A0A077Z5T3_TRITR Loading...

Receptor type tyrosine protein phosphatase mu

AlphaFold DB , UniProt , Accession A0A077Z5T3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 620 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low43.8Very low202 Ų202122.6 Ų122.6100%0.99562%0.616SS**  0-50.40-91.3-178.2-174.100113.7T3 A4 N5M1-T3 PolarHBondContact O-N 3.32Å; M1-A4 PolarHBondContact O-N 3.35Å; M1-N5 PolarHBondContact O-N 3.15Å
2R38.8Very low44.5Very low234 Ų234119.2 Ų119.288%0.88360%0.596SS**Hα-helixtrans-60-37.5-178.4-73.6-175.1177.7179.9-0.8114.6F6R2-F6 PolarHBondContact O-N 3.41Å
3T42.4Very low45.1Very low106 Ų106116.8 Ų116.865%0.6558%0.582SS**Hα-helixtrans-69.4-38.3177.325.50000113.8M1 F6 F7M1-T3 PolarHBondContact O-N 3.32Å; T3-F6 PolarHBondContact O-N 3.15Å; T3-F7 WeakPolarHBondContact O-CD2 3.3Å; T3-F7 PolarHBondContact O-N 3.26Å; T3-F7 VanDerWaalsContact O-N 3.15Å
4A45.1Very low45.7Very low57 Ų57119 Ų11947%0.47159%0.59SS.*Hα-helixtrans-66.5-37.6177.800000112.2M1 L8M1-A4 PolarHBondContact O-N 3.35Å; A4-L8 PolarHBondContact O-N 2.97Å; A4-L8 VanDerWaalsContact O-N 3.09Å
5N40.3Very low46.4Very low97 Ų97121.5 Ų121.552%0.51960%0.596SS.*Hα-helixtrans-64.1-41.4173.6-78.6-7.6000111.2M1 F7 L8 F9M1-N5 PolarHBondContact O-N 3.15Å; N5-F7 PolarHBondContact O-N 3.45Å; N5-L8 PolarHBondContact O-N 3.36Å; N5-F9 WeakPolarHBondContact O-CD2 3.49Å; N5-F9 PolarHBondContact O-N 2.95Å
6F39.2Very low46.9Very low164 Ų164114.3 Ų114.372%0.71956%0.561SS**Hα-helixtrans-62.9-43.5-179.9-141-89.2000112.4R2 T3 F9 A10R2-F6 PolarHBondContact O-N 3.41Å; T3-F6 PolarHBondContact O-N 3.15Å; F6-F9 PolarHBondContact O-N 3.37Å; F6-A10 PolarHBondContact O-N 3.13Å
7F38Very low47.5Very low155 Ų155112.2 Ų112.268%0.6855%0.551SS**Hα-helixtrans-64.3-41.3174.8-91-81.9000112.7T3 N5 F9 A10 V11T3-F7 WeakPolarHBondContact O-CD2 3.3Å; T3-F7 PolarHBondContact O-N 3.26Å; T3-F7 VanDerWaalsContact O-N 3.15Å; N5-F7 PolarHBondContact O-N 3.45Å; F7-F9 VanDerWaalsContact C-N 3.33Å; F7-F9 PolarHBondContact O-N 3.31Å; F7-A10 PolarHBondContact O-N 3.05Å; F7-V11 VanDerWaalsContact O-CG2 3.3Å; F7-V11 WeakPolarHBondContact O-CG2 3.2Å; F7-V11 PolarHBondContact O-N 3.09Å
8L46.5Very low47.9Very low101 Ų101109.7 Ų109.753%0.52956%0.56SS.*Hα-helixtrans-62.7-40.1175-85159.5000112A4 N5 Q12A4-L8 PolarHBondContact O-N 2.97Å; A4-L8 VanDerWaalsContact O-N 3.09Å; N5-L8 PolarHBondContact O-N 3.36Å; L8-Q12 WeakPolarHBondContact O-CB 3.44Å; L8-Q12 WeakPolarHBondContact O-CG 3.43Å; L8-Q12 PolarHBondContact O-N 3.3Å; L8-Q12 VanDerWaalsContact O-N 3.13Å
9F47.2Very low48.8Very low116 Ų116105.5 Ų105.551%0.50954%0.543SS..Hα-helixtrans-63.9-46.7175.9-91.1-73.6000112N5 F6 F7 Q12 E13N5-F9 WeakPolarHBondContact O-CD2 3.49Å; N5-F9 PolarHBondContact O-N 2.95Å; F6-F9 PolarHBondContact O-N 3.37Å; F7-F9 VanDerWaalsContact C-N 3.33Å; F7-F9 PolarHBondContact O-N 3.31Å; F9-Q12 PolarHBondContact O-N 3.42Å; F9-E13 PolarHBondContact O-N 3.49Å
10A48.4Very low49.6Very low50 Ų50101.1 Ų101.141%0.41352%0.521SS..Hα-helixtrans-64.6-44.4-179.700000112.9F6 F7 Q12 E13 E14F6-A10 PolarHBondContact O-N 3.13Å; F7-A10 PolarHBondContact O-N 3.05Å; A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 3.01Å; A10-E13 PolarHBondContact O-N 3.2Å; A10-E14 PolarHBondContact O-N 3.33Å
11V53Low50.4Low67 Ų6797.2 Ų97.241%0.40650%0.503SS..Hα-helixtrans-65.2-32.7177.4173.50000111.7F7 K15F7-V11 VanDerWaalsContact O-CG2 3.3Å; F7-V11 WeakPolarHBondContact O-CG2 3.2Å; F7-V11 PolarHBondContact O-N 3.09Å; V11-K15 WeakPolarHBondContact O-CB 3.48Å; V11-K15 WeakPolarHBondContact O-CG 3.5Å; V11-K15 PolarHBondContact O-N 3.29Å; V11-K15 VanDerWaalsContact O-N 3.15Å
12Q52.1Low51.7Low81 Ų8196.1 Ų96.138%0.37950%0.495SS..Hα-helixtrans-71.5-36.7175-75.8175.216.600112.3L8 F9 A10 A16 M42L8-Q12 WeakPolarHBondContact O-CB 3.44Å; L8-Q12 WeakPolarHBondContact O-CG 3.43Å; L8-Q12 PolarHBondContact O-N 3.3Å; L8-Q12 VanDerWaalsContact O-N 3.13Å; F9-Q12 PolarHBondContact O-N 3.42Å; A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 3.01Å; Q12-A16 WeakPolarHBondContact O-CB 3.41Å; Q12-A16 PolarHBondContact O-N 3.11Å; Q12-M42 HydrophobicContact CB-CE 3.96Å
13E51.9Low53.6Low88 Ų8886.5 Ų86.541%0.41147%0.468SS..Hα-helixtrans-67.1-44.3173.9-76.5-179170.200111.5F9 A10 K15 A16 M17 K45F9-E13 PolarHBondContact O-N 3.49Å; A10-E13 PolarHBondContact O-N 3.2Å; E13-K15 PolarHBondContact O-N 3.32Å; E13-A16 CarbonylContact O-C 3.14Å; E13-A16 WeakPolarHBondContact O-CA 3.25Å; E13-A16 WeakPolarHBondContact O-CB 2.94Å; E13-A16 PolarHBondContact O-N 3.12Å; E13-M17 VanDerWaalsContact O-CG 3.25Å; E13-M17 WeakPolarHBondContact O-CG 3.35Å; E13-M17 PolarHBondContact O-N 3.1Å; E13-K45 IonicContact OE1-NZ 2.74Å; E13-K45 PolarHBondContact OE1-NZ 2.64Å
14E54.4Low55.7Low148 Ų14885.1 Ų85.169%0.69246%0.461SS*.Hα-helixtrans-61.8-42.2177.6-162.8176.6-16600112.3A10 A16 M17 G18A10-E14 PolarHBondContact O-N 3.33Å; E14-A16 VanDerWaalsContact C-N 3.32Å; E14-A16 PolarHBondContact O-N 2.92Å; E14-M17 PolarHBondContact O-N 3.31Å; E14-G18 PolarHBondContact O-N 3.49Å
15K55.5Low57.7Low156 Ų15683.4 Ų83.468%0.67844%0.444SS*.Hα-helixtrans-64.8-33.1172.1-77.4-178179.2179.10113.2V11 E13V11-K15 WeakPolarHBondContact O-CB 3.48Å; V11-K15 WeakPolarHBondContact O-CG 3.5Å; V11-K15 PolarHBondContact O-N 3.29Å; V11-K15 VanDerWaalsContact O-N 3.15Å; E13-K15 PolarHBondContact O-N 3.32Å
16A55.3Low60.1Low6 Ų683.1 Ų83.15%0.0544%0.439CS..Hα-helixtrans-70.9-41.117600000111.5Q12 E13 E14 A19 M42Q12-A16 WeakPolarHBondContact O-CB 3.41Å; Q12-A16 PolarHBondContact O-N 3.11Å; E13-A16 CarbonylContact O-C 3.14Å; E13-A16 WeakPolarHBondContact O-CA 3.25Å; E13-A16 WeakPolarHBondContact O-CB 2.94Å; E13-A16 PolarHBondContact O-N 3.12Å; E14-A16 VanDerWaalsContact C-N 3.32Å; E14-A16 PolarHBondContact O-N 2.92Å; A16-A19 PolarHBondContact O-N 3.26Å; A16-M42 VanDerWaalsContact CB-O 3.28Å; A16-M42 WeakPolarHBondContact CB-O 3.14Å
17M55.8Low62.5Low79 Ų7977.6 Ų77.639%0.38942%0.416SS..Hα-helixtrans-64.8-42.6176.1-65.7-64.1-68.200111.8E13 E14 A19 V20 E47E13-M17 VanDerWaalsContact O-CG 3.25Å; E13-M17 WeakPolarHBondContact O-CG 3.35Å; E13-M17 PolarHBondContact O-N 3.1Å; E14-M17 PolarHBondContact O-N 3.31Å; M17-A19 PolarHBondContact O-N 2.52Å; M17-A19 VanDerWaalsContact O-N 3.1Å; M17-V20 WeakPolarHBondContact O-CB 3.42Å; M17-V20 WeakPolarHBondContact O-CG2 3.35Å; M17-V20 PolarHBondContact O-N 3.02Å; M17-V20 VanDerWaalsContact O-N 3.12Å; M17-E47 HydrophobicContact CE-CG 3.71Å; M17-E47 WeakPolarHBondContact CE-OE1 3.07Å; M17-E47 HydrophobicContact SD-CG 4.23Å
18G56.1Low64.9Low68 Ų6875.1 Ų75.170%0.70142%0.419SS*.THydrogen-bonded Turntrans-65.6-11.3176.500000114.9E14E14-G18 PolarHBondContact O-N 3.49Å
19A64.6Low67Low30 Ų3077.9 Ų77.925%0.24842%0.422CS..THydrogen-bonded Turntrans-106.34.9177.600000113A16 M17 R37 L43A16-A19 PolarHBondContact O-N 3.26Å; M17-A19 PolarHBondContact O-N 2.52Å; M17-A19 VanDerWaalsContact O-N 3.1Å; A19-R37 PolarHBondContact O-NH2 2.97Å; A19-L43 HydrophobicContact CB-CD1 4.11Å; A19-L43 HydrophobicContact CB-CD2 3.35Å; A19-L43 HydrophobicContact CB-CG 4.21Å
20V65.1Low69Low17 Ų1772.3 Ų72.310%0.10340%0.398CS..SBendtrans-64.6129.2168.4177.20000108.2M17 Q22 Y275M17-V20 WeakPolarHBondContact O-CB 3.42Å; M17-V20 WeakPolarHBondContact O-CG2 3.35Å; M17-V20 PolarHBondContact O-N 3.02Å; M17-V20 VanDerWaalsContact O-N 3.12Å; V20-Q22 PolarHBondContact O-N 3.04Å; V20-Q22 PolarHBondContact O-NE2 2.85Å; V20-Q22 VanDerWaalsContact O-NE2 3.11Å; V20-Y275 HydrophobicContact CG1-CD1 4.12Å; V20-Y275 HydrophobicContact CG1-CD2 3.43Å; V20-Y275 VanDerWaalsContact CG1-CD2 3.43Å; V20-Y275 HydrophobicContact CG1-CE1 4.15Å; V20-Y275 HydrophobicContact CG1-CE2 3.47Å; V20-Y275 VanDerWaalsContact CG1-CE2 3.47Å; V20-Y275 HydrophobicContact CG1-CG 3.78Å
21P66.8Low70.8Confident20 Ų2071.5 Ų71.513%0.1339%0.387CS..  trans-57.6130.8176.219.8-27000110.4G23 I25 F33P21-G23 PolarHBondContact O-N 3Å; P21-I25 HydrophobicContact CB-CD1 4.22Å; P21-I25 HydrophobicContact CB-CG1 4.38Å; P21-I25 HydrophobicContact CG-CD1 4.43Å; P21-F33 HydrophobicContact CB-CE2 4.47Å; P21-F33 HydrophobicContact CB-CZ 4.01Å; P21-F33 HydrophobicContact CG-CZ 4.02Å
22Q70.5Confident72.5Confident179 Ų17971.5 Ų71.584%0.83640%0.395SS*.SBendtrans-820.8-176.9-61.4-61.9-52.300113.2V20V20-Q22 PolarHBondContact O-N 3.04Å; V20-Q22 PolarHBondContact O-NE2 2.85Å; V20-Q22 VanDerWaalsContact O-NE2 3.11Å
23G78.6Confident74.1Confident31 Ų3169.4 Ų69.432%0.3238%0.384SS..SBendtrans178.1-176.7-179.700000111.8P21P21-G23 PolarHBondContact O-N 3Å
24P84.9Confident75.7Confident77 Ų7765.3 Ų65.350%0.537%0.365SS..  trans-57.2146.4178.8-22.732.8000112.5V271 D273P24-V271 HydrophobicContact CB-CB 3.83Å; P24-V271 HydrophobicContact CB-CG1 4.42Å; P24-V271 HydrophobicContact CB-CG2 3.93Å; P24-D273 HydrophobicContact CB-CB 4.18Å; P24-D273 HydrophobicContact CG-CB 4.13Å
25I88.6Confident77.2Confident21 Ų2162.1 Ų62.111%0.10835%0.353CS..EExtended strand (participates in β ladder)trans-107130.2-177.7-56.9154.9000108.5P21 M27 F30 F33 V271 I272P21-I25 HydrophobicContact CB-CD1 4.22Å; P21-I25 HydrophobicContact CB-CG1 4.38Å; P21-I25 HydrophobicContact CG-CD1 4.43Å; I25-M27 PolarHBondContact O-N 3.07Å; I25-F30 HydrophobicContact CB-CD2 4.28Å; I25-F30 HydrophobicContact CD1-CD2 4.18Å; I25-F30 HydrophobicContact CD1-CE2 4.2Å; I25-F30 HydrophobicContact CG2-CD2 4.16Å; I25-F33 HydrophobicContact CD1-CD1 3.81Å; I25-F33 HydrophobicContact CD1-CD2 4.15Å; I25-F33 HydrophobicContact CD1-CE1 3.32Å; I25-F33 HydrophobicContact CD1-CE2 3.65Å; I25-F33 HydrophobicContact CD1-CG 4.19Å; I25-F33 HydrophobicContact CD1-CZ 3.18Å; I25-F33 HydrophobicContact CG1-CE2 4.13Å; I25-F33 HydrophobicContact CG1-CZ 4.11Å; I25-F33 HydrophobicContact CG2-CD2 4.48Å; I25-V271 CarbonylContact O-C 3.6Å; I25-V271 VanDerWaalsContact O-CA 3.31Å; I25-V271 WeakPolarHBondContact O-CA 3.28Å; I25-I272 PolarHBondContact N-O 3.49Å; I25-I272 PolarHBondContact O-N 2.74Å
26E90.5Very high78.5Confident91 Ų9159.9 Ų59.943%0.42535%0.345SS..EExtended strand (participates in β ladder)trans-54.1130172.6-69.5177.5-175.600111.2S28 R29 F30E26-S28 PolarHBondContact O-N 3.33Å; E26-S28 VanDerWaalsContact O-N 3.16Å; E26-R29 HydrophobicContact CB-CG 4.33Å; E26-R29 PolarHBondContact O-N 3.49Å; E26-R29 IonicContact OE1-NH2 3.5Å; E26-R29 PolarHBondContact OE1-NH2 3.38Å; E26-R29 IonicContact OE2-CZ 3.2Å; E26-R29 IonicContact OE2-NE 2.77Å; E26-R29 PolarHBondContact OE2-NE 3.44Å; E26-R29 IonicContact OE2-NH2 2.94Å; E26-R29 PolarHBondContact OE2-NH2 2.86Å; E26-F30 PolarHBondContact O-N 2.66Å
27M87.9Confident79.6Confident48 Ų4860.6 Ų60.624%0.23635%0.346CS..Hα-helixtrans-52.9-39.1-179.5-177.2-178.8175.200111.9I25 R29 F30 A266 N270 V301I25-M27 PolarHBondContact O-N 3.07Å; M27-R29 PolarHBondContact O-N 3.29Å; M27-F30 WeakPolarHBondContact O-CB 3.47Å; M27-F30 PolarHBondContact O-N 3.34Å; M27-A266 HydrophobicContact SD-CB 4.11Å; M27-N270 VanDerWaalsContact CB-O 3.3Å; M27-N270 WeakPolarHBondContact CB-O 3.26Å; M27-N270 PolarHBondContact N-O 3.34Å; M27-V301 HydrophobicContact CE-CB 4.25Å; M27-V301 HydrophobicContact CE-CG1 3.94Å; M27-V301 HydrophobicContact CE-CG2 3.98Å; M27-V301 HydrophobicContact CG-CB 4.45Å; M27-V301 HydrophobicContact CG-CG1 3.66Å; M27-V301 HydrophobicContact CG-CG2 3.91Å
28S89.3Confident80.6Confident104 Ų10461.8 Ų61.873%0.72735%0.349SS*.Hα-helixtrans-61.6-25.817864.90000114.4E26E26-S28 PolarHBondContact O-N 3.33Å; E26-S28 VanDerWaalsContact O-N 3.16Å
29R90.2Very high81.6Confident158 Ų15867 Ų6760%0.59635%0.353SS*.Hα-helixtrans-100.6-10.3179.9-56.5-173.6-160.9-170.27.9112.8E26 M27 V31 A32 F33E26-R29 HydrophobicContact CB-CG 4.33Å; E26-R29 PolarHBondContact O-N 3.49Å; E26-R29 IonicContact OE1-NH2 3.5Å; E26-R29 PolarHBondContact OE1-NH2 3.38Å; E26-R29 IonicContact OE2-CZ 3.2Å; E26-R29 IonicContact OE2-NE 2.77Å; E26-R29 PolarHBondContact OE2-NE 3.44Å; E26-R29 IonicContact OE2-NH2 2.94Å; E26-R29 PolarHBondContact OE2-NH2 2.86Å; M27-R29 PolarHBondContact O-N 3.29Å; R29-V31 PolarHBondContact O-N 2.96Å; R29-A32 PolarHBondContact O-N 3.08Å; R29-F33 WeakPolarHBondContact O-CB 3.45Å; R29-F33 PolarHBondContact O-N 3.18Å
30F89.9Confident82Confident0 Ų071.4 Ų71.40%037%0.366CS..Hα-helixtrans-63.5-43.9-168.3-171.6-101.9000113.2I25 E26 M27 A32 F33 V34 I272 V274 Y294 L297 A298I25-F30 HydrophobicContact CB-CD2 4.28Å; I25-F30 HydrophobicContact CD1-CD2 4.18Å; I25-F30 HydrophobicContact CD1-CE2 4.2Å; I25-F30 HydrophobicContact CG2-CD2 4.16Å; E26-F30 PolarHBondContact O-N 2.66Å; M27-F30 WeakPolarHBondContact O-CB 3.47Å; M27-F30 PolarHBondContact O-N 3.34Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.22Å; F30-F33 WeakPolarHBondContact O-CB 3.48Å; F30-F33 PolarHBondContact O-N 3.26Å; F30-V34 HydrophobicContact CD1-CG2 4.12Å; F30-V34 HydrophobicContact CE1-CG2 3.68Å; F30-V34 HydrophobicContact CE2-CG2 4.38Å; F30-V34 HydrophobicContact CZ-CG2 3.85Å; F30-V34 WeakPolarHBondContact O-CG2 3.36Å; F30-V34 PolarHBondContact O-N 3.33Å; F30-I272 HydrophobicContact CB-CD1 4.08Å; F30-I272 HydrophobicContact CD1-CD1 3.68Å; F30-I272 HydrophobicContact CD2-CB 3.88Å; F30-I272 HydrophobicContact CD2-CD1 3.94Å; F30-I272 HydrophobicContact CD2-CG1 4.48Å; F30-I272 HydrophobicContact CD2-CG2 3.86Å; F30-I272 HydrophobicContact CE1-CD1 4.07Å; F30-I272 HydrophobicContact CE1-CG2 4.46Å; F30-I272 HydrophobicContact CE2-CB 3.96Å; F30-I272 HydrophobicContact CE2-CD1 4.29Å; F30-I272 HydrophobicContact CE2-CG2 3.39Å; F30-I272 HydrophobicContact CG-CB 4.44Å; F30-I272 HydrophobicContact CG-CD1 3.61Å; F30-I272 HydrophobicContact CZ-CD1 4.34Å; F30-I272 HydrophobicContact CZ-CG2 3.73Å; F30-V274 HydrophobicContact CE2-CG2 4.03Å; F30-V274 HydrophobicContact CZ-CG2 3.97Å; F30-Y294 HydrophobicContact CE2-CD1 4.01Å; F30-Y294 HydrophobicContact CE2-CE1 4.07Å; F30-Y294 AromaticContact CZ-CD1 3.62Å; F30-Y294 HydrophobicContact CZ-CD1 3.62Å; F30-Y294 HydrophobicContact CZ-CE1 4.13Å; F30-L297 HydrophobicContact CD1-CB 4.43Å; F30-L297 HydrophobicContact CE1-CB 3.43Å; F30-L297 VanDerWaalsContact CE1-CB 3.43Å; F30-L297 HydrophobicContact CZ-CB 3.79Å; F30-L297 HydrophobicContact CZ-CD1 4.12Å; F30-A298 HydrophobicContact CD1-CB 4.42Å; F30-A298 HydrophobicContact CE1-CB 4.26Å
31V86.7Confident81.8Confident32 Ų3278.3 Ų78.319%0.19439%0.39CS..Hα-helixtrans-61.8-41.8179179.30000111.5R29 V34 N35 V301 Q302R29-V31 PolarHBondContact O-N 2.96Å; V31-V34 PolarHBondContact O-N 3.16Å; V31-N35 PolarHBondContact O-N 3.3Å; V31-N35 VanDerWaalsContact O-N 3.08Å; V31-N35 PolarHBondContact O-ND2 3.16Å; V31-N35 VanDerWaalsContact O-ND2 3.12Å; V31-V301 HydrophobicContact CG2-CB 4.4Å; V31-V301 HydrophobicContact CG2-CG1 4.09Å; V31-Q302 HydrophobicContact CG2-CB 4.05Å
32A87.3Confident81.5Confident68 Ų6881.2 Ų81.256%0.56240%0.403SS*.Hα-helixtrans-65-42.3175.900000111.7R29 F30 V34 N35 E36R29-A32 PolarHBondContact O-N 3.08Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.22Å; A32-V34 PolarHBondContact O-N 3.11Å; A32-N35 PolarHBondContact O-N 2.94Å; A32-E36 PolarHBondContact O-N 3.27Å
33F86.3Confident81Confident36 Ų3674.3 Ų74.316%0.15837%0.372CS..Hα-helixtrans-59.6-42.6176.4176.5-84.8000112.7P21 I25 R29 F30 E36 R37 Y294P21-F33 HydrophobicContact CB-CE2 4.47Å; P21-F33 HydrophobicContact CB-CZ 4.01Å; P21-F33 HydrophobicContact CG-CZ 4.02Å; I25-F33 HydrophobicContact CD1-CD1 3.81Å; I25-F33 HydrophobicContact CD1-CD2 4.15Å; I25-F33 HydrophobicContact CD1-CE1 3.32Å; I25-F33 HydrophobicContact CD1-CE2 3.65Å; I25-F33 HydrophobicContact CD1-CG 4.19Å; I25-F33 HydrophobicContact CD1-CZ 3.18Å; I25-F33 HydrophobicContact CG1-CE2 4.13Å; I25-F33 HydrophobicContact CG1-CZ 4.11Å; I25-F33 HydrophobicContact CG2-CD2 4.48Å; R29-F33 WeakPolarHBondContact O-CB 3.45Å; R29-F33 PolarHBondContact O-N 3.18Å; F30-F33 WeakPolarHBondContact O-CB 3.48Å; F30-F33 PolarHBondContact O-N 3.26Å; F33-E36 PolarHBondContact O-N 2.63Å; F33-R37 VanDerWaalsContact CD2-NH1 3.25Å; F33-R37 PolarHBondContact O-N 3.33Å; F33-Y294 HydrophobicContact CD1-CE1 4.39Å; F33-Y294 AromaticContact CE1-CE1 3.79Å; F33-Y294 HydrophobicContact CE1-CE1 3.79Å
34V85.3Confident80.1Confident3 Ų373.9 Ų73.92%0.01836%0.361CS..Hα-helixtrans-65.9-44.8175.8172.20000111.2F30 V31 A32 E36 R37 K38 Y294 A298F30-V34 HydrophobicContact CD1-CG2 4.12Å; F30-V34 HydrophobicContact CE1-CG2 3.68Å; F30-V34 HydrophobicContact CE2-CG2 4.38Å; F30-V34 HydrophobicContact CZ-CG2 3.85Å; F30-V34 WeakPolarHBondContact O-CG2 3.36Å; F30-V34 PolarHBondContact O-N 3.33Å; V31-V34 PolarHBondContact O-N 3.16Å; A32-V34 PolarHBondContact O-N 3.11Å; V34-E36 VanDerWaalsContact C-N 3.26Å; V34-E36 PolarHBondContact O-N 3.49Å; V34-R37 PolarHBondContact O-N 3.18Å; V34-R37 VanDerWaalsContact O-N 3.12Å; V34-K38 PolarHBondContact O-N 2.98Å; V34-Y294 HydrophobicContact CG2-CD1 3.69Å; V34-Y294 HydrophobicContact CG2-CG 4.25Å; V34-A298 HydrophobicContact CB-CB 4.19Å; V34-A298 HydrophobicContact CG1-CB 4.13Å; V34-A298 HydrophobicContact CG2-CB 4.12Å
35N85.3Confident78.4Confident81 Ų8176 Ų7643%0.43336%0.362SS..Hα-helixtrans-61.6-32.7178.1-75.7-34.5000113V31 A32V31-N35 PolarHBondContact O-N 3.3Å; V31-N35 VanDerWaalsContact O-N 3.08Å; V31-N35 PolarHBondContact O-ND2 3.16Å; V31-N35 VanDerWaalsContact O-ND2 3.12Å; A32-N35 PolarHBondContact O-N 2.94Å
36E82.7Confident76.2Confident108 Ų10875.7 Ų75.751%0.50537%0.365SS..Hα-helixtrans-68.3-44.1172.7-166.2-173.9166.500112A32 F33 V34 K38 K39A32-E36 PolarHBondContact O-N 3.27Å; F33-E36 PolarHBondContact O-N 2.63Å; V34-E36 VanDerWaalsContact C-N 3.26Å; V34-E36 PolarHBondContact O-N 3.49Å; E36-K38 PolarHBondContact O-N 3.45Å; E36-K39 WeakPolarHBondContact O-CB 3.34Å; E36-K39 PolarHBondContact O-N 3.34Å; E36-K39 VanDerWaalsContact O-N 3.13Å
37R78.6Confident73.7Confident21 Ų2175.9 Ų75.98%0.07937%0.365CS..Hα-helixtrans-66-34.3178.8-77.3-179.116558.40.1113.4A19 F33 V34 K39 K40 L43 F44A19-R37 PolarHBondContact O-NH2 2.97Å; F33-R37 VanDerWaalsContact CD2-NH1 3.25Å; F33-R37 PolarHBondContact O-N 3.33Å; V34-R37 PolarHBondContact O-N 3.18Å; V34-R37 VanDerWaalsContact O-N 3.12Å; R37-K39 PolarHBondContact O-N 3.4Å; R37-K40 CarbonylContact O-C 3.58Å; R37-K40 WeakPolarHBondContact O-CA 3.39Å; R37-K40 PolarHBondContact O-N 2.94Å; R37-L43 HydrophobicContact CG-CD1 4Å; R37-F44 HydrophobicContact CB-CZ 4.03Å
38K76.4Confident71.4Confident105 Ų10577.6 Ų77.646%0.45738%0.375SS..Hα-helixtrans-56-31.8172.9-76.6-177.6176.8179.50112.6V34 E36 K40 D295V34-K38 PolarHBondContact O-N 2.98Å; E36-K38 PolarHBondContact O-N 3.45Å; K38-K40 VanDerWaalsContact C-N 3.26Å; K38-K40 PolarHBondContact O-N 3.5Å; K38-D295 WeakPolarHBondContact CE-OD1 3.37Å; K38-D295 IonicContact NZ-OD1 3.66Å; K38-D295 PolarHBondContact NZ-OD1 3.48Å; K38-D295 IonicContact NZ-OD2 2.67Å
39K78.1Confident68.7Low178 Ų17880.9 Ų80.977%0.77438%0.381SS*.THydrogen-bonded Turntrans-72.6-17.6175.8-58.8173-176.1175.90112.8E36 R37E36-K39 WeakPolarHBondContact O-CB 3.34Å; E36-K39 PolarHBondContact O-N 3.34Å; E36-K39 VanDerWaalsContact O-N 3.13Å; R37-K39 PolarHBondContact O-N 3.4Å
40K72.9Confident66Low121 Ų12179.8 Ų79.853%0.52639%0.392SS..  trans-136.976.4-175.2-62.9177.8-174.7166.30111.2R37 K38 M42 L43R37-K40 CarbonylContact O-C 3.58Å; R37-K40 WeakPolarHBondContact O-CA 3.39Å; R37-K40 PolarHBondContact O-N 2.94Å; K38-K40 VanDerWaalsContact C-N 3.26Å; K38-K40 PolarHBondContact O-N 3.5Å; K40-M42 PolarHBondContact O-N 2.77Å; K40-L43 HydrophobicContact CB-CD1 4.03Å; K40-L43 HydrophobicContact CB-CG 4.16Å; K40-L43 WeakPolarHBondContact O-CG 3.39Å; K40-L43 PolarHBondContact O-N 3.33Å
41R61Low63.7Low163 Ų16383.8 Ų83.862%0.61542%0.42SS*.G310 helixtrans-54.8-21.3-178.1-83.5-175166.3-162.8-8.4115.9L43 F44 Q287R41-L43 PolarHBondContact O-N 2.84Å; R41-L43 VanDerWaalsContact O-N 3.16Å; R41-F44 VanDerWaalsContact O-CD2 3.26Å; R41-F44 WeakPolarHBondContact O-CD2 3.27Å; R41-Q287 PolarHBondContact O-NE2 2.82Å
42M60.7Low61.6Low81 Ų8186.7 Ų86.740%0.39944%0.441SS..G310 helixtrans-64.4-17.7-178.3-66-62.4-71.400114Q12 A16 K40 F44Q12-M42 HydrophobicContact CB-CE 3.96Å; A16-M42 VanDerWaalsContact CB-O 3.28Å; A16-M42 WeakPolarHBondContact CB-O 3.14Å; K40-M42 PolarHBondContact O-N 2.77Å; M42-F44 PolarHBondContact O-N 3.41Å; M42-F44 VanDerWaalsContact O-N 3.08Å
43L59.2Low60.2Low34 Ų3483.6 Ų83.618%0.17842%0.415CS..G310 helixtrans-73.43.7-172.6-58.1-176.6000115.4A19 R37 K40 R41A19-L43 HydrophobicContact CB-CD1 4.11Å; A19-L43 HydrophobicContact CB-CD2 3.35Å; A19-L43 HydrophobicContact CB-CG 4.21Å; R37-L43 HydrophobicContact CG-CD1 4Å; K40-L43 HydrophobicContact CB-CD1 4.03Å; K40-L43 HydrophobicContact CB-CG 4.16Å; K40-L43 WeakPolarHBondContact O-CG 3.39Å; K40-L43 PolarHBondContact O-N 3.33Å; R41-L43 PolarHBondContact O-N 2.84Å; R41-L43 VanDerWaalsContact O-N 3.16Å
44F59.8Low59.6Low22 Ų2289.1 Ų89.110%0.09644%0.441CS..G310 helixtrans-104.56.7-175-63.4-69000114.4R37 R41 M42 Q287 I291 Y294R37-F44 HydrophobicContact CB-CZ 4.03Å; R41-F44 VanDerWaalsContact O-CD2 3.26Å; R41-F44 WeakPolarHBondContact O-CD2 3.27Å; M42-F44 PolarHBondContact O-N 3.41Å; M42-F44 VanDerWaalsContact O-N 3.08Å; F44-Q287 HydrophobicContact CB-CG 4Å; F44-I291 HydrophobicContact CD1-CG1 4.48Å; F44-I291 HydrophobicContact CD2-CD1 4.13Å; F44-I291 HydrophobicContact CD2-CG1 3.69Å; F44-I291 HydrophobicContact CE1-CG1 4.3Å; F44-I291 HydrophobicContact CE2-CD1 4.12Å; F44-I291 HydrophobicContact CE2-CG1 3.5Å; F44-I291 HydrophobicContact CG-CG1 4.21Å; F44-I291 HydrophobicContact CZ-CG1 3.82Å; F44-Y294 HydrophobicContact CD1-CD2 4.22Å; F44-Y294 HydrophobicContact CD1-CE2 4.05Å; F44-Y294 AromaticContact CE1-CD2 3.46Å; F44-Y294 HydrophobicContact CE1-CD2 3.46Å; F44-Y294 VanDerWaalsContact CE1-CD2 3.46Å; F44-Y294 AromaticContact CE1-CE2 3.59Å; F44-Y294 HydrophobicContact CE1-CE2 3.59Å; F44-Y294 HydrophobicContact CE1-CG 4.4Å; F44-Y294 HydrophobicContact CZ-CD2 4.38Å
45K49.9Very low59.2Low120 Ų12094.2 Ų94.252%0.52246%0.461SS..  trans-974.2-163.5-148.1-170.7174-158.90115.5E13 E47E13-K45 IonicContact OE1-NZ 2.74Å; E13-K45 PolarHBondContact OE1-NZ 2.64Å; K45-E47 PolarHBondContact O-N 3.35Å
46G42.1Very low58.8Low15 Ų1590.3 Ų90.316%0.15544%0.44CS..  trans-84117-173.900000112.9
47E38.6Very low58.5Low95 Ų9589.4 Ų89.444%0.44444%0.438SS..  trans88.6121.4143.4-53.2172.1175.900119M17 K45 Y275M17-E47 HydrophobicContact CE-CG 3.71Å; M17-E47 WeakPolarHBondContact CE-OE1 3.07Å; M17-E47 HydrophobicContact SD-CG 4.23Å; K45-E47 PolarHBondContact O-N 3.35Å; E47-Y275 WeakPolarHBondContact OE2-CE2 3.47Å; E47-Y275 PolarHBondContact OE2-OH 3.36Å
48L39.8Very low58.8Low84 Ų8494 Ų9444%0.4447%0.468SS..  trans-148.7133157.5-153.195.3000109.3L282L48-L282 VanDerWaalsContact CD1-O 3.27Å; L48-L282 WeakPolarHBondContact CD1-O 3.49Å
49M32.6Very low59.2Low173 Ų17389.9 Ų89.985%0.85245%0.451SS*.  trans-102.6141.6168.4-79.7175.268.800110
50V32.3Very low59.4Low136 Ų13685.6 Ų85.682%0.82444%0.436SS*.  trans-99.3133.2170.1177.50000107.9
51S42.2Very low60.1Low83 Ų8390.2 Ų90.258%0.5846%0.456SS*.  trans-138.2148.1160.6-176.70000109.9
52C42.8Very low61.4Low94 Ų9484.8 Ų84.864%0.63544%0.437SS*.  trans-92.5146.4-174.2-139.30000110.9
53S58.8Low62.8Low3 Ų381.7 Ų81.72%0.02142%0.422CS..  trans-105.8127.5169.2159.10000109.4Y55 G56 L57 P70 D72S53-Y55 PolarHBondContact OG-N 2.77Å; S53-G56 PolarHBondContact OG-N 3.42Å; S53-L57 WeakPolarHBondContact O-CG 3.33Å; S53-L57 PolarHBondContact O-N 3.36Å; S53-P70 WeakPolarHBondContact CB-O 3.16Å; S53-P70 PolarHBondContact OG-O 3.37Å; S53-D72 WeakPolarHBondContact CB-OD1 3.5Å; S53-D72 PolarHBondContact OG-OD1 2.86Å
54E72.8Confident64.2Low151 Ų15182.1 Ų82.171%0.70643%0.425SS*.Hα-helixtrans-69.8-41.6177.7-70.3-173.7168.600110.9G56 L57 V58 D72E54-G56 PolarHBondContact O-N 3.22Å; E54-L57 PolarHBondContact O-N 3.33Å; E54-V58 WeakPolarHBondContact O-CG2 3.31Å; E54-V58 PolarHBondContact O-N 2.76Å; E54-D72 PolarHBondContact N-OD2 3.17Å
55Y77.4Confident65.3Low110 Ų11083.3 Ų83.343%0.43143%0.429SS..Hα-helixtrans-70.6-32.6-179.3-71.5-79.4000113.3S53 L57 V58 N59 D72S53-Y55 PolarHBondContact OG-N 2.77Å; Y55-L57 VanDerWaalsContact C-N 3.31Å; Y55-V58 PolarHBondContact O-N 3.46Å; Y55-N59 PolarHBondContact O-N 2.67Å; Y55-N59 PolarHBondContact O-ND2 3.39Å; Y55-D72 HydrophobicContact CD2-CB 4.4Å
56G75.6Confident66.7Low0 Ų082.1 Ų82.10%043%0.433CS..Hα-helixtrans-63.4-37.7174.400000112.3S53 E54 N59 L60 N63 Y89S53-G56 PolarHBondContact OG-N 3.42Å; E54-G56 PolarHBondContact O-N 3.22Å; G56-N59 PolarHBondContact O-N 3.13Å; G56-L60 PolarHBondContact O-N 3.45Å; G56-N63 PolarHBondContact O-ND2 3.05Å; G56-Y89 WeakPolarHBondContact CA-OH 3.42Å
57L77.9Confident68.3Low89 Ų8987 Ų8747%0.46646%0.456SS..Hα-helixtrans-69.8-30.5175.9-68172.7000113.1S53 E54 Y55 L60 L69S53-L57 WeakPolarHBondContact O-CG 3.33Å; S53-L57 PolarHBondContact O-N 3.36Å; E54-L57 PolarHBondContact O-N 3.33Å; Y55-L57 VanDerWaalsContact C-N 3.31Å; L57-L60 WeakPolarHBondContact O-CG 3.12Å; L57-L69 HydrophobicContact CD2-CD1 4.33Å; L57-L69 HydrophobicContact CG-CD1 4.44Å
58V83.1Confident70.2Confident118 Ų11883.3 Ų83.372%0.71544%0.439SS*.Hα-helixtrans-75.2-30.3176.1178.10000111.7E54 Y55E54-V58 WeakPolarHBondContact O-CG2 3.31Å; E54-V58 PolarHBondContact O-N 2.76Å; Y55-V58 PolarHBondContact O-N 3.46Å
59N85.5Confident72.3Confident18 Ų1880.9 Ų80.910%0.09643%0.426CS..THydrogen-bonded Turntrans-106.931.9-174-67.1-77.6000114.1Y55 G56 K61 K62 N63 S86 Y89Y55-N59 PolarHBondContact O-N 2.67Å; Y55-N59 PolarHBondContact O-ND2 3.39Å; G56-N59 PolarHBondContact O-N 3.13Å; N59-K61 PolarHBondContact O-N 2.9Å; N59-K62 WeakPolarHBondContact O-CB 3.44Å; N59-K62 PolarHBondContact O-N 3.22Å; N59-N63 PolarHBondContact O-ND2 2.99Å; N59-S86 WeakPolarHBondContact OD1-CB 3.35Å; N59-Y89 HydrophobicContact CB-CD1 3.38Å; N59-Y89 HydrophobicContact CB-CD2 4.04Å; N59-Y89 HydrophobicContact CB-CE1 3.53Å; N59-Y89 HydrophobicContact CB-CE2 4.17Å; N59-Y89 HydrophobicContact CB-CG 3.65Å
60L83.2Confident74.6Confident87 Ų8772.7 Ų72.746%0.45539%0.386SS..G310 helixtrans-49.8-34.6-175.3-72.7168.8000114.6G56 L57 K62 N63G56-L60 PolarHBondContact O-N 3.45Å; L57-L60 WeakPolarHBondContact O-CG 3.12Å; L60-K62 PolarHBondContact O-N 3.12Å; L60-N63 PolarHBondContact O-N 3.45Å
61K86.2Confident76.8Confident218 Ų21869.7 Ų69.795%0.94836%0.361SS*.G310 helixtrans-64-21.5178-64.5-178.8-178.7176.50113.8N59N59-K61 PolarHBondContact O-N 2.9Å
62K89.7Confident78.7Confident49 Ų4968.4 Ų68.421%0.21335%0.347CS..G310 helixtrans-91.9-2.5175.8-66.3-169.6170.9-157.80112.5N59 L60 S86 Y89 Q110 D120N59-K62 WeakPolarHBondContact O-CB 3.44Å; N59-K62 PolarHBondContact O-N 3.22Å; L60-K62 PolarHBondContact O-N 3.12Å; K62-S86 PolarHBondContact NZ-O 2.98Å; K62-Y89 HydrophobicContact CB-CD1 3.93Å; K62-Y89 HydrophobicContact CB-CE1 3.89Å; K62-Y89 HydrophobicContact CD-CD1 3.85Å; K62-Y89 HydrophobicContact CG-CD1 4.47Å; K62-Y89 PolarHBondContact NZ-O 2.66Å; K62-Q110 PolarHBondContact O-NE2 3.37Å; K62-D120 IonicContact NZ-OD2 3.94Å; K62-D120 PolarHBondContact NZ-OD2 3.12Å; K62-D120 VanDerWaalsContact NZ-OD2 3.12Å
63N89.6Confident80.6Confident17 Ų1772 Ų729%0.09135%0.352CS..  trans-105.9128.1-179.4-59.7-36.3000110.4G56 N59 L60 Y65 L69 Y89 N91G56-N63 PolarHBondContact O-ND2 3.05Å; N59-N63 PolarHBondContact O-ND2 2.99Å; L60-N63 PolarHBondContact O-N 3.45Å; N63-Y65 VanDerWaalsContact C-N 3.3Å; N63-L69 HydrophobicContact CB-CD2 4.16Å; N63-L69 WeakPolarHBondContact ND2-CD2 3.34Å; N63-Y89 VanDerWaalsContact CG-OH 3.29Å; N63-Y89 PolarHBondContact ND2-OH 3.14Å; N63-Y89 VanDerWaalsContact ND2-OH 3.14Å; N63-Y89 WeakPolarHBondContact OD1-CE1 3.4Å; N63-Y89 PolarHBondContact OD1-OH 3.5Å; N63-N91 WeakPolarHBondContact OD1-CB 3.3Å; N63-N91 PolarHBondContact OD1-ND2 3.17Å
64N87.5Confident81.7Confident42 Ų4273.2 Ų73.223%0.22536%0.359CS..SBendtrans-74.7-25176.1-67.9-24.7000112.6Q110 A111 K113N64-Q110 VanDerWaalsContact CG-OE1 3.23Å; N64-Q110 PolarHBondContact ND2-OE1 3.25Å; N64-A111 PolarHBondContact ND2-O 2.91Å; N64-K113 HydrophobicContact CB-CD 4.17Å; N64-K113 WeakPolarHBondContact OD1-CD 3.47Å
65Y84.4Confident82.5Confident48 Ų4867.2 Ų67.219%0.18833%0.329CS..  trans-138.4117.8-173.4-68-87000108.1N63 D67 I68 S247 N248N63-Y65 VanDerWaalsContact C-N 3.3Å; Y65-D67 WeakPolarHBondContact CB-OD1 2.84Å; Y65-D67 PolarHBondContact O-N 3.12Å; Y65-I68 PolarHBondContact O-N 3.4Å; Y65-S247 WeakPolarHBondContact CE2-O 3.4Å; Y65-N248 HydrophobicContact CD1-CB 4.4Å; Y65-N248 HydrophobicContact CD2-CB 3.37Å; Y65-N248 HydrophobicContact CE2-CB 3.63Å; Y65-N248 HydrophobicContact CG-CB 3.82Å
66P78.1Confident83.3Confident94 Ų9462.2 Ų62.261%0.6131%0.31SS*.THydrogen-bonded Turntrans-71.6-21.4-176.229.8-35000112.9
67D75.3Confident84.2Confident119 Ų11967 Ų6764%0.63634%0.335SS*.THydrogen-bonded Turntrans-85.4-12.2179.157.1-42.4000113.4Y65Y65-D67 WeakPolarHBondContact CB-OD1 2.84Å; Y65-D67 PolarHBondContact O-N 3.12Å
68I79.7Confident85Confident17 Ų1762.9 Ų62.99%0.08731%0.313CS..  trans-119.991.6-179.1-50-65000109.2Y65 N91 N248 N283Y65-I68 PolarHBondContact O-N 3.4Å; I68-N91 PolarHBondContact O-ND2 3.44Å; I68-N248 HydrophobicContact CG1-CB 4.22Å; I68-N248 VanDerWaalsContact CG2-O 3.31Å; I68-N248 WeakPolarHBondContact CG2-O 3.3Å; I68-N283 HydrophobicContact CD1-CB 4.17Å
69L83.3Confident85.5Confident32 Ų3263.6 Ų63.617%0.16831%0.308CS..  trans-114.8147-179.8-58.8179.5000110.1L57 N63L57-L69 HydrophobicContact CD2-CD1 4.33Å; L57-L69 HydrophobicContact CG-CD1 4.44Å; N63-L69 HydrophobicContact CB-CD2 4.16Å; N63-L69 WeakPolarHBondContact ND2-CD2 3.34Å
70P82.2Confident85.9Confident2 Ų266.2 Ų66.21%0.01333%0.327CS..  trans-70.4148.217333.8-35.5000109.5S53 R75 Y89 N91 S93S53-P70 WeakPolarHBondContact CB-O 3.16Å; S53-P70 PolarHBondContact OG-O 3.37Å; P70-R75 HydrophobicContact CB-CB 3.95Å; P70-R75 HydrophobicContact CG-CB 4.22Å; P70-Y89 HydrophobicContact CG-CE2 4.37Å; P70-N91 WeakPolarHBondContact CD-OD1 3.37Å; P70-S93 WeakPolarHBondContact CA-OG 3.46Å; P70-S93 WeakPolarHBondContact CB-OG 3.31Å
71Y78.5Confident86.3Confident73 Ų7365.5 Ų65.529%0.28632%0.323SS..  trans-75.7145.9172.3-58.6-71.2000110.7F73 N74 R75Y71-F73 HydrophobicContact CD1-CE1 4.29Å; Y71-F73 AromaticContact CD2-CE1 3.95Å; Y71-F73 HydrophobicContact CD2-CE1 3.95Å; Y71-F73 AromaticContact CD2-CZ 3.98Å; Y71-F73 HydrophobicContact CD2-CZ 3.98Å; Y71-F73 HydrophobicContact CG-CD1 4.35Å; Y71-F73 AromaticContact CG-CE1 3.6Å; Y71-F73 HydrophobicContact CG-CE1 3.6Å; Y71-F73 HydrophobicContact CG-CZ 4.1Å; Y71-F73 PolarHBondContact O-N 2.86Å; Y71-N74 WeakPolarHBondContact CB-OD1 3.28Å; Y71-N74 PolarHBondContact O-N 3.08Å; Y71-N74 PolarHBondContact O-OD1 2.98Å; Y71-N74 VanDerWaalsContact O-OD1 3.11Å; Y71-R75 WeakPolarHBondContact O-CB 3.4Å; Y71-R75 PolarHBondContact O-N 3.43Å
72D81.9Confident86.4Confident55 Ų5560.7 Ų60.729%0.29431%0.314SS..THydrogen-bonded Turntrans-64.3-26.9-174.9-66.1-25.7000112.9S53 E54 Y55S53-D72 WeakPolarHBondContact CB-OD1 3.5Å; S53-D72 PolarHBondContact OG-OD1 2.86Å; E54-D72 PolarHBondContact N-OD2 3.17Å; Y55-D72 HydrophobicContact CD2-CB 4.4Å
73F81.2Confident86.3Confident170 Ų17067.4 Ų67.475%0.74635%0.351SS*.THydrogen-bonded Turntrans-77.3-26.6-179.169.3-97.4000114.3Y71Y71-F73 HydrophobicContact CD1-CE1 4.29Å; Y71-F73 AromaticContact CD2-CE1 3.95Å; Y71-F73 HydrophobicContact CD2-CE1 3.95Å; Y71-F73 AromaticContact CD2-CZ 3.98Å; Y71-F73 HydrophobicContact CD2-CZ 3.98Å; Y71-F73 HydrophobicContact CG-CD1 4.35Å; Y71-F73 AromaticContact CG-CE1 3.6Å; Y71-F73 HydrophobicContact CG-CE1 3.6Å; Y71-F73 HydrophobicContact CG-CZ 4.1Å; Y71-F73 PolarHBondContact O-N 2.86Å
74N83.4Confident86.2Confident29 Ų2969.3 Ų69.316%0.15536%0.361CS..THydrogen-bonded Turntrans-121.63.1-177.371.1-13.1000114Y71 S93 Y94Y71-N74 WeakPolarHBondContact CB-OD1 3.28Å; Y71-N74 PolarHBondContact O-N 3.08Å; Y71-N74 PolarHBondContact O-OD1 2.98Å; Y71-N74 VanDerWaalsContact O-OD1 3.11Å; N74-S93 CarbonylContact O-C 3.48Å; N74-S93 WeakPolarHBondContact O-CA 3.48Å; N74-Y94 WeakPolarHBondContact CB-O 3.41Å; N74-Y94 PolarHBondContact ND2-O 2.9Å; N74-Y94 VanDerWaalsContact ND2-O 3.08Å; N74-Y94 PolarHBondContact O-N 2.89Å
75R89.3Confident86.1Confident25 Ų2572.9 Ų72.99%0.09439%0.389CS..EExtended strand (participates in β ladder)trans-58.3147.8177.670.6-178.4-177.6118-8.6112.3P70 Y71 I77 H88 A92P70-R75 HydrophobicContact CB-CB 3.95Å; P70-R75 HydrophobicContact CG-CB 4.22Å; Y71-R75 WeakPolarHBondContact O-CB 3.4Å; Y71-R75 PolarHBondContact O-N 3.43Å; R75-I77 HydrophobicContact CG-CG1 4.09Å; R75-H88 PolarHBondContact NH1-CD2 2.97Å; R75-A92 CarbonylContact C-O 3.53Å; R75-A92 VanDerWaalsContact CA-O 3.31Å; R75-A92 WeakPolarHBondContact CA-O 3.4Å
76V93.1Very high86.3Confident4 Ų472.1 Ų72.12%0.02439%0.391CS..EExtended strand (participates in β ladder)trans-74.7130.9167.4-178.10000108.9L78 I90 A92 Y94 I107 M124V76-L78 HydrophobicContact CG1-CD2 4.22Å; V76-I90 HydrophobicContact CB-CG2 4.04Å; V76-I90 HydrophobicContact CG1-CG2 4.14Å; V76-A92 HydrophobicContact CB-CB 4.01Å; V76-A92 HydrophobicContact CG2-CB 3.73Å; V76-A92 PolarHBondContact N-O 3.18Å; V76-Y94 HydrophobicContact CB-CE2 4.22Å; V76-Y94 HydrophobicContact CG1-CE2 4.35Å; V76-Y94 HydrophobicContact CG2-CD2 3.91Å; V76-Y94 HydrophobicContact CG2-CE2 3.73Å; V76-Y94 HydrophobicContact CG2-CG 4.45Å; V76-I107 HydrophobicContact CG2-CD1 4.39Å; V76-I107 HydrophobicContact CG2-CG1 4.24Å; V76-I107 HydrophobicContact CG2-CG2 3.83Å; V76-M124 HydrophobicContact CG1-CG 4.1Å; V76-M124 HydrophobicContact CG1-SD 4.25Å; V76-M124 HydrophobicContact CG2-SD 4.38Å
77I94.6Very high87Confident102 Ų10267.7 Ų67.752%0.52336%0.362SS..EExtended strand (participates in β ladder)trans-114.4116.3176.8-55.9174.8000107.7R75 H88R75-I77 HydrophobicContact CG-CG1 4.09Å; I77-H88 HydrophobicContact CG2-CB 4.32Å
78L95.6Very high87.9Confident2 Ų263.8 Ų63.81%0.0134%0.34CS..PPolyproline II helixtrans-81.6154.7176.4-57.4-179.5000111V76 P80 H88 I90 D120 R123 M124 E127V76-L78 HydrophobicContact CG1-CD2 4.22Å; L78-P80 WeakPolarHBondContact O-CD 3.21Å; L78-H88 PolarHBondContact N-O 3.31Å; L78-H88 WeakPolarHBondContact O-CA 3.37Å; L78-H88 WeakPolarHBondContact O-CB 3.46Å; L78-I90 HydrophobicContact CD1-CB 4.07Å; L78-I90 HydrophobicContact CD1-CD1 4.44Å; L78-I90 HydrophobicContact CD1-CG2 4.08Å; L78-I90 HydrophobicContact CD2-CG2 4.27Å; L78-I90 HydrophobicContact CG-CB 4.41Å; L78-I90 HydrophobicContact CG-CG2 3.89Å; L78-D120 HydrophobicContact CD1-CB 4.28Å; L78-R123 HydrophobicContact CD1-CB 4.32Å; L78-M124 HydrophobicContact CD2-CB 3.81Å; L78-M124 HydrophobicContact CD2-CG 4.37Å; L78-E127 WeakPolarHBondContact CA-OE2 3.49Å
79H93.6Very high88.6Confident132 Ų13263 Ų6361%0.61134%0.336SS*.PPolyproline II helixtrans-60.8121.9172.5-174.576.8000110.5L81 R123 E127H79-L81 PolarHBondContact O-N 2.8Å; H79-R123 PolarHBondContact O-NH2 3.21Å; H79-E127 PolarHBondContact N-OE2 2.85Å
80P93.6Very high89.1Confident74 Ų7462.1 Ų62.148%0.48133%0.332SS..PPolyproline II helixtrans-58.7135.8-177.8-21.830.9000112.7L78 S87 H88L78-P80 WeakPolarHBondContact O-CD 3.21Å; P80-S87 WeakPolarHBondContact CA-OG 3.26Å; P80-H88 HydrophobicContact CG-CB 4.08Å
81L91.4Very high89.6Confident71 Ų7162.5 Ų62.537%0.37233%0.333SS..PPolyproline II helixtrans-85146.3170.7-62177000110.5H79 L83 D84 S87H79-L81 PolarHBondContact O-N 2.8Å; L81-L83 PolarHBondContact O-N 2.88Å; L81-D84 PolarHBondContact O-N 2.86Å; L81-S87 PolarHBondContact N-OG 3Å
82P88.4Confident90.3Very high118 Ų11859 Ų5977%0.76632%0.32SS*.THydrogen-bonded Turntrans-55.8139.1171.5-22.432.9000111.1D84P82-D84 PolarHBondContact O-N 2.93Å; P82-D84 VanDerWaalsContact O-N 3.17Å
83L86.7Confident90.6Very high190 Ų19057.1 Ų57.1100%0.99531%0.311SS*.THydrogen-bonded Turntrans66.74.3175.6-51.1169.6000116.4L81L81-L83 PolarHBondContact O-N 2.88Å
84D88.1Confident91Very high57 Ų5751.6 Ų51.631%0.30529%0.286SS..  trans-125.198.9170.9177.66.9000110.4L81 P82 S86 S87L81-D84 PolarHBondContact O-N 2.86Å; P82-D84 PolarHBondContact O-N 2.93Å; P82-D84 VanDerWaalsContact O-N 3.17Å; D84-S86 PolarHBondContact O-N 2.81Å; D84-S86 WeakPolarHBondContact OD1-CA 3.2Å; D84-S86 WeakPolarHBondContact OD1-CB 3.43Å; D84-S86 PolarHBondContact OD1-N 3.39Å; D84-S86 PolarHBondContact OD1-OG 3.13Å; D84-S87 VanDerWaalsContact O-CB 3.27Å; D84-S87 WeakPolarHBondContact O-CB 3.48Å; D84-S87 PolarHBondContact O-N 2.92Å; D84-S87 PolarHBondContact O-OG 2.9Å; D84-S87 PolarHBondContact OD1-N 3.48Å; D84-S87 VanDerWaalsContact OD1-N 3.17Å; D84-S87 WeakPolarHBondContact OD2-CA 3.46Å; D84-S87 WeakPolarHBondContact OD2-CB 3.31Å; D84-S87 PolarHBondContact OD2-N 2.91Å
85S86.4Confident91Very high116 Ų11651 Ų5181%0.81128%0.282SS*.THydrogen-bonded Turntrans-64.1-21.417957.10000113.3H88S85-H88 PolarHBondContact O-CE1 2.95Å; S85-H88 PolarHBondContact O-ND1 3.39Å
86S88.4Confident90.3Very high33 Ų3354.8 Ų54.823%0.23130%0.304CS..THydrogen-bonded Turntrans-93.3-5.3179.176.20000113.8N59 K62 D84 H88 Y89N59-S86 WeakPolarHBondContact OD1-CB 3.35Å; K62-S86 PolarHBondContact NZ-O 2.98Å; D84-S86 PolarHBondContact O-N 2.81Å; D84-S86 WeakPolarHBondContact OD1-CA 3.2Å; D84-S86 WeakPolarHBondContact OD1-CB 3.43Å; D84-S86 PolarHBondContact OD1-N 3.39Å; D84-S86 PolarHBondContact OD1-OG 3.13Å; S86-H88 PolarHBondContact O-N 3.12Å; S86-H88 VanDerWaalsContact O-N 3.12Å; S86-Y89 WeakPolarHBondContact O-CB 3.4Å; S86-Y89 PolarHBondContact O-N 3Å
87S92.6Very high88.9Confident0 Ų054.9 Ų54.90%031%0.305CS..THydrogen-bonded Turntrans-63.4-17.6-175.258.40000114.9P80 L81 D84 R123P80-S87 WeakPolarHBondContact CA-OG 3.26Å; L81-S87 PolarHBondContact N-OG 3Å; D84-S87 VanDerWaalsContact O-CB 3.27Å; D84-S87 WeakPolarHBondContact O-CB 3.48Å; D84-S87 PolarHBondContact O-N 2.92Å; D84-S87 PolarHBondContact O-OG 2.9Å; D84-S87 PolarHBondContact OD1-N 3.48Å; D84-S87 VanDerWaalsContact OD1-N 3.17Å; D84-S87 WeakPolarHBondContact OD2-CA 3.46Å; D84-S87 WeakPolarHBondContact OD2-CB 3.31Å; D84-S87 PolarHBondContact OD2-N 2.91Å; S87-R123 PolarHBondContact O-NH1 2.98Å; S87-R123 PolarHBondContact O-NH2 3.31Å
88H93.3Very high87Confident38 Ų3851.9 Ų51.918%0.17629%0.293CS..THydrogen-bonded Turntrans-79.4-20.9176.176-88.4000112.4R75 I77 L78 P80 S85 S86R75-H88 PolarHBondContact NH1-CD2 2.97Å; I77-H88 HydrophobicContact CG2-CB 4.32Å; L78-H88 PolarHBondContact N-O 3.31Å; L78-H88 WeakPolarHBondContact O-CA 3.37Å; L78-H88 WeakPolarHBondContact O-CB 3.46Å; P80-H88 HydrophobicContact CG-CB 4.08Å; S85-H88 PolarHBondContact O-CE1 2.95Å; S85-H88 PolarHBondContact O-ND1 3.39Å; S86-H88 PolarHBondContact O-N 3.12Å; S86-H88 VanDerWaalsContact O-N 3.12Å
89Y94.1Very high84.6Confident0 Ų053.5 Ų53.50%030%0.304CS..EExtended strand (participates in β ladder)trans-88129.3-176.7178.7-86.9000111.2G56 N59 K62 N63 P70 S86 N91G56-Y89 WeakPolarHBondContact CA-OH 3.42Å; N59-Y89 HydrophobicContact CB-CD1 3.38Å; N59-Y89 HydrophobicContact CB-CD2 4.04Å; N59-Y89 HydrophobicContact CB-CE1 3.53Å; N59-Y89 HydrophobicContact CB-CE2 4.17Å; N59-Y89 HydrophobicContact CB-CG 3.65Å; K62-Y89 HydrophobicContact CB-CD1 3.93Å; K62-Y89 HydrophobicContact CB-CE1 3.89Å; K62-Y89 HydrophobicContact CD-CD1 3.85Å; K62-Y89 HydrophobicContact CG-CD1 4.47Å; K62-Y89 PolarHBondContact NZ-O 2.66Å; N63-Y89 VanDerWaalsContact CG-OH 3.29Å; N63-Y89 PolarHBondContact ND2-OH 3.14Å; N63-Y89 VanDerWaalsContact ND2-OH 3.14Å; N63-Y89 WeakPolarHBondContact OD1-CE1 3.4Å; N63-Y89 PolarHBondContact OD1-OH 3.5Å; P70-Y89 HydrophobicContact CG-CE2 4.37Å; S86-Y89 WeakPolarHBondContact O-CB 3.4Å; S86-Y89 PolarHBondContact O-N 3Å; Y89-N91 HydrophobicContact CE1-CB 4.49Å
90I95Very high82.6Confident14 Ų1456.7 Ų56.77%0.07232%0.317CS..EExtended strand (participates in β ladder)trans-138.1142.4163.9-173.4167.4000108.1V76 L78 A92 D120 M124V76-I90 HydrophobicContact CB-CG2 4.04Å; V76-I90 HydrophobicContact CG1-CG2 4.14Å; L78-I90 HydrophobicContact CD1-CB 4.07Å; L78-I90 HydrophobicContact CD1-CD1 4.44Å; L78-I90 HydrophobicContact CD1-CG2 4.08Å; L78-I90 HydrophobicContact CD2-CG2 4.27Å; L78-I90 HydrophobicContact CG-CB 4.41Å; L78-I90 HydrophobicContact CG-CG2 3.89Å; I90-A92 HydrophobicContact CG2-CB 4.19Å; I90-A92 PolarHBondContact O-N 2.95Å; I90-D120 HydrophobicContact CD1-CB 4.25Å; I90-M124 HydrophobicContact CD1-CB 4.04Å; I90-M124 HydrophobicContact CD1-CE 4.21Å; I90-M124 HydrophobicContact CD1-SD 3.84Å; I90-M124 HydrophobicContact CG2-SD 4.35Å
91N92.4Very high80.7Confident9 Ų959.4 Ų59.45%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-76.482173.7-170.5-33000109.4N63 I68 P70 Y89 T109 Q110N63-N91 WeakPolarHBondContact OD1-CB 3.3Å; N63-N91 PolarHBondContact OD1-ND2 3.17Å; I68-N91 PolarHBondContact O-ND2 3.44Å; P70-N91 WeakPolarHBondContact CD-OD1 3.37Å; Y89-N91 HydrophobicContact CE1-CB 4.49Å; N91-T109 PolarHBondContact O-OG1 3.3Å; N91-Q110 HydrophobicContact CB-CG 4.17Å; N91-Q110 VanDerWaalsContact CB-NE2 3.33Å
92A93.3Very high79.3Confident0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-149.4148.5175.600000109.7R75 V76 I90 I107 V108 M124R75-A92 CarbonylContact C-O 3.53Å; R75-A92 VanDerWaalsContact CA-O 3.31Å; R75-A92 WeakPolarHBondContact CA-O 3.4Å; V76-A92 HydrophobicContact CB-CB 4.01Å; V76-A92 HydrophobicContact CG2-CB 3.73Å; V76-A92 PolarHBondContact N-O 3.18Å; I90-A92 HydrophobicContact CG2-CB 4.19Å; I90-A92 PolarHBondContact O-N 2.95Å; A92-I107 HydrophobicContact CB-CG2 4.01Å; A92-V108 CarbonylContact C-O 3.46Å; A92-V108 WeakPolarHBondContact CA-O 3.23Å; A92-M124 HydrophobicContact CB-CE 4.43Å; A92-M124 HydrophobicContact CB-SD 3.52Å; A92-M124 VanDerWaalsContact CB-SD 3.52Å
93S88.9Confident78.1Confident16 Ų1659 Ų5911%0.11232%0.315CS..EExtended strand (participates in β ladder)trans-129.1136.5-179.3-53.30000110.2P70 N74 I107 V108P70-S93 WeakPolarHBondContact CA-OG 3.46Å; P70-S93 WeakPolarHBondContact CB-OG 3.31Å; N74-S93 CarbonylContact O-C 3.48Å; N74-S93 WeakPolarHBondContact O-CA 3.48Å; S93-I107 CarbonylContact O-C 3.5Å; S93-I107 WeakPolarHBondContact O-CA 3.27Å; S93-V108 PolarHBondContact N-O 2.65Å; S93-V108 PolarHBondContact O-N 3.16Å
94Y89Confident77.3Confident54 Ų5455.3 Ų55.321%0.21229%0.292CS..EExtended strand (participates in β ladder)trans-69135.2161.9-71.9-75.9000109.2N74 V76 K104 F106 I107N74-Y94 WeakPolarHBondContact CB-O 3.41Å; N74-Y94 PolarHBondContact ND2-O 2.9Å; N74-Y94 VanDerWaalsContact ND2-O 3.08Å; N74-Y94 PolarHBondContact O-N 2.89Å; V76-Y94 HydrophobicContact CB-CE2 4.22Å; V76-Y94 HydrophobicContact CG1-CE2 4.35Å; V76-Y94 HydrophobicContact CG2-CD2 3.91Å; V76-Y94 HydrophobicContact CG2-CE2 3.73Å; V76-Y94 HydrophobicContact CG2-CG 4.45Å; Y94-K104 HydrophobicContact CD1-CB 3.65Å; Y94-K104 HydrophobicContact CD1-CD 3.92Å; Y94-K104 HydrophobicContact CD1-CG 3.91Å; Y94-K104 HydrophobicContact CD2-CD 4.36Å; Y94-K104 HydrophobicContact CE1-CB 4.18Å; Y94-K104 HydrophobicContact CE1-CD 4.16Å; Y94-K104 HydrophobicContact CG-CB 4.29Å; Y94-K104 HydrophobicContact CG-CD 4.01Å; Y94-K104 HydrophobicContact CG-CG 4.06Å; Y94-F106 CarbonylContact C-O 3.27Å; Y94-F106 WeakPolarHBondContact CA-O 3.2Å; Y94-I107 HydrophobicContact CD1-CD1 4.2Å; Y94-I107 HydrophobicContact CD1-CG1 3.55Å; Y94-I107 HydrophobicContact CE1-CD1 3.59Å; Y94-I107 HydrophobicContact CE1-CG1 3.49Å; Y94-I107 VanDerWaalsContact CE1-CG1 3.49Å; Y94-I107 HydrophobicContact CG-CG1 4.4Å
95I82.7Confident77Confident17 Ų1753 Ų539%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-119.6126.1171.7-40.6-67.6000109.6V97 F106 V108 T280 L281I95-V97 HydrophobicContact CB-CG2 3.78Å; I95-V97 HydrophobicContact CG2-CG2 3.24Å; I95-V97 PolarHBondContact O-N 3.4Å; I95-F106 HydrophobicContact CB-CB 4.39Å; I95-F106 PolarHBondContact N-O 3.22Å; I95-F106 PolarHBondContact O-N 3.17Å; I95-V108 HydrophobicContact CD1-CG2 4.38Å; I95-V108 HydrophobicContact CG1-CB 4.23Å; I95-V108 HydrophobicContact CG1-CG2 3.62Å; I95-T280 HydrophobicContact CG2-CG2 4.05Å; I95-L281 HydrophobicContact CB-CD2 4.35Å; I95-L281 HydrophobicContact CG1-CD2 4.2Å; I95-L281 HydrophobicContact CG2-CD2 3.71Å
96D75.6Confident77.2Confident104 Ų10448 Ų4856%0.55624%0.244SC*.  trans-90.594.9170.2-60.4-28.7000107.2K104D96-K104 VanDerWaalsContact OD1-CA 3.3Å; D96-K104 WeakPolarHBondContact OD1-CA 3.49Å; D96-K104 PolarHBondContact OD1-N 3.07Å
97V62.9Low77.5Confident5 Ų546.4 Ų46.43%0.0323%0.233CC..  trans-110.5-25.7-179.5-160.80000110.6I95 S99 F106 A261 Y277 L281I95-V97 HydrophobicContact CB-CG2 3.78Å; I95-V97 HydrophobicContact CG2-CG2 3.24Å; I95-V97 PolarHBondContact O-N 3.4Å; V97-S99 PolarHBondContact O-N 3.22Å; V97-F106 HydrophobicContact CB-CD2 3.8Å; V97-F106 HydrophobicContact CB-CE2 3.78Å; V97-F106 HydrophobicContact CG2-CD2 3.59Å; V97-F106 HydrophobicContact CG2-CE2 4.07Å; V97-A261 HydrophobicContact CB-CB 4.11Å; V97-A261 HydrophobicContact CG1-CB 3.21Å; V97-Y277 HydrophobicContact CB-CD1 4.38Å; V97-Y277 HydrophobicContact CB-CE1 4.2Å; V97-Y277 HydrophobicContact CG1-CD1 3.16Å; V97-Y277 HydrophobicContact CG1-CE1 3.23Å; V97-Y277 HydrophobicContact CG1-CG 4.04Å; V97-Y277 WeakPolarHBondContact O-CE1 3.37Å; V97-Y277 PolarHBondContact O-OH 3.38Å; V97-L281 HydrophobicContact CG1-CD1 3.95Å; V97-L281 HydrophobicContact CG2-CD1 4.23Å; V97-L281 HydrophobicContact CG2-CD2 4.04Å; V97-L281 HydrophobicContact CG2-CG 4.45Å
98S54.8Low77.4Confident40 Ų4047.2 Ų47.228%0.2824%0.238SC..SBendtrans-75.2130.7176.351.70000110.8F100 Q102S98-F100 PolarHBondContact O-N 2.84Å; S98-Q102 PolarHBondContact OG-N 2.99Å; S98-Q102 PolarHBondContact OG-O 3.02Å
99S46.2Very low77.5Confident35 Ų3545.6 Ų45.625%0.24523%0.231CC..SBendtrans-47127.4159.6179.90000108.8V97 F101V97-S99 PolarHBondContact O-N 3.22Å; S99-F101 VanDerWaalsContact O-CD2 3.28Å; S99-F101 WeakPolarHBondContact O-CD2 3.35Å; S99-F101 PolarHBondContact O-N 2.85Å
100F50.4Low77.5Confident199 Ų19946.4 Ų46.487%0.87323%0.234SC*.SBendtrans42.7-25.4167.6-70.8-87.1000122.3S98S98-F100 PolarHBondContact O-N 2.84Å
101F53.6Low77.5Confident131 Ų13145.8 Ų45.858%0.57523%0.232SC*.SBendtrans-103.7-24.5-159.7-61.5-68.9000114.8S99S99-F101 VanDerWaalsContact O-CD2 3.28Å; S99-F101 WeakPolarHBondContact O-CD2 3.35Å; S99-F101 PolarHBondContact O-N 2.85Å
102Q63.3Low77.6Confident83 Ų8345.6 Ų45.639%0.38823%0.231SC..  trans-140.585.4178.3-60.8-165-3.400113.4S98 K104 A105 N239S98-Q102 PolarHBondContact OG-N 2.99Å; S98-Q102 PolarHBondContact OG-O 3.02Å; Q102-K104 PolarHBondContact O-N 3.15Å; Q102-A105 HydrophobicContact CB-CB 4.19Å; Q102-A105 PolarHBondContact O-N 3.18Å; Q102-N239 WeakPolarHBondContact CG-OD1 3.43Å; Q102-N239 PolarHBondContact OE1-OD1 2.88Å
103P63Low77.7Confident97 Ų9748.4 Ų48.463%0.6324%0.243SC*.THydrogen-bonded Turntrans-56.7138.216825.3-33.2000109.9
104K69.3Low77.9Confident114 Ų11451.1 Ų51.150%0.49626%0.259SS..THydrogen-bonded Turntrans63.235.6-178.5-57.8-178.9179.4178.10114.5Y94 D96 Q102 F106 P241Y94-K104 HydrophobicContact CD1-CB 3.65Å; Y94-K104 HydrophobicContact CD1-CD 3.92Å; Y94-K104 HydrophobicContact CD1-CG 3.91Å; Y94-K104 HydrophobicContact CD2-CD 4.36Å; Y94-K104 HydrophobicContact CE1-CB 4.18Å; Y94-K104 HydrophobicContact CE1-CD 4.16Å; Y94-K104 HydrophobicContact CG-CB 4.29Å; Y94-K104 HydrophobicContact CG-CD 4.01Å; Y94-K104 HydrophobicContact CG-CG 4.06Å; D96-K104 VanDerWaalsContact OD1-CA 3.3Å; D96-K104 WeakPolarHBondContact OD1-CA 3.49Å; D96-K104 PolarHBondContact OD1-N 3.07Å; Q102-K104 PolarHBondContact O-N 3.15Å; K104-F106 PolarHBondContact O-N 2.83Å; K104-P241 WeakPolarHBondContact O-CB 3.38Å
105A82.5Confident78.1Confident8 Ų857 Ų577%0.06629%0.286CS..  trans-57.8-29.6178.300000114Q102 P241 M242Q102-A105 HydrophobicContact CB-CB 4.19Å; Q102-A105 PolarHBondContact O-N 3.18Å; A105-P241 VanDerWaalsContact O-CA 3.29Å; A105-P241 WeakPolarHBondContact O-CA 3.45Å; A105-M242 PolarHBondContact O-N 3.2Å
106F90.4Very high78.5Confident11 Ų1163.6 Ų63.65%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-128.4147.6-176.5-54.1-80000112.4Y94 I95 V97 K104 M242 L257 H260Y94-F106 CarbonylContact C-O 3.27Å; Y94-F106 WeakPolarHBondContact CA-O 3.2Å; I95-F106 HydrophobicContact CB-CB 4.39Å; I95-F106 PolarHBondContact N-O 3.22Å; I95-F106 PolarHBondContact O-N 3.17Å; V97-F106 HydrophobicContact CB-CD2 3.8Å; V97-F106 HydrophobicContact CB-CE2 3.78Å; V97-F106 HydrophobicContact CG2-CD2 3.59Å; V97-F106 HydrophobicContact CG2-CE2 4.07Å; K104-F106 PolarHBondContact O-N 2.83Å; F106-M242 CarbonylContact C-O 3.49Å; F106-M242 WeakPolarHBondContact CA-O 3.42Å; F106-M242 HydrophobicContact CD1-CB 3.98Å; F106-M242 HydrophobicContact CD1-SD 4.37Å; F106-M242 HydrophobicContact CE1-CB 4.29Å; F106-M242 HydrophobicContact CE1-CE 4.25Å; F106-M242 HydrophobicContact CE1-SD 4.18Å; F106-L257 HydrophobicContact CB-CD1 4.45Å; F106-L257 HydrophobicContact CB-CD2 4.35Å; F106-L257 HydrophobicContact CD1-CD2 3.42Å; F106-L257 VanDerWaalsContact CD1-CD2 3.42Å; F106-L257 HydrophobicContact CD2-CD2 4.36Å; F106-L257 HydrophobicContact CE1-CD2 3.75Å; F106-L257 HydrophobicContact CG-CD2 3.77Å; F106-L257 HydrophobicContact CZ-CD2 4.34Å; F106-H260 AromaticContact CE1-CD2 3.62Å; F106-H260 AromaticContact CE1-NE2 3.83Å; F106-H260 AromaticContact CZ-CD2 3.65Å; F106-H260 AromaticContact CZ-NE2 3.98Å
107I93.5Very high79.4Confident0 Ų060 Ų600%030%0.3CS..EExtended strand (participates in β ladder)trans-117.7121.5163.8-67.9167.5000107.7V76 A92 S93 Y94 M124 P241 M242 I243 V244V76-I107 HydrophobicContact CG2-CD1 4.39Å; V76-I107 HydrophobicContact CG2-CG1 4.24Å; V76-I107 HydrophobicContact CG2-CG2 3.83Å; A92-I107 HydrophobicContact CB-CG2 4.01Å; S93-I107 CarbonylContact O-C 3.5Å; S93-I107 WeakPolarHBondContact O-CA 3.27Å; Y94-I107 HydrophobicContact CD1-CD1 4.2Å; Y94-I107 HydrophobicContact CD1-CG1 3.55Å; Y94-I107 HydrophobicContact CE1-CD1 3.59Å; Y94-I107 HydrophobicContact CE1-CG1 3.49Å; Y94-I107 VanDerWaalsContact CE1-CG1 3.49Å; Y94-I107 HydrophobicContact CG-CG1 4.4Å; I107-M124 HydrophobicContact CG2-CE 4.24Å; I107-M124 HydrophobicContact CG2-SD 3.82Å; I107-P241 HydrophobicContact CD1-CB 3.83Å; I107-P241 HydrophobicContact CD1-CG 3.71Å; I107-P241 HydrophobicContact CG1-CB 3.87Å; I107-P241 HydrophobicContact CG1-CG 4.3Å; I107-M242 PolarHBondContact N-O 3.23Å; I107-I243 HydrophobicContact CB-CG1 3.9Å; I107-I243 HydrophobicContact CD1-CG1 4.13Å; I107-I243 HydrophobicContact CG2-CG1 4.19Å; I107-I243 CarbonylContact O-C 3.12Å; I107-I243 WeakPolarHBondContact O-CA 3.43Å; I107-V244 PolarHBondContact O-N 2.93Å
108V92.3Very high81Confident16 Ų1660.1 Ų60.110%0.09730%0.301CS..EExtended strand (participates in β ladder)trans-101.4133.3174.3179.60000110A92 S93 I95 V244 G249 L257A92-V108 CarbonylContact C-O 3.46Å; A92-V108 WeakPolarHBondContact CA-O 3.23Å; S93-V108 PolarHBondContact N-O 2.65Å; S93-V108 PolarHBondContact O-N 3.16Å; I95-V108 HydrophobicContact CD1-CG2 4.38Å; I95-V108 HydrophobicContact CG1-CB 4.23Å; I95-V108 HydrophobicContact CG1-CG2 3.62Å; V108-V244 WeakPolarHBondContact CA-O 3.3Å; V108-G249 WeakPolarHBondContact CG1-O 3.48Å; V108-L257 HydrophobicContact CG2-CD1 3.27Å
109T94.7Very high83Confident5 Ų560 Ų603%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-144.2167.4178.6-1690000112.6N91 F121 M124 I243 V244 H245 G249N91-T109 PolarHBondContact O-OG1 3.3Å; T109-F121 HydrophobicContact CG2-CD2 4.47Å; T109-F121 HydrophobicContact CG2-CE2 4.18Å; T109-M124 HydrophobicContact CG2-CE 3.8Å; T109-I243 HydrophobicContact CG2-CG2 4.13Å; T109-V244 PolarHBondContact N-O 2.82Å; T109-V244 VanDerWaalsContact N-O 3.08Å; T109-H245 HydrophobicContact CG2-CB 3.59Å; T109-H245 VanDerWaalsContact O-CA 3.29Å; T109-H245 WeakPolarHBondContact O-CA 3.48Å; T109-H245 WeakPolarHBondContact O-CB 3.43Å; T109-G249 WeakPolarHBondContact O-CA 3.45Å
110Q93.9Very high85.4Confident16 Ų1659.3 Ų59.38%0.07529%0.293CS..PPolyproline II helixtrans-80.5166.8175.761.9178.8-9.600112.5K62 N64 N91K62-Q110 PolarHBondContact O-NE2 3.37Å; N64-Q110 VanDerWaalsContact CG-OE1 3.23Å; N64-Q110 PolarHBondContact ND2-OE1 3.25Å; N91-Q110 HydrophobicContact CB-CG 4.17Å; N91-Q110 VanDerWaalsContact CB-NE2 3.33Å
111A94.7Very high87.7Confident2 Ų250 Ų502%0.01725%0.252CS..PPolyproline II helixtrans-61147.7172.900000111.9N64 K113 M146 C147 C246 S247N64-A111 PolarHBondContact ND2-O 2.91Å; A111-K113 PolarHBondContact O-N 2.9Å; A111-M146 WeakPolarHBondContact CB-O 3.28Å; A111-C147 HydrophobicContact CB-CB 3.8Å; A111-C246 VanDerWaalsContact CA-O 3.32Å; A111-C246 WeakPolarHBondContact CA-O 3.45Å; A111-C246 WeakPolarHBondContact CB-O 3.4Å; A111-C246 PolarHBondContact N-O 3.23Å; A111-S247 WeakPolarHBondContact CB-O 3.38Å; A111-S247 PolarHBondContact N-O 3.26Å
112V95.7Very high89.8Confident5 Ų543.8 Ų43.83%0.0322%0.224CC..PPolyproline II helixtrans-78.7117.6171.3-1800000109.2A117 C118 F121 C147 L148 Y150V112-A117 HydrophobicContact CG1-CB 3.92Å; V112-C118 HydrophobicContact CG1-CB 4.11Å; V112-C118 WeakPolarHBondContact CG1-SG 3.33Å; V112-F121 HydrophobicContact CG2-CB 3.79Å; V112-F121 HydrophobicContact CG2-CD2 3.92Å; V112-F121 HydrophobicContact CG2-CG 3.82Å; V112-C147 CarbonylContact O-C 3.59Å; V112-L148 PolarHBondContact O-N 2.89Å; V112-Y150 HydrophobicContact CB-CD1 4.21Å; V112-Y150 HydrophobicContact CG2-CD1 4.08Å; V112-Y150 HydrophobicContact CG2-CG 4.22Å
113K93.6Very high91.4Very high58 Ų5840.1 Ų40.125%0.25221%0.207SC..  trans-113.2-8.2-179.4-68.5-169.2-172173.30115.4N64 A111 M146 L148N64-K113 HydrophobicContact CB-CD 4.17Å; N64-K113 WeakPolarHBondContact OD1-CD 3.47Å; A111-K113 PolarHBondContact O-N 2.9Å; K113-M146 WeakPolarHBondContact CE-O 3.06Å; K113-L148 VanDerWaalsContact C-CD1 3.47Å; K113-L148 WeakPolarHBondContact O-CD1 3.47Å
114T93.3Very high93.1Very high73 Ų7335.5 Ų35.545%0.44818%0.177SC..SBendtrans-135158-179.170.90000110.9H116 A117 C118T114-H116 VanDerWaalsContact C-N 3.28Å; T114-H116 PolarHBondContact O-N 3.47Å; T114-A117 PolarHBondContact O-N 3.18Å; T114-A117 WeakPolarHBondContact OG1-CB 3.38Å; T114-A117 PolarHBondContact OG1-N 3.28Å; T114-A117 VanDerWaalsContact OG1-N 3.09Å; T114-C118 PolarHBondContact O-N 3.47Å; T114-C118 VanDerWaalsContact O-N 3.09Å; T114-C118 PolarHBondContact O-SG 3.29Å
115K93.4Very high94.4Very high178 Ų17830.1 Ų30.177%0.77415%0.153SC*.Hα-helixtrans-60.4-37.5175.9-67.8-176.5178.1-179.20112.3C118 V119K115-C118 WeakPolarHBondContact O-CB 3.41Å; K115-C118 PolarHBondContact O-N 3.02Å; K115-V119 PolarHBondContact O-N 3.38Å
116H92.4Very high95.1Very high156 Ų15630.7 Ų30.772%0.72215%0.154SC*.Hα-helixtrans-64.2-42.7174.8-70.7-75.6000111.7T114 C118 V119 D120T114-H116 VanDerWaalsContact C-N 3.28Å; T114-H116 PolarHBondContact O-N 3.47Å; H116-C118 PolarHBondContact O-N 2.98Å; H116-V119 WeakPolarHBondContact O-CB 3.38Å; H116-V119 PolarHBondContact O-N 2.99Å; H116-D120 PolarHBondContact O-N 3.46Å; H116-D120 VanDerWaalsContact O-N 3.1Å
117A94.4Very high95.4Very high28 Ų2833.1 Ų33.123%0.23117%0.165CC..Hα-helixtrans-63.3-28.7175.200000112.6V112 T114 V119 F121V112-A117 HydrophobicContact CG1-CB 3.92Å; T114-A117 PolarHBondContact O-N 3.18Å; T114-A117 WeakPolarHBondContact OG1-CB 3.38Å; T114-A117 PolarHBondContact OG1-N 3.28Å; T114-A117 VanDerWaalsContact OG1-N 3.09Å; A117-V119 VanDerWaalsContact C-N 3.32Å; A117-F121 WeakPolarHBondContact O-CB 3.43Å; A117-F121 PolarHBondContact O-N 3.43Å
118C96.3Very high95.4Very high8 Ų833.8 Ų33.85%0.05417%0.17CC..Hα-helixtrans-61.6-41.9171.4-60.50000111.5V112 T114 K115 H116 F121 W122 Y158V112-C118 HydrophobicContact CG1-CB 4.11Å; V112-C118 WeakPolarHBondContact CG1-SG 3.33Å; T114-C118 PolarHBondContact O-N 3.47Å; T114-C118 VanDerWaalsContact O-N 3.09Å; T114-C118 PolarHBondContact O-SG 3.29Å; K115-C118 WeakPolarHBondContact O-CB 3.41Å; K115-C118 PolarHBondContact O-N 3.02Å; H116-C118 PolarHBondContact O-N 2.98Å; C118-F121 PolarHBondContact O-N 2.92Å; C118-W122 PolarHBondContact O-N 3.26Å; C118-Y158 HydrophobicContact CB-CD1 3.74Å; C118-Y158 HydrophobicContact CB-CE1 3.97Å
119V96.6Very high95.5Very high38 Ų3838.7 Ų38.723%0.2319%0.19CC..Hα-helixtrans-66.4-47.4179.2-179.30000110.2K115 H116 A117 F121 W122 R123K115-V119 PolarHBondContact O-N 3.38Å; H116-V119 WeakPolarHBondContact O-CB 3.38Å; H116-V119 PolarHBondContact O-N 2.99Å; A117-V119 VanDerWaalsContact C-N 3.32Å; V119-F121 VanDerWaalsContact C-N 3.3Å; V119-F121 PolarHBondContact O-N 3.48Å; V119-W122 PolarHBondContact O-N 3.08Å; V119-R123 WeakPolarHBondContact O-CB 3.29Å; V119-R123 VanDerWaalsContact O-CG 3.31Å; V119-R123 WeakPolarHBondContact O-CG 3.48Å; V119-R123 PolarHBondContact O-N 3.41Å
120D96.7Very high95.5Very high20 Ų2038.5 Ų38.511%0.10719%0.189CC..Hα-helixtrans-62-37.9177-74.1-14.8000111.8K62 L78 I90 H116 R123 M124K62-D120 IonicContact NZ-OD2 3.94Å; K62-D120 PolarHBondContact NZ-OD2 3.12Å; K62-D120 VanDerWaalsContact NZ-OD2 3.12Å; L78-D120 HydrophobicContact CD1-CB 4.28Å; I90-D120 HydrophobicContact CD1-CB 4.25Å; H116-D120 PolarHBondContact O-N 3.46Å; H116-D120 VanDerWaalsContact O-N 3.1Å; D120-R123 PolarHBondContact O-N 3.46Å; D120-R123 IonicContact OD1-CZ 3.95Å; D120-R123 IonicContact OD1-NH1 2.81Å; D120-R123 PolarHBondContact OD1-NH1 3.34Å; D120-M124 PolarHBondContact O-N 2.97Å
121F98.1Very high95.6Very high3 Ų339.1 Ų39.11%0.01319%0.192CC..Hα-helixtrans-62-48.7174.9179.9-92.4000112.2T109 V112 A117 C118 V119 R123 M124 V125 V133 Y150 I243T109-F121 HydrophobicContact CG2-CD2 4.47Å; T109-F121 HydrophobicContact CG2-CE2 4.18Å; V112-F121 HydrophobicContact CG2-CB 3.79Å; V112-F121 HydrophobicContact CG2-CD2 3.92Å; V112-F121 HydrophobicContact CG2-CG 3.82Å; A117-F121 WeakPolarHBondContact O-CB 3.43Å; A117-F121 PolarHBondContact O-N 3.43Å; C118-F121 PolarHBondContact O-N 2.92Å; V119-F121 VanDerWaalsContact C-N 3.3Å; V119-F121 PolarHBondContact O-N 3.48Å; F121-R123 VanDerWaalsContact C-N 3.33Å; F121-R123 PolarHBondContact O-N 2.91Å; F121-M124 HydrophobicContact CD2-CE 3.94Å; F121-M124 HydrophobicContact CE2-CE 4.05Å; F121-M124 WeakPolarHBondContact O-CB 3.35Å; F121-M124 PolarHBondContact O-N 3.13Å; F121-V125 HydrophobicContact CD1-CG2 4.07Å; F121-V125 HydrophobicContact CE1-CG2 3.61Å; F121-V125 HydrophobicContact CZ-CG2 3.92Å; F121-V125 WeakPolarHBondContact O-CG2 3.29Å; F121-V125 PolarHBondContact O-N 3.31Å; F121-V133 HydrophobicContact CZ-CG1 3.88Å; F121-V133 HydrophobicContact CZ-CG2 4.35Å; F121-Y150 AromaticContact CD1-CD2 3.7Å; F121-Y150 HydrophobicContact CD1-CD2 3.7Å; F121-Y150 AromaticContact CD1-CE2 3.91Å; F121-Y150 HydrophobicContact CD1-CE2 3.91Å; F121-Y150 HydrophobicContact CD1-CG 4.37Å; F121-Y150 AromaticContact CE1-CD2 3.52Å; F121-Y150 HydrophobicContact CE1-CD2 3.52Å; F121-Y150 AromaticContact CE1-CE2 3.21Å; F121-Y150 HydrophobicContact CE1-CE2 3.21Å; F121-Y150 HydrophobicContact CE1-CG 4.44Å; F121-Y150 AromaticContact CE1-CZ 3.94Å; F121-Y150 HydrophobicContact CZ-CD2 4.33Å; F121-Y150 AromaticContact CZ-CE2 3.71Å; F121-Y150 HydrophobicContact CZ-CE2 3.71Å; F121-Y150 AromaticContact CZ-CZ 3.96Å; F121-I243 HydrophobicContact CE2-CG2 4.09Å; F121-I243 HydrophobicContact CZ-CG2 4.34Å
122W98Very high95.7Very high1 Ų139.4 Ų39.40%0.00419%0.193CC..Hα-helixtrans-70.1-29.9179-74.9115.2000113.2C118 V119 V125 W126 Y150 Y158 V161 V163 L179 I181 L203C118-W122 PolarHBondContact O-N 3.26Å; V119-W122 PolarHBondContact O-N 3.08Å; W122-V125 HydrophobicContact CE3-CB 4.02Å; W122-V125 HydrophobicContact CE3-CG1 4.06Å; W122-V125 HydrophobicContact CE3-CG2 4.11Å; W122-V125 HydrophobicContact CZ3-CB 4.42Å; W122-V125 HydrophobicContact CZ3-CG1 4.03Å; W122-V125 HydrophobicContact CZ3-CG2 4.36Å; W122-V125 PolarHBondContact O-N 2.99Å; W122-W126 VanDerWaalsContact O-CB 3.31Å; W122-W126 WeakPolarHBondContact O-CB 3.45Å; W122-W126 PolarHBondContact O-N 3.44Å; W122-Y150 AromaticContact CZ2-CD2 3.82Å; W122-Y150 HydrophobicContact CZ2-CD2 3.82Å; W122-Y150 HydrophobicContact CZ2-CE2 4.15Å; W122-Y150 PolarHBondContact NE1-O 3.5Å; W122-Y158 AromaticContact CD1-CD1 3.82Å; W122-Y158 AromaticContact CD1-CD2 3.54Å; W122-Y158 AromaticContact CD1-CG 3.38Å; W122-Y158 HydrophobicContact CG-CD2 4.31Å; W122-Y158 HydrophobicContact CG-CG 4.29Å; W122-Y158 AromaticContact NE1-CD2 3.59Å; W122-Y158 AromaticContact NE1-CE2 3.65Å; W122-Y158 AromaticContact NE1-CG 3.82Å; W122-Y158 AromaticContact NE1-CZ 3.92Å; W122-V161 HydrophobicContact CB-CB 4.35Å; W122-V161 HydrophobicContact CB-CG1 4.44Å; W122-V163 HydrophobicContact CD2-CG2 3.55Å; W122-V163 HydrophobicContact CE3-CG2 3.78Å; W122-V163 HydrophobicContact CG-CG2 4.08Å; W122-V163 HydrophobicContact CH2-CG1 3.69Å; W122-V163 HydrophobicContact CH2-CG2 4.05Å; W122-V163 HydrophobicContact CZ2-CB 4.34Å; W122-V163 HydrophobicContact CZ2-CG1 3.7Å; W122-V163 HydrophobicContact CZ2-CG2 3.84Å; W122-V163 HydrophobicContact CZ3-CG1 4.28Å; W122-V163 HydrophobicContact CZ3-CG2 4.01Å; W122-L179 HydrophobicContact CH2-CD1 3.78Å; W122-L179 HydrophobicContact CZ2-CD1 4.45Å; W122-I181 HydrophobicContact CE3-CG2 4.14Å; W122-I181 HydrophobicContact CH2-CG2 4.45Å; W122-I181 HydrophobicContact CZ3-CG2 3.69Å; W122-L203 HydrophobicContact CH2-CD2 4Å; W122-L203 HydrophobicContact CZ3-CD2 3.78Å
123R96.8Very high95.9Very high6 Ų639.2 Ų39.22%0.02319%0.192CC..Hα-helixtrans-60.8-46.9167.6-74.5172.160.3-141.6-1.7111L78 H79 S87 V119 D120 F121 V125 W126 E127L78-R123 HydrophobicContact CD1-CB 4.32Å; H79-R123 PolarHBondContact O-NH2 3.21Å; S87-R123 PolarHBondContact O-NH1 2.98Å; S87-R123 PolarHBondContact O-NH2 3.31Å; V119-R123 WeakPolarHBondContact O-CB 3.29Å; V119-R123 VanDerWaalsContact O-CG 3.31Å; V119-R123 WeakPolarHBondContact O-CG 3.48Å; V119-R123 PolarHBondContact O-N 3.41Å; D120-R123 PolarHBondContact O-N 3.46Å; D120-R123 IonicContact OD1-CZ 3.95Å; D120-R123 IonicContact OD1-NH1 2.81Å; D120-R123 PolarHBondContact OD1-NH1 3.34Å; F121-R123 VanDerWaalsContact C-N 3.33Å; F121-R123 PolarHBondContact O-N 2.91Å; R123-V125 PolarHBondContact O-N 3.32Å; R123-W126 PolarHBondContact O-N 2.73Å; R123-E127 WeakPolarHBondContact O-CB 3.46Å; R123-E127 VanDerWaalsContact O-CG 3.31Å; R123-E127 WeakPolarHBondContact O-CG 3.21Å; R123-E127 PolarHBondContact O-N 3.44Å
124M97.7Very high96.1Very high0 Ų036.4 Ų36.40%018%0.18CC..Hα-helixtrans-58.5-48.2175.2-178.6175.970.900112.2V76 L78 I90 A92 I107 T109 D120 F121 W126 E127 S128 I243V76-M124 HydrophobicContact CG1-CG 4.1Å; V76-M124 HydrophobicContact CG1-SD 4.25Å; V76-M124 HydrophobicContact CG2-SD 4.38Å; L78-M124 HydrophobicContact CD2-CB 3.81Å; L78-M124 HydrophobicContact CD2-CG 4.37Å; I90-M124 HydrophobicContact CD1-CB 4.04Å; I90-M124 HydrophobicContact CD1-CE 4.21Å; I90-M124 HydrophobicContact CD1-SD 3.84Å; I90-M124 HydrophobicContact CG2-SD 4.35Å; A92-M124 HydrophobicContact CB-CE 4.43Å; A92-M124 HydrophobicContact CB-SD 3.52Å; A92-M124 VanDerWaalsContact CB-SD 3.52Å; I107-M124 HydrophobicContact CG2-CE 4.24Å; I107-M124 HydrophobicContact CG2-SD 3.82Å; T109-M124 HydrophobicContact CG2-CE 3.8Å; D120-M124 PolarHBondContact O-N 2.97Å; F121-M124 HydrophobicContact CD2-CE 3.94Å; F121-M124 HydrophobicContact CE2-CE 4.05Å; F121-M124 WeakPolarHBondContact O-CB 3.35Å; F121-M124 PolarHBondContact O-N 3.13Å; M124-W126 VanDerWaalsContact C-N 3.3Å; M124-W126 PolarHBondContact O-N 3.11Å; M124-E127 PolarHBondContact O-N 3.48Å; M124-S128 VanDerWaalsContact O-CB 3.24Å; M124-S128 WeakPolarHBondContact O-CB 3.14Å; M124-S128 PolarHBondContact O-N 3.36Å; M124-S128 PolarHBondContact O-OG 2.86Å; M124-I243 HydrophobicContact CE-CD1 3.96Å; M124-I243 HydrophobicContact CE-CG1 4.44Å; M124-I243 HydrophobicContact CE-CG2 4.08Å; M124-I243 HydrophobicContact CG-CD1 4.38Å
125V97.8Very high96.3Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-57.7-45176.71740000110.6F121 W122 R123 S128 K129 C130 V133 I181 L203 I243F121-V125 HydrophobicContact CD1-CG2 4.07Å; F121-V125 HydrophobicContact CE1-CG2 3.61Å; F121-V125 HydrophobicContact CZ-CG2 3.92Å; F121-V125 WeakPolarHBondContact O-CG2 3.29Å; F121-V125 PolarHBondContact O-N 3.31Å; W122-V125 HydrophobicContact CE3-CB 4.02Å; W122-V125 HydrophobicContact CE3-CG1 4.06Å; W122-V125 HydrophobicContact CE3-CG2 4.11Å; W122-V125 HydrophobicContact CZ3-CB 4.42Å; W122-V125 HydrophobicContact CZ3-CG1 4.03Å; W122-V125 HydrophobicContact CZ3-CG2 4.36Å; W122-V125 PolarHBondContact O-N 2.99Å; R123-V125 PolarHBondContact O-N 3.32Å; V125-S128 PolarHBondContact O-OG 3.13Å; V125-K129 PolarHBondContact O-N 3.16Å; V125-C130 HydrophobicContact CG1-CB 4.32Å; V125-C130 PolarHBondContact O-N 2.96Å; V125-V133 HydrophobicContact CG2-CG2 4.19Å; V125-I181 HydrophobicContact CG1-CD1 4.07Å; V125-L203 HydrophobicContact CG1-CD1 4.16Å; V125-L203 HydrophobicContact CG1-CD2 4.29Å; V125-I243 HydrophobicContact CB-CD1 4.29Å; V125-I243 HydrophobicContact CG2-CD1 3.65Å
126W96.7Very high96.4Very high20 Ų2024.5 Ų24.58%0.07612%0.122CC..Hα-helixtrans-67.5-47.1-179.7-175.5-86000113.1W122 R123 M124 K129 V161 I181 R183 V199 R201W122-W126 VanDerWaalsContact O-CB 3.31Å; W122-W126 WeakPolarHBondContact O-CB 3.45Å; W122-W126 PolarHBondContact O-N 3.44Å; R123-W126 PolarHBondContact O-N 2.73Å; M124-W126 VanDerWaalsContact C-N 3.3Å; M124-W126 PolarHBondContact O-N 3.11Å; W126-K129 PolarHBondContact O-N 2.95Å; W126-V161 HydrophobicContact CB-CG2 4.09Å; W126-V161 HydrophobicContact CD2-CG2 4.45Å; W126-V161 HydrophobicContact CE3-CG1 4.32Å; W126-V161 HydrophobicContact CE3-CG2 4.48Å; W126-V161 HydrophobicContact CG-CG2 4.28Å; W126-I181 HydrophobicContact CE3-CD1 3.9Å; W126-I181 HydrophobicContact CE3-CG1 4.11Å; W126-I181 HydrophobicContact CZ3-CD1 4.28Å; W126-I181 HydrophobicContact CZ3-CG1 4.04Å; W126-R183 VanDerWaalsContact CD1-NH1 3.27Å; W126-R183 HydrophobicContact CD2-CB 3.97Å; W126-R183 HydrophobicContact CE3-CB 4.06Å; W126-R183 HydrophobicContact CH2-CB 3.51Å; W126-R183 HydrophobicContact CZ2-CB 3.38Å; W126-R183 HydrophobicContact CZ2-CG 4.31Å; W126-R183 HydrophobicContact CZ3-CB 3.85Å; W126-R183 VanDerWaalsContact NE1-CD 3.31Å; W126-V199 HydrophobicContact CH2-CB 3.92Å; W126-V199 HydrophobicContact CH2-CG1 3.92Å; W126-V199 WeakPolarHBondContact CH2-O 3.27Å; W126-V199 HydrophobicContact CZ2-CB 4.07Å; W126-V199 HydrophobicContact CZ2-CG1 4.11Å; W126-R201 PolarHBondContact O-NH1 3.22Å
127E95.7Very high96.4Very high62 Ų6217.1 Ų17.129%0.299%0.088SC..Hα-helixtrans-70.5-39-175.9-71.4177.2-157.300111.9L78 H79 R123 M124 K129L78-E127 WeakPolarHBondContact CA-OE2 3.49Å; H79-E127 PolarHBondContact N-OE2 2.85Å; R123-E127 WeakPolarHBondContact O-CB 3.46Å; R123-E127 VanDerWaalsContact O-CG 3.31Å; R123-E127 WeakPolarHBondContact O-CG 3.21Å; R123-E127 PolarHBondContact O-N 3.44Å; M124-E127 PolarHBondContact O-N 3.48Å; E127-K129 PolarHBondContact O-N 3.29Å
128S94.7Very high96.3Very high15 Ų1517.9 Ų17.911%0.1059%0.086CC..Hα-helixtrans-73.3-10.5175.463.10000114M124 V125 C130 P241M124-S128 VanDerWaalsContact O-CB 3.24Å; M124-S128 WeakPolarHBondContact O-CB 3.14Å; M124-S128 PolarHBondContact O-N 3.36Å; M124-S128 PolarHBondContact O-OG 2.86Å; V125-S128 PolarHBondContact O-OG 3.13Å; S128-C130 PolarHBondContact O-N 3.43Å; S128-C130 WeakPolarHBondContact OG-CB 3.36Å; S128-C130 PolarHBondContact OG-N 2.95Å; S128-P241 WeakPolarHBondContact O-CD 3.31Å
129K94.5Very high96.1Very high118 Ų11818.7 Ų18.751%0.5139%0.09SC..THydrogen-bonded Turntrans56.626.6-172.5-48.8176.1-176.2172.50113V125 W126 E127 E131 V240V125-K129 PolarHBondContact O-N 3.16Å; W126-K129 PolarHBondContact O-N 2.95Å; E127-K129 PolarHBondContact O-N 3.29Å; K129-E131 PolarHBondContact O-N 3.29Å; K129-V240 HydrophobicContact CB-CG1 4.07Å
130C95.1Very high95.7Very high2 Ų223.1 Ų23.11%0.01411%0.107CC..  trans-55131.1177172.30000110.8V125 S128 I132 L203 P241 I243V125-C130 HydrophobicContact CG1-CB 4.32Å; V125-C130 PolarHBondContact O-N 2.96Å; S128-C130 PolarHBondContact O-N 3.43Å; S128-C130 WeakPolarHBondContact OG-CB 3.36Å; S128-C130 PolarHBondContact OG-N 2.95Å; C130-I132 VanDerWaalsContact SG-C 3.56Å; C130-I132 PolarHBondContact SG-O 2.79Å; C130-L203 WeakPolarHBondContact O-CD1 3.21Å; C130-P241 WeakPolarHBondContact CB-O 3.28Å; C130-P241 PolarHBondContact SG-O 3.3Å; C130-P241 VanDerWaalsContact SG-O 3.38Å; C130-I243 HydrophobicContact CB-CD1 3.59Å; C130-I243 HydrophobicContact CB-CG1 4.01Å; C130-I243 VanDerWaalsContact SG-CD1 3.56Å; C130-I243 VanDerWaalsContact SG-CG1 3.58Å
131E95.7Very high94.9Very high28 Ų2823.5 Ų23.513%0.13111%0.109CC..  trans-107.4-11.1176.3-68.5-176.4-17400112K129 L203 H204 T236 R238 V240K129-E131 PolarHBondContact O-N 3.29Å; E131-L203 CarbonylContact O-C 3.44Å; E131-L203 VanDerWaalsContact O-CA 3.28Å; E131-L203 WeakPolarHBondContact O-CA 3.35Å; E131-L203 VanDerWaalsContact O-CD1 3.31Å; E131-L203 WeakPolarHBondContact O-CD1 3.39Å; E131-H204 PolarHBondContact O-N 3.49Å; E131-T236 HydrophobicContact CB-CG2 4.41Å; E131-T236 WeakPolarHBondContact OE2-CG2 3.45Å; E131-T236 PolarHBondContact OE2-OG1 2.59Å; E131-R238 WeakPolarHBondContact OE1-CD 3.44Å; E131-R238 IonicContact OE1-CZ 3.69Å; E131-R238 IonicContact OE1-NE 3.89Å; E131-R238 IonicContact OE1-NH1 3.96Å; E131-R238 PolarHBondContact OE1-NH1 3.39Å; E131-V240 HydrophobicContact CB-CG2 4.19Å; E131-V240 HydrophobicContact CG-CG2 4.1Å
132I97.2Very high94Very high9 Ų932.6 Ų32.65%0.04615%0.149CC..EExtended strand (participates in β ladder)trans-135.7121.1-178.8-58.3178.2000111.3C130 V134 H204 F206 I229 A232 V233 M242 I243C130-I132 VanDerWaalsContact SG-C 3.56Å; C130-I132 PolarHBondContact SG-O 2.79Å; I132-V134 HydrophobicContact CG2-CG2 4.17Å; I132-H204 WeakPolarHBondContact CA-O 3.23Å; I132-H204 HydrophobicContact CG1-CB 4.5Å; I132-F206 HydrophobicContact CG2-CD2 3.81Å; I132-F206 HydrophobicContact CG2-CE2 3.91Å; I132-I229 HydrophobicContact CG2-CG2 4.41Å; I132-A232 HydrophobicContact CD1-CB 4.06Å; I132-V233 HydrophobicContact CD1-CB 4.26Å; I132-V233 HydrophobicContact CD1-CG2 3.49Å; I132-V233 VanDerWaalsContact CD1-CG2 3.49Å; I132-M242 HydrophobicContact CB-CG 4.13Å; I132-M242 HydrophobicContact CG2-CE 4.4Å; I132-M242 HydrophobicContact CG2-CG 3.86Å; I132-M242 HydrophobicContact CG2-SD 4.38Å; I132-I243 PolarHBondContact O-N 2.88Å
133V98.4Very high93.1Very high0 Ų041.9 Ų41.90%019%0.194CC..EExtended strand (participates in β ladder)trans-113.7122.7172.8175.50000110F121 V125 Y150 L203 H204 H205 F206 I243F121-V133 HydrophobicContact CZ-CG1 3.88Å; F121-V133 HydrophobicContact CZ-CG2 4.35Å; V125-V133 HydrophobicContact CG2-CG2 4.19Å; V133-Y150 WeakPolarHBondContact CG1-OH 3.31Å; V133-L203 HydrophobicContact CG2-CD1 3.91Å; V133-L203 HydrophobicContact CG2-CD2 3.92Å; V133-L203 HydrophobicContact CG2-CG 4.35Å; V133-H204 PolarHBondContact N-O 2.89Å; V133-H205 CarbonylContact O-C 3.52Å; V133-H205 WeakPolarHBondContact O-CA 3.47Å; V133-F206 PolarHBondContact O-N 3.43Å; V133-I243 CarbonylContact C-O 3.59Å; V133-I243 WeakPolarHBondContact CA-O 3.21Å; V133-I243 HydrophobicContact CG2-CB 4.24Å
134V98.3Very high92.6Very high0 Ų047.2 Ų47.20%022%0.218CC..EExtended strand (participates in β ladder)trans-107.1120.6176-175.10000110.1I132 L136 F206 F225 I229 M242 I243 V244 H245 F256I132-V134 HydrophobicContact CG2-CG2 4.17Å; V134-L136 HydrophobicContact CG1-CD2 3.79Å; V134-L136 HydrophobicContact CG1-CG 4.04Å; V134-F206 CarbonylContact C-O 3.49Å; V134-F206 WeakPolarHBondContact CA-O 3.44Å; V134-F206 HydrophobicContact CG2-CB 4.42Å; V134-F225 HydrophobicContact CG1-CE1 3.65Å; V134-F225 HydrophobicContact CG1-CZ 3.96Å; V134-I229 HydrophobicContact CG1-CD1 4.05Å; V134-I229 HydrophobicContact CG2-CD1 3.72Å; V134-I229 HydrophobicContact CG2-CG1 4.35Å; V134-M242 HydrophobicContact CG2-CG 4.03Å; V134-M242 HydrophobicContact CG2-SD 3.6Å; V134-I243 PolarHBondContact N-O 3.02Å; V134-V244 HydrophobicContact CB-CB 4.47Å; V134-V244 HydrophobicContact CB-CG1 4.3Å; V134-V244 HydrophobicContact CB-CG2 4.11Å; V134-V244 HydrophobicContact CG1-CG1 4.4Å; V134-V244 HydrophobicContact CG2-CG2 4.38Å; V134-V244 CarbonylContact O-C 3.59Å; V134-V244 WeakPolarHBondContact O-CA 3.42Å; V134-H245 PolarHBondContact O-CD2 2.84Å; V134-H245 PolarHBondContact O-N 3.27Å; V134-F256 HydrophobicContact CG1-CD1 4.43Å; V134-F256 HydrophobicContact CG1-CE1 4.05Å; V134-F256 HydrophobicContact CG1-CZ 4.24Å; V134-F256 HydrophobicContact CG2-CE1 4.43Å
135M97.7Very high92.1Very high0 Ų050.3 Ų50.30%024%0.237CC..EExtended strand (participates in β ladder)trans-112.8117.5178.8175.2170.1-177.800110.1T137 V139 C147 Y150 W151 F206 H207 F208 H245M135-T137 HydrophobicContact CE-CG2 4Å; M135-T137 WeakPolarHBondContact CE-O 3.33Å; M135-T137 HydrophobicContact CG-CG2 4.43Å; M135-V139 HydrophobicContact CE-CG2 4.28Å; M135-C147 HydrophobicContact CE-CB 3.78Å; M135-Y150 HydrophobicContact SD-CE1 3.84Å; M135-W151 HydrophobicContact CE-CH2 3.83Å; M135-W151 HydrophobicContact CE-CZ3 3.86Å; M135-W151 HydrophobicContact SD-CE3 4.45Å; M135-W151 HydrophobicContact SD-CH2 3.6Å; M135-W151 VanDerWaalsContact SD-CH2 3.6Å; M135-W151 HydrophobicContact SD-CZ3 3.38Å; M135-W151 WeakPolarHBondContact SD-CZ3 3.34Å; M135-F206 PolarHBondContact N-O 2.8Å; M135-H207 HydrophobicContact CB-CB 4.35Å; M135-H207 CarbonylContact O-C 3.56Å; M135-H207 WeakPolarHBondContact O-CA 3.15Å; M135-F208 PolarHBondContact O-N 2.85Å; M135-H245 WeakPolarHBondContact CB-NE2 2.91Å; M135-H245 WeakPolarHBondContact CG-CE1 3.33Å
136L95.6Very high91.7Very high0 Ų050.7 Ų50.70%024%0.239CC..  trans-110.526.3-174.3-56.4170.9000112.7V134 F208 W211 F225 V244 H245 C246 R252 F256V134-L136 HydrophobicContact CG1-CD2 3.79Å; V134-L136 HydrophobicContact CG1-CG 4.04Å; L136-F208 HydrophobicContact CD2-CB 3.91Å; L136-W211 HydrophobicContact CB-CE3 4.11Å; L136-W211 HydrophobicContact CB-CZ3 4.27Å; L136-W211 HydrophobicContact CD1-CZ3 4.2Å; L136-W211 HydrophobicContact CD2-CE3 4.25Å; L136-W211 HydrophobicContact CD2-CZ3 4.07Å; L136-W211 HydrophobicContact CG-CZ3 4.41Å; L136-F225 HydrophobicContact CD2-CE1 3.83Å; L136-V244 HydrophobicContact CD1-CG1 3.79Å; L136-H245 PolarHBondContact N-O 2.87Å; L136-C246 HydrophobicContact CB-CB 4.06Å; L136-R252 HydrophobicContact CB-CB 4.26Å; L136-R252 WeakPolarHBondContact O-CD 3.36Å; L136-R252 PolarHBondContact O-NH1 3.33Å; L136-F256 HydrophobicContact CD1-CB 3.44Å; L136-F256 VanDerWaalsContact CD1-CB 3.44Å; L136-F256 HydrophobicContact CD1-CD1 4.11Å; L136-F256 HydrophobicContact CD1-CG 3.83Å; L136-F256 HydrophobicContact CD2-CD2 4.44Å; L136-F256 HydrophobicContact CD2-CG 4.35Å
137T92.8Very high91.6Very high1 Ų149.8 Ų49.81%0.00624%0.235CC..SBendtrans-138.2149.3177.4-172.40000112M135 C147 H207 R252M135-T137 HydrophobicContact CE-CG2 4Å; M135-T137 WeakPolarHBondContact CE-O 3.33Å; M135-T137 HydrophobicContact CG-CG2 4.43Å; T137-C147 HydrophobicContact CG2-CB 3.9Å; T137-H207 PolarHBondContact O-NE2 3.46Å; T137-R252 PolarHBondContact OG1-NH1 3.19Å
138K91.9Very high91.6Very high45 Ų4549.4 Ų49.420%0.19624%0.235CC..  trans-66158.1166.3-63.5177.9176.1178.30110.4F140 M146 T209K138-F140 WeakPolarHBondContact CB-O 3.43Å; K138-M146 WeakPolarHBondContact O-CB 3.35Å; K138-T209 WeakPolarHBondContact CE-O 3.48Å; K138-T209 WeakPolarHBondContact CG-O 3.4Å
139V91.9Very high91.6Very high24 Ų2452.9 Ų52.915%0.14525%0.25CC..SBendtrans-70.3-46.1169.3177.10000109.2M135 M146 C147 W151M135-V139 HydrophobicContact CE-CG2 4.28Å; V139-M146 PolarHBondContact O-N 3.19Å; V139-C147 CarbonylContact C-O 3.53Å; V139-C147 VanDerWaalsContact CA-O 3.26Å; V139-C147 WeakPolarHBondContact CA-O 3.16Å; V139-C147 WeakPolarHBondContact CG1-O 3.29Å; V139-C147 PolarHBondContact O-N 3.43Å; V139-C147 VanDerWaalsContact O-N 3.16Å; V139-W151 HydrophobicContact CG2-CH2 3.79Å; V139-W151 HydrophobicContact CG2-CZ2 4.38Å
140F88.2Confident91.8Very high132 Ų13247.3 Ų47.358%0.57923%0.225SC*.EExtended strand (participates in β ladder)trans-121.6139.8175.4-58.2-86.8000109.8K138 K144 V145K138-F140 WeakPolarHBondContact CB-O 3.43Å; F140-K144 WeakPolarHBondContact CA-O 3.32Å; F140-V145 HydrophobicContact CD1-CG2 4.04Å; F140-V145 HydrophobicContact CE1-CG2 3.79Å
141D80.3Confident91.9Very high27 Ų2747.5 Ų47.514%0.14423%0.226CC..EExtended strand (participates in β ladder)trans-126.9119.4164-16929.7000109.1M143 K144 M146 V213D141-M143 PolarHBondContact O-N 2.69Å; D141-K144 PolarHBondContact N-O 3.39Å; D141-K144 PolarHBondContact O-N 3.28Å; D141-M146 HydrophobicContact CB-CG 3.66Å; D141-M146 HydrophobicContact CB-SD 4.37Å; D141-V213 HydrophobicContact CB-CG2 4.24Å; D141-V213 WeakPolarHBondContact OD2-CG2 3.32Å
142F78.3Confident91.9Very high195 Ų19546.6 Ų46.686%0.85522%0.222SC*.THydrogen-bonded Turntrans46.9-111.3-167-60.9-85.7000112
143M80.5Confident91.9Very high195 Ų19552.8 Ų52.896%0.96126%0.255SS*.THydrogen-bonded Turntrans-98.62.3179.8-62.5-174.471.400113.6D141D141-M143 PolarHBondContact O-N 2.69Å
144K84.8Confident91.8Very high118 Ų11857.8 Ų57.851%0.51329%0.285SS..EExtended strand (participates in β ladder)trans-105.7130.1-173.3-171.4172.4178.6175.80111.4F140 D141 M146F140-K144 WeakPolarHBondContact CA-O 3.32Å; D141-K144 PolarHBondContact N-O 3.39Å; D141-K144 PolarHBondContact O-N 3.28Å; K144-M146 HydrophobicContact CB-SD 4.25Å; K144-M146 HydrophobicContact CD-SD 3.76Å; K144-M146 HydrophobicContact CG-SD 3.84Å; K144-M146 PolarHBondContact O-N 2.95Å
145V88.2Confident91.8Very high66 Ų6662.5 Ų62.540%0.431%0.307SS..EExtended strand (participates in β ladder)trans-73.1112.4167.2-171.60000108.2F140 L148F140-V145 HydrophobicContact CD1-CG2 4.04Å; F140-V145 HydrophobicContact CE1-CG2 3.79Å; V145-L148 HydrophobicContact CG1-CD2 4.09Å
146M89.4Confident91.8Very high8 Ų866.8 Ų66.84%0.03933%0.33CS..  trans-91.1-40.6-179.6-63.8-56.7-68.700110.9A111 K113 K138 V139 D141 K144 V213A111-M146 WeakPolarHBondContact CB-O 3.28Å; K113-M146 WeakPolarHBondContact CE-O 3.06Å; K138-M146 WeakPolarHBondContact O-CB 3.35Å; V139-M146 PolarHBondContact O-N 3.19Å; D141-M146 HydrophobicContact CB-CG 3.66Å; D141-M146 HydrophobicContact CB-SD 4.37Å; K144-M146 HydrophobicContact CB-SD 4.25Å; K144-M146 HydrophobicContact CD-SD 3.76Å; K144-M146 HydrophobicContact CG-SD 3.84Å; K144-M146 PolarHBondContact O-N 2.95Å; M146-V213 HydrophobicContact CE-CG2 3.89Å
147C94.2Very high91.8Very high0 Ų072.9 Ų72.90%036%0.358CS..SBendtrans-148.6141.7177.2-172.70000108.4A111 V112 M135 T137 V139A111-C147 HydrophobicContact CB-CB 3.8Å; V112-C147 CarbonylContact O-C 3.59Å; M135-C147 HydrophobicContact CE-CB 3.78Å; T137-C147 HydrophobicContact CG2-CB 3.9Å; V139-C147 CarbonylContact C-O 3.53Å; V139-C147 VanDerWaalsContact CA-O 3.26Å; V139-C147 WeakPolarHBondContact CA-O 3.16Å; V139-C147 WeakPolarHBondContact CG1-O 3.29Å; V139-C147 PolarHBondContact O-N 3.43Å; V139-C147 VanDerWaalsContact O-N 3.16Å
148L95.3Very high92Very high55 Ų5573.8 Ų73.829%0.28836%0.362SS..  trans-71.1150.6165.7-67.2-176.7000109.8V112 K113 V145 Y150V112-L148 PolarHBondContact O-N 2.89Å; K113-L148 VanDerWaalsContact C-CD1 3.47Å; K113-L148 WeakPolarHBondContact O-CD1 3.47Å; V145-L148 HydrophobicContact CG1-CD2 4.09Å; L148-Y150 VanDerWaalsContact C-N 3.33Å; L148-Y150 PolarHBondContact O-N 2.68Å
149Q96.1Very high92Very high88 Ų8873.7 Ų73.741%0.41137%0.373SS..  trans-70.893.5166.5-163-171.2-69.400108.6W151Q149-W151 VanDerWaalsContact C-N 3.25Å; Q149-W151 HydrophobicContact CG-CD2 3.66Å; Q149-W151 HydrophobicContact CG-CE3 4.04Å; Q149-W151 HydrophobicContact CG-CG 4.2Å; Q149-W151 HydrophobicContact CG-CH2 3.98Å; Q149-W151 HydrophobicContact CG-CZ2 3.58Å; Q149-W151 HydrophobicContact CG-CZ3 4.17Å; Q149-W151 WeakPolarHBondContact CG-O 3.32Å; Q149-W151 PolarHBondContact NE2-O 2.81Å; Q149-W151 PolarHBondContact O-N 2.93Å
150Y97.1Very high92.1Very high0 Ų075.6 Ų75.60%038%0.383CS..  trans-85.12.1-178.964.3-93.5000112.9V112 F121 W122 V133 M135 L148 Y158 H205 H245V112-Y150 HydrophobicContact CB-CD1 4.21Å; V112-Y150 HydrophobicContact CG2-CD1 4.08Å; V112-Y150 HydrophobicContact CG2-CG 4.22Å; F121-Y150 AromaticContact CD1-CD2 3.7Å; F121-Y150 HydrophobicContact CD1-CD2 3.7Å; F121-Y150 AromaticContact CD1-CE2 3.91Å; F121-Y150 HydrophobicContact CD1-CE2 3.91Å; F121-Y150 HydrophobicContact CD1-CG 4.37Å; F121-Y150 AromaticContact CE1-CD2 3.52Å; F121-Y150 HydrophobicContact CE1-CD2 3.52Å; F121-Y150 AromaticContact CE1-CE2 3.21Å; F121-Y150 HydrophobicContact CE1-CE2 3.21Å; F121-Y150 HydrophobicContact CE1-CG 4.44Å; F121-Y150 AromaticContact CE1-CZ 3.94Å; F121-Y150 HydrophobicContact CZ-CD2 4.33Å; F121-Y150 AromaticContact CZ-CE2 3.71Å; F121-Y150 HydrophobicContact CZ-CE2 3.71Å; F121-Y150 AromaticContact CZ-CZ 3.96Å; W122-Y150 AromaticContact CZ2-CD2 3.82Å; W122-Y150 HydrophobicContact CZ2-CD2 3.82Å; W122-Y150 HydrophobicContact CZ2-CE2 4.15Å; W122-Y150 PolarHBondContact NE1-O 3.5Å; V133-Y150 WeakPolarHBondContact CG1-OH 3.31Å; M135-Y150 HydrophobicContact SD-CE1 3.84Å; L148-Y150 VanDerWaalsContact C-N 3.33Å; L148-Y150 PolarHBondContact O-N 2.68Å; Y150-Y158 VanDerWaalsContact C-OH 3.31Å; Y150-Y158 PolarHBondContact O-OH 3.04Å; Y150-H205 AromaticContact CZ-NE2 3.61Å; Y150-H205 PolarHBondContact OH-CD2 2.75Å; Y150-H205 PolarHBondContact OH-NE2 2.66Å; Y150-H245 AromaticContact CE1-CE1 3.58Å; Y150-H245 AromaticContact CE1-NE2 3.47Å; Y150-H245 WeakPolarHBondContact CE1-NE2 3.29Å; Y150-H245 AromaticContact CZ-NE2 3.46Å; Y150-H245 PolarHBondContact OH-NE2 3.49Å
151W97.6Very high92.5Very high7 Ų769.3 Ų69.33%0.02736%0.355CS..SBendtrans-111.4147.5171.464.394.2000110.3M135 V139 Q149 R177 L179 H205 H207M135-W151 HydrophobicContact CE-CH2 3.83Å; M135-W151 HydrophobicContact CE-CZ3 3.86Å; M135-W151 HydrophobicContact SD-CE3 4.45Å; M135-W151 HydrophobicContact SD-CH2 3.6Å; M135-W151 VanDerWaalsContact SD-CH2 3.6Å; M135-W151 HydrophobicContact SD-CZ3 3.38Å; M135-W151 WeakPolarHBondContact SD-CZ3 3.34Å; V139-W151 HydrophobicContact CG2-CH2 3.79Å; V139-W151 HydrophobicContact CG2-CZ2 4.38Å; Q149-W151 VanDerWaalsContact C-N 3.25Å; Q149-W151 HydrophobicContact CG-CD2 3.66Å; Q149-W151 HydrophobicContact CG-CE3 4.04Å; Q149-W151 HydrophobicContact CG-CG 4.2Å; Q149-W151 HydrophobicContact CG-CH2 3.98Å; Q149-W151 HydrophobicContact CG-CZ2 3.58Å; Q149-W151 HydrophobicContact CG-CZ3 4.17Å; Q149-W151 WeakPolarHBondContact CG-O 3.32Å; Q149-W151 PolarHBondContact NE2-O 2.81Å; Q149-W151 PolarHBondContact O-N 2.93Å; W151-R177 VanDerWaalsContact NE1-CZ 3.29Å; W151-L179 HydrophobicContact CB-CD1 4.32Å; W151-H205 AromaticContact CD2-CE1 3.8Å; W151-H205 AromaticContact CE3-CE1 3.66Å; W151-H205 AromaticContact CZ3-CE1 3.91Å; W151-H207 AromaticContact CH2-CE1 3.8Å; W151-H207 AromaticContact CH2-ND1 3.76Å; W151-H207 AromaticContact CZ2-ND1 3.82Å
152P97Very high93.3Very high9 Ų969.3 Ų69.36%0.05836%0.357CS..  trans-82.316217830.9-30.2000112.3L156 V163 T165P152-L156 HydrophobicContact CB-CB 3.71Å; P152-L156 HydrophobicContact CG-CB 4.18Å; P152-V163 HydrophobicContact CG-CB 4.32Å; P152-V163 HydrophobicContact CG-CG1 4.19Å; P152-V163 VanDerWaalsContact CG-O 3.28Å; P152-V163 WeakPolarHBondContact CG-O 3.22Å; P152-T165 PolarHBondContact O-OG1 3.12Å
153L95.5Very high94.2Very high139 Ų13960 Ų6073%0.72832%0.316SS*.SBendtrans-72.3-35.4167.5-65.1179000111.6
154T97.1Very high95.1Very high105 Ų10554.1 Ų54.164%0.64429%0.286SS*.SBendtrans-125.8-74.3179.950.80000110.5Q164 T165T154-Q164 CarbonylContact O-C 3.58Å; T154-Q164 VanDerWaalsContact O-CA 3.28Å; T154-Q164 WeakPolarHBondContact O-CA 3.47Å; T154-Q164 WeakPolarHBondContact O-CG 3.07Å; T154-T165 PolarHBondContact O-N 2.78Å
155E97.7Very high95.7Very high98 Ų9849.6 Ų49.646%0.45827%0.268SS..EExtended strand (participates in β ladder)trans-148.7142.5178.3-171.6177-129.300110.2T162 V163 Q164 R198E155-T162 HydrophobicContact CG-CG2 3.7Å; E155-T162 WeakPolarHBondContact OE1-CG2 3.3Å; E155-V163 CarbonylContact C-O 3.53Å; E155-V163 VanDerWaalsContact CA-O 3.3Å; E155-V163 WeakPolarHBondContact CA-O 3.45Å; E155-V163 WeakPolarHBondContact CG-O 3.25Å; E155-Q164 HydrophobicContact CB-CB 4.4Å; E155-Q164 HydrophobicContact CB-CG 4.34Å; E155-Q164 HydrophobicContact CG-CB 4.21Å; E155-R198 IonicContact OE1-NH2 3.5Å
156L97.7Very high96.2Very high90 Ų9050.3 Ų50.347%0.47127%0.273SS..EExtended strand (participates in β ladder)trans-152.6146.4170.8-173.359.9000110.9P152 Y158 V163P152-L156 HydrophobicContact CB-CB 3.71Å; P152-L156 HydrophobicContact CG-CB 4.18Å; L156-Y158 HydrophobicContact CB-CE2 3.91Å; L156-Y158 HydrophobicContact CD2-CE1 3.95Å; L156-Y158 HydrophobicContact CD2-CE2 4.29Å; L156-Y158 HydrophobicContact CG-CE1 4.49Å; L156-Y158 HydrophobicContact CG-CE2 4.17Å; L156-V163 PolarHBondContact N-O 3.37Å; L156-V163 PolarHBondContact O-N 3.47Å
157Q96.6Very high96.5Very high129 Ų12953 Ų5360%0.60329%0.287SS*.EExtended strand (participates in β ladder)trans-93.7126.4175.3-174.3174.6-2.400111.1G159Q157-G159 VanDerWaalsContact CG-O 3.28Å; Q157-G159 WeakPolarHBondContact CG-O 3.45Å; Q157-G159 PolarHBondContact NE2-O 2.6Å
158Y96.1Very high96.6Very high19 Ų1955.7 Ų55.78%0.07531%0.306CS..EExtended strand (participates in β ladder)trans-116.493.1176.3-59.6-89.4000109C118 W122 Y150 L156 D160 V161 V163C118-Y158 HydrophobicContact CB-CD1 3.74Å; C118-Y158 HydrophobicContact CB-CE1 3.97Å; W122-Y158 AromaticContact CD1-CD1 3.82Å; W122-Y158 AromaticContact CD1-CD2 3.54Å; W122-Y158 AromaticContact CD1-CG 3.38Å; W122-Y158 HydrophobicContact CG-CD2 4.31Å; W122-Y158 HydrophobicContact CG-CG 4.29Å; W122-Y158 AromaticContact NE1-CD2 3.59Å; W122-Y158 AromaticContact NE1-CE2 3.65Å; W122-Y158 AromaticContact NE1-CG 3.82Å; W122-Y158 AromaticContact NE1-CZ 3.92Å; Y150-Y158 VanDerWaalsContact C-OH 3.31Å; Y150-Y158 PolarHBondContact O-OH 3.04Å; L156-Y158 HydrophobicContact CB-CE2 3.91Å; L156-Y158 HydrophobicContact CD2-CE1 3.95Å; L156-Y158 HydrophobicContact CD2-CE2 4.29Å; L156-Y158 HydrophobicContact CG-CE1 4.49Å; L156-Y158 HydrophobicContact CG-CE2 4.17Å; Y158-D160 PolarHBondContact O-N 2.79Å; Y158-V161 PolarHBondContact N-O 3.42Å; Y158-V161 PolarHBondContact O-N 3.43Å; Y158-V163 HydrophobicContact CD2-CB 4.12Å; Y158-V163 HydrophobicContact CD2-CG2 3.65Å; Y158-V163 HydrophobicContact CE2-CB 3.98Å; Y158-V163 HydrophobicContact CE2-CG2 3.95Å
159G93.3Very high96.7Very high43 Ų4357.4 Ų57.444%0.44331%0.311SS..THydrogen-bonded Turntrans65.1-118.9-171.100000110.8Q157Q157-G159 VanDerWaalsContact CG-O 3.28Å; Q157-G159 WeakPolarHBondContact CG-O 3.45Å; Q157-G159 PolarHBondContact NE2-O 2.6Å
160D92.3Very high96.6Very high64 Ų6457.1 Ų57.134%0.34232%0.315SS..THydrogen-bonded Turntrans-97.81.8178.264.3-14.9000114.1Y158 R183Y158-D160 PolarHBondContact O-N 2.79Å; D160-R183 WeakPolarHBondContact O-CG 3.17Å; D160-R183 IonicContact OD1-NE 2.97Å; D160-R183 IonicContact OD2-CZ 3.98Å; D160-R183 IonicContact OD2-NE 2.66Å; D160-R183 PolarHBondContact OD2-NE 3.43Å; D160-R183 IonicContact OD2-NH2 3.74Å; D160-R183 PolarHBondContact OD2-NH2 2.95Å
161V96.6Very high96.6Very high0 Ų057.5 Ų57.50%032%0.317CS..EExtended strand (participates in β ladder)trans-104119.7175.9-176.40000109.9W122 W126 Y158 V163 I181 S182W122-V161 HydrophobicContact CB-CB 4.35Å; W122-V161 HydrophobicContact CB-CG1 4.44Å; W126-V161 HydrophobicContact CB-CG2 4.09Å; W126-V161 HydrophobicContact CD2-CG2 4.45Å; W126-V161 HydrophobicContact CE3-CG1 4.32Å; W126-V161 HydrophobicContact CE3-CG2 4.48Å; W126-V161 HydrophobicContact CG-CG2 4.28Å; Y158-V161 PolarHBondContact N-O 3.42Å; Y158-V161 PolarHBondContact O-N 3.43Å; V161-V163 HydrophobicContact CG1-CG2 4.19Å; V161-I181 HydrophobicContact CG1-CB 4.25Å; V161-S182 WeakPolarHBondContact CA-O 3.42Å
162T97.6Very high96.4Very high28 Ų2857.4 Ų57.417%0.17232%0.318CS..EExtended strand (participates in β ladder)trans-91.3128.1169.6-550000109.4E155 I181 S182E155-T162 HydrophobicContact CG-CG2 3.7Å; E155-T162 WeakPolarHBondContact OE1-CG2 3.3Å; T162-I181 CarbonylContact O-C 3.5Å; T162-I181 WeakPolarHBondContact O-CA 3.35Å; T162-S182 PolarHBondContact N-O 2.67Å; T162-S182 PolarHBondContact O-N 3.2Å
163V98.4Very high96.4Very high0 Ų057.5 Ų57.50%032%0.317CS..EExtended strand (participates in β ladder)trans-115.6132.8179.9-176.90000108.5W122 P152 E155 L156 Y158 V161 L179 I181W122-V163 HydrophobicContact CD2-CG2 3.55Å; W122-V163 HydrophobicContact CE3-CG2 3.78Å; W122-V163 HydrophobicContact CG-CG2 4.08Å; W122-V163 HydrophobicContact CH2-CG1 3.69Å; W122-V163 HydrophobicContact CH2-CG2 4.05Å; W122-V163 HydrophobicContact CZ2-CB 4.34Å; W122-V163 HydrophobicContact CZ2-CG1 3.7Å; W122-V163 HydrophobicContact CZ2-CG2 3.84Å; W122-V163 HydrophobicContact CZ3-CG1 4.28Å; W122-V163 HydrophobicContact CZ3-CG2 4.01Å; P152-V163 HydrophobicContact CG-CB 4.32Å; P152-V163 HydrophobicContact CG-CG1 4.19Å; P152-V163 VanDerWaalsContact CG-O 3.28Å; P152-V163 WeakPolarHBondContact CG-O 3.22Å; E155-V163 CarbonylContact C-O 3.53Å; E155-V163 VanDerWaalsContact CA-O 3.3Å; E155-V163 WeakPolarHBondContact CA-O 3.45Å; E155-V163 WeakPolarHBondContact CG-O 3.25Å; L156-V163 PolarHBondContact N-O 3.37Å; L156-V163 PolarHBondContact O-N 3.47Å; Y158-V163 HydrophobicContact CD2-CB 4.12Å; Y158-V163 HydrophobicContact CD2-CG2 3.65Å; Y158-V163 HydrophobicContact CE2-CB 3.98Å; Y158-V163 HydrophobicContact CE2-CG2 3.95Å; V161-V163 HydrophobicContact CG1-CG2 4.19Å; V163-L179 HydrophobicContact CG1-CD1 4.39Å; V163-I181 HydrophobicContact CG1-CG2 4.29Å; V163-I181 HydrophobicContact CG2-CG2 4.1Å
164Q98.2Very high96.4Very high70 Ų7051 Ų5133%0.32728%0.283SS..EExtended strand (participates in β ladder)trans-127.3136.1177.6-176.3-175.61000109.7T154 E155 L179 K180T154-Q164 CarbonylContact O-C 3.58Å; T154-Q164 VanDerWaalsContact O-CA 3.28Å; T154-Q164 WeakPolarHBondContact O-CA 3.47Å; T154-Q164 WeakPolarHBondContact O-CG 3.07Å; E155-Q164 HydrophobicContact CB-CB 4.4Å; E155-Q164 HydrophobicContact CB-CG 4.34Å; E155-Q164 HydrophobicContact CG-CB 4.21Å; Q164-L179 CarbonylContact O-C 3.52Å; Q164-L179 VanDerWaalsContact O-CA 3.27Å; Q164-L179 WeakPolarHBondContact O-CA 3.36Å; Q164-K180 HydrophobicContact CB-CB 4.35Å; Q164-K180 PolarHBondContact N-O 3.1Å; Q164-K180 PolarHBondContact O-N 3.07Å
165T98.5Very high96.5Very high23 Ų2346.4 Ų46.414%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-89.7116.6170.4-610000108.6P152 T154 L179P152-T165 PolarHBondContact O-OG1 3.12Å; T154-T165 PolarHBondContact O-N 2.78Å; T165-L179 HydrophobicContact CG2-CD2 4.06Å; T165-L179 VanDerWaalsContact OG1-CD2 3.25Å; T165-L179 WeakPolarHBondContact OG1-CD2 3.24Å
166V97.7Very high96.5Very high82 Ų8242.8 Ų42.850%0.49724%0.238SC..EExtended strand (participates in β ladder)trans-90.7-48.1-176.9-1790000110.7Q178 K180V166-Q178 HydrophobicContact CB-CB 4.44Å; V166-Q178 WeakPolarHBondContact CB-O 3.21Å; V166-Q178 PolarHBondContact N-O 3.34Å; V166-K180 HydrophobicContact CG2-CB 3.8Å
167D96.7Very high96.5Very high64 Ų6439.8 Ų39.834%0.34222%0.221SC..EExtended strand (participates in β ladder)trans-143155.5178.4-175.334000110.4K169 R177 Q178D167-K169 WeakPolarHBondContact OD2-CE 3.45Å; D167-R177 CarbonylContact O-C 3.52Å; D167-R177 VanDerWaalsContact O-CA 3.29Å; D167-R177 WeakPolarHBondContact O-CA 3.49Å; D167-Q178 HydrophobicContact CB-CB 4.25Å; D167-Q178 PolarHBondContact N-O 3.45Å; D167-Q178 PolarHBondContact O-N 2.9Å
168S96.5Very high96.5Very high56 Ų5637.7 Ų37.739%0.39221%0.211SC..EExtended strand (participates in β ladder)trans-147.2118.2177.5-179.70000110.8I176S168-I176 CarbonylContact C-O 3.58Å; S168-I176 WeakPolarHBondContact CA-O 3.32Å
169K95.8Very high96.7Very high91 Ų9136.8 Ų36.840%0.39621%0.207SC..EExtended strand (participates in β ladder)trans-108.2124.4175.6-61.4-179.5-176179.70110.1D167 F171 T175 I176 V563D167-K169 WeakPolarHBondContact OD2-CE 3.45Å; K169-F171 HydrophobicContact CB-CE2 3.67Å; K169-F171 HydrophobicContact CB-CZ 3.81Å; K169-F171 HydrophobicContact CD-CZ 4.45Å; K169-T175 CarbonylContact O-C 3.55Å; K169-T175 WeakPolarHBondContact O-CA 3.37Å; K169-T175 WeakPolarHBondContact O-CG2 3.33Å; K169-I176 PolarHBondContact N-O 3Å; K169-I176 PolarHBondContact O-N 3.49Å; K169-V563 HydrophobicContact CD-CG1 4.47Å
170T95Very high96.9Very high83 Ų8337.3 Ų37.351%0.50920%0.198SC..EExtended strand (participates in β ladder)trans-105.1130.2-180-56.70000110.5
171F95.9Very high97.1Very high7 Ų734.3 Ų34.33%0.03118%0.182CC..  trans-119.4171.1176.1-53.6-84.9000109.7K169 Y173 F174 I176 F400 K401 V563 E564K169-F171 HydrophobicContact CB-CE2 3.67Å; K169-F171 HydrophobicContact CB-CZ 3.81Å; K169-F171 HydrophobicContact CD-CZ 4.45Å; F171-Y173 PolarHBondContact O-N 2.98Å; F171-F174 CarbonylContact C-O 3.51Å; F171-F174 WeakPolarHBondContact CA-O 3.31Å; F171-F174 HydrophobicContact CB-CD2 3.99Å; F171-F174 HydrophobicContact CB-CE2 3.75Å; F171-F174 HydrophobicContact CB-CG 4.49Å; F171-F174 HydrophobicContact CB-CZ 4.06Å; F171-F174 WeakPolarHBondContact CB-O 3.36Å; F171-F174 HydrophobicContact CD1-CE2 4.38Å; F171-F174 AromaticContact CD2-CD2 3.5Å; F171-F174 HydrophobicContact CD2-CD2 3.5Å; F171-F174 VanDerWaalsContact CD2-CD2 3.5Å; F171-F174 AromaticContact CD2-CE2 3.25Å; F171-F174 HydrophobicContact CD2-CE2 3.25Å; F171-F174 HydrophobicContact CD2-CZ 4.26Å; F171-F174 HydrophobicContact CE2-CD2 4.33Å; F171-F174 AromaticContact CE2-CE2 3.93Å; F171-F174 HydrophobicContact CE2-CE2 3.93Å; F171-F174 HydrophobicContact CG-CD2 4.01Å; F171-F174 AromaticContact CG-CE2 3.52Å; F171-F174 HydrophobicContact CG-CE2 3.52Å; F171-F174 HydrophobicContact CG-CZ 4.11Å; F171-F174 PolarHBondContact N-O 2.92Å; F171-I176 HydrophobicContact CD2-CD1 4.49Å; F171-I176 HydrophobicContact CD2-CG1 4.43Å; F171-I176 HydrophobicContact CE2-CB 4.4Å; F171-I176 HydrophobicContact CE2-CD1 3.82Å; F171-I176 HydrophobicContact CE2-CG1 4Å; F171-F400 WeakPolarHBondContact CA-O 3.46Å; F171-F400 AromaticContact CD1-CE1 3.89Å; F171-F400 HydrophobicContact CD1-CE1 3.89Å; F171-F400 AromaticContact CD1-CE2 3.91Å; F171-F400 HydrophobicContact CD1-CE2 3.91Å; F171-F400 AromaticContact CD1-CZ 3.55Å; F171-F400 HydrophobicContact CD1-CZ 3.55Å; F171-F400 AromaticContact CE1-CE1 3.77Å; F171-F400 HydrophobicContact CE1-CE1 3.77Å; F171-F400 HydrophobicContact CE1-CE2 4.2Å; F171-F400 AromaticContact CE1-CZ 3.44Å; F171-F400 HydrophobicContact CE1-CZ 3.44Å; F171-F400 VanDerWaalsContact CE1-CZ 3.44Å; F171-K401 CarbonylContact C-O 3.51Å; F171-K401 VanDerWaalsContact C-O 3.27Å; F171-V563 HydrophobicContact CE1-CG1 4.14Å; F171-V563 HydrophobicContact CZ-CG1 4.36Å; F171-E564 WeakPolarHBondContact CE1-OE1 3.41Å; F171-E564 VanDerWaalsContact CZ-OE1 3.29Å; F171-E564 WeakPolarHBondContact CZ-OE1 3.41Å
172A94.7Very high97.1Very high6 Ų634.5 Ų34.55%0.0518%0.183CC..SBendtrans-59-34.2-177.200000114E210 G399 F400A172-E210 WeakPolarHBondContact O-CG 3.21Å; A172-G399 VanDerWaalsContact CB-O 3.23Å; A172-G399 WeakPolarHBondContact CB-O 3.36Å; A172-F400 PolarHBondContact N-O 3.42Å
173Y95.9Very high96.9Very high11 Ų1136.4 Ų36.44%0.04319%0.187CC..SBendtrans-115.5-12.7-173.8-55.1-75.4000114.7F171 T209 E210 Y218 A221 D398 I575F171-Y173 PolarHBondContact O-N 2.98Å; Y173-T209 PolarHBondContact O-N 2.94Å; Y173-T209 PolarHBondContact O-OG1 3.23Å; Y173-T209 VanDerWaalsContact O-OG1 3.07Å; Y173-E210 HydrophobicContact CD1-CB 3.87Å; Y173-E210 HydrophobicContact CD1-CG 4.15Å; Y173-E210 PolarHBondContact O-N 2.69Å; Y173-E210 VanDerWaalsContact O-N 3.16Å; Y173-Y218 AromaticContact CE1-CD2 3.84Å; Y173-Y218 HydrophobicContact CE1-CD2 3.84Å; Y173-Y218 HydrophobicContact CE1-CE2 4.25Å; Y173-A221 HydrophobicContact CD1-CB 4.05Å; Y173-A221 HydrophobicContact CD2-CB 3.58Å; Y173-A221 HydrophobicContact CE1-CB 4.43Å; Y173-A221 HydrophobicContact CE2-CB 4.01Å; Y173-A221 HydrophobicContact CG-CB 3.6Å; Y173-D398 PolarHBondContact OH-OD2 3.4Å; Y173-I575 HydrophobicContact CE2-CD1 4.12Å
174F97.1Very high96.4Very high1 Ų140.4 Ų40.40%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-156.3165.7-176.151.8-97.3000112.2F171 I176 H207 F208 T209 D224 F225 R228F171-F174 CarbonylContact C-O 3.51Å; F171-F174 WeakPolarHBondContact CA-O 3.31Å; F171-F174 HydrophobicContact CB-CD2 3.99Å; F171-F174 HydrophobicContact CB-CE2 3.75Å; F171-F174 HydrophobicContact CB-CG 4.49Å; F171-F174 HydrophobicContact CB-CZ 4.06Å; F171-F174 WeakPolarHBondContact CB-O 3.36Å; F171-F174 HydrophobicContact CD1-CE2 4.38Å; F171-F174 AromaticContact CD2-CD2 3.5Å; F171-F174 HydrophobicContact CD2-CD2 3.5Å; F171-F174 VanDerWaalsContact CD2-CD2 3.5Å; F171-F174 AromaticContact CD2-CE2 3.25Å; F171-F174 HydrophobicContact CD2-CE2 3.25Å; F171-F174 HydrophobicContact CD2-CZ 4.26Å; F171-F174 HydrophobicContact CE2-CD2 4.33Å; F171-F174 AromaticContact CE2-CE2 3.93Å; F171-F174 HydrophobicContact CE2-CE2 3.93Å; F171-F174 HydrophobicContact CG-CD2 4.01Å; F171-F174 AromaticContact CG-CE2 3.52Å; F171-F174 HydrophobicContact CG-CE2 3.52Å; F171-F174 HydrophobicContact CG-CZ 4.11Å; F171-F174 PolarHBondContact N-O 2.92Å; F174-I176 HydrophobicContact CD2-CD1 4.33Å; F174-I176 HydrophobicContact CD2-CG1 4.12Å; F174-I176 HydrophobicContact CE2-CD1 4.14Å; F174-I176 HydrophobicContact CE2-CG1 4.41Å; F174-H207 CarbonylContact C-O 3.6Å; F174-H207 WeakPolarHBondContact CA-O 3.31Å; F174-H207 WeakPolarHBondContact CB-O 3.22Å; F174-F208 HydrophobicContact CB-CD2 4.31Å; F174-F208 HydrophobicContact CD1-CD2 4.33Å; F174-F208 HydrophobicContact CD1-CE2 4.31Å; F174-T209 PolarHBondContact N-OG1 2.94Å; F174-D224 VanDerWaalsContact CZ-OD2 3.28Å; F174-D224 WeakPolarHBondContact CZ-OD2 3.33Å; F174-F225 HydrophobicContact CB-CD2 3.63Å; F174-F225 HydrophobicContact CB-CE2 3.71Å; F174-F225 HydrophobicContact CD1-CB 3.92Å; F174-F225 AromaticContact CD1-CD2 3.69Å; F174-F225 HydrophobicContact CD1-CD2 3.69Å; F174-F225 HydrophobicContact CD1-CG 4.21Å; F174-F225 AromaticContact CD2-CD2 3.83Å; F174-F225 HydrophobicContact CD2-CD2 3.83Å; F174-F225 HydrophobicContact CD2-CE2 4.33Å; F174-F225 HydrophobicContact CE1-CB 4.05Å; F174-F225 HydrophobicContact CE1-CD2 4.33Å; F174-F225 HydrophobicContact CE2-CD2 4.46Å; F174-F225 AromaticContact CG-CD2 3.43Å; F174-F225 HydrophobicContact CG-CD2 3.43Å; F174-F225 VanDerWaalsContact CG-CD2 3.43Å; F174-F225 AromaticContact CG-CE2 3.99Å; F174-F225 HydrophobicContact CG-CE2 3.99Å; F174-F225 HydrophobicContact CG-CG 4.37Å; F174-R228 VanDerWaalsContact CE2-CD 3.4Å; F174-R228 VanDerWaalsContact CZ-CD 3.41Å
175T97.5Very high95.4Very high9 Ų938.2 Ų38.26%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-126.3137173.9-55.70000108.7K169 R177 H207K169-T175 CarbonylContact O-C 3.55Å; K169-T175 WeakPolarHBondContact O-CA 3.37Å; K169-T175 WeakPolarHBondContact O-CG2 3.33Å; T175-R177 HydrophobicContact CG2-CG 4.14Å; T175-H207 PolarHBondContact N-O 2.94Å; T175-H207 PolarHBondContact O-N 2.92Å
176I98Very high94Very high22 Ų2242.1 Ų42.111%0.11323%0.231CC..EExtended strand (participates in β ladder)trans-113.7127.2175.7-56.6176.9000107.6S168 K169 F171 F174 H205 F206 R228S168-I176 CarbonylContact C-O 3.58Å; S168-I176 WeakPolarHBondContact CA-O 3.32Å; K169-I176 PolarHBondContact N-O 3Å; K169-I176 PolarHBondContact O-N 3.49Å; F171-I176 HydrophobicContact CD2-CD1 4.49Å; F171-I176 HydrophobicContact CD2-CG1 4.43Å; F171-I176 HydrophobicContact CE2-CB 4.4Å; F171-I176 HydrophobicContact CE2-CD1 3.82Å; F171-I176 HydrophobicContact CE2-CG1 4Å; F174-I176 HydrophobicContact CD2-CD1 4.33Å; F174-I176 HydrophobicContact CD2-CG1 4.12Å; F174-I176 HydrophobicContact CE2-CD1 4.14Å; F174-I176 HydrophobicContact CE2-CG1 4.41Å; I176-H205 CarbonylContact C-O 3.57Å; I176-H205 WeakPolarHBondContact CA-O 3.5Å; I176-F206 HydrophobicContact CD1-CD1 3.92Å; I176-F206 HydrophobicContact CD1-CE1 3.66Å; I176-F206 HydrophobicContact CG1-CD1 3.73Å; I176-F206 HydrophobicContact CG1-CE1 3.93Å; I176-F206 HydrophobicContact CG2-CD1 4.18Å; I176-F206 HydrophobicContact CG2-CE1 3.95Å; I176-F206 HydrophobicContact CG2-CZ 4.36Å; I176-R228 HydrophobicContact CD1-CB 4.01Å; I176-R228 HydrophobicContact CD1-CG 4.34Å
177R98.1Very high92.3Very high28 Ų2846.4 Ų46.411%0.10625%0.245CC..EExtended strand (participates in β ladder)trans-120.6137.9177.2-49.3-179.6-178.185.53110.2W151 D167 T175 L179 H205 H207W151-R177 VanDerWaalsContact NE1-CZ 3.29Å; D167-R177 CarbonylContact O-C 3.52Å; D167-R177 VanDerWaalsContact O-CA 3.29Å; D167-R177 WeakPolarHBondContact O-CA 3.49Å; T175-R177 HydrophobicContact CG2-CG 4.14Å; R177-L179 HydrophobicContact CB-CD2 4Å; R177-L179 HydrophobicContact CB-CG 4.42Å; R177-H205 HydrophobicContact CB-CB 4.18Å; R177-H205 PolarHBondContact N-O 3.08Å; R177-H205 PolarHBondContact NH1-CE1 3.24Å; R177-H205 PolarHBondContact NH1-ND1 3.4Å; R177-H205 PolarHBondContact O-N 2.85Å; R177-H207 PolarHBondContact NH1-ND1 3.49Å
178Q97.8Very high90.2Very high84 Ų8450.4 Ų50.439%0.39326%0.256SS..EExtended strand (participates in β ladder)trans-93.4116.8166.9-68.5-175.3-33.900108V166 D167V166-Q178 HydrophobicContact CB-CB 4.44Å; V166-Q178 WeakPolarHBondContact CB-O 3.21Å; V166-Q178 PolarHBondContact N-O 3.34Å; D167-Q178 HydrophobicContact CB-CB 4.25Å; D167-Q178 PolarHBondContact N-O 3.45Å; D167-Q178 PolarHBondContact O-N 2.9Å
179L98.3Very high87.9Confident0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-108.7146.3-179.6-55-173.7000109.9W122 W151 V163 Q164 T165 R177 H202 L203 H205W122-L179 HydrophobicContact CH2-CD1 3.78Å; W122-L179 HydrophobicContact CZ2-CD1 4.45Å; W151-L179 HydrophobicContact CB-CD1 4.32Å; V163-L179 HydrophobicContact CG1-CD1 4.39Å; Q164-L179 CarbonylContact O-C 3.52Å; Q164-L179 VanDerWaalsContact O-CA 3.27Å; Q164-L179 WeakPolarHBondContact O-CA 3.36Å; T165-L179 HydrophobicContact CG2-CD2 4.06Å; T165-L179 VanDerWaalsContact OG1-CD2 3.25Å; T165-L179 WeakPolarHBondContact OG1-CD2 3.24Å; R177-L179 HydrophobicContact CB-CD2 4Å; R177-L179 HydrophobicContact CB-CG 4.42Å; L179-H202 WeakPolarHBondContact O-CA 3.46Å; L179-L203 HydrophobicContact CB-CB 4.29Å; L179-L203 HydrophobicContact CB-CD2 4.33Å; L179-L203 HydrophobicContact CD1-CD2 4.13Å; L179-L203 PolarHBondContact N-O 2.97Å; L179-L203 PolarHBondContact O-N 2.66Å; L179-H205 HydrophobicContact CD1-CB 3.71Å; L179-H205 HydrophobicContact CG-CB 4.04Å
180K97.8Very high85.8Confident55 Ų5553.8 Ų53.824%0.23927%0.27CS..EExtended strand (participates in β ladder)trans-115.4121.8170.5-179.5-179.3180-177.90108.2Q164 V166 M200 R201Q164-K180 HydrophobicContact CB-CB 4.35Å; Q164-K180 PolarHBondContact N-O 3.1Å; Q164-K180 PolarHBondContact O-N 3.07Å; V166-K180 HydrophobicContact CG2-CB 3.8Å; K180-M200 WeakPolarHBondContact CE-SD 3.35Å; K180-M200 PolarHBondContact NZ-SD 3.45Å; K180-M200 VanDerWaalsContact NZ-SD 3.36Å; K180-R201 WeakPolarHBondContact CA-O 3.31Å
181I97.6Very high84.1Confident1 Ų158.6 Ų58.61%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-110.5144.8177.164.6177.2000110.2W122 V125 W126 V161 T162 V163 M200 R201W122-I181 HydrophobicContact CE3-CG2 4.14Å; W122-I181 HydrophobicContact CH2-CG2 4.45Å; W122-I181 HydrophobicContact CZ3-CG2 3.69Å; V125-I181 HydrophobicContact CG1-CD1 4.07Å; W126-I181 HydrophobicContact CE3-CD1 3.9Å; W126-I181 HydrophobicContact CE3-CG1 4.11Å; W126-I181 HydrophobicContact CZ3-CD1 4.28Å; W126-I181 HydrophobicContact CZ3-CG1 4.04Å; V161-I181 HydrophobicContact CG1-CB 4.25Å; T162-I181 CarbonylContact O-C 3.5Å; T162-I181 WeakPolarHBondContact O-CA 3.35Å; V163-I181 HydrophobicContact CG1-CG2 4.29Å; V163-I181 HydrophobicContact CG2-CG2 4.1Å; I181-M200 CarbonylContact O-C 3.49Å; I181-M200 WeakPolarHBondContact O-CA 2.7Å; I181-R201 HydrophobicContact CD1-CB 4.25Å; I181-R201 HydrophobicContact CG1-CB 3.82Å; I181-R201 PolarHBondContact N-O 2.72Å; I181-R201 PolarHBondContact O-N 2.82Å
182S96.5Very high82.4Confident3 Ų363.1 Ų63.12%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-147.9147.6178.664.30000112.5V161 T162 R198 V199V161-S182 WeakPolarHBondContact CA-O 3.42Å; T162-S182 PolarHBondContact N-O 2.67Å; T162-S182 PolarHBondContact O-N 3.2Å; S182-R198 PolarHBondContact OG-NE 3.33Å; S182-R198 PolarHBondContact OG-NH2 3.49Å; S182-V199 WeakPolarHBondContact CA-O 3.42Å; S182-V199 WeakPolarHBondContact CB-O 3.38Å
183R93.5Very high80.3Confident69 Ų6966.2 Ų66.226%0.2634%0.341SS..EExtended strand (participates in β ladder)trans-140.2139.5177.4-172.3-180-178.6177.5-0108.9W126 D160 S185 V199W126-R183 VanDerWaalsContact CD1-NH1 3.27Å; W126-R183 HydrophobicContact CD2-CB 3.97Å; W126-R183 HydrophobicContact CE3-CB 4.06Å; W126-R183 HydrophobicContact CH2-CB 3.51Å; W126-R183 HydrophobicContact CZ2-CB 3.38Å; W126-R183 HydrophobicContact CZ2-CG 4.31Å; W126-R183 HydrophobicContact CZ3-CB 3.85Å; W126-R183 VanDerWaalsContact NE1-CD 3.31Å; D160-R183 WeakPolarHBondContact O-CG 3.17Å; D160-R183 IonicContact OD1-NE 2.97Å; D160-R183 IonicContact OD2-CZ 3.98Å; D160-R183 IonicContact OD2-NE 2.66Å; D160-R183 PolarHBondContact OD2-NE 3.43Å; D160-R183 IonicContact OD2-NH2 3.74Å; D160-R183 PolarHBondContact OD2-NH2 2.95Å; R183-S185 PolarHBondContact O-N 3.47Å; R183-V199 PolarHBondContact N-O 2.96Å; R183-V199 VanDerWaalsContact N-O 3.08Å; R183-V199 PolarHBondContact O-N 3.32Å
184V87.7Confident78.4Confident83 Ų8375.1 Ų75.150%0.50338%0.383SS..EExtended strand (participates in β ladder)trans-80118173.5-179.40000108.3
185S77.3Confident76.7Confident24 Ų2481.1 Ų81.117%0.16842%0.415CS..EExtended strand (participates in β ladder)trans-90.6121.7175.2-176.80000110.4R183 Q187 G196 V197R183-S185 PolarHBondContact O-N 3.47Å; S185-Q187 VanDerWaalsContact C-N 3.27Å; S185-Q187 PolarHBondContact OG-N 3.29Å; S185-G196 CarbonylContact O-C 3.59Å; S185-G196 VanDerWaalsContact O-CA 3.29Å; S185-G196 WeakPolarHBondContact O-CA 3.27Å; S185-V197 PolarHBondContact N-O 2.91Å; S185-V197 PolarHBondContact O-N 2.89Å
186C68.8Low75.2Confident106 Ų10681.8 Ų81.872%0.71642%0.424SS*.SBendtrans-78.3-10.9170.5-60.70000112.9Y188C186-Y188 VanDerWaalsContact C-N 3.33Å
187Q61.2Low74.3Confident172 Ų17283.5 Ų83.580%0.80444%0.435SS*.SBendtrans-74.1-24.8-179-69.7179.7-14.200112.6S185S185-Q187 VanDerWaalsContact C-N 3.27Å; S185-Q187 PolarHBondContact OG-N 3.29Å
188Y52.5Low73.8Confident147 Ų14788.1 Ų88.158%0.57645%0.453SS*.  trans-109.892.7175.3-57.9-82000108.1C186 S190 V197C186-Y188 VanDerWaalsContact C-N 3.33Å; Y188-S190 PolarHBondContact O-N 2.86Å; Y188-V197 WeakPolarHBondContact O-CG2 3.44Å; Y188-V197 PolarHBondContact O-N 2.82Å
189K48.6Very low73.5Confident175 Ų17586.5 Ų86.576%0.76145%0.448SS*.  trans-75.6113163.3-69.9-177.8179.5179.80106.7
190S51.4Low73.3Confident44 Ų4491.2 Ų91.231%0.30847%0.472SS..BIsolated β-bridgetrans-64.2137.9168.6179.70000108.7Y188 S192 T193Y188-S190 PolarHBondContact O-N 2.86Å; S190-S192 PolarHBondContact O-N 2.96Å; S190-S192 VanDerWaalsContact O-N 3.14Å; S190-S192 PolarHBondContact OG-N 3.43Å; S190-S192 PolarHBondContact OG-OG 3.22Å; S190-T193 PolarHBondContact O-N 3.38Å; S190-T193 VanDerWaalsContact O-O 3.1Å
191I60Low73.2Confident183 Ų18390.7 Ų90.794%0.93847%0.468SS*.THydrogen-bonded Turntrans-58.6-25.6174.9-63.6167.5000110.8
192S60.5Low73.1Confident102 Ų10296.9 Ų96.971%0.71350%0.497SS*.THydrogen-bonded Turntrans-95.5-13.4-175.660.20000115.8S190S190-S192 PolarHBondContact O-N 2.96Å; S190-S192 VanDerWaalsContact O-N 3.14Å; S190-S192 PolarHBondContact OG-N 3.43Å; S190-S192 PolarHBondContact OG-OG 3.22Å
193T51Low73.1Confident71 Ų7196.8 Ų96.844%0.43650%0.496SS..BIsolated β-bridgetrans-147127177.655.50000110.1S190 N195S190-T193 PolarHBondContact O-N 3.38Å; S190-T193 VanDerWaalsContact O-O 3.1Å; T193-N195 PolarHBondContact O-N 2.65Å; T193-N195 PolarHBondContact OG1-O 3.24Å
194Q54.8Low73.3Confident198 Ų19895.1 Ų95.193%0.92549%0.491SS*.SBendtrans-61.8-2.7170.9-67.5-172.8-3.700113.6
195N61Low73.8Confident127 Ų12791.1 Ų91.168%0.67947%0.467SS*.SBendtrans-85.4129.5173.6-63.4-12.6000109.6T193T193-N195 PolarHBondContact O-N 2.65Å; T193-N195 PolarHBondContact OG1-O 3.24Å
196G65.8Low74.8Confident23 Ų2390.2 Ų90.224%0.23746%0.46CS..PPolyproline II helixtrans-56.8155.6179.900000113.4S185 R198S185-G196 CarbonylContact O-C 3.59Å; S185-G196 VanDerWaalsContact O-CA 3.29Å; S185-G196 WeakPolarHBondContact O-CA 3.27Å; G196-R198 PolarHBondContact O-N 3.28Å
197V80.7Confident76.2Confident58 Ų5885.5 Ų85.535%0.35243%0.428SS..EExtended strand (participates in β ladder)trans-71.9124.3179.2175.40000110.2S185 Y188 V199S185-V197 PolarHBondContact N-O 2.91Å; S185-V197 PolarHBondContact O-N 2.89Å; Y188-V197 WeakPolarHBondContact O-CG2 3.44Å; Y188-V197 PolarHBondContact O-N 2.82Å; V197-V199 PolarHBondContact O-N 3.29Å
198R85.9Confident77.9Confident126 Ų12677.3 Ų77.348%0.47539%0.389SS..EExtended strand (participates in β ladder)trans-77110.6173.1-171.2175.5-176.3-178.7-0.4109.4E155 S182 G196 M200E155-R198 IonicContact OE1-NH2 3.5Å; S182-R198 PolarHBondContact OG-NE 3.33Å; S182-R198 PolarHBondContact OG-NH2 3.49Å; G196-R198 PolarHBondContact O-N 3.28Å; R198-M200 HydrophobicContact CG-CG 4.33Å
199V93.1Very high79.9Confident49 Ų4971.7 Ų71.730%0.29737%0.37SS..EExtended strand (participates in β ladder)trans-86136172.3-179.30000108W126 S182 R183 V197W126-V199 HydrophobicContact CH2-CB 3.92Å; W126-V199 HydrophobicContact CH2-CG1 3.92Å; W126-V199 WeakPolarHBondContact CH2-O 3.27Å; W126-V199 HydrophobicContact CZ2-CB 4.07Å; W126-V199 HydrophobicContact CZ2-CG1 4.11Å; S182-V199 WeakPolarHBondContact CA-O 3.42Å; S182-V199 WeakPolarHBondContact CB-O 3.38Å; R183-V199 PolarHBondContact N-O 2.96Å; R183-V199 VanDerWaalsContact N-O 3.08Å; R183-V199 PolarHBondContact O-N 3.32Å; V197-V199 PolarHBondContact O-N 3.29Å
200M94.1Very high81.8Confident99 Ų9965.4 Ų65.449%0.48834%0.344SS..EExtended strand (participates in β ladder)trans-124.3145.5-179.6-59.9-173.6-65.500110.4K180 I181 R198K180-M200 WeakPolarHBondContact CE-SD 3.35Å; K180-M200 PolarHBondContact NZ-SD 3.45Å; K180-M200 VanDerWaalsContact NZ-SD 3.36Å; I181-M200 CarbonylContact O-C 3.49Å; I181-M200 WeakPolarHBondContact O-CA 2.7Å; R198-M200 HydrophobicContact CG-CG 4.33Å
201R95.2Very high83.7Confident45 Ų4563.6 Ų63.617%0.1733%0.33CS..EExtended strand (participates in β ladder)trans-141.1151.6175.3-55.9179.9-170.5159.13.2110.1W126 K180 I181W126-R201 PolarHBondContact O-NH1 3.22Å; K180-R201 WeakPolarHBondContact CA-O 3.31Å; I181-R201 HydrophobicContact CD1-CB 4.25Å; I181-R201 HydrophobicContact CG1-CB 3.82Å; I181-R201 PolarHBondContact N-O 2.72Å; I181-R201 PolarHBondContact O-N 2.82Å
202H95.3Very high84.7Confident130 Ų13060.1 Ų60.160%0.60231%0.31SS*.EExtended strand (participates in β ladder)trans-98.5147.6172.8-67-89.1000109.5L179L179-H202 WeakPolarHBondContact O-CA 3.46Å
203L96.4Very high85.2Confident2 Ų258.1 Ų58.11%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-143.5134-176.8177.787.2000109.3W122 V125 C130 E131 V133 L179W122-L203 HydrophobicContact CH2-CD2 4Å; W122-L203 HydrophobicContact CZ3-CD2 3.78Å; V125-L203 HydrophobicContact CG1-CD1 4.16Å; V125-L203 HydrophobicContact CG1-CD2 4.29Å; C130-L203 WeakPolarHBondContact O-CD1 3.21Å; E131-L203 CarbonylContact O-C 3.44Å; E131-L203 VanDerWaalsContact O-CA 3.28Å; E131-L203 WeakPolarHBondContact O-CA 3.35Å; E131-L203 VanDerWaalsContact O-CD1 3.31Å; E131-L203 WeakPolarHBondContact O-CD1 3.39Å; V133-L203 HydrophobicContact CG2-CD1 3.91Å; V133-L203 HydrophobicContact CG2-CD2 3.92Å; V133-L203 HydrophobicContact CG2-CG 4.35Å; L179-L203 HydrophobicContact CB-CB 4.29Å; L179-L203 HydrophobicContact CB-CD2 4.33Å; L179-L203 HydrophobicContact CD1-CD2 4.13Å; L179-L203 PolarHBondContact N-O 2.97Å; L179-L203 PolarHBondContact O-N 2.66Å
204H97.7Very high86.1Confident33 Ų3362.7 Ų62.715%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-91.7124.1169.3-63.3-108.1000109.8E131 I132 V133 F206 A232 E235E131-H204 PolarHBondContact O-N 3.49Å; I132-H204 WeakPolarHBondContact CA-O 3.23Å; I132-H204 HydrophobicContact CG1-CB 4.5Å; V133-H204 PolarHBondContact N-O 2.89Å; H204-F206 HydrophobicContact CB-CD2 4.03Å; H204-F206 HydrophobicContact CB-CE2 3.42Å; H204-F206 VanDerWaalsContact CB-CE2 3.42Å; H204-F206 HydrophobicContact CB-CZ 4.18Å; H204-A232 HydrophobicContact CB-CB 4.48Å; H204-E235 IonicContact CE1-OE2 3.57Å
205H98.4Very high87.3Confident0 Ų054.3 Ų54.30%028%0.282CS..EExtended strand (participates in β ladder)trans-108.1107.8175178-117.3000109.8V133 Y150 W151 I176 R177 L179V133-H205 CarbonylContact O-C 3.52Å; V133-H205 WeakPolarHBondContact O-CA 3.47Å; Y150-H205 AromaticContact CZ-NE2 3.61Å; Y150-H205 PolarHBondContact OH-CD2 2.75Å; Y150-H205 PolarHBondContact OH-NE2 2.66Å; W151-H205 AromaticContact CD2-CE1 3.8Å; W151-H205 AromaticContact CE3-CE1 3.66Å; W151-H205 AromaticContact CZ3-CE1 3.91Å; I176-H205 CarbonylContact C-O 3.57Å; I176-H205 WeakPolarHBondContact CA-O 3.5Å; R177-H205 HydrophobicContact CB-CB 4.18Å; R177-H205 PolarHBondContact N-O 3.08Å; R177-H205 PolarHBondContact NH1-CE1 3.24Å; R177-H205 PolarHBondContact NH1-ND1 3.4Å; R177-H205 PolarHBondContact O-N 2.85Å; L179-H205 HydrophobicContact CD1-CB 3.71Å; L179-H205 HydrophobicContact CG-CB 4.04Å
206F98.6Very high88.5Confident4 Ų451.4 Ų51.42%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-98.4119.8178.6-69.8-91.1000109.4I132 V133 V134 M135 I176 H204 F225 R228 I229 A232I132-F206 HydrophobicContact CG2-CD2 3.81Å; I132-F206 HydrophobicContact CG2-CE2 3.91Å; V133-F206 PolarHBondContact O-N 3.43Å; V134-F206 CarbonylContact C-O 3.49Å; V134-F206 WeakPolarHBondContact CA-O 3.44Å; V134-F206 HydrophobicContact CG2-CB 4.42Å; M135-F206 PolarHBondContact N-O 2.8Å; I176-F206 HydrophobicContact CD1-CD1 3.92Å; I176-F206 HydrophobicContact CD1-CE1 3.66Å; I176-F206 HydrophobicContact CG1-CD1 3.73Å; I176-F206 HydrophobicContact CG1-CE1 3.93Å; I176-F206 HydrophobicContact CG2-CD1 4.18Å; I176-F206 HydrophobicContact CG2-CE1 3.95Å; I176-F206 HydrophobicContact CG2-CZ 4.36Å; H204-F206 HydrophobicContact CB-CD2 4.03Å; H204-F206 HydrophobicContact CB-CE2 3.42Å; H204-F206 VanDerWaalsContact CB-CE2 3.42Å; H204-F206 HydrophobicContact CB-CZ 4.18Å; F206-F225 HydrophobicContact CB-CE2 3.68Å; F206-F225 HydrophobicContact CB-CZ 3.54Å; F206-F225 HydrophobicContact CD1-CE2 4.13Å; F206-F225 HydrophobicContact CG-CE2 4.4Å; F206-R228 HydrophobicContact CE1-CB 3.96Å; F206-R228 WeakPolarHBondContact CE1-O 3.45Å; F206-R228 WeakPolarHBondContact CZ-O 3.36Å; F206-I229 HydrophobicContact CB-CD1 4.27Å; F206-I229 HydrophobicContact CB-CG1 4.11Å; F206-I229 HydrophobicContact CD1-CD1 4.43Å; F206-I229 HydrophobicContact CD1-CG1 3.54Å; F206-I229 HydrophobicContact CD2-CG1 3.87Å; F206-I229 HydrophobicContact CE1-CG1 3.81Å; F206-I229 HydrophobicContact CE2-CG1 4.09Å; F206-I229 HydrophobicContact CG-CD1 4.28Å; F206-I229 HydrophobicContact CG-CG1 3.58Å; F206-I229 HydrophobicContact CZ-CG1 4.08Å; F206-A232 HydrophobicContact CE2-CB 3.88Å; F206-A232 HydrophobicContact CZ-CB 3.67Å
207H98.2Very high89.8Confident8 Ų850.9 Ų50.94%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-123.2104.1-176.3-180-169.5000110.8M135 T137 W151 F174 T175 R177 T209M135-H207 HydrophobicContact CB-CB 4.35Å; M135-H207 CarbonylContact O-C 3.56Å; M135-H207 WeakPolarHBondContact O-CA 3.15Å; T137-H207 PolarHBondContact O-NE2 3.46Å; W151-H207 AromaticContact CH2-CE1 3.8Å; W151-H207 AromaticContact CH2-ND1 3.76Å; W151-H207 AromaticContact CZ2-ND1 3.82Å; F174-H207 CarbonylContact C-O 3.6Å; F174-H207 WeakPolarHBondContact CA-O 3.31Å; F174-H207 WeakPolarHBondContact CB-O 3.22Å; T175-H207 PolarHBondContact N-O 2.94Å; T175-H207 PolarHBondContact O-N 2.92Å; R177-H207 PolarHBondContact NH1-ND1 3.49Å; H207-T209 PolarHBondContact O-N 3.18Å
208F97.2Very high90.2Very high0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-74.3107.1171.9-157-80.7000110.3M135 L136 F174 E210 W211 P217 A221 L222 F225M135-F208 PolarHBondContact O-N 2.85Å; L136-F208 HydrophobicContact CD2-CB 3.91Å; F174-F208 HydrophobicContact CB-CD2 4.31Å; F174-F208 HydrophobicContact CD1-CD2 4.33Å; F174-F208 HydrophobicContact CD1-CE2 4.31Å; F208-E210 HydrophobicContact CE1-CB 4.41Å; F208-W211 HydrophobicContact CD1-CB 3.82Å; F208-W211 HydrophobicContact CD1-CE3 4.32Å; F208-W211 HydrophobicContact CE1-CB 4.13Å; F208-P217 HydrophobicContact CE1-CB 3.62Å; F208-P217 HydrophobicContact CE1-CG 4.09Å; F208-P217 HydrophobicContact CZ-CB 3.62Å; F208-P217 HydrophobicContact CZ-CG 4.09Å; F208-A221 HydrophobicContact CE2-CB 4.39Å; F208-A221 HydrophobicContact CZ-CB 4.1Å; F208-L222 HydrophobicContact CD2-CD1 4.32Å; F208-L222 HydrophobicContact CE2-CD1 4.14Å; F208-F225 HydrophobicContact CB-CE1 4.1Å; F208-F225 HydrophobicContact CB-CE2 4.4Å; F208-F225 HydrophobicContact CB-CZ 4.01Å; F208-F225 HydrophobicContact CD2-CB 3.93Å; F208-F225 AromaticContact CD2-CD1 3.78Å; F208-F225 HydrophobicContact CD2-CD1 3.78Å; F208-F225 HydrophobicContact CD2-CD2 4.08Å; F208-F225 HydrophobicContact CD2-CE1 4.19Å; F208-F225 HydrophobicContact CD2-CE2 4.46Å; F208-F225 AromaticContact CD2-CG 3.68Å; F208-F225 HydrophobicContact CD2-CG 3.68Å; F208-F225 HydrophobicContact CD2-CZ 4.49Å; F208-F225 HydrophobicContact CE2-CB 4.05Å; F208-F225 HydrophobicContact CE2-CG 4.32Å
209T93.7Very high90.6Very high29 Ų2947.1 Ų47.118%0.17824%0.241CC..  trans-89.5-22.9-171.152.70000112.5K138 Y173 F174 H207K138-T209 WeakPolarHBondContact CE-O 3.48Å; K138-T209 WeakPolarHBondContact CG-O 3.4Å; Y173-T209 PolarHBondContact O-N 2.94Å; Y173-T209 PolarHBondContact O-OG1 3.23Å; Y173-T209 VanDerWaalsContact O-OG1 3.07Å; F174-T209 PolarHBondContact N-OG1 2.94Å; H207-T209 PolarHBondContact O-N 3.18Å
210E89.8Confident90.5Very high43 Ų4344.9 Ų44.920%0.20123%0.228CC..  trans-10842.9-173.2-68-58.1125.100114.1A172 Y173 F208 K403A172-E210 WeakPolarHBondContact O-CG 3.21Å; Y173-E210 HydrophobicContact CD1-CB 3.87Å; Y173-E210 HydrophobicContact CD1-CG 4.15Å; Y173-E210 PolarHBondContact O-N 2.69Å; Y173-E210 VanDerWaalsContact O-N 3.16Å; F208-E210 HydrophobicContact CE1-CB 4.41Å; E210-K403 HydrophobicContact CG-CD 4.26Å; E210-K403 WeakPolarHBondContact OE2-CD 3.32Å; E210-K403 IonicContact OE2-NZ 3.39Å; E210-K403 PolarHBondContact OE2-NZ 2.88Å
211W89.9Confident90.4Very high6 Ų640.2 Ų40.22%0.02320%0.204CC..  trans-104.2104.4171-158.4-33000110.8L136 F208 G215 L216 P217 L222 R252 V255L136-W211 HydrophobicContact CB-CE3 4.11Å; L136-W211 HydrophobicContact CB-CZ3 4.27Å; L136-W211 HydrophobicContact CD1-CZ3 4.2Å; L136-W211 HydrophobicContact CD2-CE3 4.25Å; L136-W211 HydrophobicContact CD2-CZ3 4.07Å; L136-W211 HydrophobicContact CG-CZ3 4.41Å; F208-W211 HydrophobicContact CD1-CB 3.82Å; F208-W211 HydrophobicContact CD1-CE3 4.32Å; F208-W211 HydrophobicContact CE1-CB 4.13Å; W211-G215 PolarHBondContact NE1-O 3.23Å; W211-L216 HydrophobicContact CZ2-CD2 4.49Å; W211-P217 HydrophobicContact CD2-CG 4.04Å; W211-P217 HydrophobicContact CE3-CG 4.23Å; W211-P217 HydrophobicContact CG-CG 4.39Å; W211-L222 HydrophobicContact CZ3-CD1 4.03Å; W211-R252 HydrophobicContact CD2-CB 4.19Å; W211-R252 HydrophobicContact CD2-CG 4.02Å; W211-R252 HydrophobicContact CE3-CB 4.27Å; W211-R252 HydrophobicContact CG-CG 4.44Å; W211-R252 HydrophobicContact CH2-CB 3.82Å; W211-R252 HydrophobicContact CH2-CG 4.39Å; W211-R252 WeakPolarHBondContact CH2-O 3.32Å; W211-R252 HydrophobicContact CZ2-CB 3.73Å; W211-R252 HydrophobicContact CZ2-CG 3.8Å; W211-R252 HydrophobicContact CZ3-CB 4.09Å; W211-V255 HydrophobicContact CH2-CB 4.1Å; W211-V255 HydrophobicContact CH2-CG1 3.94Å; W211-V255 HydrophobicContact CZ2-CB 4.32Å; W211-V255 HydrophobicContact CZ2-CG1 4.17Å
212E81.5Confident90.4Very high109 Ų10938.2 Ų38.251%0.50920%0.197SC..  trans-69145.8178.6-62.9-176.7175.800112N214 G215E212-N214 VanDerWaalsContact C-N 3.3Å; E212-N214 PolarHBondContact O-N 3.24Å; E212-G215 PolarHBondContact O-N 3.42Å
213V70.4Confident90.4Very high61 Ų6133.5 Ų33.537%0.3718%0.176SC..THydrogen-bonded Turntrans-60.9-38.6-174.5170.20000113.1D141 M146 R252D141-V213 HydrophobicContact CB-CG2 4.24Å; D141-V213 WeakPolarHBondContact OD2-CG2 3.32Å; M146-V213 HydrophobicContact CE-CG2 3.89Å; V213-R252 VanDerWaalsContact CG2-NH2 3.26Å
214N69.6Low90.3Very high166 Ų16633.8 Ų33.889%0.88818%0.178SC*.THydrogen-bonded Turntrans-107.614.8-178.7-61.5-27.7000112.5E212E212-N214 VanDerWaalsContact C-N 3.3Å; E212-N214 PolarHBondContact O-N 3.24Å
215G80.5Confident90.3Very high23 Ų2332.2 Ų32.224%0.23717%0.17CC..SBendtrans-126.2169.8-175.200000112.3W211 E212W211-G215 PolarHBondContact NE1-O 3.23Å; E212-G215 PolarHBondContact O-N 3.42Å
216L87.1Confident90.1Very high66 Ų6633.2 Ų33.235%0.34617%0.174SC..  trans-114.6137.7170.6-70.7159.1000107.8W211 D288 Q289 Y292W211-L216 HydrophobicContact CZ2-CD2 4.49Å; L216-D288 HydrophobicContact CD1-CB 4.31Å; L216-Q289 HydrophobicContact CD2-CG 4.29Å; L216-Y292 HydrophobicContact CB-CD2 3.8Å; L216-Y292 HydrophobicContact CB-CE2 3.99Å; L216-Y292 HydrophobicContact CB-CG 4.25Å; L216-Y292 HydrophobicContact CD1-CD2 3.92Å; L216-Y292 HydrophobicContact CD1-CG 3.83Å; L216-Y292 HydrophobicContact CD2-CD1 3.87Å; L216-Y292 HydrophobicContact CD2-CD2 4.22Å; L216-Y292 HydrophobicContact CD2-CE1 4.37Å; L216-Y292 HydrophobicContact CD2-CG 3.79Å; L216-Y292 HydrophobicContact CG-CD2 4.19Å; L216-Y292 HydrophobicContact CG-CG 4.16Å
217P92Very high89.9Confident12 Ų1235.2 Ų35.28%0.07818%0.182CC..  trans-68.4168.9177.929.7-33.2000110.6F208 W211 V219 Y292F208-P217 HydrophobicContact CE1-CB 3.62Å; F208-P217 HydrophobicContact CE1-CG 4.09Å; F208-P217 HydrophobicContact CZ-CB 3.62Å; F208-P217 HydrophobicContact CZ-CG 4.09Å; W211-P217 HydrophobicContact CD2-CG 4.04Å; W211-P217 HydrophobicContact CE3-CG 4.23Å; W211-P217 HydrophobicContact CG-CG 4.39Å; P217-V219 PolarHBondContact O-N 2.93Å; P217-Y292 WeakPolarHBondContact O-CE2 3.2Å; P217-Y292 PolarHBondContact O-OH 2.93Å
218Y90.6Very high89.7Confident83 Ų8335.8 Ų35.833%0.32518%0.184SC..  trans-61.4132.2168.8-61.6-55.8000110Y173 S220 A221 L222 L578 N579Y173-Y218 AromaticContact CE1-CD2 3.84Å; Y173-Y218 HydrophobicContact CE1-CD2 3.84Å; Y173-Y218 HydrophobicContact CE1-CE2 4.25Å; Y218-S220 PolarHBondContact O-N 3.28Å; Y218-A221 WeakPolarHBondContact O-CB 3.47Å; Y218-A221 PolarHBondContact O-N 2.81Å; Y218-L222 PolarHBondContact O-N 3.47Å; Y218-L578 HydrophobicContact CD1-CD1 4Å; Y218-L578 HydrophobicContact CD1-CD2 4.09Å; Y218-L578 HydrophobicContact CD2-CD1 3.54Å; Y218-L578 HydrophobicContact CE1-CD1 4.14Å; Y218-L578 HydrophobicContact CE1-CD2 4.35Å; Y218-L578 HydrophobicContact CE2-CD1 3.67Å; Y218-L578 HydrophobicContact CG-CD1 3.71Å; Y218-L578 HydrophobicContact CG-CD2 4.45Å; Y218-N579 PolarHBondContact OH-OD1 3.43Å
219V92.9Very high89.6Confident21 Ų2135.8 Ų35.813%0.12718%0.184CC..Hα-helixtrans-50.6-46.5177.6171.30000111P217 A221 L222 L223 Y292 A296 E299P217-V219 PolarHBondContact O-N 2.93Å; V219-A221 VanDerWaalsContact C-N 3.27Å; V219-A221 PolarHBondContact O-N 3.39Å; V219-L222 PolarHBondContact O-N 3.45Å; V219-L222 VanDerWaalsContact O-N 3.08Å; V219-L223 HydrophobicContact CG1-CD1 3.74Å; V219-L223 HydrophobicContact CG1-CG 4.07Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.22Å; V219-Y292 HydrophobicContact CG2-CD2 4.18Å; V219-Y292 HydrophobicContact CG2-CE2 3.57Å; V219-A296 HydrophobicContact CG1-CB 3.84Å; V219-A296 HydrophobicContact CG2-CB 4.31Å; V219-E299 HydrophobicContact CG1-CB 4.06Å; V219-E299 HydrophobicContact CG1-CG 4.18Å; V219-E299 WeakPolarHBondContact CG1-OE1 3.16Å; V219-E299 WeakPolarHBondContact CG1-OE2 3.41Å
220S90.7Very high89.6Confident3 Ų335.7 Ų35.72%0.02118%0.181CC..Hα-helixtrans-57.2-39.4179.254.80000112.7Y218 D224 H571Y218-S220 PolarHBondContact O-N 3.28Å; S220-D224 WeakPolarHBondContact O-CB 3.45Å; S220-D224 PolarHBondContact O-N 2.87Å; S220-H571 PolarHBondContact O-CE1 3.1Å; S220-H571 VanDerWaalsContact O-CE1 3.25Å
221A93.6Very high89.7Confident0 Ų036.6 Ų36.60%019%0.187CC..Hα-helixtrans-68.8-37.9178.600000111.9Y173 F208 Y218 V219 F225Y173-A221 HydrophobicContact CD1-CB 4.05Å; Y173-A221 HydrophobicContact CD2-CB 3.58Å; Y173-A221 HydrophobicContact CE1-CB 4.43Å; Y173-A221 HydrophobicContact CE2-CB 4.01Å; Y173-A221 HydrophobicContact CG-CB 3.6Å; F208-A221 HydrophobicContact CE2-CB 4.39Å; F208-A221 HydrophobicContact CZ-CB 4.1Å; Y218-A221 WeakPolarHBondContact O-CB 3.47Å; Y218-A221 PolarHBondContact O-N 2.81Å; V219-A221 VanDerWaalsContact C-N 3.27Å; V219-A221 PolarHBondContact O-N 3.39Å; A221-F225 WeakPolarHBondContact O-CB 3.26Å; A221-F225 PolarHBondContact O-N 2.69Å
222L95.1Very high89.8Confident3 Ų336.5 Ų36.52%0.01619%0.188CC..Hα-helixtrans-72-38177.8-167.465.7000112F208 W211 Y218 V219 F225 R226 F256 I259 Y292F208-L222 HydrophobicContact CD2-CD1 4.32Å; F208-L222 HydrophobicContact CE2-CD1 4.14Å; W211-L222 HydrophobicContact CZ3-CD1 4.03Å; Y218-L222 PolarHBondContact O-N 3.47Å; V219-L222 PolarHBondContact O-N 3.45Å; V219-L222 VanDerWaalsContact O-N 3.08Å; L222-F225 PolarHBondContact O-N 3.3Å; L222-R226 PolarHBondContact O-N 3.25Å; L222-F256 HydrophobicContact CD1-CD2 4Å; L222-I259 HydrophobicContact CD2-CD1 3.61Å; L222-Y292 HydrophobicContact CD2-CE1 3.72Å; L222-Y292 WeakPolarHBondContact CD2-OH 3.45Å
223L95Very high90.3Very high31 Ų3133.7 Ų33.716%0.16218%0.178CC..Hα-helixtrans-67.5-41.9175.1-67.2-179.8000111.8V219 F225 R226 R227 I259 L263 E299 A300V219-L223 HydrophobicContact CG1-CD1 3.74Å; V219-L223 HydrophobicContact CG1-CG 4.07Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.22Å; L223-F225 VanDerWaalsContact C-N 3.32Å; L223-F225 PolarHBondContact O-N 3.4Å; L223-R226 PolarHBondContact O-N 3.09Å; L223-R227 PolarHBondContact O-N 3.39Å; L223-I259 HydrophobicContact CD2-CG2 4.28Å; L223-L263 HydrophobicContact CD2-CD1 3.87Å; L223-E299 HydrophobicContact CD1-CB 4.48Å; L223-E299 HydrophobicContact CD1-CG 4.18Å; L223-A300 HydrophobicContact CD1-CB 3.98Å; L223-A300 HydrophobicContact CD2-CB 4.02Å
224D93.8Very high91.2Very high8 Ų837.2 Ų37.24%0.04319%0.19CC..Hα-helixtrans-60.3-43.4172.3177.335.1000111.3F174 S220 R227 R228 H571F174-D224 VanDerWaalsContact CZ-OD2 3.28Å; F174-D224 WeakPolarHBondContact CZ-OD2 3.33Å; S220-D224 WeakPolarHBondContact O-CB 3.45Å; S220-D224 PolarHBondContact O-N 2.87Å; D224-R227 PolarHBondContact O-N 3.05Å; D224-R227 IonicContact OD1-CZ 2.85Å; D224-R227 IonicContact OD1-NE 3.77Å; D224-R227 IonicContact OD1-NH2 3.78Å; D224-R227 PolarHBondContact OD1-NH2 3.34Å; D224-R228 VanDerWaalsContact O-CD 3.29Å; D224-R228 WeakPolarHBondContact O-CD 3.49Å; D224-R228 WeakPolarHBondContact O-CG 3.17Å; D224-R228 PolarHBondContact O-N 2.77Å; D224-R228 IonicContact OD1-CZ 3.85Å; D224-R228 IonicContact OD1-NE 3.65Å; D224-R228 PolarHBondContact OD1-NE 2.98Å; D224-R228 IonicContact OD1-NH2 3.83Å; D224-R228 IonicContact OD2-NE 2.91Å; D224-R228 IonicContact OD2-NH2 3.2Å; D224-H571 IonicContact OD2-NE2 3.99Å
225F97Very high92.1Very high0 Ų035.7 Ų35.70%018%0.177CC..Hα-helixtrans-61.3-45.3174.9-175.3-114.1000112.8V134 L136 F174 F206 F208 A221 L222 L223 R227 R228 I229 F256V134-F225 HydrophobicContact CG1-CE1 3.65Å; V134-F225 HydrophobicContact CG1-CZ 3.96Å; L136-F225 HydrophobicContact CD2-CE1 3.83Å; F174-F225 HydrophobicContact CB-CD2 3.63Å; F174-F225 HydrophobicContact CB-CE2 3.71Å; F174-F225 HydrophobicContact CD1-CB 3.92Å; F174-F225 AromaticContact CD1-CD2 3.69Å; F174-F225 HydrophobicContact CD1-CD2 3.69Å; F174-F225 HydrophobicContact CD1-CG 4.21Å; F174-F225 AromaticContact CD2-CD2 3.83Å; F174-F225 HydrophobicContact CD2-CD2 3.83Å; F174-F225 HydrophobicContact CD2-CE2 4.33Å; F174-F225 HydrophobicContact CE1-CB 4.05Å; F174-F225 HydrophobicContact CE1-CD2 4.33Å; F174-F225 HydrophobicContact CE2-CD2 4.46Å; F174-F225 AromaticContact CG-CD2 3.43Å; F174-F225 HydrophobicContact CG-CD2 3.43Å; F174-F225 VanDerWaalsContact CG-CD2 3.43Å; F174-F225 AromaticContact CG-CE2 3.99Å; F174-F225 HydrophobicContact CG-CE2 3.99Å; F174-F225 HydrophobicContact CG-CG 4.37Å; F206-F225 HydrophobicContact CB-CE2 3.68Å; F206-F225 HydrophobicContact CB-CZ 3.54Å; F206-F225 HydrophobicContact CD1-CE2 4.13Å; F206-F225 HydrophobicContact CG-CE2 4.4Å; F208-F225 HydrophobicContact CB-CE1 4.1Å; F208-F225 HydrophobicContact CB-CE2 4.4Å; F208-F225 HydrophobicContact CB-CZ 4.01Å; F208-F225 HydrophobicContact CD2-CB 3.93Å; F208-F225 AromaticContact CD2-CD1 3.78Å; F208-F225 HydrophobicContact CD2-CD1 3.78Å; F208-F225 HydrophobicContact CD2-CD2 4.08Å; F208-F225 HydrophobicContact CD2-CE1 4.19Å; F208-F225 HydrophobicContact CD2-CE2 4.46Å; F208-F225 AromaticContact CD2-CG 3.68Å; F208-F225 HydrophobicContact CD2-CG 3.68Å; F208-F225 HydrophobicContact CD2-CZ 4.49Å; F208-F225 HydrophobicContact CE2-CB 4.05Å; F208-F225 HydrophobicContact CE2-CG 4.32Å; A221-F225 WeakPolarHBondContact O-CB 3.26Å; A221-F225 PolarHBondContact O-N 2.69Å; L222-F225 PolarHBondContact O-N 3.3Å; L223-F225 VanDerWaalsContact C-N 3.32Å; L223-F225 PolarHBondContact O-N 3.4Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 2.93Å; F225-R228 PolarHBondContact O-N 3.01Å; F225-I229 HydrophobicContact CD1-CD1 3.67Å; F225-I229 HydrophobicContact CE1-CD1 3.46Å; F225-I229 VanDerWaalsContact CE1-CD1 3.46Å; F225-I229 HydrophobicContact CE2-CD1 4.46Å; F225-I229 HydrophobicContact CG-CD1 4.29Å; F225-I229 HydrophobicContact CZ-CD1 3.91Å; F225-I229 WeakPolarHBondContact O-CG1 3.35Å; F225-I229 PolarHBondContact O-N 3.3Å; F225-I229 VanDerWaalsContact O-N 3.17Å; F225-F256 HydrophobicContact CD1-CE2 4.1Å; F225-F256 HydrophobicContact CE1-CE2 4.34Å
226R95.6Very high92.3Very high22 Ų2235.8 Ų35.88%0.08317%0.174CC..Hα-helixtrans-56.7-48.6174.1174.4-177176.3-94.11.6110.7L222 L223 R228 I229 Q230 H260 L263 D264 E267L222-R226 PolarHBondContact O-N 3.25Å; L223-R226 PolarHBondContact O-N 3.09Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 3.18Å; R226-I229 CarbonylContact O-C 3.49Å; R226-I229 WeakPolarHBondContact O-CA 3.43Å; R226-I229 WeakPolarHBondContact O-CB 3.38Å; R226-I229 PolarHBondContact O-N 3.04Å; R226-Q230 PolarHBondContact O-N 3.42Å; R226-H260 PolarHBondContact NE-ND1 2.73Å; R226-L263 VanDerWaalsContact CD-CD1 3.46Å; R226-L263 VanDerWaalsContact NH2-CB 3.3Å; R226-D264 IonicContact CZ-OD1 3Å; R226-D264 IonicContact NH2-OD1 3.12Å; R226-D264 PolarHBondContact NH2-OD1 3.3Å; R226-E267 IonicContact CZ-OE1 2.99Å; R226-E267 IonicContact NH1-OE1 2.9Å; R226-E267 PolarHBondContact NH1-OE1 3.05Å; R226-E267 IonicContact NH2-OE1 2.7Å; R226-E267 PolarHBondContact NH2-OE1 2.71Å; R226-E267 IonicContact NH2-OE2 3.65Å
227R93.4Very high91.8Very high46 Ų4639.3 Ų39.317%0.17420%0.198CC..Hα-helixtrans-54.9-42.7-177.2178176.958.7-156.35.4111.9L223 D224 F225 Q230 D231 P307 D568L223-R227 PolarHBondContact O-N 3.39Å; D224-R227 PolarHBondContact O-N 3.05Å; D224-R227 IonicContact OD1-CZ 2.85Å; D224-R227 IonicContact OD1-NE 3.77Å; D224-R227 IonicContact OD1-NH2 3.78Å; D224-R227 PolarHBondContact OD1-NH2 3.34Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 2.93Å; R227-Q230 WeakPolarHBondContact O-CB 3.41Å; R227-Q230 PolarHBondContact O-N 2.9Å; R227-D231 PolarHBondContact O-N 2.81Å; R227-P307 VanDerWaalsContact NH1-CD 3.33Å; R227-D568 IonicContact CZ-OD2 2.97Å; R227-D568 IonicContact NH1-OD2 2.69Å; R227-D568 PolarHBondContact NH1-OD2 2.85Å; R227-D568 IonicContact NH2-OD2 3.66Å; R227-D568 PolarHBondContact NH2-OD2 3.15Å
228R94.9Very high91.1Very high20 Ų2045.3 Ų45.38%0.07522%0.219CC..Hα-helixtrans-70.1-32.4178-64.3150.2172.5-85.21.2113.2F174 I176 F206 D224 F225 R226 Q230 A232 E564F174-R228 VanDerWaalsContact CE2-CD 3.4Å; F174-R228 VanDerWaalsContact CZ-CD 3.41Å; I176-R228 HydrophobicContact CD1-CB 4.01Å; I176-R228 HydrophobicContact CD1-CG 4.34Å; F206-R228 HydrophobicContact CE1-CB 3.96Å; F206-R228 WeakPolarHBondContact CE1-O 3.45Å; F206-R228 WeakPolarHBondContact CZ-O 3.36Å; D224-R228 VanDerWaalsContact O-CD 3.29Å; D224-R228 WeakPolarHBondContact O-CD 3.49Å; D224-R228 WeakPolarHBondContact O-CG 3.17Å; D224-R228 PolarHBondContact O-N 2.77Å; D224-R228 IonicContact OD1-CZ 3.85Å; D224-R228 IonicContact OD1-NE 3.65Å; D224-R228 PolarHBondContact OD1-NE 2.98Å; D224-R228 IonicContact OD1-NH2 3.83Å; D224-R228 IonicContact OD2-NE 2.91Å; D224-R228 IonicContact OD2-NH2 3.2Å; F225-R228 PolarHBondContact O-N 3.01Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 3.18Å; R228-Q230 VanDerWaalsContact C-N 3.33Å; R228-A232 PolarHBondContact O-N 3.26Å; R228-E564 IonicContact CZ-OE1 2.62Å; R228-E564 IonicContact CZ-OE2 2.91Å; R228-E564 IonicContact NH1-OE1 3.52Å; R228-E564 PolarHBondContact NH1-OE1 3.31Å; R228-E564 IonicContact NH1-OE2 3.92Å; R228-E564 IonicContact NH2-OE1 2.71Å; R228-E564 PolarHBondContact NH2-OE1 3.39Å; R228-E564 IonicContact NH2-OE2 2.59Å; R228-E564 PolarHBondContact NH2-OE2 3.19Å
229I95.7Very high90.8Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-65.6-43.5170.6-68.7165.8000109.1I132 V134 F206 F225 R226 D231 A232 V233 M242 F256I132-I229 HydrophobicContact CG2-CG2 4.41Å; V134-I229 HydrophobicContact CG1-CD1 4.05Å; V134-I229 HydrophobicContact CG2-CD1 3.72Å; V134-I229 HydrophobicContact CG2-CG1 4.35Å; F206-I229 HydrophobicContact CB-CD1 4.27Å; F206-I229 HydrophobicContact CB-CG1 4.11Å; F206-I229 HydrophobicContact CD1-CD1 4.43Å; F206-I229 HydrophobicContact CD1-CG1 3.54Å; F206-I229 HydrophobicContact CD2-CG1 3.87Å; F206-I229 HydrophobicContact CE1-CG1 3.81Å; F206-I229 HydrophobicContact CE2-CG1 4.09Å; F206-I229 HydrophobicContact CG-CD1 4.28Å; F206-I229 HydrophobicContact CG-CG1 3.58Å; F206-I229 HydrophobicContact CZ-CG1 4.08Å; F225-I229 HydrophobicContact CD1-CD1 3.67Å; F225-I229 HydrophobicContact CE1-CD1 3.46Å; F225-I229 VanDerWaalsContact CE1-CD1 3.46Å; F225-I229 HydrophobicContact CE2-CD1 4.46Å; F225-I229 HydrophobicContact CG-CD1 4.29Å; F225-I229 HydrophobicContact CZ-CD1 3.91Å; F225-I229 WeakPolarHBondContact O-CG1 3.35Å; F225-I229 PolarHBondContact O-N 3.3Å; F225-I229 VanDerWaalsContact O-N 3.17Å; R226-I229 CarbonylContact O-C 3.49Å; R226-I229 WeakPolarHBondContact O-CA 3.43Å; R226-I229 WeakPolarHBondContact O-CB 3.38Å; R226-I229 PolarHBondContact O-N 3.04Å; I229-D231 PolarHBondContact O-N 3.28Å; I229-A232 CarbonylContact O-C 3.56Å; I229-A232 PolarHBondContact O-N 3.12Å; I229-A232 VanDerWaalsContact O-N 3.12Å; I229-V233 HydrophobicContact CG2-CG2 4.26Å; I229-V233 WeakPolarHBondContact O-CG2 3.36Å; I229-V233 PolarHBondContact O-N 3.02Å; I229-M242 HydrophobicContact CG2-CE 3.44Å; I229-M242 VanDerWaalsContact CG2-CE 3.44Å; I229-M242 HydrophobicContact CG2-SD 4.02Å; I229-F256 HydrophobicContact CD1-CE2 4Å; I229-F256 HydrophobicContact CD1-CZ 3.55Å
230Q92Very high90.6Very high26 Ų2646.2 Ų46.212%0.12123%0.23CC..Hα-helixtrans-63.2-41.9179.7-165.163.45.600111.9R226 R227 R228 A232 V233 H234 H260R226-Q230 PolarHBondContact O-N 3.42Å; R227-Q230 WeakPolarHBondContact O-CB 3.41Å; R227-Q230 PolarHBondContact O-N 2.9Å; R228-Q230 VanDerWaalsContact C-N 3.33Å; Q230-A232 VanDerWaalsContact C-N 3.3Å; Q230-A232 PolarHBondContact O-N 3.32Å; Q230-V233 PolarHBondContact O-N 3.01Å; Q230-H234 PolarHBondContact NE2-CE1 3.41Å; Q230-H234 VanDerWaalsContact NE2-CE1 3.34Å; Q230-H234 PolarHBondContact O-N 3.48Å; Q230-H234 PolarHBondContact O-ND1 2.91Å; Q230-H260 PolarHBondContact OE1-CE1 3.43Å
231D92.1Very high90.7Very high62 Ų6246.9 Ų46.933%0.33223%0.234SC..Hα-helixtrans-54.5-46.9171.5-72.3-36.5000111R227 I229 H234 E235 R566R227-D231 PolarHBondContact O-N 2.81Å; I229-D231 PolarHBondContact O-N 3.28Å; D231-H234 PolarHBondContact O-N 2.97Å; D231-E235 WeakPolarHBondContact O-CG 3.36Å; D231-E235 PolarHBondContact O-N 3.17Å; D231-R566 IonicContact OD1-NH1 3.78Å; D231-R566 IonicContact OD2-NH1 2.93Å; D231-R566 PolarHBondContact OD2-NH1 2.86Å
232A93.4Very high90.7Very high4 Ų447.4 Ų47.43%0.03324%0.237CC..Hα-helixtrans-68.8-33.2177.900000113.5I132 H204 F206 R228 I229 Q230 H234 E235 T236I132-A232 HydrophobicContact CD1-CB 4.06Å; H204-A232 HydrophobicContact CB-CB 4.48Å; F206-A232 HydrophobicContact CE2-CB 3.88Å; F206-A232 HydrophobicContact CZ-CB 3.67Å; R228-A232 PolarHBondContact O-N 3.26Å; I229-A232 CarbonylContact O-C 3.56Å; I229-A232 PolarHBondContact O-N 3.12Å; I229-A232 VanDerWaalsContact O-N 3.12Å; Q230-A232 VanDerWaalsContact C-N 3.3Å; Q230-A232 PolarHBondContact O-N 3.32Å; A232-H234 VanDerWaalsContact C-N 3.33Å; A232-E235 PolarHBondContact O-N 3.26Å; A232-T236 PolarHBondContact O-N 3.41Å
233V91.1Very high90.8Very high50 Ų5047.3 Ų47.330%0.30324%0.236SC..Hα-helixtrans-62.1-42.7173.51710000110.3I132 I229 Q230 E235 T236 M242I132-V233 HydrophobicContact CD1-CB 4.26Å; I132-V233 HydrophobicContact CD1-CG2 3.49Å; I132-V233 VanDerWaalsContact CD1-CG2 3.49Å; I229-V233 HydrophobicContact CG2-CG2 4.26Å; I229-V233 WeakPolarHBondContact O-CG2 3.36Å; I229-V233 PolarHBondContact O-N 3.02Å; Q230-V233 PolarHBondContact O-N 3.01Å; V233-E235 VanDerWaalsContact C-N 3.3Å; V233-E235 PolarHBondContact O-N 2.86Å; V233-T236 PolarHBondContact O-N 3.12Å; V233-T236 VanDerWaalsContact O-N 3.12Å; V233-M242 HydrophobicContact CG2-CE 3.68Å
234H88.9Confident90.8Very high136 Ų13645.8 Ų45.863%0.6323%0.228SC*.Hα-helixtrans-66.5-29.5177.3-73.690.1000113.2Q230 D231 A232 T236Q230-H234 PolarHBondContact NE2-CE1 3.41Å; Q230-H234 VanDerWaalsContact NE2-CE1 3.34Å; Q230-H234 PolarHBondContact O-N 3.48Å; Q230-H234 PolarHBondContact O-ND1 2.91Å; D231-H234 PolarHBondContact O-N 2.97Å; A232-H234 VanDerWaalsContact C-N 3.33Å; H234-T236 VanDerWaalsContact C-N 3.31Å
235E88.5Confident90.9Very high133 Ų13345.4 Ų45.462%0.62123%0.226SC*.Hα-helixtrans-71-28.1172.8-69.6175-176.300112.2H204 D231 A232 V233 T237H204-E235 IonicContact CE1-OE2 3.57Å; D231-E235 WeakPolarHBondContact O-CG 3.36Å; D231-E235 PolarHBondContact O-N 3.17Å; A232-E235 PolarHBondContact O-N 3.26Å; V233-E235 VanDerWaalsContact C-N 3.3Å; V233-E235 PolarHBondContact O-N 2.86Å; E235-T237 PolarHBondContact O-N 2.91Å
236T84.8Confident90.7Very high26 Ų2645.4 Ų45.416%0.1623%0.226CC..  trans-78.4107.8176.9-750000110.8E131 A232 V233 H234 R238 V240E131-T236 HydrophobicContact CB-CG2 4.41Å; E131-T236 WeakPolarHBondContact OE2-CG2 3.45Å; E131-T236 PolarHBondContact OE2-OG1 2.59Å; A232-T236 PolarHBondContact O-N 3.41Å; V233-T236 PolarHBondContact O-N 3.12Å; V233-T236 VanDerWaalsContact O-N 3.12Å; H234-T236 VanDerWaalsContact C-N 3.31Å; T236-R238 HydrophobicContact CG2-CB 4.34Å; T236-R238 VanDerWaalsContact CG2-O 3.25Å; T236-R238 WeakPolarHBondContact CG2-O 3.42Å; T236-R238 PolarHBondContact O-N 2.62Å; T236-V240 HydrophobicContact CG2-CG2 3.99Å
237T75.9Confident90.4Very high139 Ų13945 Ų4585%0.85323%0.227SC*.  trans-74.4-6.8177.254.70000114.4E235E235-T237 PolarHBondContact O-N 2.91Å
238R77.9Confident90Very high138 Ų13844 Ų4452%0.52123%0.225SC..SBendtrans-106.1136.5-173-61.5-178.1-179.1147.6-1.9110.8E131 T236 V240E131-R238 WeakPolarHBondContact OE1-CD 3.44Å; E131-R238 IonicContact OE1-CZ 3.69Å; E131-R238 IonicContact OE1-NE 3.89Å; E131-R238 IonicContact OE1-NH1 3.96Å; E131-R238 PolarHBondContact OE1-NH1 3.39Å; T236-R238 HydrophobicContact CG2-CB 4.34Å; T236-R238 VanDerWaalsContact CG2-O 3.25Å; T236-R238 WeakPolarHBondContact CG2-O 3.42Å; T236-R238 PolarHBondContact O-N 2.62Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 HydrophobicContact CB-CG1 3.89Å; R238-V240 HydrophobicContact CB-CG2 4.42Å; R238-V240 PolarHBondContact O-N 3.39Å
239N83.6Confident89.4Confident97 Ų9743.7 Ų43.752%0.51923%0.227SC..  trans-74.587168.7-170.32000109.6Q102Q102-N239 WeakPolarHBondContact CG-OD1 3.43Å; Q102-N239 PolarHBondContact OE1-OD1 2.88Å
240V89.8Confident88.6Confident27 Ų2743.7 Ų43.716%0.16423%0.228CC..  trans-128.2148.4-178.9-67.40000110.7K129 E131 T236 R238K129-V240 HydrophobicContact CB-CG1 4.07Å; E131-V240 HydrophobicContact CB-CG2 4.19Å; E131-V240 HydrophobicContact CG-CG2 4.1Å; T236-V240 HydrophobicContact CG2-CG2 3.99Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 HydrophobicContact CB-CG1 3.89Å; R238-V240 HydrophobicContact CB-CG2 4.42Å; R238-V240 PolarHBondContact O-N 3.39Å
241P92.5Very high88.2Confident16 Ų1642.7 Ų42.710%0.10422%0.224CC..PPolyproline II helixtrans-67.8137-176.225.1-34.3000113K104 A105 I107 S128 C130K104-P241 WeakPolarHBondContact O-CB 3.38Å; A105-P241 VanDerWaalsContact O-CA 3.29Å; A105-P241 WeakPolarHBondContact O-CA 3.45Å; I107-P241 HydrophobicContact CD1-CB 3.83Å; I107-P241 HydrophobicContact CD1-CG 3.71Å; I107-P241 HydrophobicContact CG1-CB 3.87Å; I107-P241 HydrophobicContact CG1-CG 4.3Å; S128-P241 WeakPolarHBondContact O-CD 3.31Å; C130-P241 WeakPolarHBondContact CB-O 3.28Å; C130-P241 PolarHBondContact SG-O 3.3Å; C130-P241 VanDerWaalsContact SG-O 3.38Å
242M94.1Very high88Confident12 Ų1240.6 Ų40.66%0.05921%0.212CC..EExtended strand (participates in β ladder)trans-79.5127.7163.8-177.6-169.2-55.500109.6A105 F106 I107 I132 V134 I229 V233 V244A105-M242 PolarHBondContact O-N 3.2Å; F106-M242 CarbonylContact C-O 3.49Å; F106-M242 WeakPolarHBondContact CA-O 3.42Å; F106-M242 HydrophobicContact CD1-CB 3.98Å; F106-M242 HydrophobicContact CD1-SD 4.37Å; F106-M242 HydrophobicContact CE1-CB 4.29Å; F106-M242 HydrophobicContact CE1-CE 4.25Å; F106-M242 HydrophobicContact CE1-SD 4.18Å; I107-M242 PolarHBondContact N-O 3.23Å; I132-M242 HydrophobicContact CB-CG 4.13Å; I132-M242 HydrophobicContact CG2-CE 4.4Å; I132-M242 HydrophobicContact CG2-CG 3.86Å; I132-M242 HydrophobicContact CG2-SD 4.38Å; V134-M242 HydrophobicContact CG2-CG 4.03Å; V134-M242 HydrophobicContact CG2-SD 3.6Å; I229-M242 HydrophobicContact CG2-CE 3.44Å; I229-M242 VanDerWaalsContact CG2-CE 3.44Å; I229-M242 HydrophobicContact CG2-SD 4.02Å; V233-M242 HydrophobicContact CG2-CE 3.68Å; M242-V244 HydrophobicContact CG-CG2 4.14Å; M242-V244 HydrophobicContact SD-CG2 3.98Å
243I96.9Very high87.8Confident0 Ų040.4 Ų40.40%021%0.21CC..EExtended strand (participates in β ladder)trans-90.4121.7175.5-69.8168.9000108.8I107 T109 F121 M124 V125 C130 I132 V133 V134I107-I243 HydrophobicContact CB-CG1 3.9Å; I107-I243 HydrophobicContact CD1-CG1 4.13Å; I107-I243 HydrophobicContact CG2-CG1 4.19Å; I107-I243 CarbonylContact O-C 3.12Å; I107-I243 WeakPolarHBondContact O-CA 3.43Å; T109-I243 HydrophobicContact CG2-CG2 4.13Å; F121-I243 HydrophobicContact CE2-CG2 4.09Å; F121-I243 HydrophobicContact CZ-CG2 4.34Å; M124-I243 HydrophobicContact CE-CD1 3.96Å; M124-I243 HydrophobicContact CE-CG1 4.44Å; M124-I243 HydrophobicContact CE-CG2 4.08Å; M124-I243 HydrophobicContact CG-CD1 4.38Å; V125-I243 HydrophobicContact CB-CD1 4.29Å; V125-I243 HydrophobicContact CG2-CD1 3.65Å; C130-I243 HydrophobicContact CB-CD1 3.59Å; C130-I243 HydrophobicContact CB-CG1 4.01Å; C130-I243 VanDerWaalsContact SG-CD1 3.56Å; C130-I243 VanDerWaalsContact SG-CG1 3.58Å; I132-I243 PolarHBondContact O-N 2.88Å; V133-I243 CarbonylContact C-O 3.59Å; V133-I243 WeakPolarHBondContact CA-O 3.21Å; V133-I243 HydrophobicContact CG2-CB 4.24Å; V134-I243 PolarHBondContact N-O 3.02Å
244V95.7Very high87.6Confident0 Ų038.1 Ų38.10%020%0.197CC..EExtended strand (participates in β ladder)trans-117.3126.8176.8-174.40000110.2I107 V108 T109 V134 L136 M242 F256 L257I107-V244 PolarHBondContact O-N 2.93Å; V108-V244 WeakPolarHBondContact CA-O 3.3Å; T109-V244 PolarHBondContact N-O 2.82Å; T109-V244 VanDerWaalsContact N-O 3.08Å; V134-V244 HydrophobicContact CB-CB 4.47Å; V134-V244 HydrophobicContact CB-CG1 4.3Å; V134-V244 HydrophobicContact CB-CG2 4.11Å; V134-V244 HydrophobicContact CG1-CG1 4.4Å; V134-V244 HydrophobicContact CG2-CG2 4.38Å; V134-V244 CarbonylContact O-C 3.59Å; V134-V244 WeakPolarHBondContact O-CA 3.42Å; L136-V244 HydrophobicContact CD1-CG1 3.79Å; M242-V244 HydrophobicContact CG-CG2 4.14Å; M242-V244 HydrophobicContact SD-CG2 3.98Å; V244-F256 HydrophobicContact CG1-CD1 3.92Å; V244-F256 HydrophobicContact CG1-CE1 4.46Å; V244-F256 HydrophobicContact CG2-CD1 4.39Å; V244-F256 HydrophobicContact CG2-CE1 4.24Å; V244-L257 HydrophobicContact CG2-CD2 3.81Å; V244-L257 HydrophobicContact CG2-CG 4.31Å
245H95.3Very high87.7Confident0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-138.5154.1176.679.193.3000113.4T109 V134 M135 L136 Y150T109-H245 HydrophobicContact CG2-CB 3.59Å; T109-H245 VanDerWaalsContact O-CA 3.29Å; T109-H245 WeakPolarHBondContact O-CA 3.48Å; T109-H245 WeakPolarHBondContact O-CB 3.43Å; V134-H245 PolarHBondContact O-CD2 2.84Å; V134-H245 PolarHBondContact O-N 3.27Å; M135-H245 WeakPolarHBondContact CB-NE2 2.91Å; M135-H245 WeakPolarHBondContact CG-CE1 3.33Å; L136-H245 PolarHBondContact N-O 2.87Å; Y150-H245 AromaticContact CE1-CE1 3.58Å; Y150-H245 AromaticContact CE1-NE2 3.47Å; Y150-H245 WeakPolarHBondContact CE1-NE2 3.29Å; Y150-H245 AromaticContact CZ-NE2 3.46Å; Y150-H245 PolarHBondContact OH-NE2 3.49Å
246C91.9Very high87.9Confident0 Ų025.4 Ų25.40%014%0.138CC..  trans-136.5-144.2172.964.90000109.1A111 L136 G249 R252 S253A111-C246 VanDerWaalsContact CA-O 3.32Å; A111-C246 WeakPolarHBondContact CA-O 3.45Å; A111-C246 WeakPolarHBondContact CB-O 3.4Å; A111-C246 PolarHBondContact N-O 3.23Å; L136-C246 HydrophobicContact CB-CB 4.06Å; C246-G249 PolarHBondContact SG-N 3.25Å; C246-R252 HydrophobicContact CB-CB 3.78Å; C246-R252 HydrophobicContact CB-CG 4.42Å; C246-S253 PolarHBondContact N-OG 2.8Å; C246-S253 PolarHBondContact SG-OG 2.71Å
247S89.8Confident88.1Confident13 Ų1324.2 Ų24.29%0.09113%0.13CC..SBendtrans-69.2-50.1177.149.80000113.1Y65 A111Y65-S247 WeakPolarHBondContact CE2-O 3.4Å; A111-S247 WeakPolarHBondContact CB-O 3.38Å; A111-S247 PolarHBondContact N-O 3.26Å
248N84.8Confident88.7Confident26 Ų2617.6 Ų17.614%0.1399%0.089CC..SBendtrans-115.8-2.5-177.263.7-7.3000113.3Y65 I68 G250Y65-N248 HydrophobicContact CD1-CB 4.4Å; Y65-N248 HydrophobicContact CD2-CB 3.37Å; Y65-N248 HydrophobicContact CE2-CB 3.63Å; Y65-N248 HydrophobicContact CG-CB 3.82Å; I68-N248 HydrophobicContact CG1-CB 4.22Å; I68-N248 VanDerWaalsContact CG2-O 3.31Å; I68-N248 WeakPolarHBondContact CG2-O 3.3Å; N248-G250 PolarHBondContact O-N 3.08Å; N248-G250 PolarHBondContact OD1-N 3.36Å
249G82.1Confident89.4Confident12 Ų1211.1 Ų11.112%0.1247%0.065CC..SBendtrans73.112.7-173.700000114V108 T109 C246V108-G249 WeakPolarHBondContact CG1-O 3.48Å; T109-G249 WeakPolarHBondContact O-CA 3.45Å; C246-G249 PolarHBondContact SG-N 3.25Å
250G79.9Confident89.9Confident1 Ų16.7 Ų6.71%0.014%0.042CC..SBendtrans-108.6-100.9179.100000111.3N248 R252 S253 G254N248-G250 PolarHBondContact O-N 3.08Å; N248-G250 PolarHBondContact OD1-N 3.36Å; G250-R252 PolarHBondContact O-N 3.23Å; G250-S253 PolarHBondContact O-N 2.96Å; G250-G254 PolarHBondContact O-N 3.06Å
251G82.4Confident89.8Confident5 Ų55.6 Ų5.65%0.0524%0.035CC..Hα-helixtrans-47.2-58.4-164.500000116.3G254 V255 T284G251-G254 PolarHBondContact O-N 2.78Å; G251-V255 WeakPolarHBondContact O-CG2 3.36Å; G251-V255 PolarHBondContact O-N 2.81Å; G251-T284 WeakPolarHBondContact CA-OG1 3.5Å
252R89.3Confident89.7Confident18 Ų184.8 Ų4.87%0.0683%0.03CC..Hα-helixtrans-69.7-40.3-177.4-54.5179.7-156.5163.77.2112.6L136 T137 W211 V213 C246 G250 G254 V255 F256L136-R252 HydrophobicContact CB-CB 4.26Å; L136-R252 WeakPolarHBondContact O-CD 3.36Å; L136-R252 PolarHBondContact O-NH1 3.33Å; T137-R252 PolarHBondContact OG1-NH1 3.19Å; W211-R252 HydrophobicContact CD2-CB 4.19Å; W211-R252 HydrophobicContact CD2-CG 4.02Å; W211-R252 HydrophobicContact CE3-CB 4.27Å; W211-R252 HydrophobicContact CG-CG 4.44Å; W211-R252 HydrophobicContact CH2-CB 3.82Å; W211-R252 HydrophobicContact CH2-CG 4.39Å; W211-R252 WeakPolarHBondContact CH2-O 3.32Å; W211-R252 HydrophobicContact CZ2-CB 3.73Å; W211-R252 HydrophobicContact CZ2-CG 3.8Å; W211-R252 HydrophobicContact CZ3-CB 4.09Å; V213-R252 VanDerWaalsContact CG2-NH2 3.26Å; C246-R252 HydrophobicContact CB-CB 3.78Å; C246-R252 HydrophobicContact CB-CG 4.42Å; G250-R252 PolarHBondContact O-N 3.23Å; R252-G254 VanDerWaalsContact C-N 3.31Å; R252-G254 PolarHBondContact O-N 2.8Å; R252-V255 PolarHBondContact O-N 2.78Å; R252-F256 WeakPolarHBondContact O-CB 3.31Å; R252-F256 PolarHBondContact O-N 3.04Å
253S89.5Confident89.7Confident0 Ų04.8 Ų4.80%03%0.03CC..Hα-helixtrans-58.9-44.9174.5-62.50000110.9C246 G250 F256 L257C246-S253 PolarHBondContact N-OG 2.8Å; C246-S253 PolarHBondContact SG-OG 2.71Å; G250-S253 PolarHBondContact O-N 2.96Å; S253-F256 PolarHBondContact O-N 2.74Å; S253-L257 WeakPolarHBondContact O-CB 3.46Å; S253-L257 WeakPolarHBondContact O-CG 3.46Å; S253-L257 PolarHBondContact O-N 3.44Å
254G86.7Confident89.3Confident2 Ų26.2 Ų6.22%0.0214%0.038CC..Hα-helixtrans-67.9-41.1179.400000112.8G250 G251 R252 A258G250-G254 PolarHBondContact O-N 3.06Å; G251-G254 PolarHBondContact O-N 2.78Å; R252-G254 VanDerWaalsContact C-N 3.31Å; R252-G254 PolarHBondContact O-N 2.8Å; G254-A258 WeakPolarHBondContact O-CB 3.21Å; G254-A258 PolarHBondContact O-N 3.25Å
255V89.7Confident89Confident0 Ų06.9 Ų6.90%04%0.041CC..Hα-helixtrans-59.8-48.2173.11690000111.1W211 G251 R252 I259 L282 Q289 Y292 I293W211-V255 HydrophobicContact CH2-CB 4.1Å; W211-V255 HydrophobicContact CH2-CG1 3.94Å; W211-V255 HydrophobicContact CZ2-CB 4.32Å; W211-V255 HydrophobicContact CZ2-CG1 4.17Å; G251-V255 WeakPolarHBondContact O-CG2 3.36Å; G251-V255 PolarHBondContact O-N 2.81Å; R252-V255 PolarHBondContact O-N 2.78Å; V255-I259 HydrophobicContact CG1-CD1 4.02Å; V255-I259 WeakPolarHBondContact O-CG1 3.34Å; V255-I259 PolarHBondContact O-N 3.02Å; V255-I259 VanDerWaalsContact O-N 3.11Å; V255-L282 HydrophobicContact CG2-CD2 4.01Å; V255-Q289 HydrophobicContact CG2-CB 3.73Å; V255-Q289 HydrophobicContact CG2-CG 3.94Å; V255-Y292 HydrophobicContact CG1-CD1 3.74Å; V255-Y292 HydrophobicContact CG1-CE1 3.92Å; V255-I293 HydrophobicContact CB-CG1 4.49Å; V255-I293 HydrophobicContact CG1-CG1 4.05Å; V255-I293 HydrophobicContact CG2-CD1 4.24Å; V255-I293 HydrophobicContact CG2-CG1 4.46Å
256F92.9Very high88.8Confident2 Ų27 Ų71%0.0094%0.042CC..Hα-helixtrans-62.9-49.2179.4171.7-100.9000111.8V134 L136 L222 F225 I229 V244 R252 S253 A258 I259 H260V134-F256 HydrophobicContact CG1-CD1 4.43Å; V134-F256 HydrophobicContact CG1-CE1 4.05Å; V134-F256 HydrophobicContact CG1-CZ 4.24Å; V134-F256 HydrophobicContact CG2-CE1 4.43Å; L136-F256 HydrophobicContact CD1-CB 3.44Å; L136-F256 VanDerWaalsContact CD1-CB 3.44Å; L136-F256 HydrophobicContact CD1-CD1 4.11Å; L136-F256 HydrophobicContact CD1-CG 3.83Å; L136-F256 HydrophobicContact CD2-CD2 4.44Å; L136-F256 HydrophobicContact CD2-CG 4.35Å; L222-F256 HydrophobicContact CD1-CD2 4Å; F225-F256 HydrophobicContact CD1-CE2 4.1Å; F225-F256 HydrophobicContact CE1-CE2 4.34Å; I229-F256 HydrophobicContact CD1-CE2 4Å; I229-F256 HydrophobicContact CD1-CZ 3.55Å; V244-F256 HydrophobicContact CG1-CD1 3.92Å; V244-F256 HydrophobicContact CG1-CE1 4.46Å; V244-F256 HydrophobicContact CG2-CD1 4.39Å; V244-F256 HydrophobicContact CG2-CE1 4.24Å; R252-F256 WeakPolarHBondContact O-CB 3.31Å; R252-F256 PolarHBondContact O-N 3.04Å; S253-F256 PolarHBondContact O-N 2.74Å; F256-A258 PolarHBondContact O-N 2.93Å; F256-I259 PolarHBondContact O-N 3.29Å; F256-H260 HydrophobicContact CE1-CB 4.35Å; F256-H260 HydrophobicContact CZ-CB 4.27Å; F256-H260 VanDerWaalsContact O-CB 3.32Å; F256-H260 WeakPolarHBondContact O-CB 3.42Å; F256-H260 PolarHBondContact O-N 2.96Å
257L90.5Very high88.7Confident0 Ų012.4 Ų12.40%07%0.067CC..Hα-helixtrans-65.3-38-179.7-75.7178.3000112.5F106 V108 V244 S253 I259 H260 A261 L281F106-L257 HydrophobicContact CB-CD1 4.45Å; F106-L257 HydrophobicContact CB-CD2 4.35Å; F106-L257 HydrophobicContact CD1-CD2 3.42Å; F106-L257 VanDerWaalsContact CD1-CD2 3.42Å; F106-L257 HydrophobicContact CD2-CD2 4.36Å; F106-L257 HydrophobicContact CE1-CD2 3.75Å; F106-L257 HydrophobicContact CG-CD2 3.77Å; F106-L257 HydrophobicContact CZ-CD2 4.34Å; V108-L257 HydrophobicContact CG2-CD1 3.27Å; V244-L257 HydrophobicContact CG2-CD2 3.81Å; V244-L257 HydrophobicContact CG2-CG 4.31Å; S253-L257 WeakPolarHBondContact O-CB 3.46Å; S253-L257 WeakPolarHBondContact O-CG 3.46Å; S253-L257 PolarHBondContact O-N 3.44Å; L257-I259 VanDerWaalsContact C-N 3.3Å; L257-I259 PolarHBondContact O-N 3.25Å; L257-H260 PolarHBondContact O-N 3.2Å; L257-A261 WeakPolarHBondContact O-CB 3.37Å; L257-A261 PolarHBondContact O-N 3.42Å; L257-L281 HydrophobicContact CB-CD1 3.7Å; L257-L281 HydrophobicContact CB-CD2 3.96Å; L257-L281 HydrophobicContact CB-CG 4.45Å; L257-L281 HydrophobicContact CD1-CD2 3.69Å
258A88.3Confident88.6Confident0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-60.9-42.3174.800000110.7G254 F256 N262 L281 I293G254-A258 WeakPolarHBondContact O-CB 3.21Å; G254-A258 PolarHBondContact O-N 3.25Å; F256-A258 PolarHBondContact O-N 2.93Å; A258-N262 WeakPolarHBondContact O-CB 3.47Å; A258-N262 PolarHBondContact O-N 3.49Å; A258-N262 PolarHBondContact O-ND2 3.27Å; A258-L281 HydrophobicContact CB-CD1 4.4Å; A258-I293 HydrophobicContact CB-CD1 3.89Å; A258-I293 HydrophobicContact CB-CG1 4.41Å; A258-I293 HydrophobicContact CB-CG2 4.29Å
259I92.7Very high88.8Confident3 Ų320.6 Ų20.62%0.01510%0.103CC..Hα-helixtrans-69.1-48176-66.8164000110.8L222 L223 V255 F256 L257 N262 L263 Y292 I293 A296 L297L222-I259 HydrophobicContact CD2-CD1 3.61Å; L223-I259 HydrophobicContact CD2-CG2 4.28Å; V255-I259 HydrophobicContact CG1-CD1 4.02Å; V255-I259 WeakPolarHBondContact O-CG1 3.34Å; V255-I259 PolarHBondContact O-N 3.02Å; V255-I259 VanDerWaalsContact O-N 3.11Å; F256-I259 PolarHBondContact O-N 3.29Å; L257-I259 VanDerWaalsContact C-N 3.3Å; L257-I259 PolarHBondContact O-N 3.25Å; I259-N262 PolarHBondContact O-N 3.16Å; I259-L263 HydrophobicContact CG2-CD1 3.89Å; I259-L263 WeakPolarHBondContact O-CG 3.38Å; I259-L263 PolarHBondContact O-N 3.05Å; I259-L263 VanDerWaalsContact O-N 3.1Å; I259-Y292 HydrophobicContact CD1-CD1 4.21Å; I259-Y292 HydrophobicContact CD1-CE1 3.85Å; I259-I293 HydrophobicContact CD1-CG1 4.37Å; I259-I293 HydrophobicContact CG1-CB 4.32Å; I259-I293 HydrophobicContact CG1-CG1 4.17Å; I259-I293 HydrophobicContact CG1-CG2 4.04Å; I259-A296 HydrophobicContact CD1-CB 3.62Å; I259-A296 HydrophobicContact CG1-CB 4.08Å; I259-A296 HydrophobicContact CG2-CB 4.42Å; I259-L297 HydrophobicContact CG2-CD2 4.31Å
260H92.5Very high89.2Confident4 Ų425 Ų252%0.01912%0.124CC..Hα-helixtrans-59.6-53.8-175.2-179.968.5000111.7F106 R226 Q230 F256 L257 N262 L263 D264F106-H260 AromaticContact CE1-CD2 3.62Å; F106-H260 AromaticContact CE1-NE2 3.83Å; F106-H260 AromaticContact CZ-CD2 3.65Å; F106-H260 AromaticContact CZ-NE2 3.98Å; R226-H260 PolarHBondContact NE-ND1 2.73Å; Q230-H260 PolarHBondContact OE1-CE1 3.43Å; F256-H260 HydrophobicContact CE1-CB 4.35Å; F256-H260 HydrophobicContact CZ-CB 4.27Å; F256-H260 VanDerWaalsContact O-CB 3.32Å; F256-H260 WeakPolarHBondContact O-CB 3.42Å; F256-H260 PolarHBondContact O-N 2.96Å; L257-H260 PolarHBondContact O-N 3.2Å; H260-N262 PolarHBondContact O-N 2.85Å; H260-L263 PolarHBondContact O-N 2.86Å; H260-D264 IonicContact CD2-OD2 3.88Å; H260-D264 IonicContact CE1-OD2 3.89Å; H260-D264 IonicContact NE2-OD2 3.52Å; H260-D264 PolarHBondContact O-N 3.38Å
261A89.3Confident89.8Confident3 Ų326.6 Ų26.63%0.02513%0.134CC..Hα-helixtrans-71.4-31.5-177.700000113.6V97 L257 L263 D264 L265 Y277V97-A261 HydrophobicContact CB-CB 4.11Å; V97-A261 HydrophobicContact CG1-CB 3.21Å; L257-A261 WeakPolarHBondContact O-CB 3.37Å; L257-A261 PolarHBondContact O-N 3.42Å; A261-L263 VanDerWaalsContact C-N 3.27Å; A261-L263 PolarHBondContact O-N 3.24Å; A261-D264 PolarHBondContact O-N 3.09Å; A261-L265 WeakPolarHBondContact O-CB 3.28Å; A261-L265 PolarHBondContact O-N 3.07Å; A261-Y277 HydrophobicContact CB-CE1 4.41Å; A261-Y277 HydrophobicContact CB-CE2 4.29Å
262N90.2Very high90.2Very high0 Ų026.4 Ų26.40%013%0.131CC..Hα-helixtrans-65.2-33.5172.4-90.8-68.9000112.3A258 I259 H260 A266 I272 D273 V274 Y277 L297A258-N262 WeakPolarHBondContact O-CB 3.47Å; A258-N262 PolarHBondContact O-N 3.49Å; A258-N262 PolarHBondContact O-ND2 3.27Å; I259-N262 PolarHBondContact O-N 3.16Å; H260-N262 PolarHBondContact O-N 2.85Å; N262-A266 VanDerWaalsContact O-CB 3.3Å; N262-A266 WeakPolarHBondContact O-CB 3.31Å; N262-A266 PolarHBondContact O-N 3.12Å; N262-I272 HydrophobicContact CB-CG2 4.19Å; N262-I272 VanDerWaalsContact OD1-CG2 3.29Å; N262-I272 WeakPolarHBondContact OD1-CG2 3.31Å; N262-D273 WeakPolarHBondContact OD1-CA 3.49Å; N262-D273 PolarHBondContact OD1-N 2.79Å; N262-D273 PolarHBondContact OD1-O 2.9Å; N262-V274 PolarHBondContact OD1-N 3.3Å; N262-Y277 HydrophobicContact CB-CD2 4.45Å; N262-Y277 VanDerWaalsContact CG-CD2 3.47Å; N262-Y277 VanDerWaalsContact ND2-CD2 3.3Å; N262-Y277 WeakPolarHBondContact ND2-CD2 3.32Å; N262-Y277 WeakPolarHBondContact OD1-CD2 3.5Å; N262-L297 HydrophobicContact CB-CD1 3.76Å; N262-L297 HydrophobicContact CB-CD2 3.58Å; N262-L297 HydrophobicContact CB-CG 4.33Å
263L92.4Very high90.1Very high11 Ų1127.1 Ų27.16%0.05814%0.137CC..Hα-helixtrans-75-37.2176.6-69.6172.7000111.4L223 R226 I259 H260 A261 L265 A266 E267 L297 A300L223-L263 HydrophobicContact CD2-CD1 3.87Å; R226-L263 VanDerWaalsContact CD-CD1 3.46Å; R226-L263 VanDerWaalsContact NH2-CB 3.3Å; I259-L263 HydrophobicContact CG2-CD1 3.89Å; I259-L263 WeakPolarHBondContact O-CG 3.38Å; I259-L263 PolarHBondContact O-N 3.05Å; I259-L263 VanDerWaalsContact O-N 3.1Å; H260-L263 PolarHBondContact O-N 2.86Å; A261-L263 VanDerWaalsContact C-N 3.27Å; A261-L263 PolarHBondContact O-N 3.24Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-A266 PolarHBondContact O-N 3.1Å; L263-E267 WeakPolarHBondContact O-CB 3.35Å; L263-E267 WeakPolarHBondContact O-CG 3.15Å; L263-E267 PolarHBondContact O-N 3.17Å; L263-L297 HydrophobicContact CD1-CD2 4.39Å; L263-L297 HydrophobicContact CD2-CD2 3.73Å; L263-L297 HydrophobicContact CG-CD2 3.63Å; L263-A300 HydrophobicContact CD1-CB 4.15Å; L263-A300 HydrophobicContact CD2-CB 3.57Å
264D90.2Very high89.9Confident30 Ų3027.2 Ų27.216%0.1614%0.137CC..Hα-helixtrans-59.9-46.7170.5-58.9-19.8000110.4R226 H260 A261 A266 E267 E268R226-D264 IonicContact CZ-OD1 3Å; R226-D264 IonicContact NH2-OD1 3.12Å; R226-D264 PolarHBondContact NH2-OD1 3.3Å; H260-D264 IonicContact CD2-OD2 3.88Å; H260-D264 IonicContact CE1-OD2 3.89Å; H260-D264 IonicContact NE2-OD2 3.52Å; H260-D264 PolarHBondContact O-N 3.38Å; A261-D264 PolarHBondContact O-N 3.09Å; D264-A266 VanDerWaalsContact C-N 3.31Å; D264-A266 PolarHBondContact O-N 3.19Å; D264-E267 PolarHBondContact O-N 3.3Å; D264-E268 WeakPolarHBondContact O-CG 3.34Å; D264-E268 PolarHBondContact O-N 3.24Å
265L88.9Confident89.5Confident14 Ų1429.3 Ų29.37%0.07315%0.145CC..Hα-helixtrans-61.6-37.5176-176.167.6000112.5A261 L263 E269 V271 D273 Y277A261-L265 WeakPolarHBondContact O-CB 3.28Å; A261-L265 PolarHBondContact O-N 3.07Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L265-E269 HydrophobicContact CD1-CB 4.03Å; L265-E269 HydrophobicContact CD1-CG 3.99Å; L265-E269 WeakPolarHBondContact O-CA 3.33Å; L265-E269 WeakPolarHBondContact O-CB 2.91Å; L265-E269 PolarHBondContact O-N 3.42Å; L265-V271 CarbonylContact C-O 3.58Å; L265-V271 HydrophobicContact CD1-CG2 4.14Å; L265-V271 HydrophobicContact CD2-CG2 3.99Å; L265-V271 HydrophobicContact CG-CG2 3.87Å; L265-V271 WeakPolarHBondContact CG-O 3.4Å; L265-D273 HydrophobicContact CD2-CB 4.1Å; L265-Y277 HydrophobicContact CB-CE2 4.41Å; L265-Y277 HydrophobicContact CD2-CE2 3.85Å
266A90.9Very high88.9Confident3 Ų329.9 Ų29.93%0.02515%0.151CC..Hα-helixtrans-68-40.2177.100000111.7M27 N262 L263 D264 N270 V271 I272M27-A266 HydrophobicContact SD-CB 4.11Å; N262-A266 VanDerWaalsContact O-CB 3.3Å; N262-A266 WeakPolarHBondContact O-CB 3.31Å; N262-A266 PolarHBondContact O-N 3.12Å; L263-A266 PolarHBondContact O-N 3.1Å; D264-A266 VanDerWaalsContact C-N 3.31Å; D264-A266 PolarHBondContact O-N 3.19Å; A266-N270 VanDerWaalsContact O-CA 3.23Å; A266-N270 WeakPolarHBondContact O-CA 3.08Å; A266-N270 PolarHBondContact O-N 2.86Å; A266-N270 VanDerWaalsContact O-N 3.07Å; A266-V271 WeakPolarHBondContact CA-O 3.42Å; A266-V271 PolarHBondContact N-O 3.21Å; A266-I272 HydrophobicContact CB-CD1 4.34Å; A266-I272 HydrophobicContact CB-CG1 3.9Å
267E88.8Confident88.2Confident113 Ų11331 Ų3153%0.52816%0.155SC..Hα-helixtrans-65.4-38.6176.9-71.4164.9-151.700111.5R226 L263 D264R226-E267 IonicContact CZ-OE1 2.99Å; R226-E267 IonicContact NH1-OE1 2.9Å; R226-E267 PolarHBondContact NH1-OE1 3.05Å; R226-E267 IonicContact NH2-OE1 2.7Å; R226-E267 PolarHBondContact NH2-OE1 2.71Å; R226-E267 IonicContact NH2-OE2 3.65Å; L263-E267 WeakPolarHBondContact O-CB 3.35Å; L263-E267 WeakPolarHBondContact O-CG 3.15Å; L263-E267 PolarHBondContact O-N 3.17Å; D264-E267 PolarHBondContact O-N 3.3Å
268E87.9Confident87.4Confident113 Ų11331 Ų3153%0.52816%0.155SC..Hα-helixtrans-85.4-48.7-177.3-68.4178177.200113.6D264D264-E268 WeakPolarHBondContact O-CG 3.34Å; D264-E268 PolarHBondContact O-N 3.24Å
269E89.4Confident86.4Confident98 Ų9839.2 Ų39.246%0.45819%0.186SC..Hα-helixtrans-116.30.8-166.8-63.9-66.6160.600113.1L265 V271L265-E269 HydrophobicContact CD1-CB 4.03Å; L265-E269 HydrophobicContact CD1-CG 3.99Å; L265-E269 WeakPolarHBondContact O-CA 3.33Å; L265-E269 WeakPolarHBondContact O-CB 2.91Å; L265-E269 PolarHBondContact O-N 3.42Å; E269-V271 HydrophobicContact CB-CG2 3.82Å; E269-V271 PolarHBondContact O-N 3.38Å; E269-V271 VanDerWaalsContact O-N 3.15Å
270N91.2Very high85Confident105 Ų10542.8 Ų42.856%0.56121%0.208SC*.SBendtrans55.527.7-176.5-66.8-87.4000113.8M27 A266M27-N270 VanDerWaalsContact CB-O 3.3Å; M27-N270 WeakPolarHBondContact CB-O 3.26Å; M27-N270 PolarHBondContact N-O 3.34Å; A266-N270 VanDerWaalsContact O-CA 3.23Å; A266-N270 WeakPolarHBondContact O-CA 3.08Å; A266-N270 PolarHBondContact O-N 2.86Å; A266-N270 VanDerWaalsContact O-N 3.07Å
271V91.9Very high83.7Confident35 Ų3543.1 Ų43.121%0.21221%0.21CC..EExtended strand (participates in β ladder)trans-130.4155.4177.7-62.40000111.6P24 I25 L265 A266 E269P24-V271 HydrophobicContact CB-CB 3.83Å; P24-V271 HydrophobicContact CB-CG1 4.42Å; P24-V271 HydrophobicContact CB-CG2 3.93Å; I25-V271 CarbonylContact O-C 3.6Å; I25-V271 VanDerWaalsContact O-CA 3.31Å; I25-V271 WeakPolarHBondContact O-CA 3.28Å; L265-V271 CarbonylContact C-O 3.58Å; L265-V271 HydrophobicContact CD1-CG2 4.14Å; L265-V271 HydrophobicContact CD2-CG2 3.99Å; L265-V271 HydrophobicContact CG-CG2 3.87Å; L265-V271 WeakPolarHBondContact CG-O 3.4Å; A266-V271 WeakPolarHBondContact CA-O 3.42Å; A266-V271 PolarHBondContact N-O 3.21Å; E269-V271 HydrophobicContact CB-CG2 3.82Å; E269-V271 PolarHBondContact O-N 3.38Å; E269-V271 VanDerWaalsContact O-N 3.15Å
272I90.8Very high82.4Confident0 Ų043.3 Ų43.30%021%0.211CC..EExtended strand (participates in β ladder)trans-128.1125.8178.5-65.5173.8000108.4I25 F30 N262 A266 V274 L297 V301I25-I272 PolarHBondContact N-O 3.49Å; I25-I272 PolarHBondContact O-N 2.74Å; F30-I272 HydrophobicContact CB-CD1 4.08Å; F30-I272 HydrophobicContact CD1-CD1 3.68Å; F30-I272 HydrophobicContact CD2-CB 3.88Å; F30-I272 HydrophobicContact CD2-CD1 3.94Å; F30-I272 HydrophobicContact CD2-CG1 4.48Å; F30-I272 HydrophobicContact CD2-CG2 3.86Å; F30-I272 HydrophobicContact CE1-CD1 4.07Å; F30-I272 HydrophobicContact CE1-CG2 4.46Å; F30-I272 HydrophobicContact CE2-CB 3.96Å; F30-I272 HydrophobicContact CE2-CD1 4.29Å; F30-I272 HydrophobicContact CE2-CG2 3.39Å; F30-I272 HydrophobicContact CG-CB 4.44Å; F30-I272 HydrophobicContact CG-CD1 3.61Å; F30-I272 HydrophobicContact CZ-CD1 4.34Å; F30-I272 HydrophobicContact CZ-CG2 3.73Å; N262-I272 HydrophobicContact CB-CG2 4.19Å; N262-I272 VanDerWaalsContact OD1-CG2 3.29Å; N262-I272 WeakPolarHBondContact OD1-CG2 3.31Å; A266-I272 HydrophobicContact CB-CD1 4.34Å; A266-I272 HydrophobicContact CB-CG1 3.9Å; I272-V274 HydrophobicContact CG2-CG2 3.76Å; I272-L297 HydrophobicContact CG2-CD1 3.89Å; I272-V301 HydrophobicContact CD1-CG2 3.6Å
273D88Confident80.8Confident34 Ų3446.3 Ų46.318%0.18223%0.227CC..  trans-121.770.6179.4-172.310.6000112P24 N262 L265 Y275 G276 Y277P24-D273 HydrophobicContact CB-CB 4.18Å; P24-D273 HydrophobicContact CG-CB 4.13Å; N262-D273 WeakPolarHBondContact OD1-CA 3.49Å; N262-D273 PolarHBondContact OD1-N 2.79Å; N262-D273 PolarHBondContact OD1-O 2.9Å; L265-D273 HydrophobicContact CD2-CB 4.1Å; D273-Y275 VanDerWaalsContact C-N 3.27Å; D273-Y275 PolarHBondContact O-N 3.36Å; D273-G276 PolarHBondContact OD1-N 3.46Å; D273-G276 WeakPolarHBondContact OD2-CA 3.38Å; D273-Y277 HydrophobicContact CB-CD2 4.49Å; D273-Y277 WeakPolarHBondContact O-CD2 3.42Å; D273-Y277 PolarHBondContact O-N 3.25Å
274V84.8Confident79Confident1 Ų147.1 Ų47.11%0.00623%0.232CC..Hα-helixtrans-57.9-42178.2-176.50000111.4F30 N262 I272 C278 I293 Y294 L297F30-V274 HydrophobicContact CE2-CG2 4.03Å; F30-V274 HydrophobicContact CZ-CG2 3.97Å; N262-V274 PolarHBondContact OD1-N 3.3Å; I272-V274 HydrophobicContact CG2-CG2 3.76Å; V274-C278 WeakPolarHBondContact O-CB 3.34Å; V274-C278 PolarHBondContact O-N 3.43Å; V274-C278 PolarHBondContact O-SG 2.95Å; V274-I293 HydrophobicContact CG1-CG2 3.82Å; V274-Y294 HydrophobicContact CB-CE1 3.85Å; V274-Y294 HydrophobicContact CB-CE2 4.3Å; V274-Y294 HydrophobicContact CG1-CD2 4.24Å; V274-Y294 HydrophobicContact CG1-CE1 4.12Å; V274-Y294 HydrophobicContact CG1-CE2 3.72Å; V274-Y294 HydrophobicContact CG2-CD1 3.96Å; V274-Y294 HydrophobicContact CG2-CE1 3.61Å; V274-L297 HydrophobicContact CG2-CD1 3.48Å; V274-L297 VanDerWaalsContact CG2-CD1 3.48Å
275Y77.6Confident77.2Confident46 Ų4652 Ų5218%0.1826%0.258CS..Hα-helixtrans-69.4-47.8-175.5172.5-102.4000111.9V20 E47 D273 Y277 C278 R279V20-Y275 HydrophobicContact CG1-CD1 4.12Å; V20-Y275 HydrophobicContact CG1-CD2 3.43Å; V20-Y275 VanDerWaalsContact CG1-CD2 3.43Å; V20-Y275 HydrophobicContact CG1-CE1 4.15Å; V20-Y275 HydrophobicContact CG1-CE2 3.47Å; V20-Y275 VanDerWaalsContact CG1-CE2 3.47Å; V20-Y275 HydrophobicContact CG1-CG 3.78Å; E47-Y275 WeakPolarHBondContact OE2-CE2 3.47Å; E47-Y275 PolarHBondContact OE2-OH 3.36Å; D273-Y275 VanDerWaalsContact C-N 3.27Å; D273-Y275 PolarHBondContact O-N 3.36Å; Y275-Y277 VanDerWaalsContact C-N 3.28Å; Y275-Y277 PolarHBondContact O-N 3.31Å; Y275-C278 PolarHBondContact O-N 2.98Å; Y275-R279 WeakPolarHBondContact O-CB 3.47Å; Y275-R279 PolarHBondContact O-N 3.33Å
276G76.8Confident76Confident12 Ų1255.8 Ų55.812%0.12428%0.278CS..Hα-helixtrans-57.9-41.4177.900000112.6D273 T280D273-G276 PolarHBondContact OD1-N 3.46Å; D273-G276 WeakPolarHBondContact OD2-CA 3.38Å; G276-T280 PolarHBondContact O-OG1 3.25Å
277Y78.1Confident75Confident25 Ų2559.5 Ų59.510%0.09830%0.295CS..Hα-helixtrans-72.7-44.8177.2-71.7-44.4000114V97 A261 N262 L265 D273 Y275 R279 T280 L281V97-Y277 HydrophobicContact CB-CD1 4.38Å; V97-Y277 HydrophobicContact CB-CE1 4.2Å; V97-Y277 HydrophobicContact CG1-CD1 3.16Å; V97-Y277 HydrophobicContact CG1-CE1 3.23Å; V97-Y277 HydrophobicContact CG1-CG 4.04Å; V97-Y277 WeakPolarHBondContact O-CE1 3.37Å; V97-Y277 PolarHBondContact O-OH 3.38Å; A261-Y277 HydrophobicContact CB-CE1 4.41Å; A261-Y277 HydrophobicContact CB-CE2 4.29Å; N262-Y277 HydrophobicContact CB-CD2 4.45Å; N262-Y277 VanDerWaalsContact CG-CD2 3.47Å; N262-Y277 VanDerWaalsContact ND2-CD2 3.3Å; N262-Y277 WeakPolarHBondContact ND2-CD2 3.32Å; N262-Y277 WeakPolarHBondContact OD1-CD2 3.5Å; L265-Y277 HydrophobicContact CB-CE2 4.41Å; L265-Y277 HydrophobicContact CD2-CE2 3.85Å; D273-Y277 HydrophobicContact CB-CD2 4.49Å; D273-Y277 WeakPolarHBondContact O-CD2 3.42Å; D273-Y277 PolarHBondContact O-N 3.25Å; Y275-Y277 VanDerWaalsContact C-N 3.28Å; Y275-Y277 PolarHBondContact O-N 3.31Å; Y277-R279 VanDerWaalsContact C-N 3.31Å; Y277-R279 PolarHBondContact O-N 3.14Å; Y277-T280 PolarHBondContact O-N 3.48Å; Y277-T280 VanDerWaalsContact O-N 3.12Å; Y277-L281 VanDerWaalsContact O-CB 3.28Å; Y277-L281 WeakPolarHBondContact O-CB 3.34Å; Y277-L281 WeakPolarHBondContact O-CG 3.48Å; Y277-L281 PolarHBondContact O-N 3.17Å
278C75.2Confident74.6Confident1 Ų158.8 Ų58.81%0.00730%0.295CS..Hα-helixtrans-65.6-35-179.5-70.60000112.5V274 Y275 T280 L281 L282 Y290V274-C278 WeakPolarHBondContact O-CB 3.34Å; V274-C278 PolarHBondContact O-N 3.43Å; V274-C278 PolarHBondContact O-SG 2.95Å; Y275-C278 PolarHBondContact O-N 2.98Å; C278-T280 PolarHBondContact O-N 3.04Å; C278-L281 PolarHBondContact O-N 2.92Å; C278-L282 HydrophobicContact CB-CD1 3.67Å; C278-L282 HydrophobicContact CB-CG 4.17Å; C278-L282 WeakPolarHBondContact O-CB 3.29Å; C278-L282 PolarHBondContact O-N 2.64Å; C278-L282 VanDerWaalsContact SG-CD1 3.53Å; C278-Y290 HydrophobicContact CB-CE1 3.49Å; C278-Y290 VanDerWaalsContact CB-CE1 3.49Å; C278-Y290 WeakPolarHBondContact CB-OH 3.18Å
279R66.6Low74.4Confident172 Ų17254.5 Ų54.565%0.64928%0.275SS*.Hα-helixtrans-57.6-31.6174-170.7179.770.1-178.4-0.4112.5Y275 Y277Y275-R279 WeakPolarHBondContact O-CB 3.47Å; Y275-R279 PolarHBondContact O-N 3.33Å; Y277-R279 VanDerWaalsContact C-N 3.31Å; Y277-R279 PolarHBondContact O-N 3.14Å
280T63.3Low73.9Confident78 Ų7851.3 Ų51.348%0.47926%0.259SS..Hα-helixtrans-92.3-29.7-177.6-49.50000112.4I95 G276 Y277 C278I95-T280 HydrophobicContact CG2-CG2 4.05Å; G276-T280 PolarHBondContact O-OG1 3.25Å; Y277-T280 PolarHBondContact O-N 3.48Å; Y277-T280 VanDerWaalsContact O-N 3.12Å; C278-T280 PolarHBondContact O-N 3.04Å
281L66.2Low73.7Confident12 Ų1247.4 Ų47.46%0.06324%0.238CC..Hα-helixtrans-109.9-28.2-165.3-72.1169.2000115.6I95 V97 L257 A258 Y277 C278I95-L281 HydrophobicContact CB-CD2 4.35Å; I95-L281 HydrophobicContact CG1-CD2 4.2Å; I95-L281 HydrophobicContact CG2-CD2 3.71Å; V97-L281 HydrophobicContact CG1-CD1 3.95Å; V97-L281 HydrophobicContact CG2-CD1 4.23Å; V97-L281 HydrophobicContact CG2-CD2 4.04Å; V97-L281 HydrophobicContact CG2-CG 4.45Å; L257-L281 HydrophobicContact CB-CD1 3.7Å; L257-L281 HydrophobicContact CB-CD2 3.96Å; L257-L281 HydrophobicContact CB-CG 4.45Å; L257-L281 HydrophobicContact CD1-CD2 3.69Å; A258-L281 HydrophobicContact CB-CD1 4.4Å; Y277-L281 VanDerWaalsContact O-CB 3.28Å; Y277-L281 WeakPolarHBondContact O-CB 3.34Å; Y277-L281 WeakPolarHBondContact O-CG 3.48Å; Y277-L281 PolarHBondContact O-N 3.17Å; C278-L281 PolarHBondContact O-N 2.92Å
282L60.6Low73.6Confident6 Ų646.4 Ų46.43%0.03123%0.23CC..  trans-95.4107.8-172.7-68.9179.2000111.5L48 V255 C278 T284 Y290 I293L48-L282 VanDerWaalsContact CD1-O 3.27Å; L48-L282 WeakPolarHBondContact CD1-O 3.49Å; V255-L282 HydrophobicContact CG2-CD2 4.01Å; C278-L282 HydrophobicContact CB-CD1 3.67Å; C278-L282 HydrophobicContact CB-CG 4.17Å; C278-L282 WeakPolarHBondContact O-CB 3.29Å; C278-L282 PolarHBondContact O-N 2.64Å; C278-L282 VanDerWaalsContact SG-CD1 3.53Å; L282-T284 VanDerWaalsContact C-N 3.26Å; L282-T284 PolarHBondContact O-N 2.97Å; L282-Y290 HydrophobicContact CD1-CD2 3.96Å; L282-Y290 HydrophobicContact CD1-CE1 4.33Å; L282-Y290 HydrophobicContact CD1-CE2 3.58Å; L282-I293 HydrophobicContact CD1-CD1 3.85Å; L282-I293 HydrophobicContact CD2-CD1 4.49Å
283N57.3Low73.6Confident63 Ų6346.4 Ų46.434%0.33723%0.23SC..  trans-85.810.9168.6-74.8-14.7000113.3I68I68-N283 HydrophobicContact CD1-CB 4.17Å
284T54.6Low73.7Confident28 Ų2845.3 Ų45.317%0.17222%0.224CC..  trans-127.2122.8-172.847.70000112.3G251 L282 L286 Q289G251-T284 WeakPolarHBondContact CA-OG1 3.5Å; L282-T284 VanDerWaalsContact C-N 3.26Å; L282-T284 PolarHBondContact O-N 2.97Å; T284-L286 PolarHBondContact O-N 3.47Å; T284-Q289 PolarHBondContact OG1-OE1 2.88Å
285N52Low74.1Confident132 Ų13247.5 Ų47.571%0.70624%0.235SC*.  trans-73.628.1-179.2-62.6-26.2000114.2Q287N285-Q287 PolarHBondContact O-N 2.8Å
286L64.3Low74.9Confident95 Ų9545.3 Ų45.350%0.49723%0.227SC..  trans-90.4105.1-172.9-68.6174000110.5T284 D288 Q289T284-L286 PolarHBondContact O-N 3.47Å; L286-D288 PolarHBondContact O-N 3.02Å; L286-D288 VanDerWaalsContact O-N 3.13Å; L286-Q289 HydrophobicContact CB-CB 4.41Å; L286-Q289 HydrophobicContact CB-CG 3.93Å; L286-Q289 WeakPolarHBondContact O-CB 3.36Å; L286-Q289 PolarHBondContact O-N 3.17Å
287Q69.9Low75.8Confident81 Ų8144.8 Ų44.838%0.37922%0.221SC..Hα-helixtrans-49.8-37.3176.4-175.9176.911.900113R41 F44 N285 Q289 Y290 I291R41-Q287 PolarHBondContact O-NE2 2.82Å; F44-Q287 HydrophobicContact CB-CG 4Å; N285-Q287 PolarHBondContact O-N 2.8Å; Q287-Q289 VanDerWaalsContact C-N 3.3Å; Q287-Q289 PolarHBondContact O-N 2.86Å; Q287-Y290 PolarHBondContact O-N 2.88Å; Q287-I291 HydrophobicContact CG-CD1 4.11Å; Q287-I291 WeakPolarHBondContact O-CG1 3.49Å; Q287-I291 PolarHBondContact O-N 3.08Å; Q287-I291 VanDerWaalsContact O-N 3.13Å
288D79.8Confident76.5Confident98 Ų9844 Ų4452%0.52422%0.219SC..Hα-helixtrans-65.2-31.9-180-66.1-33.1000112.7L216 L286 Y292L216-D288 HydrophobicContact CD1-CB 4.31Å; L286-D288 PolarHBondContact O-N 3.02Å; L286-D288 VanDerWaalsContact O-N 3.13Å; D288-Y292 VanDerWaalsContact O-CB 3.27Å; D288-Y292 WeakPolarHBondContact O-CB 3.34Å; D288-Y292 PolarHBondContact O-N 3.33Å
289Q82.9Confident77.4Confident23 Ų2344.9 Ų44.911%0.10722%0.224CC..Hα-helixtrans-70.5-39.9177.3-68.4-179.1-9.100111.8L216 V255 T284 L286 Q287 Y292 I293L216-Q289 HydrophobicContact CD2-CG 4.29Å; V255-Q289 HydrophobicContact CG2-CB 3.73Å; V255-Q289 HydrophobicContact CG2-CG 3.94Å; T284-Q289 PolarHBondContact OG1-OE1 2.88Å; L286-Q289 HydrophobicContact CB-CB 4.41Å; L286-Q289 HydrophobicContact CB-CG 3.93Å; L286-Q289 WeakPolarHBondContact O-CB 3.36Å; L286-Q289 PolarHBondContact O-N 3.17Å; Q287-Q289 VanDerWaalsContact C-N 3.3Å; Q287-Q289 PolarHBondContact O-N 2.86Å; Q289-Y292 WeakPolarHBondContact O-CB 3.39Å; Q289-Y292 PolarHBondContact O-N 2.96Å; Q289-I293 VanDerWaalsContact O-CG1 3.31Å; Q289-I293 WeakPolarHBondContact O-CG1 3.18Å; Q289-I293 PolarHBondContact O-N 3.24Å
290Y80.9Confident78.7Confident30 Ų3037.8 Ų37.812%0.11820%0.202CC..Hα-helixtrans-61.4-49.8173.9-96-85.2000111.2C278 L282 Q287 Y292 I293 Y294C278-Y290 HydrophobicContact CB-CE1 3.49Å; C278-Y290 VanDerWaalsContact CB-CE1 3.49Å; C278-Y290 WeakPolarHBondContact CB-OH 3.18Å; L282-Y290 HydrophobicContact CD1-CD2 3.96Å; L282-Y290 HydrophobicContact CD1-CE1 4.33Å; L282-Y290 HydrophobicContact CD1-CE2 3.58Å; Q287-Y290 PolarHBondContact O-N 2.88Å; Y290-Y292 PolarHBondContact O-N 3.41Å; Y290-I293 PolarHBondContact O-N 2.73Å; Y290-I293 VanDerWaalsContact O-N 3.16Å; Y290-Y294 HydrophobicContact CD1-CE2 4.35Å; Y290-Y294 VanDerWaalsContact O-CD2 3.23Å; Y290-Y294 WeakPolarHBondContact O-CD2 3.4Å; Y290-Y294 PolarHBondContact O-N 3.36Å; Y290-Y294 VanDerWaalsContact O-N 3.13Å
291I85Confident80Confident23 Ų2335.1 Ų35.112%0.11819%0.186CC..Hα-helixtrans-55.2-44176.5-66.8168.2000110F44 Q287 Y294 D295F44-I291 HydrophobicContact CD1-CG1 4.48Å; F44-I291 HydrophobicContact CD2-CD1 4.13Å; F44-I291 HydrophobicContact CD2-CG1 3.69Å; F44-I291 HydrophobicContact CE1-CG1 4.3Å; F44-I291 HydrophobicContact CE2-CD1 4.12Å; F44-I291 HydrophobicContact CE2-CG1 3.5Å; F44-I291 HydrophobicContact CG-CG1 4.21Å; F44-I291 HydrophobicContact CZ-CG1 3.82Å; Q287-I291 HydrophobicContact CG-CD1 4.11Å; Q287-I291 WeakPolarHBondContact O-CG1 3.49Å; Q287-I291 PolarHBondContact O-N 3.08Å; Q287-I291 VanDerWaalsContact O-N 3.13Å; I291-Y294 PolarHBondContact O-N 2.81Å; I291-D295 WeakPolarHBondContact O-CB 3.48Å; I291-D295 PolarHBondContact O-N 2.81Å
292Y90.5Very high81.1Confident15 Ų1536.9 Ų36.96%0.05919%0.193CC..Hα-helixtrans-62.6-41.1178.7-179.5-94.5000113.9L216 P217 V219 L222 V255 I259 D288 Q289 Y290 D295 A296L216-Y292 HydrophobicContact CB-CD2 3.8Å; L216-Y292 HydrophobicContact CB-CE2 3.99Å; L216-Y292 HydrophobicContact CB-CG 4.25Å; L216-Y292 HydrophobicContact CD1-CD2 3.92Å; L216-Y292 HydrophobicContact CD1-CG 3.83Å; L216-Y292 HydrophobicContact CD2-CD1 3.87Å; L216-Y292 HydrophobicContact CD2-CD2 4.22Å; L216-Y292 HydrophobicContact CD2-CE1 4.37Å; L216-Y292 HydrophobicContact CD2-CG 3.79Å; L216-Y292 HydrophobicContact CG-CD2 4.19Å; L216-Y292 HydrophobicContact CG-CG 4.16Å; P217-Y292 WeakPolarHBondContact O-CE2 3.2Å; P217-Y292 PolarHBondContact O-OH 2.93Å; V219-Y292 HydrophobicContact CG2-CD2 4.18Å; V219-Y292 HydrophobicContact CG2-CE2 3.57Å; L222-Y292 HydrophobicContact CD2-CE1 3.72Å; L222-Y292 WeakPolarHBondContact CD2-OH 3.45Å; V255-Y292 HydrophobicContact CG1-CD1 3.74Å; V255-Y292 HydrophobicContact CG1-CE1 3.92Å; I259-Y292 HydrophobicContact CD1-CD1 4.21Å; I259-Y292 HydrophobicContact CD1-CE1 3.85Å; D288-Y292 VanDerWaalsContact O-CB 3.27Å; D288-Y292 WeakPolarHBondContact O-CB 3.34Å; D288-Y292 PolarHBondContact O-N 3.33Å; Q289-Y292 WeakPolarHBondContact O-CB 3.39Å; Q289-Y292 PolarHBondContact O-N 2.96Å; Y290-Y292 PolarHBondContact O-N 3.41Å; Y292-D295 PolarHBondContact O-N 2.94Å; Y292-A296 WeakPolarHBondContact O-CB 3.37Å; Y292-A296 PolarHBondContact O-N 2.84Å
293I91Very high82.5Confident0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-60.8-47.2175.6-67.2161.4000110.1V255 A258 I259 V274 L282 Q289 Y290 D295 A296 L297V255-I293 HydrophobicContact CB-CG1 4.49Å; V255-I293 HydrophobicContact CG1-CG1 4.05Å; V255-I293 HydrophobicContact CG2-CD1 4.24Å; V255-I293 HydrophobicContact CG2-CG1 4.46Å; A258-I293 HydrophobicContact CB-CD1 3.89Å; A258-I293 HydrophobicContact CB-CG1 4.41Å; A258-I293 HydrophobicContact CB-CG2 4.29Å; I259-I293 HydrophobicContact CD1-CG1 4.37Å; I259-I293 HydrophobicContact CG1-CB 4.32Å; I259-I293 HydrophobicContact CG1-CG1 4.17Å; I259-I293 HydrophobicContact CG1-CG2 4.04Å; V274-I293 HydrophobicContact CG1-CG2 3.82Å; L282-I293 HydrophobicContact CD1-CD1 3.85Å; L282-I293 HydrophobicContact CD2-CD1 4.49Å; Q289-I293 VanDerWaalsContact O-CG1 3.31Å; Q289-I293 WeakPolarHBondContact O-CG1 3.18Å; Q289-I293 PolarHBondContact O-N 3.24Å; Y290-I293 PolarHBondContact O-N 2.73Å; Y290-I293 VanDerWaalsContact O-N 3.16Å; I293-D295 VanDerWaalsContact C-N 3.33Å; I293-D295 PolarHBondContact O-N 3.13Å; I293-A296 PolarHBondContact O-N 2.8Å; I293-L297 HydrophobicContact CG2-CD1 3.75Å; I293-L297 HydrophobicContact CG2-CG 4.42Å; I293-L297 WeakPolarHBondContact O-CB 3.34Å; I293-L297 VanDerWaalsContact O-CG 3.27Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 2.97Å
294Y91.1Very high83.8Confident11 Ų1140 Ų404%0.04321%0.211CC..Hα-helixtrans-61.7-40.9176.4-79.9-74.3000112.5F30 F33 V34 F44 V274 Y290 I291 A298F30-Y294 HydrophobicContact CE2-CD1 4.01Å; F30-Y294 HydrophobicContact CE2-CE1 4.07Å; F30-Y294 AromaticContact CZ-CD1 3.62Å; F30-Y294 HydrophobicContact CZ-CD1 3.62Å; F30-Y294 HydrophobicContact CZ-CE1 4.13Å; F33-Y294 HydrophobicContact CD1-CE1 4.39Å; F33-Y294 AromaticContact CE1-CE1 3.79Å; F33-Y294 HydrophobicContact CE1-CE1 3.79Å; V34-Y294 HydrophobicContact CG2-CD1 3.69Å; V34-Y294 HydrophobicContact CG2-CG 4.25Å; F44-Y294 HydrophobicContact CD1-CD2 4.22Å; F44-Y294 HydrophobicContact CD1-CE2 4.05Å; F44-Y294 AromaticContact CE1-CD2 3.46Å; F44-Y294 HydrophobicContact CE1-CD2 3.46Å; F44-Y294 VanDerWaalsContact CE1-CD2 3.46Å; F44-Y294 AromaticContact CE1-CE2 3.59Å; F44-Y294 HydrophobicContact CE1-CE2 3.59Å; F44-Y294 HydrophobicContact CE1-CG 4.4Å; F44-Y294 HydrophobicContact CZ-CD2 4.38Å; V274-Y294 HydrophobicContact CB-CE1 3.85Å; V274-Y294 HydrophobicContact CB-CE2 4.3Å; V274-Y294 HydrophobicContact CG1-CD2 4.24Å; V274-Y294 HydrophobicContact CG1-CE1 4.12Å; V274-Y294 HydrophobicContact CG1-CE2 3.72Å; V274-Y294 HydrophobicContact CG2-CD1 3.96Å; V274-Y294 HydrophobicContact CG2-CE1 3.61Å; Y290-Y294 HydrophobicContact CD1-CE2 4.35Å; Y290-Y294 VanDerWaalsContact O-CD2 3.23Å; Y290-Y294 WeakPolarHBondContact O-CD2 3.4Å; Y290-Y294 PolarHBondContact O-N 3.36Å; Y290-Y294 VanDerWaalsContact O-N 3.13Å; I291-Y294 PolarHBondContact O-N 2.81Å; Y294-A298 VanDerWaalsContact O-CB 3.22Å; Y294-A298 WeakPolarHBondContact O-CB 3.32Å; Y294-A298 PolarHBondContact O-N 3.48Å
295D91.9Very high85.3Confident46 Ų4640.6 Ų40.625%0.24621%0.213CC..Hα-helixtrans-63.7-43.6177-77.3-14.7000111.9K38 I291 Y292 I293 A298 E299K38-D295 WeakPolarHBondContact CE-OD1 3.37Å; K38-D295 IonicContact NZ-OD1 3.66Å; K38-D295 PolarHBondContact NZ-OD1 3.48Å; K38-D295 IonicContact NZ-OD2 2.67Å; I291-D295 WeakPolarHBondContact O-CB 3.48Å; I291-D295 PolarHBondContact O-N 2.81Å; Y292-D295 PolarHBondContact O-N 2.94Å; I293-D295 VanDerWaalsContact C-N 3.33Å; I293-D295 PolarHBondContact O-N 3.13Å; D295-A298 PolarHBondContact O-N 3.21Å; D295-E299 VanDerWaalsContact O-CB 3.31Å; D295-E299 WeakPolarHBondContact O-CB 3.1Å; D295-E299 PolarHBondContact O-N 2.85Å
296A94.8Very high87Confident1 Ų139.6 Ų39.61%0.00821%0.207CC..Hα-helixtrans-65.2-43.8179.100000112.7V219 I259 Y292 I293 A300V219-A296 HydrophobicContact CG1-CB 3.84Å; V219-A296 HydrophobicContact CG2-CB 4.31Å; I259-A296 HydrophobicContact CD1-CB 3.62Å; I259-A296 HydrophobicContact CG1-CB 4.08Å; I259-A296 HydrophobicContact CG2-CB 4.42Å; Y292-A296 WeakPolarHBondContact O-CB 3.37Å; Y292-A296 PolarHBondContact O-N 2.84Å; I293-A296 PolarHBondContact O-N 2.8Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 2.84Å
297L95.1Very high88.4Confident0 Ų036.3 Ų36.30%019%0.192CC..Hα-helixtrans-67.6-42.2177-67.9171.6000111.7F30 I259 N262 L263 I272 V274 I293 E299 A300 V301F30-L297 HydrophobicContact CD1-CB 4.43Å; F30-L297 HydrophobicContact CE1-CB 3.43Å; F30-L297 VanDerWaalsContact CE1-CB 3.43Å; F30-L297 HydrophobicContact CZ-CB 3.79Å; F30-L297 HydrophobicContact CZ-CD1 4.12Å; I259-L297 HydrophobicContact CG2-CD2 4.31Å; N262-L297 HydrophobicContact CB-CD1 3.76Å; N262-L297 HydrophobicContact CB-CD2 3.58Å; N262-L297 HydrophobicContact CB-CG 4.33Å; L263-L297 HydrophobicContact CD1-CD2 4.39Å; L263-L297 HydrophobicContact CD2-CD2 3.73Å; L263-L297 HydrophobicContact CG-CD2 3.63Å; I272-L297 HydrophobicContact CG2-CD1 3.89Å; V274-L297 HydrophobicContact CG2-CD1 3.48Å; V274-L297 VanDerWaalsContact CG2-CD1 3.48Å; I293-L297 HydrophobicContact CG2-CD1 3.75Å; I293-L297 HydrophobicContact CG2-CG 4.42Å; I293-L297 WeakPolarHBondContact O-CB 3.34Å; I293-L297 VanDerWaalsContact O-CG 3.27Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 2.97Å; L297-E299 VanDerWaalsContact C-N 3.32Å; L297-E299 PolarHBondContact O-N 2.85Å; L297-A300 PolarHBondContact O-N 2.87Å; L297-V301 WeakPolarHBondContact O-CB 3.44Å; L297-V301 WeakPolarHBondContact O-CG2 3.48Å; L297-V301 PolarHBondContact O-N 3.48Å
298A93.4Very high89.5Confident8 Ų833.5 Ų33.57%0.06618%0.179CC..Hα-helixtrans-64.1-40.4178.100000111.4F30 V34 Y294 D295 Q302F30-A298 HydrophobicContact CD1-CB 4.42Å; F30-A298 HydrophobicContact CE1-CB 4.26Å; V34-A298 HydrophobicContact CB-CB 4.19Å; V34-A298 HydrophobicContact CG1-CB 4.13Å; V34-A298 HydrophobicContact CG2-CB 4.12Å; Y294-A298 VanDerWaalsContact O-CB 3.22Å; Y294-A298 WeakPolarHBondContact O-CB 3.32Å; Y294-A298 PolarHBondContact O-N 3.48Å; D295-A298 PolarHBondContact O-N 3.21Å; A298-Q302 WeakPolarHBondContact O-CB 2.83Å; A298-Q302 PolarHBondContact O-N 3.16Å
299E93.6Very high90.2Very high21 Ų2130.9 Ų30.910%0.09817%0.167CC..Hα-helixtrans-63.2-47.1175178.8175.6139.400112.1V219 L223 D295 L297 V301 Q302 C303 L343 K574V219-E299 HydrophobicContact CG1-CB 4.06Å; V219-E299 HydrophobicContact CG1-CG 4.18Å; V219-E299 WeakPolarHBondContact CG1-OE1 3.16Å; V219-E299 WeakPolarHBondContact CG1-OE2 3.41Å; L223-E299 HydrophobicContact CD1-CB 4.48Å; L223-E299 HydrophobicContact CD1-CG 4.18Å; D295-E299 VanDerWaalsContact O-CB 3.31Å; D295-E299 WeakPolarHBondContact O-CB 3.1Å; D295-E299 PolarHBondContact O-N 2.85Å; L297-E299 VanDerWaalsContact C-N 3.32Å; L297-E299 PolarHBondContact O-N 2.85Å; E299-V301 PolarHBondContact O-N 3.1Å; E299-Q302 PolarHBondContact O-N 3.49Å; E299-C303 WeakPolarHBondContact O-CB 3.16Å; E299-C303 PolarHBondContact O-N 2.97Å; E299-L343 HydrophobicContact CB-CD2 4.32Å; E299-L343 HydrophobicContact CG-CD1 4.06Å; E299-L343 HydrophobicContact CG-CD2 4Å; E299-K574 IonicContact OE1-NZ 3.98Å; E299-K574 PolarHBondContact OE1-NZ 3.24Å; E299-K574 IonicContact OE2-NZ 2.59Å; E299-K574 PolarHBondContact OE2-NZ 3.07Å
300A93.6Very high90.6Very high23 Ų2330.7 Ų30.719%0.1917%0.166CC..Hα-helixtrans-58.9-48.717900000111.6L223 L263 A296 L297 D304L223-A300 HydrophobicContact CD1-CB 3.98Å; L223-A300 HydrophobicContact CD2-CB 4.02Å; L263-A300 HydrophobicContact CD1-CB 4.15Å; L263-A300 HydrophobicContact CD2-CB 3.57Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 2.84Å; L297-A300 PolarHBondContact O-N 2.87Å; A300-D304 PolarHBondContact O-N 3.42Å
301V92.3Very high91.1Very high22 Ų2233.1 Ų33.113%0.13318%0.181CC..Hα-helixtrans-64.4-40.11781730000112M27 V31 I272 L297 E299M27-V301 HydrophobicContact CE-CB 4.25Å; M27-V301 HydrophobicContact CE-CG1 3.94Å; M27-V301 HydrophobicContact CE-CG2 3.98Å; M27-V301 HydrophobicContact CG-CB 4.45Å; M27-V301 HydrophobicContact CG-CG1 3.66Å; M27-V301 HydrophobicContact CG-CG2 3.91Å; V31-V301 HydrophobicContact CG2-CB 4.4Å; V31-V301 HydrophobicContact CG2-CG1 4.09Å; I272-V301 HydrophobicContact CD1-CG2 3.6Å; L297-V301 WeakPolarHBondContact O-CB 3.44Å; L297-V301 WeakPolarHBondContact O-CG2 3.48Å; L297-V301 PolarHBondContact O-N 3.48Å; E299-V301 PolarHBondContact O-N 3.1Å
302Q89.5Confident91.4Very high48 Ų4836 Ų3622%0.22419%0.194CC..Hα-helixtrans-73.7-41.5-176.1-178.8178-15.900112.3V31 A298 E299 F339V31-Q302 HydrophobicContact CG2-CB 4.05Å; A298-Q302 WeakPolarHBondContact O-CB 2.83Å; A298-Q302 PolarHBondContact O-N 3.16Å; E299-Q302 PolarHBondContact O-N 3.49Å; Q302-F339 HydrophobicContact CG-CD1 4.11Å; Q302-F339 HydrophobicContact CG-CE1 3.76Å; Q302-F339 HydrophobicContact CG-CZ 4.12Å; Q302-F339 VanDerWaalsContact O-CE2 3.26Å; Q302-F339 WeakPolarHBondContact O-CE2 3.46Å; Q302-F339 VanDerWaalsContact O-CZ 3.26Å; Q302-F339 WeakPolarHBondContact O-CZ 3.38Å
303C88.1Confident91.5Very high17 Ų1735.4 Ų35.412%0.11519%0.192CC..Hα-helixtrans-76.6-54.2-177.7-76.10000111.4E299 I305 L343 F570E299-C303 WeakPolarHBondContact O-CB 3.16Å; E299-C303 PolarHBondContact O-N 2.97Å; C303-I305 HydrophobicContact CB-CD1 4.26Å; C303-I305 VanDerWaalsContact O-CG1 3.31Å; C303-I305 WeakPolarHBondContact O-CG1 3.43Å; C303-I305 PolarHBondContact O-N 2.83Å; C303-I305 VanDerWaalsContact O-N 3.1Å; C303-L343 WeakPolarHBondContact SG-CD1 3.27Å; C303-F570 HydrophobicContact CB-CE1 4.28Å; C303-F570 WeakPolarHBondContact SG-CE1 3.46Å; C303-F570 VanDerWaalsContact SG-CZ 3.52Å
304D85Confident91.4Very high118 Ų11841 Ų4163%0.63121%0.214SC*.  trans4342.7-174.7-16529.8000113.3A300A300-D304 PolarHBondContact O-N 3.42Å
305I85.8Confident91.3Very high40 Ų4045.8 Ų45.821%0.20524%0.236CC..  trans-107.2117.5-179.3-68.8150.5000108.5C303 E336 F570C303-I305 HydrophobicContact CB-CD1 4.26Å; C303-I305 VanDerWaalsContact O-CG1 3.31Å; C303-I305 WeakPolarHBondContact O-CG1 3.43Å; C303-I305 PolarHBondContact O-N 2.83Å; C303-I305 VanDerWaalsContact O-N 3.1Å; I305-E336 HydrophobicContact CD1-CG 3.92Å; I305-F570 HydrophobicContact CD1-CB 4.06Å; I305-F570 HydrophobicContact CD1-CD1 3.83Å; I305-F570 HydrophobicContact CD1-CD2 3.78Å; I305-F570 HydrophobicContact CD1-CE1 4.2Å; I305-F570 HydrophobicContact CD1-CE2 4.14Å; I305-F570 HydrophobicContact CD1-CG 3.6Å; I305-F570 HydrophobicContact CD1-CZ 4.33Å; I305-F570 HydrophobicContact CG2-CB 3.99Å
306N88.7Confident91.2Very high111 Ų11145.1 Ų45.159%0.59423%0.23SC*.PPolyproline II helixtrans-97.9150.7175.9-68.9-53.2000111.7L308N306-L308 PolarHBondContact O-N 3.3Å
307P93Very high90.8Very high26 Ų2647 Ų4717%0.16924%0.242CC..PPolyproline II helixtrans-60.6137.8172.4-20.433.2000110.6R227 R566 V567 D568R227-P307 VanDerWaalsContact NH1-CD 3.33Å; P307-R566 HydrophobicContact CB-CB 4.13Å; P307-V567 CarbonylContact C-O 3.59Å; P307-V567 VanDerWaalsContact CA-O 3.28Å; P307-V567 WeakPolarHBondContact CA-O 3.41Å; P307-D568 HydrophobicContact CB-CB 4.17Å; P307-D568 HydrophobicContact CG-CB 4.16Å
308L93.2Very high90.3Very high23 Ų2350.4 Ų50.412%0.1227%0.265CS..EExtended strand (participates in β ladder)trans-81.5134.2176-52.7163.8000109.2N306 E312 R566 V567N306-L308 PolarHBondContact O-N 3.3Å; L308-E312 WeakPolarHBondContact CA-OE2 3.33Å; L308-E312 HydrophobicContact CB-CB 4.23Å; L308-E312 HydrophobicContact CD2-CB 4.35Å; L308-R566 CarbonylContact O-C 3.59Å; L308-R566 WeakPolarHBondContact O-CA 3.46Å; L308-V567 HydrophobicContact CB-CG2 3.98Å; L308-V567 HydrophobicContact CD1-CG2 4.38Å; L308-V567 PolarHBondContact N-O 2.87Å; L308-V567 PolarHBondContact O-N 3.09Å
309T94Very high89.9Confident43 Ų4353.1 Ų53.126%0.26428%0.278SS..EExtended strand (participates in β ladder)trans-64.9161.6163.161.80000111.2D311 E312 L313T309-D311 PolarHBondContact O-N 2.81Å; T309-E312 WeakPolarHBondContact CB-OE2 3.35Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.21Å; T309-E312 PolarHBondContact N-OE2 3.41Å; T309-E312 PolarHBondContact O-N 3.1Å; T309-E312 WeakPolarHBondContact OG1-CB 3.45Å; T309-E312 VanDerWaalsContact OG1-CG 3.26Å; T309-E312 WeakPolarHBondContact OG1-CG 3.47Å; T309-E312 PolarHBondContact OG1-N 3.3Å; T309-E312 PolarHBondContact OG1-OE2 3.21Å; T309-L313 WeakPolarHBondContact O-CB 3.49Å; T309-L313 PolarHBondContact O-N 2.9Å
310L91.8Very high89.4Confident18 Ų1855.6 Ų55.69%0.09429%0.286CS..Hα-helixtrans-61.3-31.2173.7-63.4-173.5000112.7L313 R314 I561 Q565 Y601L310-L313 HydrophobicContact CD2-CD2 4.43Å; L310-L313 PolarHBondContact O-N 3.23Å; L310-R314 WeakPolarHBondContact O-CB 3.22Å; L310-R314 PolarHBondContact O-N 2.93Å; L310-I561 HydrophobicContact CD2-CG1 4.29Å; L310-I561 HydrophobicContact CD2-CG2 4.1Å; L310-Q565 HydrophobicContact CD1-CB 4.02Å; L310-Q565 HydrophobicContact CD1-CG 4.45Å; L310-Q565 HydrophobicContact CG-CB 4.2Å; L310-Q565 WeakPolarHBondContact CG-O 3.34Å; L310-Q565 PolarHBondContact N-O 3.3Å; L310-Y601 HydrophobicContact CB-CE2 4.36Å; L310-Y601 HydrophobicContact CD1-CE2 4.36Å; L310-Y601 HydrophobicContact CD2-CD2 4.37Å; L310-Y601 HydrophobicContact CD2-CE2 4.18Å
311D91.3Very high89Confident81 Ų8159.8 Ų59.843%0.43331%0.31SS..Hα-helixtrans-67.9-43.4175.7-70.8-29.2000111.5T309 L313 R314 Q315T309-D311 PolarHBondContact O-N 2.81Å; D311-L313 VanDerWaalsContact C-N 3.34Å; D311-R314 WeakPolarHBondContact O-CB 3.45Å; D311-R314 PolarHBondContact O-N 3.16Å; D311-R314 IonicContact OD1-CZ 3.6Å; D311-R314 IonicContact OD1-NH1 3.53Å; D311-R314 PolarHBondContact OD1-NH1 3.28Å; D311-R314 IonicContact OD1-NH2 3.5Å; D311-R314 PolarHBondContact OD1-NH2 2.96Å; D311-Q315 VanDerWaalsContact O-CG 3.28Å; D311-Q315 WeakPolarHBondContact O-CG 3.42Å; D311-Q315 PolarHBondContact O-N 3.27Å
312E92.7Very high88.8Confident83 Ų8361.6 Ų61.639%0.38832%0.321SS..Hα-helixtrans-65.6-37.9173.6-71.2164.3134.600111.8L308 T309 R314 Q315 R316L308-E312 WeakPolarHBondContact CA-OE2 3.33Å; L308-E312 HydrophobicContact CB-CB 4.23Å; L308-E312 HydrophobicContact CD2-CB 4.35Å; T309-E312 WeakPolarHBondContact CB-OE2 3.35Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.21Å; T309-E312 PolarHBondContact N-OE2 3.41Å; T309-E312 PolarHBondContact O-N 3.1Å; T309-E312 WeakPolarHBondContact OG1-CB 3.45Å; T309-E312 VanDerWaalsContact OG1-CG 3.26Å; T309-E312 WeakPolarHBondContact OG1-CG 3.47Å; T309-E312 PolarHBondContact OG1-N 3.3Å; T309-E312 PolarHBondContact OG1-OE2 3.21Å; E312-R314 VanDerWaalsContact C-N 3.33Å; E312-R314 PolarHBondContact O-N 3.19Å; E312-Q315 PolarHBondContact O-N 3.35Å; E312-R316 PolarHBondContact O-N 3.24Å
313L91.5Very high88.7Confident3 Ų366.5 Ų66.52%0.01634%0.342CS..Hα-helixtrans-62.1-42173.2-17465000111.2T309 L310 D311 R316 T317 I561 V567 L597 I598 Y601T309-L313 WeakPolarHBondContact O-CB 3.49Å; T309-L313 PolarHBondContact O-N 2.9Å; L310-L313 HydrophobicContact CD2-CD2 4.43Å; L310-L313 PolarHBondContact O-N 3.23Å; D311-L313 VanDerWaalsContact C-N 3.34Å; L313-R316 WeakPolarHBondContact O-CB 3.44Å; L313-R316 PolarHBondContact O-N 2.62Å; L313-T317 PolarHBondContact O-N 2.96Å; L313-I561 HydrophobicContact CD2-CD1 4.48Å; L313-V567 HydrophobicContact CD1-CG2 4.42Å; L313-V567 HydrophobicContact CD2-CG2 4.31Å; L313-L597 HydrophobicContact CD1-CD2 4.15Å; L313-L597 HydrophobicContact CD1-CG 4.38Å; L313-L597 HydrophobicContact CD2-CG 4.41Å; L313-I598 HydrophobicContact CD1-CG1 3.9Å; L313-Y601 HydrophobicContact CD2-CD1 3.89Å; L313-Y601 HydrophobicContact CD2-CD2 4.29Å; L313-Y601 HydrophobicContact CD2-CG 3.76Å; L313-Y601 HydrophobicContact CG-CD1 4.09Å; L313-Y601 HydrophobicContact CG-CG 4.46Å
314R89.5Confident88.8Confident119 Ų11973.1 Ų73.145%0.44937%0.371SS..Hα-helixtrans-63.4-40.9173.7-172.817367.5-120.4-3.3111.7L310 D311 E312 R316 T317 Y601 M602L310-R314 WeakPolarHBondContact O-CB 3.22Å; L310-R314 PolarHBondContact O-N 2.93Å; D311-R314 WeakPolarHBondContact O-CB 3.45Å; D311-R314 PolarHBondContact O-N 3.16Å; D311-R314 IonicContact OD1-CZ 3.6Å; D311-R314 IonicContact OD1-NH1 3.53Å; D311-R314 PolarHBondContact OD1-NH1 3.28Å; D311-R314 IonicContact OD1-NH2 3.5Å; D311-R314 PolarHBondContact OD1-NH2 2.96Å; E312-R314 VanDerWaalsContact C-N 3.33Å; E312-R314 PolarHBondContact O-N 3.19Å; R314-R316 VanDerWaalsContact C-N 3.33Å; R314-T317 VanDerWaalsContact O-CB 3.27Å; R314-T317 WeakPolarHBondContact O-CB 3.28Å; R314-T317 PolarHBondContact O-N 2.88Å; R314-T317 VanDerWaalsContact O-N 3.17Å; R314-T317 PolarHBondContact O-OG1 3.33Å; R314-Y601 HydrophobicContact CB-CE1 3.97Å; R314-M602 HydrophobicContact CG-CE 4.45Å
315Q89.5Confident89Confident110 Ų11069.3 Ų69.351%0.51435%0.354SS..Hα-helixtrans-64.6-35.5174.2-70.6173.224.500111.9D311 E312 T317 S318 M319D311-Q315 VanDerWaalsContact O-CG 3.28Å; D311-Q315 WeakPolarHBondContact O-CG 3.42Å; D311-Q315 PolarHBondContact O-N 3.27Å; E312-Q315 PolarHBondContact O-N 3.35Å; Q315-T317 PolarHBondContact O-N 3.23Å; Q315-S318 PolarHBondContact O-N 3.03Å; Q315-S318 VanDerWaalsContact O-N 3.07Å; Q315-S318 PolarHBondContact O-OG 2.78Å; Q315-M319 PolarHBondContact O-N 2.76Å
316R88.9Confident89.2Confident32 Ų3273.5 Ų73.512%0.12137%0.367CS..Hα-helixtrans-59.7-32.4172.8-76.9-170175.7-171.2-2112.3E312 L313 R314 S318 M319 Y320 L329 I598E312-R316 PolarHBondContact O-N 3.24Å; L313-R316 WeakPolarHBondContact O-CB 3.44Å; L313-R316 PolarHBondContact O-N 2.62Å; R314-R316 VanDerWaalsContact C-N 3.33Å; R316-S318 VanDerWaalsContact C-N 3.33Å; R316-S318 PolarHBondContact O-N 3.21Å; R316-M319 WeakPolarHBondContact O-CB 3.42Å; R316-M319 PolarHBondContact O-N 3.05Å; R316-Y320 VanDerWaalsContact O-CD2 3.28Å; R316-Y320 WeakPolarHBondContact O-CD2 3.48Å; R316-L329 HydrophobicContact CG-CD2 4.46Å; R316-I598 HydrophobicContact CB-CD1 4.24Å
317T85.4Confident89.3Confident42 Ų4274 Ų7426%0.25837%0.366SS..Hα-helixtrans-61-41.1173.8-49.30000112L313 R314 Q315 M319 Y320 I598 M602L313-T317 PolarHBondContact O-N 2.96Å; R314-T317 VanDerWaalsContact O-CB 3.27Å; R314-T317 WeakPolarHBondContact O-CB 3.28Å; R314-T317 PolarHBondContact O-N 2.88Å; R314-T317 VanDerWaalsContact O-N 3.17Å; R314-T317 PolarHBondContact O-OG1 3.33Å; Q315-T317 PolarHBondContact O-N 3.23Å; T317-M319 PolarHBondContact O-N 3.07Å; T317-Y320 PolarHBondContact O-N 3.25Å; T317-I598 HydrophobicContact CG2-CG2 4.19Å; T317-I598 WeakPolarHBondContact OG1-CG2 3.34Å; T317-M602 HydrophobicContact CG2-CG 4.32Å; T317-M602 HydrophobicContact CG2-SD 3.91Å
318S85Confident89.3Confident70 Ų7075.2 Ų75.249%0.4938%0.378SS..Hα-helixtrans-68.9-24.7-179.575.50000112.5Q315 R316 Y320 T321Q315-S318 PolarHBondContact O-N 3.03Å; Q315-S318 VanDerWaalsContact O-N 3.07Å; Q315-S318 PolarHBondContact O-OG 2.78Å; R316-S318 VanDerWaalsContact C-N 3.33Å; R316-S318 PolarHBondContact O-N 3.21Å; S318-Y320 PolarHBondContact O-N 2.97Å; S318-T321 WeakPolarHBondContact O-CB 3.2Å; S318-T321 VanDerWaalsContact O-CG2 3.25Å; S318-T321 WeakPolarHBondContact O-CG2 3.43Å; S318-T321 PolarHBondContact O-N 3.47Å; S318-T321 PolarHBondContact O-OG1 3.49Å
319M85.4Confident89.1Confident66 Ų6674.3 Ų74.333%0.32537%0.373SS..THydrogen-bonded Turntrans-67.5-13.6175.4-64.9-171.3-154.400113.9Q315 R316 T317 T321 S325 R326 L329Q315-M319 PolarHBondContact O-N 2.76Å; R316-M319 WeakPolarHBondContact O-CB 3.42Å; R316-M319 PolarHBondContact O-N 3.05Å; T317-M319 PolarHBondContact O-N 3.07Å; M319-T321 PolarHBondContact O-N 3.17Å; M319-S325 CarbonylContact O-C 3.55Å; M319-S325 WeakPolarHBondContact O-CB 3.33Å; M319-R326 PolarHBondContact O-N 3.48Å; M319-L329 HydrophobicContact CB-CD1 3.62Å; M319-L329 HydrophobicContact CB-CG 4.11Å; M319-L329 HydrophobicContact SD-CD1 4.48Å; M319-L329 HydrophobicContact SD-CD2 3.89Å; M319-L329 HydrophobicContact SD-CG 4.09Å
320Y84Confident89Confident72 Ų7274.4 Ų74.428%0.28237%0.372SS..THydrogen-bonded Turntrans-77.1-8.7173.7-74.5-96.9000113.6R316 T317 S318 R326 L329 Y333 D595 I598R316-Y320 VanDerWaalsContact O-CD2 3.28Å; R316-Y320 WeakPolarHBondContact O-CD2 3.48Å; T317-Y320 PolarHBondContact O-N 3.25Å; S318-Y320 PolarHBondContact O-N 2.97Å; Y320-R326 HydrophobicContact CD1-CG 4.39Å; Y320-R326 WeakPolarHBondContact O-CD 3.28Å; Y320-L329 HydrophobicContact CD2-CD1 3.97Å; Y320-L329 HydrophobicContact CE2-CD1 3.56Å; Y320-Y333 PolarHBondContact OH-OH 2.57Å; Y320-D595 WeakPolarHBondContact CE1-OD1 3.26Å; Y320-D595 VanDerWaalsContact CZ-OD1 3.28Å; Y320-D595 PolarHBondContact OH-OD1 2.9Å; Y320-I598 HydrophobicContact CE2-CD1 3.66Å
321T83.9Confident89.1Confident111 Ų11176.4 Ų76.468%0.68139%0.391SS*.SBendtrans-73.6-40.3-175.758.60000113.3S318 M319S318-T321 WeakPolarHBondContact O-CB 3.2Å; S318-T321 VanDerWaalsContact O-CG2 3.25Å; S318-T321 WeakPolarHBondContact O-CG2 3.43Å; S318-T321 PolarHBondContact O-N 3.47Å; S318-T321 PolarHBondContact O-OG1 3.49Å; M319-T321 PolarHBondContact O-N 3.17Å
322T87.8Confident89.2Confident61 Ų6175.9 Ų75.937%0.37439%0.388SS..SBendtrans-102.7154-176.9830000111.9S325 R326T322-S325 VanDerWaalsContact OG1-CB 3.22Å; T322-S325 WeakPolarHBondContact OG1-CB 3.44Å; T322-S325 PolarHBondContact OG1-N 3.41Å; T322-S325 PolarHBondContact OG1-OG 3.45Å; T322-R326 WeakPolarHBondContact O-CG 3.14Å; T322-R326 PolarHBondContact O-N 3.5Å; T322-R326 PolarHBondContact O-NE 2.89Å
323K89.1Confident89.3Confident150 Ų15072 Ų7265%0.65237%0.369SS*.Hα-helixtrans-64-40.5174.7-172.9-179.7177.7-1770111.9R326 Q327K323-R326 PolarHBondContact O-N 2.8Å; K323-Q327 WeakPolarHBondContact O-CG 3.39Å; K323-Q327 PolarHBondContact O-N 2.7Å; K323-Q327 VanDerWaalsContact O-N 3.12Å
324Q90.4Very high89.5Confident157 Ų15773.1 Ų73.173%0.73438%0.377SS*.Hα-helixtrans-66.6-46.7-178.1-173.8178.710.300111.7R326 Q327 A328Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 3.45Å; Q324-Q327 WeakPolarHBondContact O-CB 3.21Å; Q324-Q327 PolarHBondContact O-N 3.42Å; Q324-Q327 VanDerWaalsContact O-N 3.14Å; Q324-A328 PolarHBondContact O-N 3.03Å
325S89.3Confident89.8Confident38 Ų3871.2 Ų71.227%0.26637%0.374SS..Hα-helixtrans-63.7-37.7178-58.80000112M319 T322 Q327 A328 L329M319-S325 CarbonylContact O-C 3.55Å; M319-S325 WeakPolarHBondContact O-CB 3.33Å; T322-S325 VanDerWaalsContact OG1-CB 3.22Å; T322-S325 WeakPolarHBondContact OG1-CB 3.44Å; T322-S325 PolarHBondContact OG1-N 3.41Å; T322-S325 PolarHBondContact OG1-OG 3.45Å; S325-Q327 VanDerWaalsContact C-N 3.35Å; S325-Q327 PolarHBondContact O-N 2.97Å; S325-A328 PolarHBondContact O-N 3.22Å; S325-L329 PolarHBondContact O-N 2.99Å
326R88.3Confident90Very high128 Ų12866.8 Ų66.848%0.48335%0.353SS..Hα-helixtrans-62.2-38.6172.3-75.4-175.5-66178.80.7113.2M319 Y320 T322 K323 Q324 D330M319-R326 PolarHBondContact O-N 3.48Å; Y320-R326 HydrophobicContact CD1-CG 4.39Å; Y320-R326 WeakPolarHBondContact O-CD 3.28Å; T322-R326 WeakPolarHBondContact O-CG 3.14Å; T322-R326 PolarHBondContact O-N 3.5Å; T322-R326 PolarHBondContact O-NE 2.89Å; K323-R326 PolarHBondContact O-N 2.8Å; Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 3.45Å; R326-D330 WeakPolarHBondContact O-CB 3.36Å; R326-D330 PolarHBondContact O-N 2.89Å
327Q91.9Very high90.4Very high121 Ų12166.8 Ų66.857%0.56535%0.353SS*.Hα-helixtrans-68.1-38.2176-73.8176-2700111.7K323 Q324 S325 D330 A331K323-Q327 WeakPolarHBondContact O-CG 3.39Å; K323-Q327 PolarHBondContact O-N 2.7Å; K323-Q327 VanDerWaalsContact O-N 3.12Å; Q324-Q327 WeakPolarHBondContact O-CB 3.21Å; Q324-Q327 PolarHBondContact O-N 3.42Å; Q324-Q327 VanDerWaalsContact O-N 3.14Å; S325-Q327 VanDerWaalsContact C-N 3.35Å; S325-Q327 PolarHBondContact O-N 2.97Å; Q327-D330 PolarHBondContact O-N 3.25Å; Q327-A331 PolarHBondContact O-N 3.27Å
328A91.4Very high90.9Very high52 Ų5270.1 Ų70.143%0.4336%0.364SS..Hα-helixtrans-63-46.1174.600000111.9Q324 S325 D330 A331 I332Q324-A328 PolarHBondContact O-N 3.03Å; S325-A328 PolarHBondContact O-N 3.22Å; A328-D330 PolarHBondContact O-N 3.49Å; A328-A331 WeakPolarHBondContact O-CB 3.42Å; A328-A331 PolarHBondContact O-N 2.9Å; A328-I332 WeakPolarHBondContact O-CG1 3.42Å; A328-I332 PolarHBondContact O-N 2.8Å
329L90.7Very high91.3Very high4 Ų468.4 Ų68.42%0.02135%0.348CS..Hα-helixtrans-60.4-43.6174-76.8177.9000112.3R316 M319 Y320 S325 A331 I332 Y333R316-L329 HydrophobicContact CG-CD2 4.46Å; M319-L329 HydrophobicContact CB-CD1 3.62Å; M319-L329 HydrophobicContact CB-CG 4.11Å; M319-L329 HydrophobicContact SD-CD1 4.48Å; M319-L329 HydrophobicContact SD-CD2 3.89Å; M319-L329 HydrophobicContact SD-CG 4.09Å; Y320-L329 HydrophobicContact CD2-CD1 3.97Å; Y320-L329 HydrophobicContact CE2-CD1 3.56Å; S325-L329 PolarHBondContact O-N 2.99Å; L329-A331 VanDerWaalsContact C-N 3.26Å; L329-A331 PolarHBondContact O-N 2.7Å; L329-I332 PolarHBondContact O-N 3.36Å; L329-Y333 HydrophobicContact CB-CE2 4.11Å; L329-Y333 VanDerWaalsContact O-CD2 3.3Å; L329-Y333 WeakPolarHBondContact O-CD2 3.5Å; L329-Y333 VanDerWaalsContact O-CG 3.26Å; L329-Y333 PolarHBondContact O-N 3.25Å
330D92Very high91.8Very high45 Ų4565.2 Ų65.224%0.24133%0.332CS..Hα-helixtrans-62.8-34.8178.3-161.375.1000111.9R326 Q327 A328 S334 R587 K591R326-D330 WeakPolarHBondContact O-CB 3.36Å; R326-D330 PolarHBondContact O-N 2.89Å; Q327-D330 PolarHBondContact O-N 3.25Å; A328-D330 PolarHBondContact O-N 3.49Å; D330-S334 VanDerWaalsContact O-CB 3.27Å; D330-S334 WeakPolarHBondContact O-CB 3.39Å; D330-S334 PolarHBondContact O-N 3.4Å; D330-S334 PolarHBondContact O-OG 2.91Å; D330-R587 IonicContact OD1-CZ 3.69Å; D330-R587 IonicContact OD1-NH1 3.93Å; D330-R587 PolarHBondContact OD1-NH1 3.36Å; D330-R587 IonicContact OD1-NH2 2.81Å; D330-R587 IonicContact OD2-CZ 3.11Å; D330-R587 IonicContact OD2-NH1 3.46Å; D330-R587 PolarHBondContact OD2-NH1 3Å; D330-R587 IonicContact OD2-NH2 2.7Å; D330-K591 IonicContact OD1-NZ 2.78Å; D330-K591 PolarHBondContact OD1-NZ 3.49Å
331A93.9Very high92.3Very high59 Ų5964.3 Ų64.349%0.48833%0.334SS..Hα-helixtrans-66.9-44.1173.600000112.2Q327 A328 L329 S334 Q335Q327-A331 PolarHBondContact O-N 3.27Å; A328-A331 WeakPolarHBondContact O-CB 3.42Å; A328-A331 PolarHBondContact O-N 2.9Å; L329-A331 VanDerWaalsContact C-N 3.26Å; L329-A331 PolarHBondContact O-N 2.7Å; A331-S334 WeakPolarHBondContact O-CB 3.35Å; A331-S334 PolarHBondContact O-N 2.59Å; A331-Q335 PolarHBondContact O-N 2.89Å
332I92.9Very high92.7Very high71 Ų7164.6 Ų64.636%0.36433%0.328SS..Hα-helixtrans-58-53.6174.9-67.7166.1000110A328 L329 S334 Q335 E336A328-I332 WeakPolarHBondContact O-CG1 3.42Å; A328-I332 PolarHBondContact O-N 2.8Å; L329-I332 PolarHBondContact O-N 3.36Å; I332-S334 PolarHBondContact O-N 3.02Å; I332-Q335 PolarHBondContact O-N 3Å; I332-E336 HydrophobicContact CG2-CG 4.31Å; I332-E336 WeakPolarHBondContact CG2-OE1 3.29Å; I332-E336 WeakPolarHBondContact O-CG 3.46Å; I332-E336 PolarHBondContact O-N 3.05Å
333Y94.5Very high93Very high1 Ų163.6 Ų63.60%0.00432%0.32CS..Hα-helixtrans-61.4-34.2179.4-59.1-29.2000112.8Y320 L329 Y337 Y590 K591 N594Y320-Y333 PolarHBondContact OH-OH 2.57Å; L329-Y333 HydrophobicContact CB-CE2 4.11Å; L329-Y333 VanDerWaalsContact O-CD2 3.3Å; L329-Y333 WeakPolarHBondContact O-CD2 3.5Å; L329-Y333 VanDerWaalsContact O-CG 3.26Å; L329-Y333 PolarHBondContact O-N 3.25Å; Y333-Y337 WeakPolarHBondContact O-CB 3.25Å; Y333-Y337 PolarHBondContact O-N 2.99Å; Y333-Y590 HydrophobicContact CD1-CE1 4.42Å; Y333-K591 HydrophobicContact CD2-CB 4.32Å; Y333-K591 HydrophobicContact CD2-CG 3.94Å; Y333-K591 HydrophobicContact CE2-CG 4.36Å; Y333-N594 HydrophobicContact CE1-CB 3.89Å; Y333-N594 VanDerWaalsContact CE1-OD1 3.31Å; Y333-N594 WeakPolarHBondContact CE1-OD1 3.27Å; Y333-N594 HydrophobicContact CE2-CB 4.18Å
334S95.4Very high93.2Very high26 Ų2656.8 Ų56.818%0.18229%0.291CS..Hα-helixtrans-66.6-39.1175.3-60.50000112.2D330 A331 I332 K338 R587D330-S334 VanDerWaalsContact O-CB 3.27Å; D330-S334 WeakPolarHBondContact O-CB 3.39Å; D330-S334 PolarHBondContact O-N 3.4Å; D330-S334 PolarHBondContact O-OG 2.91Å; A331-S334 WeakPolarHBondContact O-CB 3.35Å; A331-S334 PolarHBondContact O-N 2.59Å; I332-S334 PolarHBondContact O-N 3.02Å; S334-K338 WeakPolarHBondContact O-CG 3.28Å; S334-K338 PolarHBondContact O-N 3.41Å; S334-R587 WeakPolarHBondContact OG-CD 3.25Å; S334-R587 PolarHBondContact OG-NH1 3.24Å
335Q95.2Very high93.3Very high80 Ų8053.3 Ų53.337%0.37428%0.282SS..Hα-helixtrans-72.5-47178.9-172.759.225.900111.6A331 I332 Y337 K338 F339A331-Q335 PolarHBondContact O-N 2.89Å; I332-Q335 PolarHBondContact O-N 3Å; Q335-Y337 VanDerWaalsContact C-N 3.3Å; Q335-Y337 PolarHBondContact O-N 3.23Å; Q335-K338 WeakPolarHBondContact O-CB 3.33Å; Q335-K338 PolarHBondContact O-N 3.25Å; Q335-K338 VanDerWaalsContact O-N 3.12Å; Q335-F339 HydrophobicContact CG-CD2 4.47Å; Q335-F339 HydrophobicContact CG-CE2 3.97Å; Q335-F339 HydrophobicContact CG-CZ 4.17Å; Q335-F339 PolarHBondContact O-N 3.25Å; Q335-F339 VanDerWaalsContact O-N 3.07Å
336E95.5Very high93.5Very high16 Ų1655.3 Ų55.38%0.07530%0.301CS..Hα-helixtrans-56.3-44.9173.9-70.5178.6179.700110.8I305 I332 K338 F339 L340 F570 Y590I305-E336 HydrophobicContact CD1-CG 3.92Å; I332-E336 HydrophobicContact CG2-CG 4.31Å; I332-E336 WeakPolarHBondContact CG2-OE1 3.29Å; I332-E336 WeakPolarHBondContact O-CG 3.46Å; I332-E336 PolarHBondContact O-N 3.05Å; E336-K338 VanDerWaalsContact C-N 3.33Å; E336-K338 PolarHBondContact O-N 3.42Å; E336-F339 PolarHBondContact O-N 3.11Å; E336-L340 WeakPolarHBondContact O-CB 3.48Å; E336-L340 PolarHBondContact O-N 3.2Å; E336-F570 HydrophobicContact CB-CD2 4.14Å; E336-F570 WeakPolarHBondContact O-CE2 3.29Å; E336-Y590 HydrophobicContact CB-CE1 3.77Å; E336-Y590 WeakPolarHBondContact OE2-CE1 3.03Å; E336-Y590 VanDerWaalsContact OE2-CZ 3.3Å; E336-Y590 PolarHBondContact OE2-OH 3.3Å
337Y96.2Very high93.7Very high33 Ų3351.8 Ų51.813%0.12929%0.291CS..Hα-helixtrans-62.6-37.2177.3-176.4-102.4000113Y333 Q335 L340 T341 F584 D585 H586 R587 Y590Y333-Y337 WeakPolarHBondContact O-CB 3.25Å; Y333-Y337 PolarHBondContact O-N 2.99Å; Q335-Y337 VanDerWaalsContact C-N 3.3Å; Q335-Y337 PolarHBondContact O-N 3.23Å; Y337-L340 HydrophobicContact CD2-CD2 4.32Å; Y337-L340 WeakPolarHBondContact O-CB 3.45Å; Y337-L340 PolarHBondContact O-N 3.17Å; Y337-T341 HydrophobicContact CD1-CG2 4.29Å; Y337-T341 HydrophobicContact CE1-CG2 3.78Å; Y337-T341 HydrophobicContact CE2-CG2 4.3Å; Y337-T341 WeakPolarHBondContact O-CG2 3.3Å; Y337-T341 PolarHBondContact O-N 2.93Å; Y337-T341 PolarHBondContact O-OG1 2.8Å; Y337-F584 HydrophobicContact CE2-CB 4.35Å; Y337-F584 PolarHBondContact OH-O 2.84Å; Y337-D585 PolarHBondContact OH-O 2.8Å; Y337-H586 WeakPolarHBondContact OH-CA 3.28Å; Y337-H586 PolarHBondContact OH-N 2.85Å; Y337-R587 HydrophobicContact CD1-CB 3.76Å; Y337-R587 HydrophobicContact CD1-CG 4.14Å; Y337-R587 HydrophobicContact CE1-CB 4.04Å; Y337-R587 HydrophobicContact CG-CB 4.09Å; Y337-R587 HydrophobicContact CG-CG 4.18Å; Y337-Y590 HydrophobicContact CD2-CG 4.2Å
338K95.6Very high93.7Very high112 Ų11254.9 Ų54.949%0.48730%0.298SS..Hα-helixtrans-61.6-47.8173.5-73.7171.3-174.4174.80111.1S334 Q335 E336 L340 T341 Q342S334-K338 WeakPolarHBondContact O-CG 3.28Å; S334-K338 PolarHBondContact O-N 3.41Å; Q335-K338 WeakPolarHBondContact O-CB 3.33Å; Q335-K338 PolarHBondContact O-N 3.25Å; Q335-K338 VanDerWaalsContact O-N 3.12Å; E336-K338 VanDerWaalsContact C-N 3.33Å; E336-K338 PolarHBondContact O-N 3.42Å; K338-L340 VanDerWaalsContact C-N 3.3Å; K338-L340 PolarHBondContact O-N 2.83Å; K338-T341 PolarHBondContact O-N 2.82Å; K338-T341 PolarHBondContact O-OG1 2.82Å; K338-Q342 WeakPolarHBondContact O-CG 3.49Å; K338-Q342 PolarHBondContact O-N 3.35Å
339F94.7Very high93.7Very high33 Ų3358.3 Ų58.315%0.14531%0.308CS..Hα-helixtrans-60.7-41.6176.1-65.5-28.4000112Q302 Q335 E336 T341 Q342 L343 F570Q302-F339 HydrophobicContact CG-CD1 4.11Å; Q302-F339 HydrophobicContact CG-CE1 3.76Å; Q302-F339 HydrophobicContact CG-CZ 4.12Å; Q302-F339 VanDerWaalsContact O-CE2 3.26Å; Q302-F339 WeakPolarHBondContact O-CE2 3.46Å; Q302-F339 VanDerWaalsContact O-CZ 3.26Å; Q302-F339 WeakPolarHBondContact O-CZ 3.38Å; Q335-F339 HydrophobicContact CG-CD2 4.47Å; Q335-F339 HydrophobicContact CG-CE2 3.97Å; Q335-F339 HydrophobicContact CG-CZ 4.17Å; Q335-F339 PolarHBondContact O-N 3.25Å; Q335-F339 VanDerWaalsContact O-N 3.07Å; E336-F339 PolarHBondContact O-N 3.11Å; F339-T341 VanDerWaalsContact C-N 3.33Å; F339-T341 PolarHBondContact O-N 2.76Å; F339-Q342 PolarHBondContact O-N 3.23Å; F339-Q342 VanDerWaalsContact O-N 3.17Å; F339-L343 WeakPolarHBondContact O-CB 3.08Å; F339-L343 WeakPolarHBondContact O-CG 3.47Å; F339-L343 PolarHBondContact O-N 2.68Å; F339-F570 HydrophobicContact CB-CE2 3.91Å; F339-F570 HydrophobicContact CB-CZ 3.99Å
340L95Very high93.9Very high0 Ų061 Ų610%034%0.336CS..Hα-helixtrans-56.9-47.2176.3-176.564.2000111E336 Y337 K338 Q342 L343 T344 F570 A573 K574 F584 Y590E336-L340 WeakPolarHBondContact O-CB 3.48Å; E336-L340 PolarHBondContact O-N 3.2Å; Y337-L340 HydrophobicContact CD2-CD2 4.32Å; Y337-L340 WeakPolarHBondContact O-CB 3.45Å; Y337-L340 PolarHBondContact O-N 3.17Å; K338-L340 VanDerWaalsContact C-N 3.3Å; K338-L340 PolarHBondContact O-N 2.83Å; L340-Q342 PolarHBondContact O-N 3.4Å; L340-L343 PolarHBondContact O-N 2.93Å; L340-T344 PolarHBondContact O-N 2.93Å; L340-T344 PolarHBondContact O-OG1 3.45Å; L340-F570 HydrophobicContact CB-CE2 3.94Å; L340-A573 HydrophobicContact CD1-CB 4.29Å; L340-A573 HydrophobicContact CD2-CB 3.87Å; L340-K574 VanDerWaalsContact CD1-CA 3.47Å; L340-K574 HydrophobicContact CD1-CB 3.77Å; L340-K574 HydrophobicContact CD1-CG 4.42Å; L340-F584 HydrophobicContact CD2-CB 4.43Å; L340-Y590 HydrophobicContact CD2-CD2 3.95Å; L340-Y590 HydrophobicContact CD2-CE2 4.22Å
341T94.9Very high94Very high53 Ų5361.9 Ų61.933%0.32534%0.341SS..Hα-helixtrans-65.1-35.8177.858.40000113.6Y337 K338 F339Y337-T341 HydrophobicContact CD1-CG2 4.29Å; Y337-T341 HydrophobicContact CE1-CG2 3.78Å; Y337-T341 HydrophobicContact CE2-CG2 4.3Å; Y337-T341 WeakPolarHBondContact O-CG2 3.3Å; Y337-T341 PolarHBondContact O-N 2.93Å; Y337-T341 PolarHBondContact O-OG1 2.8Å; K338-T341 PolarHBondContact O-N 2.82Å; K338-T341 PolarHBondContact O-OG1 2.82Å; F339-T341 VanDerWaalsContact C-N 3.33Å; F339-T341 PolarHBondContact O-N 2.76Å
342Q92.8Very high94.1Very high117 Ų11759.4 Ų59.455%0.54732%0.319SS..Hα-helixtrans-70.6-38.6178.1-71.4173.7-4.600112.2K338 F339 L340K338-Q342 WeakPolarHBondContact O-CG 3.49Å; K338-Q342 PolarHBondContact O-N 3.35Å; F339-Q342 PolarHBondContact O-N 3.23Å; F339-Q342 VanDerWaalsContact O-N 3.17Å; L340-Q342 PolarHBondContact O-N 3.4Å
343L92.6Very high94.2Very high39 Ų3958 Ų5820%0.20432%0.319CS..Hα-helixtrans-85.5-12-177.1-66.9167.7000113.7E299 C303 F339 L340 P345 F570E299-L343 HydrophobicContact CB-CD2 4.32Å; E299-L343 HydrophobicContact CG-CD1 4.06Å; E299-L343 HydrophobicContact CG-CD2 4Å; C303-L343 WeakPolarHBondContact SG-CD1 3.27Å; F339-L343 WeakPolarHBondContact O-CB 3.08Å; F339-L343 WeakPolarHBondContact O-CG 3.47Å; F339-L343 PolarHBondContact O-N 2.68Å; L340-L343 PolarHBondContact O-N 2.93Å; L343-P345 VanDerWaalsContact C-CD 3.46Å; L343-F570 HydrophobicContact CD1-CE1 4.39Å; L343-F570 HydrophobicContact CD1-CZ 3.91Å
344T93.9Very high94.1Very high7 Ų758 Ų584%0.04332%0.319CS..SBendtrans-128.369.5175.359.30000110.1L340 K574 R577L340-T344 PolarHBondContact O-N 2.93Å; L340-T344 PolarHBondContact O-OG1 3.45Å; T344-K574 HydrophobicContact CG2-CG 3.93Å; T344-R577 HydrophobicContact CG2-CB 3.87Å; T344-R577 PolarHBondContact O-NH2 3.25Å; T344-R577 PolarHBondContact OG1-NE 3.38Å; T344-R577 PolarHBondContact OG1-NH2 2.84Å; T344-R577 VanDerWaalsContact OG1-NH2 3.13Å
345P92.6Very high94.1Very high85 Ų8556.8 Ų56.855%0.55231%0.31SS*.PPolyproline II helixtrans-66.8162-179.830.5-36.5000111.4L343 L347 P581L343-P345 VanDerWaalsContact C-CD 3.46Å; P345-L347 PolarHBondContact O-N 3.21Å; P345-P581 WeakPolarHBondContact O-CG 3.22Å
346A92.6Very high94.1Very high79 Ų7954.8 Ų54.865%0.65330%0.301SS*.PPolyproline II helixtrans-56.6138.4173.700000111.3
347L93.1Very high94Very high55 Ų5559.9 Ų59.929%0.28832%0.319SS..PPolyproline II helixtrans-67.6146.6177.5-60.7174.3000110.5P345 P372 P581P345-L347 PolarHBondContact O-N 3.21Å; L347-P372 HydrophobicContact CD1-CB 3.99Å; L347-P372 HydrophobicContact CD1-CG 3.79Å; L347-P581 HydrophobicContact CG-CG 4.15Å
348R93.2Very high93.8Very high186 Ų18665 Ų6570%0.70235%0.348SS*.PPolyproline II helixtrans-77.8152.1177.6-64.4173.7-86.3-165.6-10.9109.5G350 D351 C352R348-G350 PolarHBondContact O-N 3.46Å; R348-G350 VanDerWaalsContact O-N 3.09Å; R348-D351 VanDerWaalsContact CB-OD2 3.31Å; R348-D351 WeakPolarHBondContact CB-OD2 3.14Å; R348-D351 PolarHBondContact N-OD2 3.14Å; R348-D351 IonicContact NE-OD2 3.21Å; R348-D351 WeakPolarHBondContact O-CA 3.45Å; R348-D351 WeakPolarHBondContact O-CB 3.36Å; R348-D351 PolarHBondContact O-N 2.93Å; R348-C352 PolarHBondContact O-N 2.83Å
349I91.5Very high93.6Very high124 Ų12463.1 Ų63.164%0.63634%0.341SS*.THydrogen-bonded Turntrans-53.3-35.2174.2-65171000111.4D351 C352 A353I349-D351 VanDerWaalsContact C-N 3.33Å; I349-D351 PolarHBondContact O-N 2.87Å; I349-C352 CarbonylContact O-C 3.57Å; I349-C352 PolarHBondContact O-N 3.03Å; I349-A353 WeakPolarHBondContact O-CA 3.45Å; I349-A353 PolarHBondContact O-N 2.89Å; I349-A353 VanDerWaalsContact O-N 3.1Å
350G93.4Very high93.6Very high59 Ų5961.6 Ų61.661%0.60833%0.334SS*.THydrogen-bonded Turntrans-65.8-31.317600000114.2R348 C352R348-G350 PolarHBondContact O-N 3.46Å; R348-G350 VanDerWaalsContact O-N 3.09Å; G350-C352 VanDerWaalsContact C-N 3.28Å
351D93.7Very high93.5Very high65 Ų6568.2 Ų68.235%0.34836%0.359SS..THydrogen-bonded Turntrans-73.4-25.3175.7-54.2-41.2000110.9R348 I349 P372 D373R348-D351 VanDerWaalsContact CB-OD2 3.31Å; R348-D351 WeakPolarHBondContact CB-OD2 3.14Å; R348-D351 PolarHBondContact N-OD2 3.14Å; R348-D351 IonicContact NE-OD2 3.21Å; R348-D351 WeakPolarHBondContact O-CA 3.45Å; R348-D351 WeakPolarHBondContact O-CB 3.36Å; R348-D351 PolarHBondContact O-N 2.93Å; I349-D351 VanDerWaalsContact C-N 3.33Å; I349-D351 PolarHBondContact O-N 2.87Å; D351-P372 CarbonylContact O-C 3.59Å; D351-P372 WeakPolarHBondContact O-CA 3.15Å; D351-D373 PolarHBondContact O-N 3.17Å
352C96.2Very high93.4Very high6 Ų667.7 Ų67.74%0.04136%0.364CS..THydrogen-bonded Turntrans-11123.7-176.6-59.50000113.2R348 I349 G350 G354 G355 H356 V370R348-C352 PolarHBondContact O-N 2.83Å; I349-C352 CarbonylContact O-C 3.57Å; I349-C352 PolarHBondContact O-N 3.03Å; G350-C352 VanDerWaalsContact C-N 3.28Å; C352-G354 VanDerWaalsContact C-N 3.31Å; C352-G354 PolarHBondContact O-N 3.16Å; C352-G355 PolarHBondContact O-N 3.15Å; C352-H356 PolarHBondContact O-CD2 3.04Å; C352-H356 VanDerWaalsContact O-CD2 3.3Å; C352-H356 PolarHBondContact O-N 3.5Å; C352-V370 HydrophobicContact CB-CB 4.24Å; C352-V370 HydrophobicContact CB-CG1 4Å; C352-V370 PolarHBondContact SG-O 3.27Å
353A95.5Very high93.5Very high43 Ų4363.3 Ų63.336%0.35534%0.344SS..Hα-helixtrans-57.9-40.8-168.200000112.9I349 G355 H356 R357 D373I349-A353 WeakPolarHBondContact O-CA 3.45Å; I349-A353 PolarHBondContact O-N 2.89Å; I349-A353 VanDerWaalsContact O-N 3.1Å; A353-G355 VanDerWaalsContact C-N 3.32Å; A353-G355 PolarHBondContact O-N 2.9Å; A353-H356 PolarHBondContact O-N 2.89Å; A353-H356 VanDerWaalsContact O-N 3.14Å; A353-R357 PolarHBondContact O-N 3.19Å; A353-D373 PolarHBondContact N-OD2 2.99Å
354G92.8Very high93.6Very high0 Ų061.8 Ų61.80%034%0.336CS..Hα-helixtrans-56.6-40.6179.400000113.8C352 R357 N360 D373C352-G354 VanDerWaalsContact C-N 3.31Å; C352-G354 PolarHBondContact O-N 3.16Å; G354-R357 WeakPolarHBondContact O-CB 3.23Å; G354-R357 WeakPolarHBondContact O-CG 3.42Å; G354-N360 PolarHBondContact O-ND2 3.12Å; G354-D373 VanDerWaalsContact CA-OD1 3.23Å; G354-D373 WeakPolarHBondContact CA-OD1 3.49Å; G354-D373 PolarHBondContact N-OD1 2.85Å; G354-D373 VanDerWaalsContact N-OD1 3.16Å; G354-D373 PolarHBondContact N-OD2 2.79Å
355G94.6Very high93.7Very high0 Ų064.7 Ų64.70%035%0.346CS..Hα-helixtrans-80.4-17178.800000115.1C352 A353 N364 V370 Y391C352-G355 PolarHBondContact O-N 3.15Å; A353-G355 VanDerWaalsContact C-N 3.32Å; A353-G355 PolarHBondContact O-N 2.9Å; G355-N364 PolarHBondContact O-ND2 3.21Å; G355-V370 VanDerWaalsContact CA-CG1 3.46Å; G355-Y391 VanDerWaalsContact CA-CZ 3.46Å; G355-Y391 WeakPolarHBondContact CA-OH 3.46Å
356H94.8Very high93.8Very high39 Ų3964 Ų6418%0.18134%0.338CS..Hα-helixtrans-87.6-5.2173.6-74-68.2000114.4C352 A353 R361 V367C352-H356 PolarHBondContact O-CD2 3.04Å; C352-H356 VanDerWaalsContact O-CD2 3.3Å; C352-H356 PolarHBondContact O-N 3.5Å; A353-H356 PolarHBondContact O-N 2.89Å; A353-H356 VanDerWaalsContact O-N 3.14Å; H356-R361 PolarHBondContact O-NE 3.37Å; H356-V367 PolarHBondContact CE1-O 2.91Å
357R94Very high93.8Very high122 Ų12264.2 Ų64.246%0.4633%0.331SS..SBendtrans-56.6142.9172-67.5-179.3177168.2-2.9110.9A353 G354 E359 N360 R361 D388A353-R357 PolarHBondContact O-N 3.19Å; G354-R357 WeakPolarHBondContact O-CB 3.23Å; G354-R357 WeakPolarHBondContact O-CG 3.42Å; R357-E359 HydrophobicContact CB-CG 4.33Å; R357-E359 PolarHBondContact O-N 3Å; R357-N360 HydrophobicContact CB-CB 4.45Å; R357-N360 PolarHBondContact O-N 3.27Å; R357-R361 WeakPolarHBondContact O-CG 3.28Å; R357-R361 PolarHBondContact O-N 3.38Å; R357-D388 IonicContact NH1-OD2 3.79Å
358L92.1Very high93.8Very high141 Ų14168.4 Ų68.474%0.73835%0.351SS*.Hα-helixtrans-52.4-42.7-174.7-79.8152.5000112.2N360L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.01Å
359E91.7Very high93.9Very high73 Ų7360 Ų6034%0.34132%0.32SS..Hα-helixtrans-69.3-20.7177.958.9-91.3-153.200114.8R357 K387 D388R357-E359 HydrophobicContact CB-CG 4.33Å; R357-E359 PolarHBondContact O-N 3Å; E359-K387 HydrophobicContact CB-CB 4.26Å; E359-K387 HydrophobicContact CG-CB 4.09Å; E359-D388 HydrophobicContact CG-CB 4.03Å
360N94.3Very high94.1Very high0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-103.1-21.1-177.6-70.1-26.6000113.3G354 R357 L358 G362 K363 D388 Y391G354-N360 PolarHBondContact O-ND2 3.12Å; R357-N360 HydrophobicContact CB-CB 4.45Å; R357-N360 PolarHBondContact O-N 3.27Å; L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.01Å; N360-G362 PolarHBondContact O-N 3.23Å; N360-G362 VanDerWaalsContact O-N 3.16Å; N360-K363 WeakPolarHBondContact O-CA 3.5Å; N360-K363 VanDerWaalsContact O-CB 3.3Å; N360-K363 WeakPolarHBondContact O-CB 3Å; N360-K363 PolarHBondContact O-N 3.14Å; N360-K363 PolarHBondContact OD1-NZ 3.42Å; N360-D388 PolarHBondContact ND2-OD2 3.46Å; N360-Y391 HydrophobicContact CB-CD1 3.74Å; N360-Y391 HydrophobicContact CB-CD2 4.4Å; N360-Y391 HydrophobicContact CB-CE1 3.94Å; N360-Y391 HydrophobicContact CB-CG 3.97Å; N360-Y391 VanDerWaalsContact CG-CG 3.45Å; N360-Y391 WeakPolarHBondContact OD1-CB 3.34Å
361R93Very high94.2Very high139 Ų13951.9 Ų51.953%0.52526%0.264SS..Hα-helixtrans-51-42.7178.8-76.1177.7-171.8-170.4-1.1113.1H356 R357 K363 N364H356-R361 PolarHBondContact O-NE 3.37Å; R357-R361 WeakPolarHBondContact O-CG 3.28Å; R357-R361 PolarHBondContact O-N 3.38Å; R361-K363 PolarHBondContact O-N 3.49Å; R361-N364 PolarHBondContact O-N 2.98Å
362G93.3Very high94.4Very high42 Ų4249.3 Ų49.343%0.43325%0.251SS..THydrogen-bonded Turntrans-69.4-13.5179.600000114.6N360 K413 H415N360-G362 PolarHBondContact O-N 3.23Å; N360-G362 VanDerWaalsContact O-N 3.16Å; G362-K413 PolarHBondContact O-NZ 2.64Å; G362-H415 PolarHBondContact O-CE1 3.11Å; G362-H415 PolarHBondContact O-NE2 3.36Å
363K94.5Very high94.3Very high26 Ų2650.5 Ų50.511%0.11326%0.257CS..THydrogen-bonded Turntrans-86.5-17.3178.6-60.1173.9-176.1163.30112.7N360 R361 S386 D388 Y391 E410 T416N360-K363 WeakPolarHBondContact O-CA 3.5Å; N360-K363 VanDerWaalsContact O-CB 3.3Å; N360-K363 WeakPolarHBondContact O-CB 3Å; N360-K363 PolarHBondContact O-N 3.14Å; N360-K363 PolarHBondContact OD1-NZ 3.42Å; R361-K363 PolarHBondContact O-N 3.49Å; K363-S386 PolarHBondContact NZ-OG 3.33Å; K363-D388 PolarHBondContact NZ-O 3.5Å; K363-Y391 HydrophobicContact CB-CD1 4.12Å; K363-Y391 HydrophobicContact CB-CE1 4.03Å; K363-Y391 HydrophobicContact CD-CD1 3.73Å; K363-Y391 HydrophobicContact CD-CE1 4.47Å; K363-E410 VanDerWaalsContact O-OE1 3.13Å; K363-T416 HydrophobicContact CB-CG2 4.05Å; K363-T416 HydrophobicContact CG-CG2 4.08Å
364N95.8Very high94.1Very high7 Ų756.2 Ų56.24%0.03728%0.281CS..  trans-85.8148.1176.7-51.8-32.7000110.5G355 R361 Y391 E410 K413G355-N364 PolarHBondContact O-ND2 3.21Å; R361-N364 PolarHBondContact O-N 2.98Å; N364-Y391 VanDerWaalsContact OD1-CE1 3.28Å; N364-Y391 WeakPolarHBondContact OD1-CE1 3.3Å; N364-Y391 PolarHBondContact OD1-OH 2.97Å; N364-E410 VanDerWaalsContact CA-OE1 3.32Å; N364-E410 WeakPolarHBondContact CA-OE1 3.44Å; N364-K413 PolarHBondContact O-NZ 3.35Å
365R95.1Very high94.2Very high67 Ų6756.9 Ų56.925%0.25329%0.286SS..SBendtrans-83.1-35.2166.3-66.1-176.9172-92.5-3.6112.8E410 W411 P412 K413 V443 H542R365-E410 WeakPolarHBondContact CB-OE2 3.23Å; R365-E410 HydrophobicContact CG-CG 4.32Å; R365-E410 WeakPolarHBondContact CG-OE2 3.41Å; R365-E410 PolarHBondContact N-OE1 3.09Å; R365-E410 VanDerWaalsContact N-OE1 3.07Å; R365-E410 PolarHBondContact N-OE2 3.16Å; R365-W411 PolarHBondContact NE-O 2.87Å; R365-W411 PolarHBondContact NH2-O 3.42Å; R365-P412 PolarHBondContact NH2-O 3.2Å; R365-P412 VanDerWaalsContact NH2-O 3.14Å; R365-K413 HydrophobicContact CG-CD 4.17Å; R365-K413 HydrophobicContact CG-CG 4.07Å; R365-V443 PolarHBondContact NH1-O 3.29Å; R365-V443 PolarHBondContact NH2-O 2.8Å; R365-H542 WeakPolarHBondContact CD-O 3.49Å; R365-H542 PolarHBondContact NE-O 3.15Å
366D94.6Very high94.2Very high71 Ų7157.6 Ų57.638%0.3829%0.289SS..  trans-127.3127.7177.8-172-15.1000109.8M368 V369D366-M368 PolarHBondContact O-N 3Å; D366-M368 WeakPolarHBondContact OD1-CB 3.5Å; D366-M368 PolarHBondContact OD1-N 2.93Å; D366-V369 HydrophobicContact CB-CB 4.08Å; D366-V369 HydrophobicContact CB-CG2 4Å; D366-V369 PolarHBondContact O-N 3.42Å
367V92.9Very high94.3Very high84 Ų8455.8 Ų55.851%0.50928%0.281SS..THydrogen-bonded Turntrans-68.6-21.8178.7690000112.5H356 V370H356-V367 PolarHBondContact CE1-O 2.91Å; V367-V370 WeakPolarHBondContact O-CG2 3.26Å
368M92.5Very high94.4Very high143 Ų14354.8 Ų54.870%0.70428%0.278SS*.THydrogen-bonded Turntrans-88-8177.7-58.2-54.6-66.100112.8D366 Q582D366-M368 PolarHBondContact O-N 3Å; D366-M368 WeakPolarHBondContact OD1-CB 3.5Å; D366-M368 PolarHBondContact OD1-N 2.93Å; M368-Q582 PolarHBondContact O-NE2 2.91Å
369V94.7Very high94.5Very high9 Ų948.1 Ų48.16%0.05524%0.243CC..  trans-121.982.6-178.1-170.30000109.4D366 N393 V545 Q582D366-V369 HydrophobicContact CB-CB 4.08Å; D366-V369 HydrophobicContact CB-CG2 4Å; D366-V369 PolarHBondContact O-N 3.42Å; V369-N393 PolarHBondContact O-ND2 2.9Å; V369-V545 HydrophobicContact CB-CG1 4.47Å; V369-V545 HydrophobicContact CG1-CG1 3.39Å; V369-V545 HydrophobicContact CG2-CG1 4.29Å; V369-Q582 HydrophobicContact CG2-CG 4.25Å
370V96Very high94.5Very high13 Ų1349.6 Ų49.68%0.07925%0.253CS..  trans-125.1138.7-175.5-1790000108.5C352 G355 V367C352-V370 HydrophobicContact CB-CB 4.24Å; C352-V370 HydrophobicContact CB-CG1 4Å; C352-V370 PolarHBondContact SG-O 3.27Å; G355-V370 VanDerWaalsContact CA-CG1 3.46Å; V367-V370 WeakPolarHBondContact O-CG2 3.26Å
371P96.8Very high94.2Very high0 Ų050.2 Ų50.20%026%0.257CS..  trans-73.5148.2-177.432.3-34.8000111.1R376 Y391 N393 A394 V395P371-R376 HydrophobicContact CB-CB 4.02Å; P371-R376 HydrophobicContact CG-CB 4.06Å; P371-Y391 WeakPolarHBondContact CD-OH 3.45Å; P371-Y391 HydrophobicContact CG-CE2 4.23Å; P371-N393 WeakPolarHBondContact CD-OD1 3.16Å; P371-A394 WeakPolarHBondContact CB-O 3.31Å; P371-V395 HydrophobicContact CB-CB 4.2Å; P371-V395 HydrophobicContact CB-CG2 4.48Å
372P96.3Very high93.7Very high10 Ų1044.8 Ų44.87%0.06524%0.238CC..  trans-68.4146.1169.727.4-31.5000110.9L347 D351 N374 S375 R376 V395 N579L347-P372 HydrophobicContact CD1-CB 3.99Å; L347-P372 HydrophobicContact CD1-CG 3.79Å; D351-P372 CarbonylContact O-C 3.59Å; D351-P372 WeakPolarHBondContact O-CA 3.15Å; P372-N374 PolarHBondContact O-N 3.32Å; P372-S375 PolarHBondContact O-N 2.85Å; P372-S375 VanDerWaalsContact O-N 3.15Å; P372-R376 PolarHBondContact O-N 3.5Å; P372-R376 VanDerWaalsContact O-N 3.16Å; P372-V395 HydrophobicContact CG-CG2 4.47Å; P372-N579 WeakPolarHBondContact CD-O 3.37Å; P372-N579 HydrophobicContact CG-CB 4.14Å; P372-N579 WeakPolarHBondContact CG-O 3.37Å
373D94.5Very high93Very high31 Ų3149.2 Ų49.217%0.16625%0.247CC..THydrogen-bonded Turntrans-63.3-30.1-174.5-78.8-37.9000113.4D351 A353 G354 S375 R376 Y378D351-D373 PolarHBondContact O-N 3.17Å; A353-D373 PolarHBondContact N-OD2 2.99Å; G354-D373 VanDerWaalsContact CA-OD1 3.23Å; G354-D373 WeakPolarHBondContact CA-OD1 3.49Å; G354-D373 PolarHBondContact N-OD1 2.85Å; G354-D373 VanDerWaalsContact N-OD1 3.16Å; G354-D373 PolarHBondContact N-OD2 2.79Å; D373-S375 VanDerWaalsContact C-N 3.33Å; D373-S375 PolarHBondContact O-N 3.45Å; D373-R376 IonicContact OD1-NE 2.79Å; D373-R376 PolarHBondContact OD1-NE 3.46Å; D373-Y378 PolarHBondContact O-OH 3.25Å
374N91.5Very high91.6Very high163 Ų16350.6 Ų50.687%0.87227%0.269SS*.THydrogen-bonded Turntrans-80.4-10.3-179.4-69.9-10.1000114P372P372-N374 PolarHBondContact O-N 3.32Å
375S94.3Very high89.7Confident15 Ų1559.9 Ų59.911%0.10531%0.312CS..THydrogen-bonded Turntrans-129.69.2-176.8-41.90000113.2P372 D373 Y396 N579P372-S375 PolarHBondContact O-N 2.85Å; P372-S375 VanDerWaalsContact O-N 3.15Å; D373-S375 VanDerWaalsContact C-N 3.33Å; D373-S375 PolarHBondContact O-N 3.45Å; S375-Y396 WeakPolarHBondContact O-CD2 3.45Å; S375-Y396 PolarHBondContact O-N 2.86Å; S375-N579 VanDerWaalsContact OG-CG 3.24Å; S375-N579 PolarHBondContact OG-ND2 3.28Å; S375-N579 PolarHBondContact OG-OD1 2.85Å
376R95.9Very high88Confident14 Ų1459.1 Ų59.15%0.05332%0.317CS..SBendtrans-84.3143.1173.372.6-176.7-179.394.1-5111.4P371 P372 D373 Y378P371-R376 HydrophobicContact CB-CB 4.02Å; P371-R376 HydrophobicContact CG-CB 4.06Å; P372-R376 PolarHBondContact O-N 3.5Å; P372-R376 VanDerWaalsContact O-N 3.16Å; D373-R376 IonicContact OD1-NE 2.79Å; D373-R376 PolarHBondContact OD1-NE 3.46Å; R376-Y378 HydrophobicContact CG-CE2 4.08Å; R376-Y378 VanDerWaalsContact NH2-CE1 3.33Å; R376-Y378 WeakPolarHBondContact O-CD2 3.4Å
377P96.7Very high86.7Confident1 Ų164.5 Ų64.51%0.00634%0.337CS..  trans-69145.7166.227.8-29.1000110.7I392 A394 Y396 I407 L423 H427P377-I392 HydrophobicContact CG-CG2 4.14Å; P377-A394 WeakPolarHBondContact CD-O 3.31Å; P377-A394 HydrophobicContact CG-CB 3.64Å; P377-Y396 HydrophobicContact CB-CE2 3.96Å; P377-I407 HydrophobicContact CG-CG2 4.35Å; P377-L423 HydrophobicContact CB-CD1 3.6Å; P377-L423 HydrophobicContact CG-CD1 3.44Å; P377-L423 VanDerWaalsContact CG-CD1 3.44Å; P377-H427 VanDerWaalsContact CB-CE1 3.46Å; P377-H427 WeakPolarHBondContact CB-CE1 3.42Å; P377-H427 VanDerWaalsContact CB-NE2 3.32Å; P377-H427 WeakPolarHBondContact CB-NE2 3.44Å
378Y95.1Very high86.1Confident102 Ų10261 Ų6140%0.432%0.315SS..  trans-107.6123.2177.5-73.9-98.9000109.5D373 R376 H427D373-Y378 PolarHBondContact O-OH 3.25Å; R376-Y378 HydrophobicContact CG-CE2 4.08Å; R376-Y378 VanDerWaalsContact NH2-CE1 3.33Å; R376-Y378 WeakPolarHBondContact O-CD2 3.4Å; Y378-H427 PolarHBondContact O-NE2 3.31Å
379L94.9Very high85.7Confident0 Ų058.6 Ų58.60%030%0.299CS..  trans-78.8127175.9-51.3-178.3000110L382 T390 I392 A422 L423 D426L379-L382 HydrophobicContact CD1-CD1 3.89Å; L379-T390 PolarHBondContact N-O 2.85Å; L379-T390 WeakPolarHBondContact O-CA 3.49Å; L379-I392 HydrophobicContact CD1-CB 4.07Å; L379-I392 HydrophobicContact CD1-CG2 4.18Å; L379-I392 HydrophobicContact CD2-CG2 3.9Å; L379-I392 HydrophobicContact CG-CB 4.45Å; L379-I392 HydrophobicContact CG-CG2 4.01Å; L379-A422 HydrophobicContact CB-CB 4.42Å; L379-A422 HydrophobicContact CD1-CB 4.15Å; L379-A422 HydrophobicContact CD2-CB 4.08Å; L379-A422 HydrophobicContact CG-CB 4.46Å; L379-L423 HydrophobicContact CD2-CB 3.92Å; L379-L423 HydrophobicContact CD2-CD1 4.33Å; L379-D426 WeakPolarHBondContact CA-OD2 3.36Å
380N91.5Very high85.6Confident104 Ų10459.7 Ų59.756%0.55631%0.306SS*.  trans-109.1-26.2-174.8-63.9-44.7000112.7H383 D426N380-H383 PolarHBondContact O-CE1 3.24Å; N380-H383 PolarHBondContact O-NE2 3.31Å; N380-D426 PolarHBondContact N-OD2 2.78Å
381T87.4Confident85.6Confident14 Ų1459 Ų599%0.08630%0.302CS..SBendtrans-86.8-24.8-175-71.40000113.7H383 D426 P458 F459 K481T381-H383 PolarHBondContact O-N 3.22Å; T381-D426 WeakPolarHBondContact CB-OD1 3.32Å; T381-D426 PolarHBondContact N-OD1 3.26Å; T381-D426 PolarHBondContact N-OD2 3.02Å; T381-D426 PolarHBondContact OG1-OD1 2.86Å; T381-P458 HydrophobicContact CG2-CG 4.2Å; T381-F459 HydrophobicContact CG2-CE1 3.63Å; T381-F459 HydrophobicContact CG2-CE2 4.49Å; T381-F459 HydrophobicContact CG2-CZ 3.43Å; T381-F459 VanDerWaalsContact CG2-CZ 3.43Å; T381-K481 HydrophobicContact CG2-CD 3.81Å; T381-K481 HydrophobicContact CG2-CG 4.35Å
382L84.3Confident85.6Confident24 Ų2459.6 Ų59.613%0.12631%0.305CS..  trans-72.1128.6175.7-64.5-173.2000109.6L379 Y389 D418 A422 P458 F459L379-L382 HydrophobicContact CD1-CD1 3.89Å; L382-Y389 WeakPolarHBondContact O-CD2 3.4Å; L382-Y389 WeakPolarHBondContact O-CE2 3.47Å; L382-D418 HydrophobicContact CD2-CB 4.48Å; L382-A422 HydrophobicContact CD1-CB 4.09Å; L382-A422 HydrophobicContact CD2-CB 4.05Å; L382-A422 HydrophobicContact CG-CB 3.68Å; L382-P458 HydrophobicContact CD2-CG 3.91Å; L382-F459 HydrophobicContact CD2-CE2 4.31Å
383H78.1Confident85.6Confident135 Ų13559.2 Ų59.263%0.62530%0.302SS*.  trans-136.1132.8169.5-55.1-58000107N380 T381 Y389N380-H383 PolarHBondContact O-CE1 3.24Å; N380-H383 PolarHBondContact O-NE2 3.31Å; T381-H383 PolarHBondContact O-N 3.22Å; H383-Y389 AromaticContact ND1-CE2 3.9Å
384G65.6Low85.8Confident55 Ų5557.8 Ų57.857%0.56730%0.295SS*.SBendtrans173.1-171.3-17600000113.9S386G384-S386 VanDerWaalsContact C-N 3.29Å; G384-S386 PolarHBondContact O-N 2.95Å
385E55.5Low86.1Confident203 Ų20350 Ų5095%0.94925%0.253SS*.SBendtrans-70-15-170.6-62.2-176.5168.500115.2K387E385-K387 PolarHBondContact O-N 2.94Å
386S58.3Low86.2Confident51 Ų5151.1 Ų51.136%0.35726%0.255SS..SBendtrans-67.3129174.4160.90000110.4K363 G384 D388K363-S386 PolarHBondContact NZ-OG 3.33Å; G384-S386 VanDerWaalsContact C-N 3.29Å; G384-S386 PolarHBondContact O-N 2.95Å; S386-D388 PolarHBondContact O-N 3.32Å; S386-D388 VanDerWaalsContact O-N 3.11Å; S386-D388 PolarHBondContact OG-N 2.96Å; S386-D388 PolarHBondContact OG-O 2.96Å
387K68.2Low86.3Confident183 Ų18350.5 Ų50.580%0.79625%0.253SS*.THydrogen-bonded Turntrans-54.4-31.7178.4-70.4-173.2177.8-177.20114.3E359 E385E359-K387 HydrophobicContact CB-CB 4.26Å; E359-K387 HydrophobicContact CG-CB 4.09Å; E385-K387 PolarHBondContact O-N 2.94Å
388D79.8Confident86.2Confident11 Ų1150.6 Ų50.66%0.05925%0.254CS..THydrogen-bonded Turntrans-130.382.2174.7-171.8-3.1000111.4R357 E359 N360 K363 S386 T390 Y391R357-D388 IonicContact NH1-OD2 3.79Å; E359-D388 HydrophobicContact CG-CB 4.03Å; N360-D388 PolarHBondContact ND2-OD2 3.46Å; K363-D388 PolarHBondContact NZ-O 3.5Å; S386-D388 PolarHBondContact O-N 3.32Å; S386-D388 VanDerWaalsContact O-N 3.11Å; S386-D388 PolarHBondContact OG-N 2.96Å; S386-D388 PolarHBondContact OG-O 2.96Å; D388-T390 PolarHBondContact O-N 3.43Å; D388-T390 PolarHBondContact OD1-N 3.11Å; D388-T390 VanDerWaalsContact OD1-N 3.13Å; D388-T390 PolarHBondContact OD1-OG1 3.28Å; D388-Y391 PolarHBondContact OD1-N 2.87Å
389Y84.8Confident86.2Confident92 Ų9245.8 Ų45.836%0.36124%0.235SC..THydrogen-bonded Turntrans-73.5-5.8175.651.1-98.2000113.7L382 H383L382-Y389 WeakPolarHBondContact O-CD2 3.4Å; L382-Y389 WeakPolarHBondContact O-CE2 3.47Å; H383-Y389 AromaticContact ND1-CE2 3.9Å
390T92.5Very high86.3Confident32 Ų3246.3 Ų46.320%0.19624%0.237CC..THydrogen-bonded Turntrans-86.3-11.1-177.875.20000113.3L379 D388L379-T390 PolarHBondContact N-O 2.85Å; L379-T390 WeakPolarHBondContact O-CA 3.49Å; D388-T390 PolarHBondContact O-N 3.43Å; D388-T390 PolarHBondContact OD1-N 3.11Å; D388-T390 VanDerWaalsContact OD1-N 3.13Å; D388-T390 PolarHBondContact OD1-OG1 3.28Å
391Y95.1Very high86.4Confident0 Ų045.1 Ų45.10%023%0.227CC..  trans-91.4134.5-171.1-179.2-90.6000113.8G355 N360 K363 N364 P371 D388G355-Y391 VanDerWaalsContact CA-CZ 3.46Å; G355-Y391 WeakPolarHBondContact CA-OH 3.46Å; N360-Y391 HydrophobicContact CB-CD1 3.74Å; N360-Y391 HydrophobicContact CB-CD2 4.4Å; N360-Y391 HydrophobicContact CB-CE1 3.94Å; N360-Y391 HydrophobicContact CB-CG 3.97Å; N360-Y391 VanDerWaalsContact CG-CG 3.45Å; N360-Y391 WeakPolarHBondContact OD1-CB 3.34Å; K363-Y391 HydrophobicContact CB-CD1 4.12Å; K363-Y391 HydrophobicContact CB-CE1 4.03Å; K363-Y391 HydrophobicContact CD-CD1 3.73Å; K363-Y391 HydrophobicContact CD-CE1 4.47Å; N364-Y391 VanDerWaalsContact OD1-CE1 3.28Å; N364-Y391 WeakPolarHBondContact OD1-CE1 3.3Å; N364-Y391 PolarHBondContact OD1-OH 2.97Å; P371-Y391 WeakPolarHBondContact CD-OH 3.45Å; P371-Y391 HydrophobicContact CG-CE2 4.23Å; D388-Y391 PolarHBondContact OD1-N 2.87Å
392I96.5Very high86.6Confident12 Ų1247 Ų476%0.06223%0.233CC..  trans-141.9145.5164.2-178.9163.8000108.8P377 L379 A394 L423P377-I392 HydrophobicContact CG-CG2 4.14Å; L379-I392 HydrophobicContact CD1-CB 4.07Å; L379-I392 HydrophobicContact CD1-CG2 4.18Å; L379-I392 HydrophobicContact CD2-CG2 3.9Å; L379-I392 HydrophobicContact CG-CB 4.45Å; L379-I392 HydrophobicContact CG-CG2 4.01Å; I392-A394 HydrophobicContact CG1-CB 4.4Å; I392-A394 HydrophobicContact CG2-CB 4.14Å; I392-A394 PolarHBondContact O-N 3.05Å; I392-L423 HydrophobicContact CD1-CB 4.09Å; I392-L423 HydrophobicContact CD1-CD2 4.08Å; I392-L423 HydrophobicContact CG2-CD1 4.25Å
393N97.3Very high87Confident2 Ų248.9 Ų48.91%0.01124%0.24CC..SBendtrans-75.274173.6-171-12.6000110.8V369 P371 T409 E410 R580V369-N393 PolarHBondContact O-ND2 2.9Å; P371-N393 WeakPolarHBondContact CD-OD1 3.16Å; N393-T409 PolarHBondContact O-OG1 3.14Å; N393-T409 VanDerWaalsContact O-OG1 3.13Å; N393-E410 HydrophobicContact CB-CG 4.23Å; N393-E410 VanDerWaalsContact CB-OE1 3.31Å; N393-E410 WeakPolarHBondContact CB-OE1 3.29Å; N393-E410 PolarHBondContact ND2-OE1 3.43Å; N393-E410 PolarHBondContact ND2-OE2 3.2Å; N393-R580 PolarHBondContact OD1-NH1 2.82Å; N393-R580 PolarHBondContact OD1-NH2 2.84Å
394A98.2Very high87.7Confident0 Ų045 Ų450%022%0.224CC..EExtended strand (participates in β ladder)trans-136.8156.6175.700000109.9P371 P377 I392 I407 V408 L423P371-A394 WeakPolarHBondContact CB-O 3.31Å; P377-A394 WeakPolarHBondContact CD-O 3.31Å; P377-A394 HydrophobicContact CG-CB 3.64Å; I392-A394 HydrophobicContact CG1-CB 4.4Å; I392-A394 HydrophobicContact CG2-CB 4.14Å; I392-A394 PolarHBondContact O-N 3.05Å; A394-I407 HydrophobicContact CB-CG2 3.92Å; A394-V408 CarbonylContact C-O 3.46Å; A394-V408 WeakPolarHBondContact CA-O 3.37Å; A394-L423 HydrophobicContact CB-CD2 4.26Å
395V97.6Very high89.1Confident0 Ų043.4 Ų43.40%020%0.201CC..EExtended strand (participates in β ladder)trans-137.5141.3179.372.20000110.2P371 P372 V397 I407 V408 N579 R580P371-V395 HydrophobicContact CB-CB 4.2Å; P371-V395 HydrophobicContact CB-CG2 4.48Å; P372-V395 HydrophobicContact CG-CG2 4.47Å; V395-V397 HydrophobicContact CG1-CG2 4.11Å; V395-I407 CarbonylContact O-C 3.57Å; V395-I407 WeakPolarHBondContact O-CA 3.48Å; V395-V408 HydrophobicContact CG1-CB 4.11Å; V395-V408 PolarHBondContact N-O 3.25Å; V395-V408 PolarHBondContact O-N 2.87Å; V395-N579 HydrophobicContact CG2-CB 3.38Å; V395-R580 HydrophobicContact CG1-CB 4Å
396Y97.6Very high91.1Very high39 Ų3933.8 Ų33.815%0.15316%0.156CC..EExtended strand (participates in β ladder)trans-72.6135.4166.3-72.8-70.6000110.7S375 P377 N404 W406 I407 H427 N579S375-Y396 WeakPolarHBondContact O-CD2 3.45Å; S375-Y396 PolarHBondContact O-N 2.86Å; P377-Y396 HydrophobicContact CB-CE2 3.96Å; Y396-N404 VanDerWaalsContact CB-OD1 3.25Å; Y396-N404 WeakPolarHBondContact CB-OD1 3.29Å; Y396-N404 HydrophobicContact CD1-CB 3.58Å; Y396-N404 HydrophobicContact CE1-CB 4.02Å; Y396-N404 HydrophobicContact CG-CB 3.96Å; Y396-W406 WeakPolarHBondContact CA-O 3.23Å; Y396-I407 HydrophobicContact CD1-CD1 4.28Å; Y396-I407 HydrophobicContact CD1-CG1 3.55Å; Y396-I407 HydrophobicContact CE1-CD1 3.7Å; Y396-I407 HydrophobicContact CE1-CG1 3.51Å; Y396-H427 AromaticContact CZ-ND1 3.79Å; Y396-H427 PolarHBondContact OH-CE1 3.23Å; Y396-H427 PolarHBondContact OH-ND1 3.26Å; Y396-N579 PolarHBondContact O-ND2 3.07Å
397V96.9Very high93.1Very high1 Ų131.4 Ų31.41%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-121.5133.8170.1-178.20000108.2V395 E405 W406 V408 V552 V576 L583V395-V397 HydrophobicContact CG1-CG2 4.11Å; V397-E405 PolarHBondContact O-N 2.83Å; V397-W406 HydrophobicContact CB-CB 4.09Å; V397-W406 PolarHBondContact N-O 2.88Å; V397-W406 PolarHBondContact O-N 2.98Å; V397-V408 HydrophobicContact CG2-CB 4.4Å; V397-V408 HydrophobicContact CG2-CG2 3.78Å; V397-V552 HydrophobicContact CG1-CG1 3.87Å; V397-V576 HydrophobicContact CG1-CB 4.32Å; V397-V576 HydrophobicContact CG1-CG2 4.09Å; V397-L583 HydrophobicContact CG2-CD1 3.99Å
398D95.5Very high94.5Very high3 Ų322.7 Ų22.72%0.01610%0.102CC..  trans-74.3142.5-179-63.5-33.5000110.3Y173 K403 N404 I556 I575Y173-D398 PolarHBondContact OH-OD2 3.4Å; D398-K403 WeakPolarHBondContact OD1-CA 3.12Å; D398-K403 WeakPolarHBondContact OD1-CG 3.37Å; D398-N404 PolarHBondContact OD1-N 2.91Å; D398-N404 PolarHBondContact OD1-OD1 2.79Å; D398-I556 WeakPolarHBondContact O-CD1 3.38Å; D398-I575 HydrophobicContact CB-CG2 4.03Å
399G95.6Very high95.4Very high1 Ų122.3 Ų22.31%0.0110%0.1CC..  trans-93.3-169.8174.500000111.9A172 R402 E405A172-G399 VanDerWaalsContact CB-O 3.23Å; A172-G399 WeakPolarHBondContact CB-O 3.36Å; G399-R402 WeakPolarHBondContact CA-O 3.47Å; G399-R402 PolarHBondContact N-O 3.26Å; G399-E405 WeakPolarHBondContact CA-OE2 3.47Å
400F95.9Very high96Very high11 Ų1118.3 Ų18.35%0.0489%0.085CC..SBendtrans-77.7-47.1175-179.7-119.2000111.7F171 A172 I556 D559 Q560 V563 E564F171-F400 WeakPolarHBondContact CA-O 3.46Å; F171-F400 AromaticContact CD1-CE1 3.89Å; F171-F400 HydrophobicContact CD1-CE1 3.89Å; F171-F400 AromaticContact CD1-CE2 3.91Å; F171-F400 HydrophobicContact CD1-CE2 3.91Å; F171-F400 AromaticContact CD1-CZ 3.55Å; F171-F400 HydrophobicContact CD1-CZ 3.55Å; F171-F400 AromaticContact CE1-CE1 3.77Å; F171-F400 HydrophobicContact CE1-CE1 3.77Å; F171-F400 HydrophobicContact CE1-CE2 4.2Å; F171-F400 AromaticContact CE1-CZ 3.44Å; F171-F400 HydrophobicContact CE1-CZ 3.44Å; F171-F400 VanDerWaalsContact CE1-CZ 3.44Å; A172-F400 PolarHBondContact N-O 3.42Å; F400-I556 HydrophobicContact CB-CG2 4.06Å; F400-D559 HydrophobicContact CB-CB 4Å; F400-D559 HydrophobicContact CD1-CB 3.86Å; F400-D559 WeakPolarHBondContact CE1-O 3.13Å; F400-D559 HydrophobicContact CG-CB 4.32Å; F400-Q560 HydrophobicContact CD1-CG 4.24Å; F400-Q560 HydrophobicContact CD2-CG 3.4Å; F400-Q560 VanDerWaalsContact CD2-CG 3.4Å; F400-Q560 HydrophobicContact CE1-CG 4.15Å; F400-Q560 HydrophobicContact CE2-CB 4.44Å; F400-Q560 HydrophobicContact CE2-CG 3.31Å; F400-Q560 HydrophobicContact CG-CG 3.88Å; F400-Q560 HydrophobicContact CZ-CB 4.38Å; F400-Q560 HydrophobicContact CZ-CG 3.68Å; F400-V563 HydrophobicContact CE1-CB 3.93Å; F400-V563 HydrophobicContact CE1-CG1 4.3Å; F400-V563 HydrophobicContact CE1-CG2 4.07Å; F400-E564 HydrophobicContact CZ-CG 4.14Å
401K93.6Very high96.1Very high78 Ų7817.8 Ų17.834%0.3398%0.079SC..SBendtrans-89.9-19.6-174.1-66.6172.8179.41570113F171 D559F171-K401 CarbonylContact C-O 3.51Å; F171-K401 VanDerWaalsContact C-O 3.27Å; K401-D559 IonicContact NZ-OD1 2.89Å; K401-D559 PolarHBondContact NZ-OD1 2.87Å
402R92Very high96.2Very high54 Ų5418 Ų1820%0.2048%0.08CC..SBendtrans-151.2140-168.6170.2166.188.175.9-6.1112.4G399 N404 E405 D533 T534 K535G399-R402 WeakPolarHBondContact CA-O 3.47Å; G399-R402 PolarHBondContact N-O 3.26Å; R402-N404 PolarHBondContact NH1-O 2.85Å; R402-E405 HydrophobicContact CB-CB 4.42Å; R402-D533 PolarHBondContact NE-O 2.9Å; R402-T534 PolarHBondContact NH2-O 2.94Å; R402-K535 PolarHBondContact NH2-O 3.28Å
403K91.9Very high96.1Very high63 Ų6320 Ų2027%0.2749%0.088SC..THydrogen-bonded Turntrans-67.6146.8167.3-163-178-169.51740111.7E210 D398 E405E210-K403 HydrophobicContact CG-CD 4.26Å; E210-K403 WeakPolarHBondContact OE2-CD 3.32Å; E210-K403 IonicContact OE2-NZ 3.39Å; E210-K403 PolarHBondContact OE2-NZ 2.88Å; D398-K403 WeakPolarHBondContact OD1-CA 3.12Å; D398-K403 WeakPolarHBondContact OD1-CG 3.37Å; K403-E405 PolarHBondContact O-N 2.58Å
404N94.2Very high95.9Very high55 Ų5526.4 Ų26.429%0.29412%0.118SC..THydrogen-bonded Turntrans5337.9-179.5-61-23.9000112.2Y396 D398 R402 W406Y396-N404 VanDerWaalsContact CB-OD1 3.25Å; Y396-N404 WeakPolarHBondContact CB-OD1 3.29Å; Y396-N404 HydrophobicContact CD1-CB 3.58Å; Y396-N404 HydrophobicContact CE1-CB 4.02Å; Y396-N404 HydrophobicContact CG-CB 3.96Å; D398-N404 PolarHBondContact OD1-N 2.91Å; D398-N404 PolarHBondContact OD1-OD1 2.79Å; R402-N404 PolarHBondContact NH1-O 2.85Å; N404-W406 VanDerWaalsContact C-N 3.26Å; N404-W406 PolarHBondContact O-N 2.85Å
405E95.1Very high95.7Very high20 Ų2032 Ų329%0.09314%0.144CC..  trans-69.8-28.4-180-170-178.4157.900112.1V397 G399 R402 K403 R525 P536 T537V397-E405 PolarHBondContact O-N 2.83Å; G399-E405 WeakPolarHBondContact CA-OE2 3.47Å; R402-E405 HydrophobicContact CB-CB 4.42Å; K403-E405 PolarHBondContact O-N 2.58Å; E405-R525 IonicContact OE1-CZ 3.04Å; E405-R525 IonicContact OE1-NH1 3.63Å; E405-R525 PolarHBondContact OE1-NH1 3.26Å; E405-P536 WeakPolarHBondContact O-CA 3.45Å; E405-T537 PolarHBondContact O-N 3.33Å
406W97.6Very high95.5Very high2 Ų232.6 Ų32.61%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-122.3146.3-174.1-49.991.2000110.4Y396 V397 N404 R525 T537 V539 F551 V552 N555Y396-W406 WeakPolarHBondContact CA-O 3.23Å; V397-W406 HydrophobicContact CB-CB 4.09Å; V397-W406 PolarHBondContact N-O 2.88Å; V397-W406 PolarHBondContact O-N 2.98Å; N404-W406 VanDerWaalsContact C-N 3.26Å; N404-W406 PolarHBondContact O-N 2.85Å; W406-R525 VanDerWaalsContact CH2-NH1 3.3Å; W406-T537 WeakPolarHBondContact CA-O 3.49Å; W406-T537 HydrophobicContact CE3-CG2 4.02Å; W406-T537 HydrophobicContact CZ3-CG2 3.8Å; W406-V539 HydrophobicContact CE3-CG2 3.91Å; W406-V539 HydrophobicContact CZ3-CG2 4.4Å; W406-F551 HydrophobicContact CZ3-CE1 4.1Å; W406-V552 HydrophobicContact CB-CG1 4.24Å; W406-V552 HydrophobicContact CB-CG2 4.19Å; W406-V552 HydrophobicContact CD2-CG1 3.95Å; W406-V552 HydrophobicContact CD2-CG2 4.12Å; W406-V552 HydrophobicContact CE3-CG2 4.18Å; W406-V552 HydrophobicContact CG-CG1 3.65Å; W406-V552 HydrophobicContact CG-CG2 4.12Å; W406-N555 HydrophobicContact CH2-CB 3.42Å; W406-N555 VanDerWaalsContact CH2-CB 3.42Å; W406-N555 HydrophobicContact CZ2-CB 3.43Å; W406-N555 VanDerWaalsContact CZ2-CB 3.43Å; W406-N555 HydrophobicContact CZ3-CB 4.5Å
407I98.4Very high95.4Very high0 Ų031 Ų310%014%0.142CC..EExtended strand (participates in β ladder)trans-118.9116.3166-64.3168.5000107.2P377 A394 V395 Y396 L423 H427 P536 T537 V538 V539P377-I407 HydrophobicContact CG-CG2 4.35Å; A394-I407 HydrophobicContact CB-CG2 3.92Å; V395-I407 CarbonylContact O-C 3.57Å; V395-I407 WeakPolarHBondContact O-CA 3.48Å; Y396-I407 HydrophobicContact CD1-CD1 4.28Å; Y396-I407 HydrophobicContact CD1-CG1 3.55Å; Y396-I407 HydrophobicContact CE1-CD1 3.7Å; Y396-I407 HydrophobicContact CE1-CG1 3.51Å; I407-L423 HydrophobicContact CD1-CD1 4.31Å; I407-L423 HydrophobicContact CG2-CD1 4.17Å; I407-L423 HydrophobicContact CG2-CD2 3.91Å; I407-L423 HydrophobicContact CG2-CG 4.47Å; I407-H427 HydrophobicContact CD1-CB 3.97Å; I407-P536 HydrophobicContact CD1-CB 3.81Å; I407-P536 HydrophobicContact CD1-CG 3.7Å; I407-P536 HydrophobicContact CG1-CB 3.94Å; I407-P536 HydrophobicContact CG1-CG 4.38Å; I407-T537 PolarHBondContact N-O 3.2Å; I407-V538 HydrophobicContact CB-CG2 4.32Å; I407-V538 CarbonylContact O-C 3.5Å; I407-V538 VanDerWaalsContact O-CA 3.27Å; I407-V538 WeakPolarHBondContact O-CA 3.47Å; I407-V539 PolarHBondContact O-N 2.73Å
408V98.4Very high95.3Very high0 Ų034 Ų340%016%0.158CC..EExtended strand (participates in β ladder)trans-99.1128.9176.71780000109.4A394 V395 V397 V539 G544 C548 V552 L583A394-V408 CarbonylContact C-O 3.46Å; A394-V408 WeakPolarHBondContact CA-O 3.37Å; V395-V408 HydrophobicContact CG1-CB 4.11Å; V395-V408 PolarHBondContact N-O 3.25Å; V395-V408 PolarHBondContact O-N 2.87Å; V397-V408 HydrophobicContact CG2-CB 4.4Å; V397-V408 HydrophobicContact CG2-CG2 3.78Å; V408-V539 WeakPolarHBondContact CA-O 3.23Å; V408-V539 HydrophobicContact CG2-CB 4.48Å; V408-G544 WeakPolarHBondContact CG1-O 3.36Å; V408-C548 HydrophobicContact CG1-CB 3.45Å; V408-C548 VanDerWaalsContact CG1-CB 3.45Å; V408-C548 HydrophobicContact CG2-CB 4.27Å; V408-V552 HydrophobicContact CG2-CG2 4.03Å; V408-L583 HydrophobicContact CG1-CD2 3.88Å
409T98.2Very high95.3Very high4 Ų434.4 Ų34.43%0.02516%0.161CC..EExtended strand (participates in β ladder)trans-140.5159.6-179.4-172.40000111.8N393 L423 V538 V539 I540 S541 G544N393-T409 PolarHBondContact O-OG1 3.14Å; N393-T409 VanDerWaalsContact O-OG1 3.13Å; T409-L423 HydrophobicContact CG2-CD2 4.43Å; T409-V538 HydrophobicContact CG2-CG1 3.79Å; T409-V539 PolarHBondContact N-O 2.91Å; T409-I540 HydrophobicContact CG2-CB 4.5Å; T409-I540 HydrophobicContact CG2-CG1 3.81Å; T409-I540 WeakPolarHBondContact O-CA 3.48Å; T409-S541 PolarHBondContact O-N 3.42Å; T409-G544 VanDerWaalsContact O-CA 3.32Å; T409-G544 WeakPolarHBondContact O-CA 3.34Å
410E97.2Very high95.4Very high8 Ų834.4 Ų34.44%0.03716%0.161CC..EExtended strand (participates in β ladder)trans-79.8161.7170.365.9-171.4-179.300112.3K363 N364 R365 N393 S541K363-E410 VanDerWaalsContact O-OE1 3.13Å; N364-E410 VanDerWaalsContact CA-OE1 3.32Å; N364-E410 WeakPolarHBondContact CA-OE1 3.44Å; R365-E410 WeakPolarHBondContact CB-OE2 3.23Å; R365-E410 HydrophobicContact CG-CG 4.32Å; R365-E410 WeakPolarHBondContact CG-OE2 3.41Å; R365-E410 PolarHBondContact N-OE1 3.09Å; R365-E410 VanDerWaalsContact N-OE1 3.07Å; R365-E410 PolarHBondContact N-OE2 3.16Å; N393-E410 HydrophobicContact CB-CG 4.23Å; N393-E410 VanDerWaalsContact CB-OE1 3.31Å; N393-E410 WeakPolarHBondContact CB-OE1 3.29Å; N393-E410 PolarHBondContact ND2-OE1 3.43Å; N393-E410 PolarHBondContact ND2-OE2 3.2Å; E410-S541 CarbonylContact C-O 3.58Å; E410-S541 WeakPolarHBondContact CA-O 3.43Å
411W96.3Very high95.4Very high20 Ų2033.9 Ų33.98%0.07616%0.159CC..PPolyproline II helixtrans-57.8128.7173.8-169.6-67.4000110R365 K413 N434 T436 Y444 P445 F447 I540 S541R365-W411 PolarHBondContact NE-O 2.87Å; R365-W411 PolarHBondContact NH2-O 3.42Å; W411-K413 PolarHBondContact O-N 2.9Å; W411-N434 WeakPolarHBondContact CZ3-ND2 3.22Å; W411-N434 WeakPolarHBondContact CZ3-OD1 3.38Å; W411-T436 WeakPolarHBondContact CZ3-O 3.44Å; W411-Y444 HydrophobicContact CB-CD1 4.14Å; W411-Y444 HydrophobicContact CD2-CD1 4.18Å; W411-Y444 HydrophobicContact CD2-CG 4.49Å; W411-Y444 AromaticContact CG-CD1 3.89Å; W411-Y444 HydrophobicContact CG-CD1 3.89Å; W411-P445 PolarHBondContact NE1-O 3.49Å; W411-F447 HydrophobicContact CD2-CD1 4.4Å; W411-F447 HydrophobicContact CD2-CE1 4.24Å; W411-F447 AromaticContact CE2-CD1 3.78Å; W411-F447 AromaticContact CE2-CE1 3.85Å; W411-F447 HydrophobicContact CE3-CE1 4.47Å; W411-F447 HydrophobicContact CH2-CE1 4.03Å; W411-F447 AromaticContact CZ2-CD1 3.91Å; W411-F447 HydrophobicContact CZ2-CD1 3.91Å; W411-F447 AromaticContact CZ2-CE1 3.74Å; W411-F447 HydrophobicContact CZ2-CE1 3.74Å; W411-F447 HydrophobicContact CZ3-CE1 4.38Å; W411-F447 AromaticContact NE1-CD1 3.85Å; W411-I540 HydrophobicContact CB-CG2 4.44Å; W411-S541 PolarHBondContact N-O 3.39Å
412P96Very high95.5Very high4 Ų430.2 Ų30.23%0.02614%0.143CC..PPolyproline II helixtrans-59.4134.3-175.4-24.934.7000112.7R365 I417 F420 P445 F447R365-P412 PolarHBondContact NH2-O 3.2Å; R365-P412 VanDerWaalsContact NH2-O 3.14Å; P412-I417 HydrophobicContact CB-CG1 4.1Å; P412-F420 HydrophobicContact CB-CB 4.03Å; P412-F420 HydrophobicContact CB-CG 4.48Å; P412-F420 HydrophobicContact CG-CB 3.52Å; P412-F420 HydrophobicContact CG-CD1 4.07Å; P412-F420 HydrophobicContact CG-CD2 3.78Å; P412-F420 HydrophobicContact CG-CG 3.49Å; P412-F420 VanDerWaalsContact CG-CG 3.49Å; P412-P445 WeakPolarHBondContact O-CG 3.43Å; P412-F447 HydrophobicContact CB-CB 4.4Å; P412-F447 HydrophobicContact CG-CB 4.01Å; P412-F447 HydrophobicContact CG-CD1 4.49Å; P412-F447 HydrophobicContact CG-CG 4.31Å
413K94.9Very high95.7Very high54 Ų5427.6 Ų27.624%0.23513%0.133CC..PPolyproline II helixtrans-73.5161.9167.9-60174.583.6174.20108.5G362 N364 R365 W411 H415 T416 I417G362-K413 PolarHBondContact O-NZ 2.64Å; N364-K413 PolarHBondContact O-NZ 3.35Å; R365-K413 HydrophobicContact CG-CD 4.17Å; R365-K413 HydrophobicContact CG-CG 4.07Å; W411-K413 PolarHBondContact O-N 2.9Å; K413-H415 PolarHBondContact O-N 3.44Å; K413-H415 VanDerWaalsContact O-N 3.16Å; K413-T416 HydrophobicContact CB-CG2 4.3Å; K413-T416 PolarHBondContact N-OG1 2.98Å; K413-T416 CarbonylContact O-C 3.58Å; K413-T416 PolarHBondContact O-N 2.63Å; K413-T416 PolarHBondContact O-OG1 3.25Å; K413-I417 WeakPolarHBondContact O-CG1 3.41Å; K413-I417 PolarHBondContact O-N 3.45Å
414Q94Very high95.9Very high137 Ų13724.6 Ų24.664%0.6412%0.12SC*.G310 helixtrans-53.4-42.6-175.9-174.460.845.200112.6T416 P445Q414-T416 VanDerWaalsContact C-N 3.33Å; Q414-T416 PolarHBondContact O-N 3.13Å; Q414-P445 HydrophobicContact CB-CG 4.35Å
415H92.5Very high95.9Very high117 Ų11722.9 Ų22.954%0.54211%0.11SC..G310 helixtrans-85.33.8178.964.2-78.5000114.6G362 K413G362-H415 PolarHBondContact O-CE1 3.11Å; G362-H415 PolarHBondContact O-NE2 3.36Å; K413-H415 PolarHBondContact O-N 3.44Å; K413-H415 VanDerWaalsContact O-N 3.16Å
416T94.5Very high95.8Very high13 Ų1323.6 Ų23.68%0.0811%0.114CC..G310 helixtrans-121.49.8177730000112.8K363 K413 Q414 D418 S419 F420K363-T416 HydrophobicContact CB-CG2 4.05Å; K363-T416 HydrophobicContact CG-CG2 4.08Å; K413-T416 HydrophobicContact CB-CG2 4.3Å; K413-T416 PolarHBondContact N-OG1 2.98Å; K413-T416 CarbonylContact O-C 3.58Å; K413-T416 PolarHBondContact O-N 2.63Å; K413-T416 PolarHBondContact O-OG1 3.25Å; Q414-T416 VanDerWaalsContact C-N 3.33Å; Q414-T416 PolarHBondContact O-N 3.13Å; T416-D418 PolarHBondContact O-N 3.41Å; T416-S419 WeakPolarHBondContact O-CB 3.41Å; T416-S419 PolarHBondContact O-N 3.43Å; T416-F420 PolarHBondContact O-N 2.65Å; T416-F420 VanDerWaalsContact O-N 3.09Å
417I95.6Very high95.6Very high7 Ų724.9 Ų24.94%0.03612%0.12CC..Hα-helixtrans-60.2-38.9174.4-66.8172.4000110.4P412 K413 S419 F420 W421 P445 F447 Y456P412-I417 HydrophobicContact CB-CG1 4.1Å; K413-I417 WeakPolarHBondContact O-CG1 3.41Å; K413-I417 PolarHBondContact O-N 3.45Å; I417-S419 VanDerWaalsContact C-N 3.33Å; I417-S419 PolarHBondContact O-N 3.28Å; I417-F420 WeakPolarHBondContact O-CB 3.28Å; I417-F420 PolarHBondContact O-N 3.23Å; I417-F420 VanDerWaalsContact O-N 3.17Å; I417-W421 VanDerWaalsContact O-CD1 3.27Å; I417-W421 PolarHBondContact O-N 3.22Å; I417-W421 VanDerWaalsContact O-N 3.11Å; I417-P445 HydrophobicContact CD1-CB 4.3Å; I417-P445 HydrophobicContact CD1-CG 4.31Å; I417-F447 HydrophobicContact CG1-CB 4.46Å; I417-F447 HydrophobicContact CG2-CB 4.4Å; I417-Y456 HydrophobicContact CG2-CD1 3.43Å; I417-Y456 VanDerWaalsContact CG2-CD1 3.43Å; I417-Y456 HydrophobicContact CG2-CE1 3.91Å; I417-Y456 HydrophobicContact CG2-CG 4.24Å
418D94.1Very high95.4Very high63 Ų6327.5 Ų27.534%0.33713%0.134SC..Hα-helixtrans-65.9-37.8178.2-62.5-10.3000111.7L382 T416 F420 W421 A422 Y456 G457L382-D418 HydrophobicContact CD2-CB 4.48Å; T416-D418 PolarHBondContact O-N 3.41Å; D418-F420 VanDerWaalsContact C-N 3.3Å; D418-F420 PolarHBondContact O-N 2.83Å; D418-W421 PolarHBondContact O-N 3.45Å; D418-A422 WeakPolarHBondContact O-CB 3.32Å; D418-A422 PolarHBondContact O-N 3.27Å; D418-Y456 WeakPolarHBondContact OD1-CA 3.35Å; D418-G457 VanDerWaalsContact CG-CA 3.45Å; D418-G457 PolarHBondContact OD1-N 3.37Å; D418-G457 VanDerWaalsContact OD2-CA 3.23Å; D418-G457 WeakPolarHBondContact OD2-CA 3.25Å; D418-G457 PolarHBondContact OD2-N 3.34Å
419S95.2Very high95.2Very high12 Ų1227.5 Ų27.58%0.08413%0.134CC..Hα-helixtrans-62.7-36.1172.8-55.40000112.4T416 I417 A422 L423T416-S419 WeakPolarHBondContact O-CB 3.41Å; T416-S419 PolarHBondContact O-N 3.43Å; I417-S419 VanDerWaalsContact C-N 3.33Å; I417-S419 PolarHBondContact O-N 3.28Å; S419-A422 PolarHBondContact O-N 3.25Å; S419-L423 PolarHBondContact O-N 3.26Å
420F97.1Very high94.9Very high1 Ų127.4 Ų27.40%0.00413%0.134CC..Hα-helixtrans-66-44175.2168.9-102000112.3P412 T416 I417 D418 A422 L423 I424 V432 F447 V538 I540P412-F420 HydrophobicContact CB-CB 4.03Å; P412-F420 HydrophobicContact CB-CG 4.48Å; P412-F420 HydrophobicContact CG-CB 3.52Å; P412-F420 HydrophobicContact CG-CD1 4.07Å; P412-F420 HydrophobicContact CG-CD2 3.78Å; P412-F420 HydrophobicContact CG-CG 3.49Å; P412-F420 VanDerWaalsContact CG-CG 3.49Å; T416-F420 PolarHBondContact O-N 2.65Å; T416-F420 VanDerWaalsContact O-N 3.09Å; I417-F420 WeakPolarHBondContact O-CB 3.28Å; I417-F420 PolarHBondContact O-N 3.23Å; I417-F420 VanDerWaalsContact O-N 3.17Å; D418-F420 VanDerWaalsContact C-N 3.3Å; D418-F420 PolarHBondContact O-N 2.83Å; F420-A422 VanDerWaalsContact C-N 3.33Å; F420-L423 WeakPolarHBondContact O-CB 3.31Å; F420-L423 PolarHBondContact O-N 3.17Å; F420-I424 HydrophobicContact CD1-CD1 4.17Å; F420-I424 HydrophobicContact CE1-CD1 3.47Å; F420-I424 VanDerWaalsContact CE1-CD1 3.47Å; F420-I424 HydrophobicContact CE2-CD1 3.95Å; F420-I424 HydrophobicContact CE2-CG1 4.43Å; F420-I424 HydrophobicContact CZ-CD1 3.37Å; F420-I424 HydrophobicContact CZ-CG1 4.31Å; F420-I424 PolarHBondContact O-N 3.07Å; F420-I424 VanDerWaalsContact O-N 3.15Å; F420-V432 HydrophobicContact CZ-CG1 4.15Å; F420-F447 HydrophobicContact CD1-CB 4.31Å; F420-F447 HydrophobicContact CD1-CD2 4.1Å; F420-F447 HydrophobicContact CD1-CG 4.49Å; F420-F447 HydrophobicContact CE1-CB 4.45Å; F420-F447 AromaticContact CE1-CD2 3.42Å; F420-F447 HydrophobicContact CE1-CD2 3.42Å; F420-F447 VanDerWaalsContact CE1-CD2 3.42Å; F420-F447 AromaticContact CE1-CE2 3.93Å; F420-F447 HydrophobicContact CE1-CE2 3.93Å; F420-F447 HydrophobicContact CE1-CG 4.19Å; F420-F447 AromaticContact CZ-CD2 3.9Å; F420-F447 HydrophobicContact CZ-CD2 3.9Å; F420-F447 AromaticContact CZ-CE2 3.97Å; F420-F447 HydrophobicContact CZ-CE2 3.97Å; F420-V538 HydrophobicContact CE2-CG1 4.44Å; F420-I540 HydrophobicContact CD2-CD1 4.32Å; F420-I540 HydrophobicContact CE2-CD1 3.33Å; F420-I540 HydrophobicContact CE2-CG1 4.28Å; F420-I540 HydrophobicContact CZ-CD1 3.6Å
421W96.5Very high94.9Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-69.6-32.7175.5-71.5110.2000112.6I417 D418 I424 F425 F447 I448 Y456 F459 V461 V477 V479I417-W421 VanDerWaalsContact O-CD1 3.27Å; I417-W421 PolarHBondContact O-N 3.22Å; I417-W421 VanDerWaalsContact O-N 3.11Å; D418-W421 PolarHBondContact O-N 3.45Å; W421-I424 HydrophobicContact CD2-CD1 4.5Å; W421-I424 HydrophobicContact CE3-CD1 3.72Å; W421-I424 HydrophobicContact CZ3-CD1 3.75Å; W421-I424 PolarHBondContact O-N 2.54Å; W421-F425 WeakPolarHBondContact O-CB 3.43Å; W421-F425 PolarHBondContact O-N 3.35Å; W421-F447 VanDerWaalsContact CZ2-O 3.26Å; W421-F447 WeakPolarHBondContact CZ2-O 3.36Å; W421-F447 PolarHBondContact NE1-O 2.58Å; W421-I448 HydrophobicContact CH2-CD1 4.34Å; W421-I448 HydrophobicContact CH2-CG1 4.47Å; W421-I448 HydrophobicContact CZ2-CB 4.15Å; W421-I448 HydrophobicContact CZ2-CG1 4.32Å; W421-Y456 VanDerWaalsContact CD1-CB 3.42Å; W421-Y456 AromaticContact CD1-CD1 3.98Å; W421-Y456 AromaticContact CD1-CD2 3.78Å; W421-Y456 AromaticContact CD1-CG 3.45Å; W421-Y456 VanDerWaalsContact CD1-CG 3.45Å; W421-Y456 HydrophobicContact CG-CD2 4.43Å; W421-Y456 HydrophobicContact CG-CG 4.37Å; W421-Y456 HydrophobicContact CZ2-CE2 4.36Å; W421-Y456 AromaticContact NE1-CD1 3.79Å; W421-Y456 AromaticContact NE1-CD2 3.47Å; W421-Y456 AromaticContact NE1-CE2 3.77Å; W421-Y456 AromaticContact NE1-CG 3.46Å; W421-F459 HydrophobicContact CB-CD2 3.74Å; W421-F459 HydrophobicContact CB-CE2 4.26Å; W421-F459 HydrophobicContact CB-CG 4.32Å; W421-V461 HydrophobicContact CD2-CG2 3.81Å; W421-V461 HydrophobicContact CE3-CG2 3.86Å; W421-V461 HydrophobicContact CG-CG2 4.37Å; W421-V461 HydrophobicContact CH2-CG1 3.8Å; W421-V461 HydrophobicContact CH2-CG2 4.26Å; W421-V461 HydrophobicContact CZ2-CG1 4.1Å; W421-V461 HydrophobicContact CZ2-CG2 4.2Å; W421-V461 HydrophobicContact CZ3-CG1 4.14Å; W421-V461 HydrophobicContact CZ3-CG2 4.09Å; W421-V477 HydrophobicContact CH2-CG2 4.05Å; W421-V477 HydrophobicContact CZ3-CG2 4.02Å; W421-V479 HydrophobicContact CE3-CG2 3.91Å; W421-V479 HydrophobicContact CZ3-CG2 3.75Å
422A95.1Very high94.9Very high0 Ų026.1 Ų26.10%013%0.128CC..Hα-helixtrans-61.5-43169.800000111.7L379 L382 D418 S419 F420 I424 F425 D426 F459L379-A422 HydrophobicContact CB-CB 4.42Å; L379-A422 HydrophobicContact CD1-CB 4.15Å; L379-A422 HydrophobicContact CD2-CB 4.08Å; L379-A422 HydrophobicContact CG-CB 4.46Å; L382-A422 HydrophobicContact CD1-CB 4.09Å; L382-A422 HydrophobicContact CD2-CB 4.05Å; L382-A422 HydrophobicContact CG-CB 3.68Å; D418-A422 WeakPolarHBondContact O-CB 3.32Å; D418-A422 PolarHBondContact O-N 3.27Å; S419-A422 PolarHBondContact O-N 3.25Å; F420-A422 VanDerWaalsContact C-N 3.33Å; A422-I424 PolarHBondContact O-N 3.41Å; A422-F425 PolarHBondContact O-N 3.24Å; A422-D426 WeakPolarHBondContact O-CB 3.19Å; A422-D426 PolarHBondContact O-N 2.86Å; A422-F459 HydrophobicContact CB-CE2 3.76Å; A422-F459 HydrophobicContact CB-CZ 3.89Å
423L96.8Very high95Very high0 Ų025.9 Ų25.90%013%0.127CC..Hα-helixtrans-56.9-49.2175.8178.173000111.2P377 L379 I392 A394 I407 T409 S419 F420 F425 H427 V538P377-L423 HydrophobicContact CB-CD1 3.6Å; P377-L423 HydrophobicContact CG-CD1 3.44Å; P377-L423 VanDerWaalsContact CG-CD1 3.44Å; L379-L423 HydrophobicContact CD2-CB 3.92Å; L379-L423 HydrophobicContact CD2-CD1 4.33Å; I392-L423 HydrophobicContact CD1-CB 4.09Å; I392-L423 HydrophobicContact CD1-CD2 4.08Å; I392-L423 HydrophobicContact CG2-CD1 4.25Å; A394-L423 HydrophobicContact CB-CD2 4.26Å; I407-L423 HydrophobicContact CD1-CD1 4.31Å; I407-L423 HydrophobicContact CG2-CD1 4.17Å; I407-L423 HydrophobicContact CG2-CD2 3.91Å; I407-L423 HydrophobicContact CG2-CG 4.47Å; T409-L423 HydrophobicContact CG2-CD2 4.43Å; S419-L423 PolarHBondContact O-N 3.26Å; F420-L423 WeakPolarHBondContact O-CB 3.31Å; F420-L423 PolarHBondContact O-N 3.17Å; L423-F425 VanDerWaalsContact C-N 3.33Å; L423-F425 PolarHBondContact O-N 3.46Å; L423-H427 VanDerWaalsContact O-CB 3.32Å; L423-H427 WeakPolarHBondContact O-CB 3.46Å; L423-H427 PolarHBondContact O-CD2 2.7Å; L423-H427 PolarHBondContact O-N 3.17Å; L423-H427 VanDerWaalsContact O-N 3.15Å; L423-V538 HydrophobicContact CD2-CG1 4.39Å
424I95.7Very high95.2Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-60.4-45.9178.6-69170.2000110.7F420 W421 A422 N428 C429 V432 C493F420-I424 HydrophobicContact CD1-CD1 4.17Å; F420-I424 HydrophobicContact CE1-CD1 3.47Å; F420-I424 VanDerWaalsContact CE1-CD1 3.47Å; F420-I424 HydrophobicContact CE2-CD1 3.95Å; F420-I424 HydrophobicContact CE2-CG1 4.43Å; F420-I424 HydrophobicContact CZ-CD1 3.37Å; F420-I424 HydrophobicContact CZ-CG1 4.31Å; F420-I424 PolarHBondContact O-N 3.07Å; F420-I424 VanDerWaalsContact O-N 3.15Å; W421-I424 HydrophobicContact CD2-CD1 4.5Å; W421-I424 HydrophobicContact CE3-CD1 3.72Å; W421-I424 HydrophobicContact CZ3-CD1 3.75Å; W421-I424 PolarHBondContact O-N 2.54Å; A422-I424 PolarHBondContact O-N 3.41Å; I424-N428 PolarHBondContact O-N 3.33Å; I424-C429 HydrophobicContact CB-CB 4.45Å; I424-C429 HydrophobicContact CG2-CB 4.22Å; I424-C429 PolarHBondContact O-N 3.24Å; I424-V432 HydrophobicContact CD1-CG2 3.7Å; I424-V432 HydrophobicContact CG1-CG2 4.05Å; I424-C493 HydrophobicContact CG2-CB 4.23Å
425F94.2Very high95.3Very high18 Ų1817 Ų178%0.0799%0.087CC..Hα-helixtrans-70.4-52.7-175.6-172.9-91.5000112.6W421 A422 L423 H427 N428 F459 V479 K481 D489 R491W421-F425 WeakPolarHBondContact O-CB 3.43Å; W421-F425 PolarHBondContact O-N 3.35Å; A422-F425 PolarHBondContact O-N 3.24Å; L423-F425 VanDerWaalsContact C-N 3.33Å; L423-F425 PolarHBondContact O-N 3.46Å; F425-H427 VanDerWaalsContact C-N 3.32Å; F425-H427 PolarHBondContact O-N 3.3Å; F425-N428 PolarHBondContact O-N 3.01Å; F425-F459 HydrophobicContact CB-CD1 4.26Å; F425-F459 HydrophobicContact CB-CE1 3.64Å; F425-F459 HydrophobicContact CB-CZ 4.08Å; F425-F459 AromaticContact CD1-CE1 3.72Å; F425-F459 HydrophobicContact CD1-CE1 3.72Å; F425-F459 HydrophobicContact CD1-CZ 4.44Å; F425-F459 HydrophobicContact CD2-CD1 4.2Å; F425-F459 HydrophobicContact CD2-CE1 4.03Å; F425-F459 HydrophobicContact CE1-CE1 4.4Å; F425-F459 HydrophobicContact CG-CD1 4.12Å; F425-F459 AromaticContact CG-CE1 3.51Å; F425-F459 HydrophobicContact CG-CE1 3.51Å; F425-F459 HydrophobicContact CG-CZ 4.34Å; F425-V479 HydrophobicContact CD2-CG1 4.1Å; F425-K481 HydrophobicContact CE1-CB 4.41Å; F425-K481 HydrophobicContact CE1-CD 4.48Å; F425-K481 HydrophobicContact CE2-CB 4.32Å; F425-K481 HydrophobicContact CZ-CB 3.92Å; F425-D489 WeakPolarHBondContact CE2-O 3.14Å; F425-R491 HydrophobicContact CD2-CG 3.65Å; F425-R491 HydrophobicContact CE2-CG 3.91Å; F425-R491 HydrophobicContact CG-CG 4.44Å
426D93.9Very high95.3Very high35 Ų3511.5 Ų11.519%0.1876%0.061CC..Hα-helixtrans-66.5-33.8-174.5-67.5-22.1000112L379 N380 T381 A422L379-D426 WeakPolarHBondContact CA-OD2 3.36Å; N380-D426 PolarHBondContact N-OD2 2.78Å; T381-D426 WeakPolarHBondContact CB-OD1 3.32Å; T381-D426 PolarHBondContact N-OD1 3.26Å; T381-D426 PolarHBondContact N-OD2 3.02Å; T381-D426 PolarHBondContact OG1-OD1 2.86Å; A422-D426 WeakPolarHBondContact O-CB 3.19Å; A422-D426 PolarHBondContact O-N 2.86Å
427H94.1Very high95Very high29 Ų2913.6 Ų13.613%0.1347%0.072CC..THydrogen-bonded Turntrans-97.89.4178.6-61.8-86.8000113.5P377 Y378 Y396 I407 L423 F425 C429 P536P377-H427 VanDerWaalsContact CB-CE1 3.46Å; P377-H427 WeakPolarHBondContact CB-CE1 3.42Å; P377-H427 VanDerWaalsContact CB-NE2 3.32Å; P377-H427 WeakPolarHBondContact CB-NE2 3.44Å; Y378-H427 PolarHBondContact O-NE2 3.31Å; Y396-H427 AromaticContact CZ-ND1 3.79Å; Y396-H427 PolarHBondContact OH-CE1 3.23Å; Y396-H427 PolarHBondContact OH-ND1 3.26Å; I407-H427 HydrophobicContact CD1-CB 3.97Å; L423-H427 VanDerWaalsContact O-CB 3.32Å; L423-H427 WeakPolarHBondContact O-CB 3.46Å; L423-H427 PolarHBondContact O-CD2 2.7Å; L423-H427 PolarHBondContact O-N 3.17Å; L423-H427 VanDerWaalsContact O-N 3.15Å; F425-H427 VanDerWaalsContact C-N 3.32Å; F425-H427 PolarHBondContact O-N 3.3Å; H427-C429 PolarHBondContact O-N 3.05Å; H427-P536 HydrophobicContact CB-CG 4.3Å; H427-P536 WeakPolarHBondContact O-CD 3.41Å
428N92.3Very high94.5Very high55 Ų5515.7 Ų15.729%0.2948%0.083SC..THydrogen-bonded Turntrans5242.7176.2-162.35.5000112.8I424 F425 R491 K535I424-N428 PolarHBondContact O-N 3.33Å; F425-N428 PolarHBondContact O-N 3.01Å; N428-R491 VanDerWaalsContact OD1-CD 3.23Å; N428-R491 WeakPolarHBondContact OD1-CD 3.3Å; N428-K535 VanDerWaalsContact ND2-CE 3.27Å; N428-K535 WeakPolarHBondContact ND2-CE 3.42Å; N428-K535 WeakPolarHBondContact O-CD 3.47Å
429C94.5Very high93.9Very high1 Ų121.7 Ų21.71%0.00711%0.109CC..  trans-76.7127.7-178.6-54.90000109.6I424 H427 V538I424-C429 HydrophobicContact CB-CB 4.45Å; I424-C429 HydrophobicContact CG2-CB 4.22Å; I424-C429 PolarHBondContact O-N 3.24Å; H427-C429 PolarHBondContact O-N 3.05Å; C429-V538 HydrophobicContact CB-CG2 3.78Å; C429-V538 WeakPolarHBondContact SG-CG2 3.27Å
430H93.3Very high93.8Very high2 Ų224.8 Ų24.81%0.00913%0.125CC..  trans-107.1-12.3175.861.179.5000113.3I492 C493 N494 W524 A528 P532 K535H430-I492 WeakPolarHBondContact CB-O 3.5Å; H430-C493 CarbonylContact O-C 3.52Å; H430-C493 VanDerWaalsContact O-CA 3.29Å; H430-C493 WeakPolarHBondContact O-CA 3.39Å; H430-N494 PolarHBondContact O-N 3.4Å; H430-W524 AromaticContact ND1-NE1 3.86Å; H430-W524 PolarHBondContact O-NE1 2.89Å; H430-A528 HydrophobicContact CB-CB 3.99Å; H430-A528 WeakPolarHBondContact ND1-CB 3.48Å; H430-P532 PolarHBondContact NE2-O 2.82Å; H430-K535 VanDerWaalsContact CD2-CB 3.42Å; H430-K535 WeakPolarHBondContact CD2-CB 3.3Å; H430-K535 VanDerWaalsContact CD2-CD 3.47Å; H430-K535 WeakPolarHBondContact CD2-CD 3.44Å
431T95.9Very high93.3Very high0 Ų028.9 Ų28.90%015%0.146CC..EExtended strand (participates in β ladder)trans-127.7126.6-179.8-54.30000109.2V433 R525 T537 V538T431-V433 HydrophobicContact CG2-CG2 4.15Å; T431-R525 HydrophobicContact CG2-CG 4.23Å; T431-R525 WeakPolarHBondContact OG1-CG 3.37Å; T431-T537 HydrophobicContact CG2-CG2 3.77Å; T431-V538 PolarHBondContact O-N 3.17Å
432V97.6Very high93Very high0 Ų038.5 Ų38.50%019%0.188CC..EExtended strand (participates in β ladder)trans-123.9127.9171.3177.80000107.6F420 I424 C493 N494 V495 I496 V538 I540F420-V432 HydrophobicContact CZ-CG1 4.15Å; I424-V432 HydrophobicContact CD1-CG2 3.7Å; I424-V432 HydrophobicContact CG1-CG2 4.05Å; V432-C493 VanDerWaalsContact CG2-SG 3.51Å; V432-N494 PolarHBondContact N-O 3.29Å; V432-V495 HydrophobicContact CB-CB 4.43Å; V432-V495 HydrophobicContact CB-CG1 4.34Å; V432-V495 HydrophobicContact CB-CG2 4.13Å; V432-V495 HydrophobicContact CG1-CG1 4.16Å; V432-V495 HydrophobicContact CG2-CG2 4.4Å; V432-V495 CarbonylContact O-C 3.54Å; V432-V495 WeakPolarHBondContact O-CA 3.41Å; V432-I496 PolarHBondContact O-N 3.04Å; V432-V538 CarbonylContact C-O 3.54Å; V432-V538 VanDerWaalsContact CA-O 3.3Å; V432-V538 WeakPolarHBondContact CA-O 3.4Å; V432-V538 HydrophobicContact CB-CB 4.46Å; V432-V538 HydrophobicContact CG1-CB 4.38Å; V432-V538 HydrophobicContact CG1-CG1 4.45Å; V432-V538 HydrophobicContact CG2-CB 4.03Å; V432-V538 HydrophobicContact CG2-CG2 4.42Å; V432-I540 HydrophobicContact CG1-CD1 3.52Å; V432-I540 HydrophobicContact CG1-CG1 4.04Å
433V98.2Very high92.8Very high0 Ų041.5 Ų41.50%021%0.206CC..EExtended strand (participates in β ladder)trans-116.1110.9175.3-173.40000109T431 L435 I496 V517 A521 T537 V538 V539 I540 F551T431-V433 HydrophobicContact CG2-CG2 4.15Å; V433-L435 HydrophobicContact CG1-CD2 3.66Å; V433-L435 HydrophobicContact CG1-CG 4.25Å; V433-I496 CarbonylContact C-O 3.33Å; V433-I496 WeakPolarHBondContact CA-O 3.36Å; V433-V517 HydrophobicContact CG1-CG1 4.16Å; V433-A521 HydrophobicContact CG2-CB 3.92Å; V433-T537 HydrophobicContact CG2-CG2 4.39Å; V433-V538 PolarHBondContact N-O 2.86Å; V433-V539 WeakPolarHBondContact O-CA 2.97Å; V433-I540 PolarHBondContact O-N 3.26Å; V433-F551 HydrophobicContact CB-CE1 4.17Å; V433-F551 HydrophobicContact CB-CZ 4.14Å; V433-F551 HydrophobicContact CG1-CE1 4.21Å; V433-F551 HydrophobicContact CG1-CE2 3.97Å; V433-F551 HydrophobicContact CG1-CZ 3.81Å; V433-F551 HydrophobicContact CG2-CE1 3.99Å; V433-F551 HydrophobicContact CG2-CZ 3.82Å
434N97.5Very high92.6Very high5 Ų543.1 Ų43.13%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-93.1112.6173.2172.226.8000110.1W411 T436 F447 I496 S497 V498 I540W411-N434 WeakPolarHBondContact CZ3-ND2 3.22Å; W411-N434 WeakPolarHBondContact CZ3-OD1 3.38Å; N434-T436 PolarHBondContact ND2-O 3.39Å; N434-T436 PolarHBondContact OD1-N 2.79Å; N434-T436 PolarHBondContact OD1-O 2.97Å; N434-F447 HydrophobicContact CB-CZ 4.36Å; N434-I496 PolarHBondContact N-O 2.81Å; N434-S497 PolarHBondContact ND2-OG 2.94Å; N434-S497 WeakPolarHBondContact O-CA 2.84Å; N434-V498 WeakPolarHBondContact O-CG2 3.32Å; N434-V498 PolarHBondContact O-N 3.45Å; N434-I540 HydrophobicContact CB-CB 4.44Å
435L97.1Very high92.5Very high0 Ų043.5 Ų43.50%022%0.215CC..  trans-93.811.7-173.9-59.8173.8000113.5V433 V498 W501 V539 I540 R547 F551V433-L435 HydrophobicContact CG1-CD2 3.66Å; V433-L435 HydrophobicContact CG1-CG 4.25Å; L435-V498 HydrophobicContact CD2-CG1 4.06Å; L435-W501 HydrophobicContact CB-CE3 4.49Å; L435-V539 HydrophobicContact CD1-CG1 3.4Å; L435-V539 VanDerWaalsContact CD1-CG1 3.4Å; L435-V539 HydrophobicContact CG-CG1 4.05Å; L435-I540 WeakPolarHBondContact CB-O 3.34Å; L435-I540 PolarHBondContact N-O 3.15Å; L435-R547 HydrophobicContact CB-CB 4.18Å; L435-R547 HydrophobicContact CD1-CB 4.2Å; L435-R547 WeakPolarHBondContact CD1-O 3.43Å; L435-R547 WeakPolarHBondContact O-CD 3.44Å; L435-F551 HydrophobicContact CD1-CB 3.48Å; L435-F551 VanDerWaalsContact CD1-CB 3.48Å; L435-F551 HydrophobicContact CD1-CG 4Å; L435-F551 HydrophobicContact CD2-CB 4.13Å; L435-F551 HydrophobicContact CD2-CD2 3.68Å; L435-F551 HydrophobicContact CD2-CE2 4.29Å; L435-F551 HydrophobicContact CD2-CG 3.93Å; L435-F551 HydrophobicContact CG-CB 4.43Å
436T92.6Very high92.5Very high1 Ų150.9 Ų50.91%0.00624%0.242CC..  trans-129.1134.6175.8-550000109.9W411 N434 D438 A503 H542 R547W411-T436 WeakPolarHBondContact CZ3-O 3.44Å; N434-T436 PolarHBondContact ND2-O 3.39Å; N434-T436 PolarHBondContact OD1-N 2.79Å; N434-T436 PolarHBondContact OD1-O 2.97Å; T436-D438 HydrophobicContact CG2-CB 4.44Å; T436-A503 HydrophobicContact CG2-CB 3.77Å; T436-H542 HydrophobicContact CG2-CB 3.99Å; T436-H542 PolarHBondContact OG1-N 3.34Å; T436-H542 VanDerWaalsContact OG1-N 3.14Å; T436-R547 PolarHBondContact OG1-NH1 3.09Å
437N88.1Confident92.6Very high56 Ų5649.4 Ų49.430%0.29923%0.234SC..BIsolated β-bridgetrans-108123.2160.461-47.5000109.7R499 W501 P502N437-R499 PolarHBondContact ND2-O 3.48Å; N437-W501 PolarHBondContact N-O 2.98Å; N437-W501 PolarHBondContact OD1-N 3.41Å; N437-W501 PolarHBondContact OD1-O 2.74Å; N437-P502 WeakPolarHBondContact OD1-CA 3.4Å; N437-P502 VanDerWaalsContact OD1-N 3.08Å
438D84.6Confident92.6Very high52 Ų5249 Ų4928%0.27823%0.233SC..  trans-143.8141.5175-160.1-62.5000109.3T436 N440 Y444 A503T436-D438 HydrophobicContact CG2-CB 4.44Å; D438-N440 VanDerWaalsContact OD1-CB 3.23Å; D438-N440 WeakPolarHBondContact OD1-CB 3.27Å; D438-N440 PolarHBondContact OD1-N 3.23Å; D438-Y444 HydrophobicContact CB-CD2 3.53Å; D438-Y444 HydrophobicContact CB-CE2 3.9Å; D438-Y444 HydrophobicContact CB-CG 4.31Å; D438-Y444 VanDerWaalsContact CG-CE2 3.43Å; D438-Y444 WeakPolarHBondContact OD2-CE2 3.45Å; D438-A503 HydrophobicContact CB-CB 4.41Å; D438-A503 WeakPolarHBondContact OD2-CB 3.19Å
439E82.8Confident92.7Very high188 Ų18847.2 Ų47.288%0.87922%0.223SC*.  trans-95-9.5-177-62.8-174.9171.600112.6L441E439-L441 VanDerWaalsContact C-N 3.34Å; E439-L441 PolarHBondContact O-N 2.95Å
440N91.1Very high92.5Very high77 Ų7750.9 Ų50.941%0.41225%0.248SC..  trans-77.281.9-179.1-170.2-13.1000111.8D438 K442 V443 Y444D438-N440 VanDerWaalsContact OD1-CB 3.23Å; D438-N440 WeakPolarHBondContact OD1-CB 3.27Å; D438-N440 PolarHBondContact OD1-N 3.23Å; N440-K442 PolarHBondContact O-N 3.4Å; N440-K442 VanDerWaalsContact O-N 3.07Å; N440-K442 WeakPolarHBondContact OD1-CB 3.28Å; N440-K442 PolarHBondContact OD1-N 2.93Å; N440-V443 WeakPolarHBondContact ND2-CG2 3.45Å; N440-V443 PolarHBondContact O-N 3.27Å; N440-Y444 HydrophobicContact CB-CD2 4.47Å; N440-Y444 PolarHBondContact O-N 3.01Å
441L87.9Confident92.6Very high88 Ų8860.9 Ų60.946%0.46129%0.286SS..THydrogen-bonded Turntrans-60.4-18.8-179.8-62.8-179.3000114.4E439 V443 R446E439-L441 VanDerWaalsContact C-N 3.34Å; E439-L441 PolarHBondContact O-N 2.95Å; L441-V443 VanDerWaalsContact C-N 3.35Å; L441-R446 HydrophobicContact CD2-CG 3.87Å
442K89.1Confident92.6Very high202 Ų20262.8 Ų62.888%0.87831%0.305SS*.THydrogen-bonded Turntrans-70.8-33.9175.1-65.2-175.6178.2-179.80111.7N440N440-K442 PolarHBondContact O-N 3.4Å; N440-K442 VanDerWaalsContact O-N 3.07Å; N440-K442 WeakPolarHBondContact OD1-CB 3.28Å; N440-K442 PolarHBondContact OD1-N 2.93Å
443V91Very high92.5Very high63 Ų6371 Ų7138%0.38234%0.336SS..THydrogen-bonded Turntrans-95.5-37.1-179.5-177.50000110.9R365 N440 L441 P445R365-V443 PolarHBondContact NH1-O 3.29Å; R365-V443 PolarHBondContact NH2-O 2.8Å; N440-V443 WeakPolarHBondContact ND2-CG2 3.45Å; N440-V443 PolarHBondContact O-N 3.27Å; L441-V443 VanDerWaalsContact C-N 3.35Å; V443-P445 WeakPolarHBondContact O-CD 3.44Å
444Y93.4Very high92.5Very high34 Ų3475.3 Ų75.313%0.13336%0.357CS..SBendtrans-121.478.8-175.1-54.2-61.8000109.8W411 D438 N440 H542W411-Y444 HydrophobicContact CB-CD1 4.14Å; W411-Y444 HydrophobicContact CD2-CD1 4.18Å; W411-Y444 HydrophobicContact CD2-CG 4.49Å; W411-Y444 AromaticContact CG-CD1 3.89Å; W411-Y444 HydrophobicContact CG-CD1 3.89Å; D438-Y444 HydrophobicContact CB-CD2 3.53Å; D438-Y444 HydrophobicContact CB-CE2 3.9Å; D438-Y444 HydrophobicContact CB-CG 4.31Å; D438-Y444 VanDerWaalsContact CG-CE2 3.43Å; D438-Y444 WeakPolarHBondContact OD2-CE2 3.45Å; N440-Y444 HydrophobicContact CB-CD2 4.47Å; N440-Y444 PolarHBondContact O-N 3.01Å; Y444-H542 HydrophobicContact CD1-CB 4.42Å; Y444-H542 HydrophobicContact CE1-CB 3.6Å
445P94.5Very high92.4Very high8 Ų877.6 Ų77.65%0.05238%0.376CS..  trans-65.7152.7-178.728.7-35.6000111.1W411 P412 Q414 I417 V443 F447W411-P445 PolarHBondContact NE1-O 3.49Å; P412-P445 WeakPolarHBondContact O-CG 3.43Å; Q414-P445 HydrophobicContact CB-CG 4.35Å; I417-P445 HydrophobicContact CD1-CB 4.3Å; I417-P445 HydrophobicContact CD1-CG 4.31Å; V443-P445 WeakPolarHBondContact O-CD 3.44Å; P445-F447 PolarHBondContact O-N 3.21Å; P445-F447 VanDerWaalsContact O-N 3.08Å
446R93.7Very high92.2Very high173 Ų17378.1 Ų78.165%0.65338%0.378SS*.  trans-67.8109175.3-66.5-175.8-175169.10.9109.6L441 I448L441-R446 HydrophobicContact CD2-CG 3.87Å; R446-I448 VanDerWaalsContact C-N 3.29Å
447F94.8Very high92.1Very high4 Ų479.6 Ų79.62%0.01839%0.393CS..SBendtrans-81.4-11.4174.561.9-96.6000112.8W411 P412 I417 F420 W421 N434 P445 V495 I540W411-F447 HydrophobicContact CD2-CD1 4.4Å; W411-F447 HydrophobicContact CD2-CE1 4.24Å; W411-F447 AromaticContact CE2-CD1 3.78Å; W411-F447 AromaticContact CE2-CE1 3.85Å; W411-F447 HydrophobicContact CE3-CE1 4.47Å; W411-F447 HydrophobicContact CH2-CE1 4.03Å; W411-F447 AromaticContact CZ2-CD1 3.91Å; W411-F447 HydrophobicContact CZ2-CD1 3.91Å; W411-F447 AromaticContact CZ2-CE1 3.74Å; W411-F447 HydrophobicContact CZ2-CE1 3.74Å; W411-F447 HydrophobicContact CZ3-CE1 4.38Å; W411-F447 AromaticContact NE1-CD1 3.85Å; P412-F447 HydrophobicContact CB-CB 4.4Å; P412-F447 HydrophobicContact CG-CB 4.01Å; P412-F447 HydrophobicContact CG-CD1 4.49Å; P412-F447 HydrophobicContact CG-CG 4.31Å; I417-F447 HydrophobicContact CG1-CB 4.46Å; I417-F447 HydrophobicContact CG2-CB 4.4Å; F420-F447 HydrophobicContact CD1-CB 4.31Å; F420-F447 HydrophobicContact CD1-CD2 4.1Å; F420-F447 HydrophobicContact CD1-CG 4.49Å; F420-F447 HydrophobicContact CE1-CB 4.45Å; F420-F447 AromaticContact CE1-CD2 3.42Å; F420-F447 HydrophobicContact CE1-CD2 3.42Å; F420-F447 VanDerWaalsContact CE1-CD2 3.42Å; F420-F447 AromaticContact CE1-CE2 3.93Å; F420-F447 HydrophobicContact CE1-CE2 3.93Å; F420-F447 HydrophobicContact CE1-CG 4.19Å; F420-F447 AromaticContact CZ-CD2 3.9Å; F420-F447 HydrophobicContact CZ-CD2 3.9Å; F420-F447 AromaticContact CZ-CE2 3.97Å; F420-F447 HydrophobicContact CZ-CE2 3.97Å; W421-F447 VanDerWaalsContact CZ2-O 3.26Å; W421-F447 WeakPolarHBondContact CZ2-O 3.36Å; W421-F447 PolarHBondContact NE1-O 2.58Å; N434-F447 HydrophobicContact CB-CZ 4.36Å; P445-F447 PolarHBondContact O-N 3.21Å; P445-F447 VanDerWaalsContact O-N 3.08Å; F447-V495 HydrophobicContact CE2-CG1 3.94Å; F447-V495 HydrophobicContact CZ-CG1 4.27Å; F447-I540 HydrophobicContact CE2-CD1 4.48Å; F447-I540 HydrophobicContact CZ-CD1 4.24Å
448I95Very high92.3Very high19 Ų1978.7 Ų78.710%0.09739%0.391CS..SBendtrans-133.9140.1176.1-172.8168000109.9W421 R446 H475 V477 V495W421-I448 HydrophobicContact CH2-CD1 4.34Å; W421-I448 HydrophobicContact CH2-CG1 4.47Å; W421-I448 HydrophobicContact CZ2-CB 4.15Å; W421-I448 HydrophobicContact CZ2-CG1 4.32Å; R446-I448 VanDerWaalsContact C-N 3.29Å; I448-H475 HydrophobicContact CD1-CB 3.53Å; I448-V477 HydrophobicContact CD1-CG1 3.54Å; I448-V477 HydrophobicContact CG1-CG1 4.38Å; I448-V495 HydrophobicContact CD1-CB 4.18Å; I448-V495 HydrophobicContact CD1-CG2 3.91Å
449H94.3Very high92.7Very high18 Ų1876.2 Ų76.28%0.08338%0.377CS..  trans-90158.8177.460.5-68000110.5R451 G452 Q454 Y456 V461 V463H449-R451 PolarHBondContact CD2-O 3.4Å; H449-R451 VanDerWaalsContact CD2-O 3.27Å; H449-G452 PolarHBondContact NE2-O 2.95Å; H449-G452 VanDerWaalsContact NE2-O 3.09Å; H449-Q454 HydrophobicContact CB-CB 4.37Å; H449-Q454 VanDerWaalsContact CB-OE1 3.25Å; H449-Q454 PolarHBondContact NE2-N 3.39Å; H449-Y456 PolarHBondContact N-OH 3.01Å; H449-Y456 AromaticContact ND1-CE2 3.7Å; H449-Y456 AromaticContact ND1-CZ 3.83Å; H449-Y456 PolarHBondContact ND1-OH 3.47Å; H449-Y456 VanDerWaalsContact ND1-OH 3.07Å; H449-V461 PolarHBondContact CE1-O 3.22Å; H449-V461 PolarHBondContact NE2-O 3.38Å; H449-V463 WeakPolarHBondContact O-CG2 3.46Å
450S91.1Very high93.3Very high78 Ų7869.7 Ų69.755%0.54535%0.35SS..SBendtrans-79.2-30.1-170.250.60000114.5
451R94.7Very high93.6Very high213 Ų21366 Ų6680%0.80433%0.33SS*.SBendtrans-159.6153.1-176.162.9-178.1-177.2-178.50.8112.4H449H449-R451 PolarHBondContact CD2-O 3.4Å; H449-R451 VanDerWaalsContact CD2-O 3.27Å
452G96.1Very high94Very high39 Ų3964 Ų6440%0.40232%0.318SS..EExtended strand (participates in β ladder)trans83.7-144.2174.100000112.6H449 E462 V463H449-G452 PolarHBondContact NE2-O 2.95Å; H449-G452 VanDerWaalsContact NE2-O 3.09Å; G452-E462 CarbonylContact O-C 3.59Å; G452-E462 WeakPolarHBondContact O-CA 3.39Å; G452-V463 PolarHBondContact O-N 3.23Å
453R96.1Very high94.4Very high173 Ų17355.3 Ų55.365%0.65328%0.282SS*.EExtended strand (participates in β ladder)trans-123.4136.4-177.5-60.3-176.1179.3-175.9-6.1110.3V460 V461 E462R453-V460 HydrophobicContact CB-CG1 4.46Å; R453-V461 WeakPolarHBondContact CA-O 3.35Å; R453-E462 HydrophobicContact CG-CB 3.82Å; R453-E462 HydrophobicContact CG-CG 3.78Å; R453-E462 IonicContact CZ-OE1 3.23Å; R453-E462 VanDerWaalsContact CZ-OE1 3.23Å; R453-E462 IonicContact CZ-OE2 3.53Å; R453-E462 IonicContact NE-OE1 2.83Å; R453-E462 PolarHBondContact NE-OE1 3.43Å; R453-E462 IonicContact NE-OE2 3.39Å; R453-E462 PolarHBondContact NE-OE2 3.25Å; R453-E462 VanDerWaalsContact NH2-CD 3.28Å; R453-E462 IonicContact NH2-OE1 2.78Å; R453-E462 PolarHBondContact NH2-OE1 3.39Å; R453-E462 IonicContact NH2-OE2 3.1Å; R453-E462 PolarHBondContact NH2-OE2 2.86Å; R453-E462 VanDerWaalsContact NH2-OE2 3.1Å
454Q96.8Very high94.7Very high91 Ų9156.4 Ų56.443%0.42529%0.286SS..EExtended strand (participates in β ladder)trans-139.1147.3173.6-173.4168.9-30.100111H449 Y456 V461H449-Q454 HydrophobicContact CB-CB 4.37Å; H449-Q454 VanDerWaalsContact CB-OE1 3.25Å; H449-Q454 PolarHBondContact NE2-N 3.39Å; Q454-Y456 HydrophobicContact CB-CE2 4.11Å; Q454-Y456 HydrophobicContact CG-CE2 4.25Å; Q454-V461 PolarHBondContact N-O 3.14Å; Q454-V461 PolarHBondContact O-N 2.88Å
455A94.9Very high94.8Very high52 Ų5256.7 Ų56.743%0.4329%0.293SS..EExtended strand (participates in β ladder)trans-89.6137.4173.500000111.7F459A455-F459 CarbonylContact C-O 3.57Å; A455-F459 VanDerWaalsContact CA-O 3.26Å; A455-F459 WeakPolarHBondContact CA-O 3.19Å
456Y94.2Very high94.9Very high12 Ų1261.3 Ų61.35%0.04731%0.31CS..EExtended strand (participates in β ladder)trans-129.5101.8169.4-58.6-81.6000107.2I417 D418 W421 H449 Q454 F459 V461I417-Y456 HydrophobicContact CG2-CD1 3.43Å; I417-Y456 VanDerWaalsContact CG2-CD1 3.43Å; I417-Y456 HydrophobicContact CG2-CE1 3.91Å; I417-Y456 HydrophobicContact CG2-CG 4.24Å; D418-Y456 WeakPolarHBondContact OD1-CA 3.35Å; W421-Y456 VanDerWaalsContact CD1-CB 3.42Å; W421-Y456 AromaticContact CD1-CD1 3.98Å; W421-Y456 AromaticContact CD1-CD2 3.78Å; W421-Y456 AromaticContact CD1-CG 3.45Å; W421-Y456 VanDerWaalsContact CD1-CG 3.45Å; W421-Y456 HydrophobicContact CG-CD2 4.43Å; W421-Y456 HydrophobicContact CG-CG 4.37Å; W421-Y456 HydrophobicContact CZ2-CE2 4.36Å; W421-Y456 AromaticContact NE1-CD1 3.79Å; W421-Y456 AromaticContact NE1-CD2 3.47Å; W421-Y456 AromaticContact NE1-CE2 3.77Å; W421-Y456 AromaticContact NE1-CG 3.46Å; H449-Y456 PolarHBondContact N-OH 3.01Å; H449-Y456 AromaticContact ND1-CE2 3.7Å; H449-Y456 AromaticContact ND1-CZ 3.83Å; H449-Y456 PolarHBondContact ND1-OH 3.47Å; H449-Y456 VanDerWaalsContact ND1-OH 3.07Å; Q454-Y456 HydrophobicContact CB-CE2 4.11Å; Q454-Y456 HydrophobicContact CG-CE2 4.25Å; Y456-F459 PolarHBondContact N-O 3.01Å; Y456-F459 WeakPolarHBondContact O-CB 3.41Å; Y456-F459 WeakPolarHBondContact O-CD2 3.45Å; Y456-F459 PolarHBondContact O-N 2.95Å; Y456-V461 HydrophobicContact CD2-CB 3.93Å; Y456-V461 HydrophobicContact CD2-CG2 3.56Å; Y456-V461 HydrophobicContact CE2-CB 3.88Å; Y456-V461 HydrophobicContact CE2-CG1 4.5Å; Y456-V461 HydrophobicContact CE2-CG2 3.97Å
457G90.8Very high95.1Very high32 Ų3257.1 Ų57.133%0.3330%0.298SS..THydrogen-bonded Turntrans52.7-121.8-17300000112.4D418 F459 K482D418-G457 VanDerWaalsContact CG-CA 3.45Å; D418-G457 PolarHBondContact OD1-N 3.37Å; D418-G457 VanDerWaalsContact OD2-CA 3.23Å; D418-G457 WeakPolarHBondContact OD2-CA 3.25Å; D418-G457 PolarHBondContact OD2-N 3.34Å; G457-F459 PolarHBondContact O-N 3.28Å; G457-K482 WeakPolarHBondContact O-CE 3.5Å; G457-K482 PolarHBondContact O-NZ 3.29Å
458P91.4Very high95.1Very high37 Ų3762.7 Ų62.724%0.2432%0.324CS..THydrogen-bonded Turntrans-80.11.1179.434.9-35.3000113.7T381 L382 K482T381-P458 HydrophobicContact CG2-CG 4.2Å; L382-P458 HydrophobicContact CD2-CG 3.91Å; P458-K482 WeakPolarHBondContact O-CB 3.21Å; P458-K482 VanDerWaalsContact O-CG 3.31Å; P458-K482 WeakPolarHBondContact O-CG 3.23Å; P458-K482 PolarHBondContact O-N 3.39Å
459F94Very high95.2Very high0 Ų066.5 Ų66.50%034%0.338CS..EExtended strand (participates in β ladder)trans-106.1145.3-175.9-51.8-73.6000111.8T381 L382 W421 A422 F425 A455 Y456 G457 V479 V480T381-F459 HydrophobicContact CG2-CE1 3.63Å; T381-F459 HydrophobicContact CG2-CE2 4.49Å; T381-F459 HydrophobicContact CG2-CZ 3.43Å; T381-F459 VanDerWaalsContact CG2-CZ 3.43Å; L382-F459 HydrophobicContact CD2-CE2 4.31Å; W421-F459 HydrophobicContact CB-CD2 3.74Å; W421-F459 HydrophobicContact CB-CE2 4.26Å; W421-F459 HydrophobicContact CB-CG 4.32Å; A422-F459 HydrophobicContact CB-CE2 3.76Å; A422-F459 HydrophobicContact CB-CZ 3.89Å; F425-F459 HydrophobicContact CB-CD1 4.26Å; F425-F459 HydrophobicContact CB-CE1 3.64Å; F425-F459 HydrophobicContact CB-CZ 4.08Å; F425-F459 AromaticContact CD1-CE1 3.72Å; F425-F459 HydrophobicContact CD1-CE1 3.72Å; F425-F459 HydrophobicContact CD1-CZ 4.44Å; F425-F459 HydrophobicContact CD2-CD1 4.2Å; F425-F459 HydrophobicContact CD2-CE1 4.03Å; F425-F459 HydrophobicContact CE1-CE1 4.4Å; F425-F459 HydrophobicContact CG-CD1 4.12Å; F425-F459 AromaticContact CG-CE1 3.51Å; F425-F459 HydrophobicContact CG-CE1 3.51Å; F425-F459 HydrophobicContact CG-CZ 4.34Å; A455-F459 CarbonylContact C-O 3.57Å; A455-F459 VanDerWaalsContact CA-O 3.26Å; A455-F459 WeakPolarHBondContact CA-O 3.19Å; Y456-F459 PolarHBondContact N-O 3.01Å; Y456-F459 WeakPolarHBondContact O-CB 3.41Å; Y456-F459 WeakPolarHBondContact O-CD2 3.45Å; Y456-F459 PolarHBondContact O-N 2.95Å; G457-F459 PolarHBondContact O-N 3.28Å; F459-V479 HydrophobicContact CB-CG1 4.14Å; F459-V479 HydrophobicContact CD1-CG1 4.15Å; F459-V479 HydrophobicContact CG-CG1 4.34Å; F459-V480 CarbonylContact C-O 3.42Å; F459-V480 WeakPolarHBondContact CA-O 3.44Å
460V94.9Very high95.2Very high50 Ų5070.2 Ų70.230%0.30336%0.363SS..EExtended strand (participates in β ladder)trans-108.9119.3163.4-179.10000106.8R453 V480 K482R453-V460 HydrophobicContact CB-CG1 4.46Å; V460-V480 PolarHBondContact N-O 3.33Å; V460-V480 PolarHBondContact O-N 2.93Å; V460-K482 HydrophobicContact CG2-CG 3.82Å
461V96.7Very high95.5Very high0 Ų070.5 Ų70.50%035%0.353CS..EExtended strand (participates in β ladder)trans-106.5125.4177.6-179.60000107.4W421 H449 R453 Q454 Y456 V477 K478 V479W421-V461 HydrophobicContact CD2-CG2 3.81Å; W421-V461 HydrophobicContact CE3-CG2 3.86Å; W421-V461 HydrophobicContact CG-CG2 4.37Å; W421-V461 HydrophobicContact CH2-CG1 3.8Å; W421-V461 HydrophobicContact CH2-CG2 4.26Å; W421-V461 HydrophobicContact CZ2-CG1 4.1Å; W421-V461 HydrophobicContact CZ2-CG2 4.2Å; W421-V461 HydrophobicContact CZ3-CG1 4.14Å; W421-V461 HydrophobicContact CZ3-CG2 4.09Å; H449-V461 PolarHBondContact CE1-O 3.22Å; H449-V461 PolarHBondContact NE2-O 3.38Å; R453-V461 WeakPolarHBondContact CA-O 3.35Å; Q454-V461 PolarHBondContact N-O 3.14Å; Q454-V461 PolarHBondContact O-N 2.88Å; Y456-V461 HydrophobicContact CD2-CB 3.93Å; Y456-V461 HydrophobicContact CD2-CG2 3.56Å; Y456-V461 HydrophobicContact CE2-CB 3.88Å; Y456-V461 HydrophobicContact CE2-CG1 4.5Å; Y456-V461 HydrophobicContact CE2-CG2 3.97Å; V461-V477 HydrophobicContact CG1-CB 3.77Å; V461-V477 HydrophobicContact CG1-CG1 3.97Å; V461-V477 HydrophobicContact CG1-CG2 4.13Å; V461-K478 CarbonylContact C-O 3.58Å; V461-K478 WeakPolarHBondContact CA-O 3.49Å; V461-V479 HydrophobicContact CG2-CG1 4.2Å; V461-V479 HydrophobicContact CG2-CG2 4.22Å
462E97.1Very high95.6Very high45 Ų4560.5 Ų60.521%0.2132%0.316CS..EExtended strand (participates in β ladder)trans-112.2125.8176.5176.1171-146.300109.7G452 R453 L464 V477 K478G452-E462 CarbonylContact O-C 3.59Å; G452-E462 WeakPolarHBondContact O-CA 3.39Å; R453-E462 HydrophobicContact CG-CB 3.82Å; R453-E462 HydrophobicContact CG-CG 3.78Å; R453-E462 IonicContact CZ-OE1 3.23Å; R453-E462 VanDerWaalsContact CZ-OE1 3.23Å; R453-E462 IonicContact CZ-OE2 3.53Å; R453-E462 IonicContact NE-OE1 2.83Å; R453-E462 PolarHBondContact NE-OE1 3.43Å; R453-E462 IonicContact NE-OE2 3.39Å; R453-E462 PolarHBondContact NE-OE2 3.25Å; R453-E462 VanDerWaalsContact NH2-CD 3.28Å; R453-E462 IonicContact NH2-OE1 2.78Å; R453-E462 PolarHBondContact NH2-OE1 3.39Å; R453-E462 IonicContact NH2-OE2 3.1Å; R453-E462 PolarHBondContact NH2-OE2 2.86Å; R453-E462 VanDerWaalsContact NH2-OE2 3.1Å; E462-L464 HydrophobicContact CG-CD2 4.04Å; E462-L464 PolarHBondContact O-N 2.81Å; E462-V477 CarbonylContact O-C 3.47Å; E462-V477 WeakPolarHBondContact O-CA 3.38Å; E462-V477 WeakPolarHBondContact O-CB 3.44Å; E462-K478 HydrophobicContact CB-CB 4.33Å; E462-K478 PolarHBondContact N-O 3.23Å; E462-K478 PolarHBondContact O-N 3.4Å
463V97.8Very high95.6Very high20 Ų2059.3 Ų59.312%0.12130%0.301CS..EExtended strand (participates in β ladder)trans-79.2109.7172.6-177.60000109.1H449 G452 V477H449-V463 WeakPolarHBondContact O-CG2 3.46Å; G452-V463 PolarHBondContact O-N 3.23Å; V463-V477 HydrophobicContact CG2-CG1 4.18Å
464L96.5Very high95.7Very high86 Ų8651.2 Ų51.245%0.4527%0.271SS..EExtended strand (participates in β ladder)trans-82.9-37.2177.6-59.1-178.4000111.9E462 I476 K478E462-L464 HydrophobicContact CG-CD2 4.04Å; E462-L464 PolarHBondContact O-N 2.81Å; L464-I476 HydrophobicContact CB-CG2 4.38Å; L464-I476 WeakPolarHBondContact CB-O 3.26Å; L464-I476 HydrophobicContact CD1-CG2 4.3Å; L464-I476 PolarHBondContact N-O 2.83Å; L464-K478 HydrophobicContact CD1-CB 4.03Å; L464-K478 HydrophobicContact CD2-CB 4.13Å; L464-K478 HydrophobicContact CG-CB 4.1Å
465S95.9Very high95.7Very high40 Ų4047.9 Ų47.928%0.2826%0.255SS..EExtended strand (participates in β ladder)trans-152.1141.3-178.7-169.50000111.2H475 I476S465-H475 WeakPolarHBondContact O-CA 3.45Å; S465-I476 PolarHBondContact N-O 2.81Å; S465-I476 PolarHBondContact O-N 3.06Å
466Y96.7Very high95.8Very high105 Ų10547 Ų4741%0.41224%0.243SC..EExtended strand (participates in β ladder)trans-126.1127.8170.2171.7-103.3000109.2Q468 T473 S474 H475Y466-Q468 HydrophobicContact CE1-CB 4.38Å; Y466-Q468 PolarHBondContact OH-OE1 3.08Å; Y466-T473 HydrophobicContact CE2-CG2 4.25Å; Y466-S474 WeakPolarHBondContact CA-O 3.26Å; Y466-H475 AromaticContact CD2-CD2 3.56Å; Y466-H475 AromaticContact CD2-CE1 3.42Å; Y466-H475 VanDerWaalsContact CD2-CE1 3.42Å; Y466-H475 WeakPolarHBondContact CD2-CE1 3.42Å; Y466-H475 AromaticContact CD2-CG 3.93Å; Y466-H475 AromaticContact CD2-ND1 3.83Å; Y466-H475 AromaticContact CD2-NE2 3.22Å; Y466-H475 WeakPolarHBondContact CD2-NE2 3.48Å; Y466-H475 AromaticContact CE2-CE1 3.3Å; Y466-H475 WeakPolarHBondContact CE2-CE1 3.28Å; Y466-H475 AromaticContact CE2-NE2 3.4Å; Y466-H475 WeakPolarHBondContact CE2-NE2 3.33Å
467Q96.5Very high95.9Very high85 Ų8546.4 Ų46.440%0.39724%0.241SC..EExtended strand (participates in β ladder)trans-134.8138.8176.7-68.2179.7-1300110.3Y469 T473 S474Q467-Y469 HydrophobicContact CB-CD2 4.38Å; Q467-Y469 HydrophobicContact CB-CE2 3.69Å; Q467-Y469 PolarHBondContact OE1-OH 3.2Å; Q467-T473 CarbonylContact O-C 3.58Å; Q467-T473 WeakPolarHBondContact O-CA 3.48Å; Q467-S474 PolarHBondContact N-O 3.26Å; Q467-S474 PolarHBondContact O-N 3.44Å
468Q96.1Very high96.1Very high122 Ų12247 Ų4757%0.5723%0.234SC*.EExtended strand (participates in β ladder)trans-112.6115178.1-178.2174.4-58.800109.8Y466 T473 R499Y466-Q468 HydrophobicContact CE1-CB 4.38Å; Y466-Q468 PolarHBondContact OH-OE1 3.08Å; Q468-T473 HydrophobicContact CG-CG2 4.27Å; Q468-R499 VanDerWaalsContact CG-NH1 3.27Å
469Y95.8Very high96.2Very high98 Ų9845.2 Ų45.238%0.38422%0.223SC..  trans-99.2163.6174.8-63.9-91.8000109.9Q467 Y471 A472 R499 M520Q467-Y469 HydrophobicContact CB-CD2 4.38Å; Q467-Y469 HydrophobicContact CB-CE2 3.69Å; Q467-Y469 PolarHBondContact OE1-OH 3.2Å; Y469-Y471 VanDerWaalsContact C-N 3.28Å; Y469-Y471 PolarHBondContact O-N 3.09Å; Y469-A472 CarbonylContact C-O 3.5Å; Y469-A472 WeakPolarHBondContact CA-O 3.44Å; Y469-A472 WeakPolarHBondContact CB-O 3.26Å; Y469-A472 PolarHBondContact N-O 2.87Å; Y469-A472 PolarHBondContact O-N 3.39Å; Y469-R499 VanDerWaalsContact O-CZ 3.29Å; Y469-R499 PolarHBondContact O-NE 2.98Å; Y469-R499 PolarHBondContact O-NH2 3.34Å; Y469-M520 HydrophobicContact CD2-CE 3.66Å; Y469-M520 HydrophobicContact CD2-SD 4.18Å; Y469-M520 HydrophobicContact CE2-CE 3.33Å; Y469-M520 HydrophobicContact CE2-SD 4.3Å
470P95.1Very high96.2Very high96 Ų9647.1 Ų47.162%0.62323%0.234SC*.SBendtrans-50.4-46179.4-3036.7000113.4R499P470-R499 PolarHBondContact O-NE 3.45Å; P470-R499 PolarHBondContact O-NH2 3.41Å
471Y96.5Very high96Very high84 Ų8448 Ų4833%0.32923%0.234SC..SBendtrans-106.1-6.4-173.5-49.7-57.3000114.9Y469 R499 I500 G513 D516Y469-Y471 VanDerWaalsContact C-N 3.28Å; Y469-Y471 PolarHBondContact O-N 3.09Å; Y471-R499 PolarHBondContact O-N 3.22Å; Y471-I500 HydrophobicContact CD1-CG2 3.63Å; Y471-I500 HydrophobicContact CG-CG2 4.21Å; Y471-G513 VanDerWaalsContact CG-CA 3.46Å; Y471-D516 HydrophobicContact CD2-CB 4.17Å; Y471-D516 WeakPolarHBondContact CD2-OD2 3.5Å; Y471-D516 VanDerWaalsContact CE2-OD2 3.24Å; Y471-D516 WeakPolarHBondContact CE2-OD2 3.25Å
472A97.1Very high95.6Very high3 Ų353.2 Ų53.23%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-154.2164.5-173.400000113.3Y469 I496 S497 V517Y469-A472 CarbonylContact C-O 3.5Å; Y469-A472 WeakPolarHBondContact CA-O 3.44Å; Y469-A472 WeakPolarHBondContact CB-O 3.26Å; Y469-A472 PolarHBondContact N-O 2.87Å; Y469-A472 PolarHBondContact O-N 3.39Å; A472-I496 HydrophobicContact CB-CG2 4.21Å; A472-S497 CarbonylContact C-O 3.44Å; A472-S497 WeakPolarHBondContact CA-O 3.31Å; A472-V517 HydrophobicContact CB-CG2 3.85Å
473T96.8Very high94.9Very high14 Ų1454.8 Ų54.89%0.08629%0.285CS..EExtended strand (participates in β ladder)trans-116.2149.1164.962.30000110.1Y466 Q467 Q468 I496 S497 R499Y466-T473 HydrophobicContact CE2-CG2 4.25Å; Q467-T473 CarbonylContact O-C 3.58Å; Q467-T473 WeakPolarHBondContact O-CA 3.48Å; Q468-T473 HydrophobicContact CG-CG2 4.27Å; T473-I496 CarbonylContact O-C 3.57Å; T473-I496 VanDerWaalsContact O-CA 3.25Å; T473-I496 WeakPolarHBondContact O-CA 3.18Å; T473-S497 PolarHBondContact N-O 3.07Å; T473-S497 PolarHBondContact O-N 2.99Å; T473-R499 HydrophobicContact CG2-CG 4.43Å
474S97.1Very high93.9Very high4 Ų455.7 Ų55.73%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-115.6125.8174.1-1460000108.9Y466 Q467 N494 M520Y466-S474 WeakPolarHBondContact CA-O 3.26Å; Q467-S474 PolarHBondContact N-O 3.26Å; Q467-S474 PolarHBondContact O-N 3.44Å; S474-N494 VanDerWaalsContact OG-CG 3.23Å; S474-N494 PolarHBondContact OG-ND2 3.44Å; S474-N494 PolarHBondContact OG-OD1 2.96Å; S474-M520 VanDerWaalsContact CB-CE 3.45Å; S474-M520 VanDerWaalsContact OG-CE 3.26Å; S474-M520 WeakPolarHBondContact OG-CE 3.49Å
475H97.4Very high92.5Very high20 Ų2059.1 Ų59.19%0.09331%0.309CS..EExtended strand (participates in β ladder)trans-119.3106.6167.9-63.472.4000109I448 S465 Y466 N494 V495I448-H475 HydrophobicContact CD1-CB 3.53Å; S465-H475 WeakPolarHBondContact O-CA 3.45Å; Y466-H475 AromaticContact CD2-CD2 3.56Å; Y466-H475 AromaticContact CD2-CE1 3.42Å; Y466-H475 VanDerWaalsContact CD2-CE1 3.42Å; Y466-H475 WeakPolarHBondContact CD2-CE1 3.42Å; Y466-H475 AromaticContact CD2-CG 3.93Å; Y466-H475 AromaticContact CD2-ND1 3.83Å; Y466-H475 AromaticContact CD2-NE2 3.22Å; Y466-H475 WeakPolarHBondContact CD2-NE2 3.48Å; Y466-H475 AromaticContact CE2-CE1 3.3Å; Y466-H475 WeakPolarHBondContact CE2-CE1 3.28Å; Y466-H475 AromaticContact CE2-NE2 3.4Å; Y466-H475 WeakPolarHBondContact CE2-NE2 3.33Å; H475-N494 PolarHBondContact N-OD1 3.36Å; H475-N494 WeakPolarHBondContact O-CA 3.41Å; H475-N494 PolarHBondContact O-OD1 2.94Å; H475-V495 HydrophobicContact CB-CB 4.31Å; H475-V495 PolarHBondContact N-O 3.17Å; H475-V495 PolarHBondContact O-N 3.46Å
476I96.5Very high91.2Very high34 Ų3463.2 Ų63.217%0.17432%0.323CS..EExtended strand (participates in β ladder)trans-85.9121.6172-56.8176.3000107.5L464 S465 I492 C493 N494 W524L464-I476 HydrophobicContact CB-CG2 4.38Å; L464-I476 WeakPolarHBondContact CB-O 3.26Å; L464-I476 HydrophobicContact CD1-CG2 4.3Å; L464-I476 PolarHBondContact N-O 2.83Å; S465-I476 PolarHBondContact N-O 2.81Å; S465-I476 PolarHBondContact O-N 3.06Å; I476-I492 HydrophobicContact CG2-CG2 3.95Å; I476-C493 WeakPolarHBondContact CA-O 3.24Å; I476-N494 HydrophobicContact CG1-CB 4.24Å; I476-W524 HydrophobicContact CD1-CH2 4.06Å; I476-W524 HydrophobicContact CD1-CZ3 3.76Å; I476-W524 HydrophobicContact CG1-CH2 4.3Å; I476-W524 HydrophobicContact CG1-CZ3 4.33Å; I476-W524 HydrophobicContact CG2-CH2 4.08Å
477V96.9Very high89.6Confident0 Ų065.1 Ų65.10%034%0.336CS..EExtended strand (participates in β ladder)trans-124146.8-177.4-600000112.3W421 I448 V461 E462 V463 V479 I492 C493W421-V477 HydrophobicContact CH2-CG2 4.05Å; W421-V477 HydrophobicContact CZ3-CG2 4.02Å; I448-V477 HydrophobicContact CD1-CG1 3.54Å; I448-V477 HydrophobicContact CG1-CG1 4.38Å; V461-V477 HydrophobicContact CG1-CB 3.77Å; V461-V477 HydrophobicContact CG1-CG1 3.97Å; V461-V477 HydrophobicContact CG1-CG2 4.13Å; E462-V477 CarbonylContact O-C 3.47Å; E462-V477 WeakPolarHBondContact O-CA 3.38Å; E462-V477 WeakPolarHBondContact O-CB 3.44Å; V463-V477 HydrophobicContact CG2-CG1 4.18Å; V477-V479 HydrophobicContact CG2-CG2 4.11Å; V477-I492 WeakPolarHBondContact O-CA 3.27Å; V477-C493 HydrophobicContact CG2-CB 4.07Å; V477-C493 WeakPolarHBondContact CG2-O 3.32Å; V477-C493 PolarHBondContact N-O 2.82Å; V477-C493 PolarHBondContact O-N 3.22Å
478K94.9Very high88.2Confident44 Ų4467 Ų6719%0.19135%0.353CS..EExtended strand (participates in β ladder)trans-101120.2166.1-176.2-178.9176.7178.90108.2V461 E462 L464 V480 E487 A490 R491V461-K478 CarbonylContact C-O 3.58Å; V461-K478 WeakPolarHBondContact CA-O 3.49Å; E462-K478 HydrophobicContact CB-CB 4.33Å; E462-K478 PolarHBondContact N-O 3.23Å; E462-K478 PolarHBondContact O-N 3.4Å; L464-K478 HydrophobicContact CD1-CB 4.03Å; L464-K478 HydrophobicContact CD2-CB 4.13Å; L464-K478 HydrophobicContact CG-CB 4.1Å; K478-V480 HydrophobicContact CD-CG2 4.39Å; K478-V480 HydrophobicContact CG-CG2 4.07Å; K478-E487 IonicContact NZ-OE1 2.77Å; K478-E487 PolarHBondContact NZ-OE1 3.42Å; K478-A490 HydrophobicContact CD-CB 4.37Å; K478-A490 HydrophobicContact CG-CB 4Å; K478-R491 CarbonylContact C-O 3.56Å; K478-R491 WeakPolarHBondContact CA-O 3.19Å
479V94.6Very high87.4Confident0 Ų064.2 Ų64.20%034%0.342CS..EExtended strand (participates in β ladder)trans-105.1124.1177.4-172.20000108.6W421 F425 F459 V461 V477 A490 R491W421-V479 HydrophobicContact CE3-CG2 3.91Å; W421-V479 HydrophobicContact CZ3-CG2 3.75Å; F425-V479 HydrophobicContact CD2-CG1 4.1Å; F459-V479 HydrophobicContact CB-CG1 4.14Å; F459-V479 HydrophobicContact CD1-CG1 4.15Å; F459-V479 HydrophobicContact CG-CG1 4.34Å; V461-V479 HydrophobicContact CG2-CG1 4.2Å; V461-V479 HydrophobicContact CG2-CG2 4.22Å; V477-V479 HydrophobicContact CG2-CG2 4.11Å; V479-A490 CarbonylContact O-C 3.55Å; V479-A490 WeakPolarHBondContact O-CA 3.43Å; V479-R491 HydrophobicContact CB-CB 4.3Å; V479-R491 PolarHBondContact N-O 2.9Å; V479-R491 PolarHBondContact O-N 3.13Å
480V93.3Very high87Confident39 Ų3960.5 Ų60.524%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-127.8138.2179-177.60000109.4F459 V460 K478 A490F459-V480 CarbonylContact C-O 3.42Å; F459-V480 WeakPolarHBondContact CA-O 3.44Å; V460-V480 PolarHBondContact N-O 3.33Å; V460-V480 PolarHBondContact O-N 2.93Å; K478-V480 HydrophobicContact CD-CG2 4.39Å; K478-V480 HydrophobicContact CG-CG2 4.07Å; V480-A490 HydrophobicContact CG2-CB 3.91Å
481K91.3Very high86.8Confident68 Ų6858.5 Ų58.530%0.29631%0.312SS..EExtended strand (participates in β ladder)trans-77.4132.1172.1-176.2177.1179.8171.20110T381 F425 G483 S484T381-K481 HydrophobicContact CG2-CD 3.81Å; T381-K481 HydrophobicContact CG2-CG 4.35Å; F425-K481 HydrophobicContact CE1-CB 4.41Å; F425-K481 HydrophobicContact CE1-CD 4.48Å; F425-K481 HydrophobicContact CE2-CB 4.32Å; F425-K481 HydrophobicContact CZ-CB 3.92Å; K481-G483 PolarHBondContact O-N 3.47Å; K481-S484 WeakPolarHBondContact O-CB 3.35Å; K481-S484 PolarHBondContact O-N 2.97Å; K481-S484 PolarHBondContact O-OG 3.34Å
482K87.8Confident86.7Confident111 Ų11157.6 Ų57.648%0.48331%0.312SS..THydrogen-bonded Turntrans-58133.1176.2-71.8174.5-179.2171.70109.9G457 P458 V460 S484G457-K482 WeakPolarHBondContact O-CE 3.5Å; G457-K482 PolarHBondContact O-NZ 3.29Å; P458-K482 WeakPolarHBondContact O-CB 3.21Å; P458-K482 VanDerWaalsContact O-CG 3.31Å; P458-K482 WeakPolarHBondContact O-CG 3.23Å; P458-K482 PolarHBondContact O-N 3.39Å; V460-K482 HydrophobicContact CG2-CG 3.82Å; K482-S484 VanDerWaalsContact C-N 3.31Å
483G81.9Confident86.5Confident78 Ų7857.4 Ų57.480%0.80431%0.311SS*.THydrogen-bonded Turntrans83.1-3.4-179.200000115.2K481 I485K481-G483 PolarHBondContact O-N 3.47Å; G483-I485 PolarHBondContact O-N 3.43Å
484S77.7Confident86.5Confident38 Ų3857 Ų5727%0.26631%0.308SS..  trans-65.2119.3168.4-73.70000110K481 K482 H486K481-S484 WeakPolarHBondContact O-CB 3.35Å; K481-S484 PolarHBondContact O-N 2.97Å; K481-S484 PolarHBondContact O-OG 3.34Å; K482-S484 VanDerWaalsContact C-N 3.31Å; S484-H486 VanDerWaalsContact C-N 3.34Å
485I66.5Low86.5Confident158 Ų15856.8 Ų56.881%0.8131%0.307SS*.SBendtrans-75.7-28.1177.2-58.2171.8000110.6G483G483-I485 PolarHBondContact O-N 3.43Å
486H68.4Low86.6Confident126 Ų12655.9 Ų55.958%0.58330%0.302SS*.  trans-98.7121.6-176.7-60.5-64.6000111.5S484 V488 D489S484-H486 VanDerWaalsContact C-N 3.34Å; H486-V488 HydrophobicContact CB-CB 4.35Å; H486-V488 HydrophobicContact CB-CG2 4.46Å; H486-V488 PolarHBondContact O-N 3Å; H486-V488 VanDerWaalsContact O-N 3.12Å; H486-D489 PolarHBondContact O-N 3.49Å
487E64Low86.6Confident146 Ų14655 Ų5568%0.68230%0.299SS*.G310 helixtrans-59.9-17.8169.3-75.9-155116.300113.2K478 D489 A490K478-E487 IonicContact NZ-OE1 2.77Å; K478-E487 PolarHBondContact NZ-OE1 3.42Å; E487-D489 PolarHBondContact O-N 3.01Å; E487-D489 VanDerWaalsContact O-N 3.14Å; E487-A490 VanDerWaalsContact O-CB 3.23Å; E487-A490 WeakPolarHBondContact O-CB 3.12Å; E487-A490 PolarHBondContact O-N 2.89Å
488V67.2Low86.6Confident123 Ų12355.1 Ų55.175%0.74530%0.3SS*.G310 helixtrans-59-22.7177.6-172.90000112.2H486 A490H486-V488 HydrophobicContact CB-CB 4.35Å; H486-V488 HydrophobicContact CB-CG2 4.46Å; H486-V488 PolarHBondContact O-N 3Å; H486-V488 VanDerWaalsContact O-N 3.12Å; V488-A490 VanDerWaalsContact C-N 3.31Å; V488-A490 PolarHBondContact O-N 3Å
489D78.8Confident86.6Confident64 Ų6457.3 Ų57.334%0.34231%0.307SS..G310 helixtrans-85.2-0177.3-68.3-33.6000114.1F425 H486 E487 R491F425-D489 WeakPolarHBondContact CE2-O 3.14Å; H486-D489 PolarHBondContact O-N 3.49Å; E487-D489 PolarHBondContact O-N 3.01Å; E487-D489 VanDerWaalsContact O-N 3.14Å; D489-R491 PolarHBondContact O-NH1 2.79Å; D489-R491 VanDerWaalsContact O-NH1 3.08Å
490A88Confident86.5Confident21 Ų2158.1 Ų58.117%0.17431%0.311CS..  trans-63.3146.3175.500000111.2K478 V479 V480 E487 V488K478-A490 HydrophobicContact CD-CB 4.37Å; K478-A490 HydrophobicContact CG-CB 4Å; V479-A490 CarbonylContact O-C 3.55Å; V479-A490 WeakPolarHBondContact O-CA 3.43Å; V480-A490 HydrophobicContact CG2-CB 3.91Å; E487-A490 VanDerWaalsContact O-CB 3.23Å; E487-A490 WeakPolarHBondContact O-CB 3.12Å; E487-A490 PolarHBondContact O-N 2.89Å; V488-A490 VanDerWaalsContact C-N 3.31Å; V488-A490 PolarHBondContact O-N 3Å
491R89.9Confident86.6Confident54 Ų5456.3 Ų56.320%0.20430%0.3CS..EExtended strand (participates in β ladder)trans-116.8124.5172.8-56.7-67.5179.1-100.6-1.6108.8F425 N428 K478 V479 D489F425-R491 HydrophobicContact CD2-CG 3.65Å; F425-R491 HydrophobicContact CE2-CG 3.91Å; F425-R491 HydrophobicContact CG-CG 4.44Å; N428-R491 VanDerWaalsContact OD1-CD 3.23Å; N428-R491 WeakPolarHBondContact OD1-CD 3.3Å; K478-R491 CarbonylContact C-O 3.56Å; K478-R491 WeakPolarHBondContact CA-O 3.19Å; V479-R491 HydrophobicContact CB-CB 4.3Å; V479-R491 PolarHBondContact N-O 2.9Å; V479-R491 PolarHBondContact O-N 3.13Å; D489-R491 PolarHBondContact O-NH1 2.79Å; D489-R491 VanDerWaalsContact O-NH1 3.08Å
492I93.5Very high86.7Confident64 Ų6453.9 Ų53.933%0.32829%0.291SS..EExtended strand (participates in β ladder)trans-94.6123.3171.8-63.3175.1000108H430 I476 V477 W524 P529H430-I492 WeakPolarHBondContact CB-O 3.5Å; I476-I492 HydrophobicContact CG2-CG2 3.95Å; V477-I492 WeakPolarHBondContact O-CA 3.27Å; I492-W524 HydrophobicContact CG2-CH2 4.23Å; I492-W524 HydrophobicContact CG2-CZ2 4.21Å; I492-P529 HydrophobicContact CB-CG 4.39Å; I492-P529 HydrophobicContact CD1-CG 4.13Å
493C94.8Very high86.7Confident0 Ų049.2 Ų49.20%027%0.274CS..EExtended strand (participates in β ladder)trans-132138.2-178178.10000110.4I424 H430 V432 I476 V477I424-C493 HydrophobicContact CG2-CB 4.23Å; H430-C493 CarbonylContact O-C 3.52Å; H430-C493 VanDerWaalsContact O-CA 3.29Å; H430-C493 WeakPolarHBondContact O-CA 3.39Å; V432-C493 VanDerWaalsContact CG2-SG 3.51Å; I476-C493 WeakPolarHBondContact CA-O 3.24Å; V477-C493 HydrophobicContact CG2-CB 4.07Å; V477-C493 WeakPolarHBondContact CG2-O 3.32Å; V477-C493 PolarHBondContact N-O 2.82Å; V477-C493 PolarHBondContact O-N 3.22Å
494N96.3Very high87.1Confident5 Ų552.4 Ų52.43%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-103.7120.9169.6-17313.1000110.2H430 V432 S474 H475 I476 W524H430-N494 PolarHBondContact O-N 3.4Å; V432-N494 PolarHBondContact N-O 3.29Å; S474-N494 VanDerWaalsContact OG-CG 3.23Å; S474-N494 PolarHBondContact OG-ND2 3.44Å; S474-N494 PolarHBondContact OG-OD1 2.96Å; H475-N494 PolarHBondContact N-OD1 3.36Å; H475-N494 WeakPolarHBondContact O-CA 3.41Å; H475-N494 PolarHBondContact O-OD1 2.94Å; I476-N494 HydrophobicContact CG1-CB 4.24Å; N494-W524 HydrophobicContact CB-CD2 3.58Å; N494-W524 HydrophobicContact CB-CE3 4.26Å; N494-W524 HydrophobicContact CB-CG 3.84Å; N494-W524 HydrophobicContact CB-CH2 4.34Å; N494-W524 HydrophobicContact CB-CZ2 3.69Å; N494-W524 VanDerWaalsContact CB-NE1 3.3Å
495V97.6Very high87.8Confident0 Ų054.1 Ų54.10%027%0.271CS..EExtended strand (participates in β ladder)trans-96.4106173.1-174.60000108.7V432 F447 I448 H475V432-V495 HydrophobicContact CB-CB 4.43Å; V432-V495 HydrophobicContact CB-CG1 4.34Å; V432-V495 HydrophobicContact CB-CG2 4.13Å; V432-V495 HydrophobicContact CG1-CG1 4.16Å; V432-V495 HydrophobicContact CG2-CG2 4.4Å; V432-V495 CarbonylContact O-C 3.54Å; V432-V495 WeakPolarHBondContact O-CA 3.41Å; F447-V495 HydrophobicContact CE2-CG1 3.94Å; F447-V495 HydrophobicContact CZ-CG1 4.27Å; I448-V495 HydrophobicContact CD1-CB 4.18Å; I448-V495 HydrophobicContact CD1-CG2 3.91Å; H475-V495 HydrophobicContact CB-CB 4.31Å; H475-V495 PolarHBondContact N-O 3.17Å; H475-V495 PolarHBondContact O-N 3.46Å
496I97.7Very high89Confident0 Ų052 Ų520%025%0.253CS..EExtended strand (participates in β ladder)trans-96113.3177.2-58.9169.3000108V432 V433 N434 A472 T473 V517 M520 A521V432-I496 PolarHBondContact O-N 3.04Å; V433-I496 CarbonylContact C-O 3.33Å; V433-I496 WeakPolarHBondContact CA-O 3.36Å; N434-I496 PolarHBondContact N-O 2.81Å; A472-I496 HydrophobicContact CB-CG2 4.21Å; T473-I496 CarbonylContact O-C 3.57Å; T473-I496 VanDerWaalsContact O-CA 3.25Å; T473-I496 WeakPolarHBondContact O-CA 3.18Å; I496-V517 HydrophobicContact CG2-CG1 4.16Å; I496-M520 HydrophobicContact CD1-CG 4.07Å; I496-M520 HydrophobicContact CD1-SD 4.44Å; I496-M520 HydrophobicContact CG1-CE 4.29Å; I496-M520 HydrophobicContact CG2-SD 4.06Å; I496-A521 HydrophobicContact CD1-CB 3.94Å
497S96.8Very high90.2Very high16 Ų1648.4 Ų48.411%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-109.8123.4178.5-600000111N434 A472 T473N434-S497 PolarHBondContact ND2-OG 2.94Å; N434-S497 WeakPolarHBondContact O-CA 2.84Å; A472-S497 CarbonylContact C-O 3.44Å; A472-S497 WeakPolarHBondContact CA-O 3.31Å; T473-S497 PolarHBondContact N-O 3.07Å; T473-S497 PolarHBondContact O-N 2.99Å
498V96.5Very high91.7Very high3 Ų341.9 Ų41.92%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-69.4149.6176.5-51.70000110.7N434 L435 I500 W501 V517N434-V498 WeakPolarHBondContact O-CG2 3.32Å; N434-V498 PolarHBondContact O-N 3.45Å; L435-V498 HydrophobicContact CD2-CG1 4.06Å; V498-I500 HydrophobicContact CB-CG1 4.47Å; V498-W501 HydrophobicContact CG2-CB 3.85Å; V498-V517 HydrophobicContact CG1-CB 4.43Å; V498-V517 HydrophobicContact CG1-CG1 3.85Å; V498-V517 HydrophobicContact CG1-CG2 3.92Å
499R95Very high93Very high90 Ų9041.5 Ų41.534%0.3420%0.203SC..SBendtrans-114-1.8175-57.9-162.9-60.1174.35.7113.7N437 Q468 Y469 P470 Y471 T473N437-R499 PolarHBondContact ND2-O 3.48Å; Q468-R499 VanDerWaalsContact CG-NH1 3.27Å; Y469-R499 VanDerWaalsContact O-CZ 3.29Å; Y469-R499 PolarHBondContact O-NE 2.98Å; Y469-R499 PolarHBondContact O-NH2 3.34Å; P470-R499 PolarHBondContact O-NE 3.45Å; P470-R499 PolarHBondContact O-NH2 3.41Å; Y471-R499 PolarHBondContact O-N 3.22Å; T473-R499 HydrophobicContact CG2-CG 4.43Å
500I94.2Very high93.9Very high17 Ų1739.9 Ų39.99%0.08720%0.197CC..SBendtrans-110.67.6-169.458162000113.4Y471 V498 P508 L509 S510 L514Y471-I500 HydrophobicContact CD1-CG2 3.63Å; Y471-I500 HydrophobicContact CG-CG2 4.21Å; V498-I500 HydrophobicContact CB-CG1 4.47Å; I500-P508 HydrophobicContact CD1-CB 4.36Å; I500-L509 WeakPolarHBondContact O-CB 3.25Å; I500-L509 WeakPolarHBondContact O-CG 3.39Å; I500-L509 PolarHBondContact O-N 2.84Å; I500-S510 WeakPolarHBondContact CD1-O 3.19Å; I500-L514 HydrophobicContact CD1-CB 4.33Å; I500-L514 VanDerWaalsContact CD1-N 3.33Å
501W95.2Very high94.3Very high0 Ų040.5 Ų40.50%020%0.199CC..  trans-131.577.4-174.2-154.6-16.9000111.8L435 N437 V498 H505 R506 V507 P508 L514 R547 I550L435-W501 HydrophobicContact CB-CE3 4.49Å; N437-W501 PolarHBondContact N-O 2.98Å; N437-W501 PolarHBondContact OD1-N 3.41Å; N437-W501 PolarHBondContact OD1-O 2.74Å; V498-W501 HydrophobicContact CG2-CB 3.85Å; W501-H505 PolarHBondContact NE1-O 3.27Å; W501-R506 WeakPolarHBondContact CZ2-O 3.36Å; W501-R506 PolarHBondContact NE1-O 3.13Å; W501-V507 VanDerWaalsContact NE1-C 3.34Å; W501-P508 HydrophobicContact CB-CB 4.2Å; W501-P508 HydrophobicContact CD2-CB 3.76Å; W501-P508 HydrophobicContact CD2-CG 4.36Å; W501-P508 HydrophobicContact CE3-CB 3.99Å; W501-P508 HydrophobicContact CE3-CG 4.37Å; W501-P508 HydrophobicContact CG-CB 3.89Å; W501-L514 HydrophobicContact CE3-CD1 4.28Å; W501-L514 HydrophobicContact CH2-CD2 4.4Å; W501-L514 HydrophobicContact CZ3-CD1 4.04Å; W501-L514 HydrophobicContact CZ3-CD2 3.85Å; W501-R547 HydrophobicContact CD2-CB 4.41Å; W501-R547 HydrophobicContact CD2-CG 4.14Å; W501-R547 HydrophobicContact CE3-CB 4.43Å; W501-R547 HydrophobicContact CH2-CB 3.81Å; W501-R547 HydrophobicContact CH2-CG 4.15Å; W501-R547 HydrophobicContact CZ2-CB 3.76Å; W501-R547 HydrophobicContact CZ2-CG 3.56Å; W501-R547 HydrophobicContact CZ3-CB 4.15Å; W501-R547 VanDerWaalsContact NE1-NE 3.13Å; W501-I550 HydrophobicContact CH2-CB 4.09Å; W501-I550 HydrophobicContact CH2-CD1 3.77Å; W501-I550 HydrophobicContact CH2-CG2 4.1Å; W501-I550 HydrophobicContact CZ2-CD1 3.81Å
502P92.2Very high94.6Very high17 Ų1740.4 Ų40.411%0.1121%0.206CC..BIsolated β-bridgetrans-62.5151.8-178.6-20.231.9000112N437 Q504 H505 L509 R547N437-P502 WeakPolarHBondContact OD1-CA 3.4Å; N437-P502 VanDerWaalsContact OD1-N 3.08Å; P502-Q504 PolarHBondContact O-N 3.4Å; P502-Q504 VanDerWaalsContact O-N 3.1Å; P502-H505 WeakPolarHBondContact CG-ND1 3.1Å; P502-H505 PolarHBondContact O-N 2.54Å; P502-L509 HydrophobicContact CG-CD1 3.87Å; P502-L509 HydrophobicContact CG-CG 4.32Å; P502-R547 PolarHBondContact O-NH2 3.33Å
503A89.1Confident94.8Very high14 Ų1437.3 Ų37.312%0.11619%0.191CC..THydrogen-bonded Turntrans-60.1-23.7-174.200000115T436 D438 R547T436-A503 HydrophobicContact CG2-CB 3.77Å; D438-A503 HydrophobicContact CB-CB 4.41Å; D438-A503 WeakPolarHBondContact OD2-CB 3.19Å; A503-R547 PolarHBondContact O-NH2 3.45Å
504Q89.6Confident94.9Very high144 Ų14437.3 Ų37.367%0.67319%0.191SC*.THydrogen-bonded Turntrans-84.6-14.5178.668.3-83.925.400114.3P502P502-Q504 PolarHBondContact O-N 3.4Å; P502-Q504 VanDerWaalsContact O-N 3.1Å
505H92.2Very high95Very high75 Ų7537.3 Ų37.335%0.34719%0.19SC..  trans-96.5132.5-176.4-64.899.6000111.8W501 P502 V507 R547W501-H505 PolarHBondContact NE1-O 3.27Å; P502-H505 WeakPolarHBondContact CG-ND1 3.1Å; P502-H505 PolarHBondContact O-N 2.54Å; H505-V507 WeakPolarHBondContact CB-O 3.49Å; H505-R547 PolarHBondContact O-NE 3.44Å; H505-R547 PolarHBondContact O-NH2 3.38Å
506R91.1Very high94.9Very high112 Ų11241.1 Ų41.142%0.42321%0.211SC..SBendtrans-69.8-36.8175.3-66.3-173.1-176.2-80.50.4112.6W501 E589W501-R506 WeakPolarHBondContact CZ2-O 3.36Å; W501-R506 PolarHBondContact NE1-O 3.13Å; R506-E589 IonicContact NH1-OE1 2.7Å
507V94.4Very high94.9Very high51 Ų5141.2 Ų41.231%0.30921%0.212SC..SBendtrans-117152.7177.9-59.90000109.8W501 H505 Y592W501-V507 VanDerWaalsContact NE1-C 3.34Å; H505-V507 WeakPolarHBondContact CB-O 3.49Å; V507-Y592 HydrophobicContact CB-CD1 4.35Å; V507-Y592 HydrophobicContact CB-CD2 3.93Å; V507-Y592 HydrophobicContact CB-CE2 4.24Å; V507-Y592 HydrophobicContact CB-CG 4Å; V507-Y592 HydrophobicContact CG1-CD1 4.04Å; V507-Y592 HydrophobicContact CG1-CD2 3.8Å; V507-Y592 HydrophobicContact CG1-CG 3.49Å; V507-Y592 VanDerWaalsContact CG1-CG 3.49Å
508P95.4Very high95Very high9 Ų940.5 Ų40.56%0.05821%0.206CC..  trans-68158.1179.931.9-38.2000111.3I500 W501 S510 L514 Y592I500-P508 HydrophobicContact CD1-CB 4.36Å; W501-P508 HydrophobicContact CB-CB 4.2Å; W501-P508 HydrophobicContact CD2-CB 3.76Å; W501-P508 HydrophobicContact CD2-CG 4.36Å; W501-P508 HydrophobicContact CE3-CB 3.99Å; W501-P508 HydrophobicContact CE3-CG 4.37Å; W501-P508 HydrophobicContact CG-CB 3.89Å; P508-S510 PolarHBondContact O-N 2.93Å; P508-L514 HydrophobicContact CG-CB 4.28Å; P508-L514 HydrophobicContact CG-CD2 4Å; P508-Y592 VanDerWaalsContact CD-CE1 3.49Å; P508-Y592 VanDerWaalsContact CD-CZ 3.45Å; P508-Y592 HydrophobicContact CG-CE1 3.92Å; P508-Y592 HydrophobicContact CG-CE2 4.4Å; P508-Y592 WeakPolarHBondContact CG-OH 3.14Å
509L95.5Very high94.9Very high115 Ų11543.9 Ų43.960%0.60222%0.221SC*.SBendtrans-68.2-19.6177.2-61175.1000113I500 P502I500-L509 WeakPolarHBondContact O-CB 3.25Å; I500-L509 WeakPolarHBondContact O-CG 3.39Å; I500-L509 PolarHBondContact O-N 2.84Å; P502-L509 HydrophobicContact CG-CD1 3.87Å; P502-L509 HydrophobicContact CG-CG 4.32Å
510S96.3Very high95Very high31 Ų3141.2 Ų41.222%0.21721%0.213CC..  trans-143.7118.6179.9176.30000111.3I500 P508 G513 L514I500-S510 WeakPolarHBondContact CD1-O 3.19Å; P508-S510 PolarHBondContact O-N 2.93Å; S510-G513 PolarHBondContact OG-N 2.86Å; S510-L514 PolarHBondContact O-N 3.3Å; S510-L514 VanDerWaalsContact O-N 3.16Å
511T96.7Very high95.1Very high34 Ų3440.5 Ų40.521%0.20921%0.209CC..Hα-helixtrans-66.4-45.3174.2-54.90000111.3G513 L514 I515 Y592 L596 H599T511-G513 VanDerWaalsContact C-N 3.29Å; T511-G513 PolarHBondContact O-N 3.01Å; T511-L514 PolarHBondContact O-N 2.89Å; T511-L514 VanDerWaalsContact O-N 3.11Å; T511-I515 HydrophobicContact CG2-CD1 4.29Å; T511-I515 WeakPolarHBondContact O-CG1 3.43Å; T511-I515 PolarHBondContact O-N 2.81Å; T511-Y592 PolarHBondContact OG1-OH 3.01Å; T511-L596 HydrophobicContact CG2-CD1 3.63Å; T511-H599 HydrophobicContact CG2-CB 3.81Å; T511-H599 WeakPolarHBondContact CG2-ND1 3.22Å
512S96.7Very high95Very high51 Ų5141.6 Ų41.636%0.35721%0.213SC..Hα-helixtrans-61.5-39.3177.6-46.90000111.5L514 I515 D516 H599S512-L514 VanDerWaalsContact C-N 3.33Å; S512-L514 PolarHBondContact O-N 2.91Å; S512-I515 WeakPolarHBondContact O-CB 3.36Å; S512-I515 PolarHBondContact O-N 2.78Å; S512-D516 PolarHBondContact O-N 2.9Å; S512-H599 PolarHBondContact OG-CE1 2.8Å; S512-H599 PolarHBondContact OG-NE2 2.91Å; S512-H599 VanDerWaalsContact OG-NE2 3.1Å
513G96.9Very high95Very high0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-66.7-32.4175.900000113.6Y471 S510 T511 V517Y471-G513 VanDerWaalsContact CG-CA 3.46Å; S510-G513 PolarHBondContact OG-N 2.86Å; T511-G513 VanDerWaalsContact C-N 3.29Å; T511-G513 PolarHBondContact O-N 3.01Å; G513-V517 WeakPolarHBondContact O-CG2 3.43Å; G513-V517 PolarHBondContact O-N 3.46Å
514L97.8Very high95.2Very high0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-69.9-38.5172-178.462.2000111.2I500 W501 P508 S510 T511 S512 D516 V517 I518 F551 Y592 L596I500-L514 HydrophobicContact CD1-CB 4.33Å; I500-L514 VanDerWaalsContact CD1-N 3.33Å; W501-L514 HydrophobicContact CE3-CD1 4.28Å; W501-L514 HydrophobicContact CH2-CD2 4.4Å; W501-L514 HydrophobicContact CZ3-CD1 4.04Å; W501-L514 HydrophobicContact CZ3-CD2 3.85Å; P508-L514 HydrophobicContact CG-CB 4.28Å; P508-L514 HydrophobicContact CG-CD2 4Å; S510-L514 PolarHBondContact O-N 3.3Å; S510-L514 VanDerWaalsContact O-N 3.16Å; T511-L514 PolarHBondContact O-N 2.89Å; T511-L514 VanDerWaalsContact O-N 3.11Å; S512-L514 VanDerWaalsContact C-N 3.33Å; S512-L514 PolarHBondContact O-N 2.91Å; L514-D516 VanDerWaalsContact C-N 3.32Å; L514-D516 PolarHBondContact O-N 3.32Å; L514-V517 WeakPolarHBondContact O-CB 3.04Å; L514-V517 PolarHBondContact O-N 2.93Å; L514-I518 HydrophobicContact CG-CD1 4.07Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.48Å; L514-I518 PolarHBondContact O-N 3.43Å; L514-F551 HydrophobicContact CD1-CD2 4.26Å; L514-Y592 HydrophobicContact CD2-CE1 4.14Å; L514-L596 HydrophobicContact CD2-CD1 4.24Å; L514-L596 HydrophobicContact CD2-CD2 3.73Å
515I97.5Very high95.3Very high4 Ų440.5 Ų40.52%0.02120%0.204CC..Hα-helixtrans-59.1-43.7174-69168.8000110.7T511 S512 V517 I518 K519 L596 H599 Y600T511-I515 HydrophobicContact CG2-CD1 4.29Å; T511-I515 WeakPolarHBondContact O-CG1 3.43Å; T511-I515 PolarHBondContact O-N 2.81Å; S512-I515 WeakPolarHBondContact O-CB 3.36Å; S512-I515 PolarHBondContact O-N 2.78Å; I515-V517 VanDerWaalsContact C-N 3.33Å; I515-V517 PolarHBondContact O-N 3.42Å; I515-I518 WeakPolarHBondContact O-CB 3.38Å; I515-I518 PolarHBondContact O-N 2.9Å; I515-K519 HydrophobicContact CG2-CD 4.06Å; I515-K519 HydrophobicContact CG2-CG 4.4Å; I515-K519 WeakPolarHBondContact O-CG 3.34Å; I515-K519 PolarHBondContact O-N 3.42Å; I515-L596 HydrophobicContact CD1-CD1 4.32Å; I515-L596 HydrophobicContact CG1-CD1 3.82Å; I515-H599 HydrophobicContact CD1-CB 4.05Å; I515-H599 WeakPolarHBondContact CD1-CD2 3.36Å; I515-Y600 HydrophobicContact CG1-CD2 4.21Å; I515-Y600 HydrophobicContact CG2-CD2 3.84Å; I515-Y600 HydrophobicContact CG2-CE2 4.2Å
516D96.5Very high95.2Very high80 Ų8044.1 Ų44.143%0.42822%0.218SC..Hα-helixtrans-60.6-42176.1-74.3-10.3000112Y471 S512 L514 K519 M520Y471-D516 HydrophobicContact CD2-CB 4.17Å; Y471-D516 WeakPolarHBondContact CD2-OD2 3.5Å; Y471-D516 VanDerWaalsContact CE2-OD2 3.24Å; Y471-D516 WeakPolarHBondContact CE2-OD2 3.25Å; S512-D516 PolarHBondContact O-N 2.9Å; L514-D516 VanDerWaalsContact C-N 3.32Å; L514-D516 PolarHBondContact O-N 3.32Å; D516-K519 PolarHBondContact O-N 2.91Å; D516-M520 VanDerWaalsContact O-CB 3.25Å; D516-M520 WeakPolarHBondContact O-CB 3.36Å; D516-M520 PolarHBondContact O-N 3.36Å
517V97.7Very high95.1Very high3 Ų347.6 Ų47.62%0.01823%0.231CC..Hα-helixtrans-61.4-44.6174.2172.80000111.2V433 A472 I496 V498 G513 L514 I515 M520 A521 F551V433-V517 HydrophobicContact CG1-CG1 4.16Å; A472-V517 HydrophobicContact CB-CG2 3.85Å; I496-V517 HydrophobicContact CG2-CG1 4.16Å; V498-V517 HydrophobicContact CG1-CB 4.43Å; V498-V517 HydrophobicContact CG1-CG1 3.85Å; V498-V517 HydrophobicContact CG1-CG2 3.92Å; G513-V517 WeakPolarHBondContact O-CG2 3.43Å; G513-V517 PolarHBondContact O-N 3.46Å; L514-V517 WeakPolarHBondContact O-CB 3.04Å; L514-V517 PolarHBondContact O-N 2.93Å; I515-V517 VanDerWaalsContact C-N 3.33Å; I515-V517 PolarHBondContact O-N 3.42Å; V517-M520 PolarHBondContact O-N 3.39Å; V517-A521 WeakPolarHBondContact O-CB 3.3Å; V517-A521 PolarHBondContact O-N 3.31Å; V517-F551 HydrophobicContact CG1-CE2 4.23Å
518I97.6Very high94.6Very high0 Ų045.4 Ų45.40%022%0.219CC..Hα-helixtrans-61-48177.8-68.3160.6000109.9L514 I515 M520 A521 R522 F551 I554 I558 L596L514-I518 HydrophobicContact CG-CD1 4.07Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.48Å; L514-I518 PolarHBondContact O-N 3.43Å; I515-I518 WeakPolarHBondContact O-CB 3.38Å; I515-I518 PolarHBondContact O-N 2.9Å; I518-M520 VanDerWaalsContact C-N 3.35Å; I518-M520 PolarHBondContact O-N 3.35Å; I518-A521 PolarHBondContact O-N 2.78Å; I518-R522 HydrophobicContact CG2-CG 4.39Å; I518-R522 WeakPolarHBondContact O-CB 3.41Å; I518-R522 WeakPolarHBondContact O-CG 3.42Å; I518-R522 PolarHBondContact O-N 3.05Å; I518-F551 HydrophobicContact CB-CE2 4.47Å; I518-F551 HydrophobicContact CG1-CD2 3.95Å; I518-F551 HydrophobicContact CG1-CE2 3.56Å; I518-F551 HydrophobicContact CG1-CZ 4.41Å; I518-I554 HydrophobicContact CD1-CG1 4.19Å; I518-I554 HydrophobicContact CD1-CG2 3.58Å; I518-I554 HydrophobicContact CG1-CG2 4.35Å; I518-I558 HydrophobicContact CG2-CD1 3.68Å; I518-L596 HydrophobicContact CD1-CD2 4.44Å
519K96Very high93.7Very high74 Ų7447.7 Ų47.732%0.32223%0.234SC..Hα-helixtrans-60.6-43.8177.2-72.5179.5176.9-178.90111.1I515 D516 R522 L523 Y600I515-K519 HydrophobicContact CG2-CD 4.06Å; I515-K519 HydrophobicContact CG2-CG 4.4Å; I515-K519 WeakPolarHBondContact O-CG 3.34Å; I515-K519 PolarHBondContact O-N 3.42Å; D516-K519 PolarHBondContact O-N 2.91Å; K519-R522 PolarHBondContact O-N 3.5Å; K519-L523 VanDerWaalsContact O-CB 3.25Å; K519-L523 WeakPolarHBondContact O-CB 3.33Å; K519-L523 PolarHBondContact O-N 3.28Å; K519-Y600 HydrophobicContact CG-CE2 4.37Å
520M96.1Very high92.6Very high34 Ų3448.2 Ų48.217%0.16724%0.237CC..Hα-helixtrans-61.3-46.7176.4-176.6-177-178.200112.4Y469 S474 I496 D516 V517 I518 L523 W524Y469-M520 HydrophobicContact CD2-CE 3.66Å; Y469-M520 HydrophobicContact CD2-SD 4.18Å; Y469-M520 HydrophobicContact CE2-CE 3.33Å; Y469-M520 HydrophobicContact CE2-SD 4.3Å; S474-M520 VanDerWaalsContact CB-CE 3.45Å; S474-M520 VanDerWaalsContact OG-CE 3.26Å; S474-M520 WeakPolarHBondContact OG-CE 3.49Å; I496-M520 HydrophobicContact CD1-CG 4.07Å; I496-M520 HydrophobicContact CD1-SD 4.44Å; I496-M520 HydrophobicContact CG1-CE 4.29Å; I496-M520 HydrophobicContact CG2-SD 4.06Å; D516-M520 VanDerWaalsContact O-CB 3.25Å; D516-M520 WeakPolarHBondContact O-CB 3.36Å; D516-M520 PolarHBondContact O-N 3.36Å; V517-M520 PolarHBondContact O-N 3.39Å; I518-M520 VanDerWaalsContact C-N 3.35Å; I518-M520 PolarHBondContact O-N 3.35Å; M520-L523 PolarHBondContact O-N 2.68Å; M520-W524 PolarHBondContact O-N 2.61Å
521A95.8Very high91.2Very high2 Ų257.1 Ų57.12%0.01727%0.266CS..Hα-helixtrans-63.6-48.2176.900000111.3V433 I496 V517 I518 L523 W524 R525 F551V433-A521 HydrophobicContact CG2-CB 3.92Å; I496-A521 HydrophobicContact CD1-CB 3.94Å; V517-A521 WeakPolarHBondContact O-CB 3.3Å; V517-A521 PolarHBondContact O-N 3.31Å; I518-A521 PolarHBondContact O-N 2.78Å; A521-L523 VanDerWaalsContact C-N 3.32Å; A521-L523 PolarHBondContact O-N 3.32Å; A521-W524 PolarHBondContact O-N 3.41Å; A521-R525 VanDerWaalsContact O-CG 3.31Å; A521-R525 WeakPolarHBondContact O-CG 3.36Å; A521-R525 PolarHBondContact O-N 3.19Å; A521-F551 HydrophobicContact CB-CZ 4.22Å
522R94.1Very high89.8Confident23 Ų2356.4 Ų56.49%0.08726%0.262CS..Hα-helixtrans-58.8-41.1176-71.5177.674.976.5-2.6112.1I518 K519 R525 K526 N555 D559 D562I518-R522 HydrophobicContact CG2-CG 4.39Å; I518-R522 WeakPolarHBondContact O-CB 3.41Å; I518-R522 WeakPolarHBondContact O-CG 3.42Å; I518-R522 PolarHBondContact O-N 3.05Å; K519-R522 PolarHBondContact O-N 3.5Å; R522-R525 PolarHBondContact O-N 3.04Å; R522-K526 PolarHBondContact O-N 2.86Å; R522-K526 VanDerWaalsContact O-N 3.15Å; R522-N555 WeakPolarHBondContact CG-OD1 3.44Å; R522-D559 IonicContact CZ-OD1 2.82Å; R522-D559 IonicContact CZ-OD2 3.66Å; R522-D559 IonicContact NH1-OD1 3.93Å; R522-D559 IonicContact NH1-OD2 3.52Å; R522-D559 PolarHBondContact NH1-OD2 3.22Å; R522-D559 IonicContact NH2-OD1 3.94Å; R522-D559 PolarHBondContact NH2-OD1 3.1Å; R522-D559 IonicContact NH2-OD2 3.77Å; R522-D562 IonicContact NH2-OD2 2.86Å; R522-D562 PolarHBondContact NH2-OD2 3.34Å
523L93.2Very high88.5Confident82 Ų8260.2 Ų60.243%0.42928%0.278SS..Hα-helixtrans-65.4-45.2177.4-177.763.9000111.9K519 M520 A521 R525 K526 R527K519-L523 VanDerWaalsContact O-CB 3.25Å; K519-L523 WeakPolarHBondContact O-CB 3.33Å; K519-L523 PolarHBondContact O-N 3.28Å; M520-L523 PolarHBondContact O-N 2.68Å; A521-L523 VanDerWaalsContact C-N 3.32Å; A521-L523 PolarHBondContact O-N 3.32Å; L523-R525 VanDerWaalsContact C-N 3.34Å; L523-K526 PolarHBondContact O-N 3.21Å; L523-R527 WeakPolarHBondContact O-CG 3.46Å; L523-R527 PolarHBondContact O-N 2.89Å
524W93.3Very high87.8Confident40 Ų4064.9 Ų64.915%0.15231%0.307CS..Hα-helixtrans-62.3-43.4175.7173.8-100.7000111H430 I476 I492 N494 M520 A521 K526 R527 A528H430-W524 AromaticContact ND1-NE1 3.86Å; H430-W524 PolarHBondContact O-NE1 2.89Å; I476-W524 HydrophobicContact CD1-CH2 4.06Å; I476-W524 HydrophobicContact CD1-CZ3 3.76Å; I476-W524 HydrophobicContact CG1-CH2 4.3Å; I476-W524 HydrophobicContact CG1-CZ3 4.33Å; I476-W524 HydrophobicContact CG2-CH2 4.08Å; I492-W524 HydrophobicContact CG2-CH2 4.23Å; I492-W524 HydrophobicContact CG2-CZ2 4.21Å; N494-W524 HydrophobicContact CB-CD2 3.58Å; N494-W524 HydrophobicContact CB-CE3 4.26Å; N494-W524 HydrophobicContact CB-CG 3.84Å; N494-W524 HydrophobicContact CB-CH2 4.34Å; N494-W524 HydrophobicContact CB-CZ2 3.69Å; N494-W524 VanDerWaalsContact CB-NE1 3.3Å; M520-W524 PolarHBondContact O-N 2.61Å; A521-W524 PolarHBondContact O-N 3.41Å; W524-K526 VanDerWaalsContact C-N 3.33Å; W524-K526 PolarHBondContact O-N 3.14Å; W524-R527 CarbonylContact O-C 3.5Å; W524-R527 PolarHBondContact O-N 3.46Å; W524-A528 HydrophobicContact CZ2-CB 4.34Å; W524-A528 PolarHBondContact O-N 3.42Å
525R91.7Very high87.4Confident30 Ų3066 Ų6611%0.11331%0.312CS..Hα-helixtrans-51.7-53.5175-69-169-59.2162.9-0110.1E405 W406 T431 A521 R522 L523 R527 A528 P532 T537E405-R525 IonicContact OE1-CZ 3.04Å; E405-R525 IonicContact OE1-NH1 3.63Å; E405-R525 PolarHBondContact OE1-NH1 3.26Å; W406-R525 VanDerWaalsContact CH2-NH1 3.3Å; T431-R525 HydrophobicContact CG2-CG 4.23Å; T431-R525 WeakPolarHBondContact OG1-CG 3.37Å; A521-R525 VanDerWaalsContact O-CG 3.31Å; A521-R525 WeakPolarHBondContact O-CG 3.36Å; A521-R525 PolarHBondContact O-N 3.19Å; R522-R525 PolarHBondContact O-N 3.04Å; L523-R525 VanDerWaalsContact C-N 3.34Å; R525-R527 PolarHBondContact O-N 2.79Å; R525-R527 VanDerWaalsContact O-N 3.11Å; R525-A528 PolarHBondContact O-N 2.88Å; R525-P532 WeakPolarHBondContact O-CB 3.11Å; R525-P532 WeakPolarHBondContact O-CG 3.31Å; R525-T537 WeakPolarHBondContact CD-OG1 3.35Å
526K89.5Confident87.3Confident152 Ų15266.4 Ų66.466%0.66132%0.315SS*.Hα-helixtrans-60.4-25179.4-68.7-179.7179.4-177.40115.2R522 L523 W524R522-K526 PolarHBondContact O-N 2.86Å; R522-K526 VanDerWaalsContact O-N 3.15Å; L523-K526 PolarHBondContact O-N 3.21Å; W524-K526 VanDerWaalsContact C-N 3.33Å; W524-K526 PolarHBondContact O-N 3.14Å
527R88.4Confident87.3Confident184 Ų18462.6 Ų62.669%0.69430%0.295SS*.Hα-helixtrans-102.5-9.2-175.1-68.7-179.5176.4179.6-0.2114.1L523 W524 R525L523-R527 WeakPolarHBondContact O-CG 3.46Å; L523-R527 PolarHBondContact O-N 2.89Å; W524-R527 CarbonylContact O-C 3.5Å; W524-R527 PolarHBondContact O-N 3.46Å; R525-R527 PolarHBondContact O-N 2.79Å; R525-R527 VanDerWaalsContact O-N 3.11Å
528A84.5Confident87.3Confident6 Ų662.5 Ų62.55%0.0529%0.294CS..SBendtrans-64.7147.1-173.900000111.5H430 W524 R525 P532H430-A528 HydrophobicContact CB-CB 3.99Å; H430-A528 WeakPolarHBondContact ND1-CB 3.48Å; W524-A528 HydrophobicContact CZ2-CB 4.34Å; W524-A528 PolarHBondContact O-N 3.42Å; R525-A528 PolarHBondContact O-N 2.88Å; A528-P532 HydrophobicContact CB-CB 4.24Å
529P76.3Confident87.3Confident56 Ų5662.5 Ų62.536%0.36429%0.294SS..SBendtrans-59.4147.2177-24.134.4000113.5I492 K535I492-P529 HydrophobicContact CB-CG 4.39Å; I492-P529 HydrophobicContact CD1-CG 4.13Å; P529-K535 PolarHBondContact O-NZ 3.14Å; P529-K535 VanDerWaalsContact O-NZ 3.16Å
530D72.1Confident87.4Confident127 Ų12759 Ų5968%0.67928%0.279SS*.SBendtrans59.181.5176.5-54.9-40.9000116K535D530-K535 WeakPolarHBondContact O-CE 3.47Å; D530-K535 PolarHBondContact O-NZ 2.93Å
531R66.8Low87.4Confident217 Ų21757.3 Ų57.382%0.81927%0.271SS*.  trans42.675.6170.9-66.6-168.9-176.9-176.62113.6D533 T534R531-D533 VanDerWaalsContact C-N 3.26Å; R531-D533 PolarHBondContact O-N 3.03Å; R531-T534 PolarHBondContact O-OG1 2.68Å
532P67.1Low87.3Confident20 Ų2058.5 Ų58.513%0.1328%0.276CS..G310 helixtrans-65.2-24.7-168.423.5-34000115.8H430 R525 A528 T534 K535H430-P532 PolarHBondContact NE2-O 2.82Å; R525-P532 WeakPolarHBondContact O-CB 3.11Å; R525-P532 WeakPolarHBondContact O-CG 3.31Å; A528-P532 HydrophobicContact CB-CB 4.24Å; P532-T534 PolarHBondContact O-N 3.49Å; P532-T534 VanDerWaalsContact O-N 3.17Å; P532-K535 PolarHBondContact O-N 3.36Å
533D70.1Confident87.3Confident130 Ų13059.7 Ų59.770%0.69528%0.284SS*.G310 helixtrans-67.8-18.7-167.9-55.7-34.1000113.6R402 R531R402-D533 PolarHBondContact NE-O 2.9Å; R531-D533 VanDerWaalsContact C-N 3.26Å; R531-D533 PolarHBondContact O-N 3.03Å
534T80.7Confident87.4Confident99 Ų9955.8 Ų55.861%0.60726%0.263SS*.G310 helixtrans-96.3-9.7-179.361.30000113.8R402 R531 P532R402-T534 PolarHBondContact NH2-O 2.94Å; R531-T534 PolarHBondContact O-OG1 2.68Å; P532-T534 PolarHBondContact O-N 3.49Å; P532-T534 VanDerWaalsContact O-N 3.17Å
535K90.2Very high87.5Confident22 Ų2254.3 Ų54.310%0.09626%0.259CS..SBendtrans-96.8139.3-171.6-65.5173.3179.7-175.20111.7R402 N428 H430 P529 D530 P532R402-K535 PolarHBondContact NH2-O 3.28Å; N428-K535 VanDerWaalsContact ND2-CE 3.27Å; N428-K535 WeakPolarHBondContact ND2-CE 3.42Å; N428-K535 WeakPolarHBondContact O-CD 3.47Å; H430-K535 VanDerWaalsContact CD2-CB 3.42Å; H430-K535 WeakPolarHBondContact CD2-CB 3.3Å; H430-K535 VanDerWaalsContact CD2-CD 3.47Å; H430-K535 WeakPolarHBondContact CD2-CD 3.44Å; P529-K535 PolarHBondContact O-NZ 3.14Å; P529-K535 VanDerWaalsContact O-NZ 3.16Å; D530-K535 WeakPolarHBondContact O-CE 3.47Å; D530-K535 PolarHBondContact O-NZ 2.93Å; P532-K535 PolarHBondContact O-N 3.36Å
536P95.2Very high87.6Confident13 Ų1353.4 Ų53.48%0.08426%0.257CS..PPolyproline II helixtrans-71.7150.8-17727.7-32.3000113E405 I407 H427E405-P536 WeakPolarHBondContact O-CA 3.45Å; I407-P536 HydrophobicContact CD1-CB 3.81Å; I407-P536 HydrophobicContact CD1-CG 3.7Å; I407-P536 HydrophobicContact CG1-CB 3.94Å; I407-P536 HydrophobicContact CG1-CG 4.38Å; H427-P536 HydrophobicContact CB-CG 4.3Å; H427-P536 WeakPolarHBondContact O-CD 3.41Å
537T96.4Very high87.9Confident1 Ų146.5 Ų46.51%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-100.6125.4171.4-61.60000110E405 W406 I407 T431 V433 R525 V539E405-T537 PolarHBondContact O-N 3.33Å; W406-T537 WeakPolarHBondContact CA-O 3.49Å; W406-T537 HydrophobicContact CE3-CG2 4.02Å; W406-T537 HydrophobicContact CZ3-CG2 3.8Å; I407-T537 PolarHBondContact N-O 3.2Å; T431-T537 HydrophobicContact CG2-CG2 3.77Å; V433-T537 HydrophobicContact CG2-CG2 4.39Å; R525-T537 WeakPolarHBondContact CD-OG1 3.35Å; T537-V539 HydrophobicContact CG2-CG2 4.45Å
538V98.3Very high88.3Confident0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-84.2128.4177.4-176.90000109.1I407 T409 F420 L423 C429 T431 V432 V433 I540I407-V538 HydrophobicContact CB-CG2 4.32Å; I407-V538 CarbonylContact O-C 3.5Å; I407-V538 VanDerWaalsContact O-CA 3.27Å; I407-V538 WeakPolarHBondContact O-CA 3.47Å; T409-V538 HydrophobicContact CG2-CG1 3.79Å; F420-V538 HydrophobicContact CE2-CG1 4.44Å; L423-V538 HydrophobicContact CD2-CG1 4.39Å; C429-V538 HydrophobicContact CB-CG2 3.78Å; C429-V538 WeakPolarHBondContact SG-CG2 3.27Å; T431-V538 PolarHBondContact O-N 3.17Å; V432-V538 CarbonylContact C-O 3.54Å; V432-V538 VanDerWaalsContact CA-O 3.3Å; V432-V538 WeakPolarHBondContact CA-O 3.4Å; V432-V538 HydrophobicContact CB-CB 4.46Å; V432-V538 HydrophobicContact CG1-CB 4.38Å; V432-V538 HydrophobicContact CG1-CG1 4.45Å; V432-V538 HydrophobicContact CG2-CB 4.03Å; V432-V538 HydrophobicContact CG2-CG2 4.42Å; V433-V538 PolarHBondContact N-O 2.86Å; V538-I540 HydrophobicContact CG1-CG1 4Å
539V98.5Very high88.9Confident0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-118.1122.5176.5-172.70000108.4W406 I407 V408 T409 V433 L435 T537 C548 F551 V552W406-V539 HydrophobicContact CE3-CG2 3.91Å; W406-V539 HydrophobicContact CZ3-CG2 4.4Å; I407-V539 PolarHBondContact O-N 2.73Å; V408-V539 WeakPolarHBondContact CA-O 3.23Å; V408-V539 HydrophobicContact CG2-CB 4.48Å; T409-V539 PolarHBondContact N-O 2.91Å; V433-V539 WeakPolarHBondContact O-CA 2.97Å; L435-V539 HydrophobicContact CD1-CG1 3.4Å; L435-V539 VanDerWaalsContact CD1-CG1 3.4Å; L435-V539 HydrophobicContact CG-CG1 4.05Å; T537-V539 HydrophobicContact CG2-CG2 4.45Å; V539-C548 HydrophobicContact CG1-CB 4.05Å; V539-F551 HydrophobicContact CG1-CB 4.42Å; V539-F551 HydrophobicContact CG1-CD1 3.95Å; V539-F551 HydrophobicContact CG1-CG 4.43Å; V539-F551 HydrophobicContact CG2-CD1 3.87Å; V539-F551 HydrophobicContact CG2-CE1 4.13Å; V539-V552 HydrophobicContact CB-CG2 4.47Å; V539-V552 HydrophobicContact CG2-CG2 3.99Å
540I97.9Very high90Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-115137.4-175.3-46177.6000109.1T409 W411 F420 V432 V433 N434 L435 F447 V538T409-I540 HydrophobicContact CG2-CB 4.5Å; T409-I540 HydrophobicContact CG2-CG1 3.81Å; T409-I540 WeakPolarHBondContact O-CA 3.48Å; W411-I540 HydrophobicContact CB-CG2 4.44Å; F420-I540 HydrophobicContact CD2-CD1 4.32Å; F420-I540 HydrophobicContact CE2-CD1 3.33Å; F420-I540 HydrophobicContact CE2-CG1 4.28Å; F420-I540 HydrophobicContact CZ-CD1 3.6Å; V432-I540 HydrophobicContact CG1-CD1 3.52Å; V432-I540 HydrophobicContact CG1-CG1 4.04Å; V433-I540 PolarHBondContact O-N 3.26Å; N434-I540 HydrophobicContact CB-CB 4.44Å; L435-I540 WeakPolarHBondContact CB-O 3.34Å; L435-I540 PolarHBondContact N-O 3.15Å; F447-I540 HydrophobicContact CE2-CD1 4.48Å; F447-I540 HydrophobicContact CZ-CD1 4.24Å; V538-I540 HydrophobicContact CG1-CG1 4Å
541S95.8Very high91.2Very high0 Ų028.8 Ų28.80%014%0.142CC..EExtended strand (participates in β ladder)trans-132.5170158.7750000109T409 E410 W411 N543 G544 V545 C548T409-S541 PolarHBondContact O-N 3.42Å; E410-S541 CarbonylContact C-O 3.58Å; E410-S541 WeakPolarHBondContact CA-O 3.43Å; W411-S541 PolarHBondContact N-O 3.39Å; S541-N543 PolarHBondContact O-N 2.88Å; S541-N543 PolarHBondContact OG-OD1 3.19Å; S541-G544 PolarHBondContact O-N 3.16Å; S541-G544 WeakPolarHBondContact OG-CA 3.43Å; S541-G544 PolarHBondContact OG-N 2.96Å; S541-V545 PolarHBondContact OG-N 3.49Å; S541-V545 PolarHBondContact OG-O 3.21Å; S541-C548 WeakPolarHBondContact CB-SG 3.34Å; S541-C548 PolarHBondContact N-SG 3.23Å; S541-C548 VanDerWaalsContact N-SG 3.42Å; S541-C548 PolarHBondContact OG-SG 3.46Å
542H94.1Very high92.7Very high27 Ų2718.4 Ų18.413%0.12510%0.103CC..THydrogen-bonded Turntrans-47.8-28177.864-32.6000115.8R365 T436 Y444 R547R365-H542 WeakPolarHBondContact CD-O 3.49Å; R365-H542 PolarHBondContact NE-O 3.15Å; T436-H542 HydrophobicContact CG2-CB 3.99Å; T436-H542 PolarHBondContact OG1-N 3.34Å; T436-H542 VanDerWaalsContact OG1-N 3.14Å; Y444-H542 HydrophobicContact CD1-CB 4.42Å; Y444-H542 HydrophobicContact CE1-CB 3.6Å; H542-R547 PolarHBondContact CE1-NH1 3.44Å; H542-R547 PolarHBondContact ND1-NH1 3.24Å; H542-R547 PolarHBondContact NE2-NH1 2.89Å
543N93.6Very high94.2Very high48 Ų4817.5 Ų17.526%0.25710%0.097SC..THydrogen-bonded Turntrans-135.14.9-176.561.7-1000113.7S541 V545S541-N543 PolarHBondContact O-N 2.88Å; S541-N543 PolarHBondContact OG-OD1 3.19Å; N543-V545 VanDerWaalsContact C-N 3.3Å; N543-V545 HydrophobicContact CB-CG2 4.35Å; N543-V545 VanDerWaalsContact ND2-CG2 3.26Å; N543-V545 WeakPolarHBondContact ND2-CG2 3.4Å; N543-V545 PolarHBondContact O-N 3.16Å; N543-V545 VanDerWaalsContact OD1-CG2 3.24Å; N543-V545 WeakPolarHBondContact OD1-CG2 3.45Å; N543-V545 PolarHBondContact OD1-N 3.19Å
544G95Very high95.5Very high0 Ų011.3 Ų11.30%06%0.064CC..SBendtrans68.122.3176.300000115.2V408 T409 S541 R580V408-G544 WeakPolarHBondContact CG1-O 3.36Å; T409-G544 VanDerWaalsContact O-CA 3.32Å; T409-G544 WeakPolarHBondContact O-CA 3.34Å; S541-G544 PolarHBondContact O-N 3.16Å; S541-G544 WeakPolarHBondContact OG-CA 3.43Å; S541-G544 PolarHBondContact OG-N 2.96Å; G544-R580 VanDerWaalsContact O-CD 3.23Å; G544-R580 WeakPolarHBondContact O-CD 3.38Å; G544-R580 PolarHBondContact O-NH1 2.88Å
545V95.7Very high96.4Very high9 Ų96.6 Ų6.66%0.0554%0.035CC..SBendtrans-132.5-170.1178.5-58.80000111.3V369 S541 N543 R547 C548 R580 Q582V369-V545 HydrophobicContact CB-CG1 4.47Å; V369-V545 HydrophobicContact CG1-CG1 3.39Å; V369-V545 HydrophobicContact CG2-CG1 4.29Å; S541-V545 PolarHBondContact OG-N 3.49Å; S541-V545 PolarHBondContact OG-O 3.21Å; N543-V545 VanDerWaalsContact C-N 3.3Å; N543-V545 HydrophobicContact CB-CG2 4.35Å; N543-V545 VanDerWaalsContact ND2-CG2 3.26Å; N543-V545 WeakPolarHBondContact ND2-CG2 3.4Å; N543-V545 PolarHBondContact O-N 3.16Å; N543-V545 VanDerWaalsContact OD1-CG2 3.24Å; N543-V545 WeakPolarHBondContact OD1-CG2 3.45Å; N543-V545 PolarHBondContact OD1-N 3.19Å; V545-R547 PolarHBondContact O-N 3.46Å; V545-C548 PolarHBondContact O-N 3.24Å; V545-R580 HydrophobicContact CG1-CG 4.46Å; V545-Q582 HydrophobicContact CB-CB 3.95Å; V545-Q582 WeakPolarHBondContact CB-O 3.36Å; V545-Q582 HydrophobicContact CG1-CB 3.57Å
546S93.2Very high96.7Very high11 Ų115.6 Ų5.68%0.0773%0.031CC..THydrogen-bonded Turntrans50.4-94.7170.8168.30000113.3C548 G549 I550 Q582 L583 E589S546-C548 PolarHBondContact O-N 3.42Å; S546-C548 VanDerWaalsContact O-N 3.08Å; S546-G549 WeakPolarHBondContact O-CA 3.42Å; S546-G549 PolarHBondContact O-N 3.11Å; S546-I550 PolarHBondContact O-N 3.17Å; S546-Q582 PolarHBondContact N-O 3.3Å; S546-L583 VanDerWaalsContact O-O 3.11Å; S546-E589 VanDerWaalsContact CB-OE1 3.31Å; S546-E589 WeakPolarHBondContact CB-OE1 3.26Å; S546-E589 PolarHBondContact OG-OE1 3.43Å
547R95.4Very high96.9Very high6 Ų65 Ų52%0.0233%0.027CC..Hα-helixtrans-46.6-41.2177.3-48.7-171.8175.299.525.4113.7L435 T436 W501 P502 A503 H505 H542 V545 G549 I550 F551L435-R547 HydrophobicContact CB-CB 4.18Å; L435-R547 HydrophobicContact CD1-CB 4.2Å; L435-R547 WeakPolarHBondContact CD1-O 3.43Å; L435-R547 WeakPolarHBondContact O-CD 3.44Å; T436-R547 PolarHBondContact OG1-NH1 3.09Å; W501-R547 HydrophobicContact CD2-CB 4.41Å; W501-R547 HydrophobicContact CD2-CG 4.14Å; W501-R547 HydrophobicContact CE3-CB 4.43Å; W501-R547 HydrophobicContact CH2-CB 3.81Å; W501-R547 HydrophobicContact CH2-CG 4.15Å; W501-R547 HydrophobicContact CZ2-CB 3.76Å; W501-R547 HydrophobicContact CZ2-CG 3.56Å; W501-R547 HydrophobicContact CZ3-CB 4.15Å; W501-R547 VanDerWaalsContact NE1-NE 3.13Å; P502-R547 PolarHBondContact O-NH2 3.33Å; A503-R547 PolarHBondContact O-NH2 3.45Å; H505-R547 PolarHBondContact O-NE 3.44Å; H505-R547 PolarHBondContact O-NH2 3.38Å; H542-R547 PolarHBondContact CE1-NH1 3.44Å; H542-R547 PolarHBondContact ND1-NH1 3.24Å; H542-R547 PolarHBondContact NE2-NH1 2.89Å; V545-R547 PolarHBondContact O-N 3.46Å; R547-G549 VanDerWaalsContact C-N 3.29Å; R547-G549 PolarHBondContact O-N 2.96Å; R547-I550 PolarHBondContact O-N 3.29Å; R547-F551 PolarHBondContact O-N 3.32Å; R547-F551 VanDerWaalsContact O-N 3.09Å
548C97.7Very high96.9Very high0 Ų05 Ų50%03%0.026CC..Hα-helixtrans-62.4-39.2177.9-65.10000111.6V408 V539 S541 V545 S546 F551 V552 L583V408-C548 HydrophobicContact CG1-CB 3.45Å; V408-C548 VanDerWaalsContact CG1-CB 3.45Å; V408-C548 HydrophobicContact CG2-CB 4.27Å; V539-C548 HydrophobicContact CG1-CB 4.05Å; S541-C548 WeakPolarHBondContact CB-SG 3.34Å; S541-C548 PolarHBondContact N-SG 3.23Å; S541-C548 VanDerWaalsContact N-SG 3.42Å; S541-C548 PolarHBondContact OG-SG 3.46Å; V545-C548 PolarHBondContact O-N 3.24Å; S546-C548 PolarHBondContact O-N 3.42Å; S546-C548 VanDerWaalsContact O-N 3.08Å; C548-F551 PolarHBondContact O-N 3.12Å; C548-V552 WeakPolarHBondContact O-CB 3.38Å; C548-V552 VanDerWaalsContact O-CG2 3.28Å; C548-V552 WeakPolarHBondContact O-CG2 3.42Å; C548-V552 PolarHBondContact O-N 2.91Å; C548-L583 HydrophobicContact CB-CD2 3.65Å
549G97.6Very high96.8Very high0 Ų05.4 Ų5.40%03%0.029CC..Hα-helixtrans-66.5-43.1178.500000112.5S546 R547 F551 V552 A553 L583 F584S546-G549 WeakPolarHBondContact O-CA 3.42Å; S546-G549 PolarHBondContact O-N 3.11Å; R547-G549 VanDerWaalsContact C-N 3.29Å; R547-G549 PolarHBondContact O-N 2.96Å; G549-F551 PolarHBondContact O-N 3.1Å; G549-V552 PolarHBondContact O-N 2.77Å; G549-A553 WeakPolarHBondContact O-CB 3.16Å; G549-A553 PolarHBondContact O-N 2.8Å; G549-L583 WeakPolarHBondContact CA-O 3.34Å; G549-F584 WeakPolarHBondContact O-CZ 3.34Å
550I97.8Very high96.7Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-56.4-50.4173.7-64.5164.9000110.4W501 S546 R547 I554 F584 E589 Y592 L596W501-I550 HydrophobicContact CH2-CB 4.09Å; W501-I550 HydrophobicContact CH2-CD1 3.77Å; W501-I550 HydrophobicContact CH2-CG2 4.1Å; W501-I550 HydrophobicContact CZ2-CD1 3.81Å; S546-I550 PolarHBondContact O-N 3.17Å; R547-I550 PolarHBondContact O-N 3.29Å; I550-I554 VanDerWaalsContact O-CG2 3.26Å; I550-I554 WeakPolarHBondContact O-CG2 3.43Å; I550-I554 PolarHBondContact O-N 3Å; I550-F584 HydrophobicContact CG1-CE1 4Å; I550-E589 HydrophobicContact CD1-CB 3.97Å; I550-E589 HydrophobicContact CD1-CG 4.25Å; I550-E589 HydrophobicContact CG1-CB 4.26Å; I550-Y592 HydrophobicContact CD1-CD1 4.1Å; I550-Y592 HydrophobicContact CG2-CD1 3.95Å; I550-Y592 HydrophobicContact CG2-CE1 4.03Å; I550-L596 HydrophobicContact CG2-CD2 3.95Å
551F98.1Very high96.5Very high1 Ų15.6 Ų5.60%0.0043%0.03CC..Hα-helixtrans-66.9-38.7-176.7-175.3-91.5000113.4W406 V433 L435 L514 V517 I518 A521 V539 R547 C548 G549 I554 N555W406-F551 HydrophobicContact CZ3-CE1 4.1Å; V433-F551 HydrophobicContact CB-CE1 4.17Å; V433-F551 HydrophobicContact CB-CZ 4.14Å; V433-F551 HydrophobicContact CG1-CE1 4.21Å; V433-F551 HydrophobicContact CG1-CE2 3.97Å; V433-F551 HydrophobicContact CG1-CZ 3.81Å; V433-F551 HydrophobicContact CG2-CE1 3.99Å; V433-F551 HydrophobicContact CG2-CZ 3.82Å; L435-F551 HydrophobicContact CD1-CB 3.48Å; L435-F551 VanDerWaalsContact CD1-CB 3.48Å; L435-F551 HydrophobicContact CD1-CG 4Å; L435-F551 HydrophobicContact CD2-CB 4.13Å; L435-F551 HydrophobicContact CD2-CD2 3.68Å; L435-F551 HydrophobicContact CD2-CE2 4.29Å; L435-F551 HydrophobicContact CD2-CG 3.93Å; L435-F551 HydrophobicContact CG-CB 4.43Å; L514-F551 HydrophobicContact CD1-CD2 4.26Å; V517-F551 HydrophobicContact CG1-CE2 4.23Å; I518-F551 HydrophobicContact CB-CE2 4.47Å; I518-F551 HydrophobicContact CG1-CD2 3.95Å; I518-F551 HydrophobicContact CG1-CE2 3.56Å; I518-F551 HydrophobicContact CG1-CZ 4.41Å; A521-F551 HydrophobicContact CB-CZ 4.22Å; V539-F551 HydrophobicContact CG1-CB 4.42Å; V539-F551 HydrophobicContact CG1-CD1 3.95Å; V539-F551 HydrophobicContact CG1-CG 4.43Å; V539-F551 HydrophobicContact CG2-CD1 3.87Å; V539-F551 HydrophobicContact CG2-CE1 4.13Å; R547-F551 PolarHBondContact O-N 3.32Å; R547-F551 VanDerWaalsContact O-N 3.09Å; C548-F551 PolarHBondContact O-N 3.12Å; G549-F551 PolarHBondContact O-N 3.1Å; F551-I554 VanDerWaalsContact O-CG2 3.25Å; F551-I554 WeakPolarHBondContact O-CG2 3.42Å; F551-N555 PolarHBondContact O-N 3.11Å; F551-N555 PolarHBondContact O-ND2 3.21Å
552V98.3Very high96.4Very high0 Ų08.8 Ų8.80%05%0.047CC..Hα-helixtrans-71.2-47.5177.2175.80000110.3V397 W406 V408 V539 C548 G549 I554 N555 I556 V576V397-V552 HydrophobicContact CG1-CG1 3.87Å; W406-V552 HydrophobicContact CB-CG1 4.24Å; W406-V552 HydrophobicContact CB-CG2 4.19Å; W406-V552 HydrophobicContact CD2-CG1 3.95Å; W406-V552 HydrophobicContact CD2-CG2 4.12Å; W406-V552 HydrophobicContact CE3-CG2 4.18Å; W406-V552 HydrophobicContact CG-CG1 3.65Å; W406-V552 HydrophobicContact CG-CG2 4.12Å; V408-V552 HydrophobicContact CG2-CG2 4.03Å; V539-V552 HydrophobicContact CB-CG2 4.47Å; V539-V552 HydrophobicContact CG2-CG2 3.99Å; C548-V552 WeakPolarHBondContact O-CB 3.38Å; C548-V552 VanDerWaalsContact O-CG2 3.28Å; C548-V552 WeakPolarHBondContact O-CG2 3.42Å; C548-V552 PolarHBondContact O-N 2.91Å; G549-V552 PolarHBondContact O-N 2.77Å; V552-I554 PolarHBondContact O-N 3.16Å; V552-N555 PolarHBondContact O-N 2.98Å; V552-N555 VanDerWaalsContact O-N 3.14Å; V552-I556 HydrophobicContact CG1-CD1 4.07Å; V552-I556 WeakPolarHBondContact O-CG1 3.21Å; V552-I556 PolarHBondContact O-N 3.12Å; V552-V576 HydrophobicContact CB-CG2 4.23Å; V552-V576 HydrophobicContact CG1-CG2 3.75Å
553A98.4Very high96.4Very high0 Ų09.7 Ų9.70%05%0.054CC..Hα-helixtrans-61.8-41.8-178.400000112.3G549 N555 I556 L557 V576 F584 L593G549-A553 WeakPolarHBondContact O-CB 3.16Å; G549-A553 PolarHBondContact O-N 2.8Å; A553-N555 VanDerWaalsContact C-N 3.29Å; A553-N555 PolarHBondContact O-N 3.28Å; A553-I556 WeakPolarHBondContact O-CB 3.45Å; A553-I556 PolarHBondContact O-N 2.75Å; A553-L557 VanDerWaalsContact O-CG 3.31Å; A553-L557 WeakPolarHBondContact O-CG 3.25Å; A553-L557 PolarHBondContact O-N 3.16Å; A553-V576 HydrophobicContact CB-CG2 4.04Å; A553-F584 HydrophobicContact CB-CE2 4.06Å; A553-F584 HydrophobicContact CB-CZ 3.66Å; A553-L593 HydrophobicContact CB-CD1 3.85Å; A553-L593 HydrophobicContact CB-CD2 3.68Å; A553-L593 HydrophobicContact CB-CG 4.43Å
554I98.4Very high96.3Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-63.8-36.4177.1-171.162.9000111.7I518 I550 F551 V552 L557 I558 L593 L596 L597I518-I554 HydrophobicContact CD1-CG1 4.19Å; I518-I554 HydrophobicContact CD1-CG2 3.58Å; I518-I554 HydrophobicContact CG1-CG2 4.35Å; I550-I554 VanDerWaalsContact O-CG2 3.26Å; I550-I554 WeakPolarHBondContact O-CG2 3.43Å; I550-I554 PolarHBondContact O-N 3Å; F551-I554 VanDerWaalsContact O-CG2 3.25Å; F551-I554 WeakPolarHBondContact O-CG2 3.42Å; V552-I554 PolarHBondContact O-N 3.16Å; I554-L557 PolarHBondContact O-N 3.11Å; I554-I558 HydrophobicContact CG1-CD1 4Å; I554-I558 HydrophobicContact CG1-CG1 4.38Å; I554-I558 WeakPolarHBondContact O-CD1 3.48Å; I554-I558 WeakPolarHBondContact O-CG1 3.5Å; I554-I558 PolarHBondContact O-N 2.88Å; I554-L593 HydrophobicContact CB-CD1 3.92Å; I554-L593 HydrophobicContact CD1-CD1 4.48Å; I554-L596 HydrophobicContact CB-CD2 3.85Å; I554-L596 HydrophobicContact CD1-CD2 4.21Å; I554-L596 HydrophobicContact CD1-CG 3.94Å; I554-L596 HydrophobicContact CG1-CD2 3.74Å; I554-L596 HydrophobicContact CG1-CG 3.88Å; I554-L596 HydrophobicContact CG2-CD2 3.98Å; I554-L597 HydrophobicContact CD1-CB 3.98Å; I554-L597 HydrophobicContact CD1-CD1 4.01Å
555N98Very high96.2Very high1 Ų113.6 Ų13.61%0.0057%0.071CC..Hα-helixtrans-67.1-39.3175.7-84.9-87.4000112W406 R522 F551 V552 A553 L557 I558 D559W406-N555 HydrophobicContact CH2-CB 3.42Å; W406-N555 VanDerWaalsContact CH2-CB 3.42Å; W406-N555 HydrophobicContact CZ2-CB 3.43Å; W406-N555 VanDerWaalsContact CZ2-CB 3.43Å; W406-N555 HydrophobicContact CZ3-CB 4.5Å; R522-N555 WeakPolarHBondContact CG-OD1 3.44Å; F551-N555 PolarHBondContact O-N 3.11Å; F551-N555 PolarHBondContact O-ND2 3.21Å; V552-N555 PolarHBondContact O-N 2.98Å; V552-N555 VanDerWaalsContact O-N 3.14Å; A553-N555 VanDerWaalsContact C-N 3.29Å; A553-N555 PolarHBondContact O-N 3.28Å; N555-L557 VanDerWaalsContact C-N 3.31Å; N555-L557 PolarHBondContact O-N 2.97Å; N555-I558 PolarHBondContact O-N 3.43Å; N555-D559 PolarHBondContact O-N 3.07Å; N555-D559 VanDerWaalsContact O-OD2 3.13Å
556I97.9Very high96.1Very high1 Ų118.1 Ų18.11%0.0059%0.087CC..Hα-helixtrans-57.8-46172.3-67.8171.3000110.2D398 F400 V552 A553 D559 Q560 A572 I575 V576D398-I556 WeakPolarHBondContact O-CD1 3.38Å; F400-I556 HydrophobicContact CB-CG2 4.06Å; V552-I556 HydrophobicContact CG1-CD1 4.07Å; V552-I556 WeakPolarHBondContact O-CG1 3.21Å; V552-I556 PolarHBondContact O-N 3.12Å; A553-I556 WeakPolarHBondContact O-CB 3.45Å; A553-I556 PolarHBondContact O-N 2.75Å; I556-D559 PolarHBondContact O-N 3.3Å; I556-Q560 PolarHBondContact O-N 3.38Å; I556-A572 HydrophobicContact CB-CB 4.34Å; I556-A572 HydrophobicContact CG2-CB 3.77Å; I556-I575 HydrophobicContact CD1-CG2 4.43Å; I556-V576 HydrophobicContact CD1-CG2 3.67Å
557L98.2Very high96.2Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-66.7-38.8-179.9-68.9162.8000113A553 I554 N555 D559 Q560 I561 V567 V569 A572 L593 L597A553-L557 VanDerWaalsContact O-CG 3.31Å; A553-L557 WeakPolarHBondContact O-CG 3.25Å; A553-L557 PolarHBondContact O-N 3.16Å; I554-L557 PolarHBondContact O-N 3.11Å; N555-L557 VanDerWaalsContact C-N 3.31Å; N555-L557 PolarHBondContact O-N 2.97Å; L557-D559 VanDerWaalsContact C-N 3.33Å; L557-Q560 WeakPolarHBondContact O-CB 3.49Å; L557-Q560 PolarHBondContact O-N 3.16Å; L557-I561 WeakPolarHBondContact O-CG1 3.4Å; L557-I561 PolarHBondContact O-N 2.71Å; L557-V567 HydrophobicContact CD2-CB 4.18Å; L557-V569 HydrophobicContact CD1-CG1 4.26Å; L557-V569 HydrophobicContact CD1-CG2 4.21Å; L557-V569 HydrophobicContact CD2-CB 4.45Å; L557-V569 HydrophobicContact CD2-CG2 4.07Å; L557-A572 HydrophobicContact CD1-CB 4.37Å; L557-A572 HydrophobicContact CD2-CB 3.8Å; L557-A572 HydrophobicContact CG-CB 3.82Å; L557-L593 HydrophobicContact CD1-CD1 3.94Å; L557-L593 HydrophobicContact CD1-CD2 4.1Å; L557-L593 HydrophobicContact CD1-CG 4.02Å; L557-L597 HydrophobicContact CB-CD1 3.87Å; L557-L597 HydrophobicContact CD1-CD2 4.26Å; L557-L597 HydrophobicContact CD2-CD2 4.45Å
558I97.2Very high96.3Very high0 Ų017.7 Ų17.70%08%0.084CC..Hα-helixtrans-62.1-44.6173.8-67.5164000110I518 I554 N555 Q560 I561 D562 Y600I518-I558 HydrophobicContact CG2-CD1 3.68Å; I554-I558 HydrophobicContact CG1-CD1 4Å; I554-I558 HydrophobicContact CG1-CG1 4.38Å; I554-I558 WeakPolarHBondContact O-CD1 3.48Å; I554-I558 WeakPolarHBondContact O-CG1 3.5Å; I554-I558 PolarHBondContact O-N 2.88Å; N555-I558 PolarHBondContact O-N 3.43Å; I558-Q560 VanDerWaalsContact C-N 3.28Å; I558-Q560 PolarHBondContact O-N 3.46Å; I558-I561 PolarHBondContact O-N 3.37Å; I558-D562 WeakPolarHBondContact O-CB 3.43Å; I558-D562 PolarHBondContact O-N 3.44Å; I558-Y600 HydrophobicContact CB-CE1 4.3Å; I558-Y600 HydrophobicContact CD1-CD1 4.17Å; I558-Y600 HydrophobicContact CD1-CD2 3.83Å; I558-Y600 HydrophobicContact CD1-CE1 3.9Å; I558-Y600 HydrophobicContact CD1-CE2 3.55Å; I558-Y600 HydrophobicContact CD1-CG 4.13Å; I558-Y600 HydrophobicContact CG1-CD1 3.78Å; I558-Y600 HydrophobicContact CG1-CD2 4.36Å; I558-Y600 HydrophobicContact CG1-CE1 3.57Å; I558-Y600 HydrophobicContact CG1-CE2 4.19Å; I558-Y600 HydrophobicContact CG1-CG 4.18Å; I558-Y600 HydrophobicContact CG2-CE1 3.82Å
559D96Very high96.2Very high9 Ų918 Ų185%0.0489%0.086CC..Hα-helixtrans-66-29.2176.8-77.2-58.4000113F400 K401 R522 N555 I556 L557 V563F400-D559 HydrophobicContact CB-CB 4Å; F400-D559 HydrophobicContact CD1-CB 3.86Å; F400-D559 WeakPolarHBondContact CE1-O 3.13Å; F400-D559 HydrophobicContact CG-CB 4.32Å; K401-D559 IonicContact NZ-OD1 2.89Å; K401-D559 PolarHBondContact NZ-OD1 2.87Å; R522-D559 IonicContact CZ-OD1 2.82Å; R522-D559 IonicContact CZ-OD2 3.66Å; R522-D559 IonicContact NH1-OD1 3.93Å; R522-D559 IonicContact NH1-OD2 3.52Å; R522-D559 PolarHBondContact NH1-OD2 3.22Å; R522-D559 IonicContact NH2-OD1 3.94Å; R522-D559 PolarHBondContact NH2-OD1 3.1Å; R522-D559 IonicContact NH2-OD2 3.77Å; N555-D559 PolarHBondContact O-N 3.07Å; N555-D559 VanDerWaalsContact O-OD2 3.13Å; I556-D559 PolarHBondContact O-N 3.3Å; L557-D559 VanDerWaalsContact C-N 3.33Å; D559-V563 VanDerWaalsContact O-CG2 3.26Å; D559-V563 WeakPolarHBondContact O-CG2 3.35Å; D559-V563 PolarHBondContact O-N 3.18Å
560Q95.8Very high96.1Very high5 Ų518.5 Ų18.52%0.0239%0.088CC..Hα-helixtrans-65.9-48.6169.8-79.2-179.2-3.700112.2F400 I556 L557 I558 D562 V563 E564 R566F400-Q560 HydrophobicContact CD1-CG 4.24Å; F400-Q560 HydrophobicContact CD2-CG 3.4Å; F400-Q560 VanDerWaalsContact CD2-CG 3.4Å; F400-Q560 HydrophobicContact CE1-CG 4.15Å; F400-Q560 HydrophobicContact CE2-CB 4.44Å; F400-Q560 HydrophobicContact CE2-CG 3.31Å; F400-Q560 HydrophobicContact CG-CG 3.88Å; F400-Q560 HydrophobicContact CZ-CB 4.38Å; F400-Q560 HydrophobicContact CZ-CG 3.68Å; I556-Q560 PolarHBondContact O-N 3.38Å; L557-Q560 WeakPolarHBondContact O-CB 3.49Å; L557-Q560 PolarHBondContact O-N 3.16Å; I558-Q560 VanDerWaalsContact C-N 3.28Å; I558-Q560 PolarHBondContact O-N 3.46Å; Q560-D562 VanDerWaalsContact C-N 3.31Å; Q560-D562 PolarHBondContact O-N 3.18Å; Q560-V563 PolarHBondContact O-N 2.93Å; Q560-E564 WeakPolarHBondContact O-CB 3.23Å; Q560-E564 PolarHBondContact O-N 2.86Å; Q560-R566 CarbonylContact C-O 3.53Å
561I95Very high96Very high0 Ų019.1 Ų19.10%09%0.091CC..Hα-helixtrans-55.1-51.2174.9-67.7175.4000109.7L310 L313 L557 I558 V563 Q565 V567 L597 Y607L310-I561 HydrophobicContact CD2-CG1 4.29Å; L310-I561 HydrophobicContact CD2-CG2 4.1Å; L313-I561 HydrophobicContact CD2-CD1 4.48Å; L557-I561 WeakPolarHBondContact O-CG1 3.4Å; L557-I561 PolarHBondContact O-N 2.71Å; I558-I561 PolarHBondContact O-N 3.37Å; I561-V563 PolarHBondContact O-N 2.93Å; I561-Q565 WeakPolarHBondContact O-CA 3.19Å; I561-Q565 PolarHBondContact O-N 3.45Å; I561-Q565 PolarHBondContact O-NE2 2.89Å; I561-V567 HydrophobicContact CB-CG1 4.46Å; I561-V567 HydrophobicContact CD1-CG1 3.78Å; I561-V567 HydrophobicContact CG1-CG1 3.16Å; I561-L597 HydrophobicContact CD1-CD1 3.74Å; I561-Y607 HydrophobicContact CB-CE1 4.49Å; I561-Y607 HydrophobicContact CG2-CD1 3.65Å; I561-Y607 HydrophobicContact CG2-CD2 4.32Å; I561-Y607 HydrophobicContact CG2-CE1 3.3Å; I561-Y607 HydrophobicContact CG2-CE2 4.02Å; I561-Y607 HydrophobicContact CG2-CG 4.15Å; I561-Y607 VanDerWaalsContact CG2-CZ 3.49Å
562D93.8Very high95.9Very high67 Ų6719 Ų1936%0.3589%0.09SC..Hα-helixtrans-58.9-33.3-174.9-72.7-16.2000112.6R522 I558 Q560 Y607R522-D562 IonicContact NH2-OD2 2.86Å; R522-D562 PolarHBondContact NH2-OD2 3.34Å; I558-D562 WeakPolarHBondContact O-CB 3.43Å; I558-D562 PolarHBondContact O-N 3.44Å; Q560-D562 VanDerWaalsContact C-N 3.31Å; Q560-D562 PolarHBondContact O-N 3.18Å; D562-Y607 PolarHBondContact OD1-OH 3.2Å
563V92.8Very high95.9Very high45 Ų4519 Ų1927%0.2739%0.09SC..Hα-helixtrans-98.8-34.6-174.5177.70000113.1K169 F171 F400 D559 Q560 I561K169-V563 HydrophobicContact CD-CG1 4.47Å; F171-V563 HydrophobicContact CE1-CG1 4.14Å; F171-V563 HydrophobicContact CZ-CG1 4.36Å; F400-V563 HydrophobicContact CE1-CB 3.93Å; F400-V563 HydrophobicContact CE1-CG1 4.3Å; F400-V563 HydrophobicContact CE1-CG2 4.07Å; D559-V563 VanDerWaalsContact O-CG2 3.26Å; D559-V563 WeakPolarHBondContact O-CG2 3.35Å; D559-V563 PolarHBondContact O-N 3.18Å; Q560-V563 PolarHBondContact O-N 2.93Å; I561-V563 PolarHBondContact O-N 2.93Å
564E92.4Very high95.7Very high54 Ų5419.4 Ų19.425%0.2529%0.092SC..Hα-helixtrans-125.6-11.5-164-53.1-163.7151.500114.2F171 R228 F400 Q560 R566F171-E564 WeakPolarHBondContact CE1-OE1 3.41Å; F171-E564 VanDerWaalsContact CZ-OE1 3.29Å; F171-E564 WeakPolarHBondContact CZ-OE1 3.41Å; R228-E564 IonicContact CZ-OE1 2.62Å; R228-E564 IonicContact CZ-OE2 2.91Å; R228-E564 IonicContact NH1-OE1 3.52Å; R228-E564 PolarHBondContact NH1-OE1 3.31Å; R228-E564 IonicContact NH1-OE2 3.92Å; R228-E564 IonicContact NH2-OE1 2.71Å; R228-E564 PolarHBondContact NH2-OE1 3.39Å; R228-E564 IonicContact NH2-OE2 2.59Å; R228-E564 PolarHBondContact NH2-OE2 3.19Å; F400-E564 HydrophobicContact CZ-CG 4.14Å; Q560-E564 WeakPolarHBondContact O-CB 3.23Å; Q560-E564 PolarHBondContact O-N 2.86Å; E564-R566 PolarHBondContact O-N 3.35Å; E564-R566 VanDerWaalsContact O-N 3.11Å
565Q92.7Very high95.5Very high77 Ų7719.8 Ų19.836%0.369%0.094SC..SBendtrans54.429.4-174.9-52.8-73.5-81.100112L310 I561L310-Q565 HydrophobicContact CD1-CB 4.02Å; L310-Q565 HydrophobicContact CD1-CG 4.45Å; L310-Q565 HydrophobicContact CG-CB 4.2Å; L310-Q565 WeakPolarHBondContact CG-O 3.34Å; L310-Q565 PolarHBondContact N-O 3.3Å; I561-Q565 WeakPolarHBondContact O-CA 3.19Å; I561-Q565 PolarHBondContact O-N 3.45Å; I561-Q565 PolarHBondContact O-NE2 2.89Å
566R93.8Very high95.4Very high104 Ų10419.8 Ų19.839%0.3929%0.094SC..EExtended strand (participates in β ladder)trans-142155.3176.1-65.9-177.3179.5174-2.8108.9D231 P307 L308 Q560 E564D231-R566 IonicContact OD1-NH1 3.78Å; D231-R566 IonicContact OD2-NH1 2.93Å; D231-R566 PolarHBondContact OD2-NH1 2.86Å; P307-R566 HydrophobicContact CB-CB 4.13Å; L308-R566 CarbonylContact O-C 3.59Å; L308-R566 WeakPolarHBondContact O-CA 3.46Å; Q560-R566 CarbonylContact C-O 3.53Å; E564-R566 PolarHBondContact O-N 3.35Å; E564-R566 VanDerWaalsContact O-N 3.11Å
567V95.9Very high95.3Very high1 Ų120.3 Ų20.31%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-137.2136.6-178.7-70.60000112.2P307 L308 L313 L557 I561 L597P307-V567 CarbonylContact C-O 3.59Å; P307-V567 VanDerWaalsContact CA-O 3.28Å; P307-V567 WeakPolarHBondContact CA-O 3.41Å; L308-V567 HydrophobicContact CB-CG2 3.98Å; L308-V567 HydrophobicContact CD1-CG2 4.38Å; L308-V567 PolarHBondContact N-O 2.87Å; L308-V567 PolarHBondContact O-N 3.09Å; L313-V567 HydrophobicContact CD1-CG2 4.42Å; L313-V567 HydrophobicContact CD2-CG2 4.31Å; L557-V567 HydrophobicContact CD2-CB 4.18Å; I561-V567 HydrophobicContact CB-CG1 4.46Å; I561-V567 HydrophobicContact CD1-CG1 3.78Å; I561-V567 HydrophobicContact CG1-CG1 3.16Å; V567-L597 HydrophobicContact CB-CD2 4.11Å; V567-L597 HydrophobicContact CG1-CD1 4.44Å; V567-L597 HydrophobicContact CG1-CD2 4.24Å; V567-L597 HydrophobicContact CG2-CD2 3.97Å
568D95.7Very high95.1Very high7 Ų721.8 Ų21.84%0.03710%0.104CC..  trans-12587.9176.1-170-22.5000109.5R227 P307 F570 H571 A572R227-D568 IonicContact CZ-OD2 2.97Å; R227-D568 IonicContact NH1-OD2 2.69Å; R227-D568 PolarHBondContact NH1-OD2 2.85Å; R227-D568 IonicContact NH2-OD2 3.66Å; R227-D568 PolarHBondContact NH2-OD2 3.15Å; P307-D568 HydrophobicContact CB-CB 4.17Å; P307-D568 HydrophobicContact CG-CB 4.16Å; D568-F570 VanDerWaalsContact C-N 3.3Å; D568-F570 PolarHBondContact O-N 3.25Å; D568-F570 PolarHBondContact OD1-N 3.21Å; D568-H571 HydrophobicContact CB-CB 3.9Å; D568-H571 PolarHBondContact O-N 3.47Å; D568-H571 WeakPolarHBondContact OD1-CB 2.74Å; D568-H571 PolarHBondContact OD1-N 3.39Å; D568-H571 VanDerWaalsContact OD2-CB 3.26Å; D568-H571 WeakPolarHBondContact OD2-CB 3.05Å; D568-A572 WeakPolarHBondContact O-CB 3.46Å; D568-A572 PolarHBondContact O-N 3.41Å
569V96.4Very high94.9Very high5 Ų522.4 Ų22.43%0.0311%0.107CC..Hα-helixtrans-62.5-40.2-176.3-174.90000111.3L557 A572 A573 Y590 L593 L597L557-V569 HydrophobicContact CD1-CG1 4.26Å; L557-V569 HydrophobicContact CD1-CG2 4.21Å; L557-V569 HydrophobicContact CD2-CB 4.45Å; L557-V569 HydrophobicContact CD2-CG2 4.07Å; V569-A572 PolarHBondContact O-N 3.42Å; V569-A573 WeakPolarHBondContact O-CB 3.47Å; V569-A573 PolarHBondContact O-N 2.81Å; V569-Y590 HydrophobicContact CG1-CE2 4.22Å; V569-L593 HydrophobicContact CG1-CD2 3.69Å; V569-L593 HydrophobicContact CG1-CG 4.09Å; V569-L597 HydrophobicContact CG2-CD2 3.61Å
570F95.8Very high94.9Very high11 Ų1122.1 Ų22.15%0.04811%0.105CC..Hα-helixtrans-64.5-49.4179.7179.3-99.6000111.1C303 I305 E336 F339 L340 L343 D568 A572 A573 K574 Y590C303-F570 HydrophobicContact CB-CE1 4.28Å; C303-F570 WeakPolarHBondContact SG-CE1 3.46Å; C303-F570 VanDerWaalsContact SG-CZ 3.52Å; I305-F570 HydrophobicContact CD1-CB 4.06Å; I305-F570 HydrophobicContact CD1-CD1 3.83Å; I305-F570 HydrophobicContact CD1-CD2 3.78Å; I305-F570 HydrophobicContact CD1-CE1 4.2Å; I305-F570 HydrophobicContact CD1-CE2 4.14Å; I305-F570 HydrophobicContact CD1-CG 3.6Å; I305-F570 HydrophobicContact CD1-CZ 4.33Å; I305-F570 HydrophobicContact CG2-CB 3.99Å; E336-F570 HydrophobicContact CB-CD2 4.14Å; E336-F570 WeakPolarHBondContact O-CE2 3.29Å; F339-F570 HydrophobicContact CB-CE2 3.91Å; F339-F570 HydrophobicContact CB-CZ 3.99Å; L340-F570 HydrophobicContact CB-CE2 3.94Å; L343-F570 HydrophobicContact CD1-CE1 4.39Å; L343-F570 HydrophobicContact CD1-CZ 3.91Å; D568-F570 VanDerWaalsContact C-N 3.3Å; D568-F570 PolarHBondContact O-N 3.25Å; D568-F570 PolarHBondContact OD1-N 3.21Å; F570-A572 PolarHBondContact O-N 3.22Å; F570-A573 PolarHBondContact O-N 3.49Å; F570-K574 WeakPolarHBondContact O-CB 3.39Å; F570-K574 PolarHBondContact O-N 2.88Å; F570-Y590 WeakPolarHBondContact CA-OH 3.47Å
571H95.2Very high94.9Very high13 Ų1322.3 Ų22.36%0.0611%0.107CC..Hα-helixtrans-62.5-42.9177.7-178.487.9000112.2S220 D224 D568 K574 I575S220-H571 PolarHBondContact O-CE1 3.1Å; S220-H571 VanDerWaalsContact O-CE1 3.25Å; D224-H571 IonicContact OD2-NE2 3.99Å; D568-H571 HydrophobicContact CB-CB 3.9Å; D568-H571 PolarHBondContact O-N 3.47Å; D568-H571 WeakPolarHBondContact OD1-CB 2.74Å; D568-H571 PolarHBondContact OD1-N 3.39Å; D568-H571 VanDerWaalsContact OD2-CB 3.26Å; D568-H571 WeakPolarHBondContact OD2-CB 3.05Å; H571-K574 PolarHBondContact O-N 3.11Å; H571-I575 WeakPolarHBondContact NE2-CD1 3.5Å; H571-I575 PolarHBondContact O-N 2.8Å
572A96.8Very high94.9Very high0 Ų024.3 Ų24.30%012%0.116CC..Hα-helixtrans-60.5-47.5176.200000111.8I556 L557 D568 V569 F570 K574 I575 V576I556-A572 HydrophobicContact CB-CB 4.34Å; I556-A572 HydrophobicContact CG2-CB 3.77Å; L557-A572 HydrophobicContact CD1-CB 4.37Å; L557-A572 HydrophobicContact CD2-CB 3.8Å; L557-A572 HydrophobicContact CG-CB 3.82Å; D568-A572 WeakPolarHBondContact O-CB 3.46Å; D568-A572 PolarHBondContact O-N 3.41Å; V569-A572 PolarHBondContact O-N 3.42Å; F570-A572 PolarHBondContact O-N 3.22Å; A572-K574 VanDerWaalsContact C-N 3.28Å; A572-K574 PolarHBondContact O-N 3Å; A572-I575 PolarHBondContact O-N 2.86Å; A572-V576 VanDerWaalsContact O-CG2 3.29Å; A572-V576 WeakPolarHBondContact O-CG2 3.37Å; A572-V576 PolarHBondContact O-N 2.8Å; A572-V576 VanDerWaalsContact O-N 3.14Å
573A96.9Very high95Very high0 Ų021.1 Ų21.10%010%0.099CC..Hα-helixtrans-63.2-36.2176.900000112.2L340 V569 F570 V576 R577 F584 Y590 L593L340-A573 HydrophobicContact CD1-CB 4.29Å; L340-A573 HydrophobicContact CD2-CB 3.87Å; V569-A573 WeakPolarHBondContact O-CB 3.47Å; V569-A573 PolarHBondContact O-N 2.81Å; F570-A573 PolarHBondContact O-N 3.49Å; A573-V576 PolarHBondContact O-N 2.79Å; A573-R577 WeakPolarHBondContact O-CG 3.26Å; A573-R577 PolarHBondContact O-N 3.28Å; A573-F584 HydrophobicContact CB-CD2 4.11Å; A573-F584 HydrophobicContact CB-CE2 3.82Å; A573-F584 HydrophobicContact CB-CZ 4.26Å; A573-Y590 HydrophobicContact CB-CD2 3.97Å; A573-Y590 HydrophobicContact CB-CE2 3.72Å; A573-L593 HydrophobicContact CB-CD2 4.4Å
574K95.4Very high95.1Very high7 Ų719 Ų193%0.039%0.086CC..Hα-helixtrans-65.4-50.3176.5-178.2172.6176.2170.30112.2E299 L340 T344 F570 H571 A572 V576 R577 L578E299-K574 IonicContact OE1-NZ 3.98Å; E299-K574 PolarHBondContact OE1-NZ 3.24Å; E299-K574 IonicContact OE2-NZ 2.59Å; E299-K574 PolarHBondContact OE2-NZ 3.07Å; L340-K574 VanDerWaalsContact CD1-CA 3.47Å; L340-K574 HydrophobicContact CD1-CB 3.77Å; L340-K574 HydrophobicContact CD1-CG 4.42Å; T344-K574 HydrophobicContact CG2-CG 3.93Å; F570-K574 WeakPolarHBondContact O-CB 3.39Å; F570-K574 PolarHBondContact O-N 2.88Å; H571-K574 PolarHBondContact O-N 3.11Å; A572-K574 VanDerWaalsContact C-N 3.28Å; A572-K574 PolarHBondContact O-N 3Å; K574-V576 PolarHBondContact O-N 3.24Å; K574-R577 PolarHBondContact O-N 3.34Å; K574-L578 WeakPolarHBondContact O-CG 3.42Å; K574-L578 PolarHBondContact O-N 2.88Å
575I94Very high94.9Very high9 Ų921 Ų215%0.04610%0.098CC..Hα-helixtrans-52.8-47.1176.1-75.1175.3000110.2Y173 D398 I556 H571 A572 R577 L578Y173-I575 HydrophobicContact CE2-CD1 4.12Å; D398-I575 HydrophobicContact CB-CG2 4.03Å; I556-I575 HydrophobicContact CD1-CG2 4.43Å; H571-I575 WeakPolarHBondContact NE2-CD1 3.5Å; H571-I575 PolarHBondContact O-N 2.8Å; A572-I575 PolarHBondContact O-N 2.86Å; I575-R577 PolarHBondContact O-N 3.35Å; I575-L578 WeakPolarHBondContact O-CB 3.23Å; I575-L578 WeakPolarHBondContact O-CG 3.46Å; I575-L578 PolarHBondContact O-N 2.87Å
576V96.3Very high95Very high0 Ų020.3 Ų20.30%010%0.095CC..Hα-helixtrans-59.9-34.9-178.31690000112V397 V552 A553 I556 A572 A573 K574 L583 F584V397-V576 HydrophobicContact CG1-CB 4.32Å; V397-V576 HydrophobicContact CG1-CG2 4.09Å; V552-V576 HydrophobicContact CB-CG2 4.23Å; V552-V576 HydrophobicContact CG1-CG2 3.75Å; A553-V576 HydrophobicContact CB-CG2 4.04Å; I556-V576 HydrophobicContact CD1-CG2 3.67Å; A572-V576 VanDerWaalsContact O-CG2 3.29Å; A572-V576 WeakPolarHBondContact O-CG2 3.37Å; A572-V576 PolarHBondContact O-N 2.8Å; A572-V576 VanDerWaalsContact O-N 3.14Å; A573-V576 PolarHBondContact O-N 2.79Å; K574-V576 PolarHBondContact O-N 3.24Å; V576-L583 HydrophobicContact CG1-CB 3.74Å; V576-L583 HydrophobicContact CG1-CD1 3.81Å; V576-L583 HydrophobicContact CG1-CG 4.31Å; V576-L583 WeakPolarHBondContact O-CD1 3.41Å; V576-F584 HydrophobicContact CB-CE2 4.28Å; V576-F584 HydrophobicContact CG1-CE2 3.99Å
577R95.7Very high95Very high13 Ų1318.7 Ų18.75%0.0499%0.089CC..Hα-helixtrans-82.8-15-178.5-75.9178.465.1146.8-0.7115.2T344 A573 K574 I575 N579 R580 P581 L583 F584T344-R577 HydrophobicContact CG2-CB 3.87Å; T344-R577 PolarHBondContact O-NH2 3.25Å; T344-R577 PolarHBondContact OG1-NE 3.38Å; T344-R577 PolarHBondContact OG1-NH2 2.84Å; T344-R577 VanDerWaalsContact OG1-NH2 3.13Å; A573-R577 WeakPolarHBondContact O-CG 3.26Å; A573-R577 PolarHBondContact O-N 3.28Å; K574-R577 PolarHBondContact O-N 3.34Å; I575-R577 PolarHBondContact O-N 3.35Å; R577-N579 VanDerWaalsContact C-N 3.31Å; R577-N579 PolarHBondContact O-N 3.01Å; R577-R580 CarbonylContact O-C 3.56Å; R577-R580 PolarHBondContact O-N 2.91Å; R577-R580 VanDerWaalsContact O-N 3.11Å; R577-P581 PolarHBondContact NE-O 3.08Å; R577-P581 PolarHBondContact NH2-O 2.89Å; R577-P581 WeakPolarHBondContact O-CA 3.31Å; R577-P581 VanDerWaalsContact O-N 3.1Å; R577-L583 HydrophobicContact CG-CB 4.47Å; R577-F584 HydrophobicContact CG-CD2 4.03Å; R577-F584 PolarHBondContact NH1-O 3.32Å
578L93.1Very high95Very high31 Ų3123 Ų2316%0.16211%0.109CC..THydrogen-bonded Turntrans-51.4-47.5-171.4-70.6172.8000113Y218 K574 I575Y218-L578 HydrophobicContact CD1-CD1 4Å; Y218-L578 HydrophobicContact CD1-CD2 4.09Å; Y218-L578 HydrophobicContact CD2-CD1 3.54Å; Y218-L578 HydrophobicContact CE1-CD1 4.14Å; Y218-L578 HydrophobicContact CE1-CD2 4.35Å; Y218-L578 HydrophobicContact CE2-CD1 3.67Å; Y218-L578 HydrophobicContact CG-CD1 3.71Å; Y218-L578 HydrophobicContact CG-CD2 4.45Å; K574-L578 WeakPolarHBondContact O-CG 3.42Å; K574-L578 PolarHBondContact O-N 2.88Å; I575-L578 WeakPolarHBondContact O-CB 3.23Å; I575-L578 WeakPolarHBondContact O-CG 3.46Å; I575-L578 PolarHBondContact O-N 2.87Å
579N93.2Very high95Very high12 Ų1222.8 Ų22.86%0.06411%0.108CC..THydrogen-bonded Turntrans-98.4-6.5-177.4-56.3-31.8000113.3Y218 P372 S375 V395 Y396 R577Y218-N579 PolarHBondContact OH-OD1 3.43Å; P372-N579 WeakPolarHBondContact CD-O 3.37Å; P372-N579 HydrophobicContact CG-CB 4.14Å; P372-N579 WeakPolarHBondContact CG-O 3.37Å; S375-N579 VanDerWaalsContact OG-CG 3.24Å; S375-N579 PolarHBondContact OG-ND2 3.28Å; S375-N579 PolarHBondContact OG-OD1 2.85Å; V395-N579 HydrophobicContact CG2-CB 3.38Å; Y396-N579 PolarHBondContact O-ND2 3.07Å; R577-N579 VanDerWaalsContact C-N 3.31Å; R577-N579 PolarHBondContact O-N 3.01Å
580R96.5Very high95Very high4 Ų422.5 Ų22.52%0.01511%0.106CC..  trans-155.987.1177.2-176.1175.2-67.9-117.1-7.4109.8N393 V395 G544 V545 R577 Q582 L583N393-R580 PolarHBondContact OD1-NH1 2.82Å; N393-R580 PolarHBondContact OD1-NH2 2.84Å; V395-R580 HydrophobicContact CG1-CB 4Å; G544-R580 VanDerWaalsContact O-CD 3.23Å; G544-R580 WeakPolarHBondContact O-CD 3.38Å; G544-R580 PolarHBondContact O-NH1 2.88Å; V545-R580 HydrophobicContact CG1-CG 4.46Å; R577-R580 CarbonylContact O-C 3.56Å; R577-R580 PolarHBondContact O-N 2.91Å; R577-R580 VanDerWaalsContact O-N 3.11Å; R580-Q582 PolarHBondContact O-N 3.08Å; R580-L583 HydrophobicContact CB-CD1 3.8Å; R580-L583 HydrophobicContact CB-CG 4.08Å; R580-L583 HydrophobicContact CG-CD1 4.24Å; R580-L583 HydrophobicContact CG-CG 3.99Å; R580-L583 WeakPolarHBondContact O-CB 3.42Å; R580-L583 WeakPolarHBondContact O-CG 3.38Å; R580-L583 PolarHBondContact O-N 2.91Å
581P95.4Very high95Very high8 Ų825.2 Ų25.25%0.05212%0.118CC..G310 helixtrans-55.6-25.2-174.5-30.837.6000115.2P345 L347 R577 L583P345-P581 WeakPolarHBondContact O-CG 3.22Å; L347-P581 HydrophobicContact CG-CG 4.15Å; R577-P581 PolarHBondContact NE-O 3.08Å; R577-P581 PolarHBondContact NH2-O 2.89Å; R577-P581 WeakPolarHBondContact O-CA 3.31Å; R577-P581 VanDerWaalsContact O-N 3.1Å; P581-L583 PolarHBondContact O-N 2.86Å
582Q95.9Very high95.1Very high42 Ų4225.4 Ų25.420%0.19612%0.118CC..G310 helixtrans-74.2-2.7-179.7-55.183.9-3.500113.5M368 V369 V545 S546 R580 F584M368-Q582 PolarHBondContact O-NE2 2.91Å; V369-Q582 HydrophobicContact CG2-CG 4.25Å; V545-Q582 HydrophobicContact CB-CB 3.95Å; V545-Q582 WeakPolarHBondContact CB-O 3.36Å; V545-Q582 HydrophobicContact CG1-CB 3.57Å; S546-Q582 PolarHBondContact N-O 3.3Å; R580-Q582 PolarHBondContact O-N 3.08Å; Q582-F584 PolarHBondContact O-N 3.38Å
583L96.4Very high95.1Very high0 Ų025.4 Ų25.40%012%0.118CC..G310 helixtrans-65.9-16.1178.5-76.1168.6000113.8V397 V408 S546 C548 G549 V576 R577 R580 P581V397-L583 HydrophobicContact CG2-CD1 3.99Å; V408-L583 HydrophobicContact CG1-CD2 3.88Å; S546-L583 VanDerWaalsContact O-O 3.11Å; C548-L583 HydrophobicContact CB-CD2 3.65Å; G549-L583 WeakPolarHBondContact CA-O 3.34Å; V576-L583 HydrophobicContact CG1-CB 3.74Å; V576-L583 HydrophobicContact CG1-CD1 3.81Å; V576-L583 HydrophobicContact CG1-CG 4.31Å; V576-L583 WeakPolarHBondContact O-CD1 3.41Å; R577-L583 HydrophobicContact CG-CB 4.47Å; R580-L583 HydrophobicContact CB-CD1 3.8Å; R580-L583 HydrophobicContact CB-CG 4.08Å; R580-L583 HydrophobicContact CG-CD1 4.24Å; R580-L583 HydrophobicContact CG-CG 3.99Å; R580-L583 WeakPolarHBondContact O-CB 3.42Å; R580-L583 WeakPolarHBondContact O-CG 3.38Å; R580-L583 PolarHBondContact O-N 2.91Å; P581-L583 PolarHBondContact O-N 2.86Å
584F93Very high95.1Very high0 Ų025.6 Ų25.60%012%0.119CC..G310 helixtrans-131.789.4158.5-68-89.6000109.5Y337 L340 G549 I550 A553 A573 V576 R577 Q582 E589 L593Y337-F584 HydrophobicContact CE2-CB 4.35Å; Y337-F584 PolarHBondContact OH-O 2.84Å; L340-F584 HydrophobicContact CD2-CB 4.43Å; G549-F584 WeakPolarHBondContact O-CZ 3.34Å; I550-F584 HydrophobicContact CG1-CE1 4Å; A553-F584 HydrophobicContact CB-CE2 4.06Å; A553-F584 HydrophobicContact CB-CZ 3.66Å; A573-F584 HydrophobicContact CB-CD2 4.11Å; A573-F584 HydrophobicContact CB-CE2 3.82Å; A573-F584 HydrophobicContact CB-CZ 4.26Å; V576-F584 HydrophobicContact CB-CE2 4.28Å; V576-F584 HydrophobicContact CG1-CE2 3.99Å; R577-F584 HydrophobicContact CG-CD2 4.03Å; R577-F584 PolarHBondContact NH1-O 3.32Å; Q582-F584 PolarHBondContact O-N 3.38Å; F584-E589 WeakPolarHBondContact CA-OE2 3.48Å; F584-E589 HydrophobicContact CD1-CB 4.06Å; F584-L593 HydrophobicContact CE1-CB 4.24Å; F584-L593 HydrophobicContact CE1-CD2 4Å; F584-L593 HydrophobicContact CZ-CD2 3.74Å
585D89.5Confident95Very high96 Ų9627.5 Ų27.551%0.51313%0.13SC..  trans-85.1-17.3-173.7-166.442.1000112.3Y337 E589Y337-D585 PolarHBondContact OH-O 2.8Å; D585-E589 PolarHBondContact N-OE2 3.17Å
586H94.1Very high95.2Very high64 Ų6427.1 Ų27.130%0.29613%0.128SC..SBendtrans-137.2148.2179.8-161.1-107.2000113.3Y337 E588 E589Y337-H586 WeakPolarHBondContact OH-CA 3.28Å; Y337-H586 PolarHBondContact OH-N 2.85Å; H586-E588 VanDerWaalsContact CE1-CD 3.47Å; H586-E588 IonicContact CE1-OE1 2.81Å; H586-E588 IonicContact CE1-OE2 3.72Å; H586-E588 WeakPolarHBondContact ND1-CB 3.25Å; H586-E588 WeakPolarHBondContact ND1-CG 3.17Å; H586-E588 PolarHBondContact ND1-N 3.48Å; H586-E588 IonicContact ND1-OE2 3.45Å; H586-E588 PolarHBondContact ND1-OE2 2.99Å; H586-E588 PolarHBondContact O-N 2.79Å; H586-E589 HydrophobicContact CB-CG 4.26Å; H586-E589 PolarHBondContact N-OE2 2.81Å; H586-E589 WeakPolarHBondContact O-CB 3.24Å; H586-E589 PolarHBondContact O-N 2.79Å
587R94.8Very high95.2Very high70 Ų7027.1 Ų27.126%0.26413%0.128SC..Hα-helixtrans-56.9-36.4177.7-174.1-175.472.292.1-1.2113D330 S334 Y337 E589 Y590 K591D330-R587 IonicContact OD1-CZ 3.69Å; D330-R587 IonicContact OD1-NH1 3.93Å; D330-R587 PolarHBondContact OD1-NH1 3.36Å; D330-R587 IonicContact OD1-NH2 2.81Å; D330-R587 IonicContact OD2-CZ 3.11Å; D330-R587 IonicContact OD2-NH1 3.46Å; D330-R587 PolarHBondContact OD2-NH1 3Å; D330-R587 IonicContact OD2-NH2 2.7Å; S334-R587 WeakPolarHBondContact OG-CD 3.25Å; S334-R587 PolarHBondContact OG-NH1 3.24Å; Y337-R587 HydrophobicContact CD1-CB 3.76Å; Y337-R587 HydrophobicContact CD1-CG 4.14Å; Y337-R587 HydrophobicContact CE1-CB 4.04Å; Y337-R587 HydrophobicContact CG-CB 4.09Å; Y337-R587 HydrophobicContact CG-CG 4.18Å; R587-E589 PolarHBondContact O-N 3.14Å; R587-Y590 PolarHBondContact O-N 3.26Å; R587-K591 PolarHBondContact O-N 3.26Å
588E94.7Very high95.1Very high92 Ų9227.2 Ų27.243%0.4313%0.129SC..Hα-helixtrans-62-30.3178.2-69.9171.5174.900112.7H586 Y592H586-E588 VanDerWaalsContact CE1-CD 3.47Å; H586-E588 IonicContact CE1-OE1 2.81Å; H586-E588 IonicContact CE1-OE2 3.72Å; H586-E588 WeakPolarHBondContact ND1-CB 3.25Å; H586-E588 WeakPolarHBondContact ND1-CG 3.17Å; H586-E588 PolarHBondContact ND1-N 3.48Å; H586-E588 IonicContact ND1-OE2 3.45Å; H586-E588 PolarHBondContact ND1-OE2 2.99Å; H586-E588 PolarHBondContact O-N 2.79Å; E588-Y592 VanDerWaalsContact O-CB 3.23Å; E588-Y592 WeakPolarHBondContact O-CB 3.41Å; E588-Y592 PolarHBondContact O-N 3.42Å
589E95.6Very high95.2Very high1 Ų128.5 Ų28.51%0.00513%0.134CC..Hα-helixtrans-71.5-39.9177.8-60168.4175.900110.6R506 S546 I550 F584 D585 H586 R587 Y592 L593R506-E589 IonicContact NH1-OE1 2.7Å; S546-E589 VanDerWaalsContact CB-OE1 3.31Å; S546-E589 WeakPolarHBondContact CB-OE1 3.26Å; S546-E589 PolarHBondContact OG-OE1 3.43Å; I550-E589 HydrophobicContact CD1-CB 3.97Å; I550-E589 HydrophobicContact CD1-CG 4.25Å; I550-E589 HydrophobicContact CG1-CB 4.26Å; F584-E589 WeakPolarHBondContact CA-OE2 3.48Å; F584-E589 HydrophobicContact CD1-CB 4.06Å; D585-E589 PolarHBondContact N-OE2 3.17Å; H586-E589 HydrophobicContact CB-CG 4.26Å; H586-E589 PolarHBondContact N-OE2 2.81Å; H586-E589 WeakPolarHBondContact O-CB 3.24Å; H586-E589 PolarHBondContact O-N 2.79Å; R587-E589 PolarHBondContact O-N 3.14Å; E589-Y592 PolarHBondContact O-N 3.21Å; E589-L593 PolarHBondContact O-N 2.83Å
590Y96.7Very high95.3Very high0 Ų028.5 Ų28.50%013%0.133CC..Hα-helixtrans-67.5-42.5175.1-175.9-97.4000112Y333 E336 Y337 L340 V569 F570 A573 R587 Y592 L593 N594Y333-Y590 HydrophobicContact CD1-CE1 4.42Å; E336-Y590 HydrophobicContact CB-CE1 3.77Å; E336-Y590 WeakPolarHBondContact OE2-CE1 3.03Å; E336-Y590 VanDerWaalsContact OE2-CZ 3.3Å; E336-Y590 PolarHBondContact OE2-OH 3.3Å; Y337-Y590 HydrophobicContact CD2-CG 4.2Å; L340-Y590 HydrophobicContact CD2-CD2 3.95Å; L340-Y590 HydrophobicContact CD2-CE2 4.22Å; V569-Y590 HydrophobicContact CG1-CE2 4.22Å; F570-Y590 WeakPolarHBondContact CA-OH 3.47Å; A573-Y590 HydrophobicContact CB-CD2 3.97Å; A573-Y590 HydrophobicContact CB-CE2 3.72Å; R587-Y590 PolarHBondContact O-N 3.26Å; Y590-Y592 VanDerWaalsContact C-N 3.35Å; Y590-L593 WeakPolarHBondContact O-CB 3.44Å; Y590-L593 PolarHBondContact O-N 3.04Å; Y590-N594 PolarHBondContact O-N 2.97Å; Y590-N594 PolarHBondContact O-ND2 2.89Å
591K95.7Very high95.2Very high68 Ų6828.4 Ų28.430%0.29613%0.133SC..Hα-helixtrans-59.5-47171.4177.1178.2178.3175.10111.2D330 Y333 R587 L593 N594 D595D330-K591 IonicContact OD1-NZ 2.78Å; D330-K591 PolarHBondContact OD1-NZ 3.49Å; Y333-K591 HydrophobicContact CD2-CB 4.32Å; Y333-K591 HydrophobicContact CD2-CG 3.94Å; Y333-K591 HydrophobicContact CE2-CG 4.36Å; R587-K591 PolarHBondContact O-N 3.26Å; K591-L593 VanDerWaalsContact C-N 3.28Å; K591-L593 PolarHBondContact O-N 3.19Å; K591-N594 WeakPolarHBondContact O-CB 3.37Å; K591-N594 PolarHBondContact O-N 3.43Å; K591-D595 PolarHBondContact O-N 2.88Å
592Y97Very high95Very high17 Ų1731.5 Ų31.57%0.06715%0.148CC..Hα-helixtrans-62.5-33.9179-179.4-100.8000112.8V507 P508 T511 L514 I550 E588 E589 Y590 N594 D595 L596V507-Y592 HydrophobicContact CB-CD1 4.35Å; V507-Y592 HydrophobicContact CB-CD2 3.93Å; V507-Y592 HydrophobicContact CB-CE2 4.24Å; V507-Y592 HydrophobicContact CB-CG 4Å; V507-Y592 HydrophobicContact CG1-CD1 4.04Å; V507-Y592 HydrophobicContact CG1-CD2 3.8Å; V507-Y592 HydrophobicContact CG1-CG 3.49Å; V507-Y592 VanDerWaalsContact CG1-CG 3.49Å; P508-Y592 VanDerWaalsContact CD-CE1 3.49Å; P508-Y592 VanDerWaalsContact CD-CZ 3.45Å; P508-Y592 HydrophobicContact CG-CE1 3.92Å; P508-Y592 HydrophobicContact CG-CE2 4.4Å; P508-Y592 WeakPolarHBondContact CG-OH 3.14Å; T511-Y592 PolarHBondContact OG1-OH 3.01Å; L514-Y592 HydrophobicContact CD2-CE1 4.14Å; I550-Y592 HydrophobicContact CD1-CD1 4.1Å; I550-Y592 HydrophobicContact CG2-CD1 3.95Å; I550-Y592 HydrophobicContact CG2-CE1 4.03Å; E588-Y592 VanDerWaalsContact O-CB 3.23Å; E588-Y592 WeakPolarHBondContact O-CB 3.41Å; E588-Y592 PolarHBondContact O-N 3.42Å; E589-Y592 PolarHBondContact O-N 3.21Å; Y590-Y592 VanDerWaalsContact C-N 3.35Å; Y592-N594 VanDerWaalsContact C-N 3.3Å; Y592-N594 PolarHBondContact O-N 2.83Å; Y592-D595 PolarHBondContact O-N 2.82Å; Y592-L596 HydrophobicContact CE1-CB 4.21Å; Y592-L596 HydrophobicContact CE1-CD2 4.15Å; Y592-L596 WeakPolarHBondContact O-CB 3.48Å; Y592-L596 PolarHBondContact O-N 2.83Å
593L97.9Very high94.8Very high0 Ų032.3 Ų32.30%016%0.155CC..Hα-helixtrans-58.8-42.6172.417866.5000111.8A553 I554 L557 V569 A573 F584 E589 Y590 K591 L596 L597A553-L593 HydrophobicContact CB-CD1 3.85Å; A553-L593 HydrophobicContact CB-CD2 3.68Å; A553-L593 HydrophobicContact CB-CG 4.43Å; I554-L593 HydrophobicContact CB-CD1 3.92Å; I554-L593 HydrophobicContact CD1-CD1 4.48Å; L557-L593 HydrophobicContact CD1-CD1 3.94Å; L557-L593 HydrophobicContact CD1-CD2 4.1Å; L557-L593 HydrophobicContact CD1-CG 4.02Å; V569-L593 HydrophobicContact CG1-CD2 3.69Å; V569-L593 HydrophobicContact CG1-CG 4.09Å; A573-L593 HydrophobicContact CB-CD2 4.4Å; F584-L593 HydrophobicContact CE1-CB 4.24Å; F584-L593 HydrophobicContact CE1-CD2 4Å; F584-L593 HydrophobicContact CZ-CD2 3.74Å; E589-L593 PolarHBondContact O-N 2.83Å; Y590-L593 WeakPolarHBondContact O-CB 3.44Å; Y590-L593 PolarHBondContact O-N 3.04Å; K591-L593 VanDerWaalsContact C-N 3.28Å; K591-L593 PolarHBondContact O-N 3.19Å; L593-L596 PolarHBondContact O-N 3.47Å; L593-L597 WeakPolarHBondContact O-CB 3.23Å; L593-L597 PolarHBondContact O-N 2.95Å
594N95.8Very high94.5Very high4 Ų432.3 Ų32.32%0.02116%0.155CC..Hα-helixtrans-64.1-47.2175.2-76.3-91.1000111.1Y333 Y590 K591 Y592 L596 L597 I598Y333-N594 HydrophobicContact CE1-CB 3.89Å; Y333-N594 VanDerWaalsContact CE1-OD1 3.31Å; Y333-N594 WeakPolarHBondContact CE1-OD1 3.27Å; Y333-N594 HydrophobicContact CE2-CB 4.18Å; Y590-N594 PolarHBondContact O-N 2.97Å; Y590-N594 PolarHBondContact O-ND2 2.89Å; K591-N594 WeakPolarHBondContact O-CB 3.37Å; K591-N594 PolarHBondContact O-N 3.43Å; Y592-N594 VanDerWaalsContact C-N 3.3Å; Y592-N594 PolarHBondContact O-N 2.83Å; N594-L596 VanDerWaalsContact C-N 3.31Å; N594-L596 PolarHBondContact O-N 2.88Å; N594-L597 WeakPolarHBondContact O-CB 3.42Å; N594-L597 PolarHBondContact O-N 2.69Å; N594-I598 WeakPolarHBondContact O-CG1 3.26Å; N594-I598 PolarHBondContact O-N 2.98Å
595D94.6Very high94.2Very high47 Ų4736.6 Ų36.625%0.25118%0.184SC..Hα-helixtrans-60.1-41.8177.7-63.6-26.3000111.5Y320 K591 Y592 I598 H599Y320-D595 WeakPolarHBondContact CE1-OD1 3.26Å; Y320-D595 VanDerWaalsContact CZ-OD1 3.28Å; Y320-D595 PolarHBondContact OH-OD1 2.9Å; K591-D595 PolarHBondContact O-N 2.88Å; Y592-D595 PolarHBondContact O-N 2.82Å; D595-I598 PolarHBondContact O-N 3.4Å; D595-H599 WeakPolarHBondContact O-CB 3.35Å; D595-H599 PolarHBondContact O-N 3.49Å
596L97Very high94Very high0 Ų037 Ų370%018%0.182CC..Hα-helixtrans-64.7-41.6177.4176.863000111.7T511 L514 I515 I518 I550 I554 Y592 L593 N594 H599 Y600T511-L596 HydrophobicContact CG2-CD1 3.63Å; L514-L596 HydrophobicContact CD2-CD1 4.24Å; L514-L596 HydrophobicContact CD2-CD2 3.73Å; I515-L596 HydrophobicContact CD1-CD1 4.32Å; I515-L596 HydrophobicContact CG1-CD1 3.82Å; I518-L596 HydrophobicContact CD1-CD2 4.44Å; I550-L596 HydrophobicContact CG2-CD2 3.95Å; I554-L596 HydrophobicContact CB-CD2 3.85Å; I554-L596 HydrophobicContact CD1-CD2 4.21Å; I554-L596 HydrophobicContact CD1-CG 3.94Å; I554-L596 HydrophobicContact CG1-CD2 3.74Å; I554-L596 HydrophobicContact CG1-CG 3.88Å; I554-L596 HydrophobicContact CG2-CD2 3.98Å; Y592-L596 HydrophobicContact CE1-CB 4.21Å; Y592-L596 HydrophobicContact CE1-CD2 4.15Å; Y592-L596 WeakPolarHBondContact O-CB 3.48Å; Y592-L596 PolarHBondContact O-N 2.83Å; L593-L596 PolarHBondContact O-N 3.47Å; N594-L596 VanDerWaalsContact C-N 3.31Å; N594-L596 PolarHBondContact O-N 2.88Å; L596-H599 PolarHBondContact O-N 3.05Å; L596-Y600 WeakPolarHBondContact O-CB 3.45Å; L596-Y600 PolarHBondContact O-N 3.07Å
597L96.9Very high93.6Very high1 Ų135 Ų351%0.00517%0.172CC..Hα-helixtrans-61.8-46.7175.5179.864.2000111.5L313 I554 L557 I561 V567 V569 L593 N594 Y600 Y601L313-L597 HydrophobicContact CD1-CD2 4.15Å; L313-L597 HydrophobicContact CD1-CG 4.38Å; L313-L597 HydrophobicContact CD2-CG 4.41Å; I554-L597 HydrophobicContact CD1-CB 3.98Å; I554-L597 HydrophobicContact CD1-CD1 4.01Å; L557-L597 HydrophobicContact CB-CD1 3.87Å; L557-L597 HydrophobicContact CD1-CD2 4.26Å; L557-L597 HydrophobicContact CD2-CD2 4.45Å; I561-L597 HydrophobicContact CD1-CD1 3.74Å; V567-L597 HydrophobicContact CB-CD2 4.11Å; V567-L597 HydrophobicContact CG1-CD1 4.44Å; V567-L597 HydrophobicContact CG1-CD2 4.24Å; V567-L597 HydrophobicContact CG2-CD2 3.97Å; V569-L597 HydrophobicContact CG2-CD2 3.61Å; L593-L597 WeakPolarHBondContact O-CB 3.23Å; L593-L597 PolarHBondContact O-N 2.95Å; N594-L597 WeakPolarHBondContact O-CB 3.42Å; N594-L597 PolarHBondContact O-N 2.69Å; L597-Y600 PolarHBondContact O-N 2.85Å; L597-Y601 WeakPolarHBondContact O-CB 3.42Å; L597-Y601 PolarHBondContact O-N 2.82Å
598I94.2Very high92.8Very high14 Ų1435.6 Ų35.67%0.07218%0.178CC..Hα-helixtrans-61.2-46.8177.5-69.1169.5000110.2L313 R316 T317 Y320 N594 D595 Y600 Y601 M602L313-I598 HydrophobicContact CD1-CG1 3.9Å; R316-I598 HydrophobicContact CB-CD1 4.24Å; T317-I598 HydrophobicContact CG2-CG2 4.19Å; T317-I598 WeakPolarHBondContact OG1-CG2 3.34Å; Y320-I598 HydrophobicContact CE2-CD1 3.66Å; N594-I598 WeakPolarHBondContact O-CG1 3.26Å; N594-I598 PolarHBondContact O-N 2.98Å; D595-I598 PolarHBondContact O-N 3.4Å; I598-Y600 PolarHBondContact O-N 2.79Å; I598-Y601 PolarHBondContact O-N 2.91Å; I598-M602 HydrophobicContact CG2-CG 4.25Å; I598-M602 WeakPolarHBondContact O-CB 3.43Å; I598-M602 WeakPolarHBondContact O-CG 3.39Å; I598-M602 PolarHBondContact O-N 3.12Å
599H94.6Very high91.6Very high59 Ų5935.9 Ų35.927%0.27319%0.186SC..Hα-helixtrans-61.3-44.4177.5-163.5141.3000111.3T511 S512 I515 D595 L596 M602 T603T511-H599 HydrophobicContact CG2-CB 3.81Å; T511-H599 WeakPolarHBondContact CG2-ND1 3.22Å; S512-H599 PolarHBondContact OG-CE1 2.8Å; S512-H599 PolarHBondContact OG-NE2 2.91Å; S512-H599 VanDerWaalsContact OG-NE2 3.1Å; I515-H599 HydrophobicContact CD1-CB 4.05Å; I515-H599 WeakPolarHBondContact CD1-CD2 3.36Å; D595-H599 WeakPolarHBondContact O-CB 3.35Å; D595-H599 PolarHBondContact O-N 3.49Å; L596-H599 PolarHBondContact O-N 3.05Å; H599-M602 PolarHBondContact O-N 3.21Å; H599-T603 VanDerWaalsContact CD2-CG2 3.45Å; H599-T603 WeakPolarHBondContact CD2-CG2 3.4Å; H599-T603 WeakPolarHBondContact O-CB 3.4Å; H599-T603 WeakPolarHBondContact O-CG2 3.35Å; H599-T603 PolarHBondContact O-N 3.45Å; H599-T603 PolarHBondContact O-OG1 2.86Å
600Y95.7Very high89.8Confident11 Ų1144.6 Ų44.64%0.04323%0.227CC..Hα-helixtrans-58.1-51.4176.6-173.6-89.1000111I515 K519 I558 L596 L597 I598 M602 T603 S604 Y607I515-Y600 HydrophobicContact CG1-CD2 4.21Å; I515-Y600 HydrophobicContact CG2-CD2 3.84Å; I515-Y600 HydrophobicContact CG2-CE2 4.2Å; K519-Y600 HydrophobicContact CG-CE2 4.37Å; I558-Y600 HydrophobicContact CB-CE1 4.3Å; I558-Y600 HydrophobicContact CD1-CD1 4.17Å; I558-Y600 HydrophobicContact CD1-CD2 3.83Å; I558-Y600 HydrophobicContact CD1-CE1 3.9Å; I558-Y600 HydrophobicContact CD1-CE2 3.55Å; I558-Y600 HydrophobicContact CD1-CG 4.13Å; I558-Y600 HydrophobicContact CG1-CD1 3.78Å; I558-Y600 HydrophobicContact CG1-CD2 4.36Å; I558-Y600 HydrophobicContact CG1-CE1 3.57Å; I558-Y600 HydrophobicContact CG1-CE2 4.19Å; I558-Y600 HydrophobicContact CG1-CG 4.18Å; I558-Y600 HydrophobicContact CG2-CE1 3.82Å; L596-Y600 WeakPolarHBondContact O-CB 3.45Å; L596-Y600 PolarHBondContact O-N 3.07Å; L597-Y600 PolarHBondContact O-N 2.85Å; I598-Y600 PolarHBondContact O-N 2.79Å; Y600-M602 PolarHBondContact O-N 2.8Å; Y600-T603 CarbonylContact O-C 3.6Å; Y600-T603 PolarHBondContact O-N 3.46Å; Y600-T603 VanDerWaalsContact O-N 3.16Å; Y600-T603 PolarHBondContact O-OG1 2.8Å; Y600-S604 WeakPolarHBondContact O-CB 3.3Å; Y600-S604 PolarHBondContact O-N 2.61Å; Y600-S604 VanDerWaalsContact O-N 3.12Å; Y600-Y607 HydrophobicContact CD1-CE2 4.15Å; Y600-Y607 AromaticContact CE1-CE2 3.77Å; Y600-Y607 HydrophobicContact CE1-CE2 3.77Å
601Y93.8Very high87.6Confident3 Ų353.2 Ų53.21%0.01226%0.264CS..Hα-helixtrans-57.2-47.1177.5171.1-115.7000112L310 L313 R314 L597 I598 T603 S604 Y607 H608L310-Y601 HydrophobicContact CB-CE2 4.36Å; L310-Y601 HydrophobicContact CD1-CE2 4.36Å; L310-Y601 HydrophobicContact CD2-CD2 4.37Å; L310-Y601 HydrophobicContact CD2-CE2 4.18Å; L313-Y601 HydrophobicContact CD2-CD1 3.89Å; L313-Y601 HydrophobicContact CD2-CD2 4.29Å; L313-Y601 HydrophobicContact CD2-CG 3.76Å; L313-Y601 HydrophobicContact CG-CD1 4.09Å; L313-Y601 HydrophobicContact CG-CG 4.46Å; R314-Y601 HydrophobicContact CB-CE1 3.97Å; L597-Y601 WeakPolarHBondContact O-CB 3.42Å; L597-Y601 PolarHBondContact O-N 2.82Å; I598-Y601 PolarHBondContact O-N 2.91Å; Y601-T603 VanDerWaalsContact C-N 3.27Å; Y601-T603 PolarHBondContact O-N 2.88Å; Y601-S604 PolarHBondContact O-N 2.91Å; Y601-Y607 AromaticContact CD2-CD2 3.91Å; Y601-Y607 HydrophobicContact CD2-CD2 3.91Å; Y601-Y607 HydrophobicContact CD2-CG 4.14Å; Y601-Y607 HydrophobicContact CE2-CG 4.4Å; Y601-H608 AromaticContact CE1-CE1 3.87Å; Y601-H608 AromaticContact CE2-CE1 3.94Å; Y601-H608 AromaticContact CZ-CE1 3.61Å; Y601-H608 PolarHBondContact O-NE2 3.37Å
602M91.2Very high84.8Confident73 Ų7358.7 Ų58.736%0.3629%0.293SS..Hα-helixtrans-64.3-28.3178.8-68.5-71.8107.900113.6R314 T317 I598 H599 Y600R314-M602 HydrophobicContact CG-CE 4.45Å; T317-M602 HydrophobicContact CG2-CG 4.32Å; T317-M602 HydrophobicContact CG2-SD 3.91Å; I598-M602 HydrophobicContact CG2-CG 4.25Å; I598-M602 WeakPolarHBondContact O-CB 3.43Å; I598-M602 WeakPolarHBondContact O-CG 3.39Å; I598-M602 PolarHBondContact O-N 3.12Å; H599-M602 PolarHBondContact O-N 3.21Å; Y600-M602 PolarHBondContact O-N 2.8Å
603T91.6Very high81.9Confident58 Ų5866 Ų6636%0.35633%0.328SS..THydrogen-bonded Turntrans-101.89-176.657.40000114.1H599 Y600 Y601 P605H599-T603 VanDerWaalsContact CD2-CG2 3.45Å; H599-T603 WeakPolarHBondContact CD2-CG2 3.4Å; H599-T603 WeakPolarHBondContact O-CB 3.4Å; H599-T603 WeakPolarHBondContact O-CG2 3.35Å; H599-T603 PolarHBondContact O-N 3.45Å; H599-T603 PolarHBondContact O-OG1 2.86Å; Y600-T603 CarbonylContact O-C 3.6Å; Y600-T603 PolarHBondContact O-N 3.46Å; Y600-T603 VanDerWaalsContact O-N 3.16Å; Y600-T603 PolarHBondContact O-OG1 2.8Å; Y601-T603 VanDerWaalsContact C-N 3.27Å; Y601-T603 PolarHBondContact O-N 2.88Å; T603-P605 WeakPolarHBondContact O-CD 3.5Å
604S91.2Very high79.1Confident0 Ų071.3 Ų71.30%036%0.362CS..  trans-112.895.2176.2-950000109.5Y600 Y601 E606 Y607 H608Y600-S604 WeakPolarHBondContact O-CB 3.3Å; Y600-S604 PolarHBondContact O-N 2.61Å; Y600-S604 VanDerWaalsContact O-N 3.12Å; Y601-S604 PolarHBondContact O-N 2.91Å; S604-E606 VanDerWaalsContact C-OE2 3.32Å; S604-E606 VanDerWaalsContact CB-CD 3.41Å; S604-E606 WeakPolarHBondContact CB-OE1 3.42Å; S604-E606 PolarHBondContact O-N 3.23Å; S604-E606 VanDerWaalsContact O-N 3.11Å; S604-E606 PolarHBondContact OG-OE1 2.95Å; S604-Y607 PolarHBondContact O-N 2.81Å; S604-Y607 VanDerWaalsContact O-N 3.16Å; S604-H608 PolarHBondContact O-CD2 3.35Å; S604-H608 VanDerWaalsContact O-CD2 3.29Å
605P86.1Confident76.3Confident91 Ų9177.6 Ų77.659%0.59140%0.4SS*.G310 helixtrans-54.4-29.4-178.7-26.234.6000114.1T603 Y607 H608 T609T603-P605 WeakPolarHBondContact O-CD 3.5Å; P605-Y607 PolarHBondContact O-N 2.9Å; P605-Y607 VanDerWaalsContact O-N 3.07Å; P605-H608 PolarHBondContact O-N 2.83Å; P605-T609 PolarHBondContact O-N 3.09Å
606E85.9Confident73.8Confident104 Ų10481.9 Ų81.949%0.48642%0.422SS..G310 helixtrans-57-19.7178.657.3-90.2-157.200114.5S604S604-E606 VanDerWaalsContact C-OE2 3.32Å; S604-E606 VanDerWaalsContact CB-CD 3.41Å; S604-E606 WeakPolarHBondContact CB-OE1 3.42Å; S604-E606 PolarHBondContact O-N 3.23Å; S604-E606 VanDerWaalsContact O-N 3.11Å; S604-E606 PolarHBondContact OG-OE1 2.95Å
607Y84.2Confident71.1Confident23 Ų2386 Ų869%0.0945%0.451CS..G310 helixtrans-99.9-2.5177.4-48.3-52.3000114.1I561 D562 Y600 Y601 S604 P605I561-Y607 HydrophobicContact CB-CE1 4.49Å; I561-Y607 HydrophobicContact CG2-CD1 3.65Å; I561-Y607 HydrophobicContact CG2-CD2 4.32Å; I561-Y607 HydrophobicContact CG2-CE1 3.3Å; I561-Y607 HydrophobicContact CG2-CE2 4.02Å; I561-Y607 HydrophobicContact CG2-CG 4.15Å; I561-Y607 VanDerWaalsContact CG2-CZ 3.49Å; D562-Y607 PolarHBondContact OD1-OH 3.2Å; Y600-Y607 HydrophobicContact CD1-CE2 4.15Å; Y600-Y607 AromaticContact CE1-CE2 3.77Å; Y600-Y607 HydrophobicContact CE1-CE2 3.77Å; Y601-Y607 AromaticContact CD2-CD2 3.91Å; Y601-Y607 HydrophobicContact CD2-CD2 3.91Å; Y601-Y607 HydrophobicContact CD2-CG 4.14Å; Y601-Y607 HydrophobicContact CE2-CG 4.4Å; S604-Y607 PolarHBondContact O-N 2.81Å; S604-Y607 VanDerWaalsContact O-N 3.16Å; P605-Y607 PolarHBondContact O-N 2.9Å; P605-Y607 VanDerWaalsContact O-N 3.07Å
608H79.4Confident68.4Low82 Ų8292.9 Ų92.938%0.3849%0.488SS..THydrogen-bonded Turntrans-110.7-15.2-178.9-59.9-66.2000113.4Y601 S604 P605 E610Y601-H608 AromaticContact CE1-CE1 3.87Å; Y601-H608 AromaticContact CE2-CE1 3.94Å; Y601-H608 AromaticContact CZ-CE1 3.61Å; Y601-H608 PolarHBondContact O-NE2 3.37Å; S604-H608 PolarHBondContact O-CD2 3.35Å; S604-H608 VanDerWaalsContact O-CD2 3.29Å; P605-H608 PolarHBondContact O-N 2.83Å; H608-E610 PolarHBondContact O-N 3.34Å; H608-E610 VanDerWaalsContact O-N 3.12Å
609T69.8Low66Low98 Ų98100.7 Ų100.760%0.60152%0.523SS*.SBendtrans-67.8110.4169.347.50000108.2P605 K611P605-T609 PolarHBondContact O-N 3.09Å; T609-K611 PolarHBondContact O-N 3.08Å
610E56.4Low63.3Low184 Ų184106 Ų10686%0.8658%0.577SS**  trans-46.5117.6161.5-73.2179.317300106.7H608 M612H608-E610 PolarHBondContact O-N 3.34Å; H608-E610 VanDerWaalsContact O-N 3.12Å; E610-M612 PolarHBondContact O-N 3.27Å
611K50.6Low61.7Low180 Ų180110.7 Ų110.778%0.78360%0.604SS**  trans-59.7103166.1-75.7-178.2179.7174.40104.4T609 E613T609-K611 PolarHBondContact O-N 3.08Å; K611-E613 PolarHBondContact O-N 2.85Å
612M36.3Very low60Low183 Ų183116.4 Ų116.490%0.90164%0.635SS**  trans-49.5111.5168.2-77.3-176.2168.700105.8E610E610-M612 PolarHBondContact O-N 3.27Å
613E36.4Very low58.3Low171 Ų171118.8 Ų118.880%0.79965%0.651SS**  trans-51.9137.3169.2-75-172.7152.300107.1K611 V615K611-E613 PolarHBondContact O-N 2.85Å; E613-V615 PolarHBondContact O-N 3.1Å
614P39.5Very low56.3Low112 Ų112122.4 Ų122.473%0.72767%0.668SS**  trans-55.2116.7175.721.9-30.1000107.3I616P614-I616 VanDerWaalsContact C-N 3.26Å; P614-I616 PolarHBondContact O-N 2.93Å
615V36.7Very low54.1Low135 Ų135130 Ų13082%0.81871%0.71SS**  trans-58.198.8170.6177.30000105.6E613 S617E613-V615 PolarHBondContact O-N 3.1Å; V615-S617 PolarHBondContact O-N 2.77Å
616I43.4Very low52Low137 Ų137132.6 Ų132.670%0.70372%0.718SS**  trans-67.197.2166.8-59.1176.3000103.7P614 N618P614-I616 VanDerWaalsContact C-N 3.26Å; P614-I616 PolarHBondContact O-N 2.93Å; I616-N618 VanDerWaalsContact C-N 3.26Å; I616-N618 PolarHBondContact O-N 3.39Å
617S39.7Very low49.6Very low88 Ų88134.6 Ų134.662%0.61573%0.734SS**  trans-65.893.1172.960.70000107.4V615 H619V615-S617 PolarHBondContact O-N 2.77Å; S617-H619 PolarHBondContact O-N 2.83Å
618N39.6Very low46.9Very low145 Ų145143.2 Ų143.278%0.77578%0.784SS**  trans-70.681163-75.2-19.3000107.8I616 A620I616-N618 VanDerWaalsContact C-N 3.26Å; I616-N618 PolarHBondContact O-N 3.39Å; N618-A620 PolarHBondContact O-N 2.78Å
619H44.3Very low44.2Very low177 Ų177148.3 Ų148.382%0.81982%0.817SS**  trans-77101.4152.1-84.7-56.4000106.6S617S617-H619 PolarHBondContact O-N 2.83Å
620A37.9Very low41.9Very low170 Ų170152.9 Ų152.9100%1.40584%0.837SS**  trans-59.20167.700000111.5N618N618-A620 PolarHBondContact O-N 2.78Å

Retrieved 620 of 620 residues in 621.7 ms (Link to these results)

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