47Å; L20-Y22 VanDerWaalsContact C-N 3.32Å; Y22-A24 VanDerWaalsContact C-N 3.32Å; Y22-A24 PolarHBondContact O-N 3.39Å; Y22-L25 HydrophobicContact CD2-CD2 4.29Å; Y22-L25 HydrophobicContact CE2-CD2 4.39Å; Y22-L25 WeakPolarHBondContact O-CB 3.27Å; Y22-L25 PolarHBondContact O-N 2.91Å; Y22-L25 VanDerWaalsContact O-N 3.08Å; Y22-V26 HydrophobicContact CD1-CG2 4.11Å; Y22-V26 HydrophobicContact CD2-CG2 4.45Å; Y22-V26 HydrophobicContact CE1-CG2 3.7Å; Y22-V26 HydrophobicContact CE2-CG2 4.03Å; Y22-V26 HydrophobicContact CG-CG2 4.48Å; Y22-V26 WeakPolarHBondContact O-CG2 3.44Å; Y22-V26 PolarHBondContact O-N 2.78Å; Y22-L43 HydrophobicContact CE2-CD2 4.45Å; Y22-L110 HydrophobicContact CD1-CB 4.01Å; Y22-L110 HydrophobicContact CD1-CD1 4.23Å; Y22-L110 HydrophobicContact CD1-CD2 3.74Å; Y22-L110 HydrophobicContact CD1-CG 4.22Å; Y22-L110 HydrophobicContact CE1-CB 4.15Å; Y22-L110 HydrophobicContact CE1-CD1 3.95Å; Y22-L110 HydrophobicContact CE1-CD2 4.31Å; Y22-L110 HydrophobicContact CE1-CG 4.38Å; Y22-L110 HydrophobicContact CG-CD2 3.89Å; Y22-Y125 HydrophobicContact CD1-CD1 4.37Å; Y22-Y125 AromaticContact CD1-CE1 3.55Å; Y22-Y125 HydrophobicContact CD1-CE1 3.55Å; Y22-Y125 AromaticContact CD1-CZ 3.97Å; Y22-Y125 AromaticContact CE1-CD1 3.76Å; Y22-Y125 HydrophobicContact CE1-CD1 3.76Å; Y22-Y125 AromaticContact CE1-CE1 3.39Å; Y22-Y125 HydrophobicContact CE1-CE1 3.39Å; Y22-Y125 VanDerWaalsContact CE1-O 3.31Å; Y22-Y125 WeakPolarHBondContact CE1-O 3.26Å; Y22-Y125 PolarHBondContact OH-O 3.44Å; Y22-V128 HydrophobicContact CE2-CB 3.95Å; Y22-V128 HydrophobicContact CE2-CG1 3.57Å; Y22-V128 HydrophobicContact CE2-CG2 4.36Å; Y22-V128 WeakPolarHBondContact OH-CB 3.23Å; Y22-V128 WeakPolarHBondContact OH-CG1 3.23Å
23G96.1Very high92.3Very high21 Ų2168.3 Ų68.322%0.21638%0.377CS..Hα-helixtrans-60.3-39.2175.500000113.3T19 L20 L25 V26 A27 Y125T19-G23 PolarHBondContact O-N 3.16Å; L20-G23 PolarHBondContact O-N 2.97Å; G23-L25 VanDerWaalsContact C-N 3.35Å; G23-L25 PolarHBondContact O-N 3.39Å; G23-V26 PolarHBondContact O-N 2.83Å; G23-A27 VanDerWaalsContact O-CB 3.27Å; G23-A27 WeakPolarHBondContact O-CB 3.49Å; G23-A27 PolarHBondContact O-N 3.31Å; G23-Y125 WeakPolarHBondContact CA-OH 3.27Å
24A96Very high92.8Very high53 Ų5371 Ų7144%0.43839%0.388SS..Hα-helixtrans-64.4-38.3173.300000112.5L20 T21 Y22 N28L20-A24 PolarHBondContact O-N 3.46Å; T21-A24 PolarHBondContact O-N 2.94Å; Y22-A24 VanDerWaalsContact C-N 3.32Å; Y22-A24 PolarHBondContact O-N 3.39Å; A24-N28 PolarHBondContact O-N 2.83Å; A24-N28 PolarHBondContact O-ND2 2.89Å; A24-N28 PolarHBondContact O-OD1 2.89Å
25L96.5Very high93.5Very high61 Ų6170 Ų7032%0.31938%0.381SS..Hα-helixtrans-62.5-50.4173.8173.967.1000111.1T21 Y22 G23 A27 N28 I29 I46T21-L25 PolarHBondContact O-N 3.37Å; Y22-L25 HydrophobicContact CD2-CD2 4.29Å; Y22-L25 HydrophobicContact CE2-CD2 4.39Å; Y22-L25 WeakPolarHBondContact O-CB 3.27Å; Y22-L25 PolarHBondContact O-N 2.91Å; Y22-L25 VanDerWaalsContact O-N 3.08Å; G23-L25 VanDerWaalsContact C-N 3.35Å; G23-L25 PolarHBondContact O-N 3.39Å; L25-A27 VanDerWaalsContact C-N 3.34Å; L25-A27 PolarHBondContact O-N 2.82Å; L25-N28 WeakPolarHBondContact O-CB 3.45Å; L25-N28 PolarHBondContact O-N 3.11Å; L25-N28 VanDerWaalsContact O-N 3.15Å; L25-I29 HydrophobicContact CD1-CD1 4.07Å; L25-I29 HydrophobicContact CD1-CG1 4.45Å; L25-I29 HydrophobicContact CG-CD1 3.99Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.85Å; L25-I46 HydrophobicContact CD1-CD1 4.33Å; L25-I46 HydrophobicContact CD2-CD1 4.39Å; L25-I46 HydrophobicContact CD2-CG2 4.38Å
26V96.4Very high94.1Very high4 Ų468 Ų682%0.02436%0.363CS..Hα-helixtrans-60.9-44.7179.1178.60000110.4Y22 G23 N28 I29 V30 L43 L123 Y125Y22-V26 HydrophobicContact CD1-CG2 4.11Å; Y22-V26 HydrophobicContact CD2-CG2 4.45Å; Y22-V26 HydrophobicContact CE1-CG2 3.7Å; Y22-V26 HydrophobicContact CE2-CG2 4.03Å; Y22-V26 HydrophobicContact CG-CG2 4.48Å; Y22-V26 WeakPolarHBondContact O-CG2 3.44Å; Y22-V26 PolarHBondContact O-N 2.78Å; G23-V26 PolarHBondContact O-N 2.83Å; V26-N28 PolarHBondContact O-N 2.73Å; V26-I29 PolarHBondContact O-N 2.62Å; V26-I29 VanDerWaalsContact O-N 3.1Å; V26-V30 HydrophobicContact CG1-CG2 4Å; V26-V30 WeakPolarHBondContact O-CB 3.18Å; V26-V30 VanDerWaalsContact O-CG2 3.25Å; V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 2.59Å; V26-L43 HydrophobicContact CG2-CD2 3.97Å; V26-L123 HydrophobicContact CG1-CD2 4.32Å; V26-Y125 HydrophobicContact CB-CD2 4.41Å; V26-Y125 HydrophobicContact CB-CE2 3.84Å; V26-Y125 HydrophobicContact CG1-CD2 3.8Å; V26-Y125 HydrophobicContact CG1-CE2 3.64Å; V26-Y125 HydrophobicContact CG2-CD2 4.31Å; V26-Y125 HydrophobicContact CG2-CE2 3.88Å
27A95.3Very high94.6Very high47 Ų4766 Ų6639%0.38837%0.366SS..Hα-helixtrans-63.7-26.4177.400000113.6G23 L25 R31G23-A27 VanDerWaalsContact O-CB 3.27Å; G23-A27 WeakPolarHBondContact O-CB 3.49Å; G23-A27 PolarHBondContact O-N 3.31Å; L25-A27 VanDerWaalsContact C-N 3.34Å; L25-A27 PolarHBondContact O-N 2.82Å; A27-R31 WeakPolarHBondContact O-CG 3.26Å; A27-R31 PolarHBondContact O-NE 2.84Å
28N95.8Very high95Very high71 Ų7165.2 Ų65.238%0.3836%0.36SS..Hα-helixtrans-71.5-49.1170-69.7-14.7000110.6A24 L25 V26 V30 R31 D32A24-N28 PolarHBondContact O-N 2.83Å; A24-N28 PolarHBondContact O-ND2 2.89Å; A24-N28 PolarHBondContact O-OD1 2.89Å; L25-N28 WeakPolarHBondContact O-CB 3.45Å; L25-N28 PolarHBondContact O-N 3.11Å; L25-N28 VanDerWaalsContact O-N 3.15Å; V26-N28 PolarHBondContact O-N 2.73Å; N28-V30 VanDerWaalsContact C-N 3.35Å; N28-V30 PolarHBondContact O-N 2.86Å; N28-R31 WeakPolarHBondContact O-CB 3.39Å; N28-R31 PolarHBondContact O-N 2.84Å; N28-R31 PolarHBondContact OD1-NH2 3.31Å; N28-D32 PolarHBondContact O-N 2.88Å
29I96.4Very high95.3Very high12 Ų1260.7 Ų60.76%0.06234%0.339CS..Hα-helixtrans-61.6-43.8-179-61165.6000110.7L25 V26 R31 D32 F33 I39 Q42 L43 I46L25-I29 HydrophobicContact CD1-CD1 4.07Å; L25-I29 HydrophobicContact CD1-CG1 4.45Å; L25-I29 HydrophobicContact CG-CD1 3.99Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.85Å; V26-I29 PolarHBondContact O-N 2.62Å; V26-I29 VanDerWaalsContact O-N 3.1Å; I29-R31 PolarHBondContact O-N 3.22Å; I29-R31 VanDerWaalsContact O-N 3.15Å; I29-D32 PolarHBondContact O-N 3.01Å; I29-F33 HydrophobicContact CG2-CD2 3.64Å; I29-F33 HydrophobicContact CG2-CE2 4.06Å; I29-F33 WeakPolarHBondContact O-CD2 3.15Å; I29-F33 PolarHBondContact O-N 2.91Å; I29-F33 VanDerWaalsContact O-N 3.11Å; I29-I39 HydrophobicContact CG2-CB 4.29Å; I29-I39 HydrophobicContact CG2-CG1 4.3Å; I29-I39 HydrophobicContact CG2-CG2 3.84Å; I29-Q42 HydrophobicContact CG2-CB 4.03Å; I29-L43 HydrophobicContact CD1-CD2 3.59Å; I29-L43 HydrophobicContact CD1-CG 4.36Å; I29-I46 HydrophobicContact CD1-CD1 3.63Å
30V94.9Very high95.6Very high37 Ų3761.5 Ų61.522%0.22434%0.344CS..Hα-helixtrans-58.3-28176.8170.10000112.3V26 N28 I39 H120 L123V26-V30 HydrophobicContact CG1-CG2 4Å; V26-V30 WeakPolarHBondContact O-CB 3.18Å; V26-V30 VanDerWaalsContact O-CG2 3.25Å; V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 2.59Å; N28-V30 VanDerWaalsContact C-N 3.35Å; N28-V30 PolarHBondContact O-N 2.86Å; V30-I39 HydrophobicContact CB-CD1 4.41Å; V30-I39 HydrophobicContact CG2-CD1 4.05Å; V30-I39 HydrophobicContact CG2-CG2 4.3Å; V30-H120 WeakPolarHBondContact CG1-NE2 3.47Å; V30-L123 HydrophobicContact CG2-CD2 4.2Å
31R94.4Very high95.8Very high184 Ų18460.9 Ų60.969%0.69434%0.338SS*.Hα-helixtrans-82.5-22.5176-71.8-176.6-70.6159.5-6.8113.7A27 N28 I29A27-R31 WeakPolarHBondContact O-CG 3.26Å; A27-R31 PolarHBondContact O-NE 2.84Å; N28-R31 WeakPolarHBondContact O-CB 3.39Å; N28-R31 PolarHBondContact O-N 2.84Å; N28-R31 PolarHBondContact OD1-NH2 3.31Å; I29-R31 PolarHBondContact O-N 3.22Å; I29-R31 VanDerWaalsContact O-N 3.15Å
32D95.2Very high96Very high124 Ų12459.5 Ų59.566%0.66333%0.325SS*.Hα-helixtrans-93.9-16.3-175.6-67.8-19.7000112.7N28 I29N28-D32 PolarHBondContact O-N 2.88Å; I29-D32 PolarHBondContact O-N 3.01Å
33F94.6Very high96.1Very high59 Ų5958.9 Ų58.926%0.25932%0.323SS..  trans-129140.1-176.4-65.8-84.1000111.9I29 E38 I39 Q42I29-F33 HydrophobicContact CG2-CD2 3.64Å; I29-F33 HydrophobicContact CG2-CE2 4.06Å; I29-F33 WeakPolarHBondContact O-CD2 3.15Å; I29-F33 PolarHBondContact O-N 2.91Å; I29-F33 VanDerWaalsContact O-N 3.11Å; F33-E38 HydrophobicContact CB-CB 4.05Å; F33-E38 HydrophobicContact CD1-CB 3.67Å; F33-E38 HydrophobicContact CD1-CG 4.42Å; F33-E38 HydrophobicContact CG-CB 4.12Å; F33-I39 HydrophobicContact CB-CG1 3.73Å; F33-Q42 HydrophobicContact CD2-CG 4.16Å; F33-Q42 HydrophobicContact CE1-CG 3.96Å; F33-Q42 HydrophobicContact CE2-CB 4.46Å; F33-Q42 HydrophobicContact CE2-CG 3.59Å; F33-Q42 HydrophobicContact CZ-CG 3.47Å; F33-Q42 VanDerWaalsContact CZ-CG 3.47Å; F33-Q42 VanDerWaalsContact CZ-NE2 3.27Å
34D90.8Very high96.2Very high158 Ų15859.3 Ų59.385%0.84532%0.321SS*.SBendtrans-84.2-25.9-173.7-67.1-45.7000113
35T95.9Very high96.3Very high65 Ų6560.9 Ų60.940%0.39932%0.317SS..SBendtrans-120.9144.1-171.670.40000113.4A37 E38 I39T35-A37 PolarHBondContact O-N 3.32Å; T35-A37 VanDerWaalsContact O-N 3.15Å; T35-E38 PolarHBondContact N-OE2 2.9Å; T35-E38 PolarHBondContact O-N 2.92Å; T35-E38 VanDerWaalsContact O-N 3.12Å; T35-E38 VanDerWaalsContact OG1-CD 3.31Å; T35-E38 VanDerWaalsContact OG1-CG 3.27Å; T35-E38 WeakPolarHBondContact OG1-CG 3.09Å; T35-E38 PolarHBondContact OG1-N 3.43Å; T35-E38 PolarHBondContact OG1-OE2 3.47Å; T35-I39 WeakPolarHBondContact O-CG1 3.38Å; T35-I39 PolarHBondContact O-N 3.25Å; T35-I39 VanDerWaalsContact O-N 3.08Å
36D96.6Very high96.4Very high17 Ų1760.3 Ų60.39%0.09131%0.314CS..Hα-helixtrans-54.7-33.5174.1-72.5-12.1000112.4N40 H120 N122 L123D36-N40 WeakPolarHBondContact O-CB 3.36Å; D36-N40 PolarHBondContact O-N 3.16Å; D36-N40 PolarHBondContact O-ND2 2.92Å; D36-H120 WeakPolarHBondContact OD1-CA 3.26Å; D36-H120 IonicContact OD1-CE1 3.77Å; D36-H120 IonicContact OD1-CG 3.46Å; D36-H120 IonicContact OD1-ND1 2.68Å; D36-H120 PolarHBondContact OD1-ND1 2.91Å; D36-H120 WeakPolarHBondContact OD2-CA 3.32Å; D36-N122 HydrophobicContact CB-CB 4Å; D36-N122 VanDerWaalsContact OD2-CA 3.27Å; D36-N122 WeakPolarHBondContact OD2-CA 3.16Å; D36-N122 VanDerWaalsContact OD2-CB 3.26Å; D36-N122 WeakPolarHBondContact OD2-CB 3.32Å; D36-N122 PolarHBondContact OD2-N 3.02Å; D36-L123 PolarHBondContact OD2-N 3.39Å
37A96.9Very high96.5Very high71 Ų7160.1 Ų60.159%0.58731%0.313SS*.Hα-helixtrans-63.6-46.2178.300000112.2T35 N40 E41T35-A37 PolarHBondContact O-N 3.32Å; T35-A37 VanDerWaalsContact O-N 3.15Å; A37-N40 PolarHBondContact O-N 3.26Å; A37-E41 WeakPolarHBondContact O-CB 3.43Å; A37-E41 PolarHBondContact O-N 2.65Å
38E97Very high96.6Very high78 Ų7860.2 Ų60.236%0.36431%0.305SS..Hα-helixtrans-67.3-42.6177.7-69.3166.2136.300111.1F33 T35 N40 E41 Q42F33-E38 HydrophobicContact CB-CB 4.05Å; F33-E38 HydrophobicContact CD1-CB 3.67Å; F33-E38 HydrophobicContact CD1-CG 4.42Å; F33-E38 HydrophobicContact CG-CB 4.12Å; T35-E38 PolarHBondContact N-OE2 2.9Å; T35-E38 PolarHBondContact O-N 2.92Å; T35-E38 VanDerWaalsContact O-N 3.12Å; T35-E38 VanDerWaalsContact OG1-CD 3.31Å; T35-E38 VanDerWaalsContact OG1-CG 3.27Å; T35-E38 WeakPolarHBondContact OG1-CG 3.09Å; T35-E38 PolarHBondContact OG1-N 3.43Å; T35-E38 PolarHBondContact OG1-OE2 3.47Å; E38-N40 VanDerWaalsContact C-N 3.33Å; E38-N40 PolarHBondContact O-N 2.96Å; E38-E41 PolarHBondContact O-N 3.15Å; E38-Q42 VanDerWaalsContact O-CG 3.3Å; E38-Q42 WeakPolarHBondContact O-CG 3.49Å; E38-Q42 PolarHBondContact O-N 3.33Å
39I97.6Very high96.7Very high0 Ų061.4 Ų61.40%031%0.311CS..Hα-helixtrans-59.5-47.1176.2-61.4161.7000110I29 V30 F33 T35 E41 Q42 L43 L123I29-I39 HydrophobicContact CG2-CB 4.29Å; I29-I39 HydrophobicContact CG2-CG1 4.3Å; I29-I39 HydrophobicContact CG2-CG2 3.84Å; V30-I39 HydrophobicContact CB-CD1 4.41Å; V30-I39 HydrophobicContact CG2-CD1 4.05Å; V30-I39 HydrophobicContact CG2-CG2 4.3Å; F33-I39 HydrophobicContact CB-CG1 3.73Å; T35-I39 WeakPolarHBondContact O-CG1 3.38Å; T35-I39 PolarHBondContact O-N 3.25Å; T35-I39 VanDerWaalsContact O-N 3.08Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 3.02Å; I39-Q42 PolarHBondContact O-N 2.87Å; I39-L43 HydrophobicContact CG2-CD1 4.19Å; I39-L43 HydrophobicContact CG2-CG 4.47Å; I39-L43 WeakPolarHBondContact O-CG 3.31Å; I39-L43 PolarHBondContact O-N 3.05Å; I39-L123 HydrophobicContact CB-CD1 4.1Å; I39-L123 HydrophobicContact CG2-CD1 3.35Å
40N97.8Very high96.8Very high22 Ų2264.3 Ų64.312%0.11833%0.326CS..Hα-helixtrans-59.6-42.7177.5-74.1-25.3000111.9D36 A37 E38 Q42 D44 N122 L123 L124 N127D36-N40 WeakPolarHBondContact O-CB 3.36Å; D36-N40 PolarHBondContact O-N 3.16Å; D36-N40 PolarHBondContact O-ND2 2.92Å; A37-N40 PolarHBondContact O-N 3.26Å; E38-N40 VanDerWaalsContact C-N 3.33Å; E38-N40 PolarHBondContact O-N 2.96Å; N40-Q42 VanDerWaalsContact C-N 3.35Å; N40-D44 VanDerWaalsContact O-CB 3.26Å; N40-D44 WeakPolarHBondContact O-CB 3.25Å; N40-D44 PolarHBondContact O-N 2.66Å; N40-N122 PolarHBondContact ND2-O 2.68Å; N40-L123 WeakPolarHBondContact OD1-CD1 3.35Å; N40-L124 WeakPolarHBondContact OD1-CA 3.31Å; N40-L124 WeakPolarHBondContact OD1-CB 3.46Å; N40-L124 PolarHBondContact OD1-N 3.16Å; N40-N127 PolarHBondContact O-ND2 2.81Å
41E97.7Very high96.9Very high98 Ų9862.6 Ų62.646%0.45832%0.316SS..Hα-helixtrans-64-39.2176.8-169.8-173.7166.400111.8A37 E38 I39 D44 K45A37-E41 WeakPolarHBondContact O-CB 3.43Å; A37-E41 PolarHBondContact O-N 2.65Å; E38-E41 PolarHBondContact O-N 3.15Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 3.02Å; E41-D44 PolarHBondContact O-N 2.89Å; E41-K45 HydrophobicContact CG-CD 4.43Å; E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 2.7Å; E41-K45 WeakPolarHBondContact OE1-CE 3.33Å; E41-K45 IonicContact OE1-NZ 2.65Å; E41-K45 PolarHBondContact OE1-NZ 3.27Å
42Q97.9Very high97Very high55 Ų5556 Ų5626%0.25729%0.294SS..Hα-helixtrans-69.3-43.8177.9-67.3-64.4-7.600112.5I29 F33 E38 I39 N40 D44 K45 I46I29-Q42 HydrophobicContact CG2-CB 4.03Å; F33-Q42 HydrophobicContact CD2-CG 4.16Å; F33-Q42 HydrophobicContact CE1-CG 3.96Å; F33-Q42 HydrophobicContact CE2-CB 4.46Å; F33-Q42 HydrophobicContact CE2-CG 3.59Å; F33-Q42 HydrophobicContact CZ-CG 3.47Å; F33-Q42 VanDerWaalsContact CZ-CG 3.47Å; F33-Q42 VanDerWaalsContact CZ-NE2 3.27Å; E38-Q42 VanDerWaalsContact O-CG 3.3Å; E38-Q42 WeakPolarHBondContact O-CG 3.49Å; E38-Q42 PolarHBondContact O-N 3.33Å; I39-Q42 PolarHBondContact O-N 2.87Å; N40-Q42 VanDerWaalsContact C-N 3.35Å; Q42-D44 PolarHBondContact O-N 2.98Å; Q42-K45 PolarHBondContact O-N 3.41Å; Q42-I46 VanDerWaalsContact O-CG1 3.29Å; Q42-I46 WeakPolarHBondContact O-CG1 3.28Å; Q42-I46 PolarHBondContact O-N 3.01Å
43L98.2Very high97Very high0 Ų057.4 Ų57.40%029%0.294CS..Hα-helixtrans-58.8-41.2174.3-69.6175.9000111.2Y22 V26 I29 I39 I46 G47 L123 N127 V128Y22-L43 HydrophobicContact CE2-CD2 4.45Å; V26-L43 HydrophobicContact CG2-CD2 3.97Å; I29-L43 HydrophobicContact CD1-CD2 3.59Å; I29-L43 HydrophobicContact CD1-CG 4.36Å; I39-L43 HydrophobicContact CG2-CD1 4.19Å; I39-L43 HydrophobicContact CG2-CG 4.47Å; I39-L43 WeakPolarHBondContact O-CG 3.31Å; I39-L43 PolarHBondContact O-N 3.05Å; L43-I46 PolarHBondContact O-N 3.45Å; L43-G47 PolarHBondContact O-N 2.87Å; L43-L123 HydrophobicContact CD1-CD1 4.13Å; L43-N127 HydrophobicContact CB-CB 4.03Å; L43-V128 WeakPolarHBondContact O-CA 3.4Å
44D98.3Very high97Very high30 Ų3057.3 Ų57.316%0.1630%0.296CS..Hα-helixtrans-63.8-45.7176.6178.868.8000112.6N40 E41 Q42 G47 F48 G131 R134N40-D44 VanDerWaalsContact O-CB 3.26Å; N40-D44 WeakPolarHBondContact O-CB 3.25Å; N40-D44 PolarHBondContact O-N 2.66Å; E41-D44 PolarHBondContact O-N 2.89Å; Q42-D44 PolarHBondContact O-N 2.98Å; D44-G47 PolarHBondContact O-N 2.81Å; D44-F48 PolarHBondContact O-N 3.48Å; D44-G131 WeakPolarHBondContact O-CA 3.26Å; D44-G131 WeakPolarHBondContact OD1-CA 3.39Å; D44-G131 PolarHBondContact OD1-N 3.35Å; D44-R134 IonicContact OD1-CZ 2.65Å; D44-R134 IonicContact OD1-NE 3.65Å; D44-R134 PolarHBondContact OD1-NE 3.24Å; D44-R134 IonicContact OD1-NH2 3.23Å; D44-R134 PolarHBondContact OD1-NH2 2.9Å; D44-R134 IonicContact OD2-CZ 2.68Å; D44-R134 VanDerWaalsContact OD2-CZ 3.27Å; D44-R134 IonicContact OD2-NH1 2.7Å; D44-R134 IonicContact OD2-NH2 3.19Å; D44-R134 PolarHBondContact OD2-NH2 3.15Å
45K98.2Very high97.2Very high86 Ų8650.2 Ų50.237%0.37426%0.258SS..Hα-helixtrans-61-44.1174.6-76.2171.7-177164.30112.5E41 Q42 G47 F48 N49E41-K45 HydrophobicContact CG-CD 4.43Å; E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 2.7Å; E41-K45 WeakPolarHBondContact OE1-CE 3.33Å; E41-K45 IonicContact OE1-NZ 2.65Å; E41-K45 PolarHBondContact OE1-NZ 3.27Å; Q42-K45 PolarHBondContact O-N 3.41Å; K45-G47 VanDerWaalsContact C-N 3.32Å; K45-F48 PolarHBondContact O-N 2.93Å; K45-N49 PolarHBondContact O-N 3.39Å; K45-N49 VanDerWaalsContact O-N 3.16Å; K45-N49 PolarHBondContact O-ND2 3.43Å; K45-N49 VanDerWaalsContact O-ND2 3.12Å
46I98.1Very high97.1Very high48 Ų4853.1 Ų53.125%0.24627%0.267CS..Hα-helixtrans-60.8-47.1175.5-69.5166.6000109.6L25 I29 Q42 L43 F48 N49 I50 V128L25-I46 HydrophobicContact CD1-CD1 4.33Å; L25-I46 HydrophobicContact CD2-CD1 4.39Å; L25-I46 HydrophobicContact CD2-CG2 4.38Å; I29-I46 HydrophobicContact CD1-CD1 3.63Å; Q42-I46 VanDerWaalsContact O-CG1 3.29Å; Q42-I46 WeakPolarHBondContact O-CG1 3.28Å; Q42-I46 PolarHBondContact O-N 3.01Å; L43-I46 PolarHBondContact O-N 3.45Å; I46-F48 PolarHBondContact O-N 3Å; I46-N49 PolarHBondContact O-N 3.37Å; I46-I50 HydrophobicContact CG2-CD1 3.75Å; I46-I50 HydrophobicContact CG2-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.44Å; I46-I50 PolarHBondContact O-N 2.76Å; I46-V128 HydrophobicContact CG2-CG2 4.32Å
47G98.2Very high96.9Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-55.6-49.1176.200000112L43 D44 K45 N49 I50 G51 V128 A132L43-G47 PolarHBondContact O-N 2.87Å; D44-G47 PolarHBondContact O-N 2.81Å; K45-G47 VanDerWaalsContact C-N 3.32Å; G47-N49 VanDerWaalsContact C-N 3.35Å; G47-N49 PolarHBondContact O-N 3.13Å; G47-I50 WeakPolarHBondContact O-CB 3.48Å; G47-I50 PolarHBondContact O-N 2.9Å; G47-I50 VanDerWaalsContact O-N 3.13Å; G47-G51 PolarHBondContact O-N 2.92Å; G47-V128 VanDerWaalsContact CA-O 3.25Å; G47-V128 WeakPolarHBondContact CA-O 3.27Å; G47-A132 VanDerWaalsContact C-N 3.26Å; G47-A132 WeakPolarHBondContact O-CA 3.19Å; G47-A132 PolarHBondContact O-N 3.06Å
48F98.5Very high96.8Very high49 Ų4952.9 Ų52.922%0.21526%0.255CS..Hα-helixtrans-55.3-48.9179-173.7-89.4000112.1D44 K45 I46 I50 G51 L52 G131 R134 G135 H138D44-F48 PolarHBondContact O-N 3.48Å; K45-F48 PolarHBondContact O-N 2.93Å; I46-F48 PolarHBondContact O-N 3Å; F48-I50 VanDerWaalsContact C-N 3.33Å; F48-I50 PolarHBondContact O-N 3.24Å; F48-G51 PolarHBondContact O-N 3.48Å; F48-G51 VanDerWaalsContact O-N 3.16Å; F48-L52 HydrophobicContact CD1-CD1 4.03Å; F48-L52 HydrophobicContact CD1-CG 4.3Å; F48-L52 HydrophobicContact CE1-CD1 3.71Å; F48-L52 HydrophobicContact CE1-CD2 4.3Å; F48-L52 HydrophobicContact CE1-CG 4.04Å; F48-L52 HydrophobicContact CZ-CD2 4.47Å; F48-L52 PolarHBondContact O-N 2.88Å; F48-G131 WeakPolarHBondContact CA-O 3.31Å; F48-G131 VanDerWaalsContact N-C 3.28Å; F48-G131 PolarHBondContact N-O 3.28Å; F48-R134 HydrophobicContact CD2-CB 4.05Å; F48-R134 HydrophobicContact CE2-CB 4.41Å; F48-G135 VanDerWaalsContact CD2-CA 3.46Å; F48-G135 WeakPolarHBondContact O-CA 3.15Å; F48-H138 HydrophobicContact CE2-CB 4.08Å; F48-H138 HydrophobicContact CZ-CB 4.05Å; F48-H138 AromaticContact CZ-CG 3.87Å
49N98.1Very high96.6Very high97 Ų9752.2 Ų52.252%0.51925%0.253SS..Hα-helixtrans-65.3-34.8178.6-70.2-41.6000113K45 I46 G47K45-N49 PolarHBondContact O-N 3.39Å; K45-N49 VanDerWaalsContact O-N 3.16Å; K45-N49 PolarHBondContact O-ND2 3.43Å; K45-N49 VanDerWaalsContact O-ND2 3.12Å; I46-N49 PolarHBondContact O-N 3.37Å; G47-N49 VanDerWaalsContact C-N 3.35Å; G47-N49 PolarHBondContact O-N 3.13Å
50I97.1Very high96.4Very high73 Ų7356.3 Ų56.337%0.37429%0.287SS..Hα-helixtrans-65.3-46.9172.1-69.6169.4000109.8I46 G47 F48 L52 K53 L54 V128I46-I50 HydrophobicContact CG2-CD1 3.75Å; I46-I50 HydrophobicContact CG2-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.44Å; I46-I50 PolarHBondContact O-N 2.76Å; G47-I50 WeakPolarHBondContact O-CB 3.48Å; G47-I50 PolarHBondContact O-N 2.9Å; G47-I50 VanDerWaalsContact O-N 3.13Å; F48-I50 VanDerWaalsContact C-N 3.33Å; F48-I50 PolarHBondContact O-N 3.24Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 3.47Å; I50-K53 PolarHBondContact O-N 2.88Å; I50-L54 HydrophobicContact CG2-CD1 3.59Å; I50-L54 HydrophobicContact CG2-CG 3.77Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 2.9Å; I50-V128 HydrophobicContact CD1-CG2 4.24Å
51G97.4Very high96.1Very high1 Ų159.9 Ų59.91%0.0130%0.299CS..Hα-helixtrans-56.4-43179.700000113.3G47 F48 K53 L54 V55 A132 A136G47-G51 PolarHBondContact O-N 2.92Å; F48-G51 PolarHBondContact O-N 3.48Å; F48-G51 VanDerWaalsContact O-N 3.16Å; G51-K53 PolarHBondContact O-N 2.94Å; G51-L54 PolarHBondContact O-N 3.32Å; G51-V55 PolarHBondContact O-N 3.03Å; G51-V55 VanDerWaalsContact O-N 3.14Å; G51-A132 WeakPolarHBondContact CA-O 3.25Å; G51-A136 WeakPolarHBondContact O-CA 3.18Å
52L96.4Very high95.7Very high45 Ų4558.5 Ų58.524%0.23631%0.311CS..Hα-helixtrans-56.6-35.3175.2-72.1175.6000112.8F48 I50 V55 G135 N139F48-L52 HydrophobicContact CD1-CD1 4.03Å; F48-L52 HydrophobicContact CD1-CG 4.3Å; F48-L52 HydrophobicContact CE1-CD1 3.71Å; F48-L52 HydrophobicContact CE1-CD2 4.3Å; F48-L52 HydrophobicContact CE1-CG 4.04Å; F48-L52 HydrophobicContact CZ-CD2 4.47Å; F48-L52 PolarHBondContact O-N 2.88Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 3.47Å; L52-V55 VanDerWaalsContact O-CG1 3.26Å; L52-V55 WeakPolarHBondContact O-CG1 3.36Å; L52-G135 WeakPolarHBondContact CD2-O 3.23Å; L52-N139 HydrophobicContact CD2-CB 4.14Å; L52-N139 PolarHBondContact O-ND2 3.4Å
53K95.6Very high95.3Very high154 Ų15457 Ų5767%0.6730%0.304SS*.Hα-helixtrans-85.7-38178.6-64.2-175.1180-175.80112.7I50 G51 V55 E56I50-K53 PolarHBondContact O-N 2.88Å; G51-K53 PolarHBondContact O-N 2.94Å; K53-V55 VanDerWaalsContact C-N 3.28Å; K53-V55 PolarHBondContact O-N 3.25Å; K53-E56 WeakPolarHBondContact O-CB 3.32Å; K53-E56 PolarHBondContact O-N 3.29Å
54L94.7Very high94.7Very high56 Ų5660.7 Ų60.729%0.29333%0.331SS..Hα-helixtrans-62.4-37.4-179.3-73.6-177.6000112I50 G51 E56 D57 Y58 F84I50-L54 HydrophobicContact CG2-CD1 3.59Å; I50-L54 HydrophobicContact CG2-CG 3.77Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 2.9Å; G51-L54 PolarHBondContact O-N 3.32Å; L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 3.45Å; L54-D57 PolarHBondContact O-N 3.01Å; L54-Y58 PolarHBondContact O-N 3.48Å; L54-F84 HydrophobicContact CB-CE2 4.09Å; L54-F84 HydrophobicContact CB-CZ 4.11Å; L54-F84 HydrophobicContact CD1-CD2 4.3Å; L54-F84 HydrophobicContact CD1-CG 4.37Å; L54-F84 HydrophobicContact CD2-CD1 3.79Å; L54-F84 HydrophobicContact CD2-CE1 3.8Å; L54-F84 HydrophobicContact CD2-CG 4.18Å; L54-F84 HydrophobicContact CD2-CZ 4.2Å; L54-F84 WeakPolarHBondContact O-CZ 3.05Å
55V94.9Very high93.8Very high9 Ų960.5 Ų60.56%0.05534%0.335CS..Hα-helixtrans-65.1-31.1179.469.80000112.1G51 L52 K53 D57 Y58 L59 A136 N139 V140G51-V55 PolarHBondContact O-N 3.03Å; G51-V55 VanDerWaalsContact O-N 3.14Å; L52-V55 VanDerWaalsContact O-CG1 3.26Å; L52-V55 WeakPolarHBondContact O-CG1 3.36Å; K53-V55 VanDerWaalsContact C-N 3.28Å; K53-V55 PolarHBondContact O-N 3.25Å; V55-D57 PolarHBondContact O-N 3.13Å; V55-Y58 WeakPolarHBondContact O-CB 3.49Å; V55-Y58 PolarHBondContact O-N 3.09Å; V55-L59 HydrophobicContact CG2-CD1 4.18Å; V55-L59 HydrophobicContact CG2-CG 4.29Å; V55-L59 WeakPolarHBondContact O-CB 3.27Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 3.03Å; V55-A136 HydrophobicContact CB-CB 4.09Å; V55-N139 HydrophobicContact CG1-CB 3.44Å; V55-N139 VanDerWaalsContact CG1-CB 3.44Å; V55-N139 WeakPolarHBondContact CG1-ND2 3.48Å; V55-V140 HydrophobicContact CG2-CG1 3.9Å
56E93.6Very high93Very high126 Ų12665.9 Ų65.959%0.58935%0.354SS*.Hα-helixtrans-62-45173.7-61.1178.4176.600111.4K53 L54 L59 A60K53-E56 WeakPolarHBondContact O-CB 3.32Å; K53-E56 PolarHBondContact O-N 3.29Å; L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 3.45Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-A60 VanDerWaalsContact O-CB 3.31Å; E56-A60 WeakPolarHBondContact O-CB 3.47Å; E56-A60 PolarHBondContact O-N 3.28Å
57D93Very high92.3Very high58 Ų5864.6 Ų64.631%0.3135%0.348SS..Hα-helixtrans-66.6-38.7174.7-173.868.1000111.6L54 V55 L59 A60 R61 F84L54-D57 PolarHBondContact O-N 3.01Å; V55-D57 PolarHBondContact O-N 3.13Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 2.81Å; D57-A60 PolarHBondContact O-N 3.34Å; D57-R61 WeakPolarHBondContact O-CD 3.38Å; D57-R61 VanDerWaalsContact O-CG 3.26Å; D57-R61 WeakPolarHBondContact O-CG 3.29Å; D57-R61 PolarHBondContact O-N 2.9Å; D57-R61 IonicContact OD1-NE 3.27Å; D57-R61 IonicContact OD1-NH2 2.64Å; D57-R61 IonicContact OD2-CZ 3.67Å; D57-R61 IonicContact OD2-NE 3.93Å; D57-R61 PolarHBondContact OD2-NE 3.18Å; D57-R61 IonicContact OD2-NH2 2.57Å; D57-R61 PolarHBondContact OD2-NH2 2.88Å; D57-F84 HydrophobicContact CB-CE1 4.44Å; D57-F84 HydrophobicContact CB-CZ 4.48Å; D57-F84 WeakPolarHBondContact OD2-CE1 3.49Å
58Y94.5Very high91.7Very high26 Ų2670.5 Ų70.510%0.10238%0.38CS..Hα-helixtrans-59-45.1175.2-177.7-97.8000111.5L54 V55 R61 N63 K79 I83 F84L54-Y58 PolarHBondContact O-N 3.48Å; V55-Y58 WeakPolarHBondContact O-CB 3.49Å; V55-Y58 PolarHBondContact O-N 3.09Å; Y58-R61 PolarHBondContact O-N 3.17Å; Y58-N63 HydrophobicContact CD1-CB 3.68Å; Y58-N63 HydrophobicContact CD2-CB 4.32Å; Y58-N63 HydrophobicContact CE1-CB 3.27Å; Y58-N63 HydrophobicContact CE2-CB 3.95Å; Y58-N63 HydrophobicContact CG-CB 4.19Å; Y58-N63 VanDerWaalsContact CZ-CB 3.42Å; Y58-N63 WeakPolarHBondContact O-CB 3.37Å; Y58-N63 PolarHBondContact O-ND2 3.09Å; Y58-K79 HydrophobicContact CE2-CB 4.34Å; Y58-K79 HydrophobicContact CE2-CD 4.32Å; Y58-K79 HydrophobicContact CE2-CG 4.23Å; Y58-I83 HydrophobicContact CD2-CD1 3.85Å; Y58-I83 HydrophobicContact CE2-CD1 3.86Å; Y58-F84 HydrophobicContact CD2-CE2 4.39Å
59L93.8Very high91.3Very high64 Ų6472 Ų7234%0.33539%0.39SS..Hα-helixtrans-70.5-40178-64.8170.8000111.9V55 E56 D57 R61 G62 G65V55-L59 HydrophobicContact CG2-CD1 4.18Å; V55-L59 HydrophobicContact CG2-CG 4.29Å; V55-L59 WeakPolarHBondContact O-CB 3.27Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 3.03Å; E56-L59 PolarHBondContact O-N 2.93Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 2.81Å; L59-R61 PolarHBondContact O-N 3.48Å; L59-G62 PolarHBondContact O-N 3.07Å; L59-G65 VanDerWaalsContact CD2-N 3.33Å
60A93Very high91Very high86 Ų8668.1 Ų68.171%0.71137%0.369SS*.Hα-helixtrans-61.2-24.9177.800000113.1E56 D57 G62E56-A60 VanDerWaalsContact O-CB 3.31Å; E56-A60 WeakPolarHBondContact O-CB 3.47Å; E56-A60 PolarHBondContact O-N 3.28Å; D57-A60 PolarHBondContact O-N 3.34Å; A60-G62 PolarHBondContact O-N 3.04Å
61R91.4Very high90.9Very high97 Ų9770.6 Ų70.637%0.36638%0.377SS..THydrogen-bonded Turntrans-76.72.2172.7-67.6164.8-173.3-80.2-4.7114S10 D57 Y58 L59S10-R61 VanDerWaalsContact OG-CZ 3.25Å; S10-R61 PolarHBondContact OG-NH1 3.36Å; S10-R61 PolarHBondContact OG-NH2 2.96Å; D57-R61 WeakPolarHBondContact O-CD 3.38Å; D57-R61 VanDerWaalsContact O-CG 3.26Å; D57-R61 WeakPolarHBondContact O-CG 3.29Å; D57-R61 PolarHBondContact O-N 2.9Å; D57-R61 IonicContact OD1-NE 3.27Å; D57-R61 IonicContact OD1-NH2 2.64Å; D57-R61 IonicContact OD2-CZ 3.67Å; D57-R61 IonicContact OD2-NE 3.93Å; D57-R61 PolarHBondContact OD2-NE 3.18Å; D57-R61 IonicContact OD2-NH2 2.57Å; D57-R61 PolarHBondContact OD2-NH2 2.88Å; Y58-R61 PolarHBondContact O-N 3.17Å; L59-R61 PolarHBondContact O-N 3.48Å
62G88.8Confident90.7Very high69 Ų6974 Ų7471%0.71139%0.392SS*.THydrogen-bonded Turntrans82.414.8-179.800000114.3L59 A60L59-G62 PolarHBondContact O-N 3.07Å; A60-G62 PolarHBondContact O-N 3.04Å
63N89.9Confident90.7Very high22 Ų2271.9 Ų71.912%0.11838%0.382CS..  trans-75.8147.3171.7-58.1-64.6000110.4Y58 G65 K79Y58-N63 HydrophobicContact CD1-CB 3.68Å; Y58-N63 HydrophobicContact CD2-CB 4.32Å; Y58-N63 HydrophobicContact CE1-CB 3.27Å; Y58-N63 HydrophobicContact CE2-CB 3.95Å; Y58-N63 HydrophobicContact CG-CB 4.19Å; Y58-N63 VanDerWaalsContact CZ-CB 3.42Å; Y58-N63 WeakPolarHBondContact O-CB 3.37Å; Y58-N63 PolarHBondContact O-ND2 3.09Å; N63-G65 PolarHBondContact O-N 2.99Å; N63-K79 WeakPolarHBondContact OD1-CE 3.44Å; N63-K79 PolarHBondContact OD1-NZ 3.26Å
64S85.3Confident90.7Very high79 Ų7964.6 Ų64.655%0.55235%0.35SS*.  trans-66.3134178-171.70000110.8R66S64-R66 PolarHBondContact OG-N 3.42Å; S64-R66 VanDerWaalsContact OG-N 3.16Å; S64-R66 PolarHBondContact OG-O 3.23Å
65G79.9Confident90.8Very high25 Ų2567.1 Ų67.126%0.25836%0.36SS..SBendtrans-89.7-11.416700000113.8L59 N63 V140L59-G65 VanDerWaalsContact CD2-N 3.33Å; N63-G65 PolarHBondContact O-N 2.99Å; G65-V140 VanDerWaalsContact O-CB 3.31Å; G65-V140 WeakPolarHBondContact O-CB 3.43Å; G65-V140 WeakPolarHBondContact O-CG1 3.2Å
66R79.9Confident90.8Very high200 Ų20067.7 Ų67.776%0.75537%0.366SS*.  trans-107.3121.2179.1-68.3-177.3176.6172.9-1.1109.1S64S64-R66 PolarHBondContact OG-N 3.42Å; S64-R66 VanDerWaalsContact OG-N 3.16Å; S64-R66 PolarHBondContact OG-O 3.23Å
67C84.5Confident91Very high20 Ų2062.5 Ų62.514%0.13534%0.343CS..  trans-107.5133.3169.6-59.50000108.7E72 T73C67-E72 WeakPolarHBondContact CA-OE2 3.47Å; C67-E72 HydrophobicContact CB-CB 3.96Å; C67-T73 VanDerWaalsContact CB-OG1 3.25Å; C67-T73 WeakPolarHBondContact CB-OG1 3.32Å
68N85.8Confident91.1Very high124 Ų12460.8 Ų60.866%0.66333%0.334SS*.SBendtrans-74-40.8-179.6-61-55.9000111.2E72 R168N68-E72 PolarHBondContact N-OE2 3.36Å; N68-E72 PolarHBondContact ND2-OE1 3.32Å; N68-E72 PolarHBondContact ND2-OE2 3.41Å; N68-E72 VanDerWaalsContact ND2-OE2 3.12Å; N68-R168 PolarHBondContact O-NH2 3.2Å
69D90.3Very high91.2Very high82 Ų8264.4 Ų64.444%0.43935%0.35SS..SBendtrans-134.6174178.265.636.2000111.4K71 E72 T73D69-K71 PolarHBondContact O-N 3.5Å; D69-K71 WeakPolarHBondContact OD1-CA 3.48Å; D69-K71 VanDerWaalsContact OD1-CB 3.3Å; D69-K71 WeakPolarHBondContact OD1-CB 3.4Å; D69-K71 PolarHBondContact OD1-N 3.12Å; D69-E72 PolarHBondContact O-N 3.11Å; D69-E72 PolarHBondContact OD1-N 2.86Å; D69-T73 PolarHBondContact O-N 3.46Å; D69-T73 PolarHBondContact O-OG1 3.36Å
70F92Very high91.2Very high14 Ų1461.9 Ų61.96%0.06134%0.34CS..Hα-helixtrans-76-13.8-176.8-151.7-131.8000113.3T73 A74 G98 D99 F101 V144 V163 F165F70-T73 HydrophobicContact CD2-CG2 4.03Å; F70-T73 HydrophobicContact CE2-CG2 3.97Å; F70-T73 WeakPolarHBondContact O-CB 3.27Å; F70-T73 PolarHBondContact O-N 3.15Å; F70-A74 PolarHBondContact O-N 2.91Å; F70-G98 VanDerWaalsContact CB-O 3.23Å; F70-G98 WeakPolarHBondContact CB-O 3.21Å; F70-D99 VanDerWaalsContact CE1-O 3.31Å; F70-D99 WeakPolarHBondContact CE1-O 3.33Å; F70-F101 AromaticContact CD1-CD1 3.44Å; F70-F101 HydrophobicContact CD1-CD1 3.44Å; F70-F101 VanDerWaalsContact CD1-CD1 3.44Å; F70-F101 AromaticContact CD1-CE1 3.64Å; F70-F101 HydrophobicContact CD1-CE1 3.64Å; F70-F101 HydrophobicContact CD2-CE1 4.35Å; F70-F101 AromaticContact CE1-CD1 3.26Å; F70-F101 HydrophobicContact CE1-CD1 3.26Å; F70-F101 AromaticContact CE1-CE1 3.26Å; F70-F101 HydrophobicContact CE1-CE1 3.26Å; F70-F101 HydrophobicContact CE1-CG 4.46Å; F70-F101 HydrophobicContact CE1-CZ 4.46Å; F70-F101 HydrophobicContact CE2-CE1 4.03Å; F70-F101 HydrophobicContact CG-CD1 4.29Å; F70-F101 HydrophobicContact CG-CE1 4.17Å; F70-F101 AromaticContact CZ-CD1 4Å; F70-F101 HydrophobicContact CZ-CD1 4Å; F70-F101 AromaticContact CZ-CE1 3.48Å; F70-F101 HydrophobicContact CZ-CE1 3.48Å; F70-F101 VanDerWaalsContact CZ-CE1 3.48Å; F70-F101 HydrophobicContact CZ-CZ 4.44Å; F70-V144 HydrophobicContact CE2-CG1 3.96Å; F70-V144 HydrophobicContact CZ-CG1 4.23Å; F70-V163 HydrophobicContact CZ-CB 4.4Å; F70-V163 HydrophobicContact CZ-CG1 3.84Å; F70-F165 HydrophobicContact CD1-CB 4.4Å; F70-F165 HydrophobicContact CD2-CB 4.12Å; F70-F165 HydrophobicContact CE1-CB 4.24Å; F70-F165 HydrophobicContact CE2-CB 3.96Å; F70-F165 HydrophobicContact CG-CB 4.35Å; F70-F165 HydrophobicContact CZ-CB 4.02Å
71K93.5Very high91.3Very high126 Ų12658.5 Ų58.555%0.54831%0.309SS..Hα-helixtrans-73.3-45.3173.4-175.3-176.5175.5-174.20110.3D69 T73 A74 E75 F94D69-K71 PolarHBondContact O-N 3.5Å; D69-K71 WeakPolarHBondContact OD1-CA 3.48Å; D69-K71 VanDerWaalsContact OD1-CB 3.3Å; D69-K71 WeakPolarHBondContact OD1-CB 3.4Å; D69-K71 PolarHBondContact OD1-N 3.12Å; K71-T73 PolarHBondContact O-N 3.07Å; K71-A74 WeakPolarHBondContact O-CB 3.34Å; K71-A74 PolarHBondContact O-N 3.27Å; K71-A74 VanDerWaalsContact O-N 3.16Å; K71-E75 PolarHBondContact O-N 3.16Å; K71-E75 VanDerWaalsContact O-N 3.11Å; K71-F94 HydrophobicContact CB-CE1 4.31Å; K71-F94 HydrophobicContact CB-CZ 4.3Å; K71-F94 HydrophobicContact CG-CZ 4.11Å
72E94.2Very high91.4Very high71 Ų7160.2 Ų60.233%0.33232%0.32SS..Hα-helixtrans-59.2-38.2170.3-71.7-177.9-174.800111.2C67 N68 D69 E75 A76C67-E72 WeakPolarHBondContact CA-OE2 3.47Å; C67-E72 HydrophobicContact CB-CB 3.96Å; N68-E72 PolarHBondContact N-OE2 3.36Å; N68-E72 PolarHBondContact ND2-OE1 3.32Å; N68-E72 PolarHBondContact ND2-OE2 3.41Å; N68-E72 VanDerWaalsContact ND2-OE2 3.12Å; D69-E72 PolarHBondContact O-N 3.11Å; D69-E72 PolarHBondContact OD1-N 2.86Å; E72-E75 PolarHBondContact O-N 3.36Å; E72-A76 WeakPolarHBondContact O-CB 3.37Å; E72-A76 PolarHBondContact O-N 3.4Å
73T95.1Very high91.6Very high2 Ų259.9 Ų59.91%0.01230%0.301CS..Hα-helixtrans-61.4-44.5174.1-56.90000111.9C67 D69 F70 K71 E75 A76 V77 L137 L142C67-T73 VanDerWaalsContact CB-OG1 3.25Å; C67-T73 WeakPolarHBondContact CB-OG1 3.32Å; D69-T73 PolarHBondContact O-N 3.46Å; D69-T73 PolarHBondContact O-OG1 3.36Å; F70-T73 HydrophobicContact CD2-CG2 4.03Å; F70-T73 HydrophobicContact CE2-CG2 3.97Å; F70-T73 WeakPolarHBondContact O-CB 3.27Å; F70-T73 PolarHBondContact O-N 3.15Å; K71-T73 PolarHBondContact O-N 3.07Å; T73-E75 VanDerWaalsContact C-N 3.33Å; T73-E75 PolarHBondContact O-N 3.42Å; T73-A76 PolarHBondContact O-N 3.28Å; T73-V77 HydrophobicContact CG2-CG2 4.45Å; T73-V77 WeakPolarHBondContact O-CG2 3.44Å; T73-V77 PolarHBondContact O-N 2.96Å; T73-L137 HydrophobicContact CG2-CD1 3.88Å; T73-L137 HydrophobicContact CG2-CD2 3.59Å; T73-L137 HydrophobicContact CG2-CG 4.43Å; T73-L142 HydrophobicContact CG2-CD1 4.21Å
74A96.8Very high91.7Very high0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-59.6-44.1177.400000111.9F70 K71 V77 V78 I91 F94 F101F70-A74 PolarHBondContact O-N 2.91Å; K71-A74 WeakPolarHBondContact O-CB 3.34Å; K71-A74 PolarHBondContact O-N 3.27Å; K71-A74 VanDerWaalsContact O-N 3.16Å; A74-V77 PolarHBondContact O-N 2.97Å; A74-V78 WeakPolarHBondContact O-CG2 3.15Å; A74-V78 PolarHBondContact O-N 3.33Å; A74-I91 HydrophobicContact CB-CD1 3.76Å; A74-I91 HydrophobicContact CB-CG1 4.24Å; A74-I91 HydrophobicContact CB-CG2 3.93Å; A74-F94 HydrophobicContact CB-CE1 4.38Å; A74-F94 HydrophobicContact CB-CZ 3.8Å; A74-F101 HydrophobicContact CB-CD1 3.76Å; A74-F101 HydrophobicContact CB-CD2 3.85Å; A74-F101 HydrophobicContact CB-CE1 3.62Å; A74-F101 HydrophobicContact CB-CE2 3.71Å; A74-F101 HydrophobicContact CB-CG 3.89Å; A74-F101 HydrophobicContact CB-CZ 3.61Å
75E95.9Very high92Very high110 Ų11060.2 Ų60.251%0.51429%0.293SS..Hα-helixtrans-64.1-40.4176.7-68.2177.2-176.400112.2K71 E72 T73 V78 K79 I91K71-E75 PolarHBondContact O-N 3.16Å; K71-E75 VanDerWaalsContact O-N 3.11Å; E72-E75 PolarHBondContact O-N 3.36Å; T73-E75 VanDerWaalsContact C-N 3.33Å; T73-E75 PolarHBondContact O-N 3.42Å; E75-V78 PolarHBondContact O-N 2.87Å; E75-K79 PolarHBondContact O-N 3.03Å; E75-I91 HydrophobicContact CG-CD1 4.23Å
76A95.9Very high92.6Very high21 Ų2162 Ų6217%0.17431%0.312CS..Hα-helixtrans-63.7-41.2175.200000112.1E72 T73 K79 G80E72-A76 WeakPolarHBondContact O-CB 3.37Å; E72-A76 PolarHBondContact O-N 3.4Å; T73-A76 PolarHBondContact O-N 3.28Å; A76-K79 WeakPolarHBondContact O-CB 3.42Å; A76-K79 PolarHBondContact O-N 2.94Å; A76-G80 PolarHBondContact O-N 3.39Å
77V96.6Very high93.2Very high17 Ų1753.7 Ų53.710%0.10328%0.282CS..Hα-helixtrans-62.7-46.8175.8173.60000110.4T73 A74 K79 G80 F81 L103 I133 L137T73-V77 HydrophobicContact CG2-CG2 4.45Å; T73-V77 WeakPolarHBondContact O-CG2 3.44Å; T73-V77 PolarHBondContact O-N 2.96Å; A74-V77 PolarHBondContact O-N 2.97Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.18Å; V77-G80 WeakPolarHBondContact O-CA 3.15Å; V77-G80 PolarHBondContact O-N 3.31Å; V77-F81 HydrophobicContact CG1-CD2 3.8Å; V77-F81 HydrophobicContact CG1-CE2 3.68Å; V77-F81 WeakPolarHBondContact O-CD2 3.31Å; V77-F81 PolarHBondContact O-N 3.14Å; V77-L103 HydrophobicContact CG1-CD1 3.62Å; V77-I133 HydrophobicContact CG1-CD1 4.46Å; V77-I133 HydrophobicContact CG1-CG1 4.19Å; V77-L137 HydrophobicContact CG2-CD1 4.25Å; V77-L137 HydrophobicContact CG2-CD2 4.35Å
78V96.8Very high93.8Very high21 Ų2157 Ų5713%0.12730%0.302CS..Hα-helixtrans-57.6-41.6174.7169.60000111.9A74 E75 G80 F81 K82 T88 P89 I91 L103A74-V78 WeakPolarHBondContact O-CG2 3.15Å; A74-V78 PolarHBondContact O-N 3.33Å; E75-V78 PolarHBondContact O-N 2.87Å; V78-G80 VanDerWaalsContact C-N 3.32Å; V78-G80 PolarHBondContact O-N 3.14Å; V78-F81 PolarHBondContact O-N 2.86Å; V78-K82 PolarHBondContact O-N 3.32Å; V78-T88 HydrophobicContact CG1-CG2 3.7Å; V78-P89 WeakPolarHBondContact CG2-O 3.34Å; V78-I91 HydrophobicContact CG2-CD1 3.66Å; V78-I91 HydrophobicContact CG2-CG1 3.49Å; V78-I91 VanDerWaalsContact CG2-CG1 3.49Å; V78-L103 HydrophobicContact CG2-CD2 3.83Å
79K95.2Very high94.3Very high102 Ų10251.4 Ų51.444%0.44327%0.272SS..Hα-helixtrans-62-40.8174.8-168.8178.1-170-179.90111.8Y58 N63 E75 A76 V77 K82 I83Y58-K79 HydrophobicContact CE2-CB 4.34Å; Y58-K79 HydrophobicContact CE2-CD 4.32Å; Y58-K79 HydrophobicContact CE2-CG 4.23Å; N63-K79 WeakPolarHBondContact OD1-CE 3.44Å; N63-K79 PolarHBondContact OD1-NZ 3.26Å; E75-K79 PolarHBondContact O-N 3.03Å; A76-K79 WeakPolarHBondContact O-CB 3.42Å; A76-K79 PolarHBondContact O-N 2.94Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.18Å; K79-K82 PolarHBondContact O-N 3.38Å; K79-I83 HydrophobicContact CG-CD1 4.1Å; K79-I83 VanDerWaalsContact O-CG1 3.31Å; K79-I83 WeakPolarHBondContact O-CG1 3.26Å; K79-I83 PolarHBondContact O-N 3.38Å
80G95.2Very high94.7Very high12 Ų1250.7 Ų50.712%0.12427%0.271CS..Hα-helixtrans-58.4-49.3173.300000112.3A76 V77 V78 K82 I83 F84A76-G80 PolarHBondContact O-N 3.39Å; V77-G80 WeakPolarHBondContact O-CA 3.15Å; V77-G80 PolarHBondContact O-N 3.31Å; V78-G80 VanDerWaalsContact C-N 3.32Å; V78-G80 PolarHBondContact O-N 3.14Å; G80-K82 VanDerWaalsContact C-N 3.26Å; G80-K82 PolarHBondContact O-N 3.23Å; G80-I83 PolarHBondContact O-N 3.49Å; G80-I83 VanDerWaalsContact O-N 3.09Å; G80-F84 WeakPolarHBondContact O-CD2 3.38Å; G80-F84 PolarHBondContact O-N 2.92Å
81F95.1Very high94.9Very high14 Ų1452.4 Ų52.46%0.06128%0.28CS..Hα-helixtrans-54.9-42.5174.7-88.6-85.3000112.3V77 V78 I83 L85 G86 I87 P89 L103 L105 L129 I133V77-F81 HydrophobicContact CG1-CD2 3.8Å; V77-F81 HydrophobicContact CG1-CE2 3.68Å; V77-F81 WeakPolarHBondContact O-CD2 3.31Å; V77-F81 PolarHBondContact O-N 3.14Å; V78-F81 PolarHBondContact O-N 2.86Å; F81-I83 PolarHBondContact O-N 3.2Å; F81-L85 HydrophobicContact CD1-CD1 3.75Å; F81-L85 HydrophobicContact CE1-CD1 3.86Å; F81-L85 CarbonylContact O-C 3.55Å; F81-L85 WeakPolarHBondContact O-CA 3.47Å; F81-L85 WeakPolarHBondContact O-CB 3.42Å; F81-L85 PolarHBondContact O-N 2.9Å; F81-G86 PolarHBondContact O-N 3.26Å; F81-G86 VanDerWaalsContact O-N 3.13Å; F81-I87 CarbonylContact C-O 3.1Å; F81-I87 HydrophobicContact CB-CG1 4.17Å; F81-I87 HydrophobicContact CD1-CD1 3.75Å; F81-I87 HydrophobicContact CD1-CG1 3.81Å; F81-I87 HydrophobicContact CE1-CD1 4.27Å; F81-I87 HydrophobicContact CG-CG1 4.45Å; F81-P89 HydrophobicContact CB-CG 3.87Å; F81-P89 HydrophobicContact CD1-CG 3.92Å; F81-P89 HydrophobicContact CD2-CG 3.95Å; F81-P89 HydrophobicContact CE1-CG 4.46Å; F81-P89 HydrophobicContact CG-CG 3.64Å; F81-L103 HydrophobicContact CE2-CD1 4.02Å; F81-L105 HydrophobicContact CE1-CD2 4.11Å; F81-L129 HydrophobicContact CE1-CD1 4.29Å; F81-L129 HydrophobicContact CE1-CD2 4.28Å; F81-I133 HydrophobicContact CE2-CD1 3.97Å; F81-I133 HydrophobicContact CE2-CG1 4.13Å; F81-I133 HydrophobicContact CZ-CD1 4.08Å; F81-I133 HydrophobicContact CZ-CG1 4.44Å
82K93.5Very high95.1Very high134 Ų13448.1 Ų48.158%0.58327%0.266SS*.Hα-helixtrans-65.3-38.6177.8-172.8175-177.3171.60112.7V78 K79 G80 G86 I87V78-K82 PolarHBondContact O-N 3.32Å; K79-K82 PolarHBondContact O-N 3.38Å; G80-K82 VanDerWaalsContact C-N 3.26Å; G80-K82 PolarHBondContact O-N 3.23Å; K82-G86 WeakPolarHBondContact O-CA 3.45Å; K82-G86 PolarHBondContact O-N 2.9Å; K82-I87 WeakPolarHBondContact CA-O 3.47Å; K82-I87 PolarHBondContact N-O 3.12Å
83I92Very high95.2Very high61 Ų6150.2 Ų50.231%0.31327%0.274SS..Hα-helixtrans-70.9-45.5-179.9-69.4166.7000111.2Y58 K79 G80 F81Y58-I83 HydrophobicContact CD2-CD1 3.85Å; Y58-I83 HydrophobicContact CE2-CD1 3.86Å; K79-I83 HydrophobicContact CG-CD1 4.1Å; K79-I83 VanDerWaalsContact O-CG1 3.31Å; K79-I83 WeakPolarHBondContact O-CG1 3.26Å; K79-I83 PolarHBondContact O-N 3.38Å; G80-I83 PolarHBondContact O-N 3.49Å; G80-I83 VanDerWaalsContact O-N 3.09Å; F81-I83 PolarHBondContact O-N 3.2Å
84F92.5Very high95.2Very high68 Ų6854.1 Ų54.130%0.29829%0.291SS..Hα-helixtrans-96.3-30.7-168.4-61.6-59.2000114.5L54 D57 Y58 G80L54-F84 HydrophobicContact CB-CE2 4.09Å; L54-F84 HydrophobicContact CB-CZ 4.11Å; L54-F84 HydrophobicContact CD1-CD2 4.3Å; L54-F84 HydrophobicContact CD1-CG 4.37Å; L54-F84 HydrophobicContact CD2-CD1 3.79Å; L54-F84 HydrophobicContact CD2-CE1 3.8Å; L54-F84 HydrophobicContact CD2-CG 4.18Å; L54-F84 HydrophobicContact CD2-CZ 4.2Å; L54-F84 WeakPolarHBondContact O-CZ 3.05Å; D57-F84 HydrophobicContact CB-CE1 4.44Å; D57-F84 HydrophobicContact CB-CZ 4.48Å; D57-F84 WeakPolarHBondContact OD2-CE1 3.49Å; Y58-F84 HydrophobicContact CD2-CE2 4.39Å; G80-F84 WeakPolarHBondContact O-CD2 3.38Å; G80-F84 PolarHBondContact O-N 2.92Å
85L92Very high95.2Very high40 Ų4055.5 Ų55.521%0.20930%0.301CS..THydrogen-bonded Turntrans-118.3-6.9-177.5-66.4176.2000113.2F18 F81 I87 L129F18-L85 HydrophobicContact CD1-CD2 4.26Å; F18-L85 HydrophobicContact CE1-CD2 3.45Å; F18-L85 VanDerWaalsContact CE1-CD2 3.45Å; F18-L85 HydrophobicContact CZ-CD2 4Å; F81-L85 HydrophobicContact CD1-CD1 3.75Å; F81-L85 HydrophobicContact CE1-CD1 3.86Å; F81-L85 CarbonylContact O-C 3.55Å; F81-L85 WeakPolarHBondContact O-CA 3.47Å; F81-L85 WeakPolarHBondContact O-CB 3.42Å; F81-L85 PolarHBondContact O-N 2.9Å; L85-I87 HydrophobicContact CB-CD1 4.42Å; L85-I87 HydrophobicContact CB-CG1 4.02Å; L85-I87 HydrophobicContact CD1-CD1 4.48Å; L85-I87 PolarHBondContact O-N 3.23Å; L85-L129 HydrophobicContact CD1-CD2 3.59Å
86G91.4Very high95.2Very high64 Ų6457 Ų5766%0.6632%0.323SS*.SBendtrans70.79.8-178.900000114.3F81 K82F81-G86 PolarHBondContact O-N 3.26Å; F81-G86 VanDerWaalsContact O-N 3.13Å; K82-G86 WeakPolarHBondContact O-CA 3.45Å; K82-G86 PolarHBondContact O-N 2.9Å
87I93Very high95.1Very high24 Ų2460 Ų6012%0.12335%0.347CS..  trans-107.9154.6-18068.2177.5000111.4F81 K82 L85 P89 L105 P109F81-I87 CarbonylContact C-O 3.1Å; F81-I87 HydrophobicContact CB-CG1 4.17Å; F81-I87 HydrophobicContact CD1-CD1 3.75Å; F81-I87 HydrophobicContact CD1-CG1 3.81Å; F81-I87 HydrophobicContact CE1-CD1 4.27Å; F81-I87 HydrophobicContact CG-CG1 4.45Å; K82-I87 WeakPolarHBondContact CA-O 3.47Å; K82-I87 PolarHBondContact N-O 3.12Å; L85-I87 HydrophobicContact CB-CD1 4.42Å; L85-I87 HydrophobicContact CB-CG1 4.02Å; L85-I87 HydrophobicContact CD1-CD1 4.48Å; L85-I87 PolarHBondContact O-N 3.23Å; I87-P89 HydrophobicContact CG1-CG 4.5Å; I87-L105 HydrophobicContact CD1-CD2 3.95Å; I87-P109 HydrophobicContact CG2-CG 4.22Å
88T96.3Very high95Very high89 Ų8960.9 Ų60.955%0.54636%0.36SS..  trans-123.892.3177.3-55.50000108.6V78V78-T88 HydrophobicContact CG1-CG2 3.7Å
89P97.1Very high94.9Very high7 Ų762.2 Ų62.25%0.04537%0.367CS..PPolyproline II helixtrans-63.3149.4177.5-20.532.5000111.7V78 F81 I87 L103 V104 L105V78-P89 WeakPolarHBondContact CG2-O 3.34Å; F81-P89 HydrophobicContact CB-CG 3.87Å; F81-P89 HydrophobicContact CD1-CG 3.92Å; F81-P89 HydrophobicContact CD2-CG 3.95Å; F81-P89 HydrophobicContact CE1-CG 4.46Å; F81-P89 HydrophobicContact CG-CG 3.64Å; I87-P89 HydrophobicContact CG1-CG 4.5Å; P89-L103 HydrophobicContact CB-CB 4.19Å; P89-L103 HydrophobicContact CB-CD2 4.23Å; P89-V104 CarbonylContact C-O 3.47Å; P89-V104 VanDerWaalsContact CA-O 3.28Å; P89-V104 WeakPolarHBondContact CA-O 3.37Å; P89-V104 WeakPolarHBondContact CB-O 3.28Å; P89-L105 HydrophobicContact CB-CG 4.49Å; P89-L105 HydrophobicContact CG-CG 4.44Å
90T97.8Very high95Very high68 Ų6858.9 Ų58.942%0.41735%0.353SS..EExtended strand (participates in β ladder)trans-86.8124.7174.8-63.40000109.8V104T90-V104 PolarHBondContact N-O 3.3Å; T90-V104 PolarHBondContact O-N 2.9Å
91I97.6Very high95.2Very high49 Ų4958.3 Ų58.325%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-82128.2174.7-53.3162.4000108.8A74 E75 V78 F94 F101 S102 L103A74-I91 HydrophobicContact CB-CD1 3.76Å; A74-I91 HydrophobicContact CB-CG1 4.24Å; A74-I91 HydrophobicContact CB-CG2 3.93Å; E75-I91 HydrophobicContact CG-CD1 4.23Å; V78-I91 HydrophobicContact CG2-CD1 3.66Å; V78-I91 HydrophobicContact CG2-CG1 3.49Å; V78-I91 VanDerWaalsContact CG2-CG1 3.49Å; I91-F94 HydrophobicContact CB-CE2 4.48Å; I91-F94 HydrophobicContact CG2-CD2 4.18Å; I91-F94 HydrophobicContact CG2-CE2 3.26Å; I91-F94 HydrophobicContact CG2-CZ 3.59Å; I91-F101 HydrophobicContact CG2-CB 4.21Å; I91-F101 HydrophobicContact CG2-CD2 4.08Å; I91-F101 HydrophobicContact CG2-CG 4.35Å; I91-S102 WeakPolarHBondContact CA-O 3.21Å; I91-L103 HydrophobicContact CG1-CD2 4.01Å
92C96.9Very high95.3Very high37 Ų3757.6 Ų57.625%0.2534%0.344CS..EExtended strand (participates in β ladder)trans-148.6-178176.666.70000112.2F94 S102 V104C92-F94 VanDerWaalsContact C-N 3.31Å; C92-F94 PolarHBondContact O-N 2.74Å; C92-S102 PolarHBondContact N-O 3.35Å; C92-S102 PolarHBondContact O-N 3.21Å; C92-V104 VanDerWaalsContact SG-CG2 3.59Å
93K95.8Very high95.6Very high115 Ų11551.2 Ų51.250%0.532%0.316SS..  trans52.740.4172.2-60.1175.3-178.4178.80114.4S95 E160 R162K93-S95 PolarHBondContact O-N 2.82Å; K93-E160 VanDerWaalsContact CD-OE1 3.27Å; K93-E160 WeakPolarHBondContact CD-OE1 3.38Å; K93-E160 IonicContact NZ-OE1 3.22Å; K93-E160 PolarHBondContact NZ-OE1 2.81Å; K93-E160 IonicContact NZ-OE2 3.83Å; K93-E160 PolarHBondContact NZ-OE2 3.37Å; K93-R162 PolarHBondContact O-NH1 2.88Å; K93-R162 PolarHBondContact O-NH2 3.1Å
94F96.8Very high95.8Very high84 Ų8449.1 Ų49.137%0.36831%0.306SS..  trans-56.8133.6171.8-83.6-83.3000110.7K71 A74 I91 C92 E100 F101K71-F94 HydrophobicContact CB-CE1 4.31Å; K71-F94 HydrophobicContact CB-CZ 4.3Å; K71-F94 HydrophobicContact CG-CZ 4.11Å; A74-F94 HydrophobicContact CB-CE1 4.38Å; A74-F94 HydrophobicContact CB-CZ 3.8Å; I91-F94 HydrophobicContact CB-CE2 4.48Å; I91-F94 HydrophobicContact CG2-CD2 4.18Å; I91-F94 HydrophobicContact CG2-CE2 3.26Å; I91-F94 HydrophobicContact CG2-CZ 3.59Å; C92-F94 VanDerWaalsContact C-N 3.31Å; C92-F94 PolarHBondContact O-N 2.74Å; F94-E100 CarbonylContact C-O 3.43Å; F94-E100 VanDerWaalsContact CA-O 3.23Å; F94-E100 WeakPolarHBondContact CA-O 3.48Å; F94-F101 HydrophobicContact CD1-CB 3.72Å; F94-F101 HydrophobicContact CD2-CB 4.35Å; F94-F101 HydrophobicContact CE1-CB 3.6Å; F94-F101 HydrophobicContact CE1-CD1 4.04Å; F94-F101 HydrophobicContact CE1-CG 4.11Å; F94-F101 HydrophobicContact CE2-CB 4.27Å; F94-F101 HydrophobicContact CG-CB 4.1Å; F94-F101 HydrophobicContact CZ-CB 3.89Å; F94-F101 HydrophobicContact CZ-CG 4.3Å
95S95.8Very high96Very high29 Ų2946 Ų4620%0.20329%0.292CS..  trans-66.7155171.463.90000110.5K93 A97 G98 D99 E100K93-S95 PolarHBondContact O-N 2.82Å; S95-A97 PolarHBondContact O-N 2.78Å; S95-G98 PolarHBondContact O-N 3.03Å; S95-G98 PolarHBondContact OG-N 3.11Å; S95-D99 WeakPolarHBondContact CB-OD1 3.24Å; S95-D99 PolarHBondContact OG-N 3.1Å; S95-D99 VanDerWaalsContact OG-N 3.15Å; S95-D99 PolarHBondContact OG-OD1 3.04Å; S95-E100 PolarHBondContact N-O 2.87Å; S95-E100 PolarHBondContact OG-N 2.57Å; S95-E100 VanDerWaalsContact OG-N 3.11Å
96S95.2Very high95.9Very high142 Ų14250.9 Ų50.999%0.99331%0.314SS*.THydrogen-bonded Turntrans-62-26.9175.1-53.90000113G98S96-G98 VanDerWaalsContact C-N 3.28Å
97A94.7Very high95.8Very high82 Ų8253.8 Ų53.868%0.67831%0.314SS*.THydrogen-bonded Turntrans-78.8-10.8174.900000113.2S95 D99S95-A97 PolarHBondContact O-N 2.78Å; A97-D99 PolarHBondContact O-N 3.01Å
98G94Very high95.6Very high36 Ų3653.1 Ų53.137%0.37131%0.311SS..SBendtrans7116.8-178.700000114.1F70 S95 S96F70-G98 VanDerWaalsContact CB-O 3.23Å; F70-G98 WeakPolarHBondContact CB-O 3.21Å; S95-G98 PolarHBondContact O-N 3.03Å; S95-G98 PolarHBondContact OG-N 3.11Å; S96-G98 VanDerWaalsContact C-N 3.28Å
99D95.4Very high95.3Very high50 Ų5049.9 Ų49.927%0.26729%0.292SS..SBendtrans-104.6-0.7-176.766.7-18.6000113.4F70 S95 A97 K164 F165F70-D99 VanDerWaalsContact CE1-O 3.31Å; F70-D99 WeakPolarHBondContact CE1-O 3.33Å; S95-D99 WeakPolarHBondContact CB-OD1 3.24Å; S95-D99 PolarHBondContact OG-N 3.1Å; S95-D99 VanDerWaalsContact OG-N 3.15Å; S95-D99 PolarHBondContact OG-OD1 3.04Å; A97-D99 PolarHBondContact O-N 3.01Å; D99-K164 CarbonylContact O-C 3.54Å; D99-K164 WeakPolarHBondContact O-CA 3.48Å; D99-F165 HydrophobicContact CB-CB 4.25Å; D99-F165 WeakPolarHBondContact O-CB 3.43Å; D99-F165 PolarHBondContact O-N 3.05Å
100E97.4Very high95Very high31 Ų3149.5 Ų49.515%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-142.9146.6177.2-56.7-172.4-17400111.5F94 S95 R162 V163 K164F94-E100 CarbonylContact C-O 3.43Å; F94-E100 VanDerWaalsContact CA-O 3.23Å; F94-E100 WeakPolarHBondContact CA-O 3.48Å; S95-E100 PolarHBondContact N-O 2.87Å; S95-E100 PolarHBondContact OG-N 2.57Å; S95-E100 VanDerWaalsContact OG-N 3.11Å; E100-R162 IonicContact OE2-CZ 2.74Å; E100-R162 IonicContact OE2-NE 3.76Å; E100-R162 PolarHBondContact OE2-NE 2.64Å; E100-R162 IonicContact OE2-NH2 2.81Å; E100-R162 PolarHBondContact OE2-NH2 3.06Å; E100-V163 CarbonylContact C-O 3.46Å; E100-V163 VanDerWaalsContact CA-O 3.26Å; E100-V163 WeakPolarHBondContact CA-O 3.46Å; E100-K164 HydrophobicContact CG-CB 3.71Å; E100-K164 HydrophobicContact CG-CD 4.14Å; E100-K164 HydrophobicContact CG-CG 3.67Å; E100-K164 WeakPolarHBondContact OE1-CD 3.44Å; E100-K164 WeakPolarHBondContact OE1-CE 3.27Å; E100-K164 IonicContact OE1-NZ 3.02Å; E100-K164 PolarHBondContact OE1-NZ 3.15Å
101F98.3Very high94.8Very high0 Ų047.2 Ų47.20%028%0.275CS..EExtended strand (participates in β ladder)trans-147.3167.5169.164.1-91.8000110.7F70 A74 I91 F94 L103 R162 V163F70-F101 AromaticContact CD1-CD1 3.44Å; F70-F101 HydrophobicContact CD1-CD1 3.44Å; F70-F101 VanDerWaalsContact CD1-CD1 3.44Å; F70-F101 AromaticContact CD1-CE1 3.64Å; F70-F101 HydrophobicContact CD1-CE1 3.64Å; F70-F101 HydrophobicContact CD2-CE1 4.35Å; F70-F101 AromaticContact CE1-CD1 3.26Å; F70-F101 HydrophobicContact CE1-CD1 3.26Å; F70-F101 AromaticContact CE1-CE1 3.26Å; F70-F101 HydrophobicContact CE1-CE1 3.26Å; F70-F101 HydrophobicContact CE1-CG 4.46Å; F70-F101 HydrophobicContact CE1-CZ 4.46Å; F70-F101 HydrophobicContact CE2-CE1 4.03Å; F70-F101 HydrophobicContact CG-CD1 4.29Å; F70-F101 HydrophobicContact CG-CE1 4.17Å; F70-F101 AromaticContact CZ-CD1 4Å; F70-F101 HydrophobicContact CZ-CD1 4Å; F70-F101 AromaticContact CZ-CE1 3.48Å; F70-F101 HydrophobicContact CZ-CE1 3.48Å; F70-F101 VanDerWaalsContact CZ-CE1 3.48Å; F70-F101 HydrophobicContact CZ-CZ 4.44Å; A74-F101 HydrophobicContact CB-CD1 3.76Å; A74-F101 HydrophobicContact CB-CD2 3.85Å; A74-F101 HydrophobicContact CB-CE1 3.62Å; A74-F101 HydrophobicContact CB-CE2 3.71Å; A74-F101 HydrophobicContact CB-CG 3.89Å; A74-F101 HydrophobicContact CB-CZ 3.61Å; I91-F101 HydrophobicContact CG2-CB 4.21Å; I91-F101 HydrophobicContact CG2-CD2 4.08Å; I91-F101 HydrophobicContact CG2-CG 4.35Å; F94-F101 HydrophobicContact CD1-CB 3.72Å; F94-F101 HydrophobicContact CD2-CB 4.35Å; F94-F101 HydrophobicContact CE1-CB 3.6Å; F94-F101 HydrophobicContact CE1-CD1 4.04Å; F94-F101 HydrophobicContact CE1-CG 4.11Å; F94-F101 HydrophobicContact CE2-CB 4.27Å; F94-F101 HydrophobicContact CG-CB 4.1Å; F94-F101 HydrophobicContact CZ-CB 3.89Å; F94-F101 HydrophobicContact CZ-CG 4.3Å; F101-L103 HydrophobicContact CD2-CD2 4.22Å; F101-L103 HydrophobicContact CD2-CG 4.14Å; F101-L103 HydrophobicContact CE2-CD1 4.09Å; F101-L103 HydrophobicContact CE2-CD2 3.8Å; F101-L103 HydrophobicContact CE2-CG 3.71Å; F101-R162 WeakPolarHBondContact O-CD 3.37Å; F101-V163 HydrophobicContact CD2-CB 4.45Å; F101-V163 HydrophobicContact CD2-CG2 4.47Å; F101-V163 HydrophobicContact CE1-CB 4.06Å; F101-V163 HydrophobicContact CE1-CG1 4.33Å; F101-V163 HydrophobicContact CE2-CB 3.97Å; F101-V163 HydrophobicContact CE2-CG2 3.81Å; F101-V163 HydrophobicContact CZ-CB 3.75Å; F101-V163 HydrophobicContact CZ-CG1 4.09Å; F101-V163 HydrophobicContact CZ-CG2 3.94Å; F101-V163 PolarHBondContact N-O 3.14Å; F101-V163 PolarHBondContact O-N 3.27Å
102S98.4Very high94.3Very high0 Ų050.4 Ų50.40%029%0.289CS..EExtended strand (participates in β ladder)trans-115.9142.2173.2-65.20000110.9I91 C92 E160 I161 R162I91-S102 WeakPolarHBondContact CA-O 3.21Å; C92-S102 PolarHBondContact N-O 3.35Å; C92-S102 PolarHBondContact O-N 3.21Å; S102-E160 WeakPolarHBondContact CB-OE1 3.42Å; S102-E160 PolarHBondContact OG-OE1 3.33Å; S102-I161 CarbonylContact C-O 3.59Å; S102-I161 WeakPolarHBondContact CA-O 3.27Å; S102-R162 WeakPolarHBondContact OG-CD 3.48Å; S102-R162 PolarHBondContact OG-NH1 3.45Å
103L98.2Very high93.9Very high0 Ų054.4 Ų54.40%030%0.302CS..EExtended strand (participates in β ladder)trans-104.8121.2168.5-63.5167.7000108.1V77 V78 F81 P89 I91 F101 I133 E160 I161 V163V77-L103 HydrophobicContact CG1-CD1 3.62Å; V78-L103 HydrophobicContact CG2-CD2 3.83Å; F81-L103 HydrophobicContact CE2-CD1 4.02Å; P89-L103 HydrophobicContact CB-CB 4.19Å; P89-L103 HydrophobicContact CB-CD2 4.23Å; I91-L103 HydrophobicContact CG1-CD2 4.01Å; F101-L103 HydrophobicContact CD2-CD2 4.22Å; F101-L103 HydrophobicContact CD2-CG 4.14Å; F101-L103 HydrophobicContact CE2-CD1 4.09Å; F101-L103 HydrophobicContact CE2-CD2 3.8Å; F101-L103 HydrophobicContact CE2-CG 3.71Å; L103-I133 HydrophobicContact CD1-CD1 3.95Å; L103-E160 WeakPolarHBondContact O-CA 3.47Å; L103-I161 HydrophobicContact CB-CB 4.48Å; L103-I161 PolarHBondContact N-O 2.84Å; L103-I161 PolarHBondContact O-N 2.99Å; L103-V163 HydrophobicContact CD1-CG2 4.18Å
104V98.1Very high93.8Very high17 Ų1750 Ų5010%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-100.9123.1174.1176.40000109.1P89 T90 C92 I158 N159 E160P89-V104 CarbonylContact C-O 3.47Å; P89-V104 VanDerWaalsContact CA-O 3.28Å; P89-V104 WeakPolarHBondContact CA-O 3.37Å; P89-V104 WeakPolarHBondContact CB-O 3.28Å; T90-V104 PolarHBondContact N-O 3.3Å; T90-V104 PolarHBondContact O-N 2.9Å; C92-V104 VanDerWaalsContact SG-CG2 3.59Å; V104-I158 HydrophobicContact CG1-CB 4.25Å; V104-I158 HydrophobicContact CG1-CD1 3.92Å; V104-I158 HydrophobicContact CG2-CD1 4Å; V104-N159 WeakPolarHBondContact CA-O 3.49Å; V104-E160 HydrophobicContact CG2-CG 4.31Å
105L96.2Very high93.5Very high2 Ų253.3 Ų53.31%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-102.498.4179.2-54.782.2000108.4F81 I87 P89 N107 L129 N159 I161F81-L105 HydrophobicContact CE1-CD2 4.11Å; I87-L105 HydrophobicContact CD1-CD2 3.95Å; P89-L105 HydrophobicContact CB-CG 4.49Å; P89-L105 HydrophobicContact CG-CG 4.44Å; L105-N107 VanDerWaalsContact C-N 3.31Å; L105-L129 HydrophobicContact CD2-CD1 3.89Å; L105-N159 HydrophobicContact CB-CB 4.03Å; L105-N159 HydrophobicContact CD1-CB 4.35Å; L105-N159 PolarHBondContact N-O 2.69Å; L105-I161 HydrophobicContact CD1-CD1 3.94Å; L105-I161 HydrophobicContact CD1-CG1 3.94Å
106E90Very high93.4Very high142 Ų14253.7 Ų53.766%0.66431%0.307SS*.SBendtrans-65.3-37.7177.1-66.3-178.6178.800111.8
107N88.2Confident93.2Very high125 Ų12549.6 Ų49.667%0.66828%0.277SS*.  trans-124118.9174.3-63-51.9000108.7L105L105-N107 VanDerWaalsContact C-N 3.31Å
108N89.5Confident93Very high11 Ų1149.3 Ų49.36%0.05927%0.274CS..  trans-108.6104.1173.5-175.31.2000109.6L110 T111 S126N108-L110 PolarHBondContact O-N 2.78Å; N108-L110 VanDerWaalsContact O-N 3.12Å; N108-L110 WeakPolarHBondContact OD1-CB 3.32Å; N108-L110 PolarHBondContact OD1-N 2.87Å; N108-T111 WeakPolarHBondContact ND2-CG2 3.39Å; N108-T111 PolarHBondContact O-N 3.1Å; N108-T111 VanDerWaalsContact O-N 3.16Å; N108-T111 PolarHBondContact O-OG1 3.25Å; N108-T111 VanDerWaalsContact O-OG1 3.14Å; N108-S126 PolarHBondContact ND2-OG 3.23Å
109P90.1Very high93Very high20 Ų2054.2 Ų54.213%0.1329%0.287CS..G310 helixtrans-63.9-21.1-176.426.1-34.4000112.6T19 I87 T111T19-P109 WeakPolarHBondContact CG2-O 3.14Å; T19-P109 PolarHBondContact OG1-O 3.17Å; I87-P109 HydrophobicContact CG2-CG 4.22Å; P109-T111 PolarHBondContact O-N 3.02Å
110L91.5Very high92.9Very high0 Ų053 Ų530%028%0.28CS..G310 helixtrans-67.6-25.3179.4-62.5-178.2000112.7F18 Y22 N108 Y125 V128 L129F18-L110 HydrophobicContact CD1-CD2 3.95Å; F18-L110 HydrophobicContact CE1-CD2 3.34Å; F18-L110 HydrophobicContact CZ-CD2 4.06Å; Y22-L110 HydrophobicContact CD1-CB 4.01Å; Y22-L110 HydrophobicContact CD1-CD1 4.23Å; Y22-L110 HydrophobicContact CD1-CD2 3.74Å; Y22-L110 HydrophobicContact CD1-CG 4.22Å; Y22-L110 HydrophobicContact CE1-CB 4.15Å; Y22-L110 HydrophobicContact CE1-CD1 3.95Å; Y22-L110 HydrophobicContact CE1-CD2 4.31Å; Y22-L110 HydrophobicContact CE1-CG 4.38Å; Y22-L110 HydrophobicContact CG-CD2 3.89Å; N108-L110 PolarHBondContact O-N 2.78Å; N108-L110 VanDerWaalsContact O-N 3.12Å; N108-L110 WeakPolarHBondContact OD1-CB 3.32Å; N108-L110 PolarHBondContact OD1-N 2.87Å; L110-Y125 HydrophobicContact CB-CE1 4.45Å; L110-Y125 VanDerWaalsContact O-CE1 3.23Å; L110-Y125 WeakPolarHBondContact O-CE1 3.43Å; L110-V128 HydrophobicContact CD1-CG1 4.02Å; L110-L129 HydrophobicContact CD1-CD1 4.02Å; L110-L129 HydrophobicContact CD1-CD2 3.95Å; L110-L129 HydrophobicContact CD1-CG 3.89Å
111T92.1Very high92.6Very high20 Ų2057.8 Ų57.812%0.12330%0.302CS..G310 helixtrans-108.67.5-169.462.10000113.6N108 P109 F113 V114 Y125 L153N108-T111 WeakPolarHBondContact ND2-CG2 3.39Å; N108-T111 PolarHBondContact O-N 3.1Å; N108-T111 VanDerWaalsContact O-N 3.16Å; N108-T111 PolarHBondContact O-OG1 3.25Å; N108-T111 VanDerWaalsContact O-OG1 3.14Å; P109-T111 PolarHBondContact O-N 3.02Å; T111-F113 PolarHBondContact O-N 2.85Å; T111-F113 VanDerWaalsContact O-N 3.14Å; T111-V114 PolarHBondContact O-N 3.27Å; T111-Y125 HydrophobicContact CG2-CD1 3.93Å; T111-Y125 HydrophobicContact CG2-CE1 4.49Å; T111-L153 HydrophobicContact CG2-CD1 3.45Å; T111-L153 VanDerWaalsContact CG2-CD1 3.45Å; T111-L153 HydrophobicContact CG2-CG 3.99Å
112E87.1Confident92.4Very high116 Ų11662.5 Ų62.554%0.54233%0.327SS..THydrogen-bonded Turntrans-58.2-30.8-171.4-169173.817500114.2
113F89.1Confident92.3Very high120 Ų12062.7 Ų62.753%0.52633%0.328SS..THydrogen-bonded Turntrans-124.529.2-177.2-50-61.1000112.6E16 T19 T111E16-F113 HydrophobicContact CG-CE2 4.49Å; T19-F113 HydrophobicContact CG2-CD2 4.14Å; T111-F113 PolarHBondContact O-N 2.85Å; T111-F113 VanDerWaalsContact O-N 3.14Å
114V93Very high92.3Very high24 Ų2463.9 Ų63.915%0.14534%0.335CS..  trans-117.7126.8-168.6-178.10000110.1T111 Y125 L153T111-V114 PolarHBondContact O-N 3.27Å; V114-Y125 HydrophobicContact CG1-CD1 4.4Å; V114-Y125 HydrophobicContact CG1-CD2 3.81Å; V114-Y125 HydrophobicContact CG1-CE1 4.31Å; V114-Y125 HydrophobicContact CG1-CE2 3.71Å; V114-Y125 HydrophobicContact CG1-CG 4.16Å; V114-Y125 HydrophobicContact CG2-CE1 3.78Å; V114-Y125 HydrophobicContact CG2-CE2 4.13Å; V114-Y125 WeakPolarHBondContact CG2-OH 3.19Å; V114-L153 HydrophobicContact CB-CD1 4.26Å; V114-L153 HydrophobicContact CB-CD2 4.34Å; V114-L153 HydrophobicContact CG1-CD1 3.77Å; V114-L153 HydrophobicContact CG1-CD2 4.32Å; V114-L153 WeakPolarHBondContact O-CD2 3.43Å
115D91.8Very high92.2Very high153 Ų15363.7 Ų63.782%0.81833%0.332SS*.  trans-119.8133.1162.1-71.6-46.2000107.9
116L92.7Very high92.3Very high37 Ų3763.6 Ų63.619%0.19433%0.332CS..  trans-77.2134.7177.3-68.7-178.5000110.5L123 Y125 L153 R154L116-L123 HydrophobicContact CD1-CB 4.48Å; L116-L123 HydrophobicContact CD2-CB 4.34Å; L116-L123 HydrophobicContact CD2-CD2 3.85Å; L116-L123 HydrophobicContact CD2-CG 4.27Å; L116-Y125 HydrophobicContact CD2-CD2 4.31Å; L116-L153 HydrophobicContact CD1-CB 3.81Å; L116-L153 HydrophobicContact CG-CB 4.03Å; L116-L153 HydrophobicContact CG-CD1 4.4Å; L116-R154 HydrophobicContact CD1-CG 4.28Å
117P91.2Very high92.7Very high56 Ų5657.6 Ų57.636%0.36430%0.304SS..  trans-70.4158.3173.733.6-37.3000110.6E119 H120P117-E119 HydrophobicContact CB-CG 4.24Å; P117-E119 HydrophobicContact CG-CG 4.22Å; P117-E119 PolarHBondContact O-N 3.37Å; P117-E119 VanDerWaalsContact O-N 3.15Å; P117-H120 HydrophobicContact CG-CB 3.97Å; P117-H120 PolarHBondContact O-N 3.48Å
118A91.2Very high93.1Very high75 Ų7552.3 Ų52.362%0.6228%0.276SS*.G310 helixtrans-62.9-26.9-171.200000113.4H120 Q121A118-H120 VanDerWaalsContact C-N 3.35Å; A118-Q121 WeakPolarHBondContact O-CG 3.4Å; A118-Q121 PolarHBondContact O-NE2 2.89Å
119E92.9Very high93.5Very high140 Ų14052.4 Ų52.465%0.65428%0.277SS*.G310 helixtrans-72.8-20.3175.554.8-94.7-14400114.3P117P117-E119 HydrophobicContact CB-CG 4.24Å; P117-E119 HydrophobicContact CG-CG 4.22Å; P117-E119 PolarHBondContact O-N 3.37Å; P117-E119 VanDerWaalsContact O-N 3.15Å
120H93.4Very high93.9Very high24 Ų2451.4 Ų51.411%0.11127%0.27CS..G310 helixtrans-117.639-172.1-66.9-60.3000113.2V30 D36 P117 A118 N122 L123V30-H120 WeakPolarHBondContact CG1-NE2 3.47Å; D36-H120 WeakPolarHBondContact OD1-CA 3.26Å; D36-H120 IonicContact OD1-CE1 3.77Å; D36-H120 IonicContact OD1-CG 3.46Å; D36-H120 IonicContact OD1-ND1 2.68Å; D36-H120 PolarHBondContact OD1-ND1 2.91Å; D36-H120 WeakPolarHBondContact OD2-CA 3.32Å; P117-H120 HydrophobicContact CG-CB 3.97Å; P117-H120 PolarHBondContact O-N 3.48Å; A118-H120 VanDerWaalsContact C-N 3.35Å; H120-N122 PolarHBondContact O-N 3.16Å; H120-L123 HydrophobicContact CB-CB 4.06Å; H120-L123 HydrophobicContact CB-CD2 4.37Å; H120-L123 VanDerWaalsContact O-CB 3.25Å; H120-L123 WeakPolarHBondContact O-CB 3.19Å; H120-L123 PolarHBondContact O-N 3.31Å; H120-L123 VanDerWaalsContact O-N 3.14Å
121Q92Very high94.2Very high131 Ų13151.4 Ų51.461%0.61227%0.27SS*.THydrogen-bonded Turntrans-67-16.1-178.1-69.1173.539.400114.2A118 R154A118-Q121 WeakPolarHBondContact O-CG 3.4Å; A118-Q121 PolarHBondContact O-NE2 2.89Å; Q121-R154 PolarHBondContact O-NE 3.46Å
122N94.3Very high94.5Very high99 Ų9951.3 Ų51.353%0.52927%0.272SS..THydrogen-bonded Turntrans-102.43.9176.5-55.9-62000112.5D36 N40 H120 L124D36-N122 HydrophobicContact CB-CB 4Å; D36-N122 VanDerWaalsContact OD2-CA 3.27Å; D36-N122 WeakPolarHBondContact OD2-CA 3.16Å; D36-N122 VanDerWaalsContact OD2-CB 3.26Å; D36-N122 WeakPolarHBondContact OD2-CB 3.32Å; D36-N122 PolarHBondContact OD2-N 3.02Å; N40-N122 PolarHBondContact ND2-O 2.68Å; H120-N122 PolarHBondContact O-N 3.16Å; N122-L124 PolarHBondContact O-N 3.41Å
123L96.5Very high95Very high4 Ų446.2 Ų46.22%0.02125%0.248CC..  trans-65.9121173178.257.3000109.7V26 V30 D36 I39 N40 L43 L116 H120 Y125V26-L123 HydrophobicContact CG1-CD2 4.32Å; V30-L123 HydrophobicContact CG2-CD2 4.2Å; D36-L123 PolarHBondContact OD2-N 3.39Å; I39-L123 HydrophobicContact CB-CD1 4.1Å; I39-L123 HydrophobicContact CG2-CD1 3.35Å; N40-L123 WeakPolarHBondContact OD1-CD1 3.35Å; L43-L123 HydrophobicContact CD1-CD1 4.13Å; L116-L123 HydrophobicContact CD1-CB 4.48Å; L116-L123 HydrophobicContact CD2-CB 4.34Å; L116-L123 HydrophobicContact CD2-CD2 3.85Å; L116-L123 HydrophobicContact CD2-CG 4.27Å; H120-L123 HydrophobicContact CB-CB 4.06Å; H120-L123 HydrophobicContact CB-CD2 4.37Å; H120-L123 VanDerWaalsContact O-CB 3.25Å; H120-L123 WeakPolarHBondContact O-CB 3.19Å; H120-L123 PolarHBondContact O-N 3.31Å; H120-L123 VanDerWaalsContact O-N 3.14Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 HydrophobicContact CD2-CD2 4.49Å; L123-Y125 PolarHBondContact O-N 3.38Å
124L97Very high95.5Very high25 Ų2543.2 Ų43.213%0.13123%0.233CC..  trans-86.183167-64174.7000106.9N40 N122 S126 N127 F148N40-L124 WeakPolarHBondContact OD1-CA 3.31Å; N40-L124 WeakPolarHBondContact OD1-CB 3.46Å; N40-L124 PolarHBondContact OD1-N 3.16Å; N122-L124 PolarHBondContact O-N 3.41Å; L124-S126 PolarHBondContact O-N 3.03Å; L124-N127 HydrophobicContact CB-CB 3.82Å; L124-N127 VanDerWaalsContact O-CB 3.27Å; L124-N127 WeakPolarHBondContact O-CB 3.49Å; L124-N127 PolarHBondContact O-N 3.37Å; L124-F148 HydrophobicContact CD1-CB 4.26Å; L124-F148 HydrophobicContact CD2-CB 3.78Å; L124-F148 HydrophobicContact CD2-CG 4.43Å
125Y97.3Very high95.7Very high14 Ų1442 Ų426%0.05523%0.226CC..THydrogen-bonded Turntrans-54-32.1-172.4-176.2-91000112.3Y22 G23 V26 L110 T111 V114 L116 L123 L153Y22-Y125 HydrophobicContact CD1-CD1 4.37Å; Y22-Y125 AromaticContact CD1-CE1 3.55Å; Y22-Y125 HydrophobicContact CD1-CE1 3.55Å; Y22-Y125 AromaticContact CD1-CZ 3.97Å; Y22-Y125 AromaticContact CE1-CD1 3.76Å; Y22-Y125 HydrophobicContact CE1-CD1 3.76Å; Y22-Y125 AromaticContact CE1-CE1 3.39Å; Y22-Y125 HydrophobicContact CE1-CE1 3.39Å; Y22-Y125 VanDerWaalsContact CE1-O 3.31Å; Y22-Y125 WeakPolarHBondContact CE1-O 3.26Å; Y22-Y125 PolarHBondContact OH-O 3.44Å; G23-Y125 WeakPolarHBondContact CA-OH 3.27Å; V26-Y125 HydrophobicContact CB-CD2 4.41Å; V26-Y125 HydrophobicContact CB-CE2 3.84Å; V26-Y125 HydrophobicContact CG1-CD2 3.8Å; V26-Y125 HydrophobicContact CG1-CE2 3.64Å; V26-Y125 HydrophobicContact CG2-CD2 4.31Å; V26-Y125 HydrophobicContact CG2-CE2 3.88Å; L110-Y125 HydrophobicContact CB-CE1 4.45Å; L110-Y125 VanDerWaalsContact O-CE1 3.23Å; L110-Y125 WeakPolarHBondContact O-CE1 3.43Å; T111-Y125 HydrophobicContact CG2-CD1 3.93Å; T111-Y125 HydrophobicContact CG2-CE1 4.49Å; V114-Y125 HydrophobicContact CG1-CD1 4.4Å; V114-Y125 HydrophobicContact CG1-CD2 3.81Å; V114-Y125 HydrophobicContact CG1-CE1 4.31Å; V114-Y125 HydrophobicContact CG1-CE2 3.71Å; V114-Y125 HydrophobicContact CG1-CG 4.16Å; V114-Y125 HydrophobicContact CG2-CE1 3.78Å; V114-Y125 HydrophobicContact CG2-CE2 4.13Å; V114-Y125 WeakPolarHBondContact CG2-OH 3.19Å; L116-Y125 HydrophobicContact CD2-CD2 4.31Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 HydrophobicContact CD2-CD2 4.49Å; L123-Y125 PolarHBondContact O-N 3.38Å; Y125-L153 HydrophobicContact CD1-CD1 4.11Å; Y125-L153 HydrophobicContact CG-CD1 3.86Å
126S97.1Very high95.9Very high0 Ų036 Ų360%020%0.197CC..THydrogen-bonded Turntrans-99.118.7-179.8-60.30000114.2N108 L124 V128 L129 F148N108-S126 PolarHBondContact ND2-OG 3.23Å; L124-S126 PolarHBondContact O-N 3.03Å; S126-V128 PolarHBondContact O-N 3.13Å; S126-L129 WeakPolarHBondContact O-CB 3.38Å; S126-L129 WeakPolarHBondContact O-CG 3.49Å; S126-L129 PolarHBondContact O-N 2.98Å; S126-F148 WeakPolarHBondContact O-CE2 3.45Å; S126-F148 WeakPolarHBondContact O-CZ 3.39Å
127N97.8Very high96.1Very high15 Ų1534.8 Ų34.88%0.0819%0.191CC..Hα-helixtrans-60.2-18.9-175.1-148.630.4000113.7N40 L43 L124 L129 A130 G131N40-N127 PolarHBondContact O-ND2 2.81Å; L43-N127 HydrophobicContact CB-CB 4.03Å; L124-N127 HydrophobicContact CB-CB 3.82Å; L124-N127 VanDerWaalsContact O-CB 3.27Å; L124-N127 WeakPolarHBondContact O-CB 3.49Å; L124-N127 PolarHBondContact O-N 3.37Å; N127-L129 PolarHBondContact O-N 2.91Å; N127-L129 VanDerWaalsContact O-N 3.17Å; N127-A130 WeakPolarHBondContact O-CB 3.48Å; N127-A130 PolarHBondContact O-N 2.64Å; N127-A130 VanDerWaalsContact O-N 3.1Å; N127-G131 PolarHBondContact O-N 3.16Å; N127-G131 VanDerWaalsContact O-N 3.11Å
128V97.9Very high96.3Very high15 Ų1536.1 Ų36.19%0.09119%0.192CC..Hα-helixtrans-53.9-32.1170.276.40000112.5Y22 L43 I46 G47 I50 L110 S126 G131 A132Y22-V128 HydrophobicContact CE2-CB 3.95Å; Y22-V128 HydrophobicContact CE2-CG1 3.57Å; Y22-V128 HydrophobicContact CE2-CG2 4.36Å; Y22-V128 WeakPolarHBondContact OH-CB 3.23Å; Y22-V128 WeakPolarHBondContact OH-CG1 3.23Å; L43-V128 WeakPolarHBondContact O-CA 3.4Å; I46-V128 HydrophobicContact CG2-CG2 4.32Å; G47-V128 VanDerWaalsContact CA-O 3.25Å; G47-V128 WeakPolarHBondContact CA-O 3.27Å; I50-V128 HydrophobicContact CD1-CG2 4.24Å; L110-V128 HydrophobicContact CD1-CG1 4.02Å; S126-V128 PolarHBondContact O-N 3.13Å; V128-G131 PolarHBondContact O-N 3.14Å; V128-A132 VanDerWaalsContact O-CB 3.32Å; V128-A132 WeakPolarHBondContact O-CB 3.47Å; V128-A132 PolarHBondContact O-N 3.34Å
129L97.7Very high96.3Very high12 Ų1236 Ų366%0.06318%0.181CC..Hα-helixtrans-69.3-41.2179.1-61.5-177.8000111.4F81 L85 L105 L110 S126 N127 A132 I133 F148 I161F81-L129 HydrophobicContact CE1-CD1 4.29Å; F81-L129 HydrophobicContact CE1-CD2 4.28Å; L85-L129 HydrophobicContact CD1-CD2 3.59Å; L105-L129 HydrophobicContact CD2-CD1 3.89Å; L110-L129 HydrophobicContact CD1-CD1 4.02Å; L110-L129 HydrophobicContact CD1-CD2 3.95Å; L110-L129 HydrophobicContact CD1-CG 3.89Å; S126-L129 WeakPolarHBondContact O-CB 3.38Å; S126-L129 WeakPolarHBondContact O-CG 3.49Å; S126-L129 PolarHBondContact O-N 2.98Å; N127-L129 PolarHBondContact O-N 2.91Å; N127-L129 VanDerWaalsContact O-N 3.17Å; L129-A132 PolarHBondContact O-N 3.28Å; L129-I133 VanDerWaalsContact O-CG1 3.32Å; L129-I133 WeakPolarHBondContact O-CG1 3.33Å; L129-I133 PolarHBondContact O-N 3Å; L129-F148 HydrophobicContact CB-CE2 4.45Å; L129-F148 HydrophobicContact CB-CZ 4.39Å; L129-F148 HydrophobicContact CD1-CZ 4.38Å; L129-I161 HydrophobicContact CB-CD1 3.96Å
130A98.2Very high96.3Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-63.9-45.5175.600000110.6N127 A132 I133 R134 A146 F148N127-A130 WeakPolarHBondContact O-CB 3.48Å; N127-A130 PolarHBondContact O-N 2.64Å; N127-A130 VanDerWaalsContact O-N 3.1Å; A130-A132 PolarHBondContact O-N 3.02Å; A130-I133 PolarHBondContact O-N 3.36Å; A130-R134 WeakPolarHBondContact O-CG 3.4Å; A130-R134 PolarHBondContact O-N 2.87Å; A130-R134 VanDerWaalsContact O-N 3.12Å; A130-A146 HydrophobicContact CB-CB 4.26Å; A130-F148 HydrophobicContact CB-CD2 4.34Å; A130-F148 HydrophobicContact CB-CE2 4.32Å
131G98.4Very high96.3Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-56.1-48.217200000112.6D44 F48 N127 V128 I133 R134 G135D44-G131 WeakPolarHBondContact O-CA 3.26Å; D44-G131 WeakPolarHBondContact OD1-CA 3.39Å; D44-G131 PolarHBondContact OD1-N 3.35Å; F48-G131 WeakPolarHBondContact CA-O 3.31Å; F48-G131 VanDerWaalsContact N-C 3.28Å; F48-G131 PolarHBondContact N-O 3.28Å; N127-G131 PolarHBondContact O-N 3.16Å; N127-G131 VanDerWaalsContact O-N 3.11Å; V128-G131 PolarHBondContact O-N 3.14Å; G131-I133 VanDerWaalsContact C-N 3.35Å; G131-I133 PolarHBondContact O-N 2.69Å; G131-R134 PolarHBondContact O-N 2.65Å; G131-R134 VanDerWaalsContact O-N 3.16Å; G131-G135 PolarHBondContact O-N 2.86Å
132A98.3Very high96.4Very high18 Ų1826.8 Ų26.815%0.14914%0.14CC..Hα-helixtrans-62-39.3-17900000113.1G47 G51 V128 L129 A130 A136G47-A132 VanDerWaalsContact C-N 3.26Å; G47-A132 WeakPolarHBondContact O-CA 3.19Å; G47-A132 PolarHBondContact O-N 3.06Å; G51-A132 WeakPolarHBondContact CA-O 3.25Å; V128-A132 VanDerWaalsContact O-CB 3.32Å; V128-A132 WeakPolarHBondContact O-CB 3.47Å; V128-A132 PolarHBondContact O-N 3.34Å; L129-A132 PolarHBondContact O-N 3.28Å; A130-A132 PolarHBondContact O-N 3.02Å; A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.12Å; A132-A136 PolarHBondContact O-N 3.08Å
133I98.1Very high96.5Very high9 Ų925.3 Ų25.35%0.04613%0.13CC..Hα-helixtrans-60.4-49.9173.2-67.8162.9000110.1V77 F81 L103 L129 A130 G131 G135 A136 L137 A146 I161 V163V77-I133 HydrophobicContact CG1-CD1 4.46Å; V77-I133 HydrophobicContact CG1-CG1 4.19Å; F81-I133 HydrophobicContact CE2-CD1 3.97Å; F81-I133 HydrophobicContact CE2-CG1 4.13Å; F81-I133 HydrophobicContact CZ-CD1 4.08Å; F81-I133 HydrophobicContact CZ-CG1 4.44Å; L103-I133 HydrophobicContact CD1-CD1 3.95Å; L129-I133 VanDerWaalsContact O-CG1 3.32Å; L129-I133 WeakPolarHBondContact O-CG1 3.33Å; L129-I133 PolarHBondContact O-N 3Å; A130-I133 PolarHBondContact O-N 3.36Å; G131-I133 VanDerWaalsContact C-N 3.35Å; G131-I133 PolarHBondContact O-N 2.69Å; I133-G135 PolarHBondContact O-N 3.04Å; I133-A136 PolarHBondContact O-N 3.05Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 WeakPolarHBondContact O-CB 3.48Å; I133-L137 WeakPolarHBondContact O-CG 3.5Å; I133-L137 PolarHBondContact O-N 3.16Å; I133-A146 HydrophobicContact CB-CB 4.27Å; I133-A146 HydrophobicContact CG2-CB 4.14Å; I133-I161 HydrophobicContact CD1-CD1 4.21Å; I133-I161 HydrophobicContact CD1-CG2 4.05Å; I133-V163 HydrophobicContact CG2-CG1 4.15Å; I133-V163 HydrophobicContact CG2-CG2 4.35Å
134R98.1Very high96.5Very high56 Ų5625.7 Ų25.721%0.21113%0.133CC..Hα-helixtrans-60.9-46.3179.8-67.1-175.2-54.5107.423.9111.7D44 F48 A130 G131 L137 H138 V144 A146D44-R134 IonicContact OD1-CZ 2.65Å; D44-R134 IonicContact OD1-NE 3.65Å; D44-R134 PolarHBondContact OD1-NE 3.24Å; D44-R134 IonicContact OD1-NH2 3.23Å; D44-R134 PolarHBondContact OD1-NH2 2.9Å; D44-R134 IonicContact OD2-CZ 2.68Å; D44-R134 VanDerWaalsContact OD2-CZ 3.27Å; D44-R134 IonicContact OD2-NH1 2.7Å; D44-R134 IonicContact OD2-NH2 3.19Å; D44-R134 PolarHBondContact OD2-NH2 3.15Å; F48-R134 HydrophobicContact CD2-CB 4.05Å; F48-R134 HydrophobicContact CE2-CB 4.41Å; A130-R134 WeakPolarHBondContact O-CG 3.4Å; A130-R134 PolarHBondContact O-N 2.87Å; A130-R134 VanDerWaalsContact O-N 3.12Å; G131-R134 PolarHBondContact O-N 2.65Å; G131-R134 VanDerWaalsContact O-N 3.16Å; R134-L137 PolarHBondContact O-N 3.12Å; R134-H138 VanDerWaalsContact O-CB 3.24Å; R134-H138 WeakPolarHBondContact O-CB 3.46Å; R134-H138 PolarHBondContact O-N 3.45Å; R134-V144 HydrophobicContact CG-CG2 4.11Å; R134-A146 HydrophobicContact CG-CB 3.76Å
135G97.6Very high96.6Very high0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-63.2-43.5179.200000113F48 L52 G131 I133 H138 N139F48-G135 VanDerWaalsContact CD2-CA 3.46Å; F48-G135 WeakPolarHBondContact O-CA 3.15Å; L52-G135 WeakPolarHBondContact CD2-O 3.23Å; G131-G135 PolarHBondContact O-N 2.86Å; I133-G135 PolarHBondContact O-N 3.04Å; G135-H138 PolarHBondContact O-N 2.95Å; G135-N139 PolarHBondContact O-N 2.93Å
136A97.1Very high96.6Very high25 Ų2527.8 Ų27.821%0.20714%0.144CC..Hα-helixtrans-64-45.1177.800000111.7G51 V55 A132 I133 N139G51-A136 WeakPolarHBondContact O-CA 3.18Å; V55-A136 HydrophobicContact CB-CB 4.09Å; A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.12Å; A132-A136 PolarHBondContact O-N 3.08Å; I133-A136 PolarHBondContact O-N 3.05Å; A136-N139 PolarHBondContact O-N 3.43Å
137L96.7Very high96.7Very high12 Ų1232.3 Ų32.36%0.06316%0.16CC..Hα-helixtrans-70.9-32.8-179.4-67.3-179.2000112.5T73 V77 I133 R134 N139 V140 Q141 L142 V144T73-L137 HydrophobicContact CG2-CD1 3.88Å; T73-L137 HydrophobicContact CG2-CD2 3.59Å; T73-L137 HydrophobicContact CG2-CG 4.43Å; V77-L137 HydrophobicContact CG2-CD1 4.25Å; V77-L137 HydrophobicContact CG2-CD2 4.35Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 WeakPolarHBondContact O-CB 3.48Å; I133-L137 WeakPolarHBondContact O-CG 3.5Å; I133-L137 PolarHBondContact O-N 3.16Å; R134-L137 PolarHBondContact O-N 3.12Å; L137-N139 VanDerWaalsContact C-N 3.31Å; L137-N139 PolarHBondContact O-N 3.24Å; L137-V140 HydrophobicContact CD2-CG2 4.09Å; L137-V140 CarbonylContact O-C 3.57Å; L137-V140 WeakPolarHBondContact O-CG2 3.39Å; L137-V140 PolarHBondContact O-N 2.99Å; L137-V140 VanDerWaalsContact O-N 3.13Å; L137-Q141 PolarHBondContact O-N 3.42Å; L137-L142 CarbonylContact C-O 3.57Å; L137-L142 HydrophobicContact CB-CB 4.18Å; L137-L142 HydrophobicContact CD2-CD1 4.35Å; L137-L142 PolarHBondContact O-N 2.99Å; L137-L142 VanDerWaalsContact O-O 3.08Å; L137-V144 HydrophobicContact CB-CG1 4.38Å; L137-V144 HydrophobicContact CB-CG2 4.18Å; L137-V144 HydrophobicContact CD1-CB 4.45Å; L137-V144 HydrophobicContact CD1-CG1 3.88Å; L137-V144 HydrophobicContact CD1-CG2 3.78Å
138H95.1Very high96.6Very high85 Ų8532.3 Ų32.339%0.39416%0.16SC..Hα-helixtrans-57.7-43.6172.6-179.9-78.2000111.8F48 R134 G135 V140 Q141 L142 I169F48-H138 HydrophobicContact CE2-CB 4.08Å; F48-H138 HydrophobicContact CZ-CB 4.05Å; F48-H138 AromaticContact CZ-CG 3.87Å; R134-H138 VanDerWaalsContact O-CB 3.24Å; R134-H138 WeakPolarHBondContact O-CB 3.46Å; R134-H138 PolarHBondContact O-N 3.45Å; G135-H138 PolarHBondContact O-N 2.95Å; H138-V140 PolarHBondContact O-N 3.44Å; H138-Q141 PolarHBondContact O-N 3.2Å; H138-L142 WeakPolarHBondContact CA-O 3.3Å; H138-L142 PolarHBondContact N-O 2.68Å; H138-I169 HydrophobicContact CB-CD1 4.46Å; H138-I169 VanDerWaalsContact CD2-CD1 3.47Å; H138-I169 WeakPolarHBondContact CD2-CD1 3.33Å
139N91.1Very high96.6Very high71 Ų7134.5 Ų34.538%0.3817%0.173SC..Hα-helixtrans-69.2-17.2-179.3-149.611.5000113.5L52 V55 G135 A136 L137L52-N139 HydrophobicContact CD2-CB 4.14Å; L52-N139 PolarHBondContact O-ND2 3.4Å; V55-N139 HydrophobicContact CG1-CB 3.44Å; V55-N139 VanDerWaalsContact CG1-CB 3.44Å; V55-N139 WeakPolarHBondContact CG1-ND2 3.48Å; G135-N139 PolarHBondContact O-N 2.93Å; A136-N139 PolarHBondContact O-N 3.43Å; L137-N139 VanDerWaalsContact C-N 3.31Å; L137-N139 PolarHBondContact O-N 3.24Å
140V92.6Very high96.6Very high27 Ų2736.4 Ų36.416%0.16418%0.182CC..THydrogen-bonded Turntrans-103.327.2171.3-64.50000112.1V55 G65 L137 H138 L142V55-V140 HydrophobicContact CG2-CG1 3.9Å; G65-V140 VanDerWaalsContact O-CB 3.31Å; G65-V140 WeakPolarHBondContact O-CB 3.43Å; G65-V140 WeakPolarHBondContact O-CG1 3.2Å; L137-V140 HydrophobicContact CD2-CG2 4.09Å; L137-V140 CarbonylContact O-C 3.57Å; L137-V140 WeakPolarHBondContact O-CG2 3.39Å; L137-V140 PolarHBondContact O-N 2.99Å; L137-V140 VanDerWaalsContact O-N 3.13Å; H138-V140 PolarHBondContact O-N 3.44Å; V140-L142 VanDerWaalsContact C-N 3.28Å; V140-L142 HydrophobicContact CG2-CD1 4.4Å; V140-L142 PolarHBondContact O-N 2.88Å
141Q92.9Very high96.4Very high67 Ų6736.4 Ų36.431%0.31318%0.182SC..THydrogen-bonded Turntrans64.128.9171.8-56158.2-24.200113.8L137 H138 R168 I169 E171L137-Q141 PolarHBondContact O-N 3.42Å; H138-Q141 PolarHBondContact O-N 3.2Å; Q141-R168 CarbonylContact O-C 3.19Å; Q141-R168 WeakPolarHBondContact O-CA 3.47Å; Q141-I169 HydrophobicContact CB-CB 4.33Å; Q141-I169 PolarHBondContact O-N 3.15Å; Q141-E171 PolarHBondContact NE2-OE1 3.06Å
142L94.6Very high96.3Very high8 Ų840.5 Ų40.54%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-116.7112.1174.8-66.6174.3000109.6T73 L137 H138 V140 V144 F165 R168T73-L142 HydrophobicContact CG2-CD1 4.21Å; L137-L142 CarbonylContact C-O 3.57Å; L137-L142 HydrophobicContact CB-CB 4.18Å; L137-L142 HydrophobicContact CD2-CD1 4.35Å; L137-L142 PolarHBondContact O-N 2.99Å; L137-L142 VanDerWaalsContact O-O 3.08Å; H138-L142 WeakPolarHBondContact CA-O 3.3Å; H138-L142 PolarHBondContact N-O 2.68Å; V140-L142 VanDerWaalsContact C-N 3.28Å; V140-L142 HydrophobicContact CG2-CD1 4.4Å; V140-L142 PolarHBondContact O-N 2.88Å; L142-V144 HydrophobicContact CB-CG1 4.42Å; L142-F165 HydrophobicContact CD2-CD2 4.31Å; L142-F165 HydrophobicContact CD2-CE2 3.85Å; L142-R168 HydrophobicContact CD2-CG 4.1Å
143E95.8Very high96.1Very high68 Ų6841.3 Ų41.332%0.31820%0.203SC..EExtended strand (participates in β ladder)trans-83.4122.8168-170.6172.4177.800108.9I166 R167 I169E143-I166 HydrophobicContact CB-CB 4.37Å; E143-I166 HydrophobicContact CG-CB 4.17Å; E143-I166 HydrophobicContact CG-CG2 4.43Å; E143-I166 WeakPolarHBondContact O-CB 3.41Å; E143-I166 PolarHBondContact O-N 3.5Å; E143-R167 HydrophobicContact CB-CG 3.94Å; E143-R167 PolarHBondContact N-O 3.42Å; E143-R167 PolarHBondContact O-N 3.06Å; E143-R167 IonicContact OE2-CZ 3.34Å; E143-R167 IonicContact OE2-NE 2.62Å; E143-R167 PolarHBondContact OE2-NE 2.95Å; E143-R167 IonicContact OE2-NH2 2.73Å; E143-R167 PolarHBondContact OE2-NH2 3.11Å; E143-I169 HydrophobicContact CB-CD1 4.21Å; E143-I169 HydrophobicContact CB-CG1 3.98Å
144V97.7Very high95.9Very high13 Ų1346.2 Ų46.28%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-133.2153179.3-52.60000110.8F70 R134 L137 L142 V163 K164F70-V144 HydrophobicContact CE2-CG1 3.96Å; F70-V144 HydrophobicContact CZ-CG1 4.23Å; R134-V144 HydrophobicContact CG-CG2 4.11Å; L137-V144 HydrophobicContact CB-CG1 4.38Å; L137-V144 HydrophobicContact CB-CG2 4.18Å; L137-V144 HydrophobicContact CD1-CB 4.45Å; L137-V144 HydrophobicContact CD1-CG1 3.88Å; L137-V144 HydrophobicContact CD1-CG2 3.78Å; L142-V144 HydrophobicContact CB-CG1 4.42Å; V144-V163 HydrophobicContact CB-CG1 4.24Å; V144-V163 HydrophobicContact CG2-CG1 4.13Å; V144-K164 CarbonylContact C-O 3.58Å; V144-K164 WeakPolarHBondContact CA-O 3.38Å; V144-K164 VanDerWaalsContact CB-O 3.26Å; V144-K164 WeakPolarHBondContact CB-O 3.25Å
145E98Very high95.6Very high75 Ų7546.8 Ų46.835%0.3524%0.244SC..EExtended strand (participates in β ladder)trans-91136.9159.3-169.9-170.1171.200108.5R147 V163 K164 I166E145-R147 WeakPolarHBondContact OE1-CD 3.25Å; E145-R147 IonicContact OE1-CZ 3.01Å; E145-R147 IonicContact OE1-NE 2.95Å; E145-R147 IonicContact OE1-NH1 2.92Å; E145-R147 PolarHBondContact OE1-NH1 2.93Å; E145-R147 IonicContact OE2-NH1 2.82Å; E145-R147 PolarHBondContact OE2-NH1 2.95Å; E145-V163 CarbonylContact O-C 3.59Å; E145-V163 VanDerWaalsContact O-CA 3.32Å; E145-V163 WeakPolarHBondContact O-CA 3.34Å; E145-K164 HydrophobicContact CB-CB 4.26Å; E145-K164 PolarHBondContact N-O 3.4Å; E145-K164 PolarHBondContact O-N 2.9Å; E145-I166 HydrophobicContact CB-CD1 4.21Å; E145-I166 HydrophobicContact CB-CG1 4.44Å
146A98.3Very high95.5Very high8 Ų849.6 Ų49.67%0.06626%0.259CS..EExtended strand (participates in β ladder)trans-134.4128.5169.100000108.3A130 I133 R134 I161 R162 V163A130-A146 HydrophobicContact CB-CB 4.26Å; I133-A146 HydrophobicContact CB-CB 4.27Å; I133-A146 HydrophobicContact CG2-CB 4.14Å; R134-A146 HydrophobicContact CG-CB 3.76Å; A146-I161 HydrophobicContact CB-CG2 4.37Å; A146-R162 VanDerWaalsContact CA-O 3.29Å; A146-R162 WeakPolarHBondContact CA-O 3.36Å; A146-V163 HydrophobicContact CB-CG2 4.47Å
147R97.9Very high95.3Very high94 Ų9456.7 Ų56.736%0.35529%0.288SS..EExtended strand (participates in β ladder)trans-147.4147.8-178.564.2179-176.4-86.6-5.2111.6E145 V149 I161 R162E145-R147 WeakPolarHBondContact OE1-CD 3.25Å; E145-R147 IonicContact OE1-CZ 3.01Å; E145-R147 IonicContact OE1-NE 2.95Å; E145-R147 IonicContact OE1-NH1 2.92Å; E145-R147 PolarHBondContact OE1-NH1 2.93Å; E145-R147 IonicContact OE2-NH1 2.82Å; E145-R147 PolarHBondContact OE2-NH1 2.95Å; R147-V149 HydrophobicContact CG-CG1 4.2Å; R147-I161 CarbonylContact O-C 3.55Å; R147-I161 WeakPolarHBondContact O-CA 3.42Å; R147-R162 HydrophobicContact CG-CB 4.31Å; R147-R162 PolarHBondContact N-O 3.15Å; R147-R162 PolarHBondContact O-N 2.97Å
148F97.6Very high95.2Very high15 Ų1558.7 Ų58.77%0.06630%0.298CS..EExtended strand (participates in β ladder)trans-69.8130.2166.9-80.4-97.1000109.7L124 S126 L129 A130 E160 I161L124-F148 HydrophobicContact CD1-CB 4.26Å; L124-F148 HydrophobicContact CD2-CB 3.78Å; L124-F148 HydrophobicContact CD2-CG 4.43Å; S126-F148 WeakPolarHBondContact O-CE2 3.45Å; S126-F148 WeakPolarHBondContact O-CZ 3.39Å; L129-F148 HydrophobicContact CB-CE2 4.45Å; L129-F148 HydrophobicContact CB-CZ 4.39Å; L129-F148 HydrophobicContact CD1-CZ 4.38Å; A130-F148 HydrophobicContact CB-CD2 4.34Å; A130-F148 HydrophobicContact CB-CE2 4.32Å; F148-E160 WeakPolarHBondContact CA-O 3.26Å; F148-I161 HydrophobicContact CD1-CG1 4.06Å; F148-I161 HydrophobicContact CD2-CG1 4.21Å; F148-I161 HydrophobicContact CE1-CD1 4.16Å; F148-I161 HydrophobicContact CE1-CG1 3.75Å; F148-I161 HydrophobicContact CE2-CD1 3.89Å; F148-I161 HydrophobicContact CE2-CG1 3.89Å; F148-I161 HydrophobicContact CG-CG1 4.28Å; F148-I161 HydrophobicContact CZ-CD1 3.61Å; F148-I161 HydrophobicContact CZ-CG1 3.66Å
149V97.1Very high95.3Very high61 Ų6154.7 Ų54.737%0.3728%0.28SS..EExtended strand (participates in β ladder)trans-112.3-20.7172.9-63.60000112.2R147 E160 R162R147-V149 HydrophobicContact CG-CG1 4.2Å; V149-E160 HydrophobicContact CG2-CB 3.73Å; V149-E160 HydrophobicContact CG2-CG 3.47Å; V149-E160 VanDerWaalsContact CG2-CG 3.47Å; V149-E160 PolarHBondContact N-O 3.43Å; V149-R162 HydrophobicContact CG1-CB 3.63Å; V149-R162 HydrophobicContact CG2-CB 4.34Å
150Q96.6Very high95.6Very high52 Ų5251.5 Ų51.524%0.24326%0.263CS..EExtended strand (participates in β ladder)trans-140.8140.8169.4-57.7-162.6-86.800109.5D156 I158 N159 E160Q150-D156 VanDerWaalsContact CA-OD2 3.27Å; Q150-D156 WeakPolarHBondContact CA-OD2 3.44Å; Q150-D156 HydrophobicContact CB-CB 3.87Å; Q150-I158 CarbonylContact C-O 3.54Å; Q150-I158 HydrophobicContact CB-CG1 4.4Å; Q150-I158 VanDerWaalsContact CB-O 3.27Å; Q150-I158 WeakPolarHBondContact CB-O 3.32Å; Q150-N159 WeakPolarHBondContact O-CA 3.41Å; Q150-E160 HydrophobicContact CB-CB 3.94Å; Q150-E160 HydrophobicContact CG-CB 4.26Å; Q150-E160 PolarHBondContact N-O 3.41Å; Q150-E160 PolarHBondContact O-N 3.2Å; Q150-E160 PolarHBondContact OE1-OE2 3.42Å
151D95.4Very high95.9Very high0 Ų050.2 Ų50.20%026%0.255CS..  trans-142.5121.7179.2-171.7-20.1000110.5L153 R154 G155 D156 N159D151-L153 PolarHBondContact O-N 3.08Å; D151-L153 WeakPolarHBondContact OD1-CB 3.29Å; D151-L153 PolarHBondContact OD1-N 3.38Å; D151-R154 HydrophobicContact CB-CB 4.24Å; D151-R154 HydrophobicContact CB-CG 4.14Å; D151-R154 WeakPolarHBondContact O-CA 3.41Å; D151-R154 PolarHBondContact O-N 3.32Å; D151-G155 PolarHBondContact O-N 2.88Å; D151-D156 PolarHBondContact N-OD2 3.27Å; D151-D156 WeakPolarHBondContact O-CB 3.14Å; D151-D156 PolarHBondContact O-N 2.85Å; D151-D156 VanDerWaalsContact O-N 3.15Å; D151-N159 PolarHBondContact OD1-OD1 3.12Å
152Q94.7Very high96.1Very high86 Ų8648.7 Ų48.740%0.40225%0.246SC..G310 helixtrans-61.4-31.3-179.9-73.3-178.4-38.300112.5R154 G155 D156 Q157 N159Q152-R154 PolarHBondContact O-N 2.86Å; Q152-G155 PolarHBondContact O-N 3.31Å; Q152-G155 VanDerWaalsContact O-N 3.07Å; Q152-D156 WeakPolarHBondContact CA-O 3.35Å; Q152-Q157 PolarHBondContact NE2-O 3.04Å; Q152-N159 PolarHBondContact N-OD1 3.36Å; Q152-N159 PolarHBondContact OE1-ND2 2.88Å
153L94.1Very high96.3Very high36 Ų3648.3 Ų48.319%0.18824%0.244CC..G310 helixtrans-68.5-18.8175.9-70.2-177.7000112.9T111 V114 L116 Y125 D151T111-L153 HydrophobicContact CG2-CD1 3.45Å; T111-L153 VanDerWaalsContact CG2-CD1 3.45Å; T111-L153 HydrophobicContact CG2-CG 3.99Å; V114-L153 HydrophobicContact CB-CD1 4.26Å; V114-L153 HydrophobicContact CB-CD2 4.34Å; V114-L153 HydrophobicContact CG1-CD1 3.77Å; V114-L153 HydrophobicContact CG1-CD2 4.32Å; V114-L153 WeakPolarHBondContact O-CD2 3.43Å; L116-L153 HydrophobicContact CD1-CB 3.81Å; L116-L153 HydrophobicContact CG-CB 4.03Å; L116-L153 HydrophobicContact CG-CD1 4.4Å; Y125-L153 HydrophobicContact CD1-CD1 4.11Å; Y125-L153 HydrophobicContact CG-CD1 3.86Å; D151-L153 PolarHBondContact O-N 3.08Å; D151-L153 WeakPolarHBondContact OD1-CB 3.29Å; D151-L153 PolarHBondContact OD1-N 3.38Å
154R93.9Very high96.4Very high111 Ų11148 Ų4842%0.41924%0.242SC..G310 helixtrans-97.47.7174.7-62.1-179.959.3-145.5-4.9112.7L116 Q121 D151 Q152L116-R154 HydrophobicContact CD1-CG 4.28Å; Q121-R154 PolarHBondContact O-NE 3.46Å; D151-R154 HydrophobicContact CB-CB 4.24Å; D151-R154 HydrophobicContact CB-CG 4.14Å; D151-R154 WeakPolarHBondContact O-CA 3.41Å; D151-R154 PolarHBondContact O-N 3.32Å; Q152-R154 PolarHBondContact O-N 2.86Å
155G92.8Very high96.4Very high69 Ų6950.2 Ų50.271%0.71125%0.251SS*.THydrogen-bonded Turntrans91.67177.200000115.2D151 Q152D151-G155 PolarHBondContact O-N 2.88Å; Q152-G155 PolarHBondContact O-N 3.31Å; Q152-G155 VanDerWaalsContact O-N 3.07Å
156D94.8Very high96.3Very high59 Ų5950.5 Ų50.532%0.31625%0.253SS..  trans-72.4164.1171.5-69.4-62.5000112Q150 D151 Q152Q150-D156 VanDerWaalsContact CA-OD2 3.27Å; Q150-D156 WeakPolarHBondContact CA-OD2 3.44Å; Q150-D156 HydrophobicContact CB-CB 3.87Å; D151-D156 PolarHBondContact N-OD2 3.27Å; D151-D156 WeakPolarHBondContact O-CB 3.14Å; D151-D156 PolarHBondContact O-N 2.85Å; D151-D156 VanDerWaalsContact O-N 3.15Å; Q152-D156 WeakPolarHBondContact CA-O 3.35Å
157Q93.6Very high96.1Very high173 Ų17356 Ų5681%0.80827%0.272SS*.SBendtrans-75.5-29.7-179.2-64.5-175.8-0.500113.3Q152Q152-Q157 PolarHBondContact NE2-O 3.04Å
158I94.8Very high95.9Very high55 Ų5558.2 Ų58.228%0.28228%0.281SS..SBendtrans-140.6162.1-174.362.9175.5000109.9V104 Q150V104-I158 HydrophobicContact CG1-CB 4.25Å; V104-I158 HydrophobicContact CG1-CD1 3.92Å; V104-I158 HydrophobicContact CG2-CD1 4Å; Q150-I158 CarbonylContact C-O 3.54Å; Q150-I158 HydrophobicContact CB-CG1 4.4Å; Q150-I158 VanDerWaalsContact CB-O 3.27Å; Q150-I158 WeakPolarHBondContact CB-O 3.32Å
159N96.4Very high95.6Very high0 Ų059.1 Ų59.10%029%0.286CS..EExtended strand (participates in β ladder)trans-93.1123.7167.1-60.4-65.8000108.9V104 L105 Q150 D151 Q152V104-N159 WeakPolarHBondContact CA-O 3.49Å; L105-N159 HydrophobicContact CB-CB 4.03Å; L105-N159 HydrophobicContact CD1-CB 4.35Å; L105-N159 PolarHBondContact N-O 2.69Å; Q150-N159 WeakPolarHBondContact O-CA 3.41Å; D151-N159 PolarHBondContact OD1-OD1 3.12Å; Q152-N159 PolarHBondContact N-OD1 3.36Å; Q152-N159 PolarHBondContact OE1-ND2 2.88Å
160E98Very high95Very high5 Ų564.2 Ų64.22%0.02331%0.306CS..EExtended strand (participates in β ladder)trans-133124.1-178.8-173.7-175.9163.500111.4K93 S102 L103 V104 F148 V149 Q150K93-E160 VanDerWaalsContact CD-OE1 3.27Å; K93-E160 WeakPolarHBondContact CD-OE1 3.38Å; K93-E160 IonicContact NZ-OE1 3.22Å; K93-E160 PolarHBondContact NZ-OE1 2.81Å; K93-E160 IonicContact NZ-OE2 3.83Å; K93-E160 PolarHBondContact NZ-OE2 3.37Å; S102-E160 WeakPolarHBondContact CB-OE1 3.42Å; S102-E160 PolarHBondContact OG-OE1 3.33Å; L103-E160 WeakPolarHBondContact O-CA 3.47Å; V104-E160 HydrophobicContact CG2-CG 4.31Å; F148-E160 WeakPolarHBondContact CA-O 3.26Å; V149-E160 HydrophobicContact CG2-CB 3.73Å; V149-E160 HydrophobicContact CG2-CG 3.47Å; V149-E160 VanDerWaalsContact CG2-CG 3.47Å; V149-E160 PolarHBondContact N-O 3.43Å; Q150-E160 HydrophobicContact CB-CB 3.94Å; Q150-E160 HydrophobicContact CG-CB 4.26Å; Q150-E160 PolarHBondContact N-O 3.41Å; Q150-E160 PolarHBondContact O-N 3.2Å; Q150-E160 PolarHBondContact OE1-OE2 3.42Å
161I98.3Very high93.7Very high0 Ų068.4 Ų68.40%033%0.325CS..EExtended strand (participates in β ladder)trans-106119.5171.6-55.6174.2000108.4S102 L103 L105 L129 I133 A146 R147 F148 V163S102-I161 CarbonylContact C-O 3.59Å; S102-I161 WeakPolarHBondContact CA-O 3.27Å; L103-I161 HydrophobicContact CB-CB 4.48Å; L103-I161 PolarHBondContact N-O 2.84Å; L103-I161 PolarHBondContact O-N 2.99Å; L105-I161 HydrophobicContact CD1-CD1 3.94Å; L105-I161 HydrophobicContact CD1-CG1 3.94Å; L129-I161 HydrophobicContact CB-CD1 3.96Å; I133-I161 HydrophobicContact CD1-CD1 4.21Å; I133-I161 HydrophobicContact CD1-CG2 4.05Å; A146-I161 HydrophobicContact CB-CG2 4.37Å; R147-I161 CarbonylContact O-C 3.55Å; R147-I161 WeakPolarHBondContact O-CA 3.42Å; F148-I161 HydrophobicContact CD1-CG1 4.06Å; F148-I161 HydrophobicContact CD2-CG1 4.21Å; F148-I161 HydrophobicContact CE1-CD1 4.16Å; F148-I161 HydrophobicContact CE1-CG1 3.75Å; F148-I161 HydrophobicContact CE2-CD1 3.89Å; F148-I161 HydrophobicContact CE2-CG1 3.89Å; F148-I161 HydrophobicContact CG-CG1 4.28Å; F148-I161 HydrophobicContact CZ-CD1 3.61Å; F148-I161 HydrophobicContact CZ-CG1 3.66Å; I161-V163 HydrophobicContact CG2-CG2 4.28Å
162R98.4Very high91.9Very high34 Ų3475.4 Ų75.413%0.12836%0.361CS..EExtended strand (participates in β ladder)trans-86.7126.8171.9-173.168.3175.3176.71.6109.2K93 E100 F101 S102 A146 R147 V149K93-R162 PolarHBondContact O-NH1 2.88Å; K93-R162 PolarHBondContact O-NH2 3.1Å; E100-R162 IonicContact OE2-CZ 2.74Å; E100-R162 IonicContact OE2-NE 3.76Å; E100-R162 PolarHBondContact OE2-NE 2.64Å; E100-R162 IonicContact OE2-NH2 2.81Å; E100-R162 PolarHBondContact OE2-NH2 3.06Å; F101-R162 WeakPolarHBondContact O-CD 3.37Å; S102-R162 WeakPolarHBondContact OG-CD 3.48Å; S102-R162 PolarHBondContact OG-NH1 3.45Å; A146-R162 VanDerWaalsContact CA-O 3.29Å; A146-R162 WeakPolarHBondContact CA-O 3.36Å; R147-R162 HydrophobicContact CG-CB 4.31Å; R147-R162 PolarHBondContact N-O 3.15Å; R147-R162 PolarHBondContact O-N 2.97Å; V149-R162 HydrophobicContact CG1-CB 3.63Å; V149-R162 HydrophobicContact CG2-CB 4.34Å
163V98.5Very high90Very high0 Ų078.1 Ų78.10%038%0.377CS..EExtended strand (participates in β ladder)trans-116.3128.1175.9-163.80000108.9F70 E100 F101 L103 I133 V144 E145 A146 I161F70-V163 HydrophobicContact CZ-CB 4.4Å; F70-V163 HydrophobicContact CZ-CG1 3.84Å; E100-V163 CarbonylContact C-O 3.46Å; E100-V163 VanDerWaalsContact CA-O 3.26Å; E100-V163 WeakPolarHBondContact CA-O 3.46Å; F101-V163 HydrophobicContact CD2-CB 4.45Å; F101-V163 HydrophobicContact CD2-CG2 4.47Å; F101-V163 HydrophobicContact CE1-CB 4.06Å; F101-V163 HydrophobicContact CE1-CG1 4.33Å; F101-V163 HydrophobicContact CE2-CB 3.97Å; F101-V163 HydrophobicContact CE2-CG2 3.81Å; F101-V163 HydrophobicContact CZ-CB 3.75Å; F101-V163 HydrophobicContact CZ-CG1 4.09Å; F101-V163 HydrophobicContact CZ-CG2 3.94Å; F101-V163 PolarHBondContact N-O 3.14Å; F101-V163 PolarHBondContact O-N 3.27Å; L103-V163 HydrophobicContact CD1-CG2 4.18Å; I133-V163 HydrophobicContact CG2-CG1 4.15Å; I133-V163 HydrophobicContact CG2-CG2 4.35Å; V144-V163 HydrophobicContact CB-CG1 4.24Å; V144-V163 HydrophobicContact CG2-CG1 4.13Å; E145-V163 CarbonylContact O-C 3.59Å; E145-V163 VanDerWaalsContact O-CA 3.32Å; E145-V163 WeakPolarHBondContact O-CA 3.34Å; A146-V163 HydrophobicContact CB-CG2 4.47Å; I161-V163 HydrophobicContact CG2-CG2 4.28Å
164K98Very high87.9Confident62 Ų6284.8 Ų84.827%0.2741%0.407SS..EExtended strand (participates in β ladder)trans-126.8127.7-178.6169.1174.7-163.11410110.5D99 E100 V144 E145 I166D99-K164 CarbonylContact O-C 3.54Å; D99-K164 WeakPolarHBondContact O-CA 3.48Å; E100-K164 HydrophobicContact CG-CB 3.71Å; E100-K164 HydrophobicContact CG-CD 4.14Å; E100-K164 HydrophobicContact CG-CG 3.67Å; E100-K164 WeakPolarHBondContact OE1-CD 3.44Å; E100-K164 WeakPolarHBondContact OE1-CE 3.27Å; E100-K164 IonicContact OE1-NZ 3.02Å; E100-K164 PolarHBondContact OE1-NZ 3.15Å; V144-K164 CarbonylContact C-O 3.58Å; V144-K164 WeakPolarHBondContact CA-O 3.38Å; V144-K164 VanDerWaalsContact CB-O 3.26Å; V144-K164 WeakPolarHBondContact CB-O 3.25Å; E145-K164 HydrophobicContact CB-CB 4.26Å; E145-K164 PolarHBondContact N-O 3.4Å; E145-K164 PolarHBondContact O-N 2.9Å; K164-I166 HydrophobicContact CD-CD1 4.24Å; K164-I166 HydrophobicContact CG-CD1 4.15Å
165F97.1Very high85.8Confident60 Ų6082.2 Ų82.226%0.26342%0.415SS..EExtended strand (participates in β ladder)trans-67.5132.3169.6175.4-100.3000110.7F70 D99 L142 R167 R168F70-F165 HydrophobicContact CD1-CB 4.4Å; F70-F165 HydrophobicContact CD2-CB 4.12Å; F70-F165 HydrophobicContact CE1-CB 4.24Å; F70-F165 HydrophobicContact CE2-CB 3.96Å; F70-F165 HydrophobicContact CG-CB 4.35Å; F70-F165 HydrophobicContact CZ-CB 4.02Å; D99-F165 HydrophobicContact CB-CB 4.25Å; D99-F165 WeakPolarHBondContact O-CB 3.43Å; D99-F165 PolarHBondContact O-N 3.05Å; L142-F165 HydrophobicContact CD2-CD2 4.31Å; L142-F165 HydrophobicContact CD2-CE2 3.85Å; F165-R167 VanDerWaalsContact CE2-C 3.43Å; F165-R167 VanDerWaalsContact CZ-CA 3.44Å; F165-R168 HydrophobicContact CE2-CG 4.14Å; F165-R168 HydrophobicContact CZ-CG 4.08Å
166I96.4Very high83.5Confident80 Ų8087 Ų8741%0.4143%0.425SS..EExtended strand (participates in β ladder)trans-105.8-59.4175.9-56.6-60.8000109.7E143 E145 K164E143-I166 HydrophobicContact CB-CB 4.37Å; E143-I166 HydrophobicContact CG-CB 4.17Å; E143-I166 HydrophobicContact CG-CG2 4.43Å; E143-I166 WeakPolarHBondContact O-CB 3.41Å; E143-I166 PolarHBondContact O-N 3.5Å; E145-I166 HydrophobicContact CB-CD1 4.21Å; E145-I166 HydrophobicContact CB-CG1 4.44Å; K164-I166 HydrophobicContact CD-CD1 4.24Å; K164-I166 HydrophobicContact CG-CD1 4.15Å
167R94.5Very high81Confident123 Ų12395.7 Ų95.746%0.46447%0.471SS..EExtended strand (participates in β ladder)trans-163.1166.6178.662.5179.1-17992.89.5111.6E143 F165E143-R167 HydrophobicContact CB-CG 3.94Å; E143-R167 PolarHBondContact N-O 3.42Å; E143-R167 PolarHBondContact O-N 3.06Å; E143-R167 IonicContact OE2-CZ 3.34Å; E143-R167 IonicContact OE2-NE 2.62Å; E143-R167 PolarHBondContact OE2-NE 2.95Å; E143-R167 IonicContact OE2-NH2 2.73Å; E143-R167 PolarHBondContact OE2-NH2 3.11Å; F165-R167 VanDerWaalsContact CE2-C 3.43Å; F165-R167 VanDerWaalsContact CZ-CA 3.44Å
168R92.6Very high80.4Confident141 Ų14191.8 Ų91.853%0.53245%0.454SS..EExtended strand (participates in β ladder)trans-80.5138.7162.9-67.8-176.7-178.9-95.32.1108.9N68 Q141 L142 F165N68-R168 PolarHBondContact O-NH2 3.2Å; Q141-R168 CarbonylContact O-C 3.19Å; Q141-R168 WeakPolarHBondContact O-CA 3.47Å; L142-R168 HydrophobicContact CD2-CG 4.1Å; F165-R168 HydrophobicContact CE2-CG 4.14Å; F165-R168 HydrophobicContact CZ-CG 4.08Å
169I92Very high79.7Confident35 Ų3593.7 Ų93.718%0.17946%0.463CS..PPolyproline II helixtrans-85.7116.5176.7-56.9169.6000106.8H138 Q141 E143H138-I169 HydrophobicContact CB-CD1 4.46Å; H138-I169 VanDerWaalsContact CD2-CD1 3.47Å; H138-I169 WeakPolarHBondContact CD2-CD1 3.33Å; Q141-I169 HydrophobicContact CB-CB 4.33Å; Q141-I169 PolarHBondContact O-N 3.15Å; E143-I169 HydrophobicContact CB-CD1 4.21Å; E143-I169 HydrophobicContact CB-CG1 3.98Å
170E84.2Confident78.7Confident167 Ų16798.9 Ų98.978%0.7849%0.489SS*.PPolyproline II helixtrans-79.2124.4171.9-65.2179.4179.200108.6I172E170-I172 PolarHBondContact O-N 3.05Å; E170-I172 VanDerWaalsContact O-N 3.15Å
171E70.4Confident77.6Confident140 Ų140104.5 Ų104.565%0.65452%0.516SS*.  trans-68.6109.9168.4-80.8178.8-171.100108.5Q141 I173Q141-E171 PolarHBondContact NE2-OE1 3.06Å; E171-I173 VanDerWaalsContact C-N 3.3Å; E171-I173 PolarHBondContact O-N 3.23Å
172I55.9Low76.3Confident148 Ų148111 Ų11176%0.75955%0.549SS*.  trans-73.295.2164.2-55.6173.5000105.8E170 Q174E170-I172 PolarHBondContact O-N 3.05Å; E170-I172 VanDerWaalsContact O-N 3.15Å; I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 2.62Å
173I55.3Low74.8Confident143 Ų143116.1 Ų116.173%0.73358%0.577SS**  trans-65.3103.3162-58.1167.6000104.7E171 G175E171-I173 VanDerWaalsContact C-N 3.3Å; E171-I173 PolarHBondContact O-N 3.23Å; I173-G175 PolarHBondContact O-N 3.4Å
174Q50.8Low73.1Confident176 Ų176124.4 Ų124.482%0.82262%0.618SS**  trans-62.797.9160.6-73.7-175.9-7.100105.5I172 D176I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 2.62Å; Q174-D176 PolarHBondContact O-N 3.44Å
175G50Low71.2Confident57 Ų57129.2 Ų129.259%0.58865%0.645SS**  trans-62.7128.1168.500000107.8I173 D177I173-G175 PolarHBondContact O-N 3.4Å; G175-D177 PolarHBondContact O-N 3.05Å; G175-D177 VanDerWaalsContact O-N 3.09Å
176D42.8Very low69.1Low170 Ų170135 Ų13591%0.90968%0.676SS**  trans-55.4110.6161.8-74.4-35.5000107.7Q174Q174-D176 PolarHBondContact O-N 3.44Å
177D43.9Very low66.6Low240 Ų240140 Ų140100%1.28370%0.7SS**  trans-73.20153.5-83.1-29.7000109.4G175G175-D177 PolarHBondContact O-N 3.05Å; G175-D177 VanDerWaalsContact O-N 3.09Å

Retrieved 177 of 177 residues in 126.2 ms (Link to these results)

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