A0A3Q0KJ37_SCHMA Loading...

Glucosamine-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A3Q0KJ37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M93Very high97.1Very high85 Ų8568 Ų6842%0.41933%0.331SS..  0145.90-174.9-178.3-64.400109I216 Q230 S235 F237M1-I216 HydrophobicContact CE-CD1 4.49Å; M1-I216 HydrophobicContact SD-CD1 3.37Å; M1-I216 WeakPolarHBondContact SD-CD1 3.27Å; M1-Q230 HydrophobicContact CE-CB 4.26Å; M1-Q230 HydrophobicContact CE-CG 3.72Å; M1-S235 CarbonylContact C-O 3.56Å; M1-S235 WeakPolarHBondContact CA-O 3.31Å; M1-F237 HydrophobicContact CE-CD2 4.44Å; M1-F237 HydrophobicContact CE-CE2 3.78Å; M1-F237 HydrophobicContact CG-CD2 3.91Å; M1-F237 HydrophobicContact CG-CE2 4.13Å; M1-F237 HydrophobicContact SD-CD2 3.84Å; M1-F237 HydrophobicContact SD-CE2 3.77Å
2R96.2Very high97.2Very high119 Ų11962.6 Ų62.645%0.44931%0.305SS..EExtended strand (participates in β ladder)trans-118.7139164.8-69.7168.752-163.8-6.9108.2S235 I236 F237R2-S235 PolarHBondContact N-O 3.04Å; R2-I236 HydrophobicContact CB-CG1 4.27Å; R2-I236 HydrophobicContact CB-CG2 4.28Å; R2-I236 CarbonylContact O-C 3.56Å; R2-I236 WeakPolarHBondContact O-CA 3.33Å; R2-F237 PolarHBondContact O-N 3.01Å
3L97Very high97.4Very high3 Ų358.1 Ų58.12%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-113.1126.3167.5179.366000106.5I5 L212 I216 F237 V239 L247 F255L3-I5 HydrophobicContact CD2-CD1 4.36Å; L3-I5 HydrophobicContact CD2-CG1 4.34Å; L3-I5 HydrophobicContact CG-CG1 4.19Å; L3-L212 HydrophobicContact CD1-CD1 4.28Å; L3-I216 HydrophobicContact CD1-CD1 4.4Å; L3-F237 CarbonylContact C-O 3.54Å; L3-F237 WeakPolarHBondContact CA-O 3.33Å; L3-F237 HydrophobicContact CD1-CB 3.54Å; L3-V239 HydrophobicContact CD1-CB 4.48Å; L3-V239 HydrophobicContact CD1-CG1 3.66Å; L3-V239 HydrophobicContact CD1-CG2 3.89Å; L3-L247 HydrophobicContact CD2-CD1 3.99Å; L3-F255 HydrophobicContact CB-CB 3.89Å; L3-F255 HydrophobicContact CB-CD1 4.04Å; L3-F255 HydrophobicContact CB-CD2 3.99Å; L3-F255 HydrophobicContact CB-CG 3.72Å; L3-F255 HydrophobicContact CD2-CB 4.45Å; L3-F255 HydrophobicContact CD2-CD2 3.61Å; L3-F255 HydrophobicContact CD2-CE2 4.1Å; L3-F255 HydrophobicContact CD2-CG 4.17Å; L3-F255 HydrophobicContact CG-CB 4.45Å; L3-F255 HydrophobicContact CG-CD2 4.36Å; L3-F255 HydrophobicContact CG-CG 4.44Å; L3-F255 WeakPolarHBondContact O-CB 3.24Å
4L97.2Very high97.4Very high39 Ų3956.4 Ų56.420%0.20428%0.279CS..EExtended strand (participates in β ladder)trans-116.5116.1175.5-179.570.5000107.5L6 W15 F237 V238 V239L4-L6 HydrophobicContact CD1-CD2 4.46Å; L4-L6 HydrophobicContact CD2-CD1 4.03Å; L4-L6 HydrophobicContact CD2-CD2 4.14Å; L4-L6 HydrophobicContact CD2-CG 4.17Å; L4-L6 HydrophobicContact CG-CD1 4.42Å; L4-L6 HydrophobicContact CG-CD2 4.11Å; L4-L6 HydrophobicContact CG-CG 4.07Å; L4-W15 VanDerWaalsContact CD2-CD1 3.5Å; L4-W15 HydrophobicContact CD2-CD2 3.39Å; L4-W15 HydrophobicContact CD2-CE3 4.04Å; L4-W15 HydrophobicContact CD2-CG 3.62Å; L4-W15 HydrophobicContact CD2-CH2 4.32Å; L4-W15 HydrophobicContact CD2-CZ2 3.71Å; L4-W15 HydrophobicContact CD2-CZ3 4.47Å; L4-F237 PolarHBondContact N-O 3.47Å; L4-V238 HydrophobicContact CD2-CG1 4.28Å; L4-V239 PolarHBondContact O-N 3.26Å
5I97.2Very high97.5Very high49 Ų4956.6 Ų56.625%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-98124.2178.3-53.2170.3000107.3L3 V239 E241 T244 C252L3-I5 HydrophobicContact CD2-CD1 4.36Å; L3-I5 HydrophobicContact CD2-CG1 4.34Å; L3-I5 HydrophobicContact CG-CG1 4.19Å; I5-V239 HydrophobicContact CB-CG2 4.29Å; I5-V239 HydrophobicContact CG1-CG2 3.87Å; I5-V239 HydrophobicContact CG2-CG2 4.44Å; I5-E241 HydrophobicContact CG2-CG 4.29Å; I5-T244 HydrophobicContact CD1-CG2 4.07Å; I5-T244 HydrophobicContact CG1-CG2 4.04Å; I5-T244 HydrophobicContact CG2-CG2 3.92Å; I5-C252 HydrophobicContact CD1-CB 3.91Å
6L97.6Very high97.6Very high27 Ų2753.1 Ų53.114%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-122.1163.4179.6-62.7171.6000109.2L4 E11 V12 W15 V238 V239 D240 E241L4-L6 HydrophobicContact CD1-CD2 4.46Å; L4-L6 HydrophobicContact CD2-CD1 4.03Å; L4-L6 HydrophobicContact CD2-CD2 4.14Å; L4-L6 HydrophobicContact CD2-CG 4.17Å; L4-L6 HydrophobicContact CG-CD1 4.42Å; L4-L6 HydrophobicContact CG-CD2 4.11Å; L4-L6 HydrophobicContact CG-CG 4.07Å; L6-E11 HydrophobicContact CB-CB 3.86Å; L6-E11 HydrophobicContact CD1-CB 4.3Å; L6-V12 HydrophobicContact CB-CG2 4.16Å; L6-V12 HydrophobicContact CD1-CG2 4.13Å; L6-W15 HydrophobicContact CD1-CB 3.63Å; L6-W15 HydrophobicContact CD1-CG 4.1Å; L6-V238 HydrophobicContact CD1-CG1 3.72Å; L6-V239 PolarHBondContact N-O 2.95Å; L6-D240 CarbonylContact O-C 3.39Å; L6-D240 VanDerWaalsContact O-CA 3.27Å; L6-D240 WeakPolarHBondContact O-CA 3.37Å; L6-E241 PolarHBondContact O-N 3.34Å
7E96.8Very high97.7Very high129 Ų12949.9 Ų49.960%0.60324%0.243SC*.SBendtrans-64.8-46.8-171-169.3169.6175.700111.7E11E7-E11 PolarHBondContact N-OE2 3.21Å
8D97.9Very high97.8Very high64 Ų6453.6 Ų53.634%0.34226%0.257SS..SBendtrans-146.7172.5-170.172.330.9000113.4E10 E11 V12D8-E10 PolarHBondContact O-N 3.1Å; D8-E10 VanDerWaalsContact OD1-CA 3.32Å; D8-E10 WeakPolarHBondContact OD1-CA 3.41Å; D8-E10 VanDerWaalsContact OD1-CB 3.28Å; D8-E10 WeakPolarHBondContact OD1-CB 3.48Å; D8-E10 PolarHBondContact OD1-N 2.92Å; D8-E11 PolarHBondContact O-N 3.29Å; D8-E11 PolarHBondContact OD1-N 3.05Å; D8-V12 WeakPolarHBondContact O-CG2 3.2Å; D8-V12 PolarHBondContact O-N 3.28Å; D8-V12 VanDerWaalsContact O-N 3.15Å
9P98.3Very high97.8Very high70 Ų7052.3 Ų52.346%0.45525%0.25SC..Hα-helixtrans-59-26.5177.3-26.934.8000115.2A13 T204 D240P9-A13 WeakPolarHBondContact O-CB 3.45Å; P9-A13 PolarHBondContact O-N 3.48Å; P9-T204 HydrophobicContact CB-CG2 4.01Å; P9-T204 HydrophobicContact CG-CG2 4.37Å; P9-D240 WeakPolarHBondContact CG-OD2 3.47Å
10E98.4Very high97.9Very high81 Ų8149.7 Ų49.738%0.37924%0.237SC..Hα-helixtrans-75-41.5179.3-178.757.9-145.500110.6D8 V12 A13 V14 R51D8-E10 PolarHBondContact O-N 3.1Å; D8-E10 VanDerWaalsContact OD1-CA 3.32Å; D8-E10 WeakPolarHBondContact OD1-CA 3.41Å; D8-E10 VanDerWaalsContact OD1-CB 3.28Å; D8-E10 WeakPolarHBondContact OD1-CB 3.48Å; D8-E10 PolarHBondContact OD1-N 2.92Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.93Å; E10-A13 WeakPolarHBondContact O-CB 3.27Å; E10-A13 PolarHBondContact O-N 2.69Å; E10-V14 WeakPolarHBondContact O-CG2 3.29Å; E10-V14 PolarHBondContact O-N 2.84Å; E10-R51 IonicContact OE1-CZ 2.7Å; E10-R51 IonicContact OE1-NE 3.24Å; E10-R51 PolarHBondContact OE1-NE 3Å; E10-R51 IonicContact OE1-NH2 3.61Å; E10-R51 PolarHBondContact OE1-NH2 3.18Å
11E98.6Very high97.9Very high82 Ų8249.2 Ų49.238%0.38324%0.235SC..Hα-helixtrans-61.2-42.6172.2-67.4-148.7155.300111.7L6 E7 D8 A13 V14 W15L6-E11 HydrophobicContact CB-CB 3.86Å; L6-E11 HydrophobicContact CD1-CB 4.3Å; E7-E11 PolarHBondContact N-OE2 3.21Å; D8-E11 PolarHBondContact O-N 3.29Å; D8-E11 PolarHBondContact OD1-N 3.05Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 3.35Å; E11-V14 PolarHBondContact O-N 2.94Å; E11-W15 WeakPolarHBondContact O-CB 3.49Å; E11-W15 PolarHBondContact O-N 3.35Å
12V98.7Very high98.2Very high3 Ų350.2 Ų50.22%0.01824%0.237CC..Hα-helixtrans-55.6-481731710000110.8L6 D8 E10 W15 A16 L202 T204 V238 V239 D240L6-V12 HydrophobicContact CB-CG2 4.16Å; L6-V12 HydrophobicContact CD1-CG2 4.13Å; D8-V12 WeakPolarHBondContact O-CG2 3.2Å; D8-V12 PolarHBondContact O-N 3.28Å; D8-V12 VanDerWaalsContact O-N 3.15Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.93Å; V12-W15 PolarHBondContact O-N 3.45Å; V12-A16 WeakPolarHBondContact O-CB 3.49Å; V12-A16 PolarHBondContact O-N 3.21Å; V12-L202 HydrophobicContact CG1-CB 4.46Å; V12-L202 HydrophobicContact CG1-CD2 4.3Å; V12-T204 HydrophobicContact CB-CG2 4.1Å; V12-T204 HydrophobicContact CG1-CG2 3.91Å; V12-T204 HydrophobicContact CG2-CG2 4.15Å; V12-V238 HydrophobicContact CB-CG1 4.33Å; V12-V238 HydrophobicContact CG1-CB 4.39Å; V12-V238 HydrophobicContact CG1-CG1 3.91Å; V12-V238 HydrophobicContact CG2-CG1 4.3Å; V12-V239 VanDerWaalsContact CG2-C 3.47Å; V12-D240 HydrophobicContact CG2-CB 4.17Å
13A98.7Very high98.3Very high4 Ų447.2 Ų47.23%0.03323%0.227CC..Hα-helixtrans-60.9-47.8178.100000112.8P9 E10 E11 A17 G47P9-A13 WeakPolarHBondContact O-CB 3.45Å; P9-A13 PolarHBondContact O-N 3.48Å; E10-A13 WeakPolarHBondContact O-CB 3.27Å; E10-A13 PolarHBondContact O-N 2.69Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 3.35Å; A13-A17 WeakPolarHBondContact O-CB 3.39Å; A13-A17 PolarHBondContact O-N 3.16Å; A13-G47 VanDerWaalsContact CB-C 3.43Å
14V98.7Very high98.4Very high35 Ų3547.2 Ų47.221%0.21223%0.228CC..Hα-helixtrans-63.4-45.4179.4170.80000111.1E10 E11 A17 K18 R51E10-V14 WeakPolarHBondContact O-CG2 3.29Å; E10-V14 PolarHBondContact O-N 2.84Å; E11-V14 PolarHBondContact O-N 2.94Å; V14-A17 PolarHBondContact O-N 3.32Å; V14-K18 HydrophobicContact CG1-CD 4.05Å; V14-K18 WeakPolarHBondContact O-CB 3.35Å; V14-K18 WeakPolarHBondContact O-CG 3.31Å; V14-K18 PolarHBondContact O-N 3.05Å; V14-R51 HydrophobicContact CG2-CG 4.09Å
15W98.8Very high98.4Very high59 Ų5948.4 Ų48.422%0.22324%0.237CC..Hα-helixtrans-64.1-47.8179.8-169.398.7000111.3L4 L6 E11 V12 A17 K18 Y19 M200 I236 V238L4-W15 VanDerWaalsContact CD2-CD1 3.5Å; L4-W15 HydrophobicContact CD2-CD2 3.39Å; L4-W15 HydrophobicContact CD2-CE3 4.04Å; L4-W15 HydrophobicContact CD2-CG 3.62Å; L4-W15 HydrophobicContact CD2-CH2 4.32Å; L4-W15 HydrophobicContact CD2-CZ2 3.71Å; L4-W15 HydrophobicContact CD2-CZ3 4.47Å; L6-W15 HydrophobicContact CD1-CB 3.63Å; L6-W15 HydrophobicContact CD1-CG 4.1Å; E11-W15 WeakPolarHBondContact O-CB 3.49Å; E11-W15 PolarHBondContact O-N 3.35Å; V12-W15 PolarHBondContact O-N 3.45Å; W15-A17 VanDerWaalsContact C-N 3.34Å; W15-A17 PolarHBondContact O-N 3.45Å; W15-K18 PolarHBondContact O-N 2.99Å; W15-Y19 HydrophobicContact CH2-CD1 4.29Å; W15-Y19 AromaticContact CH2-CD2 3.47Å; W15-Y19 HydrophobicContact CH2-CD2 3.47Å; W15-Y19 VanDerWaalsContact CH2-CD2 3.47Å; W15-Y19 AromaticContact CH2-CE2 3.93Å; W15-Y19 HydrophobicContact CH2-CE2 3.93Å; W15-Y19 AromaticContact CH2-CG 3.68Å; W15-Y19 HydrophobicContact CH2-CG 3.68Å; W15-Y19 AromaticContact CZ2-CD2 3.9Å; W15-Y19 HydrophobicContact CZ2-CD2 3.9Å; W15-Y19 HydrophobicContact CZ2-CE2 4.39Å; W15-Y19 HydrophobicContact CZ2-CG 4.43Å; W15-Y19 HydrophobicContact CZ3-CD1 4.24Å; W15-Y19 HydrophobicContact CZ3-CD2 4.02Å; W15-Y19 AromaticContact CZ3-CG 3.74Å; W15-Y19 HydrophobicContact CZ3-CG 3.74Å; W15-Y19 WeakPolarHBondContact O-CB 3.35Å; W15-Y19 PolarHBondContact O-N 3Å; W15-M200 HydrophobicContact CE3-SD 4.4Å; W15-M200 HydrophobicContact CZ3-SD 3.8Å; W15-I236 HydrophobicContact CH2-CG2 4.21Å; W15-I236 HydrophobicContact CZ3-CG2 4.41Å; W15-V238 HydrophobicContact CD2-CG1 4.4Å; W15-V238 HydrophobicContact CE3-CB 4.37Å; W15-V238 HydrophobicContact CE3-CG1 3.89Å; W15-V238 HydrophobicContact CE3-CG2 3.51Å; W15-V238 HydrophobicContact CH2-CG2 4.32Å; W15-V238 HydrophobicContact CZ3-CG2 3.36Å
16A98.9Very high98.5Very high0 Ų050.7 Ų50.70%025%0.249CC..Hα-helixtrans-58.5-45.4178.700000111.6V12 Y19 V20 M48 M200 L202V12-A16 WeakPolarHBondContact O-CB 3.49Å; V12-A16 PolarHBondContact O-N 3.21Å; A16-Y19 WeakPolarHBondContact O-CB 3.29Å; A16-Y19 PolarHBondContact O-N 3.28Å; A16-V20 WeakPolarHBondContact O-CG2 3.37Å; A16-V20 PolarHBondContact O-N 2.84Å; A16-M48 HydrophobicContact CB-CB 4.36Å; A16-M48 HydrophobicContact CB-CG 3.96Å; A16-M48 HydrophobicContact CB-SD 3.81Å; A16-M200 HydrophobicContact CB-CE 3.84Å; A16-M200 HydrophobicContact CB-SD 4.27Å; A16-L202 HydrophobicContact CB-CD1 4.22Å; A16-L202 HydrophobicContact CB-CD2 3.62Å
17A98.9Very high98.6Very high0 Ų050.7 Ų50.70%025%0.248CC..Hα-helixtrans-64.6-43178.600000112A13 V14 W15 Y19 V20 M21 M48 R51 L52 F55A13-A17 WeakPolarHBondContact O-CB 3.39Å; A13-A17 PolarHBondContact O-N 3.16Å; V14-A17 PolarHBondContact O-N 3.32Å; W15-A17 VanDerWaalsContact C-N 3.34Å; W15-A17 PolarHBondContact O-N 3.45Å; A17-Y19 VanDerWaalsContact C-N 3.27Å; A17-Y19 PolarHBondContact O-N 2.93Å; A17-V20 PolarHBondContact O-N 3.3Å; A17-M21 WeakPolarHBondContact O-CB 3.38Å; A17-M21 PolarHBondContact O-N 3.15Å; A17-M48 HydrophobicContact CB-CG 3.98Å; A17-R51 HydrophobicContact CB-CB 3.43Å; A17-R51 VanDerWaalsContact CB-CB 3.43Å; A17-R51 HydrophobicContact CB-CG 4.46Å; A17-L52 HydrophobicContact CB-CD2 4.17Å; A17-L52 HydrophobicContact CB-CG 4.04Å; A17-F55 HydrophobicContact CB-CD2 4.43Å; A17-F55 HydrophobicContact CB-CE2 3.72Å; A17-F55 HydrophobicContact CB-CZ 4.5Å
18K98.8Very high98.6Very high115 Ų11552.3 Ų52.350%0.525%0.253SS..Hα-helixtrans-61.4-38.2174.8-76.9175.2178.5171.20111.4V14 W15 K22 F55V14-K18 HydrophobicContact CG1-CD 4.05Å; V14-K18 WeakPolarHBondContact O-CB 3.35Å; V14-K18 WeakPolarHBondContact O-CG 3.31Å; V14-K18 PolarHBondContact O-N 3.05Å; W15-K18 PolarHBondContact O-N 2.99Å; K18-K22 VanDerWaalsContact O-CB 3.31Å; K18-K22 WeakPolarHBondContact O-CB 3.41Å; K18-K22 PolarHBondContact O-N 3.45Å; K18-F55 HydrophobicContact CG-CE2 4.13Å; K18-F55 HydrophobicContact CG-CZ 3.87Å
19Y98.8Very high98.6Very high29 Ų2950.6 Ų50.611%0.11425%0.246CC..Hα-helixtrans-67-46.8178.5-162.5-106.9000112W15 A16 A17 K22 K23 E198 M200 I236W15-Y19 HydrophobicContact CH2-CD1 4.29Å; W15-Y19 AromaticContact CH2-CD2 3.47Å; W15-Y19 HydrophobicContact CH2-CD2 3.47Å; W15-Y19 VanDerWaalsContact CH2-CD2 3.47Å; W15-Y19 AromaticContact CH2-CE2 3.93Å; W15-Y19 HydrophobicContact CH2-CE2 3.93Å; W15-Y19 AromaticContact CH2-CG 3.68Å; W15-Y19 HydrophobicContact CH2-CG 3.68Å; W15-Y19 AromaticContact CZ2-CD2 3.9Å; W15-Y19 HydrophobicContact CZ2-CD2 3.9Å; W15-Y19 HydrophobicContact CZ2-CE2 4.39Å; W15-Y19 HydrophobicContact CZ2-CG 4.43Å; W15-Y19 HydrophobicContact CZ3-CD1 4.24Å; W15-Y19 HydrophobicContact CZ3-CD2 4.02Å; W15-Y19 AromaticContact CZ3-CG 3.74Å; W15-Y19 HydrophobicContact CZ3-CG 3.74Å; W15-Y19 WeakPolarHBondContact O-CB 3.35Å; W15-Y19 PolarHBondContact O-N 3Å; A16-Y19 WeakPolarHBondContact O-CB 3.29Å; A16-Y19 PolarHBondContact O-N 3.28Å; A17-Y19 VanDerWaalsContact C-N 3.27Å; A17-Y19 PolarHBondContact O-N 2.93Å; Y19-K22 PolarHBondContact O-N 2.84Å; Y19-K23 HydrophobicContact CD1-CG 4.23Å; Y19-K23 HydrophobicContact CE1-CD 4.38Å; Y19-K23 HydrophobicContact CE1-CG 4.09Å; Y19-K23 VanDerWaalsContact O-CG 3.31Å; Y19-K23 WeakPolarHBondContact O-CG 3.39Å; Y19-K23 PolarHBondContact O-N 3.39Å; Y19-K23 WeakPolarHBondContact OH-CE 3.12Å; Y19-K23 PolarHBondContact OH-NZ 2.65Å; Y19-E198 WeakPolarHBondContact CE1-OE1 3.18Å; Y19-E198 VanDerWaalsContact CZ-OE1 3.23Å; Y19-E198 PolarHBondContact OH-OE1 2.85Å; Y19-M200 HydrophobicContact CD1-SD 3.85Å; Y19-M200 HydrophobicContact CG-SD 4.4Å; Y19-I236 HydrophobicContact CE1-CD1 3.75Å; Y19-I236 HydrophobicContact CE2-CD1 4.32Å; Y19-I236 VanDerWaalsContact OH-CD1 3.25Å; Y19-I236 WeakPolarHBondContact OH-CD1 3.39Å
20V98.9Very high98.6Very high1 Ų149.4 Ų49.41%0.00624%0.239CC..Hα-helixtrans-58.6-49.2173.9170.70000110.7A16 A17 K22 K23 I24 L37 M48 L52 L133 V135 M200A16-V20 WeakPolarHBondContact O-CG2 3.37Å; A16-V20 PolarHBondContact O-N 2.84Å; A17-V20 PolarHBondContact O-N 3.3Å; V20-K22 VanDerWaalsContact C-N 3.31Å; V20-K22 PolarHBondContact O-N 3.19Å; V20-K23 PolarHBondContact O-N 2.9Å; V20-I24 HydrophobicContact CG1-CD1 3.75Å; V20-I24 WeakPolarHBondContact O-CG1 3.38Å; V20-I24 PolarHBondContact O-N 3.46Å; V20-L37 HydrophobicContact CG1-CD1 4.38Å; V20-L37 HydrophobicContact CG1-CD2 4.18Å; V20-M48 HydrophobicContact CG2-SD 4.06Å; V20-L52 HydrophobicContact CB-CD2 4.03Å; V20-L52 HydrophobicContact CG1-CD1 4.2Å; V20-L52 HydrophobicContact CG1-CD2 3.8Å; V20-L133 HydrophobicContact CG2-CD2 3.8Å; V20-V135 HydrophobicContact CG2-CG2 4.04Å; V20-M200 HydrophobicContact CG2-CE 3.82Å
21M98.8Very high98.6Very high39 Ų3952.7 Ų52.719%0.19225%0.254CS..Hα-helixtrans-55.7-46.3176.2179.1-176.169.700111.5A17 I24 T25 F55 K60 L61A17-M21 WeakPolarHBondContact O-CB 3.38Å; A17-M21 PolarHBondContact O-N 3.15Å; M21-I24 PolarHBondContact O-N 2.67Å; M21-T25 HydrophobicContact CG-CG2 4.36Å; M21-T25 WeakPolarHBondContact O-CB 3.22Å; M21-T25 VanDerWaalsContact O-CG2 3.31Å; M21-T25 WeakPolarHBondContact O-CG2 3.23Å; M21-T25 PolarHBondContact O-N 3.18Å; M21-T25 PolarHBondContact O-OG1 2.72Å; M21-F55 HydrophobicContact CB-CD2 4.1Å; M21-F55 HydrophobicContact CG-CD2 4.4Å; M21-F55 HydrophobicContact SD-CB 4.01Å; M21-F55 HydrophobicContact SD-CD1 4.42Å; M21-F55 HydrophobicContact SD-CD2 3.69Å; M21-F55 HydrophobicContact SD-CE2 4.27Å; M21-F55 HydrophobicContact SD-CG 3.79Å; M21-K60 HydrophobicContact SD-CB 3.99Å; M21-L61 HydrophobicContact CB-CD1 4.49Å; M21-L61 HydrophobicContact CB-CD2 4.14Å; M21-L61 HydrophobicContact CG-CB 4.24Å; M21-L61 HydrophobicContact CG-CD1 4.18Å; M21-L61 HydrophobicContact CG-CD2 4.31Å; M21-L61 HydrophobicContact CG-CG 4.49Å
22K98.7Very high98.5Very high106 Ų10654.2 Ų54.246%0.46127%0.274SS..Hα-helixtrans-61.5-44.9177.7177.6168176.1510111.9K18 Y19 V20 I24 T25 D26K18-K22 VanDerWaalsContact O-CB 3.31Å; K18-K22 WeakPolarHBondContact O-CB 3.41Å; K18-K22 PolarHBondContact O-N 3.45Å; Y19-K22 PolarHBondContact O-N 2.84Å; V20-K22 VanDerWaalsContact C-N 3.31Å; V20-K22 PolarHBondContact O-N 3.19Å; K22-I24 VanDerWaalsContact C-N 3.35Å; K22-I24 PolarHBondContact O-N 2.77Å; K22-T25 WeakPolarHBondContact CA-OG1 3.43Å; K22-T25 PolarHBondContact O-N 3.22Å; K22-T25 PolarHBondContact O-OG1 3.07Å; K22-D26 VanDerWaalsContact CE-OD2 3.3Å; K22-D26 WeakPolarHBondContact CE-OD2 3.29Å; K22-D26 VanDerWaalsContact CG-OD2 3.32Å; K22-D26 WeakPolarHBondContact CG-OD2 3.31Å; K22-D26 VanDerWaalsContact NZ-CG 3.34Å; K22-D26 IonicContact NZ-OD1 2.74Å; K22-D26 PolarHBondContact NZ-OD1 2.57Å; K22-D26 IonicContact NZ-OD2 2.82Å; K22-D26 PolarHBondContact NZ-OD2 3.12Å; K22-D26 VanDerWaalsContact O-CB 3.23Å; K22-D26 WeakPolarHBondContact O-CB 3.41Å; K22-D26 PolarHBondContact O-N 3.34Å
23K98.8Very high98.4Very high56 Ų5660.4 Ų60.424%0.24330%0.297CS..Hα-helixtrans-62.7-42.2179.9-69.6-71.7174.1170.30112.1Y19 V20 F27 F35 L133 E198Y19-K23 HydrophobicContact CD1-CG 4.23Å; Y19-K23 HydrophobicContact CE1-CD 4.38Å; Y19-K23 HydrophobicContact CE1-CG 4.09Å; Y19-K23 VanDerWaalsContact O-CG 3.31Å; Y19-K23 WeakPolarHBondContact O-CG 3.39Å; Y19-K23 PolarHBondContact O-N 3.39Å; Y19-K23 WeakPolarHBondContact OH-CE 3.12Å; Y19-K23 PolarHBondContact OH-NZ 2.65Å; V20-K23 PolarHBondContact O-N 2.9Å; K23-F27 WeakPolarHBondContact O-CB 3.01Å; K23-F27 PolarHBondContact O-N 3.46Å; K23-F27 VanDerWaalsContact O-N 3.15Å; K23-F35 HydrophobicContact CB-CE2 4.04Å; K23-F35 HydrophobicContact CB-CZ 3.88Å; K23-L133 HydrophobicContact CB-CD2 4.47Å; K23-L133 HydrophobicContact CG-CD2 4.3Å; K23-E198 VanDerWaalsContact CE-OE2 3.29Å; K23-E198 WeakPolarHBondContact CE-OE2 3.28Å; K23-E198 IonicContact NZ-OE1 2.65Å; K23-E198 PolarHBondContact NZ-OE1 2.97Å; K23-E198 IonicContact NZ-OE2 3.37Å; K23-E198 PolarHBondContact NZ-OE2 3.48Å
24I98.8Very high98.4Very high4 Ų462.6 Ų62.62%0.02131%0.305CS..Hα-helixtrans-66.2-49.2176.9-65.2168000110.1V20 M21 K22 F27 K28 P29 F35 L61 F63 V66V20-I24 HydrophobicContact CG1-CD1 3.75Å; V20-I24 WeakPolarHBondContact O-CG1 3.38Å; V20-I24 PolarHBondContact O-N 3.46Å; M21-I24 PolarHBondContact O-N 2.67Å; K22-I24 VanDerWaalsContact C-N 3.35Å; K22-I24 PolarHBondContact O-N 2.77Å; I24-F27 PolarHBondContact O-N 3.2Å; I24-K28 PolarHBondContact O-N 3.49Å; I24-P29 HydrophobicContact CG2-CG 4.05Å; I24-P29 WeakPolarHBondContact O-CD 3.46Å; I24-F35 HydrophobicContact CD1-CD1 4.48Å; I24-F35 HydrophobicContact CG1-CD1 3.67Å; I24-F35 HydrophobicContact CG1-CD2 4.44Å; I24-F35 HydrophobicContact CG1-CE1 3.79Å; I24-F35 HydrophobicContact CG1-CG 4.02Å; I24-F35 HydrophobicContact CG1-CZ 4.22Å; I24-L61 HydrophobicContact CB-CD1 3.91Å; I24-L61 HydrophobicContact CD1-CD1 4.04Å; I24-L61 HydrophobicContact CG2-CD1 3.74Å; I24-F63 HydrophobicContact CD1-CE1 4.07Å; I24-V66 HydrophobicContact CD1-CG2 4.22Å; I24-V66 HydrophobicContact CG1-CG2 4.5Å; I24-V66 HydrophobicContact CG2-CG2 4.1Å
25T98.4Very high98.4Very high64 Ų6461.2 Ų61.239%0.39330%0.296SS..Hα-helixtrans-68.5-39.7-176.551.90000113.1M21 K22 F27 K28 L61M21-T25 HydrophobicContact CG-CG2 4.36Å; M21-T25 WeakPolarHBondContact O-CB 3.22Å; M21-T25 VanDerWaalsContact O-CG2 3.31Å; M21-T25 WeakPolarHBondContact O-CG2 3.23Å; M21-T25 PolarHBondContact O-N 3.18Å; M21-T25 PolarHBondContact O-OG1 2.72Å; K22-T25 WeakPolarHBondContact CA-OG1 3.43Å; K22-T25 PolarHBondContact O-N 3.22Å; K22-T25 PolarHBondContact O-OG1 3.07Å; T25-F27 VanDerWaalsContact C-N 3.3Å; T25-F27 PolarHBondContact O-N 2.98Å; T25-K28 VanDerWaalsContact O-CG 3.27Å; T25-K28 WeakPolarHBondContact O-CG 3.29Å; T25-K28 PolarHBondContact O-N 3.42Å; T25-L61 HydrophobicContact CG2-CD1 4.42Å
26D98.5Very high98.4Very high96 Ų9658.4 Ų58.451%0.51329%0.285SS..Hα-helixtrans-64.5-35.2174.2-72.7-14.6000111.8K22 K28K22-D26 VanDerWaalsContact CE-OD2 3.3Å; K22-D26 WeakPolarHBondContact CE-OD2 3.29Å; K22-D26 VanDerWaalsContact CG-OD2 3.32Å; K22-D26 WeakPolarHBondContact CG-OD2 3.31Å; K22-D26 VanDerWaalsContact NZ-CG 3.34Å; K22-D26 IonicContact NZ-OD1 2.74Å; K22-D26 PolarHBondContact NZ-OD1 2.57Å; K22-D26 IonicContact NZ-OD2 2.82Å; K22-D26 PolarHBondContact NZ-OD2 3.12Å; K22-D26 VanDerWaalsContact O-CB 3.23Å; K22-D26 WeakPolarHBondContact O-CB 3.41Å; K22-D26 PolarHBondContact O-N 3.34Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.87Å
27F98.6Very high98.5Very high28 Ų2858.4 Ų58.412%0.12329%0.285CS..Hα-helixtrans-69.5-27.7178.4-177.1-93.9000112.9K23 I24 T25 P29 R33 Y34 F35 H132K23-F27 WeakPolarHBondContact O-CB 3.01Å; K23-F27 PolarHBondContact O-N 3.46Å; K23-F27 VanDerWaalsContact O-N 3.15Å; I24-F27 PolarHBondContact O-N 3.2Å; T25-F27 VanDerWaalsContact C-N 3.3Å; T25-F27 PolarHBondContact O-N 2.98Å; F27-P29 HydrophobicContact CD1-CB 3.98Å; F27-P29 HydrophobicContact CE1-CB 4.26Å; F27-R33 HydrophobicContact CE1-CG 3.79Å; F27-R33 VanDerWaalsContact CE2-CZ 3.49Å; F27-R33 HydrophobicContact CZ-CG 3.7Å; F27-R33 PolarHBondContact O-NH1 2.84Å; F27-Y34 WeakPolarHBondContact CE1-O 3.45Å; F27-Y34 WeakPolarHBondContact CZ-O 3.03Å; F27-F35 HydrophobicContact CB-CD2 3.68Å; F27-F35 HydrophobicContact CB-CE2 4.23Å; F27-F35 HydrophobicContact CD1-CB 3.9Å; F27-F35 AromaticContact CD1-CD2 3.93Å; F27-F35 HydrophobicContact CD1-CD2 3.93Å; F27-F35 HydrophobicContact CD1-CG 4.44Å; F27-F35 HydrophobicContact CD2-CD2 4.12Å; F27-F35 HydrophobicContact CE1-CB 4.16Å; F27-F35 AromaticContact CG-CD2 3.66Å; F27-F35 HydrophobicContact CG-CD2 3.66Å; F27-F35 HydrophobicContact CG-CE2 4.47Å; F27-H132 AromaticContact CE2-CD2 3.45Å; F27-H132 VanDerWaalsContact CE2-CD2 3.45Å; F27-H132 WeakPolarHBondContact CE2-CD2 3.3Å; F27-H132 AromaticContact CE2-NE2 3.2Å; F27-H132 WeakPolarHBondContact CE2-NE2 3.32Å; F27-H132 AromaticContact CZ-CE1 3.94Å; F27-H132 AromaticContact CZ-NE2 3.41Å; F27-H132 WeakPolarHBondContact CZ-NE2 3.28Å
28K98.2Very high98.5Very high163 Ų16358.4 Ų58.471%0.70929%0.285SS*.  trans54.663.4-178.5-57.6178-177.6-179.40112.1I24 T25 D26I24-K28 PolarHBondContact O-N 3.49Å; T25-K28 VanDerWaalsContact O-CG 3.27Å; T25-K28 WeakPolarHBondContact O-CG 3.29Å; T25-K28 PolarHBondContact O-N 3.42Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.87Å
29P98.4Very high98.5Very high28 Ų2852.9 Ų52.918%0.18226%0.261CS..  trans-65149-176.930.5-37.5000111.5I24 F27 R33 F35 Y65I24-P29 HydrophobicContact CG2-CG 4.05Å; I24-P29 WeakPolarHBondContact O-CD 3.46Å; F27-P29 HydrophobicContact CD1-CB 3.98Å; F27-P29 HydrophobicContact CE1-CB 4.26Å; P29-R33 CarbonylContact C-O 3.57Å; P29-R33 VanDerWaalsContact CA-O 3.24Å; P29-R33 WeakPolarHBondContact CA-O 3.3Å; P29-F35 HydrophobicContact CB-CB 4.11Å; P29-F35 HydrophobicContact CG-CB 4.42Å; P29-Y65 WeakPolarHBondContact CB-O 3.45Å
30S98.3Very high98.4Very high44 Ų4451.7 Ų51.731%0.30826%0.257SS..BIsolated β-bridgetrans-145.8174-179.368.30000110S32 R33 Y65S30-S32 PolarHBondContact O-N 3.34Å; S30-S32 VanDerWaalsContact O-N 3.1Å; S30-S32 PolarHBondContact OG-OG 3.07Å; S30-R33 PolarHBondContact N-O 2.83Å; S30-R33 CarbonylContact O-C 3.47Å; S30-R33 PolarHBondContact O-N 3.33Å; S30-R33 VanDerWaalsContact O-O 3.12Å; S30-Y65 VanDerWaalsContact C-CG 3.49Å
31E96.9Very high98.3Very high150 Ų15052.6 Ų52.670%0.70126%0.262SS*.THydrogen-bonded Turntrans-55.2-29.3177.6-173.6172.1-156.700113.7Y34 Y65E31-Y34 VanDerWaalsContact O-CE2 3.27Å; E31-Y34 WeakPolarHBondContact O-CE2 3.35Å; E31-Y65 HydrophobicContact CB-CD1 4.37Å; E31-Y65 HydrophobicContact CB-CE1 3.74Å; E31-Y65 HydrophobicContact CG-CE1 4.46Å
32S96.8Very high98Very high115 Ų11552.5 Ų52.580%0.80427%0.271SS*.THydrogen-bonded Turntrans-91.6-8.5177.565.50000114.2S30S30-S32 PolarHBondContact O-N 3.34Å; S30-S32 VanDerWaalsContact O-N 3.1Å; S30-S32 PolarHBondContact OG-OG 3.07Å
33R97.6Very high97.8Very high133 Ų13352 Ų5250%0.50228%0.281SS..BIsolated β-bridgetrans-153.692.7-171.2-171177.7177.8-125.71.9110.9F27 P29 S30F27-R33 HydrophobicContact CE1-CG 3.79Å; F27-R33 VanDerWaalsContact CE2-CZ 3.49Å; F27-R33 HydrophobicContact CZ-CG 3.7Å; F27-R33 PolarHBondContact O-NH1 2.84Å; P29-R33 CarbonylContact C-O 3.57Å; P29-R33 VanDerWaalsContact CA-O 3.24Å; P29-R33 WeakPolarHBondContact CA-O 3.3Å; S30-R33 PolarHBondContact N-O 2.83Å; S30-R33 CarbonylContact O-C 3.47Å; S30-R33 PolarHBondContact O-N 3.33Å; S30-R33 VanDerWaalsContact O-O 3.12Å
34Y98.7Very high97.6Very high49 Ų4950.7 Ų50.719%0.19228%0.278CS..  trans-80144.2-179.3-76.2-100.1000111.9F27 E31 Y65 K67 N103F27-Y34 WeakPolarHBondContact CE1-O 3.45Å; F27-Y34 WeakPolarHBondContact CZ-O 3.03Å; E31-Y34 VanDerWaalsContact O-CE2 3.27Å; E31-Y34 WeakPolarHBondContact O-CE2 3.35Å; Y34-Y65 WeakPolarHBondContact CA-O 3.42Å; Y34-Y65 VanDerWaalsContact CD1-O 3.29Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.4Å; Y34-Y65 HydrophobicContact CE1-CD1 4.06Å; Y34-Y65 AromaticContact CZ-CD1 3.98Å; Y34-K67 HydrophobicContact CD1-CD 4.5Å; Y34-K67 HydrophobicContact CD1-CG 3.8Å; Y34-K67 HydrophobicContact CG-CD 4.38Å; Y34-K67 HydrophobicContact CG-CG 4.1Å; Y34-N103 VanDerWaalsContact CE1-ND2 3.29Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.37Å
35F98.9Very high97.6Very high6 Ų650.6 Ų50.63%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-82.2133.4162.5-173.6-87.1000108.5K23 I24 F27 P29 L37 Y65 V66 K67 H132 L133K23-F35 HydrophobicContact CB-CE2 4.04Å; K23-F35 HydrophobicContact CB-CZ 3.88Å; I24-F35 HydrophobicContact CD1-CD1 4.48Å; I24-F35 HydrophobicContact CG1-CD1 3.67Å; I24-F35 HydrophobicContact CG1-CD2 4.44Å; I24-F35 HydrophobicContact CG1-CE1 3.79Å; I24-F35 HydrophobicContact CG1-CG 4.02Å; I24-F35 HydrophobicContact CG1-CZ 4.22Å; F27-F35 HydrophobicContact CB-CD2 3.68Å; F27-F35 HydrophobicContact CB-CE2 4.23Å; F27-F35 HydrophobicContact CD1-CB 3.9Å; F27-F35 AromaticContact CD1-CD2 3.93Å; F27-F35 HydrophobicContact CD1-CD2 3.93Å; F27-F35 HydrophobicContact CD1-CG 4.44Å; F27-F35 HydrophobicContact CD2-CD2 4.12Å; F27-F35 HydrophobicContact CE1-CB 4.16Å; F27-F35 AromaticContact CG-CD2 3.66Å; F27-F35 HydrophobicContact CG-CD2 3.66Å; F27-F35 HydrophobicContact CG-CE2 4.47Å; P29-F35 HydrophobicContact CB-CB 4.11Å; P29-F35 HydrophobicContact CG-CB 4.42Å; F35-L37 HydrophobicContact CD1-CB 4.17Å; F35-L37 HydrophobicContact CE1-CB 4.02Å; F35-L37 HydrophobicContact CE1-CD1 4.11Å; F35-Y65 PolarHBondContact N-O 3.18Å; F35-V66 HydrophobicContact CB-CG2 4.39Å; F35-V66 CarbonylContact O-C 3.59Å; F35-V66 VanDerWaalsContact O-CA 3.3Å; F35-V66 WeakPolarHBondContact O-CA 3.21Å; F35-K67 PolarHBondContact O-N 3.17Å; F35-H132 HydrophobicContact CD2-CB 4.06Å; F35-H132 HydrophobicContact CE1-CB 4.24Å; F35-H132 HydrophobicContact CE2-CB 3.65Å; F35-H132 HydrophobicContact CZ-CB 3.75Å; F35-L133 HydrophobicContact CE1-CB 4.27Å; F35-L133 HydrophobicContact CZ-CB 3.89Å
36V98.9Very high97.5Very high0 Ų050 Ų500%027%0.272CS..EExtended strand (participates in β ladder)trans-110.6118.6-177.5-1720000109.3K67 F69 A128 G130 I131 H132 L133V36-K67 CarbonylContact C-O 3.57Å; V36-K67 WeakPolarHBondContact CA-O 3.42Å; V36-K67 HydrophobicContact CG2-CB 4.47Å; V36-F69 HydrophobicContact CG1-CD2 3.62Å; V36-F69 HydrophobicContact CG1-CE2 3.64Å; V36-A128 HydrophobicContact CG1-CB 4.38Å; V36-A128 HydrophobicContact CG2-CB 3.93Å; V36-G130 WeakPolarHBondContact CB-O 3.46Å; V36-I131 HydrophobicContact CG1-CB 4.49Å; V36-I131 HydrophobicContact CG1-CG1 4.02Å; V36-H132 WeakPolarHBondContact CB-ND1 3.21Å; V36-H132 PolarHBondContact N-ND1 2.82Å; V36-H132 WeakPolarHBondContact O-CB 3.43Å; V36-H132 PolarHBondContact O-N 2.97Å; V36-L133 PolarHBondContact O-N 3.1Å
37L98.9Very high97.5Very high0 Ų046.2 Ų46.20%026%0.256CS..EExtended strand (participates in β ladder)trans-118.8122.3-172.1-178.465.9000110.8V20 F35 L39 V66 K67 T68 F69 L133 V135V20-L37 HydrophobicContact CG1-CD1 4.38Å; V20-L37 HydrophobicContact CG1-CD2 4.18Å; F35-L37 HydrophobicContact CD1-CB 4.17Å; F35-L37 HydrophobicContact CE1-CB 4.02Å; F35-L37 HydrophobicContact CE1-CD1 4.11Å; L37-L39 HydrophobicContact CD1-CD2 4.46Å; L37-L39 HydrophobicContact CD2-CD1 4.36Å; L37-L39 HydrophobicContact CD2-CD2 3.73Å; L37-L39 HydrophobicContact CD2-CG 4.15Å; L37-L39 HydrophobicContact CG-CD2 3.83Å; L37-L39 HydrophobicContact CG-CG 4.06Å; L37-V66 HydrophobicContact CB-CG1 4.08Å; L37-K67 PolarHBondContact N-O 3.42Å; L37-T68 HydrophobicContact CB-CG2 4.43Å; L37-T68 CarbonylContact O-C 3.56Å; L37-T68 WeakPolarHBondContact O-CA 3.47Å; L37-F69 PolarHBondContact O-N 2.9Å; L37-L133 CarbonylContact C-O 3.57Å; L37-L133 WeakPolarHBondContact CA-O 3.42Å; L37-L133 HydrophobicContact CD1-CB 4.12Å; L37-L133 HydrophobicContact CD1-CD2 4.08Å; L37-L133 HydrophobicContact CD1-CG 4.15Å; L37-V135 HydrophobicContact CD1-CG2 4.25Å
38G98.9Very high97.5Very high0 Ų045 Ų450%025%0.25CS..EExtended strand (participates in β ladder)trans-86.1132.8169.800000110.8F69 L133 V135G38-F69 CarbonylContact C-O 3.56Å; G38-F69 VanDerWaalsContact CA-O 3.26Å; G38-F69 WeakPolarHBondContact CA-O 3.44Å; G38-L133 PolarHBondContact N-O 3.29Å; G38-V135 PolarHBondContact O-N 2.96Å
39L98.9Very high97.6Very high0 Ų037.2 Ų37.20%022%0.217CC..EExtended strand (participates in β ladder)trans-126.3139-172.9-71179.1000113L37 Y49 T68 F69 N70 M71 M89 F93 F94L37-L39 HydrophobicContact CD1-CD2 4.46Å; L37-L39 HydrophobicContact CD2-CD1 4.36Å; L37-L39 HydrophobicContact CD2-CD2 3.73Å; L37-L39 HydrophobicContact CD2-CG 4.15Å; L37-L39 HydrophobicContact CG-CD2 3.83Å; L37-L39 HydrophobicContact CG-CG 4.06Å; L39-Y49 HydrophobicContact CD1-CE1 4.42Å; L39-Y49 HydrophobicContact CD2-CE1 3.98Å; L39-T68 HydrophobicContact CD1-CG2 3.79Å; L39-F69 PolarHBondContact N-O 3.33Å; L39-N70 WeakPolarHBondContact O-CA 3.45Å; L39-N70 PolarHBondContact O-ND2 2.73Å; L39-M71 PolarHBondContact O-N 3.1Å; L39-M89 HydrophobicContact CB-CE 4.03Å; L39-M89 HydrophobicContact CD1-CE 3.69Å; L39-M89 HydrophobicContact CG-CE 4.48Å; L39-F93 HydrophobicContact CD1-CD1 4.05Å; L39-F93 HydrophobicContact CD1-CE1 3.84Å; L39-F94 HydrophobicContact CD1-CE1 3.94Å; L39-F94 HydrophobicContact CD1-CZ 4.1Å
40P98.3Very high97.6Very high4 Ų442.6 Ų42.63%0.02624%0.237CC..  trans-97.1167.1174.536.1-27.4000112.2P45 Y49 M71 V135P40-P45 HydrophobicContact CG-CB 3.96Å; P40-P45 HydrophobicContact CG-CG 4.05Å; P40-Y49 WeakPolarHBondContact CD-OH 3.43Å; P40-Y49 PolarHBondContact O-OH 3.15Å; P40-M71 HydrophobicContact CB-CE 4.48Å; P40-M71 HydrophobicContact CB-SD 3.89Å; P40-V135 WeakPolarHBondContact CD-O 3.36Å; P40-V135 HydrophobicContact CG-CG1 4.32Å; P40-V135 WeakPolarHBondContact CG-O 3.21Å
41T96.8Very high97.6Very high19 Ų1944.1 Ų44.112%0.11724%0.236CC..  trans-106-162.7165.464.80000110.4P45 Y85 Y88 M89T41-P45 WeakPolarHBondContact O-CD 3.36Å; T41-P45 VanDerWaalsContact O-CG 3.31Å; T41-P45 WeakPolarHBondContact O-CG 3.41Å; T41-Y85 HydrophobicContact CG2-CD1 4.18Å; T41-Y85 HydrophobicContact CG2-CD2 4.04Å; T41-Y85 HydrophobicContact CG2-CG 3.78Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.2Å; T41-Y88 HydrophobicContact CG2-CD1 3.67Å; T41-Y88 HydrophobicContact CG2-CE1 4.01Å; T41-Y88 HydrophobicContact CG2-CG 4.35Å; T41-M89 HydrophobicContact CG2-CG 4.19Å; T41-M89 HydrophobicContact CG2-SD 4.07Å
42G92.7Very high97.7Very high37 Ų3737 Ų3738%0.38120%0.203SC..SBendtrans89.4-175.6179.100000114P45 Y88G42-P45 WeakPolarHBondContact O-CD 3.35Å; G42-Y88 PolarHBondContact O-OH 2.89Å
43S92.8Very high97.8Very high95 Ų9532.5 Ų32.566%0.66417%0.17SC*.SBendtrans-78-37-174.752.20000113.4L46S43-L46 WeakPolarHBondContact O-CB 3.5Å; S43-L46 PolarHBondContact O-N 2.84Å
44T95.4Very high97.9Very high29 Ų2929.9 Ų29.918%0.17816%0.163CC..THydrogen-bonded Turntrans-54.7-46-175.9-56.70000114.5L46 L202 T204T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 3.22Å; T44-L202 HydrophobicContact CG2-CB 3.52Å; T44-T204 HydrophobicContact CG2-CG2 4.36Å
45P98Very high97.9Very high2 Ų228.6 Ų28.61%0.01316%0.158CC..THydrogen-bonded Turntrans-78.6-6.2-178.133.3-39.1000114.6P40 T41 G42 G47 M48 Y49P40-P45 HydrophobicContact CG-CB 3.96Å; P40-P45 HydrophobicContact CG-CG 4.05Å; T41-P45 WeakPolarHBondContact O-CD 3.36Å; T41-P45 VanDerWaalsContact O-CG 3.31Å; T41-P45 WeakPolarHBondContact O-CG 3.41Å; G42-P45 WeakPolarHBondContact O-CD 3.35Å; P45-G47 VanDerWaalsContact C-N 3.31Å; P45-G47 PolarHBondContact O-N 2.7Å; P45-M48 HydrophobicContact CB-CE 4.26Å; P45-M48 WeakPolarHBondContact O-CB 3.3Å; P45-M48 PolarHBondContact O-N 3.42Å; P45-M48 VanDerWaalsContact O-N 3.07Å; P45-Y49 HydrophobicContact CB-CD2 4.17Å; P45-Y49 HydrophobicContact CB-CE2 3.68Å; P45-Y49 HydrophobicContact CG-CD2 4.47Å; P45-Y49 HydrophobicContact CG-CE2 3.81Å; P45-Y49 WeakPolarHBondContact O-CD2 3.45Å; P45-Y49 PolarHBondContact O-N 2.87Å
46L98Very high97.9Very high52 Ų5231.6 Ų31.627%0.27217%0.17SC..Hα-helixtrans-59.1-40.6-175.5-74.7174000112.8S43 T44 Y49 K50 Y88 N92S43-L46 WeakPolarHBondContact O-CB 3.5Å; S43-L46 PolarHBondContact O-N 2.84Å; T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 3.22Å; L46-Y49 PolarHBondContact O-N 2.66Å; L46-K50 WeakPolarHBondContact O-CG 3.37Å; L46-K50 PolarHBondContact O-N 3.49Å; L46-K50 VanDerWaalsContact O-N 3.08Å; L46-Y88 HydrophobicContact CD2-CE2 4.2Å; L46-Y88 VanDerWaalsContact CD2-OH 3.24Å; L46-Y88 WeakPolarHBondContact CD2-OH 3.29Å; L46-N92 HydrophobicContact CD2-CB 4Å
47G98.3Very high97.8Very high17 Ų1737.7 Ų37.718%0.17520%0.198CC..Hα-helixtrans-61.6-45175.500000111.5A13 P45 Y49 K50 R51A13-G47 VanDerWaalsContact CB-C 3.43Å; P45-G47 VanDerWaalsContact C-N 3.31Å; P45-G47 PolarHBondContact O-N 2.7Å; G47-Y49 VanDerWaalsContact C-N 3.34Å; G47-Y49 PolarHBondContact O-N 3.48Å; G47-K50 PolarHBondContact O-N 2.86Å; G47-R51 WeakPolarHBondContact O-CG 3.39Å; G47-R51 PolarHBondContact O-N 3.43Å; G47-R51 VanDerWaalsContact O-N 3.13Å
48M98.8Very high97.8Very high1 Ų142.4 Ų42.41%0.00522%0.223CC..Hα-helixtrans-60-43.7176.8-177.3-171.766.800111.2A16 A17 V20 P45 K50 R51 L52 V135 M200 L202A16-M48 HydrophobicContact CB-CB 4.36Å; A16-M48 HydrophobicContact CB-CG 3.96Å; A16-M48 HydrophobicContact CB-SD 3.81Å; A17-M48 HydrophobicContact CB-CG 3.98Å; V20-M48 HydrophobicContact CG2-SD 4.06Å; P45-M48 HydrophobicContact CB-CE 4.26Å; P45-M48 WeakPolarHBondContact O-CB 3.3Å; P45-M48 PolarHBondContact O-N 3.42Å; P45-M48 VanDerWaalsContact O-N 3.07Å; M48-K50 PolarHBondContact O-N 3.39Å; M48-R51 PolarHBondContact O-N 2.89Å; M48-L52 HydrophobicContact CE-CD1 4.4Å; M48-L52 HydrophobicContact CG-CD1 4.04Å; M48-L52 HydrophobicContact CG-CG 4.38Å; M48-L52 WeakPolarHBondContact O-CG 3.45Å; M48-L52 PolarHBondContact O-N 2.92Å; M48-V135 HydrophobicContact CE-CB 4.46Å; M48-V135 HydrophobicContact CE-CG1 3.91Å; M48-V135 HydrophobicContact SD-CG1 4.02Å; M48-M200 HydrophobicContact SD-CE 4.16Å; M48-L202 HydrophobicContact SD-CD1 4.25Å
49Y98.9Very high97.8Very high1 Ų145.6 Ų45.60%0.00426%0.256CS..Hα-helixtrans-60.6-44.5177.5-67.9-44.3000112.5L39 P40 P45 L46 G47 R51 L52 I53 Y88 M89 F93L39-Y49 HydrophobicContact CD1-CE1 4.42Å; L39-Y49 HydrophobicContact CD2-CE1 3.98Å; P40-Y49 WeakPolarHBondContact CD-OH 3.43Å; P40-Y49 PolarHBondContact O-OH 3.15Å; P45-Y49 HydrophobicContact CB-CD2 4.17Å; P45-Y49 HydrophobicContact CB-CE2 3.68Å; P45-Y49 HydrophobicContact CG-CD2 4.47Å; P45-Y49 HydrophobicContact CG-CE2 3.81Å; P45-Y49 WeakPolarHBondContact O-CD2 3.45Å; P45-Y49 PolarHBondContact O-N 2.87Å; L46-Y49 PolarHBondContact O-N 2.66Å; G47-Y49 VanDerWaalsContact C-N 3.34Å; G47-Y49 PolarHBondContact O-N 3.48Å; Y49-R51 VanDerWaalsContact C-N 3.34Å; Y49-R51 PolarHBondContact O-N 2.97Å; Y49-L52 HydrophobicContact CD1-CD1 4.43Å; Y49-L52 PolarHBondContact O-N 3.26Å; Y49-I53 WeakPolarHBondContact O-CD1 3.46Å; Y49-I53 VanDerWaalsContact O-CG1 3.27Å; Y49-I53 WeakPolarHBondContact O-CG1 3.26Å; Y49-I53 PolarHBondContact O-N 3.36Å; Y49-Y88 HydrophobicContact CE2-CE1 4.19Å; Y49-M89 HydrophobicContact CE1-CE 4.36Å; Y49-M89 HydrophobicContact CE2-SD 4.37Å; Y49-F93 HydrophobicContact CD1-CB 4.02Å; Y49-F93 AromaticContact CD1-CD1 3.71Å; Y49-F93 HydrophobicContact CD1-CD1 3.71Å; Y49-F93 AromaticContact CD1-CD2 3.75Å; Y49-F93 HydrophobicContact CD1-CD2 3.75Å; Y49-F93 HydrophobicContact CD1-CE1 4.04Å; Y49-F93 HydrophobicContact CD1-CE2 4.09Å; Y49-F93 AromaticContact CD1-CG 3.56Å; Y49-F93 HydrophobicContact CD1-CG 3.56Å; Y49-F93 HydrophobicContact CD1-CZ 4.22Å; Y49-F93 HydrophobicContact CE1-CB 4.46Å; Y49-F93 AromaticContact CE1-CD1 3.73Å; Y49-F93 HydrophobicContact CE1-CD1 3.73Å; Y49-F93 HydrophobicContact CE1-CE1 4.05Å; Y49-F93 HydrophobicContact CE1-CG 4.04Å; Y49-F93 HydrophobicContact CG-CB 4.15Å; Y49-F93 HydrophobicContact CG-CD2 4.25Å; Y49-F93 HydrophobicContact CG-CG 4.12Å
50K98.7Very high97.7Very high141 Ų14151 Ų5161%0.61328%0.28SS*.Hα-helixtrans-56.5-47.6175.5-70.4173.5-178.4179.30111.6L46 G47 M48 L52 I53 E54L46-K50 WeakPolarHBondContact O-CG 3.37Å; L46-K50 PolarHBondContact O-N 3.49Å; L46-K50 VanDerWaalsContact O-N 3.08Å; G47-K50 PolarHBondContact O-N 2.86Å; M48-K50 PolarHBondContact O-N 3.39Å; K50-L52 PolarHBondContact O-N 3.34Å; K50-I53 WeakPolarHBondContact O-CB 3.49Å; K50-I53 PolarHBondContact O-N 3.26Å; K50-E54 WeakPolarHBondContact O-CG 3.25Å; K50-E54 PolarHBondContact O-N 2.89Å
51R98.8Very high97.7Very high75 Ų7551.3 Ų51.328%0.28328%0.281SS..Hα-helixtrans-66.5-36.1179-62.5-53.1-174.6-176.7-0.7113E10 V14 A17 G47 M48 Y49 E54 F55E10-R51 IonicContact OE1-CZ 2.7Å; E10-R51 IonicContact OE1-NE 3.24Å; E10-R51 PolarHBondContact OE1-NE 3Å; E10-R51 IonicContact OE1-NH2 3.61Å; E10-R51 PolarHBondContact OE1-NH2 3.18Å; V14-R51 HydrophobicContact CG2-CG 4.09Å; A17-R51 HydrophobicContact CB-CB 3.43Å; A17-R51 VanDerWaalsContact CB-CB 3.43Å; A17-R51 HydrophobicContact CB-CG 4.46Å; G47-R51 WeakPolarHBondContact O-CG 3.39Å; G47-R51 PolarHBondContact O-N 3.43Å; G47-R51 VanDerWaalsContact O-N 3.13Å; M48-R51 PolarHBondContact O-N 2.89Å; Y49-R51 VanDerWaalsContact C-N 3.34Å; Y49-R51 PolarHBondContact O-N 2.97Å; R51-E54 WeakPolarHBondContact CD-OE2 3.36Å; R51-E54 IonicContact CZ-OE2 2.73Å; R51-E54 IonicContact NE-OE2 2.62Å; R51-E54 IonicContact NH1-OE1 3.27Å; R51-E54 PolarHBondContact NH1-OE1 3.23Å; R51-E54 IonicContact NH1-OE2 3.56Å; R51-E54 PolarHBondContact NH1-OE2 3.32Å; R51-E54 PolarHBondContact O-N 2.9Å; R51-F55 HydrophobicContact CB-CE2 4.47Å; R51-F55 HydrophobicContact CB-CZ 4.45Å; R51-F55 VanDerWaalsContact O-CD2 3.31Å; R51-F55 WeakPolarHBondContact O-CD2 3.38Å; R51-F55 WeakPolarHBondContact O-CG 3.36Å; R51-F55 PolarHBondContact O-N 3.23Å
52L98.9Very high97.8Very high0 Ų052.9 Ų52.90%029%0.293CS..Hα-helixtrans-65-38.9174-72.8172.1000112.4A17 V20 M48 Y49 K50 F55 Y56 L61 F63 F93A17-L52 HydrophobicContact CB-CD2 4.17Å; A17-L52 HydrophobicContact CB-CG 4.04Å; V20-L52 HydrophobicContact CB-CD2 4.03Å; V20-L52 HydrophobicContact CG1-CD1 4.2Å; V20-L52 HydrophobicContact CG1-CD2 3.8Å; M48-L52 HydrophobicContact CE-CD1 4.4Å; M48-L52 HydrophobicContact CG-CD1 4.04Å; M48-L52 HydrophobicContact CG-CG 4.38Å; M48-L52 WeakPolarHBondContact O-CG 3.45Å; M48-L52 PolarHBondContact O-N 2.92Å; Y49-L52 HydrophobicContact CD1-CD1 4.43Å; Y49-L52 PolarHBondContact O-N 3.26Å; K50-L52 PolarHBondContact O-N 3.34Å; L52-F55 PolarHBondContact O-N 2.95Å; L52-Y56 PolarHBondContact O-N 3.35Å; L52-L61 HydrophobicContact CD2-CD2 3.67Å; L52-F63 HydrophobicContact CB-CZ 4.26Å; L52-F63 HydrophobicContact CD2-CZ 4.35Å; L52-F93 HydrophobicContact CB-CE2 3.78Å; L52-F93 HydrophobicContact CB-CZ 4.19Å; L52-F93 HydrophobicContact CD1-CE2 4.21Å; L52-F93 HydrophobicContact CD1-CZ 3.93Å
53I98.9Very high98.1Very high22 Ų2251.1 Ų51.111%0.11328%0.275CS..Hα-helixtrans-64.3-44.2174.6-66.9162.6000110.4Y49 K50 F55 Y56 H57 N92 F93 H96 I97Y49-I53 WeakPolarHBondContact O-CD1 3.46Å; Y49-I53 VanDerWaalsContact O-CG1 3.27Å; Y49-I53 WeakPolarHBondContact O-CG1 3.26Å; Y49-I53 PolarHBondContact O-N 3.36Å; K50-I53 WeakPolarHBondContact O-CB 3.49Å; K50-I53 PolarHBondContact O-N 3.26Å; I53-F55 PolarHBondContact O-N 2.89Å; I53-Y56 WeakPolarHBondContact O-CB 3.44Å; I53-Y56 PolarHBondContact O-N 2.99Å; I53-H57 WeakPolarHBondContact CG2-NE2 3.22Å; I53-H57 PolarHBondContact O-CD2 2.88Å; I53-H57 PolarHBondContact O-N 3.44Å; I53-N92 WeakPolarHBondContact CD1-O 3.49Å; I53-F93 HydrophobicContact CD1-CD2 4.2Å; I53-F93 HydrophobicContact CG1-CD2 3.93Å; I53-F93 HydrophobicContact CG1-CE2 4.24Å; I53-H96 HydrophobicContact CD1-CB 3.78Å; I53-H96 HydrophobicContact CG1-CB 3.87Å; I53-H96 HydrophobicContact CG2-CB 3.9Å; I53-I97 HydrophobicContact CG1-CG2 4.12Å
54E98.8Very high98.4Very high78 Ų7853.9 Ų53.936%0.36427%0.271SS..Hα-helixtrans-58.2-46.1174.3-70.8169.1-173.300111.6K50 R51 Y56 H57 D58K50-E54 WeakPolarHBondContact O-CG 3.25Å; K50-E54 PolarHBondContact O-N 2.89Å; R51-E54 WeakPolarHBondContact CD-OE2 3.36Å; R51-E54 IonicContact CZ-OE2 2.73Å; R51-E54 IonicContact NE-OE2 2.62Å; R51-E54 IonicContact NH1-OE1 3.27Å; R51-E54 PolarHBondContact NH1-OE1 3.23Å; R51-E54 IonicContact NH1-OE2 3.56Å; R51-E54 PolarHBondContact NH1-OE2 3.32Å; R51-E54 PolarHBondContact O-N 2.9Å; E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 PolarHBondContact O-N 3.3Å; E54-H57 PolarHBondContact O-N 2.93Å; E54-D58 WeakPolarHBondContact O-CB 3.47Å; E54-D58 PolarHBondContact O-N 3.04Å
55F98.8Very high98.6Very high21 Ų2155.2 Ų55.29%0.09227%0.273CS..Hα-helixtrans-63.2-32.6177.3-61-24.7000113.2A17 K18 M21 R51 L52 I53 G59 K60 L61A17-F55 HydrophobicContact CB-CD2 4.43Å; A17-F55 HydrophobicContact CB-CE2 3.72Å; A17-F55 HydrophobicContact CB-CZ 4.5Å; K18-F55 HydrophobicContact CG-CE2 4.13Å; K18-F55 HydrophobicContact CG-CZ 3.87Å; M21-F55 HydrophobicContact CB-CD2 4.1Å; M21-F55 HydrophobicContact CG-CD2 4.4Å; M21-F55 HydrophobicContact SD-CB 4.01Å; M21-F55 HydrophobicContact SD-CD1 4.42Å; M21-F55 HydrophobicContact SD-CD2 3.69Å; M21-F55 HydrophobicContact SD-CE2 4.27Å; M21-F55 HydrophobicContact SD-CG 3.79Å; R51-F55 HydrophobicContact CB-CE2 4.47Å; R51-F55 HydrophobicContact CB-CZ 4.45Å; R51-F55 VanDerWaalsContact O-CD2 3.31Å; R51-F55 WeakPolarHBondContact O-CD2 3.38Å; R51-F55 WeakPolarHBondContact O-CG 3.36Å; R51-F55 PolarHBondContact O-N 3.23Å; L52-F55 PolarHBondContact O-N 2.95Å; I53-F55 PolarHBondContact O-N 2.89Å; F55-G59 PolarHBondContact O-N 3.32Å; F55-K60 HydrophobicContact CB-CB 4.42Å; F55-K60 WeakPolarHBondContact O-CA 3.31Å; F55-K60 WeakPolarHBondContact O-CB 3.31Å; F55-K60 PolarHBondContact O-N 3.49Å; F55-L61 HydrophobicContact CB-CB 4.09Å; F55-L61 PolarHBondContact O-N 3.14Å
56Y98.8Very high98.6Very high70 Ų7055.1 Ų55.128%0.27527%0.273SS..Hα-helixtrans-67.1-50172.1164.2-109.5000111.6L52 I53 E54 D58 G59 L61 H96 I97 D98L52-Y56 PolarHBondContact O-N 3.35Å; I53-Y56 WeakPolarHBondContact O-CB 3.44Å; I53-Y56 PolarHBondContact O-N 2.99Å; E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 PolarHBondContact O-N 3.3Å; Y56-D58 PolarHBondContact O-N 2.48Å; Y56-G59 PolarHBondContact O-N 3.18Å; Y56-L61 WeakPolarHBondContact CA-O 3.46Å; Y56-L61 WeakPolarHBondContact CD2-O 3.44Å; Y56-H96 VanDerWaalsContact CD1-O 3.26Å; Y56-H96 WeakPolarHBondContact CD1-O 3.38Å; Y56-H96 WeakPolarHBondContact CE1-O 3.21Å; Y56-I97 HydrophobicContact CD1-CB 4.31Å; Y56-I97 HydrophobicContact CD1-CG2 4.07Å; Y56-I97 HydrophobicContact CG-CB 4.4Å; Y56-I97 HydrophobicContact CG-CG2 4.16Å; Y56-D98 HydrophobicContact CD2-CB 4.5Å; Y56-D98 HydrophobicContact CE2-CB 3.56Å; Y56-D98 VanDerWaalsContact CE2-CG 3.45Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.38Å
57H98.5Very high98.7Very high127 Ų12755 Ų5559%0.58827%0.27SS*.Hα-helixtrans-62.8-31.3178.5-70.1-39.4000113.2I53 E54 G59I53-H57 WeakPolarHBondContact CG2-NE2 3.22Å; I53-H57 PolarHBondContact O-CD2 2.88Å; I53-H57 PolarHBondContact O-N 3.44Å; E54-H57 PolarHBondContact O-N 2.93Å; H57-G59 PolarHBondContact O-N 2.94Å
58D98.3Very high98.7Very high99 Ų9954.2 Ų54.253%0.52926%0.261SS..THydrogen-bonded Turntrans-73.7-4.7172.6-79.30.7000113.9E54 Y56 K60E54-D58 WeakPolarHBondContact O-CB 3.47Å; E54-D58 PolarHBondContact O-N 3.04Å; Y56-D58 PolarHBondContact O-N 2.48Å; D58-K60 VanDerWaalsContact C-N 3.28Å; D58-K60 HydrophobicContact CB-CD 3.93Å; D58-K60 HydrophobicContact CB-CG 4.05Å; D58-K60 PolarHBondContact O-N 2.91Å; D58-K60 IonicContact OD2-NZ 2.67Å; D58-K60 PolarHBondContact OD2-NZ 3.39Å
59G98.1Very high98.7Very high67 Ų6754.2 Ų54.269%0.69126%0.261SS*.THydrogen-bonded Turntrans72.116.1-177.100000114.6F55 Y56 H57F55-G59 PolarHBondContact O-N 3.32Å; Y56-G59 PolarHBondContact O-N 3.18Å; H57-G59 PolarHBondContact O-N 2.94Å
60K98.2Very high98.7Very high115 Ų11554.1 Ų54.150%0.526%0.261SS..SBendtrans-88.9-18.2-179.2-63.9169-176152.90113.1M21 F55 D58M21-K60 HydrophobicContact SD-CB 3.99Å; F55-K60 HydrophobicContact CB-CB 4.42Å; F55-K60 WeakPolarHBondContact O-CA 3.31Å; F55-K60 WeakPolarHBondContact O-CB 3.31Å; F55-K60 PolarHBondContact O-N 3.49Å; D58-K60 VanDerWaalsContact C-N 3.28Å; D58-K60 HydrophobicContact CB-CD 3.93Å; D58-K60 HydrophobicContact CB-CG 4.05Å; D58-K60 PolarHBondContact O-N 2.91Å; D58-K60 IonicContact OD2-NZ 2.67Å; D58-K60 PolarHBondContact OD2-NZ 3.39Å
61L98.5Very high98.7Very high9 Ų947.6 Ų47.65%0.04723%0.233CC..  trans-142.1143.1-176-174.257.3000110.5M21 I24 T25 L52 F55 Y56 F63M21-L61 HydrophobicContact CB-CD1 4.49Å; M21-L61 HydrophobicContact CB-CD2 4.14Å; M21-L61 HydrophobicContact CG-CB 4.24Å; M21-L61 HydrophobicContact CG-CD1 4.18Å; M21-L61 HydrophobicContact CG-CD2 4.31Å; M21-L61 HydrophobicContact CG-CG 4.49Å; I24-L61 HydrophobicContact CB-CD1 3.91Å; I24-L61 HydrophobicContact CD1-CD1 4.04Å; I24-L61 HydrophobicContact CG2-CD1 3.74Å; T25-L61 HydrophobicContact CG2-CD1 4.42Å; L52-L61 HydrophobicContact CD2-CD2 3.67Å; F55-L61 HydrophobicContact CB-CB 4.09Å; F55-L61 PolarHBondContact O-N 3.14Å; Y56-L61 WeakPolarHBondContact CA-O 3.46Å; Y56-L61 WeakPolarHBondContact CD2-O 3.44Å; L61-F63 HydrophobicContact CD2-CE1 4.27Å; L61-F63 HydrophobicContact CD2-CE2 3.59Å; L61-F63 HydrophobicContact CD2-CZ 3.38Å; L61-F63 HydrophobicContact CG-CD2 4.4Å; L61-F63 HydrophobicContact CG-CE2 3.78Å; L61-F63 HydrophobicContact CG-CZ 3.96Å
62S98.7Very high98.6Very high53 Ų5344.3 Ų44.337%0.37122%0.221SC..  trans-132.8141.6171.11670000109.1R64 D98S62-R64 WeakPolarHBondContact OG-CB 3.3Å; S62-R64 PolarHBondContact OG-N 2.85Å; S62-D98 WeakPolarHBondContact CB-OD2 3.35Å; S62-D98 PolarHBondContact OG-OD2 3.21Å
63F98.8Very high98.6Very high0 Ų044.3 Ų44.30%022%0.221CC..  trans-105.83.5178.2-65-91.1000112.7I24 L52 L61 Y65 V66 F93 I97 D98 I99I24-F63 HydrophobicContact CD1-CE1 4.07Å; L52-F63 HydrophobicContact CB-CZ 4.26Å; L52-F63 HydrophobicContact CD2-CZ 4.35Å; L61-F63 HydrophobicContact CD2-CE1 4.27Å; L61-F63 HydrophobicContact CD2-CE2 3.59Å; L61-F63 HydrophobicContact CD2-CZ 3.38Å; L61-F63 HydrophobicContact CG-CD2 4.4Å; L61-F63 HydrophobicContact CG-CE2 3.78Å; L61-F63 HydrophobicContact CG-CZ 3.96Å; F63-Y65 PolarHBondContact O-N 3.2Å; F63-Y65 VanDerWaalsContact O-N 3.1Å; F63-V66 HydrophobicContact CB-CB 4.35Å; F63-V66 HydrophobicContact CB-CG2 4.41Å; F63-V66 HydrophobicContact CD1-CB 4.2Å; F63-V66 HydrophobicContact CD1-CG1 4.27Å; F63-V66 HydrophobicContact CD1-CG2 4.08Å; F63-V66 WeakPolarHBondContact O-CB 3.25Å; F63-V66 PolarHBondContact O-N 3.06Å; F63-F93 HydrophobicContact CD1-CZ 4.48Å; F63-F93 HydrophobicContact CE1-CE1 4.42Å; F63-F93 AromaticContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE2-CZ 4.34Å; F63-F93 HydrophobicContact CZ-CE2 4.21Å; F63-F93 AromaticContact CZ-CZ 3.64Å; F63-F93 HydrophobicContact CZ-CZ 3.64Å; F63-I97 HydrophobicContact CB-CD1 3.92Å; F63-I97 HydrophobicContact CD1-CD1 3.93Å; F63-I97 HydrophobicContact CD2-CB 3.77Å; F63-I97 HydrophobicContact CD2-CD1 3.69Å; F63-I97 HydrophobicContact CD2-CG1 4.29Å; F63-I97 HydrophobicContact CD2-CG2 3.93Å; F63-I97 HydrophobicContact CE1-CD1 4.35Å; F63-I97 HydrophobicContact CE2-CB 4.25Å; F63-I97 HydrophobicContact CE2-CD1 4.12Å; F63-I97 HydrophobicContact CE2-CG2 3.88Å; F63-I97 HydrophobicContact CG-CB 4.41Å; F63-I97 HydrophobicContact CG-CD1 3.57Å; F63-I97 HydrophobicContact CG-CG1 4.47Å; F63-I97 HydrophobicContact CZ-CD1 4.43Å; F63-D98 PolarHBondContact N-OD1 3.18Å; F63-I99 HydrophobicContact CB-CB 3.97Å; F63-I99 HydrophobicContact CB-CG1 4.44Å
64R98.6Very high98.5Very high152 Ų15243.6 Ų43.657%0.57422%0.217SC*.THydrogen-bonded Turntrans-51.4-37.7179.5-176.4174.5-177.7170.21.8113.8S62S62-R64 WeakPolarHBondContact OG-CB 3.3Å; S62-R64 PolarHBondContact OG-N 2.85Å
65Y98.7Very high98.3Very high58 Ų5841.4 Ų41.423%0.22721%0.207CC..THydrogen-bonded Turntrans-113.432.3179-56.1-58.2000112.7P29 S30 E31 Y34 F35 F63P29-Y65 WeakPolarHBondContact CB-O 3.45Å; S30-Y65 VanDerWaalsContact C-CG 3.49Å; E31-Y65 HydrophobicContact CB-CD1 4.37Å; E31-Y65 HydrophobicContact CB-CE1 3.74Å; E31-Y65 HydrophobicContact CG-CE1 4.46Å; Y34-Y65 WeakPolarHBondContact CA-O 3.42Å; Y34-Y65 VanDerWaalsContact CD1-O 3.29Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.4Å; Y34-Y65 HydrophobicContact CE1-CD1 4.06Å; Y34-Y65 AromaticContact CZ-CD1 3.98Å; F35-Y65 PolarHBondContact N-O 3.18Å; F63-Y65 PolarHBondContact O-N 3.2Å; F63-Y65 VanDerWaalsContact O-N 3.1Å
66V98.9Very high98.1Very high0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-107.9133.2172.41790000109.1I24 F35 L37 F63 T68 N103I24-V66 HydrophobicContact CD1-CG2 4.22Å; I24-V66 HydrophobicContact CG1-CG2 4.5Å; I24-V66 HydrophobicContact CG2-CG2 4.1Å; F35-V66 HydrophobicContact CB-CG2 4.39Å; F35-V66 CarbonylContact O-C 3.59Å; F35-V66 VanDerWaalsContact O-CA 3.3Å; F35-V66 WeakPolarHBondContact O-CA 3.21Å; L37-V66 HydrophobicContact CB-CG1 4.08Å; F63-V66 HydrophobicContact CB-CB 4.35Å; F63-V66 HydrophobicContact CB-CG2 4.41Å; F63-V66 HydrophobicContact CD1-CB 4.2Å; F63-V66 HydrophobicContact CD1-CG1 4.27Å; F63-V66 HydrophobicContact CD1-CG2 4.08Å; F63-V66 WeakPolarHBondContact O-CB 3.25Å; F63-V66 PolarHBondContact O-N 3.06Å; V66-T68 HydrophobicContact CG1-CG2 4.05Å; V66-N103 VanDerWaalsContact O-CB 3.3Å; V66-N103 WeakPolarHBondContact O-CB 3.48Å
67K98.8Very high97.9Very high49 Ų4940.6 Ų40.621%0.21322%0.222CC..EExtended strand (participates in β ladder)trans-102133.3164.8-69.9-174.4175.1-166.50109.4Y34 F35 V36 L37 F69 N103 A128Y34-K67 HydrophobicContact CD1-CD 4.5Å; Y34-K67 HydrophobicContact CD1-CG 3.8Å; Y34-K67 HydrophobicContact CG-CD 4.38Å; Y34-K67 HydrophobicContact CG-CG 4.1Å; F35-K67 PolarHBondContact O-N 3.17Å; V36-K67 CarbonylContact C-O 3.57Å; V36-K67 WeakPolarHBondContact CA-O 3.42Å; V36-K67 HydrophobicContact CG2-CB 4.47Å; L37-K67 PolarHBondContact N-O 3.42Å; K67-F69 HydrophobicContact CB-CE2 4.45Å; K67-N103 CarbonylContact C-O 3.52Å; K67-N103 WeakPolarHBondContact CA-O 3.46Å; K67-N103 HydrophobicContact CG-CB 3.99Å; K67-A128 HydrophobicContact CD-CB 4.25Å
68T98.9Very high97.7Very high0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-113.5143.217961.10000111.7L37 L39 V66 F94 I99 N103 H105L37-T68 HydrophobicContact CB-CG2 4.43Å; L37-T68 CarbonylContact O-C 3.56Å; L37-T68 WeakPolarHBondContact O-CA 3.47Å; L39-T68 HydrophobicContact CD1-CG2 3.79Å; V66-T68 HydrophobicContact CG1-CG2 4.05Å; T68-F94 HydrophobicContact CG2-CE1 4.09Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.3Å; T68-I99 HydrophobicContact CG2-CD1 3.63Å; T68-N103 PolarHBondContact N-O 2.88Å; T68-H105 WeakPolarHBondContact O-CA 3.49Å; T68-H105 VanDerWaalsContact O-CB 3.29Å; T68-H105 WeakPolarHBondContact O-CB 2.99Å; T68-H105 PolarHBondContact O-N 3Å; T68-H105 PolarHBondContact O-ND1 3.5Å
69F98.9Very high97.5Very high1 Ų135.3 Ų35.30%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-127.3120.5172.3-71.4-94.2000109.1V36 L37 G38 L39 K67 H105 F121 E124 I125 A128 I131V36-F69 HydrophobicContact CG1-CD2 3.62Å; V36-F69 HydrophobicContact CG1-CE2 3.64Å; L37-F69 PolarHBondContact O-N 2.9Å; G38-F69 CarbonylContact C-O 3.56Å; G38-F69 VanDerWaalsContact CA-O 3.26Å; G38-F69 WeakPolarHBondContact CA-O 3.44Å; L39-F69 PolarHBondContact N-O 3.33Å; K67-F69 HydrophobicContact CB-CE2 4.45Å; F69-H105 WeakPolarHBondContact CA-O 3.25Å; F69-H105 HydrophobicContact CD1-CB 3.57Å; F69-H105 HydrophobicContact CE1-CB 3.64Å; F69-H105 AromaticContact CE1-CD2 3.86Å; F69-H105 AromaticContact CE1-CG 3.6Å; F69-H105 AromaticContact CE2-ND1 3.97Å; F69-H105 HydrophobicContact CG-CB 4.15Å; F69-H105 HydrophobicContact CZ-CB 4.27Å; F69-H105 AromaticContact CZ-CD2 3.93Å; F69-H105 AromaticContact CZ-CG 3.76Å; F69-H105 AromaticContact CZ-ND1 3.82Å; F69-F121 HydrophobicContact CB-CE1 4.35Å; F69-F121 HydrophobicContact CB-CZ 4.23Å; F69-F121 HydrophobicContact CD1-CD1 4.47Å; F69-F121 AromaticContact CD1-CE1 3.86Å; F69-F121 HydrophobicContact CD1-CE1 3.86Å; F69-F121 HydrophobicContact CD1-CE2 4.22Å; F69-F121 AromaticContact CD1-CZ 3.72Å; F69-F121 HydrophobicContact CD1-CZ 3.72Å; F69-F121 HydrophobicContact CG-CZ 4.47Å; F69-E124 HydrophobicContact CE1-CB 3.94Å; F69-E124 HydrophobicContact CZ-CB 4.25Å; F69-I125 HydrophobicContact CD1-CD1 4.18Å; F69-I125 HydrophobicContact CD1-CG1 3.42Å; F69-I125 VanDerWaalsContact CD1-CG1 3.42Å; F69-I125 HydrophobicContact CD2-CG1 4.41Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.54Å; F69-I125 HydrophobicContact CE2-CG1 4.5Å; F69-I125 HydrophobicContact CG-CG1 3.9Å; F69-I125 HydrophobicContact CZ-CG1 4.1Å; F69-A128 HydrophobicContact CE2-CB 4.04Å; F69-A128 HydrophobicContact CZ-CB 4.18Å; F69-I131 HydrophobicContact CB-CD1 4.34Å
70N98.8Very high97.3Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-83.4156.4175.1-91.375.9000112.2L39 M89 H105 I106L39-N70 WeakPolarHBondContact O-CA 3.45Å; L39-N70 PolarHBondContact O-ND2 2.73Å; N70-M89 WeakPolarHBondContact ND2-CG 3.33Å; N70-M89 PolarHBondContact ND2-SD 3.5Å; N70-H105 PolarHBondContact N-O 3.41Å; N70-I106 HydrophobicContact CB-CB 4.47Å; N70-I106 HydrophobicContact CB-CG1 4.11Å; N70-I106 HydrophobicContact CB-CG2 4.3Å
71M98.5Very high97.1Very high4 Ų435 Ų352%0.0219%0.186CC..SBendtrans-71.5-35.9-176.6-73.6-173161.800114.2L39 P40 F134 V135 G136 I144 A145 T187 V188L39-M71 PolarHBondContact O-N 3.1Å; P40-M71 HydrophobicContact CB-CE 4.48Å; P40-M71 HydrophobicContact CB-SD 3.89Å; M71-F134 HydrophobicContact CE-CD1 3.56Å; M71-F134 HydrophobicContact CE-CE1 3.28Å; M71-F134 HydrophobicContact CE-CZ 4.14Å; M71-F134 HydrophobicContact CG-CE1 3.43Å; M71-F134 VanDerWaalsContact CG-CE1 3.43Å; M71-F134 HydrophobicContact CG-CZ 3.73Å; M71-F134 HydrophobicContact SD-CE1 4.22Å; M71-V135 WeakPolarHBondContact CE-O 3.37Å; M71-G136 VanDerWaalsContact CE-CA 3.46Å; M71-I144 HydrophobicContact CE-CG2 3.97Å; M71-I144 HydrophobicContact SD-CG2 4.37Å; M71-A145 HydrophobicContact CB-CB 3.73Å; M71-A145 HydrophobicContact CG-CB 4.22Å; M71-A145 HydrophobicContact SD-CB 3.94Å; M71-T187 CarbonylContact O-C 3.57Å; M71-T187 WeakPolarHBondContact O-CA 3.26Å; M71-V188 HydrophobicContact CB-CG2 4.15Å; M71-V188 HydrophobicContact CG-CG2 4.24Å; M71-V188 WeakPolarHBondContact O-CG2 3.45Å; M71-V188 PolarHBondContact O-N 2.94Å
72D97.9Very high96.9Very high6 Ų638.4 Ų38.43%0.03221%0.208CC..EExtended strand (participates in β ladder)trans-161.7164.8-165.43340.8000112.6Y85 A145 F146 L186D72-Y85 HydrophobicContact CB-CD2 4.36Å; D72-Y85 HydrophobicContact CB-CE2 4.39Å; D72-Y85 WeakPolarHBondContact O-CD2 3.45Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.39Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.26Å; D72-A145 WeakPolarHBondContact OD2-CA 3.41Å; D72-A145 VanDerWaalsContact OD2-CB 3.24Å; D72-A145 WeakPolarHBondContact OD2-CB 3.43Å; D72-F146 HydrophobicContact CB-CD2 3.49Å; D72-F146 VanDerWaalsContact CB-CD2 3.49Å; D72-F146 HydrophobicContact CB-CE2 3.77Å; D72-F146 PolarHBondContact OD2-N 2.8Å; D72-L186 CarbonylContact C-O 3.54Å; D72-L186 WeakPolarHBondContact CA-O 3.39Å; D72-L186 VanDerWaalsContact CB-O 3.23Å; D72-L186 WeakPolarHBondContact CB-O 3.42Å
73E97.7Very high96.6Very high0 Ų039 Ų390%021%0.205CC..EExtended strand (participates in β ladder)trans-152.6149.4167.5-177.357.9-82.700109.8Y85 H86 I106 L107 C185 L186E73-Y85 PolarHBondContact OE1-N 2.96Å; E73-Y85 PolarHBondContact OE2-N 2.89Å; E73-Y85 VanDerWaalsContact OE2-N 3.12Å; E73-H86 WeakPolarHBondContact OE2-CB 3.37Å; E73-H86 PolarHBondContact OE2-N 2.81Å; E73-I106 HydrophobicContact CB-CG2 4.4Å; E73-L107 HydrophobicContact CB-CB 4.05Å; E73-L107 VanDerWaalsContact CB-O 3.27Å; E73-L107 WeakPolarHBondContact CB-O 3.26Å; E73-L107 WeakPolarHBondContact CG-O 3.35Å; E73-C185 CarbonylContact O-C 3.55Å; E73-C185 WeakPolarHBondContact O-CA 3.29Å; E73-C185 WeakPolarHBondContact O-CB 3.5Å; E73-L186 PolarHBondContact N-O 3.34Å; E73-L186 PolarHBondContact O-N 2.98Å
74Y96.3Very high96.5Very high6 Ų639 Ų392%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-71.8139.7172.8-71.3-67.9000112.1L77 Y85 G109 F146 L162 N170 P182Y74-L77 HydrophobicContact CD2-CD1 3.7Å; Y74-L77 HydrophobicContact CG-CD1 3.93Å; Y74-Y85 HydrophobicContact CD2-CE1 4.43Å; Y74-Y85 HydrophobicContact CE2-CD1 4.29Å; Y74-Y85 AromaticContact CE2-CE1 3.74Å; Y74-Y85 HydrophobicContact CE2-CE1 3.74Å; Y74-Y85 HydrophobicContact CE2-CE2 4.48Å; Y74-Y85 AromaticContact CE2-CZ 3.85Å; Y74-G109 VanDerWaalsContact O-CA 3.31Å; Y74-G109 WeakPolarHBondContact O-CA 3.49Å; Y74-F146 HydrophobicContact CE1-CE2 4.42Å; Y74-F146 AromaticContact CE1-CZ 3.82Å; Y74-F146 HydrophobicContact CE1-CZ 3.82Å; Y74-F146 AromaticContact CZ-CZ 3.95Å; Y74-L162 HydrophobicContact CD1-CD1 4.32Å; Y74-L162 HydrophobicContact CE1-CD1 3.84Å; Y74-N170 PolarHBondContact OH-ND2 2.85Å; Y74-P182 HydrophobicContact CD1-CB 3.82Å; Y74-P182 HydrophobicContact CD1-CG 3.89Å; Y74-P182 HydrophobicContact CG-CB 4.2Å; Y74-P182 HydrophobicContact CG-CG 3.9Å
75L95.5Very high96.4Very high32 Ų3233.5 Ų33.517%0.16819%0.185CC..THydrogen-bonded Turntrans-81.8126.2175-162.8152.4000109.7G109 P114 V159 R184 L186L75-G109 CarbonylContact C-O 3.58Å; L75-G109 WeakPolarHBondContact CA-O 3.41Å; L75-P114 HydrophobicContact CD1-CB 3.97Å; L75-P114 HydrophobicContact CD1-CG 3.78Å; L75-V159 HydrophobicContact CD1-CG1 4.44Å; L75-R184 HydrophobicContact CB-CB 4.17Å; L75-R184 WeakPolarHBondContact CB-O 3.42Å; L75-R184 PolarHBondContact N-O 2.86Å; L75-L186 HydrophobicContact CD1-CD2 4.18Å
76G94.5Very high96.4Very high57 Ų5732.8 Ų32.859%0.58818%0.184SC*.THydrogen-bonded Turntrans91.7-1.7177.800000115.9G109G76-G109 PolarHBondContact N-O 2.94Å
77L93.5Very high96.3Very high18 Ų1837 Ų379%0.09420%0.2CC..  trans-90.2130.1170.1-67-174.6000110.8Y74 H81 I110 F174 P182Y74-L77 HydrophobicContact CD2-CD1 3.7Å; Y74-L77 HydrophobicContact CG-CD1 3.93Å; L77-H81 HydrophobicContact CB-CB 4.41Å; L77-I110 VanDerWaalsContact O-CG2 3.26Å; L77-I110 WeakPolarHBondContact O-CG2 3.46Å; L77-F174 HydrophobicContact CD1-CE1 3.89Å; L77-F174 HydrophobicContact CD1-CZ 3.91Å; L77-F174 HydrophobicContact CD2-CE1 4.26Å; L77-P182 HydrophobicContact CD1-CG 3.71Å; L77-P182 HydrophobicContact CD2-CG 3.91Å; L77-P182 HydrophobicContact CG-CG 3.54Å
78S94.7Very high96.2Very high48 Ų4836.3 Ų36.334%0.33620%0.196SC..  trans-64.4151.3172.863.60000111.4D80 H81 S84S78-D80 WeakPolarHBondContact CB-OD1 3.48Å; S78-D80 PolarHBondContact O-N 3.23Å; S78-D80 PolarHBondContact OG-OD1 2.93Å; S78-H81 WeakPolarHBondContact O-CB 3.45Å; S78-H81 PolarHBondContact O-N 3.3Å; S78-S84 WeakPolarHBondContact O-CB 3.21Å; S78-S84 PolarHBondContact O-OG 2.65Å
79H94.4Very high96.2Very high66 Ų6636.3 Ų36.331%0.30620%0.196SC..THydrogen-bonded Turntrans-62.8-22.8-177.5-64.3168.2000114.2S84 H86 Y87 N108H79-S84 PolarHBondContact O-OG 3.37Å; H79-H86 HydrophobicContact CB-CB 4.2Å; H79-H86 AromaticContact CG-CG 3.99Å; H79-H86 PolarHBondContact O-ND1 3.33Å; H79-Y87 PolarHBondContact O-N 2.95Å; H79-N108 PolarHBondContact NE2-OD1 3.13Å
80D94.5Very high96.2Very high121 Ų12139.9 Ų39.965%0.64721%0.21SC*.THydrogen-bonded Turntrans-90.2-8.3175.964.1-23000112.9S78S78-D80 WeakPolarHBondContact CB-OD1 3.48Å; S78-D80 PolarHBondContact O-N 3.23Å; S78-D80 PolarHBondContact OG-OD1 2.93Å
81H94.5Very high96.1Very high55 Ų5543.8 Ų43.826%0.25523%0.228SC..SBendtrans-62.3128.6176-169.4-88.3000109.5L77 S78 Q83 S84 Y87 F174L77-H81 HydrophobicContact CB-CB 4.41Å; S78-H81 WeakPolarHBondContact O-CB 3.45Å; S78-H81 PolarHBondContact O-N 3.3Å; H81-Q83 PolarHBondContact ND1-N 2.96Å; H81-Q83 VanDerWaalsContact ND1-N 3.19Å; H81-Q83 PolarHBondContact O-N 3.34Å; H81-S84 WeakPolarHBondContact O-CB 3.33Å; H81-S84 PolarHBondContact O-N 3.06Å; H81-S84 PolarHBondContact O-OG 2.82Å; H81-Y87 WeakPolarHBondContact O-CB 3.37Å; H81-F174 AromaticContact CE1-CE1 3.85Å
82P93.8Very high96.1Very high80 Ų8046 Ų4652%0.51924%0.241SC..THydrogen-bonded Turntrans-58.4-22-174.8-28.235.4000115.4Y87P82-Y87 HydrophobicContact CB-CD1 4.46Å; P82-Y87 HydrophobicContact CB-CE1 4.36Å; P82-Y87 WeakPolarHBondContact O-CD1 3.3Å
83Q92.5Very high96.1Very high65 Ų6545.8 Ų45.830%0.30424%0.239SC..THydrogen-bonded Turntrans-99-0.2177.5-54-57.4-19.800114.4H81 F173 F174H81-Q83 PolarHBondContact ND1-N 2.96Å; H81-Q83 VanDerWaalsContact ND1-N 3.19Å; H81-Q83 PolarHBondContact O-N 3.34Å; Q83-F173 HydrophobicContact CG-CB 4.28Å; Q83-F173 WeakPolarHBondContact CG-O 3.26Å; Q83-F173 PolarHBondContact NE2-O 3.34Å; Q83-F174 HydrophobicContact CB-CE1 3.82Å; Q83-F174 HydrophobicContact CB-CE2 4.31Å; Q83-F174 HydrophobicContact CB-CZ 3.65Å; Q83-F174 HydrophobicContact CG-CD1 4.45Å; Q83-F174 HydrophobicContact CG-CE1 4.15Å; Q83-F174 HydrophobicContact CG-CZ 4.19Å
84S96.2Very high96.2Very high0 Ų046.1 Ų46.10%024%0.241CC..SBendtrans-67.9148.6169.867.40000110S78 H79 H81 H86 Y87 Y88S78-S84 WeakPolarHBondContact O-CB 3.21Å; S78-S84 PolarHBondContact O-OG 2.65Å; H79-S84 PolarHBondContact O-OG 3.37Å; H81-S84 WeakPolarHBondContact O-CB 3.33Å; H81-S84 PolarHBondContact O-N 3.06Å; H81-S84 PolarHBondContact O-OG 2.82Å; S84-H86 VanDerWaalsContact C-N 3.26Å; S84-Y87 PolarHBondContact O-N 3.45Å; S84-Y87 WeakPolarHBondContact OG-CB 3.45Å; S84-Y87 PolarHBondContact OG-N 2.89Å; S84-Y88 PolarHBondContact O-N 3.46Å
85Y96.8Very high96.2Very high37 Ų3751.2 Ų51.215%0.14526%0.263CS..Hα-helixtrans-73.2-25176.6-71.3-8.3000112T41 D72 E73 Y74 Y88 M89 F146T41-Y85 HydrophobicContact CG2-CD1 4.18Å; T41-Y85 HydrophobicContact CG2-CD2 4.04Å; T41-Y85 HydrophobicContact CG2-CG 3.78Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.2Å; D72-Y85 HydrophobicContact CB-CD2 4.36Å; D72-Y85 HydrophobicContact CB-CE2 4.39Å; D72-Y85 WeakPolarHBondContact O-CD2 3.45Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.39Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.26Å; E73-Y85 PolarHBondContact OE1-N 2.96Å; E73-Y85 PolarHBondContact OE2-N 2.89Å; E73-Y85 VanDerWaalsContact OE2-N 3.12Å; Y74-Y85 HydrophobicContact CD2-CE1 4.43Å; Y74-Y85 HydrophobicContact CE2-CD1 4.29Å; Y74-Y85 AromaticContact CE2-CE1 3.74Å; Y74-Y85 HydrophobicContact CE2-CE1 3.74Å; Y74-Y85 HydrophobicContact CE2-CE2 4.48Å; Y74-Y85 AromaticContact CE2-CZ 3.85Å; Y85-Y88 PolarHBondContact O-N 2.94Å; Y85-M89 WeakPolarHBondContact O-CB 3.4Å; Y85-M89 WeakPolarHBondContact O-CG 3.31Å; Y85-M89 PolarHBondContact O-N 3.08Å; Y85-F146 AromaticContact CE2-CE2 3.64Å; Y85-F146 HydrophobicContact CE2-CE2 3.64Å; Y85-F146 AromaticContact CE2-CZ 3.8Å; Y85-F146 HydrophobicContact CE2-CZ 3.8Å; Y85-F146 AromaticContact CZ-CZ 3.97Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.49Å
86H97.6Very high96.4Very high44 Ų4453 Ų5320%0.20427%0.27CS..Hα-helixtrans-56.1-56.9164.5-169.7-78.1000111.4E73 H79 S84 Y88 M89 Y90 I106E73-H86 WeakPolarHBondContact OE2-CB 3.37Å; E73-H86 PolarHBondContact OE2-N 2.81Å; H79-H86 HydrophobicContact CB-CB 4.2Å; H79-H86 AromaticContact CG-CG 3.99Å; H79-H86 PolarHBondContact O-ND1 3.33Å; S84-H86 VanDerWaalsContact C-N 3.26Å; H86-Y88 VanDerWaalsContact C-N 3.34Å; H86-Y88 PolarHBondContact O-N 3.05Å; H86-M89 PolarHBondContact O-N 3.46Å; H86-Y90 AromaticContact CE1-CD2 3.47Å; H86-Y90 VanDerWaalsContact CE1-CD2 3.47Å; H86-Y90 WeakPolarHBondContact CE1-CD2 3.38Å; H86-Y90 AromaticContact CE1-CE2 3.33Å; H86-Y90 WeakPolarHBondContact CE1-CE2 3.12Å; H86-Y90 AromaticContact ND1-CD2 3.77Å; H86-Y90 AromaticContact NE2-CD2 3.88Å; H86-Y90 AromaticContact NE2-CE2 3.35Å; H86-Y90 WeakPolarHBondContact NE2-CE2 3.33Å; H86-Y90 WeakPolarHBondContact O-CD2 3.19Å; H86-Y90 PolarHBondContact O-N 3.18Å; H86-Y90 VanDerWaalsContact O-N 3.11Å; H86-I106 HydrophobicContact CB-CD1 4.34Å
87Y97.3Very high96.6Very high87 Ų8751 Ų5134%0.34125%0.246SC..Hα-helixtrans-58.8-45.7176.9-176.5-85.6000111.6H79 H81 P82 S84 M89 Y90 H91H79-Y87 PolarHBondContact O-N 2.95Å; H81-Y87 WeakPolarHBondContact O-CB 3.37Å; P82-Y87 HydrophobicContact CB-CD1 4.46Å; P82-Y87 HydrophobicContact CB-CE1 4.36Å; P82-Y87 WeakPolarHBondContact O-CD1 3.3Å; S84-Y87 PolarHBondContact O-N 3.45Å; S84-Y87 WeakPolarHBondContact OG-CB 3.45Å; S84-Y87 PolarHBondContact OG-N 2.89Å; Y87-M89 VanDerWaalsContact C-N 3.34Å; Y87-M89 PolarHBondContact O-N 3.08Å; Y87-Y90 PolarHBondContact O-N 3.48Å; Y87-H91 HydrophobicContact CD1-CB 4.27Å; Y87-H91 HydrophobicContact CE1-CB 3.98Å; Y87-H91 AromaticContact CE1-ND1 3.91Å; Y87-H91 AromaticContact CZ-ND1 3.76Å; Y87-H91 VanDerWaalsContact O-CB 3.22Å; Y87-H91 WeakPolarHBondContact O-CB 3.31Å; Y87-H91 PolarHBondContact O-N 2.96Å; Y87-H91 PolarHBondContact OH-ND1 3.4Å
88Y97.5Very high96.8Very high36 Ų3652.4 Ų52.414%0.14125%0.254CS..Hα-helixtrans-52.7-50.9177.9173-78.9000111.5T41 G42 L46 Y49 S84 Y85 H86 H91 N92T41-Y88 HydrophobicContact CG2-CD1 3.67Å; T41-Y88 HydrophobicContact CG2-CE1 4.01Å; T41-Y88 HydrophobicContact CG2-CG 4.35Å; G42-Y88 PolarHBondContact O-OH 2.89Å; L46-Y88 HydrophobicContact CD2-CE2 4.2Å; L46-Y88 VanDerWaalsContact CD2-OH 3.24Å; L46-Y88 WeakPolarHBondContact CD2-OH 3.29Å; Y49-Y88 HydrophobicContact CE2-CE1 4.19Å; S84-Y88 PolarHBondContact O-N 3.46Å; Y85-Y88 PolarHBondContact O-N 2.94Å; H86-Y88 VanDerWaalsContact C-N 3.34Å; H86-Y88 PolarHBondContact O-N 3.05Å; Y88-H91 PolarHBondContact O-N 3.45Å; Y88-N92 WeakPolarHBondContact O-CB 3.34Å; Y88-N92 PolarHBondContact O-N 3.41Å; Y88-N92 PolarHBondContact O-ND2 2.98Å
89M98.5Very high97Very high0 Ų050.9 Ų50.90%024%0.242CC..Hα-helixtrans-70.3-41.1-174.1-73.8-58.7-64.200112.2L39 T41 Y49 N70 Y85 H86 Y87 H91 F93 F94 I106L39-M89 HydrophobicContact CB-CE 4.03Å; L39-M89 HydrophobicContact CD1-CE 3.69Å; L39-M89 HydrophobicContact CG-CE 4.48Å; T41-M89 HydrophobicContact CG2-CG 4.19Å; T41-M89 HydrophobicContact CG2-SD 4.07Å; Y49-M89 HydrophobicContact CE1-CE 4.36Å; Y49-M89 HydrophobicContact CE2-SD 4.37Å; N70-M89 WeakPolarHBondContact ND2-CG 3.33Å; N70-M89 PolarHBondContact ND2-SD 3.5Å; Y85-M89 WeakPolarHBondContact O-CB 3.4Å; Y85-M89 WeakPolarHBondContact O-CG 3.31Å; Y85-M89 PolarHBondContact O-N 3.08Å; H86-M89 PolarHBondContact O-N 3.46Å; Y87-M89 VanDerWaalsContact C-N 3.34Å; Y87-M89 PolarHBondContact O-N 3.08Å; M89-H91 VanDerWaalsContact C-N 3.35Å; M89-F93 HydrophobicContact CE-CD1 4.16Å; M89-F93 WeakPolarHBondContact O-CA 3.45Å; M89-F93 PolarHBondContact O-N 2.86Å; M89-F94 HydrophobicContact CB-CD2 3.67Å; M89-F94 HydrophobicContact CB-CE2 3.42Å; M89-F94 VanDerWaalsContact CB-CE2 3.42Å; M89-F94 HydrophobicContact CB-CZ 4.27Å; M89-F94 HydrophobicContact CE-CE1 3.93Å; M89-F94 HydrophobicContact CE-CE2 3.79Å; M89-F94 HydrophobicContact CE-CZ 3.41Å; M89-F94 VanDerWaalsContact CE-CZ 3.41Å; M89-F94 HydrophobicContact CG-CE2 4.1Å; M89-F94 PolarHBondContact O-N 3.08Å; M89-I106 HydrophobicContact CB-CD1 4.19Å; M89-I106 HydrophobicContact CG-CD1 4.41Å
90Y98Very high97.2Very high76 Ų7650.3 Ų50.330%0.29824%0.241SC..Hα-helixtrans-63.8-42.2174.7-89.4-92.4000111.8H86 Y87 F94 K95 V104H86-Y90 AromaticContact CE1-CD2 3.47Å; H86-Y90 VanDerWaalsContact CE1-CD2 3.47Å; H86-Y90 WeakPolarHBondContact CE1-CD2 3.38Å; H86-Y90 AromaticContact CE1-CE2 3.33Å; H86-Y90 WeakPolarHBondContact CE1-CE2 3.12Å; H86-Y90 AromaticContact ND1-CD2 3.77Å; H86-Y90 AromaticContact NE2-CD2 3.88Å; H86-Y90 AromaticContact NE2-CE2 3.35Å; H86-Y90 WeakPolarHBondContact NE2-CE2 3.33Å; H86-Y90 WeakPolarHBondContact O-CD2 3.19Å; H86-Y90 PolarHBondContact O-N 3.18Å; H86-Y90 VanDerWaalsContact O-N 3.11Å; Y87-Y90 PolarHBondContact O-N 3.48Å; Y90-F94 HydrophobicContact CD1-CB 4.29Å; Y90-F94 HydrophobicContact CD2-CD2 4.13Å; Y90-F94 HydrophobicContact CE1-CB 4.5Å; Y90-F94 HydrophobicContact CE2-CD2 4.22Å; Y90-F94 HydrophobicContact CG-CB 4.47Å; Y90-K95 WeakPolarHBondContact O-CB 3.34Å; Y90-K95 WeakPolarHBondContact O-CD 3.22Å; Y90-K95 WeakPolarHBondContact O-CG 3.46Å; Y90-K95 PolarHBondContact O-N 3.37Å; Y90-V104 HydrophobicContact CE2-CG1 4.44Å
91H97.6Very high97.4Very high81 Ų8148.6 Ų48.638%0.37524%0.236SC..Hα-helixtrans-70.8-40.7-177.4-165.498.9000112.8Y87 Y88 M89 K95 H96Y87-H91 HydrophobicContact CD1-CB 4.27Å; Y87-H91 HydrophobicContact CE1-CB 3.98Å; Y87-H91 AromaticContact CE1-ND1 3.91Å; Y87-H91 AromaticContact CZ-ND1 3.76Å; Y87-H91 VanDerWaalsContact O-CB 3.22Å; Y87-H91 WeakPolarHBondContact O-CB 3.31Å; Y87-H91 PolarHBondContact O-N 2.96Å; Y87-H91 PolarHBondContact OH-ND1 3.4Å; Y88-H91 PolarHBondContact O-N 3.45Å; M89-H91 VanDerWaalsContact C-N 3.35Å; H91-K95 PolarHBondContact CE1-NZ 3.4Å; H91-K95 PolarHBondContact ND1-NZ 3.4Å; H91-K95 WeakPolarHBondContact O-CE 3.47Å; H91-H96 PolarHBondContact O-NE2 3.03Å
92N98.3Very high97.5Very high52 Ų5252.6 Ų52.628%0.27825%0.253SS..Hα-helixtrans-92.8-19.5-173.8-67.4-67.5000113.9L46 I53 Y88L46-N92 HydrophobicContact CD2-CB 4Å; I53-N92 WeakPolarHBondContact CD1-O 3.49Å; Y88-N92 WeakPolarHBondContact O-CB 3.34Å; Y88-N92 PolarHBondContact O-N 3.41Å; Y88-N92 PolarHBondContact O-ND2 2.98Å
93F98.8Very high97.7Very high0 Ų049 Ų490%023%0.23CC..THydrogen-bonded Turntrans-142.1-65.7-173.2-168.3-138000114.6L39 Y49 L52 I53 F63 M89 K95 H96 I97L39-F93 HydrophobicContact CD1-CD1 4.05Å; L39-F93 HydrophobicContact CD1-CE1 3.84Å; Y49-F93 HydrophobicContact CD1-CB 4.02Å; Y49-F93 AromaticContact CD1-CD1 3.71Å; Y49-F93 HydrophobicContact CD1-CD1 3.71Å; Y49-F93 AromaticContact CD1-CD2 3.75Å; Y49-F93 HydrophobicContact CD1-CD2 3.75Å; Y49-F93 HydrophobicContact CD1-CE1 4.04Å; Y49-F93 HydrophobicContact CD1-CE2 4.09Å; Y49-F93 AromaticContact CD1-CG 3.56Å; Y49-F93 HydrophobicContact CD1-CG 3.56Å; Y49-F93 HydrophobicContact CD1-CZ 4.22Å; Y49-F93 HydrophobicContact CE1-CB 4.46Å; Y49-F93 AromaticContact CE1-CD1 3.73Å; Y49-F93 HydrophobicContact CE1-CD1 3.73Å; Y49-F93 HydrophobicContact CE1-CE1 4.05Å; Y49-F93 HydrophobicContact CE1-CG 4.04Å; Y49-F93 HydrophobicContact CG-CB 4.15Å; Y49-F93 HydrophobicContact CG-CD2 4.25Å; Y49-F93 HydrophobicContact CG-CG 4.12Å; L52-F93 HydrophobicContact CB-CE2 3.78Å; L52-F93 HydrophobicContact CB-CZ 4.19Å; L52-F93 HydrophobicContact CD1-CE2 4.21Å; L52-F93 HydrophobicContact CD1-CZ 3.93Å; I53-F93 HydrophobicContact CD1-CD2 4.2Å; I53-F93 HydrophobicContact CG1-CD2 3.93Å; I53-F93 HydrophobicContact CG1-CE2 4.24Å; F63-F93 HydrophobicContact CD1-CZ 4.48Å; F63-F93 HydrophobicContact CE1-CE1 4.42Å; F63-F93 AromaticContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE2-CZ 4.34Å; F63-F93 HydrophobicContact CZ-CE2 4.21Å; F63-F93 AromaticContact CZ-CZ 3.64Å; F63-F93 HydrophobicContact CZ-CZ 3.64Å; M89-F93 HydrophobicContact CE-CD1 4.16Å; M89-F93 WeakPolarHBondContact O-CA 3.45Å; M89-F93 PolarHBondContact O-N 2.86Å; F93-K95 VanDerWaalsContact C-N 3.33Å; F93-K95 PolarHBondContact O-N 2.89Å; F93-K95 VanDerWaalsContact O-N 3.17Å; F93-H96 PolarHBondContact O-N 2.74Å; F93-I97 HydrophobicContact CD1-CD1 4.31Å; F93-I97 HydrophobicContact CD2-CD1 4.36Å; F93-I97 HydrophobicContact CD2-CG2 4.46Å; F93-I97 HydrophobicContact CE1-CD1 3.89Å; F93-I97 HydrophobicContact CE2-CD1 3.94Å; F93-I97 HydrophobicContact CE2-CG2 4.05Å; F93-I97 HydrophobicContact CZ-CD1 3.7Å
94F98.6Very high98Very high7 Ų747 Ų473%0.03122%0.221CC..G310 helixtrans-63-32.3-163.4-61.4-42.4000114.7L39 T68 M89 Y90 H96 I97 I99 V104 I106L39-F94 HydrophobicContact CD1-CE1 3.94Å; L39-F94 HydrophobicContact CD1-CZ 4.1Å; T68-F94 HydrophobicContact CG2-CE1 4.09Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.3Å; M89-F94 HydrophobicContact CB-CD2 3.67Å; M89-F94 HydrophobicContact CB-CE2 3.42Å; M89-F94 VanDerWaalsContact CB-CE2 3.42Å; M89-F94 HydrophobicContact CB-CZ 4.27Å; M89-F94 HydrophobicContact CE-CE1 3.93Å; M89-F94 HydrophobicContact CE-CE2 3.79Å; M89-F94 HydrophobicContact CE-CZ 3.41Å; M89-F94 VanDerWaalsContact CE-CZ 3.41Å; M89-F94 HydrophobicContact CG-CE2 4.1Å; M89-F94 PolarHBondContact O-N 3.08Å; Y90-F94 HydrophobicContact CD1-CB 4.29Å; Y90-F94 HydrophobicContact CD2-CD2 4.13Å; Y90-F94 HydrophobicContact CE1-CB 4.5Å; Y90-F94 HydrophobicContact CE2-CD2 4.22Å; Y90-F94 HydrophobicContact CG-CB 4.47Å; F94-H96 PolarHBondContact O-N 3.32Å; F94-I97 HydrophobicContact CD1-CD1 4.38Å; F94-I99 HydrophobicContact CB-CG2 4.16Å; F94-I99 HydrophobicContact CD1-CD1 4.29Å; F94-I99 HydrophobicContact CD1-CG2 4.1Å; F94-I99 HydrophobicContact CE1-CD1 4.25Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; F94-V104 HydrophobicContact CD1-CG2 4.2Å; F94-V104 HydrophobicContact CD2-CG1 3.74Å; F94-V104 HydrophobicContact CD2-CG2 4.19Å; F94-V104 HydrophobicContact CE1-CG2 4.3Å; F94-V104 HydrophobicContact CE2-CB 4.46Å; F94-V104 HydrophobicContact CE2-CG1 3.35Å; F94-V104 HydrophobicContact CE2-CG2 4.26Å; F94-V104 HydrophobicContact CG-CG2 4.16Å; F94-V104 HydrophobicContact CZ-CG1 3.87Å; F94-V104 HydrophobicContact CZ-CG2 4.33Å; F94-I106 HydrophobicContact CE2-CD1 4.12Å
95K97.8Very high98.1Very high114 Ų11448.5 Ų48.550%0.49623%0.229SC..G310 helixtrans-72.1-8.9178.479.8-173178.3-173.60114.5Y90 H91 F93Y90-K95 WeakPolarHBondContact O-CB 3.34Å; Y90-K95 WeakPolarHBondContact O-CD 3.22Å; Y90-K95 WeakPolarHBondContact O-CG 3.46Å; Y90-K95 PolarHBondContact O-N 3.37Å; H91-K95 PolarHBondContact CE1-NZ 3.4Å; H91-K95 PolarHBondContact ND1-NZ 3.4Å; H91-K95 WeakPolarHBondContact O-CE 3.47Å; F93-K95 VanDerWaalsContact C-N 3.33Å; F93-K95 PolarHBondContact O-N 2.89Å; F93-K95 VanDerWaalsContact O-N 3.17Å
96H98.7Very high98.2Very high68 Ų6848 Ų4832%0.31523%0.228SC..G310 helixtrans-106.6-0.9-173.4-54.3-73000113.6I53 Y56 H91 F93 F94I53-H96 HydrophobicContact CD1-CB 3.78Å; I53-H96 HydrophobicContact CG1-CB 3.87Å; I53-H96 HydrophobicContact CG2-CB 3.9Å; Y56-H96 VanDerWaalsContact CD1-O 3.26Å; Y56-H96 WeakPolarHBondContact CD1-O 3.38Å; Y56-H96 WeakPolarHBondContact CE1-O 3.21Å; H91-H96 PolarHBondContact O-NE2 3.03Å; F93-H96 PolarHBondContact O-N 2.74Å; F94-H96 PolarHBondContact O-N 3.32Å
97I98.8Very high98.3Very high16 Ų1646 Ų468%0.08222%0.219CC..SBendtrans-128.8168.5-176.258.5169.1000111.2I53 Y56 F63 F93 F94 I99I53-I97 HydrophobicContact CG1-CG2 4.12Å; Y56-I97 HydrophobicContact CD1-CB 4.31Å; Y56-I97 HydrophobicContact CD1-CG2 4.07Å; Y56-I97 HydrophobicContact CG-CB 4.4Å; Y56-I97 HydrophobicContact CG-CG2 4.16Å; F63-I97 HydrophobicContact CB-CD1 3.92Å; F63-I97 HydrophobicContact CD1-CD1 3.93Å; F63-I97 HydrophobicContact CD2-CB 3.77Å; F63-I97 HydrophobicContact CD2-CD1 3.69Å; F63-I97 HydrophobicContact CD2-CG1 4.29Å; F63-I97 HydrophobicContact CD2-CG2 3.93Å; F63-I97 HydrophobicContact CE1-CD1 4.35Å; F63-I97 HydrophobicContact CE2-CB 4.25Å; F63-I97 HydrophobicContact CE2-CD1 4.12Å; F63-I97 HydrophobicContact CE2-CG2 3.88Å; F63-I97 HydrophobicContact CG-CB 4.41Å; F63-I97 HydrophobicContact CG-CD1 3.57Å; F63-I97 HydrophobicContact CG-CG1 4.47Å; F63-I97 HydrophobicContact CZ-CD1 4.43Å; F93-I97 HydrophobicContact CD1-CD1 4.31Å; F93-I97 HydrophobicContact CD2-CD1 4.36Å; F93-I97 HydrophobicContact CD2-CG2 4.46Å; F93-I97 HydrophobicContact CE1-CD1 3.89Å; F93-I97 HydrophobicContact CE2-CD1 3.94Å; F93-I97 HydrophobicContact CE2-CG2 4.05Å; F93-I97 HydrophobicContact CZ-CD1 3.7Å; F94-I97 HydrophobicContact CD1-CD1 4.38Å; I97-I99 HydrophobicContact CD1-CB 3.95Å; I97-I99 HydrophobicContact CD1-CG2 3.96Å; I97-I99 HydrophobicContact CG1-CB 4.16Å; I97-I99 HydrophobicContact CG1-CG2 3.9Å; I97-I99 PolarHBondContact O-N 3.24Å
98D98.7Very high98.3Very high48 Ų4844 Ų4426%0.25721%0.214SC..  trans-84.629.1-179.467-27.7000114.4Y56 S62 F63Y56-D98 HydrophobicContact CD2-CB 4.5Å; Y56-D98 HydrophobicContact CE2-CB 3.56Å; Y56-D98 VanDerWaalsContact CE2-CG 3.45Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.38Å; S62-D98 WeakPolarHBondContact CB-OD2 3.35Å; S62-D98 PolarHBondContact OG-OD2 3.21Å; F63-D98 PolarHBondContact N-OD1 3.18Å
99I98.8Very high98.2Very high16 Ų1642.4 Ų42.48%0.08221%0.208CC..  trans-70.8133.1177.5-164.2163.9000110.5F63 T68 F94 I97 P101 V104F63-I99 HydrophobicContact CB-CB 3.97Å; F63-I99 HydrophobicContact CB-CG1 4.44Å; T68-I99 HydrophobicContact CG2-CD1 3.63Å; F94-I99 HydrophobicContact CB-CG2 4.16Å; F94-I99 HydrophobicContact CD1-CD1 4.29Å; F94-I99 HydrophobicContact CD1-CG2 4.1Å; F94-I99 HydrophobicContact CE1-CD1 4.25Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; I97-I99 HydrophobicContact CD1-CB 3.95Å; I97-I99 HydrophobicContact CD1-CG2 3.96Å; I97-I99 HydrophobicContact CG1-CB 4.16Å; I97-I99 HydrophobicContact CG1-CG2 3.9Å; I97-I99 PolarHBondContact O-N 3.24Å; I99-P101 WeakPolarHBondContact O-CD 3.34Å; I99-V104 HydrophobicContact CD1-CG2 3.76Å; I99-V104 HydrophobicContact CG1-CG2 4.1Å; I99-V104 HydrophobicContact CG2-CG2 4.14Å
100D98.1Very high98.1Very high53 Ų5346.6 Ų46.628%0.28323%0.23SC..  trans-71.2124171.2-175.1-27.6000108.6K102 N103D100-K102 HydrophobicContact CB-CG 4.48Å; D100-K102 PolarHBondContact O-N 2.83Å; D100-K102 VanDerWaalsContact OD1-CG 3.29Å; D100-K102 WeakPolarHBondContact OD1-CG 3.33Å; D100-K102 PolarHBondContact OD1-N 3.35Å; D100-K102 VanDerWaalsContact OD2-CD 3.28Å; D100-K102 WeakPolarHBondContact OD2-CD 3.35Å; D100-K102 WeakPolarHBondContact OD2-CE 3.37Å; D100-K102 IonicContact OD2-NZ 3.46Å; D100-K102 PolarHBondContact OD2-NZ 2.86Å; D100-N103 WeakPolarHBondContact O-CB 3.48Å; D100-N103 PolarHBondContact O-N 2.95Å
101P97.7Very high98Very high86 Ų8644.7 Ų44.756%0.55823%0.226SC*.G310 helixtrans-52.7-30.2-179.1-28.936000114.3I99 N103 V104I99-P101 WeakPolarHBondContact O-CD 3.34Å; P101-N103 PolarHBondContact O-N 3.22Å; P101-V104 PolarHBondContact O-N 3.25Å; P101-V104 VanDerWaalsContact O-N 3.14Å
102K97.6Very high97.9Very high139 Ų13949 Ų4960%0.60425%0.252SS*.G310 helixtrans-67.9-14.3177.384.4-163.1-177.1-145.90113.8D100D100-K102 HydrophobicContact CB-CG 4.48Å; D100-K102 PolarHBondContact O-N 2.83Å; D100-K102 VanDerWaalsContact OD1-CG 3.29Å; D100-K102 WeakPolarHBondContact OD1-CG 3.33Å; D100-K102 PolarHBondContact OD1-N 3.35Å; D100-K102 VanDerWaalsContact OD2-CD 3.28Å; D100-K102 WeakPolarHBondContact OD2-CD 3.35Å; D100-K102 WeakPolarHBondContact OD2-CE 3.37Å; D100-K102 IonicContact OD2-NZ 3.46Å; D100-K102 PolarHBondContact OD2-NZ 2.86Å
103N98.3Very high97.9Very high5 Ų550.5 Ų50.53%0.02726%0.26CS..G310 helixtrans-97.10.4178.6-67.9-31.9000112.4Y34 V66 K67 T68 D100 P101 H105Y34-N103 VanDerWaalsContact CE1-ND2 3.29Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.37Å; V66-N103 VanDerWaalsContact O-CB 3.3Å; V66-N103 WeakPolarHBondContact O-CB 3.48Å; K67-N103 CarbonylContact C-O 3.52Å; K67-N103 WeakPolarHBondContact CA-O 3.46Å; K67-N103 HydrophobicContact CG-CB 3.99Å; T68-N103 PolarHBondContact N-O 2.88Å; D100-N103 WeakPolarHBondContact O-CB 3.48Å; D100-N103 PolarHBondContact O-N 2.95Å; P101-N103 PolarHBondContact O-N 3.22Å; N103-H105 PolarHBondContact O-CE1 2.94Å; N103-H105 PolarHBondContact O-ND1 3Å; N103-H105 VanDerWaalsContact O-ND1 3.1Å
104V98.6Very high97.8Very high22 Ų2251.3 Ų51.313%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-92.6120.1174.3176.10000109.1Y90 F94 I99 P101 I106Y90-V104 HydrophobicContact CE2-CG1 4.44Å; F94-V104 HydrophobicContact CD1-CG2 4.2Å; F94-V104 HydrophobicContact CD2-CG1 3.74Å; F94-V104 HydrophobicContact CD2-CG2 4.19Å; F94-V104 HydrophobicContact CE1-CG2 4.3Å; F94-V104 HydrophobicContact CE2-CB 4.46Å; F94-V104 HydrophobicContact CE2-CG1 3.35Å; F94-V104 HydrophobicContact CE2-CG2 4.26Å; F94-V104 HydrophobicContact CG-CG2 4.16Å; F94-V104 HydrophobicContact CZ-CG1 3.87Å; F94-V104 HydrophobicContact CZ-CG2 4.33Å; I99-V104 HydrophobicContact CD1-CG2 3.76Å; I99-V104 HydrophobicContact CG1-CG2 4.1Å; I99-V104 HydrophobicContact CG2-CG2 4.14Å; P101-V104 PolarHBondContact O-N 3.25Å; P101-V104 VanDerWaalsContact O-N 3.14Å; V104-I106 HydrophobicContact CG1-CD1 4.19Å; V104-I106 HydrophobicContact CG1-CG1 4.05Å
105H98.7Very high97.8Very high32 Ų3256.2 Ų56.215%0.14829%0.288CS..EExtended strand (participates in β ladder)trans-119.7114.1178.7-47.873.1000109.2T68 F69 N70 N103 F121T68-H105 WeakPolarHBondContact O-CA 3.49Å; T68-H105 VanDerWaalsContact O-CB 3.29Å; T68-H105 WeakPolarHBondContact O-CB 2.99Å; T68-H105 PolarHBondContact O-N 3Å; T68-H105 PolarHBondContact O-ND1 3.5Å; F69-H105 WeakPolarHBondContact CA-O 3.25Å; F69-H105 HydrophobicContact CD1-CB 3.57Å; F69-H105 HydrophobicContact CE1-CB 3.64Å; F69-H105 AromaticContact CE1-CD2 3.86Å; F69-H105 AromaticContact CE1-CG 3.6Å; F69-H105 AromaticContact CE2-ND1 3.97Å; F69-H105 HydrophobicContact CG-CB 4.15Å; F69-H105 HydrophobicContact CZ-CB 4.27Å; F69-H105 AromaticContact CZ-CD2 3.93Å; F69-H105 AromaticContact CZ-CG 3.76Å; F69-H105 AromaticContact CZ-ND1 3.82Å; N70-H105 PolarHBondContact N-O 3.41Å; N103-H105 PolarHBondContact O-CE1 2.94Å; N103-H105 PolarHBondContact O-ND1 3Å; N103-H105 VanDerWaalsContact O-ND1 3.1Å; H105-F121 HydrophobicContact CB-CE2 4Å; H105-F121 HydrophobicContact CB-CZ 4.37Å
106I98.5Very high97.8Very high25 Ų2552.5 Ų52.513%0.12828%0.279CS..  trans-127139.5174.2-52.2179.7000106.3N70 E73 H86 M89 F94 V104 N108N70-I106 HydrophobicContact CB-CB 4.47Å; N70-I106 HydrophobicContact CB-CG1 4.11Å; N70-I106 HydrophobicContact CB-CG2 4.3Å; E73-I106 HydrophobicContact CB-CG2 4.4Å; H86-I106 HydrophobicContact CB-CD1 4.34Å; M89-I106 HydrophobicContact CB-CD1 4.19Å; M89-I106 HydrophobicContact CG-CD1 4.41Å; F94-I106 HydrophobicContact CE2-CD1 4.12Å; V104-I106 HydrophobicContact CG1-CD1 4.19Å; V104-I106 HydrophobicContact CG1-CG1 4.05Å; I106-N108 PolarHBondContact O-N 3.13Å
107L98.5Very high97.8Very high2 Ų250.3 Ų50.31%0.0127%0.269CS..  trans-57134.5177.8-79.4156.6000110.7E73 G109 E117 F121 T157 L186E73-L107 HydrophobicContact CB-CB 4.05Å; E73-L107 VanDerWaalsContact CB-O 3.27Å; E73-L107 WeakPolarHBondContact CB-O 3.26Å; E73-L107 WeakPolarHBondContact CG-O 3.35Å; L107-G109 PolarHBondContact O-N 3.13Å; L107-G109 VanDerWaalsContact O-N 3.15Å; L107-E117 HydrophobicContact CD2-CG 4.19Å; L107-F121 HydrophobicContact CD2-CB 3.71Å; L107-F121 HydrophobicContact CD2-CD1 4.1Å; L107-F121 HydrophobicContact CD2-CD2 3.76Å; L107-F121 HydrophobicContact CD2-CE2 4.38Å; L107-F121 HydrophobicContact CD2-CG 3.59Å; L107-F121 HydrophobicContact CG-CD1 4.18Å; L107-F121 HydrophobicContact CG-CD2 3.89Å; L107-F121 HydrophobicContact CG-CE1 4.27Å; L107-F121 HydrophobicContact CG-CE2 4Å; L107-F121 HydrophobicContact CG-CG 3.98Å; L107-F121 HydrophobicContact CG-CZ 4.18Å; L107-T157 HydrophobicContact CD1-CG2 4.16Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; L107-L186 HydrophobicContact CB-CB 3.93Å; L107-L186 HydrophobicContact CB-CD1 4.09Å; L107-L186 HydrophobicContact CD1-CB 3.78Å; L107-L186 HydrophobicContact CD2-CB 4.13Å; L107-L186 HydrophobicContact CD2-CD1 4.29Å; L107-L186 HydrophobicContact CG-CB 4.16Å
108N97.6Very high97.8Very high47 Ų4749.7 Ų49.725%0.25127%0.266SS..  trans-80.995.4179.9-175.815.9000112.2H79 I106 I110 T111 E117 L186H79-N108 PolarHBondContact NE2-OD1 3.13Å; I106-N108 PolarHBondContact O-N 3.13Å; N108-I110 PolarHBondContact O-N 3.12Å; N108-I110 WeakPolarHBondContact OD1-CG1 3.27Å; N108-I110 PolarHBondContact OD1-N 3.08Å; N108-T111 VanDerWaalsContact O-CG2 3.25Å; N108-T111 WeakPolarHBondContact O-CG2 3.48Å; N108-T111 PolarHBondContact O-N 2.82Å; N108-E117 HydrophobicContact CB-CG 4.15Å; N108-E117 PolarHBondContact N-OE1 3.19Å; N108-L186 WeakPolarHBondContact O-CD1 3.33Å
109G95.7Very high97.8Very high1 Ų153.9 Ų53.91%0.0128%0.284CS..THydrogen-bonded Turntrans-65.5-1417900000116.4Y74 L75 G76 L107Y74-G109 VanDerWaalsContact O-CA 3.31Å; Y74-G109 WeakPolarHBondContact O-CA 3.49Å; L75-G109 CarbonylContact C-O 3.58Å; L75-G109 WeakPolarHBondContact CA-O 3.41Å; G76-G109 PolarHBondContact N-O 2.94Å; L107-G109 PolarHBondContact O-N 3.13Å; L107-G109 VanDerWaalsContact O-N 3.15Å
110I96.4Very high97.8Very high89 Ų8957.2 Ų57.246%0.45630%0.3SS..THydrogen-bonded Turntrans-108.620.4-179.659.9169.3000113L77 N108L77-I110 VanDerWaalsContact O-CG2 3.26Å; L77-I110 WeakPolarHBondContact O-CG2 3.46Å; N108-I110 PolarHBondContact O-N 3.12Å; N108-I110 WeakPolarHBondContact OD1-CG1 3.27Å; N108-I110 PolarHBondContact OD1-N 3.08Å
111T95.9Very high97.8Very high35 Ų3555.2 Ų55.222%0.21529%0.289CS..  trans-67.9149.2175.2-1750000112.4N108 D113 P114 E117N108-T111 VanDerWaalsContact O-CG2 3.25Å; N108-T111 WeakPolarHBondContact O-CG2 3.48Å; N108-T111 PolarHBondContact O-N 2.82Å; T111-D113 VanDerWaalsContact C-N 3.34Å; T111-D113 PolarHBondContact OG1-N 2.79Å; T111-D113 PolarHBondContact OG1-O 2.87Å; T111-P114 HydrophobicContact CG2-CB 4.35Å; T111-P114 HydrophobicContact CG2-CG 4.19Å; T111-E117 HydrophobicContact CG2-CB 3.87Å; T111-E117 HydrophobicContact CG2-CG 4.29Å
112D96.2Very high97.9Very high173 Ų17351.9 Ų51.993%0.92527%0.266SS*.SBendtrans-77.8-21.2170.9-66-38.2000112.4
113D97.8Very high97.9Very high83 Ų8349.8 Ų49.844%0.44426%0.259SS..  trans-129.188.2179.7-167.8-26.6000110.3T111 E115 A116 E117T111-D113 VanDerWaalsContact C-N 3.34Å; T111-D113 PolarHBondContact OG1-N 2.79Å; T111-D113 PolarHBondContact OG1-O 2.87Å; D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 PolarHBondContact O-N 2.82Å; D113-E115 PolarHBondContact OD1-N 3.08Å; D113-A116 HydrophobicContact CB-CB 3.93Å; D113-A116 PolarHBondContact O-N 2.96Å; D113-A116 WeakPolarHBondContact OD1-CB 3.46Å; D113-A116 PolarHBondContact OD1-N 3.45Å; D113-E117 PolarHBondContact O-N 2.79Å; D113-E117 VanDerWaalsContact O-N 3.09Å
114P97.6Very high97.9Very high17 Ų1752.2 Ų52.211%0.1127%0.27CS..Hα-helixtrans-60.3-36.8-178.9-28.739000114.3L75 T111 C118 V159 L186L75-P114 HydrophobicContact CD1-CB 3.97Å; L75-P114 HydrophobicContact CD1-CG 3.78Å; T111-P114 HydrophobicContact CG2-CB 4.35Å; T111-P114 HydrophobicContact CG2-CG 4.19Å; P114-C118 PolarHBondContact O-N 2.78Å; P114-C118 VanDerWaalsContact O-N 3.13Å; P114-C118 PolarHBondContact O-SG 3.27Å; P114-V159 HydrophobicContact CB-CG2 3.42Å; P114-V159 VanDerWaalsContact CB-CG2 3.42Å; P114-L186 HydrophobicContact CB-CD2 4Å
115E97.9Very high97.9Very high109 Ų10951.8 Ų51.851%0.50927%0.267SS..Hα-helixtrans-68.2-46.3178.9-72.971.8-162.400111D113 E117 C118 E119D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 PolarHBondContact O-N 2.82Å; D113-E115 PolarHBondContact OD1-N 3.08Å; E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 3.26Å; E115-C118 WeakPolarHBondContact O-CB 3.36Å; E115-C118 PolarHBondContact O-N 3.09Å; E115-E119 PolarHBondContact O-N 3.19Å
116A98.5Very high97.9Very high37 Ų3757.2 Ų57.231%0.30629%0.291SS..Hα-helixtrans-63.1-37.5176.200000112.6D113 C118 E119 M120D113-A116 HydrophobicContact CB-CB 3.93Å; D113-A116 PolarHBondContact O-N 2.96Å; D113-A116 WeakPolarHBondContact OD1-CB 3.46Å; D113-A116 PolarHBondContact OD1-N 3.45Å; A116-C118 VanDerWaalsContact C-N 3.34Å; A116-C118 PolarHBondContact O-N 3.41Å; A116-E119 PolarHBondContact O-N 3.45Å; A116-M120 VanDerWaalsContact O-CB 3.3Å; A116-M120 WeakPolarHBondContact O-CB 3.48Å; A116-M120 PolarHBondContact O-N 3.09Å
117E98.5Very high97.9Very high21 Ų2163 Ų6310%0.09832%0.315CS..Hα-helixtrans-59.6-44.7173.3174.360.6-162.200111.3L107 N108 T111 D113 E115 E119 M120 F121 L186L107-E117 HydrophobicContact CD2-CG 4.19Å; N108-E117 HydrophobicContact CB-CG 4.15Å; N108-E117 PolarHBondContact N-OE1 3.19Å; T111-E117 HydrophobicContact CG2-CB 3.87Å; T111-E117 HydrophobicContact CG2-CG 4.29Å; D113-E117 PolarHBondContact O-N 2.79Å; D113-E117 VanDerWaalsContact O-N 3.09Å; E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 3.26Å; E117-E119 PolarHBondContact O-N 3.43Å; E117-M120 PolarHBondContact O-N 3.45Å; E117-M120 WeakPolarHBondContact OE2-CE 3.41Å; E117-F121 WeakPolarHBondContact O-CB 3.43Å; E117-F121 PolarHBondContact O-N 3.24Å; E117-L186 HydrophobicContact CB-CD1 4.49Å; E117-L186 HydrophobicContact CG-CD1 3.79Å
118C98.7Very high97.9Very high4 Ų463.9 Ų63.93%0.02732%0.322CS..Hα-helixtrans-62.7-43.9178.1-69.30000112.3P114 E115 A116 F121 E122 T157 R158P114-C118 PolarHBondContact O-N 2.78Å; P114-C118 VanDerWaalsContact O-N 3.13Å; P114-C118 PolarHBondContact O-SG 3.27Å; E115-C118 WeakPolarHBondContact O-CB 3.36Å; E115-C118 PolarHBondContact O-N 3.09Å; A116-C118 VanDerWaalsContact C-N 3.34Å; A116-C118 PolarHBondContact O-N 3.41Å; C118-F121 PolarHBondContact O-N 3.17Å; C118-E122 WeakPolarHBondContact O-CG 3.48Å; C118-E122 PolarHBondContact O-N 3.13Å; C118-T157 HydrophobicContact CB-CG2 3.87Å; C118-R158 WeakPolarHBondContact SG-CA 3.27Å
119E98.6Very high97.8Very high135 Ų13564.6 Ų64.663%0.63134%0.341SS*.Hα-helixtrans-63.1-42.8176.4-70.2-178.4179.400111.6E115 A116 E117 E122 M123E115-E119 PolarHBondContact O-N 3.19Å; A116-E119 PolarHBondContact O-N 3.45Å; E117-E119 PolarHBondContact O-N 3.43Å; E119-E122 PolarHBondContact O-N 2.84Å; E119-M123 WeakPolarHBondContact O-CG 3.24Å; E119-M123 PolarHBondContact O-N 3.07Å
120M98.5Very high98Very high87 Ų8765.4 Ų65.443%0.42935%0.349SS..Hα-helixtrans-63.2-42.2177-179.6162.440.400112A116 E117 E122 M123 E124A116-M120 VanDerWaalsContact O-CB 3.3Å; A116-M120 WeakPolarHBondContact O-CB 3.48Å; A116-M120 PolarHBondContact O-N 3.09Å; E117-M120 PolarHBondContact O-N 3.45Å; E117-M120 WeakPolarHBondContact OE2-CE 3.41Å; M120-E122 VanDerWaalsContact C-N 3.33Å; M120-E122 PolarHBondContact O-N 3.27Å; M120-M123 HydrophobicContact CB-CE 4.23Å; M120-M123 WeakPolarHBondContact O-CB 3.28Å; M120-M123 PolarHBondContact O-N 3.34Å; M120-M123 VanDerWaalsContact O-N 3.12Å; M120-E124 WeakPolarHBondContact O-CG 3.34Å; M120-E124 PolarHBondContact O-N 3.17Å
121F98.8Very high98.1Very high10 Ų1061.4 Ų61.44%0.04433%0.328CS..Hα-helixtrans-60.5-42.9176.6-155.3-99.3000112F69 H105 L107 E117 C118 M123 E124 I125 T157 V188F69-F121 HydrophobicContact CB-CE1 4.35Å; F69-F121 HydrophobicContact CB-CZ 4.23Å; F69-F121 HydrophobicContact CD1-CD1 4.47Å; F69-F121 AromaticContact CD1-CE1 3.86Å; F69-F121 HydrophobicContact CD1-CE1 3.86Å; F69-F121 HydrophobicContact CD1-CE2 4.22Å; F69-F121 AromaticContact CD1-CZ 3.72Å; F69-F121 HydrophobicContact CD1-CZ 3.72Å; F69-F121 HydrophobicContact CG-CZ 4.47Å; H105-F121 HydrophobicContact CB-CE2 4Å; H105-F121 HydrophobicContact CB-CZ 4.37Å; L107-F121 HydrophobicContact CD2-CB 3.71Å; L107-F121 HydrophobicContact CD2-CD1 4.1Å; L107-F121 HydrophobicContact CD2-CD2 3.76Å; L107-F121 HydrophobicContact CD2-CE2 4.38Å; L107-F121 HydrophobicContact CD2-CG 3.59Å; L107-F121 HydrophobicContact CG-CD1 4.18Å; L107-F121 HydrophobicContact CG-CD2 3.89Å; L107-F121 HydrophobicContact CG-CE1 4.27Å; L107-F121 HydrophobicContact CG-CE2 4Å; L107-F121 HydrophobicContact CG-CG 3.98Å; L107-F121 HydrophobicContact CG-CZ 4.18Å; E117-F121 WeakPolarHBondContact O-CB 3.43Å; E117-F121 PolarHBondContact O-N 3.24Å; C118-F121 PolarHBondContact O-N 3.17Å; F121-M123 VanDerWaalsContact C-N 3.34Å; F121-M123 PolarHBondContact O-N 2.8Å; F121-E124 PolarHBondContact O-N 3.25Å; F121-I125 HydrophobicContact CD1-CD1 3.99Å; F121-I125 HydrophobicContact CE1-CD1 4.13Å; F121-I125 WeakPolarHBondContact O-CG1 3.5Å; F121-I125 PolarHBondContact O-N 3.44Å; F121-T157 HydrophobicContact CB-CG2 4.43Å; F121-T157 HydrophobicContact CD1-CG2 4.47Å; F121-V188 HydrophobicContact CD1-CG1 4.28Å; F121-V188 HydrophobicContact CE1-CG1 3.96Å
122E98.8Very high98.2Very high16 Ų1661.7 Ų61.78%0.07533%0.327CS..Hα-helixtrans-63.2-38.5173.8-72.1-80.7-160.400112.4C118 E119 M120 K126 R156 T157 T192C118-E122 WeakPolarHBondContact O-CG 3.48Å; C118-E122 PolarHBondContact O-N 3.13Å; E119-E122 PolarHBondContact O-N 2.84Å; M120-E122 VanDerWaalsContact C-N 3.33Å; M120-E122 PolarHBondContact O-N 3.27Å; E122-K126 WeakPolarHBondContact O-CG 3.16Å; E122-K126 PolarHBondContact O-N 2.59Å; E122-K126 VanDerWaalsContact O-N 3.16Å; E122-R156 WeakPolarHBondContact OE1-CB 3.47Å; E122-R156 IonicContact OE1-CZ 3.19Å; E122-R156 IonicContact OE1-NE 2.89Å; E122-R156 PolarHBondContact OE1-NE 2.93Å; E122-R156 IonicContact OE1-NH2 2.66Å; E122-R156 PolarHBondContact OE1-NH2 3Å; E122-R156 IonicContact OE2-CZ 3.66Å; E122-R156 IonicContact OE2-NE 2.74Å; E122-R156 IonicContact OE2-NH2 3.81Å; E122-R156 PolarHBondContact OE2-NH2 2.98Å; E122-T157 VanDerWaalsContact CD-OG1 3.31Å; E122-T157 WeakPolarHBondContact CG-OG1 3.19Å; E122-T157 PolarHBondContact OE1-N 2.91Å; E122-T157 PolarHBondContact OE1-OG1 3.38Å; E122-T157 VanDerWaalsContact OE1-OG1 3.06Å; E122-T192 PolarHBondContact OE1-OG1 3.43Å
123M98.6Very high98.4Very high95 Ų9553.5 Ų53.547%0.46828%0.284SS..Hα-helixtrans-65.7-42.1174.6-72.7-172.7-73.400112.1E119 M120 F121 K126 K127E119-M123 WeakPolarHBondContact O-CG 3.24Å; E119-M123 PolarHBondContact O-N 3.07Å; M120-M123 HydrophobicContact CB-CE 4.23Å; M120-M123 WeakPolarHBondContact O-CB 3.28Å; M120-M123 PolarHBondContact O-N 3.34Å; M120-M123 VanDerWaalsContact O-N 3.12Å; F121-M123 VanDerWaalsContact C-N 3.34Å; F121-M123 PolarHBondContact O-N 2.8Å; M123-K126 PolarHBondContact O-N 2.98Å; M123-K127 WeakPolarHBondContact O-CB 3.39Å; M123-K127 VanDerWaalsContact O-CG 3.31Å; M123-K127 WeakPolarHBondContact O-CG 3.4Å; M123-K127 PolarHBondContact O-N 3Å
124E98.6Very high98.4Very high56 Ų5649.6 Ų49.626%0.26226%0.263SS..Hα-helixtrans-65.2-38.6178.2-70.2-51.8125.400112.1F69 M120 F121 K126 K127 A128F69-E124 HydrophobicContact CE1-CB 3.94Å; F69-E124 HydrophobicContact CZ-CB 4.25Å; M120-E124 WeakPolarHBondContact O-CG 3.34Å; M120-E124 PolarHBondContact O-N 3.17Å; F121-E124 PolarHBondContact O-N 3.25Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 3.27Å; E124-K127 PolarHBondContact O-N 3.38Å; E124-K127 WeakPolarHBondContact OE1-CD 3.37Å; E124-K127 IonicContact OE1-NZ 2.69Å; E124-K127 PolarHBondContact OE1-NZ 3.48Å; E124-A128 WeakPolarHBondContact O-CB 3.1Å; E124-A128 PolarHBondContact O-N 3.08Å
125I98.7Very high98.5Very high13 Ų1348.8 Ų48.87%0.06726%0.257CS..Hα-helixtrans-58.3-47.1171.5-69.1168.1000110.6F69 F121 A128 G129 G130 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.18Å; F69-I125 HydrophobicContact CD1-CG1 3.42Å; F69-I125 VanDerWaalsContact CD1-CG1 3.42Å; F69-I125 HydrophobicContact CD2-CG1 4.41Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.54Å; F69-I125 HydrophobicContact CE2-CG1 4.5Å; F69-I125 HydrophobicContact CG-CG1 3.9Å; F69-I125 HydrophobicContact CZ-CG1 4.1Å; F121-I125 HydrophobicContact CD1-CD1 3.99Å; F121-I125 HydrophobicContact CE1-CD1 4.13Å; F121-I125 WeakPolarHBondContact O-CG1 3.5Å; F121-I125 PolarHBondContact O-N 3.44Å; I125-A128 PolarHBondContact O-N 3.11Å; I125-G129 PolarHBondContact O-N 2.84Å; I125-G130 PolarHBondContact O-N 3.31Å; I125-I131 HydrophobicContact CD1-CD1 4.31Å; I125-I131 HydrophobicContact CG1-CD1 4.48Å; I125-I131 HydrophobicContact CG2-CD1 4.34Å; I125-I131 HydrophobicContact CG2-CG1 4.06Å; I125-T192 HydrophobicContact CD1-CG2 3.84Å
126K98.4Very high98.5Very high147 Ų14743.6 Ų43.664%0.63923%0.233SC*.Hα-helixtrans-64.5-43.6178.6-72.9175.1-176.8173.80112.2E122 M123 E124 A128 G129E122-K126 WeakPolarHBondContact O-CG 3.16Å; E122-K126 PolarHBondContact O-N 2.59Å; E122-K126 VanDerWaalsContact O-N 3.16Å; M123-K126 PolarHBondContact O-N 2.98Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 3.27Å; K126-A128 PolarHBondContact O-N 3.24Å; K126-G129 WeakPolarHBondContact O-CA 3.13Å; K126-G129 PolarHBondContact O-N 3.41Å
127K97.8Very high98.4Very high146 Ų14642.7 Ų42.764%0.63523%0.227SC*.Hα-helixtrans-62-32.2176.4-73.6172.9-171.2170.70112.2M123 E124 G129M123-K127 WeakPolarHBondContact O-CB 3.39Å; M123-K127 VanDerWaalsContact O-CG 3.31Å; M123-K127 WeakPolarHBondContact O-CG 3.4Å; M123-K127 PolarHBondContact O-N 3Å; E124-K127 PolarHBondContact O-N 3.38Å; E124-K127 WeakPolarHBondContact OE1-CD 3.37Å; E124-K127 IonicContact OE1-NZ 2.69Å; E124-K127 PolarHBondContact OE1-NZ 3.48Å; K127-G129 PolarHBondContact O-N 2.68Å
128A98Very high98.3Very high20 Ų2042 Ų4217%0.16522%0.224CC..THydrogen-bonded Turntrans-73-5.8173.600000113.6V36 K67 F69 E124 I125 K126V36-A128 HydrophobicContact CG1-CB 4.38Å; V36-A128 HydrophobicContact CG2-CB 3.93Å; K67-A128 HydrophobicContact CD-CB 4.25Å; F69-A128 HydrophobicContact CE2-CB 4.04Å; F69-A128 HydrophobicContact CZ-CB 4.18Å; E124-A128 WeakPolarHBondContact O-CB 3.1Å; E124-A128 PolarHBondContact O-N 3.08Å; I125-A128 PolarHBondContact O-N 3.11Å; K126-A128 PolarHBondContact O-N 3.24Å
129G96.7Very high98.1Very high62 Ų6242 Ų4264%0.63923%0.225SC*.THydrogen-bonded Turntrans89.312.3-178.600000114.2I125 K126 K127I125-G129 PolarHBondContact O-N 2.84Å; K126-G129 WeakPolarHBondContact O-CA 3.13Å; K126-G129 PolarHBondContact O-N 3.41Å; K127-G129 PolarHBondContact O-N 2.68Å
130G98.3Very high97.9Very high18 Ų1839 Ų3919%0.18622%0.217CC..SBendtrans86.6164.7-17400000113.5V36 I125V36-G130 WeakPolarHBondContact CB-O 3.46Å; I125-G130 PolarHBondContact O-N 3.31Å
131I98.8Very high97.7Very high5 Ų537.1 Ų37.13%0.02621%0.209CC..  trans-82.5128.8-177.4-64.8174.3000109.6V36 F69 I125 L133 F134 A196 N197V36-I131 HydrophobicContact CG1-CB 4.49Å; V36-I131 HydrophobicContact CG1-CG1 4.02Å; F69-I131 HydrophobicContact CB-CD1 4.34Å; I125-I131 HydrophobicContact CD1-CD1 4.31Å; I125-I131 HydrophobicContact CG1-CD1 4.48Å; I125-I131 HydrophobicContact CG2-CD1 4.34Å; I125-I131 HydrophobicContact CG2-CG1 4.06Å; I131-L133 VanDerWaalsContact CG2-C 3.46Å; I131-L133 VanDerWaalsContact CG2-O 3.25Å; I131-L133 WeakPolarHBondContact CG2-O 3.21Å; I131-F134 HydrophobicContact CD1-CD2 3.4Å; I131-F134 VanDerWaalsContact CD1-CD2 3.4Å; I131-F134 HydrophobicContact CD1-CE2 3.35Å; I131-F134 HydrophobicContact CD1-CG 4.4Å; I131-F134 HydrophobicContact CD1-CZ 4.31Å; I131-F134 HydrophobicContact CG2-CB 3.97Å; I131-F134 HydrophobicContact CG2-CD2 4.1Å; I131-F134 HydrophobicContact CG2-CG 4.25Å; I131-A196 HydrophobicContact CB-CB 3.97Å; I131-A196 HydrophobicContact CG2-CB 3.97Å; I131-A196 CarbonylContact O-C 3.21Å; I131-A196 WeakPolarHBondContact O-CA 3.44Å; I131-N197 PolarHBondContact O-N 2.89Å
132H98.9Very high97.6Very high41 Ų4136.7 Ų36.719%0.1921%0.207CC..SBendtrans-79.9-41.4179.6-65.381.1000111.9F27 F35 V36 E198F27-H132 AromaticContact CE2-CD2 3.45Å; F27-H132 VanDerWaalsContact CE2-CD2 3.45Å; F27-H132 WeakPolarHBondContact CE2-CD2 3.3Å; F27-H132 AromaticContact CE2-NE2 3.2Å; F27-H132 WeakPolarHBondContact CE2-NE2 3.32Å; F27-H132 AromaticContact CZ-CE1 3.94Å; F27-H132 AromaticContact CZ-NE2 3.41Å; F27-H132 WeakPolarHBondContact CZ-NE2 3.28Å; F35-H132 HydrophobicContact CD2-CB 4.06Å; F35-H132 HydrophobicContact CE1-CB 4.24Å; F35-H132 HydrophobicContact CE2-CB 3.65Å; F35-H132 HydrophobicContact CZ-CB 3.75Å; V36-H132 WeakPolarHBondContact CB-ND1 3.21Å; V36-H132 PolarHBondContact N-ND1 2.82Å; V36-H132 WeakPolarHBondContact O-CB 3.43Å; V36-H132 PolarHBondContact O-N 2.97Å; H132-E198 PolarHBondContact O-N 3.48Å
133L98.9Very high97.5Very high1 Ų138.1 Ų38.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-140.3124.3174.9175.463.2000108.2V20 K23 F35 V36 L37 G38 I131 V135 E198 M200V20-L133 HydrophobicContact CG2-CD2 3.8Å; K23-L133 HydrophobicContact CB-CD2 4.47Å; K23-L133 HydrophobicContact CG-CD2 4.3Å; F35-L133 HydrophobicContact CE1-CB 4.27Å; F35-L133 HydrophobicContact CZ-CB 3.89Å; V36-L133 PolarHBondContact O-N 3.1Å; L37-L133 CarbonylContact C-O 3.57Å; L37-L133 WeakPolarHBondContact CA-O 3.42Å; L37-L133 HydrophobicContact CD1-CB 4.12Å; L37-L133 HydrophobicContact CD1-CD2 4.08Å; L37-L133 HydrophobicContact CD1-CG 4.15Å; G38-L133 PolarHBondContact N-O 3.29Å; I131-L133 VanDerWaalsContact CG2-C 3.46Å; I131-L133 VanDerWaalsContact CG2-O 3.25Å; I131-L133 WeakPolarHBondContact CG2-O 3.21Å; L133-V135 HydrophobicContact CD2-CG2 4.17Å; L133-V135 HydrophobicContact CG-CG2 4.11Å; L133-E198 CarbonylContact C-O 3.57Å; L133-E198 WeakPolarHBondContact CA-O 3.47Å; L133-E198 HydrophobicContact CD1-CB 4.11Å; L133-E198 HydrophobicContact CD1-CG 3.98Å; L133-M200 HydrophobicContact CD1-CB 4.03Å
134F98.9Very high97.4Very high1 Ų133.7 Ų33.70%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-106.1115.9170.3-146.2-41.3000108.8M71 I131 V188 V193 A196 E198 V199 M200M71-F134 HydrophobicContact CE-CD1 3.56Å; M71-F134 HydrophobicContact CE-CE1 3.28Å; M71-F134 HydrophobicContact CE-CZ 4.14Å; M71-F134 HydrophobicContact CG-CE1 3.43Å; M71-F134 VanDerWaalsContact CG-CE1 3.43Å; M71-F134 HydrophobicContact CG-CZ 3.73Å; M71-F134 HydrophobicContact SD-CE1 4.22Å; I131-F134 HydrophobicContact CD1-CD2 3.4Å; I131-F134 VanDerWaalsContact CD1-CD2 3.4Å; I131-F134 HydrophobicContact CD1-CE2 3.35Å; I131-F134 HydrophobicContact CD1-CG 4.4Å; I131-F134 HydrophobicContact CD1-CZ 4.31Å; I131-F134 HydrophobicContact CG2-CB 3.97Å; I131-F134 HydrophobicContact CG2-CD2 4.1Å; I131-F134 HydrophobicContact CG2-CG 4.25Å; F134-V188 HydrophobicContact CE2-CG2 4.47Å; F134-V188 HydrophobicContact CZ-CG2 4.13Å; F134-V193 HydrophobicContact CB-CG1 4.24Å; F134-V193 HydrophobicContact CD2-CB 4.27Å; F134-V193 HydrophobicContact CD2-CG1 4.01Å; F134-V193 HydrophobicContact CD2-CG2 4.2Å; F134-V193 HydrophobicContact CE2-CB 4.49Å; F134-V193 HydrophobicContact CE2-CG2 3.96Å; F134-V193 HydrophobicContact CG-CG1 3.99Å; F134-V193 HydrophobicContact CZ-CG2 4.28Å; F134-A196 HydrophobicContact CB-CB 3.84Å; F134-A196 HydrophobicContact CD2-CB 4.45Å; F134-E198 PolarHBondContact N-O 3.17Å; F134-V199 HydrophobicContact CB-CG2 4.44Å; F134-V199 CarbonylContact O-C 3.59Å; F134-V199 WeakPolarHBondContact O-CA 3.2Å; F134-M200 PolarHBondContact O-N 2.99Å
135V98.9Very high97.3Very high0 Ų031.6 Ų31.60%018%0.184CC..EExtended strand (participates in β ladder)trans-92.7133.4172.8-170.70000109.4V20 L37 G38 P40 M48 M71 L133 M200 L202V20-V135 HydrophobicContact CG2-CG2 4.04Å; L37-V135 HydrophobicContact CD1-CG2 4.25Å; G38-V135 PolarHBondContact O-N 2.96Å; P40-V135 WeakPolarHBondContact CD-O 3.36Å; P40-V135 HydrophobicContact CG-CG1 4.32Å; P40-V135 WeakPolarHBondContact CG-O 3.21Å; M48-V135 HydrophobicContact CE-CB 4.46Å; M48-V135 HydrophobicContact CE-CG1 3.91Å; M48-V135 HydrophobicContact SD-CG1 4.02Å; M71-V135 WeakPolarHBondContact CE-O 3.37Å; L133-V135 HydrophobicContact CD2-CG2 4.17Å; L133-V135 HydrophobicContact CG-CG2 4.11Å; V135-M200 CarbonylContact C-O 3.58Å; V135-M200 VanDerWaalsContact CA-O 3.29Å; V135-M200 WeakPolarHBondContact CA-O 3.39Å; V135-M200 HydrophobicContact CB-CE 4.34Å; V135-M200 HydrophobicContact CG1-CE 3.79Å; V135-M200 HydrophobicContact CG2-CE 3.62Å; V135-L202 HydrophobicContact CG1-CD1 4.09Å; V135-L202 HydrophobicContact CG1-CG 4.14Å
136G98.2Very high97.1Very high0 Ų031.5 Ų31.50%018%0.183CC..EExtended strand (participates in β ladder)trans-136160.5179.800000112.5M71 M200 I201 L202M71-G136 VanDerWaalsContact CE-CA 3.46Å; G136-M200 PolarHBondContact N-O 3.29Å; G136-I201 CarbonylContact O-C 3.45Å; G136-I201 WeakPolarHBondContact O-CA 3.42Å; G136-L202 PolarHBondContact O-N 3.22Å
137G96.8Very high97.1Very high18 Ų1824.5 Ų24.519%0.18615%0.153CC..EExtended strand (participates in β ladder)trans-113.2174.4159.200000109.9
138I96.9Very high97Very high7 Ų717.9 Ų17.94%0.03612%0.124CC..  trans-124150.3173.465.6179000112.9H143 I144 I201 V203 K208 A211 V226I138-H143 CarbonylContact C-O 3.58Å; I138-H143 WeakPolarHBondContact CA-O 3.47Å; I138-I144 HydrophobicContact CG2-CG1 4.1Å; I138-I201 HydrophobicContact CG2-CG2 3.62Å; I138-V203 HydrophobicContact CD1-CB 4.4Å; I138-V203 HydrophobicContact CD1-CG1 3.75Å; I138-V203 HydrophobicContact CD1-CG2 3.71Å; I138-V203 HydrophobicContact CG1-CG1 4.01Å; I138-V203 HydrophobicContact CG1-CG2 3.98Å; I138-K208 WeakPolarHBondContact O-CE 3.24Å; I138-K208 PolarHBondContact O-NZ 2.92Å; I138-A211 HydrophobicContact CD1-CB 3.78Å; I138-V226 HydrophobicContact CG2-CB 4.08Å; I138-V226 HydrophobicContact CG2-CG2 3.7Å
139G94.3Very high96.9Very high3 Ų319.2 Ų19.23%0.03113%0.131CC..  trans-73.2164.6166.200000113.2D141 G142 H143 A211G139-D141 PolarHBondContact O-N 3.42Å; G139-G142 PolarHBondContact O-N 3.35Å; G139-H143 VanDerWaalsContact CA-CE1 3.44Å; G139-H143 WeakPolarHBondContact CA-CE1 3.43Å; G139-H143 WeakPolarHBondContact CA-NE2 3.32Å; G139-H143 PolarHBondContact N-O 3.29Å; G139-A211 WeakPolarHBondContact O-CB 3.42Å
140P94.1Very high96.9Very high74 Ų7418 Ų1848%0.48112%0.118SC..THydrogen-bonded Turntrans-64.1-20.2173.429.1-35.3000113.4S207 K208P140-S207 VanDerWaalsContact CB-O 3.29Å; P140-S207 WeakPolarHBondContact CB-O 3.35Å; P140-K208 HydrophobicContact CB-CD 4.33Å
141D95Very high96.9Very high47 Ų4717.5 Ų17.525%0.25111%0.112SC..THydrogen-bonded Turntrans-92.87.1172.564.5-8.8000112.8G139 H143 P149 W224G139-D141 PolarHBondContact O-N 3.42Å; D141-H143 PolarHBondContact O-N 2.94Å; D141-H143 IonicContact OD1-CE1 2.66Å; D141-H143 IonicContact OD1-CG 3.52Å; D141-H143 VanDerWaalsContact OD1-CG 3.31Å; D141-H143 PolarHBondContact OD1-N 3.49Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; D141-H143 IonicContact OD1-ND1 3.41Å; D141-H143 PolarHBondContact OD1-ND1 2.74Å; D141-H143 IonicContact OD2-ND1 3.81Å; D141-H143 PolarHBondContact OD2-ND1 3.13Å; D141-P149 HydrophobicContact CB-CG 3.97Å; D141-P149 VanDerWaalsContact OD2-CD 3.26Å; D141-P149 WeakPolarHBondContact OD2-CD 3.25Å; D141-W224 VanDerWaalsContact C-CE3 3.45Å; D141-W224 WeakPolarHBondContact O-CZ3 3.45Å
142G96.4Very high96.8Very high0 Ų020.6 Ų20.60%013%0.134CC..  trans75.414.5-18000000115.8G139 T225 V226G139-G142 PolarHBondContact O-N 3.35Å; G142-T225 PolarHBondContact O-OG1 2.98Å; G142-V226 WeakPolarHBondContact O-CB 3.13Å; G142-V226 WeakPolarHBondContact O-CG1 3.41Å; G142-V226 PolarHBondContact O-N 3.5Å
143H96.4Very high96.8Very high47 Ų4721.1 Ų21.122%0.21814%0.138CC..  trans-65.6150.4171.371-116000112.1I138 G139 D141 A145 N147 T225I138-H143 CarbonylContact C-O 3.58Å; I138-H143 WeakPolarHBondContact CA-O 3.47Å; G139-H143 VanDerWaalsContact CA-CE1 3.44Å; G139-H143 WeakPolarHBondContact CA-CE1 3.43Å; G139-H143 WeakPolarHBondContact CA-NE2 3.32Å; G139-H143 PolarHBondContact N-O 3.29Å; D141-H143 PolarHBondContact O-N 2.94Å; D141-H143 IonicContact OD1-CE1 2.66Å; D141-H143 IonicContact OD1-CG 3.52Å; D141-H143 VanDerWaalsContact OD1-CG 3.31Å; D141-H143 PolarHBondContact OD1-N 3.49Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; D141-H143 IonicContact OD1-ND1 3.41Å; D141-H143 PolarHBondContact OD1-ND1 2.74Å; D141-H143 IonicContact OD2-ND1 3.81Å; D141-H143 PolarHBondContact OD2-ND1 3.13Å; H143-A145 PolarHBondContact CD2-O 3.25Å; H143-N147 WeakPolarHBondContact CB-O 3.45Å; H143-T225 WeakPolarHBondContact CA-OG1 3.36Å
144I95.9Very high96.8Very high2 Ų224.8 Ų24.81%0.0117%0.168CC..BIsolated β-bridgetrans-119.8133.8166.6-58.7141.8000107.4M71 I138 N147 V226 F229M71-I144 HydrophobicContact CE-CG2 3.97Å; M71-I144 HydrophobicContact SD-CG2 4.37Å; I138-I144 HydrophobicContact CG2-CG1 4.1Å; I144-N147 WeakPolarHBondContact O-CB 3.37Å; I144-N147 PolarHBondContact O-N 3.49Å; I144-N147 PolarHBondContact O-ND2 2.9Å; I144-V226 HydrophobicContact CD1-CB 4.2Å; I144-V226 HydrophobicContact CG1-CB 4.33Å; I144-F229 HydrophobicContact CD1-CD2 4.02Å; I144-F229 HydrophobicContact CD1-CE1 4.24Å; I144-F229 HydrophobicContact CD1-CE2 3.15Å; I144-F229 HydrophobicContact CD1-CZ 3.27Å; I144-F229 HydrophobicContact CG1-CE2 3.76Å; I144-F229 HydrophobicContact CG1-CZ 4.06Å; I144-F229 HydrophobicContact CG2-CZ 4.35Å
145A96.3Very high96.8Very high12 Ų1225.2 Ų25.210%0.09917%0.171CC..THydrogen-bonded Turntrans52.7-139.7-167.700000109.2M71 D72 H143 N147 T187 V188M71-A145 HydrophobicContact CB-CB 3.73Å; M71-A145 HydrophobicContact CG-CB 4.22Å; M71-A145 HydrophobicContact SD-CB 3.94Å; D72-A145 WeakPolarHBondContact OD2-CA 3.41Å; D72-A145 VanDerWaalsContact OD2-CB 3.24Å; D72-A145 WeakPolarHBondContact OD2-CB 3.43Å; H143-A145 PolarHBondContact CD2-O 3.25Å; A145-N147 VanDerWaalsContact C-N 3.31Å; A145-N147 PolarHBondContact O-N 2.86Å; A145-T187 VanDerWaalsContact CB-OG1 3.28Å; A145-T187 WeakPolarHBondContact CB-OG1 3.32Å; A145-V188 HydrophobicContact CB-CG2 4.39Å
146F96.3Very high96.8Very high11 Ų1129.3 Ų29.35%0.04819%0.187CC..THydrogen-bonded Turntrans-92.725.8168.1-66.7-63.6000113.8D72 Y74 Y85 E148 L162 T166 C185 T187D72-F146 HydrophobicContact CB-CD2 3.49Å; D72-F146 VanDerWaalsContact CB-CD2 3.49Å; D72-F146 HydrophobicContact CB-CE2 3.77Å; D72-F146 PolarHBondContact OD2-N 2.8Å; Y74-F146 HydrophobicContact CE1-CE2 4.42Å; Y74-F146 AromaticContact CE1-CZ 3.82Å; Y74-F146 HydrophobicContact CE1-CZ 3.82Å; Y74-F146 AromaticContact CZ-CZ 3.95Å; Y85-F146 AromaticContact CE2-CE2 3.64Å; Y85-F146 HydrophobicContact CE2-CE2 3.64Å; Y85-F146 AromaticContact CE2-CZ 3.8Å; Y85-F146 HydrophobicContact CE2-CZ 3.8Å; Y85-F146 AromaticContact CZ-CZ 3.97Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.49Å; F146-E148 PolarHBondContact O-N 2.84Å; F146-L162 HydrophobicContact CB-CD2 4.47Å; F146-L162 HydrophobicContact CD1-CD2 3.6Å; F146-L162 HydrophobicContact CE1-CD2 3.83Å; F146-L162 HydrophobicContact CG-CD2 3.98Å; F146-L162 HydrophobicContact CZ-CD2 4.39Å; F146-T166 HydrophobicContact CE1-CG2 4.32Å; F146-C185 VanDerWaalsContact CB-SG 3.51Å; F146-C185 HydrophobicContact CD2-CB 3.64Å; F146-C185 WeakPolarHBondContact CD2-SG 3.31Å; F146-C185 HydrophobicContact CE2-CB 3.82Å; F146-C185 HydrophobicContact CG-CB 4.35Å; F146-C185 WeakPolarHBondContact CG-SG 3.48Å; F146-T187 HydrophobicContact CB-CG2 4Å; F146-T187 PolarHBondContact N-OG1 2.71Å
147N97.5Very high96.8Very high0 Ų029.9 Ų29.90%019%0.191CC..BIsolated β-bridgetrans-79.871171.5-59.7-75.3000110.9H143 I144 A145 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.45Å; I144-N147 WeakPolarHBondContact O-CB 3.37Å; I144-N147 PolarHBondContact O-N 3.49Å; I144-N147 PolarHBondContact O-ND2 2.9Å; A145-N147 VanDerWaalsContact C-N 3.31Å; A145-N147 PolarHBondContact O-N 2.86Å; N147-R158 PolarHBondContact OD1-NH1 3.09Å; N147-R158 PolarHBondContact OD1-NH2 2.96Å; N147-R158 VanDerWaalsContact OD1-NH2 3.08Å; N147-V188 PolarHBondContact ND2-O 3.5Å; N147-V188 PolarHBondContact OD1-O 3.31Å; N147-V190 HydrophobicContact CB-CG2 3.73Å; N147-T225 HydrophobicContact CB-CG2 4.47Å; N147-T225 VanDerWaalsContact O-CG2 3.32Å; N147-T225 WeakPolarHBondContact O-CG2 3.36Å; N147-T225 PolarHBondContact O-OG1 2.88Å
148E94.8Very high96.9Very high6 Ų631.8 Ų31.83%0.02819%0.192CC..  trans-59.9161.6177.9-67.8176.1138.400112.7F146 G150 S151 K160 A163 T166F146-E148 PolarHBondContact O-N 2.84Å; E148-G150 PolarHBondContact O-N 3.21Å; E148-S151 PolarHBondContact N-OG 3.02Å; E148-S151 WeakPolarHBondContact O-CB 3.39Å; E148-S151 PolarHBondContact O-N 2.81Å; E148-S151 PolarHBondContact O-OG 3.02Å; E148-K160 IonicContact OE2-NZ 2.72Å; E148-K160 PolarHBondContact OE2-NZ 2.84Å; E148-A163 WeakPolarHBondContact OE1-CB 3.46Å; E148-A163 PolarHBondContact OE1-N 3.37Å; E148-A163 PolarHBondContact OE2-N 2.84Å; E148-A163 VanDerWaalsContact OE2-N 3.12Å; E148-T166 WeakPolarHBondContact OE1-CB 3.16Å; E148-T166 PolarHBondContact OE1-OG1 3.04Å
149P96.5Very high96.9Very high48 Ų4833.1 Ų33.131%0.31220%0.2SC..THydrogen-bonded Turntrans-46.9132.8174.9-30.235.9000113.2D141 M223D141-P149 HydrophobicContact CB-CG 3.97Å; D141-P149 VanDerWaalsContact OD2-CD 3.26Å; D141-P149 WeakPolarHBondContact OD2-CD 3.25Å; P149-M223 HydrophobicContact CB-CE 3.71Å; P149-M223 WeakPolarHBondContact CB-O 3.32Å; P149-M223 HydrophobicContact CB-SD 4.26Å
150G96.4Very high97.1Very high36 Ų3635.1 Ų35.137%0.37121%0.208SC..THydrogen-bonded Turntrans93.1-9.9-175.500000114.2E148 H222E148-G150 PolarHBondContact O-N 3.21Å; G150-H222 PolarHBondContact N-O 3.43Å; G150-H222 PolarHBondContact O-ND1 2.67Å
151S97.8Very high97.1Very high8 Ų835.8 Ų35.86%0.05621%0.211CC..  trans-62.1138.7174.8-640000111.8E148 L153 R158 H222E148-S151 PolarHBondContact N-OG 3.02Å; E148-S151 WeakPolarHBondContact O-CB 3.39Å; E148-S151 PolarHBondContact O-N 2.81Å; E148-S151 PolarHBondContact O-OG 3.02Å; S151-L153 PolarHBondContact O-N 3.2Å; S151-R158 PolarHBondContact OG-NH2 3.36Å; S151-R158 VanDerWaalsContact OG-NH2 3.11Å; S151-H222 WeakPolarHBondContact O-CB 3.31Å
152S98.5Very high96.9Very high70 Ų7034.1 Ų34.149%0.4920%0.202SC..  trans-56.5133.1175.3174.30000111.1A154 S155S152-A154 PolarHBondContact O-N 3.13Å; S152-A154 PolarHBondContact OG-N 3.23Å; S152-S155 WeakPolarHBondContact O-CB 3.45Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 2.99Å
153L98.3Very high96.5Very high53 Ų5335.7 Ų35.728%0.27722%0.215SC..THydrogen-bonded Turntrans-68.8-14.3175.7-59.5-174.2000112.9S151 V190 V220 H222 T225 A228S151-L153 PolarHBondContact O-N 3.2Å; L153-V190 WeakPolarHBondContact O-CG1 3.41Å; L153-V220 HydrophobicContact CD1-CG1 3.45Å; L153-V220 VanDerWaalsContact CD1-CG1 3.45Å; L153-H222 HydrophobicContact CD2-CB 4.17Å; L153-H222 HydrophobicContact CG-CB 4.16Å; L153-T225 HydrophobicContact CD2-CG2 4.46Å; L153-A228 HydrophobicContact CD2-CB 4.22Å
154A98.1Very high96.1Very high77 Ų7741.1 Ų41.164%0.63624%0.238SC*.THydrogen-bonded Turntrans-107.716.9172.300000112.4S152S152-A154 PolarHBondContact O-N 3.13Å; S152-A154 PolarHBondContact OG-N 3.23Å
155S98.6Very high95.6Very high10 Ų1047.8 Ų47.87%0.0727%0.269CS..  trans-58.3150179.350.40000112.3S152 G189 V190 G191S152-S155 WeakPolarHBondContact O-CB 3.45Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 2.99Å; S155-G189 CarbonylContact O-C 3.54Å; S155-G189 VanDerWaalsContact O-CA 3.31Å; S155-G189 WeakPolarHBondContact O-CA 3.33Å; S155-V190 PolarHBondContact O-N 3.04Å; S155-V190 PolarHBondContact OG-N 3.19Å; S155-G191 VanDerWaalsContact O-CA 3.3Å; S155-G191 WeakPolarHBondContact O-CA 3.42Å; S155-G191 PolarHBondContact O-N 2.83Å
156R98.8Very high95Very high87 Ų8748.1 Ų48.133%0.32827%0.27SS..  trans-107.9177.1171.4-60.1-48.2-61-165.8-5.1110.8E122 R158 G189 D195E122-R156 WeakPolarHBondContact OE1-CB 3.47Å; E122-R156 IonicContact OE1-CZ 3.19Å; E122-R156 IonicContact OE1-NE 2.89Å; E122-R156 PolarHBondContact OE1-NE 2.93Å; E122-R156 IonicContact OE1-NH2 2.66Å; E122-R156 PolarHBondContact OE1-NH2 3Å; E122-R156 IonicContact OE2-CZ 3.66Å; E122-R156 IonicContact OE2-NE 2.74Å; E122-R156 IonicContact OE2-NH2 3.81Å; E122-R156 PolarHBondContact OE2-NH2 2.98Å; R156-R158 PolarHBondContact O-N 2.98Å; R156-R158 PolarHBondContact O-NH1 3.15Å; R156-G189 WeakPolarHBondContact O-CA 3.2Å; R156-G189 PolarHBondContact O-N 2.91Å; R156-D195 IonicContact CZ-OD2 3.21Å; R156-D195 VanDerWaalsContact CZ-OD2 3.24Å; R156-D195 IonicContact NH1-OD1 3.31Å; R156-D195 IonicContact NH1-OD2 3.2Å; R156-D195 PolarHBondContact NH1-OD2 2.72Å; R156-D195 IonicContact NH2-OD2 2.71Å; R156-D195 PolarHBondContact NH2-OD2 3.47Å
157T98.8Very high94.6Very high12 Ų1248.7 Ų48.77%0.07427%0.274CS..SBendtrans-53.8128.3171.4-51.40000110.1L107 C118 F121 E122 T187 T192L107-T157 HydrophobicContact CD1-CG2 4.16Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; C118-T157 HydrophobicContact CB-CG2 3.87Å; F121-T157 HydrophobicContact CB-CG2 4.43Å; F121-T157 HydrophobicContact CD1-CG2 4.47Å; E122-T157 VanDerWaalsContact CD-OG1 3.31Å; E122-T157 WeakPolarHBondContact CG-OG1 3.19Å; E122-T157 PolarHBondContact OE1-N 2.91Å; E122-T157 PolarHBondContact OE1-OG1 3.38Å; E122-T157 VanDerWaalsContact OE1-OG1 3.06Å; T157-T187 CarbonylContact C-O 3.56Å; T157-T187 WeakPolarHBondContact CA-O 3.42Å; T157-T192 PolarHBondContact N-OG1 3.32Å
158R98.7Very high94.1Very high58 Ų5852.6 Ų52.622%0.21930%0.298CS..EExtended strand (participates in β ladder)trans-158.3165.5-17368.2-171.8-175.5-66.1-1112.4C118 N147 S151 R156 T187C118-R158 WeakPolarHBondContact SG-CA 3.27Å; N147-R158 PolarHBondContact OD1-NH1 3.09Å; N147-R158 PolarHBondContact OD1-NH2 2.96Å; N147-R158 VanDerWaalsContact OD1-NH2 3.08Å; S151-R158 PolarHBondContact OG-NH2 3.36Å; S151-R158 VanDerWaalsContact OG-NH2 3.11Å; R156-R158 PolarHBondContact O-N 2.98Å; R156-R158 PolarHBondContact O-NH1 3.15Å; R158-T187 PolarHBondContact N-O 2.58Å; R158-T187 PolarHBondContact O-N 2.99Å
159V97.9Very high93.5Very high34 Ų3454.9 Ų54.921%0.20632%0.318CS..EExtended strand (participates in β ladder)trans-67.7133.4160-173.40000109.4L75 P114 R184 C185 L186L75-V159 HydrophobicContact CD1-CG1 4.44Å; P114-V159 HydrophobicContact CB-CG2 3.42Å; P114-V159 VanDerWaalsContact CB-CG2 3.42Å; V159-R184 HydrophobicContact CG1-CB 4.43Å; V159-C185 CarbonylContact C-O 3.55Å; V159-C185 WeakPolarHBondContact CA-O 3.32Å; V159-L186 HydrophobicContact CB-CD2 4.47Å; V159-L186 HydrophobicContact CG2-CD2 3.77Å
160K97Very high92.9Very high45 Ų4553.6 Ų53.620%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-131.4126.6174.9-178.167.4173.475.80110.2E148 R184 C185 T187E148-K160 IonicContact OE2-NZ 2.72Å; E148-K160 PolarHBondContact OE2-NZ 2.84Å; K160-R184 WeakPolarHBondContact O-CA 3.16Å; K160-C185 PolarHBondContact N-O 2.83Å; K160-C185 PolarHBondContact O-N 2.91Å; K160-C185 PolarHBondContact O-SG 2.84Å; K160-C185 VanDerWaalsContact O-SG 3.34Å; K160-T187 HydrophobicContact CB-CG2 3.99Å
161T94.8Very high92.5Very high89 Ų8952.2 Ų52.255%0.54629%0.294SS..EExtended strand (participates in β ladder)trans-72.6128.4166-52.70000108.9E183T161-E183 WeakPolarHBondContact CA-O 3.12Å
162L91.4Very high92Very high11 Ų1159.9 Ų59.96%0.05832%0.321CS..PPolyproline II helixtrans-70.8142.6178.4-59.1-176.9000110.5Y74 F146 T166 V167 P182 E183 C185Y74-L162 HydrophobicContact CD1-CD1 4.32Å; Y74-L162 HydrophobicContact CE1-CD1 3.84Å; F146-L162 HydrophobicContact CB-CD2 4.47Å; F146-L162 HydrophobicContact CD1-CD2 3.6Å; F146-L162 HydrophobicContact CE1-CD2 3.83Å; F146-L162 HydrophobicContact CG-CD2 3.98Å; F146-L162 HydrophobicContact CZ-CD2 4.39Å; L162-T166 HydrophobicContact CB-CG2 4.35Å; L162-T166 HydrophobicContact CD1-CG2 4.36Å; L162-T166 HydrophobicContact CD2-CG2 4.29Å; L162-V167 HydrophobicContact CB-CG2 3.9Å; L162-V167 HydrophobicContact CD1-CG2 4.48Å; L162-P182 WeakPolarHBondContact CD1-O 3.35Å; L162-E183 PolarHBondContact N-O 3.42Å; L162-C185 HydrophobicContact CD2-CB 4.18Å; L162-C185 VanDerWaalsContact CD2-SG 3.51Å
163A88.2Confident91.4Very high33 Ų3360.8 Ų60.827%0.27332%0.317SS..PPolyproline II helixtrans-63.2152.4169.500000110.4E148 E165 T166 V167E148-A163 WeakPolarHBondContact OE1-CB 3.46Å; E148-A163 PolarHBondContact OE1-N 3.37Å; E148-A163 PolarHBondContact OE2-N 2.84Å; E148-A163 VanDerWaalsContact OE2-N 3.12Å; A163-E165 PolarHBondContact O-N 3.3Å; A163-T166 WeakPolarHBondContact O-CA 3.36Å; A163-T166 WeakPolarHBondContact O-CB 3.34Å; A163-T166 PolarHBondContact O-N 2.71Å; A163-V167 PolarHBondContact O-N 2.78Å
164K88.3Confident90.9Very high161 Ų16158.7 Ų58.770%0.731%0.305SS*.Hα-helixtrans-60.1-37.5-179-172178.5179.8-178.40111.2T166 V167 V168K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3.21Å; K164-V167 PolarHBondContact O-N 3.3Å; K164-V168 VanDerWaalsContact O-CG2 3.28Å; K164-V168 WeakPolarHBondContact O-CG2 3.34Å; K164-V168 PolarHBondContact O-N 2.78Å
165E84.5Confident90.4Very high142 Ų14258.3 Ų58.366%0.66431%0.309SS*.Hα-helixtrans-60.5-41175.8-63.671.3-156.400111.1A163 V168 A169A163-E165 PolarHBondContact O-N 3.3Å; E165-V168 PolarHBondContact O-N 3.04Å; E165-A169 VanDerWaalsContact O-CB 3.28Å; E165-A169 WeakPolarHBondContact O-CB 3.22Å; E165-A169 PolarHBondContact O-N 3.5Å
166T83.7Confident89.9Confident19 Ų1964 Ų6412%0.11734%0.339CS..Hα-helixtrans-65.6-44.7175.8-55.70000111.3F146 E148 L162 A163 K164 V168 A169 N170F146-T166 HydrophobicContact CE1-CG2 4.32Å; E148-T166 WeakPolarHBondContact OE1-CB 3.16Å; E148-T166 PolarHBondContact OE1-OG1 3.04Å; L162-T166 HydrophobicContact CB-CG2 4.35Å; L162-T166 HydrophobicContact CD1-CG2 4.36Å; L162-T166 HydrophobicContact CD2-CG2 4.29Å; A163-T166 WeakPolarHBondContact O-CA 3.36Å; A163-T166 WeakPolarHBondContact O-CB 3.34Å; A163-T166 PolarHBondContact O-N 2.71Å; K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3.21Å; T166-V168 VanDerWaalsContact C-N 3.34Å; T166-V168 PolarHBondContact O-N 3.41Å; T166-A169 PolarHBondContact O-N 3.36Å; T166-N170 WeakPolarHBondContact O-CB 3.47Å; T166-N170 VanDerWaalsContact O-CG 3.28Å; T166-N170 PolarHBondContact O-N 3.37Å
167V87.6Confident89.4Confident23 Ų2362.9 Ų62.914%0.13934%0.339CS..Hα-helixtrans-59.7-45.8176176.90000110.7L162 A163 K164 N170 A171 L178 V181L162-V167 HydrophobicContact CB-CG2 3.9Å; L162-V167 HydrophobicContact CD1-CG2 4.48Å; A163-V167 PolarHBondContact O-N 2.78Å; K164-V167 PolarHBondContact O-N 3.3Å; V167-N170 PolarHBondContact O-N 2.8Å; V167-A171 PolarHBondContact O-N 3.15Å; V167-A171 VanDerWaalsContact O-N 3.09Å; V167-L178 HydrophobicContact CG1-CD2 3.97Å; V167-V181 HydrophobicContact CB-CG1 4.4Å; V167-V181 HydrophobicContact CG1-CB 3.94Å; V167-V181 HydrophobicContact CG1-CG1 3.95Å; V167-V181 HydrophobicContact CG1-CG2 4.48Å
168V87.9Confident88.8Confident83 Ų8366.7 Ų66.750%0.50336%0.358SS..Hα-helixtrans-64.8-44.6177.9172.10000111.8K164 E165 T166 N170 A171 L178K164-V168 VanDerWaalsContact O-CG2 3.28Å; K164-V168 WeakPolarHBondContact O-CG2 3.34Å; K164-V168 PolarHBondContact O-N 2.78Å; E165-V168 PolarHBondContact O-N 3.04Å; T166-V168 VanDerWaalsContact C-N 3.34Å; T166-V168 PolarHBondContact O-N 3.41Å; V168-N170 VanDerWaalsContact C-N 3.27Å; V168-N170 PolarHBondContact O-N 3.27Å; V168-A171 WeakPolarHBondContact O-CB 3.33Å; V168-A171 PolarHBondContact O-N 3.19Å; V168-L178 HydrophobicContact CG2-CD2 3.98Å
169A82.3Confident88.3Confident53 Ų5368.9 Ų68.944%0.43838%0.383SS..Hα-helixtrans-64.3-33.2179.200000112.5E165 T166 R172E165-A169 VanDerWaalsContact O-CB 3.28Å; E165-A169 WeakPolarHBondContact O-CB 3.22Å; E165-A169 PolarHBondContact O-N 3.5Å; T166-A169 PolarHBondContact O-N 3.36Å; A169-R172 WeakPolarHBondContact O-CD 3.23Å; A169-R172 WeakPolarHBondContact O-CG 3.33Å; A169-R172 PolarHBondContact O-NE 2.83Å
170N83.6Confident87.9Confident21 Ų2172.3 Ų72.311%0.11240%0.396CS..Hα-helixtrans-84.6-17.9-178.8-69.9-13.3000113.4Y74 T166 V167 V168 R172 F173 F174 V181Y74-N170 PolarHBondContact OH-ND2 2.85Å; T166-N170 WeakPolarHBondContact O-CB 3.47Å; T166-N170 VanDerWaalsContact O-CG 3.28Å; T166-N170 PolarHBondContact O-N 3.37Å; V167-N170 PolarHBondContact O-N 2.8Å; V168-N170 VanDerWaalsContact C-N 3.27Å; V168-N170 PolarHBondContact O-N 3.27Å; N170-R172 PolarHBondContact O-N 3.2Å; N170-F173 HydrophobicContact CB-CD2 4.39Å; N170-F173 WeakPolarHBondContact O-CB 3.14Å; N170-F173 WeakPolarHBondContact O-CD2 3.18Å; N170-F173 PolarHBondContact O-N 2.74Å; N170-F174 WeakPolarHBondContact O-CD2 3.47Å; N170-V181 HydrophobicContact CB-CG1 4.16Å
171A88.3Confident87.6Confident8 Ų870.4 Ų70.47%0.06639%0.389CS..G310 helixtrans-52.5-31.3179.200000113.9V167 V168 F173 F174 D176 L178 V181V167-A171 PolarHBondContact O-N 3.15Å; V167-A171 VanDerWaalsContact O-N 3.09Å; V168-A171 WeakPolarHBondContact O-CB 3.33Å; V168-A171 PolarHBondContact O-N 3.19Å; A171-F173 PolarHBondContact O-N 3.12Å; A171-F173 VanDerWaalsContact O-N 3.1Å; A171-F174 CarbonylContact O-C 3.41Å; A171-F174 WeakPolarHBondContact O-CA 3.45Å; A171-F174 PolarHBondContact O-N 2.88Å; A171-D176 WeakPolarHBondContact O-CA 3.39Å; A171-D176 PolarHBondContact O-N 3.34Å; A171-L178 HydrophobicContact CB-CD2 3.91Å; A171-L178 HydrophobicContact CB-CG 4.43Å; A171-V181 HydrophobicContact CB-CG2 4.05Å
172R87.6Confident87.4Confident169 Ų16966.9 Ų66.964%0.63837%0.367SS*.G310 helixtrans-56.1-26174.270.9-173.8176.9-174.8-5.6114.1A169 N170 D176A169-R172 WeakPolarHBondContact O-CD 3.23Å; A169-R172 WeakPolarHBondContact O-CG 3.33Å; A169-R172 PolarHBondContact O-NE 2.83Å; N170-R172 PolarHBondContact O-N 3.2Å; R172-D176 WeakPolarHBondContact CA-OD1 3.5Å
173F84.1Confident87.5Confident89 Ų8973.3 Ų73.339%0.3940%0.397SS..G310 helixtrans-86.5-13.5177.5-58.4-58.2000112.8Q83 N170 A171Q83-F173 HydrophobicContact CG-CB 4.28Å; Q83-F173 WeakPolarHBondContact CG-O 3.26Å; Q83-F173 PolarHBondContact NE2-O 3.34Å; N170-F173 HydrophobicContact CB-CD2 4.39Å; N170-F173 WeakPolarHBondContact O-CB 3.14Å; N170-F173 WeakPolarHBondContact O-CD2 3.18Å; N170-F173 PolarHBondContact O-N 2.74Å; A171-F173 PolarHBondContact O-N 3.12Å; A171-F173 VanDerWaalsContact O-N 3.1Å
174F88.8Confident87.8Confident8 Ų877.3 Ų77.34%0.03541%0.405CS..THydrogen-bonded Turntrans-115.438.4-177.3-62.8-93.3000111.4L77 H81 Q83 N170 A171 D176 N177 Q180 V181L77-F174 HydrophobicContact CD1-CE1 3.89Å; L77-F174 HydrophobicContact CD1-CZ 3.91Å; L77-F174 HydrophobicContact CD2-CE1 4.26Å; H81-F174 AromaticContact CE1-CE1 3.85Å; Q83-F174 HydrophobicContact CB-CE1 3.82Å; Q83-F174 HydrophobicContact CB-CE2 4.31Å; Q83-F174 HydrophobicContact CB-CZ 3.65Å; Q83-F174 HydrophobicContact CG-CD1 4.45Å; Q83-F174 HydrophobicContact CG-CE1 4.15Å; Q83-F174 HydrophobicContact CG-CZ 4.19Å; N170-F174 WeakPolarHBondContact O-CD2 3.47Å; A171-F174 CarbonylContact O-C 3.41Å; A171-F174 WeakPolarHBondContact O-CA 3.45Å; A171-F174 PolarHBondContact O-N 2.88Å; F174-D176 VanDerWaalsContact C-N 3.27Å; F174-D176 PolarHBondContact O-N 3.3Å; F174-N177 WeakPolarHBondContact O-CB 3.15Å; F174-N177 PolarHBondContact O-N 2.95Å; F174-N177 VanDerWaalsContact O-N 3.13Å; F174-Q180 HydrophobicContact CB-CB 3.93Å; F174-Q180 HydrophobicContact CD1-CB 4.18Å; F174-Q180 VanDerWaalsContact CD1-O 3.3Å; F174-Q180 WeakPolarHBondContact CD1-O 3.33Å; F174-Q180 HydrophobicContact CG-CB 4.43Å; F174-V181 HydrophobicContact CB-CG2 4.13Å; F174-V181 HydrophobicContact CD2-CB 4.4Å; F174-V181 HydrophobicContact CD2-CG1 4.48Å; F174-V181 HydrophobicContact CD2-CG2 3.76Å; F174-V181 HydrophobicContact CE2-CG1 4.38Å; F174-V181 HydrophobicContact CE2-CG2 4.45Å; F174-V181 HydrophobicContact CG-CG2 4.07Å
175G88.5Confident88.2Confident69 Ų6969.7 Ų69.771%0.71137%0.372SS*.THydrogen-bonded Turntrans61.733.7177.900000113.8N177G175-N177 PolarHBondContact O-N 3.36Å; G175-N177 VanDerWaalsContact O-N 3.14Å
176D86.3Confident88.9Confident131 Ų13162.9 Ų62.970%0.70134%0.34SS*.THydrogen-bonded Turntrans58.122.5-176.2-60.5-54.3000113.9A171 R172 F174A171-D176 WeakPolarHBondContact O-CA 3.39Å; A171-D176 PolarHBondContact O-N 3.34Å; R172-D176 WeakPolarHBondContact CA-OD1 3.5Å; F174-D176 VanDerWaalsContact C-N 3.27Å; F174-D176 PolarHBondContact O-N 3.3Å
177N88.2Confident89.6Confident62 Ų6262 Ų6233%0.33234%0.335SS..  trans-105.3104.4178.3-173.2-9.8000111.5F174 G175 S179 Q180F174-N177 WeakPolarHBondContact O-CB 3.15Å; F174-N177 PolarHBondContact O-N 2.95Å; F174-N177 VanDerWaalsContact O-N 3.13Å; G175-N177 PolarHBondContact O-N 3.36Å; G175-N177 VanDerWaalsContact O-N 3.14Å; N177-S179 VanDerWaalsContact CG-OG 3.32Å; N177-S179 PolarHBondContact ND2-OG 3.11Å; N177-S179 PolarHBondContact O-N 3.41Å; N177-S179 WeakPolarHBondContact OD1-CB 3.24Å; N177-S179 PolarHBondContact OD1-N 3.31Å; N177-S179 PolarHBondContact OD1-OG 3.45Å; N177-Q180 HydrophobicContact CB-CB 4.5Å; N177-Q180 HydrophobicContact CB-CG 4.22Å; N177-Q180 PolarHBondContact O-N 2.92Å
178L87.7Confident90.1Very high92 Ų9261 Ų6148%0.48233%0.328SS..G310 helixtrans-55.1-34.1177.9-72.3167.4000113.5V167 V168 A171 Q180 V181V167-L178 HydrophobicContact CG1-CD2 3.97Å; V168-L178 HydrophobicContact CG2-CD2 3.98Å; A171-L178 HydrophobicContact CB-CD2 3.91Å; A171-L178 HydrophobicContact CB-CG 4.43Å; L178-Q180 PolarHBondContact O-N 2.94Å; L178-V181 PolarHBondContact O-N 3.4Å; L178-V181 VanDerWaalsContact O-N 3.15Å
179S88.7Confident90.6Very high104 Ų10457 Ų5773%0.72730%0.304SS*.G310 helixtrans-70.2-14.5-178.867.50000113.9N177N177-S179 VanDerWaalsContact CG-OG 3.32Å; N177-S179 PolarHBondContact ND2-OG 3.11Å; N177-S179 PolarHBondContact O-N 3.41Å; N177-S179 WeakPolarHBondContact OD1-CB 3.24Å; N177-S179 PolarHBondContact OD1-N 3.31Å; N177-S179 PolarHBondContact OD1-OG 3.45Å
180Q89.2Confident91.4Very high106 Ų10654.5 Ų54.550%0.49528%0.284SS..G310 helixtrans-92.4-11.5175.2-67.9-169.519.800112.8F174 N177 L178 P182F174-Q180 HydrophobicContact CB-CB 3.93Å; F174-Q180 HydrophobicContact CD1-CB 4.18Å; F174-Q180 VanDerWaalsContact CD1-O 3.3Å; F174-Q180 WeakPolarHBondContact CD1-O 3.33Å; F174-Q180 HydrophobicContact CG-CB 4.43Å; N177-Q180 HydrophobicContact CB-CB 4.5Å; N177-Q180 HydrophobicContact CB-CG 4.22Å; N177-Q180 PolarHBondContact O-N 2.92Å; L178-Q180 PolarHBondContact O-N 2.94Å; Q180-P182 WeakPolarHBondContact O-CD 3.46Å
181V90Very high92.1Very high6 Ų653.9 Ų53.94%0.03628%0.282CS..SBendtrans-78.9123.2178.4-173.30000108.4V167 N170 A171 F174 L178 E183V167-V181 HydrophobicContact CB-CG1 4.4Å; V167-V181 HydrophobicContact CG1-CB 3.94Å; V167-V181 HydrophobicContact CG1-CG1 3.95Å; V167-V181 HydrophobicContact CG1-CG2 4.48Å; N170-V181 HydrophobicContact CB-CG1 4.16Å; A171-V181 HydrophobicContact CB-CG2 4.05Å; F174-V181 HydrophobicContact CB-CG2 4.13Å; F174-V181 HydrophobicContact CD2-CB 4.4Å; F174-V181 HydrophobicContact CD2-CG1 4.48Å; F174-V181 HydrophobicContact CD2-CG2 3.76Å; F174-V181 HydrophobicContact CE2-CG1 4.38Å; F174-V181 HydrophobicContact CE2-CG2 4.45Å; F174-V181 HydrophobicContact CG-CG2 4.07Å; L178-V181 PolarHBondContact O-N 3.4Å; L178-V181 VanDerWaalsContact O-N 3.15Å; V181-E183 PolarHBondContact O-N 2.87Å
182P91.2Very high92.6Very high15 Ų1553.7 Ų53.710%0.09728%0.28CS..  trans-58.8132.6175.6-24.735.3000111.2Y74 L77 L162 Q180 R184Y74-P182 HydrophobicContact CD1-CB 3.82Å; Y74-P182 HydrophobicContact CD1-CG 3.89Å; Y74-P182 HydrophobicContact CG-CB 4.2Å; Y74-P182 HydrophobicContact CG-CG 3.9Å; L77-P182 HydrophobicContact CD1-CG 3.71Å; L77-P182 HydrophobicContact CD2-CG 3.91Å; L77-P182 HydrophobicContact CG-CG 3.54Å; L162-P182 WeakPolarHBondContact CD1-O 3.35Å; Q180-P182 WeakPolarHBondContact O-CD 3.46Å; P182-R184 VanDerWaalsContact C-N 3.32Å
183E92.5Very high93.2Very high146 Ų14645.6 Ų45.668%0.68225%0.25SC*.SBendtrans-81.5-15.4179.6-61.9-175.7168.700112.9T161 L162 V181T161-E183 WeakPolarHBondContact CA-O 3.12Å; L162-E183 PolarHBondContact N-O 3.42Å; V181-E183 PolarHBondContact O-N 2.87Å
184R95.3Very high93.8Very high117 Ų11743.4 Ų43.444%0.44224%0.241SC..EExtended strand (participates in β ladder)trans-131.6152.3-177-63.5-173-67.21681.2110.8L75 V159 K160 P182L75-R184 HydrophobicContact CB-CB 4.17Å; L75-R184 WeakPolarHBondContact CB-O 3.42Å; L75-R184 PolarHBondContact N-O 2.86Å; V159-R184 HydrophobicContact CG1-CB 4.43Å; K160-R184 WeakPolarHBondContact O-CA 3.16Å; P182-R184 VanDerWaalsContact C-N 3.32Å
185C96.6Very high94.3Very high0 Ų047.6 Ų47.60%026%0.264CS..EExtended strand (participates in β ladder)trans-137.9164.1174.862.30000110.2E73 F146 V159 K160 L162E73-C185 CarbonylContact O-C 3.55Å; E73-C185 WeakPolarHBondContact O-CA 3.29Å; E73-C185 WeakPolarHBondContact O-CB 3.5Å; F146-C185 VanDerWaalsContact CB-SG 3.51Å; F146-C185 HydrophobicContact CD2-CB 3.64Å; F146-C185 WeakPolarHBondContact CD2-SG 3.31Å; F146-C185 HydrophobicContact CE2-CB 3.82Å; F146-C185 HydrophobicContact CG-CB 4.35Å; F146-C185 WeakPolarHBondContact CG-SG 3.48Å; V159-C185 CarbonylContact C-O 3.55Å; V159-C185 WeakPolarHBondContact CA-O 3.32Å; K160-C185 PolarHBondContact N-O 2.83Å; K160-C185 PolarHBondContact O-N 2.91Å; K160-C185 PolarHBondContact O-SG 2.84Å; K160-C185 VanDerWaalsContact O-SG 3.34Å; L162-C185 HydrophobicContact CD2-CB 4.18Å; L162-C185 VanDerWaalsContact CD2-SG 3.51Å
186L98.5Very high94.8Very high0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-99.7136.5161.9-53.8-179.8000107.3D72 E73 L75 L107 N108 P114 E117 V159D72-L186 CarbonylContact C-O 3.54Å; D72-L186 WeakPolarHBondContact CA-O 3.39Å; D72-L186 VanDerWaalsContact CB-O 3.23Å; D72-L186 WeakPolarHBondContact CB-O 3.42Å; E73-L186 PolarHBondContact N-O 3.34Å; E73-L186 PolarHBondContact O-N 2.98Å; L75-L186 HydrophobicContact CD1-CD2 4.18Å; L107-L186 HydrophobicContact CB-CB 3.93Å; L107-L186 HydrophobicContact CB-CD1 4.09Å; L107-L186 HydrophobicContact CD1-CB 3.78Å; L107-L186 HydrophobicContact CD2-CB 4.13Å; L107-L186 HydrophobicContact CD2-CD1 4.29Å; L107-L186 HydrophobicContact CG-CB 4.16Å; N108-L186 WeakPolarHBondContact O-CD1 3.33Å; P114-L186 HydrophobicContact CB-CD2 4Å; E117-L186 HydrophobicContact CB-CD1 4.49Å; E117-L186 HydrophobicContact CG-CD1 3.79Å; V159-L186 HydrophobicContact CB-CD2 4.47Å; V159-L186 HydrophobicContact CG2-CD2 3.77Å
187T98.7Very high95.4Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-148.8141.8-179.7-1700000111.4M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.57Å; M71-T187 WeakPolarHBondContact O-CA 3.26Å; A145-T187 VanDerWaalsContact CB-OG1 3.28Å; A145-T187 WeakPolarHBondContact CB-OG1 3.32Å; F146-T187 HydrophobicContact CB-CG2 4Å; F146-T187 PolarHBondContact N-OG1 2.71Å; T157-T187 CarbonylContact C-O 3.56Å; T157-T187 WeakPolarHBondContact CA-O 3.42Å; R158-T187 PolarHBondContact N-O 2.58Å; R158-T187 PolarHBondContact O-N 2.99Å; K160-T187 HydrophobicContact CB-CG2 3.99Å
188V98.8Very high95.9Very high1 Ų140.9 Ų40.91%0.00621%0.212CC..  trans-59.9145167.8-61.30000110M71 F121 F134 A145 N147 T192 V193M71-V188 HydrophobicContact CB-CG2 4.15Å; M71-V188 HydrophobicContact CG-CG2 4.24Å; M71-V188 WeakPolarHBondContact O-CG2 3.45Å; M71-V188 PolarHBondContact O-N 2.94Å; F121-V188 HydrophobicContact CD1-CG1 4.28Å; F121-V188 HydrophobicContact CE1-CG1 3.96Å; F134-V188 HydrophobicContact CE2-CG2 4.47Å; F134-V188 HydrophobicContact CZ-CG2 4.13Å; A145-V188 HydrophobicContact CB-CG2 4.39Å; N147-V188 PolarHBondContact ND2-O 3.5Å; N147-V188 PolarHBondContact OD1-O 3.31Å; V188-T192 HydrophobicContact CB-CG2 3.99Å; V188-T192 HydrophobicContact CG1-CG2 4.19Å; V188-V193 HydrophobicContact CG2-CG2 3.74Å
189G98.7Very high96.4Very high0 Ų036.5 Ų36.50%019%0.189CC..  trans-79.3165.5178.600000113S155 R156 G191 T192 V193S155-G189 CarbonylContact O-C 3.54Å; S155-G189 VanDerWaalsContact O-CA 3.31Å; S155-G189 WeakPolarHBondContact O-CA 3.33Å; R156-G189 WeakPolarHBondContact O-CA 3.2Å; R156-G189 PolarHBondContact O-N 2.91Å; G189-G191 PolarHBondContact O-N 3.44Å; G189-T192 PolarHBondContact N-OG1 3.02Å; G189-T192 VanDerWaalsContact N-OG1 3.08Å; G189-T192 WeakPolarHBondContact O-CB 3.41Å; G189-T192 PolarHBondContact O-N 3.28Å; G189-T192 VanDerWaalsContact O-N 3.08Å; G189-V193 PolarHBondContact O-N 3.45Å; G189-V193 VanDerWaalsContact O-N 3.08Å
190V98.6Very high96.9Very high1 Ų131.6 Ų31.61%0.00615%0.154CC..Hα-helixtrans-56.9-43.2170.8-179.90000110.1N147 L153 S155 T192 V193 M194 T225 A228N147-V190 HydrophobicContact CB-CG2 3.73Å; L153-V190 WeakPolarHBondContact O-CG1 3.41Å; S155-V190 PolarHBondContact O-N 3.04Å; S155-V190 PolarHBondContact OG-N 3.19Å; V190-T192 VanDerWaalsContact C-N 3.33Å; V190-T192 PolarHBondContact O-N 3.08Å; V190-V193 PolarHBondContact O-N 2.72Å; V190-M194 HydrophobicContact CG1-CG 4.27Å; V190-M194 WeakPolarHBondContact O-CB 3.44Å; V190-M194 WeakPolarHBondContact O-CG 3.42Å; V190-M194 PolarHBondContact O-N 3.42Å; V190-T225 HydrophobicContact CG2-CG2 4.36Å; V190-A228 HydrophobicContact CG1-CB 3.56Å
191G98.5Very high97.3Very high8 Ų826.6 Ų26.68%0.08213%0.131CC..Hα-helixtrans-62.7-38.2175.400000112.7S155 G189 V193 M194 D195S155-G191 VanDerWaalsContact O-CA 3.3Å; S155-G191 WeakPolarHBondContact O-CA 3.42Å; S155-G191 PolarHBondContact O-N 2.83Å; G189-G191 PolarHBondContact O-N 3.44Å; G191-V193 PolarHBondContact O-N 3.36Å; G191-M194 PolarHBondContact O-N 3.07Å; G191-D195 VanDerWaalsContact O-CG 3.3Å; G191-D195 PolarHBondContact O-N 3.3Å
192T98.8Very high97.7Very high3 Ų326.3 Ų26.32%0.01813%0.13CC..Hα-helixtrans-62.2-42.1176.7-42.20000111.6E122 I125 T157 V188 G189 V190 D195E122-T192 PolarHBondContact OE1-OG1 3.43Å; I125-T192 HydrophobicContact CD1-CG2 3.84Å; T157-T192 PolarHBondContact N-OG1 3.32Å; V188-T192 HydrophobicContact CB-CG2 3.99Å; V188-T192 HydrophobicContact CG1-CG2 4.19Å; G189-T192 PolarHBondContact N-OG1 3.02Å; G189-T192 VanDerWaalsContact N-OG1 3.08Å; G189-T192 WeakPolarHBondContact O-CB 3.41Å; G189-T192 PolarHBondContact O-N 3.28Å; G189-T192 VanDerWaalsContact O-N 3.08Å; V190-T192 VanDerWaalsContact C-N 3.33Å; V190-T192 PolarHBondContact O-N 3.08Å; T192-D195 PolarHBondContact O-N 3.2Å
193V98.6Very high98.1Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-69.7-39.5175.4-176.30000111.1F134 V188 G189 V190 G191 D195 A196 V199 F229F134-V193 HydrophobicContact CB-CG1 4.24Å; F134-V193 HydrophobicContact CD2-CB 4.27Å; F134-V193 HydrophobicContact CD2-CG1 4.01Å; F134-V193 HydrophobicContact CD2-CG2 4.2Å; F134-V193 HydrophobicContact CE2-CB 4.49Å; F134-V193 HydrophobicContact CE2-CG2 3.96Å; F134-V193 HydrophobicContact CG-CG1 3.99Å; F134-V193 HydrophobicContact CZ-CG2 4.28Å; V188-V193 HydrophobicContact CG2-CG2 3.74Å; G189-V193 PolarHBondContact O-N 3.45Å; G189-V193 VanDerWaalsContact O-N 3.08Å; V190-V193 PolarHBondContact O-N 2.72Å; G191-V193 PolarHBondContact O-N 3.36Å; V193-D195 PolarHBondContact O-N 2.94Å; V193-A196 VanDerWaalsContact O-CB 3.26Å; V193-A196 WeakPolarHBondContact O-CB 3.31Å; V193-A196 PolarHBondContact O-N 2.66Å; V193-A196 VanDerWaalsContact O-N 3.15Å; V193-V199 HydrophobicContact CG1-CG1 4.15Å; V193-V199 HydrophobicContact CG1-CG2 4.09Å; V193-V199 WeakPolarHBondContact O-CG2 3.42Å; V193-F229 HydrophobicContact CB-CE1 4.41Å; V193-F229 HydrophobicContact CG1-CE1 3.78Å; V193-F229 HydrophobicContact CG1-CZ 3.78Å
194M98.3Very high98.4Very high42 Ų4219.8 Ų19.821%0.20710%0.099CC..Hα-helixtrans-66.7-19.2177.8-71.7-73.7-67.500114.2V190 G191 A228 F229 H231 H232V190-M194 HydrophobicContact CG1-CG 4.27Å; V190-M194 WeakPolarHBondContact O-CB 3.44Å; V190-M194 WeakPolarHBondContact O-CG 3.42Å; V190-M194 PolarHBondContact O-N 3.42Å; G191-M194 PolarHBondContact O-N 3.07Å; M194-A228 VanDerWaalsContact CE-O 3.3Å; M194-A228 WeakPolarHBondContact CE-O 3.41Å; M194-A228 HydrophobicContact SD-CB 4.41Å; M194-F229 HydrophobicContact CG-CD1 4.47Å; M194-F229 HydrophobicContact CG-CE1 4.39Å; M194-F229 HydrophobicContact SD-CD1 3.45Å; M194-F229 WeakPolarHBondContact SD-CD1 3.42Å; M194-F229 HydrophobicContact SD-CE1 3.92Å; M194-H231 HydrophobicContact CE-CB 3.9Å; M194-H232 HydrophobicContact CE-CB 3.9Å; M194-H232 PolarHBondContact O-CD2 2.92Å; M194-H232 VanDerWaalsContact O-CD2 3.23Å; M194-H232 PolarHBondContact O-NE2 3.38Å; M194-H232 HydrophobicContact SD-CB 3.81Å
195D98.5Very high98.4Very high97 Ų9715.1 Ų15.152%0.5199%0.087SC..THydrogen-bonded Turntrans-75.8-12.4174-76.5-11.4000112.8R156 G191 T192 V193R156-D195 IonicContact CZ-OD2 3.21Å; R156-D195 VanDerWaalsContact CZ-OD2 3.24Å; R156-D195 IonicContact NH1-OD1 3.31Å; R156-D195 IonicContact NH1-OD2 3.2Å; R156-D195 PolarHBondContact NH1-OD2 2.72Å; R156-D195 IonicContact NH2-OD2 2.71Å; R156-D195 PolarHBondContact NH2-OD2 3.47Å; G191-D195 VanDerWaalsContact O-CG 3.3Å; G191-D195 PolarHBondContact O-N 3.3Å; T192-D195 PolarHBondContact O-N 3.2Å; V193-D195 PolarHBondContact O-N 2.94Å
196A98.7Very high98.5Very high5 Ų519.4 Ų19.44%0.04111%0.114CC..SBendtrans-63.9149.717700000111.5I131 F134 V193 E198 V199 H232I131-A196 HydrophobicContact CB-CB 3.97Å; I131-A196 HydrophobicContact CG2-CB 3.97Å; I131-A196 CarbonylContact O-C 3.21Å; I131-A196 WeakPolarHBondContact O-CA 3.44Å; F134-A196 HydrophobicContact CB-CB 3.84Å; F134-A196 HydrophobicContact CD2-CB 4.45Å; V193-A196 VanDerWaalsContact O-CB 3.26Å; V193-A196 WeakPolarHBondContact O-CB 3.31Å; V193-A196 PolarHBondContact O-N 2.66Å; V193-A196 VanDerWaalsContact O-N 3.15Å; A196-E198 PolarHBondContact O-N 2.86Å; A196-V199 HydrophobicContact CB-CG2 4.14Å; A196-H232 PolarHBondContact O-CE1 3.01Å; A196-H232 VanDerWaalsContact O-CE1 3.32Å; A196-H232 PolarHBondContact O-NE2 2.98Å
197N98.5Very high98.4Very high99 Ų9923.1 Ų23.153%0.52914%0.14SC..SBendtrans-65-30.5176.4-71.6-31.5000112.3I131I131-N197 PolarHBondContact O-N 2.89Å
198E98.8Very high98.3Very high16 Ų1624.5 Ų24.58%0.07515%0.146CC..  trans-149.7140.5179.2-170.3164175.100110.2Y19 K23 H132 L133 F134 A196 K234 I236Y19-E198 WeakPolarHBondContact CE1-OE1 3.18Å; Y19-E198 VanDerWaalsContact CZ-OE1 3.23Å; Y19-E198 PolarHBondContact OH-OE1 2.85Å; K23-E198 VanDerWaalsContact CE-OE2 3.29Å; K23-E198 WeakPolarHBondContact CE-OE2 3.28Å; K23-E198 IonicContact NZ-OE1 2.65Å; K23-E198 PolarHBondContact NZ-OE1 2.97Å; K23-E198 IonicContact NZ-OE2 3.37Å; K23-E198 PolarHBondContact NZ-OE2 3.48Å; H132-E198 PolarHBondContact O-N 3.48Å; L133-E198 CarbonylContact C-O 3.57Å; L133-E198 WeakPolarHBondContact CA-O 3.47Å; L133-E198 HydrophobicContact CD1-CB 4.11Å; L133-E198 HydrophobicContact CD1-CG 3.98Å; F134-E198 PolarHBondContact N-O 3.17Å; A196-E198 PolarHBondContact O-N 2.86Å; E198-K234 WeakPolarHBondContact CA-O 3.34Å; E198-K234 HydrophobicContact CB-CB 4.34Å; E198-K234 HydrophobicContact CG-CB 4.12Å; E198-I236 WeakPolarHBondContact OE1-CD1 3.32Å
199V98.7Very high98.2Very high1 Ų124.6 Ų24.61%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-122.6129.1178.2179.40000108.9F134 V193 A196 I201 F229 K234 S235 I236F134-V199 HydrophobicContact CB-CG2 4.44Å; F134-V199 CarbonylContact O-C 3.59Å; F134-V199 WeakPolarHBondContact O-CA 3.2Å; V193-V199 HydrophobicContact CG1-CG1 4.15Å; V193-V199 HydrophobicContact CG1-CG2 4.09Å; V193-V199 WeakPolarHBondContact O-CG2 3.42Å; A196-V199 HydrophobicContact CB-CG2 4.14Å; V199-I201 HydrophobicContact CG1-CD1 3.62Å; V199-I201 HydrophobicContact CG1-CG1 4Å; V199-F229 HydrophobicContact CB-CE1 4.5Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CE1 3.78Å; V199-F229 HydrophobicContact CG1-CE2 4.17Å; V199-F229 HydrophobicContact CG1-CZ 3.78Å; V199-F229 HydrophobicContact CG2-CE1 4.35Å; V199-K234 PolarHBondContact N-O 3.09Å; V199-S235 CarbonylContact O-C 3.54Å; V199-S235 WeakPolarHBondContact O-CA 3.47Å; V199-I236 PolarHBondContact O-N 3.37Å
200M98.8Very high98.2Very high0 Ų028 Ų280%017%0.165CC..EExtended strand (participates in β ladder)trans-119.1120.7175.5-178.5172.469.300109.9W15 A16 Y19 V20 M48 L133 F134 V135 G136 L202 I236 V238W15-M200 HydrophobicContact CE3-SD 4.4Å; W15-M200 HydrophobicContact CZ3-SD 3.8Å; A16-M200 HydrophobicContact CB-CE 3.84Å; A16-M200 HydrophobicContact CB-SD 4.27Å; Y19-M200 HydrophobicContact CD1-SD 3.85Å; Y19-M200 HydrophobicContact CG-SD 4.4Å; V20-M200 HydrophobicContact CG2-CE 3.82Å; M48-M200 HydrophobicContact SD-CE 4.16Å; L133-M200 HydrophobicContact CD1-CB 4.03Å; F134-M200 PolarHBondContact O-N 2.99Å; V135-M200 CarbonylContact C-O 3.58Å; V135-M200 VanDerWaalsContact CA-O 3.29Å; V135-M200 WeakPolarHBondContact CA-O 3.39Å; V135-M200 HydrophobicContact CB-CE 4.34Å; V135-M200 HydrophobicContact CG1-CE 3.79Å; V135-M200 HydrophobicContact CG2-CE 3.62Å; G136-M200 PolarHBondContact N-O 3.29Å; M200-L202 HydrophobicContact CE-CD2 4.3Å; M200-L202 HydrophobicContact CG-CD2 4.15Å; M200-L202 HydrophobicContact SD-CD2 4.4Å; M200-I236 CarbonylContact C-O 3.51Å; M200-I236 WeakPolarHBondContact CA-O 3.5Å; M200-V238 HydrophobicContact CG-CG2 3.98Å; M200-V238 HydrophobicContact SD-CG2 4.08Å
201I98.7Very high98.2Very high1 Ų128 Ų281%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-111.2123.7-178.1-56.1-55.8000109.7G136 I138 V199 V203 F229 I236 F237 V238G136-I201 CarbonylContact O-C 3.45Å; G136-I201 WeakPolarHBondContact O-CA 3.42Å; I138-I201 HydrophobicContact CG2-CG2 3.62Å; V199-I201 HydrophobicContact CG1-CD1 3.62Å; V199-I201 HydrophobicContact CG1-CG1 4Å; I201-V203 HydrophobicContact CG2-CG2 3.85Å; I201-F229 HydrophobicContact CD1-CD2 4.04Å; I201-F229 HydrophobicContact CD1-CE2 3.27Å; I201-F229 HydrophobicContact CD1-CZ 3.82Å; I201-F229 HydrophobicContact CG1-CD2 3.69Å; I201-F229 HydrophobicContact CG1-CE2 3.47Å; I201-F229 VanDerWaalsContact CG1-CE2 3.47Å; I201-F229 HydrophobicContact CG1-CZ 4.38Å; I201-I236 PolarHBondContact N-O 3.3Å; I201-F237 HydrophobicContact CB-CD1 3.84Å; I201-F237 HydrophobicContact CB-CE1 3.92Å; I201-F237 HydrophobicContact CB-CG 4.33Å; I201-F237 HydrophobicContact CB-CZ 4.47Å; I201-F237 HydrophobicContact CG1-CE1 4.22Å; I201-F237 HydrophobicContact CG1-CZ 4.32Å; I201-F237 HydrophobicContact CG2-CD1 3.92Å; I201-F237 HydrophobicContact CG2-CE1 3.86Å; I201-F237 CarbonylContact O-C 3.21Å; I201-F237 WeakPolarHBondContact O-CA 3.3Å; I201-V238 PolarHBondContact O-N 2.93Å
202L98.8Very high98.1Very high1 Ų127.6 Ų27.61%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-95.9126.2177.4-50.3-175.7000109.1V12 A16 T44 M48 V135 G136 M200 V238V12-L202 HydrophobicContact CG1-CB 4.46Å; V12-L202 HydrophobicContact CG1-CD2 4.3Å; A16-L202 HydrophobicContact CB-CD1 4.22Å; A16-L202 HydrophobicContact CB-CD2 3.62Å; T44-L202 HydrophobicContact CG2-CB 3.52Å; M48-L202 HydrophobicContact SD-CD1 4.25Å; V135-L202 HydrophobicContact CG1-CD1 4.09Å; V135-L202 HydrophobicContact CG1-CG 4.14Å; G136-L202 PolarHBondContact O-N 3.22Å; M200-L202 HydrophobicContact CE-CD2 4.3Å; M200-L202 HydrophobicContact CG-CD2 4.15Å; M200-L202 HydrophobicContact SD-CD2 4.4Å; L202-V238 WeakPolarHBondContact CA-O 3.48Å; L202-V238 HydrophobicContact CD2-CB 3.96Å; L202-V238 HydrophobicContact CD2-CG2 4.25Å
203V98.4Very high98.1Very high0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-133.8111.8-178.9-165.70000109.8I138 I201 K208 L212 F237 V238 V239 D240 A243I138-V203 HydrophobicContact CD1-CB 4.4Å; I138-V203 HydrophobicContact CD1-CG1 3.75Å; I138-V203 HydrophobicContact CD1-CG2 3.71Å; I138-V203 HydrophobicContact CG1-CG1 4.01Å; I138-V203 HydrophobicContact CG1-CG2 3.98Å; I201-V203 HydrophobicContact CG2-CG2 3.85Å; V203-K208 HydrophobicContact CG1-CB 3.44Å; V203-K208 VanDerWaalsContact CG1-CB 3.44Å; V203-K208 HydrophobicContact CG1-CG 4.16Å; V203-L212 HydrophobicContact CG1-CB 4.45Å; V203-L212 HydrophobicContact CG2-CD1 4.31Å; V203-F237 HydrophobicContact CG2-CD1 4.2Å; V203-V238 PolarHBondContact N-O 3.01Å; V203-V239 HydrophobicContact CB-CB 4.31Å; V203-V239 HydrophobicContact CB-CG1 3.78Å; V203-V239 HydrophobicContact CG2-CG1 4.05Å; V203-V239 WeakPolarHBondContact O-CA 3.22Å; V203-D240 PolarHBondContact O-N 3.28Å; V203-A243 HydrophobicContact CB-CB 4.41Å; V203-A243 HydrophobicContact CG1-CB 3.9Å
204T98.2Very high98Very high24 Ų2430.8 Ų30.815%0.14718%0.175CC..  trans-128.1136.4-177.559.10000111.6P9 V12 T44 D240P9-T204 HydrophobicContact CB-CG2 4.01Å; P9-T204 HydrophobicContact CG-CG2 4.37Å; V12-T204 HydrophobicContact CB-CG2 4.1Å; V12-T204 HydrophobicContact CG1-CG2 3.91Å; V12-T204 HydrophobicContact CG2-CG2 4.15Å; T44-T204 HydrophobicContact CG2-CG2 4.36Å; T204-D240 WeakPolarHBondContact CA-OD1 3.48Å; T204-D240 VanDerWaalsContact CA-OD2 3.31Å; T204-D240 WeakPolarHBondContact CA-OD2 3.22Å; T204-D240 WeakPolarHBondContact CB-OD2 3.17Å
205G97.4Very high98Very high18 Ų1828.8 Ų28.819%0.18617%0.165CC..SBendtrans88.7153.217200000114.8S207 K208 D240G205-S207 PolarHBondContact O-N 3.22Å; G205-S207 VanDerWaalsContact O-N 3.1Å; G205-K208 PolarHBondContact O-N 2.81Å; G205-D240 VanDerWaalsContact N-CG 3.27Å; G205-D240 PolarHBondContact N-OD1 2.82Å; G205-D240 PolarHBondContact N-OD2 3.39Å
206T97.2Very high97.9Very high90 Ų9025.5 Ų25.555%0.55215%0.147SC*.G310 helixtrans-56.3-31.2-176.754.80000113.9K208 A209 D242 M245T206-K208 PolarHBondContact O-N 3.34Å; T206-A209 WeakPolarHBondContact O-CB 3.27Å; T206-A209 PolarHBondContact O-N 3.28Å; T206-D242 WeakPolarHBondContact CA-O 3.38Å; T206-D242 HydrophobicContact CG2-CB 3.83Å; T206-M245 HydrophobicContact CG2-CG 4.4Å
207S95.8Very high97.8Very high79 Ų7927.4 Ų27.455%0.55216%0.155SC*.G310 helixtrans-57.4-17.2175.868.40000114.3P140 G205P140-S207 VanDerWaalsContact CB-O 3.29Å; P140-S207 WeakPolarHBondContact CB-O 3.35Å; G205-S207 PolarHBondContact O-N 3.22Å; G205-S207 VanDerWaalsContact O-N 3.1Å
208K97.3Very high97.7Very high28 Ų2826.4 Ų26.412%0.12215%0.147CC..G310 helixtrans-105.8-1.2179.8-52-56.417765.90113.5I138 P140 V203 G205 T206 L210 A211 L212I138-K208 WeakPolarHBondContact O-CE 3.24Å; I138-K208 PolarHBondContact O-NZ 2.92Å; P140-K208 HydrophobicContact CB-CD 4.33Å; V203-K208 HydrophobicContact CG1-CB 3.44Å; V203-K208 VanDerWaalsContact CG1-CB 3.44Å; V203-K208 HydrophobicContact CG1-CG 4.16Å; G205-K208 PolarHBondContact O-N 2.81Å; T206-K208 PolarHBondContact O-N 3.34Å; K208-L210 PolarHBondContact O-N 2.93Å; K208-A211 WeakPolarHBondContact O-CB 3.03Å; K208-A211 PolarHBondContact O-N 3.5Å; K208-A211 VanDerWaalsContact O-N 3.12Å; K208-L212 PolarHBondContact O-N 3.36Å
209A97.8Very high97.6Very high3 Ų328.4 Ų28.43%0.02517%0.172CC..Hα-helixtrans-61.5-42.3-172.300000112.9T206 A211 L212 Q213 A243 M245 E246T206-A209 WeakPolarHBondContact O-CB 3.27Å; T206-A209 PolarHBondContact O-N 3.28Å; A209-A211 PolarHBondContact O-N 3.2Å; A209-L212 PolarHBondContact O-N 2.91Å; A209-Q213 PolarHBondContact O-N 3.35Å; A209-A243 VanDerWaalsContact CA-O 3.22Å; A209-A243 WeakPolarHBondContact CA-O 3.49Å; A209-A243 WeakPolarHBondContact CB-O 3.33Å; A209-M245 HydrophobicContact CB-CB 4.25Å; A209-E246 HydrophobicContact CB-CB 4.1Å; A209-E246 HydrophobicContact CB-CG 3.69Å
210L97.7Very high97.6Very high73 Ų7330.8 Ų30.838%0.38219%0.186SC..Hα-helixtrans-60.4-48174.3-179.261.2000111.3K208 L212 Q213 K214 W224K208-L210 PolarHBondContact O-N 2.93Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 3.26Å; L210-Q213 WeakPolarHBondContact O-CB 3.46Å; L210-Q213 PolarHBondContact O-N 3.43Å; L210-K214 HydrophobicContact CD1-CG 4.34Å; L210-K214 WeakPolarHBondContact O-CG 3.42Å; L210-K214 PolarHBondContact O-N 3.12Å; L210-W224 HydrophobicContact CD2-CH2 3.71Å; L210-W224 HydrophobicContact CD2-CZ2 4.29Å; L210-W224 HydrophobicContact CG-CH2 3.74Å; L210-W224 HydrophobicContact CG-CZ2 4.37Å; L210-W224 HydrophobicContact CG-CZ3 4.35Å
211A97.7Very high97.6Very high0 Ų033.8 Ų33.80%020%0.203CC..Hα-helixtrans-60.3-38.7178.300000112.3I138 G139 K208 A209 K214 A215 W224I138-A211 HydrophobicContact CD1-CB 3.78Å; G139-A211 WeakPolarHBondContact O-CB 3.42Å; K208-A211 WeakPolarHBondContact O-CB 3.03Å; K208-A211 PolarHBondContact O-N 3.5Å; K208-A211 VanDerWaalsContact O-N 3.12Å; A209-A211 PolarHBondContact O-N 3.2Å; A211-K214 PolarHBondContact O-N 2.99Å; A211-A215 WeakPolarHBondContact O-CB 3.08Å; A211-A215 PolarHBondContact O-N 2.87Å; A211-W224 HydrophobicContact CB-CE3 4.39Å; A211-W224 HydrophobicContact CB-CZ3 4.07Å
212L98.1Very high97.5Very high0 Ų038.2 Ų38.20%022%0.223CC..Hα-helixtrans-65.5-45.1175.2-17464.6000111.7L3 V203 K208 A209 L210 K214 A215 I216 F237 V239 A243 T244 L247L3-L212 HydrophobicContact CD1-CD1 4.28Å; V203-L212 HydrophobicContact CG1-CB 4.45Å; V203-L212 HydrophobicContact CG2-CD1 4.31Å; K208-L212 PolarHBondContact O-N 3.36Å; A209-L212 PolarHBondContact O-N 2.91Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 3.26Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 3.28Å; L212-A215 WeakPolarHBondContact O-CB 3.26Å; L212-A215 PolarHBondContact O-N 3.07Å; L212-A215 VanDerWaalsContact O-N 3.09Å; L212-I216 HydrophobicContact CD1-CD1 4.29Å; L212-I216 HydrophobicContact CD1-CG1 3.77Å; L212-I216 HydrophobicContact CG-CG1 4.14Å; L212-I216 VanDerWaalsContact O-CG1 3.32Å; L212-I216 WeakPolarHBondContact O-CG1 3.2Å; L212-I216 PolarHBondContact O-N 2.96Å; L212-F237 HydrophobicContact CD1-CD1 3.97Å; L212-V239 HydrophobicContact CD1-CG1 3.93Å; L212-V239 HydrophobicContact CD2-CB 4.17Å; L212-V239 HydrophobicContact CD2-CG1 3.91Å; L212-V239 HydrophobicContact CD2-CG2 4.16Å; L212-A243 HydrophobicContact CD2-CB 4.18Å; L212-A243 WeakPolarHBondContact CD2-O 3.28Å; L212-T244 HydrophobicContact CD2-CG2 4.32Å; L212-L247 HydrophobicContact CD2-CD1 3.93Å; L212-L247 HydrophobicContact CD2-CG 4.42Å; L212-L247 HydrophobicContact CG-CD1 4.38Å; L212-L247 HydrophobicContact CG-CD2 4.44Å
213Q97.7Very high97.5Very high33 Ų3342.2 Ų42.215%0.15424%0.243CC..Hα-helixtrans-55.6-46.4174.8-177.7-160.563.500111.5A209 L210 A215 I216 E217 E246 L247A209-Q213 PolarHBondContact O-N 3.35Å; L210-Q213 WeakPolarHBondContact O-CB 3.46Å; L210-Q213 PolarHBondContact O-N 3.43Å; Q213-A215 VanDerWaalsContact C-N 3.28Å; Q213-A215 PolarHBondContact O-N 2.89Å; Q213-I216 PolarHBondContact O-N 2.73Å; Q213-E217 HydrophobicContact CG-CB 4.46Å; Q213-E217 HydrophobicContact CG-CG 4.46Å; Q213-E217 WeakPolarHBondContact O-CB 3.49Å; Q213-E217 PolarHBondContact O-N 2.62Å; Q213-E246 HydrophobicContact CB-CB 3.93Å; Q213-E246 HydrophobicContact CG-CB 4.45Å; Q213-E246 WeakPolarHBondContact CG-O 3.31Å; Q213-E246 PolarHBondContact NE2-O 3.18Å; Q213-L247 HydrophobicContact CB-CD2 4.13Å
214K97.8Very high97.4Very high37 Ų3744.4 Ų44.416%0.16125%0.251CS..Hα-helixtrans-63.8-34177.7-61.1-68.3-172.8-169.10112.5L210 A211 L212 E218 W224L210-K214 HydrophobicContact CD1-CG 4.34Å; L210-K214 WeakPolarHBondContact O-CG 3.42Å; L210-K214 PolarHBondContact O-N 3.12Å; A211-K214 PolarHBondContact O-N 2.99Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 3.28Å; K214-E218 HydrophobicContact CD-CB 4.43Å; K214-E218 HydrophobicContact CD-CG 4.08Å; K214-E218 WeakPolarHBondContact CD-OE2 3.15Å; K214-E218 WeakPolarHBondContact CE-OE2 3.41Å; K214-E218 IonicContact NZ-OE1 2.87Å; K214-E218 PolarHBondContact NZ-OE1 2.93Å; K214-E218 IonicContact NZ-OE2 2.66Å; K214-E218 PolarHBondContact NZ-OE2 2.77Å; K214-W224 HydrophobicContact CB-CB 4.04Å; K214-W224 HydrophobicContact CB-CD2 3.55Å; K214-W224 HydrophobicContact CB-CE3 3.75Å; K214-W224 HydrophobicContact CB-CG 3.65Å; K214-W224 HydrophobicContact CB-CZ3 4.45Å; K214-W224 HydrophobicContact CD-CD2 4.15Å; K214-W224 HydrophobicContact CD-CG 4.34Å; K214-W224 HydrophobicContact CD-CZ2 4.21Å; K214-W224 HydrophobicContact CG-CD2 3.46Å; K214-W224 VanDerWaalsContact CG-CD2 3.46Å; K214-W224 VanDerWaalsContact CG-CE2 3.48Å; K214-W224 HydrophobicContact CG-CE3 3.73Å; K214-W224 HydrophobicContact CG-CG 3.94Å; K214-W224 HydrophobicContact CG-CH2 4.08Å; K214-W224 HydrophobicContact CG-CZ2 3.81Å; K214-W224 HydrophobicContact CG-CZ3 4.03Å
215A97.1Very high97.5Very high0 Ų043.3 Ų43.30%024%0.244CC..Hα-helixtrans-70.9-37.6176.600000113.4A211 L212 Q213 V226 Q230 F237A211-A215 WeakPolarHBondContact O-CB 3.08Å; A211-A215 PolarHBondContact O-N 2.87Å; L212-A215 WeakPolarHBondContact O-CB 3.26Å; L212-A215 PolarHBondContact O-N 3.07Å; L212-A215 VanDerWaalsContact O-N 3.09Å; Q213-A215 VanDerWaalsContact C-N 3.28Å; Q213-A215 PolarHBondContact O-N 2.89Å; A215-V226 HydrophobicContact CB-CB 4.3Å; A215-V226 HydrophobicContact CB-CG1 3.71Å; A215-V226 HydrophobicContact CB-CG2 3.68Å; A215-Q230 PolarHBondContact O-NE2 3.27Å; A215-F237 HydrophobicContact CB-CE1 4.02Å; A215-F237 HydrophobicContact CB-CZ 4.17Å
216I96.8Very high97.5Very high27 Ų2742.5 Ų42.514%0.13824%0.235CC..Hα-helixtrans-99.9-41.5-168.9-57.6-57.9000113M1 L3 L212 Q213 F237 L247 F255M1-I216 HydrophobicContact CE-CD1 4.49Å; M1-I216 HydrophobicContact SD-CD1 3.37Å; M1-I216 WeakPolarHBondContact SD-CD1 3.27Å; L3-I216 HydrophobicContact CD1-CD1 4.4Å; L212-I216 HydrophobicContact CD1-CD1 4.29Å; L212-I216 HydrophobicContact CD1-CG1 3.77Å; L212-I216 HydrophobicContact CG-CG1 4.14Å; L212-I216 VanDerWaalsContact O-CG1 3.32Å; L212-I216 WeakPolarHBondContact O-CG1 3.2Å; L212-I216 PolarHBondContact O-N 2.96Å; Q213-I216 PolarHBondContact O-N 2.73Å; I216-F237 HydrophobicContact CD1-CD1 4.46Å; I216-F237 HydrophobicContact CD1-CD2 4.09Å; I216-F237 HydrophobicContact CD1-CE2 4.33Å; I216-F237 HydrophobicContact CD1-CG 4.16Å; I216-L247 HydrophobicContact CB-CD2 4.3Å; I216-F255 HydrophobicContact CG2-CE2 4.13Å; I216-F255 HydrophobicContact CG2-CZ 4.34Å
217E96Very high97.5Very high46 Ų4638.2 Ų38.222%0.21521%0.209CC..THydrogen-bonded Turntrans-105.4-24-168.2-56-163.416500114.6Q213 L247 R248 N251Q213-E217 HydrophobicContact CG-CB 4.46Å; Q213-E217 HydrophobicContact CG-CG 4.46Å; Q213-E217 WeakPolarHBondContact O-CB 3.49Å; Q213-E217 PolarHBondContact O-N 2.62Å; E217-L247 HydrophobicContact CG-CD2 4.02Å; E217-R248 PolarHBondContact OE1-N 2.66Å; E217-R248 WeakPolarHBondContact OE2-CD 3.37Å; E217-R248 WeakPolarHBondContact OE2-CG 3.16Å; E217-R248 IonicContact OE2-NE 3.2Å; E217-R248 PolarHBondContact OE2-NE 2.97Å; E217-N251 PolarHBondContact OE1-ND2 2.62Å
218E96.5Very high97.6Very high78 Ų7834.6 Ų34.636%0.36418%0.184SC..SBendtrans-98.9167.4-176.3-64-160.7-173.500113.1K214 Q230K214-E218 HydrophobicContact CD-CB 4.43Å; K214-E218 HydrophobicContact CD-CG 4.08Å; K214-E218 WeakPolarHBondContact CD-OE2 3.15Å; K214-E218 WeakPolarHBondContact CE-OE2 3.41Å; K214-E218 IonicContact NZ-OE1 2.87Å; K214-E218 PolarHBondContact NZ-OE1 2.93Å; K214-E218 IonicContact NZ-OE2 2.66Å; K214-E218 PolarHBondContact NZ-OE2 2.77Å; E218-Q230 PolarHBondContact O-NE2 2.66Å
219G97.6Very high97.6Very high58 Ų5833.3 Ų33.360%0.59818%0.179SC*.PPolyproline II helixtrans-70.8152.7178.100000112.7N221G219-N221 PolarHBondContact O-N 3.47Å
220V98.4Very high97.6Very high50 Ų5036.6 Ų36.630%0.30319%0.194SC..PPolyproline II helixtrans-56.6125.6177.4-179.30000111.3L153 Q230L153-V220 HydrophobicContact CD1-CG1 3.45Å; L153-V220 VanDerWaalsContact CD1-CG1 3.45Å; V220-Q230 HydrophobicContact CG2-CB 4Å; V220-Q230 HydrophobicContact CG2-CG 4.48Å
221N97.7Very high97.6Very high64 Ų6439.7 Ų39.734%0.34221%0.206SC..BIsolated β-bridgetrans-151.3133.6-171.6-174.5-23000111.5G219 M223 W224 S227G219-N221 PolarHBondContact O-N 3.47Å; N221-M223 PolarHBondContact O-N 2.55Å; N221-M223 WeakPolarHBondContact OD1-CB 3.41Å; N221-M223 PolarHBondContact OD1-N 2.8Å; N221-W224 CarbonylContact O-C 3.57Å; N221-W224 PolarHBondContact O-N 3.43Å; N221-S227 PolarHBondContact N-OG 3.5Å; N221-S227 PolarHBondContact O-OG 3.01Å; N221-S227 VanDerWaalsContact O-OG 3.13Å
222H97.8Very high97.6Very high93 Ų9340.5 Ų40.543%0.43121%0.209SC..THydrogen-bonded Turntrans-65.9-14.4177.376.2155.6000115.2G150 S151 L153 W224 T225G150-H222 PolarHBondContact N-O 3.43Å; G150-H222 PolarHBondContact O-ND1 2.67Å; S151-H222 WeakPolarHBondContact O-CB 3.31Å; L153-H222 HydrophobicContact CD2-CB 4.17Å; L153-H222 HydrophobicContact CG-CB 4.16Å; H222-W224 VanDerWaalsContact C-N 3.27Å; H222-T225 WeakPolarHBondContact O-CG2 3.47Å
223M98Very high97.6Very high86 Ų8650.1 Ų50.142%0.42425%0.251SS..THydrogen-bonded Turntrans-75.3-19.9171.4-64.3-53.9-66.400112.5P149 N221P149-M223 HydrophobicContact CB-CE 3.71Å; P149-M223 WeakPolarHBondContact CB-O 3.32Å; P149-M223 HydrophobicContact CB-SD 4.26Å; N221-M223 PolarHBondContact O-N 2.55Å; N221-M223 WeakPolarHBondContact OD1-CB 3.41Å; N221-M223 PolarHBondContact OD1-N 2.8Å
224W97.8Very high97.6Very high46 Ų4654.5 Ų54.517%0.17427%0.27CS..BIsolated β-bridgetrans-128.676.5176.2-61.396.8000107.4D141 L210 A211 K214 N221 H222 V226 S227D141-W224 VanDerWaalsContact C-CE3 3.45Å; D141-W224 WeakPolarHBondContact O-CZ3 3.45Å; L210-W224 HydrophobicContact CD2-CH2 3.71Å; L210-W224 HydrophobicContact CD2-CZ2 4.29Å; L210-W224 HydrophobicContact CG-CH2 3.74Å; L210-W224 HydrophobicContact CG-CZ2 4.37Å; L210-W224 HydrophobicContact CG-CZ3 4.35Å; A211-W224 HydrophobicContact CB-CE3 4.39Å; A211-W224 HydrophobicContact CB-CZ3 4.07Å; K214-W224 HydrophobicContact CB-CB 4.04Å; K214-W224 HydrophobicContact CB-CD2 3.55Å; K214-W224 HydrophobicContact CB-CE3 3.75Å; K214-W224 HydrophobicContact CB-CG 3.65Å; K214-W224 HydrophobicContact CB-CZ3 4.45Å; K214-W224 HydrophobicContact CD-CD2 4.15Å; K214-W224 HydrophobicContact CD-CG 4.34Å; K214-W224 HydrophobicContact CD-CZ2 4.21Å; K214-W224 HydrophobicContact CG-CD2 3.46Å; K214-W224 VanDerWaalsContact CG-CD2 3.46Å; K214-W224 VanDerWaalsContact CG-CE2 3.48Å; K214-W224 HydrophobicContact CG-CE3 3.73Å; K214-W224 HydrophobicContact CG-CG 3.94Å; K214-W224 HydrophobicContact CG-CH2 4.08Å; K214-W224 HydrophobicContact CG-CZ2 3.81Å; K214-W224 HydrophobicContact CG-CZ3 4.03Å; N221-W224 CarbonylContact O-C 3.57Å; N221-W224 PolarHBondContact O-N 3.43Å; H222-W224 VanDerWaalsContact C-N 3.27Å; W224-V226 PolarHBondContact O-N 3.19Å; W224-S227 VanDerWaalsContact O-CB 3.24Å; W224-S227 WeakPolarHBondContact O-CB 3.22Å; W224-S227 PolarHBondContact O-N 2.95Å; W224-S227 PolarHBondContact O-OG 3.18Å
225T98.2Very high97.6Very high1 Ų152.9 Ų52.91%0.00626%0.263CS..G310 helixtrans-57.8-26.3-168.655.90000113G142 H143 N147 L153 V190 H222 S227 A228G142-T225 PolarHBondContact O-OG1 2.98Å; H143-T225 WeakPolarHBondContact CA-OG1 3.36Å; N147-T225 HydrophobicContact CB-CG2 4.47Å; N147-T225 VanDerWaalsContact O-CG2 3.32Å; N147-T225 WeakPolarHBondContact O-CG2 3.36Å; N147-T225 PolarHBondContact O-OG1 2.88Å; L153-T225 HydrophobicContact CD2-CG2 4.46Å; V190-T225 HydrophobicContact CG2-CG2 4.36Å; H222-T225 WeakPolarHBondContact O-CG2 3.47Å; T225-S227 PolarHBondContact O-N 3.32Å; T225-A228 VanDerWaalsContact O-CB 3.22Å; T225-A228 WeakPolarHBondContact O-CB 3.16Å; T225-A228 PolarHBondContact O-N 3.33Å; T225-A228 VanDerWaalsContact O-N 3.08Å
226V97.8Very high97.7Very high0 Ų053 Ų530%026%0.264CS..G310 helixtrans-53.2-30.9168.265.60000115.5I138 G142 I144 A215 W224 A228 F229 F237I138-V226 HydrophobicContact CG2-CB 4.08Å; I138-V226 HydrophobicContact CG2-CG2 3.7Å; G142-V226 WeakPolarHBondContact O-CB 3.13Å; G142-V226 WeakPolarHBondContact O-CG1 3.41Å; G142-V226 PolarHBondContact O-N 3.5Å; I144-V226 HydrophobicContact CD1-CB 4.2Å; I144-V226 HydrophobicContact CG1-CB 4.33Å; A215-V226 HydrophobicContact CB-CB 4.3Å; A215-V226 HydrophobicContact CB-CG1 3.71Å; A215-V226 HydrophobicContact CB-CG2 3.68Å; W224-V226 PolarHBondContact O-N 3.19Å; V226-A228 PolarHBondContact O-N 2.98Å; V226-A228 VanDerWaalsContact O-N 3.12Å; V226-F229 HydrophobicContact CG2-CD2 4.07Å; V226-F229 HydrophobicContact CG2-CE2 4.44Å; V226-F229 WeakPolarHBondContact O-CD2 3.41Å; V226-F229 PolarHBondContact O-N 2.91Å; V226-F229 VanDerWaalsContact O-N 3.13Å; V226-F237 HydrophobicContact CG2-CE1 3.63Å; V226-F237 HydrophobicContact CG2-CZ 3.83Å
227S98.2Very high97.8Very high0 Ų051.8 Ų51.80%026%0.257CS..G310 helixtrans-61.6-20.517767.40000112.9N221 W224 T225 F229 Q230N221-S227 PolarHBondContact N-OG 3.5Å; N221-S227 PolarHBondContact O-OG 3.01Å; N221-S227 VanDerWaalsContact O-OG 3.13Å; W224-S227 VanDerWaalsContact O-CB 3.24Å; W224-S227 WeakPolarHBondContact O-CB 3.22Å; W224-S227 PolarHBondContact O-N 2.95Å; W224-S227 PolarHBondContact O-OG 3.18Å; T225-S227 PolarHBondContact O-N 3.32Å; S227-F229 PolarHBondContact O-N 2.91Å; S227-F229 VanDerWaalsContact O-N 3.13Å; S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 WeakPolarHBondContact O-CG 3.44Å; S227-Q230 PolarHBondContact O-N 2.65Å; S227-Q230 VanDerWaalsContact O-N 3.08Å
228A98.3Very high97.9Very high4 Ų449.6 Ų49.63%0.03325%0.247CC..G310 helixtrans-56.2-29.7174.400000113L153 V190 M194 T225 V226 Q230 H231L153-A228 HydrophobicContact CD2-CB 4.22Å; V190-A228 HydrophobicContact CG1-CB 3.56Å; M194-A228 VanDerWaalsContact CE-O 3.3Å; M194-A228 WeakPolarHBondContact CE-O 3.41Å; M194-A228 HydrophobicContact SD-CB 4.41Å; T225-A228 VanDerWaalsContact O-CB 3.22Å; T225-A228 WeakPolarHBondContact O-CB 3.16Å; T225-A228 PolarHBondContact O-N 3.33Å; T225-A228 VanDerWaalsContact O-N 3.08Å; V226-A228 PolarHBondContact O-N 2.98Å; V226-A228 VanDerWaalsContact O-N 3.12Å; A228-Q230 PolarHBondContact O-N 2.95Å; A228-Q230 VanDerWaalsContact O-N 3.13Å; A228-H231 WeakPolarHBondContact O-CB 3.29Å; A228-H231 PolarHBondContact O-N 2.91Å
229F97.2Very high98Very high1 Ų145.9 Ų45.90%0.00423%0.23CC..G310 helixtrans-68.8-8.5-179.8-62.4-41.3000114.5I144 V193 M194 V199 I201 V226 S227 H231 H232 S235 F237I144-F229 HydrophobicContact CD1-CD2 4.02Å; I144-F229 HydrophobicContact CD1-CE1 4.24Å; I144-F229 HydrophobicContact CD1-CE2 3.15Å; I144-F229 HydrophobicContact CD1-CZ 3.27Å; I144-F229 HydrophobicContact CG1-CE2 3.76Å; I144-F229 HydrophobicContact CG1-CZ 4.06Å; I144-F229 HydrophobicContact CG2-CZ 4.35Å; V193-F229 HydrophobicContact CB-CE1 4.41Å; V193-F229 HydrophobicContact CG1-CE1 3.78Å; V193-F229 HydrophobicContact CG1-CZ 3.78Å; M194-F229 HydrophobicContact CG-CD1 4.47Å; M194-F229 HydrophobicContact CG-CE1 4.39Å; M194-F229 HydrophobicContact SD-CD1 3.45Å; M194-F229 WeakPolarHBondContact SD-CD1 3.42Å; M194-F229 HydrophobicContact SD-CE1 3.92Å; V199-F229 HydrophobicContact CB-CE1 4.5Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CE1 3.78Å; V199-F229 HydrophobicContact CG1-CE2 4.17Å; V199-F229 HydrophobicContact CG1-CZ 3.78Å; V199-F229 HydrophobicContact CG2-CE1 4.35Å; I201-F229 HydrophobicContact CD1-CD2 4.04Å; I201-F229 HydrophobicContact CD1-CE2 3.27Å; I201-F229 HydrophobicContact CD1-CZ 3.82Å; I201-F229 HydrophobicContact CG1-CD2 3.69Å; I201-F229 HydrophobicContact CG1-CE2 3.47Å; I201-F229 VanDerWaalsContact CG1-CE2 3.47Å; I201-F229 HydrophobicContact CG1-CZ 4.38Å; V226-F229 HydrophobicContact CG2-CD2 4.07Å; V226-F229 HydrophobicContact CG2-CE2 4.44Å; V226-F229 WeakPolarHBondContact O-CD2 3.41Å; V226-F229 PolarHBondContact O-N 2.91Å; V226-F229 VanDerWaalsContact O-N 3.13Å; S227-F229 PolarHBondContact O-N 2.91Å; S227-F229 VanDerWaalsContact O-N 3.13Å; F229-H231 PolarHBondContact O-N 3.12Å; F229-H232 WeakPolarHBondContact O-CB 3.42Å; F229-H232 PolarHBondContact O-N 2.81Å; F229-S235 PolarHBondContact O-OG 2.85Å; F229-F237 HydrophobicContact CB-CE2 4.13Å; F229-F237 HydrophobicContact CB-CZ 4.1Å; F229-F237 AromaticContact CD2-CZ 3.95Å; F229-F237 HydrophobicContact CD2-CZ 3.95Å
230Q97.6Very high98Very high72 Ų7243.1 Ų43.134%0.33620%0.202SC..G310 helixtrans-62.9-29.4165.3-64.617923.500112M1 A215 E218 V220 S227 A228 H232M1-Q230 HydrophobicContact CE-CB 4.26Å; M1-Q230 HydrophobicContact CE-CG 3.72Å; A215-Q230 PolarHBondContact O-NE2 3.27Å; E218-Q230 PolarHBondContact O-NE2 2.66Å; V220-Q230 HydrophobicContact CG2-CB 4Å; V220-Q230 HydrophobicContact CG2-CG 4.48Å; S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 WeakPolarHBondContact O-CG 3.44Å; S227-Q230 PolarHBondContact O-N 2.65Å; S227-Q230 VanDerWaalsContact O-N 3.08Å; A228-Q230 PolarHBondContact O-N 2.95Å; A228-Q230 VanDerWaalsContact O-N 3.13Å; Q230-H232 VanDerWaalsContact C-N 3.35Å
231H97.6Very high97.9Very high138 Ų13846 Ų4664%0.63921%0.211SC*.G310 helixtrans-84.7-8.1174.5-68.1-48.6000113.6M194 A228 F229M194-H231 HydrophobicContact CE-CB 3.9Å; A228-H231 WeakPolarHBondContact O-CB 3.29Å; A228-H231 PolarHBondContact O-N 2.91Å; F229-H231 PolarHBondContact O-N 3.12Å
232H98.4Very high97.9Very high16 Ų1647 Ų477%0.07422%0.217CC..  trans-77.2133.1-176.9-163-99.1000111.1M194 A196 F229 Q230 K234M194-H232 HydrophobicContact CE-CB 3.9Å; M194-H232 PolarHBondContact O-CD2 2.92Å; M194-H232 VanDerWaalsContact O-CD2 3.23Å; M194-H232 PolarHBondContact O-NE2 3.38Å; M194-H232 HydrophobicContact SD-CB 3.81Å; A196-H232 PolarHBondContact O-CE1 3.01Å; A196-H232 VanDerWaalsContact O-CE1 3.32Å; A196-H232 PolarHBondContact O-NE2 2.98Å; F229-H232 WeakPolarHBondContact O-CB 3.42Å; F229-H232 PolarHBondContact O-N 2.81Å; Q230-H232 VanDerWaalsContact C-N 3.35Å; H232-K234 PolarHBondContact CE1-O 3.28Å; H232-K234 PolarHBondContact ND1-N 3.1Å; H232-K234 VanDerWaalsContact ND1-N 3.18Å; H232-K234 PolarHBondContact ND1-O 3.19Å; H232-K234 PolarHBondContact O-N 2.99Å
233K97.3Very high97.9Very high203 Ų20342.6 Ų42.688%0.88320%0.196SC*.THydrogen-bonded Turntrans-62.8-29.7-177.3-65.3179.5-177.7173.40112.8
234K98.2Very high97.9Very high125 Ų12539.1 Ų39.154%0.54318%0.18SC..THydrogen-bonded Turntrans-142.476.3-178.8-66-175.8-178.6175.70111.1E198 V199 H232E198-K234 WeakPolarHBondContact CA-O 3.34Å; E198-K234 HydrophobicContact CB-CB 4.34Å; E198-K234 HydrophobicContact CG-CB 4.12Å; V199-K234 PolarHBondContact N-O 3.09Å; H232-K234 PolarHBondContact CE1-O 3.28Å; H232-K234 PolarHBondContact ND1-N 3.1Å; H232-K234 VanDerWaalsContact ND1-N 3.18Å; H232-K234 PolarHBondContact ND1-O 3.19Å; H232-K234 PolarHBondContact O-N 2.99Å
235S98.1Very high97.7Very high2 Ų242.7 Ų42.71%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-101.9138.3171.747.30000111M1 R2 V199 F229M1-S235 CarbonylContact C-O 3.56Å; M1-S235 WeakPolarHBondContact CA-O 3.31Å; R2-S235 PolarHBondContact N-O 3.04Å; V199-S235 CarbonylContact O-C 3.54Å; V199-S235 WeakPolarHBondContact O-CA 3.47Å; F229-S235 PolarHBondContact O-OG 2.85Å
236I98.3Very high97.6Very high4 Ų447.4 Ų47.42%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-127129.1172.8-54-178.8000108.1R2 W15 Y19 E198 V199 M200 I201 V238R2-I236 HydrophobicContact CB-CG1 4.27Å; R2-I236 HydrophobicContact CB-CG2 4.28Å; R2-I236 CarbonylContact O-C 3.56Å; R2-I236 WeakPolarHBondContact O-CA 3.33Å; W15-I236 HydrophobicContact CH2-CG2 4.21Å; W15-I236 HydrophobicContact CZ3-CG2 4.41Å; Y19-I236 HydrophobicContact CE1-CD1 3.75Å; Y19-I236 HydrophobicContact CE2-CD1 4.32Å; Y19-I236 VanDerWaalsContact OH-CD1 3.25Å; Y19-I236 WeakPolarHBondContact OH-CD1 3.39Å; E198-I236 WeakPolarHBondContact OE1-CD1 3.32Å; V199-I236 PolarHBondContact O-N 3.37Å; M200-I236 CarbonylContact C-O 3.51Å; M200-I236 WeakPolarHBondContact CA-O 3.5Å; I201-I236 PolarHBondContact N-O 3.3Å; I236-V238 HydrophobicContact CG2-CG2 3.97Å
237F98.5Very high97.5Very high0 Ų048.1 Ų48.10%023%0.226CC..EExtended strand (participates in β ladder)trans-104.6126.1167.8-73-103.4000107.8M1 R2 L3 L4 I201 V203 L212 A215 I216 V226 F229 V239M1-F237 HydrophobicContact CE-CD2 4.44Å; M1-F237 HydrophobicContact CE-CE2 3.78Å; M1-F237 HydrophobicContact CG-CD2 3.91Å; M1-F237 HydrophobicContact CG-CE2 4.13Å; M1-F237 HydrophobicContact SD-CD2 3.84Å; M1-F237 HydrophobicContact SD-CE2 3.77Å; R2-F237 PolarHBondContact O-N 3.01Å; L3-F237 CarbonylContact C-O 3.54Å; L3-F237 WeakPolarHBondContact CA-O 3.33Å; L3-F237 HydrophobicContact CD1-CB 3.54Å; L4-F237 PolarHBondContact N-O 3.47Å; I201-F237 HydrophobicContact CB-CD1 3.84Å; I201-F237 HydrophobicContact CB-CE1 3.92Å; I201-F237 HydrophobicContact CB-CG 4.33Å; I201-F237 HydrophobicContact CB-CZ 4.47Å; I201-F237 HydrophobicContact CG1-CE1 4.22Å; I201-F237 HydrophobicContact CG1-CZ 4.32Å; I201-F237 HydrophobicContact CG2-CD1 3.92Å; I201-F237 HydrophobicContact CG2-CE1 3.86Å; I201-F237 CarbonylContact O-C 3.21Å; I201-F237 WeakPolarHBondContact O-CA 3.3Å; V203-F237 HydrophobicContact CG2-CD1 4.2Å; L212-F237 HydrophobicContact CD1-CD1 3.97Å; A215-F237 HydrophobicContact CB-CE1 4.02Å; A215-F237 HydrophobicContact CB-CZ 4.17Å; I216-F237 HydrophobicContact CD1-CD1 4.46Å; I216-F237 HydrophobicContact CD1-CD2 4.09Å; I216-F237 HydrophobicContact CD1-CE2 4.33Å; I216-F237 HydrophobicContact CD1-CG 4.16Å; V226-F237 HydrophobicContact CG2-CE1 3.63Å; V226-F237 HydrophobicContact CG2-CZ 3.83Å; F229-F237 HydrophobicContact CB-CE2 4.13Å; F229-F237 HydrophobicContact CB-CZ 4.1Å; F229-F237 AromaticContact CD2-CZ 3.95Å; F229-F237 HydrophobicContact CD2-CZ 3.95Å; F237-V239 HydrophobicContact CB-CG1 4.15Å
238V98.6Very high97.1Very high0 Ų055.4 Ų55.40%025%0.254CS..EExtended strand (participates in β ladder)trans-114.9112.7176.4-170.60000106.3L4 L6 V12 W15 M200 I201 L202 V203 I236L4-V238 HydrophobicContact CD2-CG1 4.28Å; L6-V238 HydrophobicContact CD1-CG1 3.72Å; V12-V238 HydrophobicContact CB-CG1 4.33Å; V12-V238 HydrophobicContact CG1-CB 4.39Å; V12-V238 HydrophobicContact CG1-CG1 3.91Å; V12-V238 HydrophobicContact CG2-CG1 4.3Å; W15-V238 HydrophobicContact CD2-CG1 4.4Å; W15-V238 HydrophobicContact CE3-CB 4.37Å; W15-V238 HydrophobicContact CE3-CG1 3.89Å; W15-V238 HydrophobicContact CE3-CG2 3.51Å; W15-V238 HydrophobicContact CH2-CG2 4.32Å; W15-V238 HydrophobicContact CZ3-CG2 3.36Å; M200-V238 HydrophobicContact CG-CG2 3.98Å; M200-V238 HydrophobicContact SD-CG2 4.08Å; I201-V238 PolarHBondContact O-N 2.93Å; L202-V238 WeakPolarHBondContact CA-O 3.48Å; L202-V238 HydrophobicContact CD2-CB 3.96Å; L202-V238 HydrophobicContact CD2-CG2 4.25Å; V203-V238 PolarHBondContact N-O 3.01Å; I236-V238 HydrophobicContact CG2-CG2 3.97Å
239V98.5Very high96.1Very high0 Ų061.3 Ų61.30%029%0.289CS..EExtended strand (participates in β ladder)trans-130.3150.5-166.4-45.70000111.5L3 L4 I5 L6 V12 V203 L212 F237 A243 T244L3-V239 HydrophobicContact CD1-CB 4.48Å; L3-V239 HydrophobicContact CD1-CG1 3.66Å; L3-V239 HydrophobicContact CD1-CG2 3.89Å; L4-V239 PolarHBondContact O-N 3.26Å; I5-V239 HydrophobicContact CB-CG2 4.29Å; I5-V239 HydrophobicContact CG1-CG2 3.87Å; I5-V239 HydrophobicContact CG2-CG2 4.44Å; L6-V239 PolarHBondContact N-O 2.95Å; V12-V239 VanDerWaalsContact CG2-C 3.47Å; V203-V239 HydrophobicContact CB-CB 4.31Å; V203-V239 HydrophobicContact CB-CG1 3.78Å; V203-V239 HydrophobicContact CG2-CG1 4.05Å; V203-V239 WeakPolarHBondContact O-CA 3.22Å; L212-V239 HydrophobicContact CD1-CG1 3.93Å; L212-V239 HydrophobicContact CD2-CB 4.17Å; L212-V239 HydrophobicContact CD2-CG1 3.91Å; L212-V239 HydrophobicContact CD2-CG2 4.16Å; F237-V239 HydrophobicContact CB-CG1 4.15Å; V239-A243 HydrophobicContact CB-CB 4.32Å; V239-T244 HydrophobicContact CG2-CG2 3.76Å
240D98.1Very high95Very high1 Ų167.4 Ų67.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-85.6166167.165.30.6000111.1L6 P9 V12 V203 T204 G205 D242 A243L6-D240 CarbonylContact O-C 3.39Å; L6-D240 VanDerWaalsContact O-CA 3.27Å; L6-D240 WeakPolarHBondContact O-CA 3.37Å; P9-D240 WeakPolarHBondContact CG-OD2 3.47Å; V12-D240 HydrophobicContact CG2-CB 4.17Å; V203-D240 PolarHBondContact O-N 3.28Å; T204-D240 WeakPolarHBondContact CA-OD1 3.48Å; T204-D240 VanDerWaalsContact CA-OD2 3.31Å; T204-D240 WeakPolarHBondContact CA-OD2 3.22Å; T204-D240 WeakPolarHBondContact CB-OD2 3.17Å; G205-D240 VanDerWaalsContact N-CG 3.27Å; G205-D240 PolarHBondContact N-OD1 2.82Å; G205-D240 PolarHBondContact N-OD2 3.39Å; D240-D242 VanDerWaalsContact C-N 3.27Å; D240-D242 PolarHBondContact O-N 3.37Å; D240-A243 PolarHBondContact O-N 3.43Å; D240-A243 WeakPolarHBondContact OD1-CB 3.33Å; D240-A243 PolarHBondContact OD1-N 3.15Å
241E96.6Very high93.5Very high109 Ų10965.4 Ų65.451%0.50931%0.308SS..SBendtrans-57.9-41178.8-72.2-167.5166.900112I5 L6 A243 T244I5-E241 HydrophobicContact CG2-CG 4.29Å; L6-E241 PolarHBondContact O-N 3.34Å; E241-A243 VanDerWaalsContact C-N 3.28Å; E241-A243 PolarHBondContact O-N 3.06Å; E241-T244 WeakPolarHBondContact O-CB 3.49Å; E241-T244 PolarHBondContact O-N 3.25Å; E241-T244 PolarHBondContact O-OG1 3.13Å
242D97.3Very high91.6Very high86 Ų8660.6 Ų60.646%0.4629%0.289SS..G310 helixtrans-57.9-37179.8-87.9-3.2000112.9T206 D240 T244 M245T206-D242 WeakPolarHBondContact CA-O 3.38Å; T206-D242 HydrophobicContact CG2-CB 3.83Å; D240-D242 VanDerWaalsContact C-N 3.27Å; D240-D242 PolarHBondContact O-N 3.37Å; D242-T244 PolarHBondContact O-N 3.45Å; D242-M245 VanDerWaalsContact O-CG 3.31Å; D242-M245 WeakPolarHBondContact O-CG 3.28Å
243A97.7Very high89.8Confident0 Ų064.7 Ų64.70%032%0.319CS..G310 helixtrans-69.5-13175.800000113.1V203 A209 L212 V239 D240 E241V203-A243 HydrophobicContact CB-CB 4.41Å; V203-A243 HydrophobicContact CG1-CB 3.9Å; A209-A243 VanDerWaalsContact CA-O 3.22Å; A209-A243 WeakPolarHBondContact CA-O 3.49Å; A209-A243 WeakPolarHBondContact CB-O 3.33Å; L212-A243 HydrophobicContact CD2-CB 4.18Å; L212-A243 WeakPolarHBondContact CD2-O 3.28Å; V239-A243 HydrophobicContact CB-CB 4.32Å; D240-A243 PolarHBondContact O-N 3.43Å; D240-A243 WeakPolarHBondContact OD1-CB 3.33Å; D240-A243 PolarHBondContact OD1-N 3.15Å; E241-A243 VanDerWaalsContact C-N 3.28Å; E241-A243 PolarHBondContact O-N 3.06Å
244T96.8Very high88.1Confident13 Ų1361 Ų618%0.0831%0.308CS..G310 helixtrans-91.6-0.3-178.372.50000114.5I5 L212 V239 E241 D242 E246 L247I5-T244 HydrophobicContact CD1-CG2 4.07Å; I5-T244 HydrophobicContact CG1-CG2 4.04Å; I5-T244 HydrophobicContact CG2-CG2 3.92Å; L212-T244 HydrophobicContact CD2-CG2 4.32Å; V239-T244 HydrophobicContact CG2-CG2 3.76Å; E241-T244 WeakPolarHBondContact O-CB 3.49Å; E241-T244 PolarHBondContact O-N 3.25Å; E241-T244 PolarHBondContact O-OG1 3.13Å; D242-T244 PolarHBondContact O-N 3.45Å; T244-E246 PolarHBondContact O-N 3.3Å; T244-E246 VanDerWaalsContact O-N 3.07Å; T244-L247 HydrophobicContact CG2-CD1 4.09Å; T244-L247 VanDerWaalsContact O-CB 3.31Å; T244-L247 WeakPolarHBondContact O-CB 3.47Å; T244-L247 PolarHBondContact O-N 2.88Å
245M95.2Very high86.4Confident122 Ų12261.4 Ų61.460%0.60131%0.31SS*.THydrogen-bonded Turntrans-59.6-24.3-171.7-70.4-65.196.100116T206 A209 D242T206-M245 HydrophobicContact CG2-CG 4.4Å; A209-M245 HydrophobicContact CB-CB 4.25Å; D242-M245 VanDerWaalsContact O-CG 3.31Å; D242-M245 WeakPolarHBondContact O-CG 3.28Å
246E95.9Very high85.8Confident99 Ų9964.4 Ų64.446%0.46333%0.325SS..THydrogen-bonded Turntrans-96.2-4.8176.4-66-71175.400112.7A209 Q213 T244A209-E246 HydrophobicContact CB-CB 4.1Å; A209-E246 HydrophobicContact CB-CG 3.69Å; Q213-E246 HydrophobicContact CB-CB 3.93Å; Q213-E246 HydrophobicContact CG-CB 4.45Å; Q213-E246 WeakPolarHBondContact CG-O 3.31Å; Q213-E246 PolarHBondContact NE2-O 3.18Å; T244-E246 PolarHBondContact O-N 3.3Å; T244-E246 VanDerWaalsContact O-N 3.07Å
247L95.2Very high85.1Confident16 Ų1667.5 Ų67.58%0.08434%0.341CS..SBendtrans-75.7146.3175.6-60.7-176.2000110.8L3 L212 Q213 I216 E217 T244 T249L3-L247 HydrophobicContact CD2-CD1 3.99Å; L212-L247 HydrophobicContact CD2-CD1 3.93Å; L212-L247 HydrophobicContact CD2-CG 4.42Å; L212-L247 HydrophobicContact CG-CD1 4.38Å; L212-L247 HydrophobicContact CG-CD2 4.44Å; Q213-L247 HydrophobicContact CB-CD2 4.13Å; I216-L247 HydrophobicContact CB-CD2 4.3Å; E217-L247 HydrophobicContact CG-CD2 4.02Å; T244-L247 HydrophobicContact CG2-CD1 4.09Å; T244-L247 VanDerWaalsContact O-CB 3.31Å; T244-L247 WeakPolarHBondContact O-CB 3.47Å; T244-L247 PolarHBondContact O-N 2.88Å; L247-T249 PolarHBondContact O-N 3.1Å
248R89.1Confident84.4Confident153 Ų15371.3 Ų71.358%0.57736%0.36SS*.  trans-66.2135.7171.4-63.7170.6-165.7-160.3-2.1108.7E217 K250 N251 C252E217-R248 PolarHBondContact OE1-N 2.66Å; E217-R248 WeakPolarHBondContact OE2-CD 3.37Å; E217-R248 WeakPolarHBondContact OE2-CG 3.16Å; E217-R248 IonicContact OE2-NE 3.2Å; E217-R248 PolarHBondContact OE2-NE 2.97Å; R248-K250 HydrophobicContact CB-CG 4.13Å; R248-K250 PolarHBondContact O-N 2.87Å; R248-N251 WeakPolarHBondContact O-CA 3.44Å; R248-N251 WeakPolarHBondContact O-CB 3.33Å; R248-N251 PolarHBondContact O-N 3.36Å; R248-C252 PolarHBondContact O-N 3.36Å
249T78.1Confident83.6Confident128 Ų12875.5 Ų75.579%0.78538%0.381SS*.Hα-helixtrans-52.7-37.3-177.3-200000113.2L247 N251 C252 S253L247-T249 PolarHBondContact O-N 3.1Å; T249-N251 PolarHBondContact O-N 3.09Å; T249-C252 PolarHBondContact O-N 3.01Å; T249-S253 PolarHBondContact O-N 3.14Å
250K73.1Confident82.6Confident129 Ų12980.2 Ų80.256%0.56141%0.405SS*.Hα-helixtrans-63.6-25.517767.7175.2-173.4172.90113.9R248 S253 L254R248-K250 HydrophobicContact CB-CG 4.13Å; R248-K250 PolarHBondContact O-N 2.87Å; K250-S253 PolarHBondContact O-OG 3.04Å; K250-L254 VanDerWaalsContact O-CD1 3.25Å; K250-L254 WeakPolarHBondContact O-CD1 3.43Å; K250-L254 VanDerWaalsContact O-CG 3.26Å; K250-L254 WeakPolarHBondContact O-CG 3.5Å
251N67.5Low81.6Confident30 Ų3085.5 Ų85.516%0.1643%0.432CS..Hα-helixtrans-84.3-35.9-179.5-69.6-16.6000110.4E217 R248 T249 S253 L254 F255E217-N251 PolarHBondContact OE1-ND2 2.62Å; R248-N251 WeakPolarHBondContact O-CA 3.44Å; R248-N251 WeakPolarHBondContact O-CB 3.33Å; R248-N251 PolarHBondContact O-N 3.36Å; T249-N251 PolarHBondContact O-N 3.09Å; N251-S253 PolarHBondContact O-N 2.86Å; N251-L254 PolarHBondContact O-N 3.43Å; N251-L254 VanDerWaalsContact O-N 3.09Å; N251-F255 HydrophobicContact CB-CE2 4.4Å; N251-F255 WeakPolarHBondContact O-CD2 3.43Å; N251-F255 WeakPolarHBondContact O-CE2 3.48Å
252C57.9Low80.5Confident37 Ų3783.8 Ų83.825%0.2543%0.426CS..Hα-helixtrans-60-33.5173.8-59.10000112.7I5 R248 T249I5-C252 HydrophobicContact CD1-CB 3.91Å; R248-C252 PolarHBondContact O-N 3.36Å; T249-C252 PolarHBondContact O-N 3.01Å
253S60.4Low79.2Confident101 Ų10183.6 Ų83.671%0.70642%0.424SS*.THydrogen-bonded Turntrans-84-6177.559.20000115.1T249 K250 N251T249-S253 PolarHBondContact O-N 3.14Å; K250-S253 PolarHBondContact O-OG 3.04Å; N251-S253 PolarHBondContact O-N 2.86Å
254L61.6Low77.7Confident125 Ų12590.6 Ų90.665%0.65446%0.459SS*.THydrogen-bonded Turntrans-87.3-13179.5-86164.3000113.3K250 N251K250-L254 VanDerWaalsContact O-CD1 3.25Å; K250-L254 WeakPolarHBondContact O-CD1 3.43Å; K250-L254 VanDerWaalsContact O-CG 3.26Å; K250-L254 WeakPolarHBondContact O-CG 3.5Å; N251-L254 PolarHBondContact O-N 3.43Å; N251-L254 VanDerWaalsContact O-N 3.09Å
255F61.5Low76Confident134 Ų13497.6 Ų97.659%0.58849%0.494SS*.  trans-116.50-169.3-64.5-65.7000113.6L3 I216 N251L3-F255 HydrophobicContact CB-CB 3.89Å; L3-F255 HydrophobicContact CB-CD1 4.04Å; L3-F255 HydrophobicContact CB-CD2 3.99Å; L3-F255 HydrophobicContact CB-CG 3.72Å; L3-F255 HydrophobicContact CD2-CB 4.45Å; L3-F255 HydrophobicContact CD2-CD2 3.61Å; L3-F255 HydrophobicContact CD2-CE2 4.1Å; L3-F255 HydrophobicContact CD2-CG 4.17Å; L3-F255 HydrophobicContact CG-CB 4.45Å; L3-F255 HydrophobicContact CG-CD2 4.36Å; L3-F255 HydrophobicContact CG-CG 4.44Å; L3-F255 WeakPolarHBondContact O-CB 3.24Å; I216-F255 HydrophobicContact CG2-CE2 4.13Å; I216-F255 HydrophobicContact CG2-CZ 4.34Å; N251-F255 HydrophobicContact CB-CE2 4.4Å; N251-F255 WeakPolarHBondContact O-CD2 3.43Å; N251-F255 WeakPolarHBondContact O-CE2 3.48Å

Retrieved 255 of 255 residues in 56.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).