A0A3Q0KM05_SCHMA Loading...

Subfamily A1A unassigned peptidase (A01 family)

AlphaFold DB , UniProt , Accession A0A3Q0KM05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 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
1M56.5Low50Low245 Ų245153.9 Ų153.9100%1.20781%0.812SS**  0113.60-138.716774.100106.6
2I45.8Very low49.9Very low153 Ų153155.8 Ų155.879%0.78581%0.814SS**  trans-77.3123.1-160-66.8162.4000110.3F4I2-F4 PolarHBondContact O-N 3.09Å
3L49.7Very low50.6Low165 Ų165154.3 Ų154.386%0.86481%0.806SS**  trans-79.8110.1172.8-154.581.9000108.1I5L3-I5 PolarHBondContact O-N 2.92Å
4F49.1Very low51.8Low185 Ų185154.1 Ų154.181%0.81181%0.805SS**  trans-71.7119.8176.4-93.3-92.8000110.5I2 I6I2-F4 PolarHBondContact O-N 3.09Å; F4-I6 PolarHBondContact O-N 2.64Å
5I53.5Low53.8Low148 Ų148146.9 Ų146.976%0.75977%0.772SS**  trans-74.9110.9166.6-64.4172.4000107.3L3 V7L3-I5 PolarHBondContact O-N 2.92Å; I5-V7 HydrophobicContact CG2-CG2 4Å; I5-V7 PolarHBondContact O-N 3.1Å
6I52Low55.8Low160 Ų160142 Ų14282%0.82174%0.744SS**  trans-76.6101.2165.4-62.9175.5000106.7F4 G8F4-I6 PolarHBondContact O-N 2.64Å; I6-G8 PolarHBondContact O-N 3.07Å
7V51.2Low57.9Low119 Ų119138.9 Ų138.972%0.72173%0.727SS**  trans-73.8102.5164.7-179.90000106.6I5 F9I5-V7 HydrophobicContact CG2-CG2 4Å; I5-V7 PolarHBondContact O-N 3.1Å; V7-F9 PolarHBondContact O-N 3.45Å
8G43.5Very low60Low61 Ų61131.5 Ų131.563%0.62969%0.688SS**  trans-61.8116.1172.900000110.4I6 L10I6-G8 PolarHBondContact O-N 3.07Å; G8-L10 PolarHBondContact O-N 2.98Å; G8-L10 VanDerWaalsContact O-N 3.07Å
9F51Low61.8Low207 Ų207129.1 Ų129.191%0.90867%0.672SS**  trans-64.3100160.8-106.3-101.3000107.6V7 P11V7-F9 PolarHBondContact O-N 3.45Å; F9-P11 WeakPolarHBondContact O-CD 3.33Å
10L48.1Very low63.4Low153 Ų153122.8 Ų122.880%0.80164%0.639SS**  trans-66117.4159.8-105.3132.8000106.4G8 Q12G8-L10 PolarHBondContact O-N 2.98Å; G8-L10 VanDerWaalsContact O-N 3.07Å; L10-Q12 PolarHBondContact O-N 3.27Å
11P49.9Very low64.8Low97 Ų97119.5 Ų119.563%0.6363%0.625SS**  trans-60.3118168.425.6-28.6000105.6F9 L13F9-P11 WeakPolarHBondContact O-CD 3.33Å; P11-L13 VanDerWaalsContact C-N 3.25Å; P11-L13 PolarHBondContact O-N 3.47Å
12Q49Very low66.5Low177 Ų177108 Ų10883%0.82757%0.569SS**  trans-56.2104.5160.8-76.6172.2-22.700105L10 L14L10-Q12 PolarHBondContact O-N 3.27Å; Q12-L14 PolarHBondContact O-N 3.01Å
13L58Low68.3Low136 Ų136103.1 Ų103.171%0.71254%0.543SS*.  trans-63.686.5174.4-84.2157.8000106.3P11 C15 N203P11-L13 VanDerWaalsContact C-N 3.25Å; P11-L13 PolarHBondContact O-N 3.47Å; L13-C15 PolarHBondContact O-N 2.71Å; L13-N203 PolarHBondContact O-ND2 2.88Å
14L68.4Low69.6Low151 Ų15197.5 Ų97.579%0.79152%0.516SS*.PPolyproline II helixtrans-56127.7174.3-70168.6000107.4Q12 E16 N203Q12-L14 PolarHBondContact O-N 3.01Å; L14-E16 PolarHBondContact O-N 2.63Å; L14-N203 PolarHBondContact O-ND2 3.09Å
15C80.7Confident70.6Confident47 Ų4789.3 Ų89.332%0.31848%0.481SS..PPolyproline II helixtrans-58.1134.2173.2-72.20000109.1L13 I17 N203 D205L13-C15 PolarHBondContact O-N 2.71Å; C15-I17 PolarHBondContact O-N 3.09Å; C15-N203 CarbonylContact C-O 3.53Å; C15-N203 VanDerWaalsContact CA-O 3.26Å; C15-N203 WeakPolarHBondContact CA-O 3.04Å; C15-D205 PolarHBondContact SG-OD1 2.83Å; C15-D205 VanDerWaalsContact SG-OD1 3.34Å
16E86.7Confident70.8Confident68 Ų6888 Ų8832%0.31847%0.471SS..PPolyproline II helixtrans-67.1125.5173.9-172.3171.4-178.800108.7L14 V18 S150 L151 V202 N203 M204L14-E16 PolarHBondContact O-N 2.63Å; E16-V18 HydrophobicContact CG-CG2 4.05Å; E16-S150 WeakPolarHBondContact OE1-CB 3.45Å; E16-S150 PolarHBondContact OE1-OG 2.97Å; E16-L151 HydrophobicContact CG-CD2 4.33Å; E16-L151 WeakPolarHBondContact OE1-CD2 3.4Å; E16-V202 HydrophobicContact CB-CG1 4.39Å; E16-V202 WeakPolarHBondContact OE2-CG1 3.44Å; E16-N203 PolarHBondContact N-O 3.35Å; E16-M204 HydrophobicContact CB-CE 4.49Å; E16-M204 WeakPolarHBondContact O-CE 3.34Å
17I91.8Very high70.8Confident90 Ų9084.2 Ų84.246%0.46245%0.449SS..  trans-118.9124.3176.5-63.2177000107.5C15 V225 L226C15-I17 PolarHBondContact O-N 3.09Å; I17-V225 HydrophobicContact CG2-CG1 3.46Å; I17-V225 VanDerWaalsContact CG2-CG1 3.46Å; I17-L226 WeakPolarHBondContact CA-O 3.38Å
18V94.5Very high70.3Confident5 Ų579.9 Ų79.93%0.0342%0.423CS..EExtended strand (participates in β ladder)trans-119.5117.3-179.2179.10000110.5E16 I20 N149 L151 M204 V225 L226E16-V18 HydrophobicContact CG-CG2 4.05Å; V18-I20 HydrophobicContact CG1-CG1 4.46Å; V18-N149 HydrophobicContact CG1-CB 3.82Å; V18-L151 HydrophobicContact CB-CD1 3.98Å; V18-L151 HydrophobicContact CB-CG 4.32Å; V18-L151 HydrophobicContact CG1-CD1 4.26Å; V18-L151 HydrophobicContact CG1-CG 4.48Å; V18-L151 HydrophobicContact CG2-CD1 3.83Å; V18-L151 HydrophobicContact CG2-CD2 3.88Å; V18-L151 HydrophobicContact CG2-CG 3.69Å; V18-M204 HydrophobicContact CG2-CE 4.25Å; V18-V225 CarbonylContact O-C 3.58Å; V18-V225 WeakPolarHBondContact O-CA 3.41Å; V18-L226 HydrophobicContact CB-CB 4.35Å; V18-L226 PolarHBondContact N-O 2.03Å; V18-L226 PolarHBondContact O-N 3.27Å
19K94.9Very high70.1Confident86 Ų8683.9 Ų83.937%0.37443%0.431SS..EExtended strand (participates in β ladder)trans-94.2130.7177.8-57.5-177.1-179.6-168.70110N149 E223 M224 V225 N230K19-N149 PolarHBondContact O-ND2 3.26Å; K19-E223 HydrophobicContact CB-CG 4.28Å; K19-M224 CarbonylContact C-O 3.53Å; K19-V225 HydrophobicContact CG-CG1 4.45Å; K19-V225 HydrophobicContact CG-CG2 4.28Å; K19-N230 PolarHBondContact NZ-ND2 3.11Å
20I94.5Very high69.6Low2 Ų276 Ų761%0.0140%0.401CS..EExtended strand (participates in β ladder)trans-119.9111.4-178.2-51.7167.1000106.7V18 L22 F86 I148 E223 M224 L226V18-I20 HydrophobicContact CG1-CG1 4.46Å; I20-L22 PolarHBondContact O-N 2.84Å; I20-F86 HydrophobicContact CD1-CE1 4.46Å; I20-F86 HydrophobicContact CD1-CE2 4.45Å; I20-F86 HydrophobicContact CD1-CZ 4.01Å; I20-F86 HydrophobicContact CG2-CE2 4.15Å; I20-F86 HydrophobicContact CG2-CZ 4.47Å; I20-I148 HydrophobicContact CD1-CG2 3.47Å; I20-I148 VanDerWaalsContact CD1-CG2 3.47Å; I20-I148 HydrophobicContact CG1-CG2 3.74Å; I20-E223 WeakPolarHBondContact O-CA 3.36Å; I20-M224 HydrophobicContact CB-CB 4.29Å; I20-M224 HydrophobicContact CD1-CE 4.34Å; I20-M224 HydrophobicContact CD1-CG 4.3Å; I20-M224 HydrophobicContact CD1-SD 4.12Å; I20-M224 PolarHBondContact N-O 3.04Å; I20-M224 PolarHBondContact O-N 3.43Å; I20-L226 HydrophobicContact CD1-CD1 3.93Å; I20-L226 HydrophobicContact CD1-CG 4.18Å
21P92.7Very high69.2Low55 Ų5575.8 Ų75.836%0.35740%0.4SS..EExtended strand (participates in β ladder)trans-63.4134.1173.427.5-32.9000109.1
22L91Very high68.7Low4 Ų475.3 Ų75.32%0.02139%0.392CS..EExtended strand (participates in β ladder)trans-105132.5174.9-60.6178000108.8I20 Y70 F86 F210 L212 G221 G222 M224I20-L22 PolarHBondContact O-N 2.84Å; L22-Y70 CarbonylContact C-O 3.58Å; L22-Y70 WeakPolarHBondContact CA-O 3.49Å; L22-F86 HydrophobicContact CD2-CD2 4.15Å; L22-F86 HydrophobicContact CD2-CE2 4.5Å; L22-F210 HydrophobicContact CD1-CD1 3.7Å; L22-F210 HydrophobicContact CD1-CE1 3.81Å; L22-L212 HydrophobicContact CD1-CD2 4.03Å; L22-G221 CarbonylContact O-C 3.42Å; L22-G221 WeakPolarHBondContact O-CA 3.46Å; L22-G221 PolarHBondContact O-N 2.93Å; L22-G222 PolarHBondContact N-O 2.93Å; L22-G222 PolarHBondContact O-N 2.95Å; L22-M224 HydrophobicContact CD1-CB 4.1Å; L22-M224 HydrophobicContact CD2-CB 4.18Å; L22-M224 HydrophobicContact CG-CB 4.24Å
23H84.4Confident68.4Low50 Ų5067.1 Ų67.123%0.23135%0.354CS..EExtended strand (participates in β ladder)trans-109.7136.9179.5-61-76.3000109L25 Y69 Y70 P219H23-L25 PolarHBondContact O-N 3.37Å; H23-Y69 CarbonylContact O-C 3.51Å; H23-Y69 VanDerWaalsContact O-CA 3.25Å; H23-Y69 WeakPolarHBondContact O-CA 3.42Å; H23-Y70 HydrophobicContact CB-CD1 4.14Å; H23-Y70 HydrophobicContact CB-CD2 4.48Å; H23-Y70 HydrophobicContact CB-CE1 3.61Å; H23-Y70 HydrophobicContact CB-CE2 3.98Å; H23-Y70 PolarHBondContact N-O 2.97Å; H23-Y70 VanDerWaalsContact O-CD1 3.28Å; H23-Y70 WeakPolarHBondContact O-CD1 3.44Å; H23-Y70 PolarHBondContact O-N 2.69Å; H23-P219 PolarHBondContact ND1-O 2.61Å
24P77.2Confident67.6Low46 Ų4663.3 Ų63.330%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-63.7140.4172.929.7-31.2000108.2E26 Y69P24-E26 PolarHBondContact O-N 3.32Å; P24-Y69 HydrophobicContact CB-CD1 4.37Å; P24-Y69 HydrophobicContact CB-CE1 4.29Å
25L69.6Low66.2Low14 Ų1463 Ų637%0.07332%0.322CS..  trans-63.7104.3167.5-72.4168.8000107.8H23 K27 Q68 Y70 K173 Y174H23-L25 PolarHBondContact O-N 3.37Å; L25-K27 PolarHBondContact O-N 3.28Å; L25-Q68 HydrophobicContact CD1-CB 4.14Å; L25-Q68 WeakPolarHBondContact CG-O 3.48Å; L25-Q68 PolarHBondContact N-O 2.83Å; L25-Y70 HydrophobicContact CD2-CD1 3.47Å; L25-Y70 VanDerWaalsContact CD2-CD1 3.47Å; L25-Y70 HydrophobicContact CD2-CE1 4.09Å; L25-Y70 HydrophobicContact CD2-CG 4.26Å; L25-Y70 HydrophobicContact CG-CD1 3.99Å; L25-K173 HydrophobicContact CD2-CB 4.19Å; L25-Y174 HydrophobicContact CD1-CD1 3.89Å; L25-Y174 HydrophobicContact CD2-CD1 4.28Å
26E58.1Low64.4Low121 Ų12161.6 Ų61.657%0.56531%0.312SS*.  trans-55.7132178.2-74.3-179.816300110P24 S28 K173P24-E26 PolarHBondContact O-N 3.32Å; E26-S28 PolarHBondContact O-N 2.03Å; E26-S28 VanDerWaalsContact O-N 3.13Å; E26-K173 IonicContact OE2-NZ 3.93Å; E26-K173 PolarHBondContact OE2-NZ 2.87Å
27K51.2Low62.3Low80 Ų8060.7 Ų60.735%0.34831%0.313SS..  trans-51123.8163.8-71.9-179.7177.6176.80107.6L25 D29 Y336L25-K27 PolarHBondContact O-N 3.28Å; K27-D29 PolarHBondContact O-N 3.27Å; K27-D29 VanDerWaalsContact O-N 3.1Å; K27-Y336 PolarHBondContact NZ-O 3.41Å
28S41.7Very low59.5Low27 Ų2761.7 Ų61.719%0.18931%0.312CS..  trans-65.7109.7158.1171.40000106.5E26 S30 A33E26-S28 PolarHBondContact O-N 2.03Å; E26-S28 VanDerWaalsContact O-N 3.13Å; S28-S30 PolarHBondContact O-N 2.73Å; S28-S30 WeakPolarHBondContact OG-CB 3.47Å; S28-S30 PolarHBondContact OG-N 3.22Å; S28-S30 PolarHBondContact OG-OG 3.19Å; S28-A33 VanDerWaalsContact CB-CB 3.43Å; S28-A33 VanDerWaalsContact OG-CB 3.3Å; S28-A33 WeakPolarHBondContact OG-CB 3.39Å
29D38.8Very low56.8Low146 Ų14667.4 Ų67.478%0.78134%0.337SS*.  trans-65.81.1170.2-71.8-27.7000112K27 L31K27-D29 PolarHBondContact O-N 3.27Å; K27-D29 VanDerWaalsContact O-N 3.1Å; D29-L31 PolarHBondContact O-N 3.13Å
30S41.2Very low54.1Low41 Ų4169.7 Ų69.729%0.28734%0.343SS..  trans-64131.9176.776.70000110S28 L32 A33 H34S28-S30 PolarHBondContact O-N 2.73Å; S28-S30 WeakPolarHBondContact OG-CB 3.47Å; S28-S30 PolarHBondContact OG-N 3.22Å; S28-S30 PolarHBondContact OG-OG 3.19Å; S30-L32 PolarHBondContact O-N 3.22Å; S30-L32 VanDerWaalsContact O-N 3.08Å; S30-A33 PolarHBondContact O-N 3.14Å; S30-A33 VanDerWaalsContact OG-CB 3.27Å; S30-A33 WeakPolarHBondContact OG-CB 3.43Å; S30-A33 PolarHBondContact OG-N 3.42Å; S30-H34 PolarHBondContact O-N 3.48Å; S30-H34 VanDerWaalsContact O-N 3.08Å
31L39.5Very low51.3Low148 Ų14874.5 Ų74.578%0.77537%0.374SS*.Hα-helixtrans-47.7-36.6169.2-87.1164.7000111.3D29 H34 Y35D29-L31 PolarHBondContact O-N 3.13Å; L31-H34 PolarHBondContact O-N 2.91Å; L31-Y35 WeakPolarHBondContact O-CB 3.39Å; L31-Y35 PolarHBondContact O-N 3.41Å
32L39.3Very low48.8Very low88 Ų8873.6 Ų73.646%0.46137%0.369SS..Hα-helixtrans-64.5-46.7178.4-163.472.1000111.8S30 H34 Y35 T36 F170S30-L32 PolarHBondContact O-N 3.22Å; S30-L32 VanDerWaalsContact O-N 3.08Å; L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 3.39Å; L32-Y35 CarbonylContact O-C 3.52Å; L32-Y35 PolarHBondContact O-N 3.31Å; L32-Y35 VanDerWaalsContact O-N 3.1Å; L32-T36 HydrophobicContact CG-CG2 4.35Å; L32-T36 VanDerWaalsContact O-CG2 3.24Å; L32-T36 WeakPolarHBondContact O-CG2 3.44Å; L32-T36 PolarHBondContact O-N 3.04Å; L32-T36 PolarHBondContact O-OG1 2.82Å; L32-T36 VanDerWaalsContact O-OG1 3.11Å; L32-F170 HydrophobicContact CD2-CD1 4.02Å; L32-F170 HydrophobicContact CD2-CE1 3.69Å; L32-F170 HydrophobicContact CD2-CZ 4.06Å
33A41.9Very low46.1Very low5 Ų582.2 Ų82.24%0.04141%0.406CS..Hα-helixtrans-62.6-37.6176.500000112.7S28 S30 T36 S37 T171S28-A33 VanDerWaalsContact CB-CB 3.43Å; S28-A33 VanDerWaalsContact OG-CB 3.3Å; S28-A33 WeakPolarHBondContact OG-CB 3.39Å; S30-A33 PolarHBondContact O-N 3.14Å; S30-A33 VanDerWaalsContact OG-CB 3.27Å; S30-A33 WeakPolarHBondContact OG-CB 3.43Å; S30-A33 PolarHBondContact OG-N 3.42Å; A33-T36 WeakPolarHBondContact CA-OG1 3Å; A33-T36 PolarHBondContact O-OG1 3.09Å; A33-T36 VanDerWaalsContact O-OG1 3.07Å; A33-S37 WeakPolarHBondContact O-CB 3.4Å; A33-S37 PolarHBondContact O-N 2.84Å; A33-S37 PolarHBondContact O-OG 3Å; A33-T171 VanDerWaalsContact CA-CG2 3.46Å; A33-T171 HydrophobicContact CB-CG2 3.37Å
34H41.9Very low43.8Very low56 Ų5684.8 Ų84.826%0.25941%0.414SS..Hα-helixtrans-64.6-47.4169.8-95.90000111.4S30 L31 L32 T36 S37 Y38S30-H34 PolarHBondContact O-N 3.48Å; S30-H34 VanDerWaalsContact O-N 3.08Å; L31-H34 PolarHBondContact O-N 2.91Å; L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 3.39Å; H34-T36 PolarHBondContact O-N 3.2Å; H34-S37 CarbonylContact O-C 3.58Å; H34-S37 PolarHBondContact O-N 3.3Å; H34-S37 PolarHBondContact O-OG 3.27Å; H34-Y38 VanDerWaalsContact O-CB 3.29Å; H34-Y38 WeakPolarHBondContact O-CB 3.41Å; H34-Y38 PolarHBondContact O-N 3.44Å
35Y38.8Very low41.6Very low144 Ų14491.5 Ų91.557%0.56544%0.439SS*.Hα-helixtrans-63.3-40.1-178.4-147.6-91.6000112.5L31 L32 Y38 F39L31-Y35 WeakPolarHBondContact O-CB 3.39Å; L31-Y35 PolarHBondContact O-N 3.41Å; L32-Y35 CarbonylContact O-C 3.52Å; L32-Y35 PolarHBondContact O-N 3.31Å; L32-Y35 VanDerWaalsContact O-N 3.1Å; Y35-Y38 PolarHBondContact O-N 2.85Å; Y35-Y38 VanDerWaalsContact O-N 3.15Å; Y35-F39 AromaticContact CD1-CD2 3.45Å; Y35-F39 HydrophobicContact CD1-CD2 3.45Å; Y35-F39 VanDerWaalsContact CD1-CD2 3.45Å; Y35-F39 AromaticContact CD1-CE2 3.99Å; Y35-F39 HydrophobicContact CD1-CE2 3.99Å; Y35-F39 HydrophobicContact CD1-CG 4.29Å; Y35-F39 HydrophobicContact CD2-CD2 4.02Å; Y35-F39 AromaticContact CD2-CE2 3.79Å; Y35-F39 HydrophobicContact CD2-CE2 3.79Å; Y35-F39 AromaticContact CE1-CD2 3.33Å; Y35-F39 HydrophobicContact CE1-CD2 3.33Å; Y35-F39 AromaticContact CE1-CE2 3.61Å; Y35-F39 HydrophobicContact CE1-CE2 3.61Å; Y35-F39 HydrophobicContact CE1-CG 4.02Å; Y35-F39 HydrophobicContact CE1-CZ 4.47Å; Y35-F39 AromaticContact CE2-CD2 3.93Å; Y35-F39 HydrophobicContact CE2-CD2 3.93Å; Y35-F39 AromaticContact CE2-CE2 3.4Å; Y35-F39 HydrophobicContact CE2-CE2 3.4Å; Y35-F39 HydrophobicContact CE2-CZ 4.27Å; Y35-F39 AromaticContact CG-CD2 3.79Å; Y35-F39 HydrophobicContact CG-CD2 3.79Å; Y35-F39 HydrophobicContact CG-CE2 4.07Å; Y35-F39 AromaticContact CZ-CD2 3.58Å; Y35-F39 AromaticContact CZ-CE2 3.29Å; Y35-F39 AromaticContact CZ-CZ 3.98Å; Y35-F39 WeakPolarHBondContact O-CD2 3.14Å; Y35-F39 PolarHBondContact O-N 2.78Å
36T42.9Very low39.5Very low17 Ų1795 Ų9510%0.10446%0.464CS..Hα-helixtrans-67.5-40.6177.155.80000111.2L32 A33 H34 Y38 L167L32-T36 HydrophobicContact CG-CG2 4.35Å; L32-T36 VanDerWaalsContact O-CG2 3.24Å; L32-T36 WeakPolarHBondContact O-CG2 3.44Å; L32-T36 PolarHBondContact O-N 3.04Å; L32-T36 PolarHBondContact O-OG1 2.82Å; L32-T36 VanDerWaalsContact O-OG1 3.11Å; A33-T36 WeakPolarHBondContact CA-OG1 3Å; A33-T36 PolarHBondContact O-OG1 3.09Å; A33-T36 VanDerWaalsContact O-OG1 3.07Å; H34-T36 PolarHBondContact O-N 3.2Å; T36-Y38 VanDerWaalsContact C-N 3.25Å; T36-Y38 PolarHBondContact O-N 2.82Å; T36-L167 HydrophobicContact CG2-CB 4.09Å; T36-L167 HydrophobicContact CG2-CD2 3.29Å; T36-L167 HydrophobicContact CG2-CG 4.29Å
37S41.8Very low38Very low49 Ų4995.5 Ų95.534%0.34347%0.468SS..Hα-helixtrans-67.4-25.2171.375.30000113.3A33 H34 I299A33-S37 WeakPolarHBondContact O-CB 3.4Å; A33-S37 PolarHBondContact O-N 2.84Å; A33-S37 PolarHBondContact O-OG 3Å; H34-S37 CarbonylContact O-C 3.58Å; H34-S37 PolarHBondContact O-N 3.3Å; H34-S37 PolarHBondContact O-OG 3.27Å; S37-I299 WeakPolarHBondContact O-CG2 3.49Å
38Y34.6Very low37.2Very low111 Ų11193.6 Ų93.644%0.43546%0.459SS..Hα-helixtrans-85.5-32-175.7-131.1-93.6000113.7H34 Y35 T36 I299H34-Y38 VanDerWaalsContact O-CB 3.29Å; H34-Y38 WeakPolarHBondContact O-CB 3.41Å; H34-Y38 PolarHBondContact O-N 3.44Å; Y35-Y38 PolarHBondContact O-N 2.85Å; Y35-Y38 VanDerWaalsContact O-N 3.15Å; T36-Y38 VanDerWaalsContact C-N 3.25Å; T36-Y38 PolarHBondContact O-N 2.82Å; Y38-I299 HydrophobicContact CD1-CD1 4.29Å; Y38-I299 HydrophobicContact CD2-CD1 3.61Å; Y38-I299 HydrophobicContact CD2-CG1 4.48Å; Y38-I299 HydrophobicContact CE1-CD1 3.94Å; Y38-I299 HydrophobicContact CE1-CG1 4.42Å; Y38-I299 HydrophobicContact CE2-CD1 3.2Å; Y38-I299 HydrophobicContact CE2-CG1 4.36Å; Y38-I299 HydrophobicContact CG-CD1 4.14Å
39F37.2Very low36.4Very low125 Ų12598.4 Ų98.455%0.54848%0.478SS..Hα-helixtrans-116.62.8-166.3-76-78.1000115.6Y35 P41Y35-F39 AromaticContact CD1-CD2 3.45Å; Y35-F39 HydrophobicContact CD1-CD2 3.45Å; Y35-F39 VanDerWaalsContact CD1-CD2 3.45Å; Y35-F39 AromaticContact CD1-CE2 3.99Å; Y35-F39 HydrophobicContact CD1-CE2 3.99Å; Y35-F39 HydrophobicContact CD1-CG 4.29Å; Y35-F39 HydrophobicContact CD2-CD2 4.02Å; Y35-F39 AromaticContact CD2-CE2 3.79Å; Y35-F39 HydrophobicContact CD2-CE2 3.79Å; Y35-F39 AromaticContact CE1-CD2 3.33Å; Y35-F39 HydrophobicContact CE1-CD2 3.33Å; Y35-F39 AromaticContact CE1-CE2 3.61Å; Y35-F39 HydrophobicContact CE1-CE2 3.61Å; Y35-F39 HydrophobicContact CE1-CG 4.02Å; Y35-F39 HydrophobicContact CE1-CZ 4.47Å; Y35-F39 AromaticContact CE2-CD2 3.93Å; Y35-F39 HydrophobicContact CE2-CD2 3.93Å; Y35-F39 AromaticContact CE2-CE2 3.4Å; Y35-F39 HydrophobicContact CE2-CE2 3.4Å; Y35-F39 HydrophobicContact CE2-CZ 4.27Å; Y35-F39 AromaticContact CG-CD2 3.79Å; Y35-F39 HydrophobicContact CG-CD2 3.79Å; Y35-F39 HydrophobicContact CG-CE2 4.07Å; Y35-F39 AromaticContact CZ-CD2 3.58Å; Y35-F39 AromaticContact CZ-CE2 3.29Å; Y35-F39 AromaticContact CZ-CZ 3.98Å; Y35-F39 WeakPolarHBondContact O-CD2 3.14Å; Y35-F39 PolarHBondContact O-N 2.78Å; F39-P41 WeakPolarHBondContact O-CD 3.45Å
40R39.1Very low36.1Very low135 Ų13597.5 Ų97.551%0.50946%0.464SS..  trans-102.9110.2169.7-119.5-179.7-176.6-175.9-2.2109.4S42 D168R40-S42 PolarHBondContact O-N 3.39Å; R40-D168 IonicContact NH1-OD2 2.71Å
41P33.9Very low35.6Very low103 Ų10399.8 Ų99.867%0.66947%0.473SS*.  trans-60.3123.1158.7-6.320000106.7F39 K43F39-P41 WeakPolarHBondContact O-CD 3.45Å; P41-K43 PolarHBondContact O-N 3.5Å
42S41Very low35.3Very low35 Ų35102.8 Ų102.825%0.24548%0.48CS..  trans-51.1110162.8157.30000106.1R40 R44 D134 E300R40-S42 PolarHBondContact O-N 3.39Å; S42-R44 PolarHBondContact O-N 3.02Å; S42-D134 PolarHBondContact OG-OD1 2.87Å; S42-E300 VanDerWaalsContact CB-OE1 3.26Å; S42-E300 WeakPolarHBondContact CB-OE1 3.36Å; S42-E300 WeakPolarHBondContact CB-OE2 3.04Å; S42-E300 PolarHBondContact N-OE1 3.25Å
43K35.1Very low34.8Very low186 Ų186105.5 Ų105.581%0.80949%0.49SS*.  trans-71.584.9165.7-86-171.4176-178.70105.6P41 K45P41-K43 PolarHBondContact O-N 3.5Å; K43-K45 VanDerWaalsContact C-N 3.31Å; K43-K45 PolarHBondContact O-N 3.19Å
44R35.2Very low34.3Very low103 Ų103113.7 Ų113.739%0.38953%0.533SS..  trans-54.496.8167.4-73.7-175.1-179.8-149.9-7.7108.6S42 S46 R282 A349 D351S42-R44 PolarHBondContact O-N 3.02Å; R44-S46 VanDerWaalsContact C-N 3.33Å; R44-S46 PolarHBondContact O-N 3.2Å; R44-R282 VanDerWaalsContact NH1-NH2 3.2Å; R44-A349 PolarHBondContact NH1-O 3.08Å; R44-A349 PolarHBondContact NH2-O 3.02Å; R44-D351 IonicContact NH1-OD1 2.83Å; R44-D351 IonicContact NH1-OD2 2.72Å
45K30.2Very low33.7Very low188 Ų188117 Ų11782%0.81756%0.558SS**  trans-79.693.4159.3-85.5-175.1175.6178.10106K43 M47K43-K45 VanDerWaalsContact C-N 3.31Å; K43-K45 PolarHBondContact O-N 3.19Å; K45-M47 PolarHBondContact O-N 3.46Å
46S26.8Very low33.2Very low86 Ų86112.4 Ų112.460%0.60155%0.547SS*.  trans-63.2102.7168.860.40000108.8R44R44-S46 VanDerWaalsContact C-N 3.33Å; R44-S46 PolarHBondContact O-N 3.2Å
47M25.8Very low32.6Very low132 Ų132114.5 Ų114.565%0.6556%0.559SS**  trans-152.464.2165.3-158.7175.2-58.500111.3K45 E59K45-M47 PolarHBondContact O-N 3.46Å; M47-E59 VanDerWaalsContact O-CD 3.25Å
48Y34.1Very low32.3Very low41 Ų41114.4 Ų114.416%0.16156%0.558CS.*  trans-87113.6155.7-76-113.5000108.7W50 E59 Q60 L61 L133 S352Y48-W50 VanDerWaalsContact C-N 3.32Å; Y48-W50 PolarHBondContact O-N 3.2Å; Y48-E59 WeakPolarHBondContact CA-OE2 3.32Å; Y48-E59 HydrophobicContact CD1-CB 3.93Å; Y48-E59 WeakPolarHBondContact CD1-OE2 3.5Å; Y48-E59 VanDerWaalsContact CD2-OE2 3.29Å; Y48-E59 WeakPolarHBondContact CD2-OE2 3.02Å; Y48-E59 HydrophobicContact CE1-CB 3.56Å; Y48-E59 VanDerWaalsContact CG-OE2 3.22Å; Y48-Q60 PolarHBondContact OH-O 3.34Å; Y48-L61 HydrophobicContact CE1-CD2 3.56Å; Y48-L133 HydrophobicContact CE2-CD2 3.32Å; Y48-L133 WeakPolarHBondContact OH-CD2 3.32Å; Y48-S352 WeakPolarHBondContact CD2-OG 3.36Å; Y48-S352 WeakPolarHBondContact CE2-OG 3.41Å; Y48-S352 VanDerWaalsContact CG-OG 3.29Å
49Q26.3Very low32.5Very low128 Ų128112.3 Ų112.360%0.59855%0.552SS**  trans-85.279.7161.4-72.6-172.6-13.700109.4N51 S56Q49-N51 PolarHBondContact O-N 2.95Å; Q49-S56 PolarHBondContact O-OG 3.46Å
50W32.2Very low32.8Very low126 Ų126106.9 Ų106.948%0.47753%0.528SS..  trans-71.875158.5-119.396.1000108.3Y48 K52 H245 M248Y48-W50 VanDerWaalsContact C-N 3.32Å; Y48-W50 PolarHBondContact O-N 3.2Å; W50-K52 PolarHBondContact O-N 2.97Å; W50-H245 AromaticContact CH2-NE2 3.68Å; W50-M248 HydrophobicContact CZ2-CE 4.14Å
51N29.4Very low32.8Very low89 Ų89101.1 Ų101.148%0.47651%0.508SS..  trans-75.6126.4-177.1-138.1-2.1000108.4Q49 Q53 S56Q49-N51 PolarHBondContact O-N 2.95Å; N51-Q53 PolarHBondContact O-N 3.1Å; N51-S56 WeakPolarHBondContact CB-OG 3.29Å
52K34.2Very low33.2Very low212 Ų21296.3 Ų96.392%0.92248%0.476SS*.SBendtrans-68.417.7-179.4-125.8176.9-176.5177.10113.2W50W50-K52 PolarHBondContact O-N 2.97Å
53Q28.6Very low33.4Very low145 Ų14595.1 Ų95.168%0.67847%0.467SS*.SBendtrans-138.9135.5-179.3-66.7-173.6-7.400109N51 T55N51-Q53 PolarHBondContact O-N 3.1Å; Q53-T55 PolarHBondContact O-N 3.04Å
54N30.7Very low34Very low176 Ų17688.4 Ų88.494%0.94144%0.438SS*.THydrogen-bonded Turntrans-55.837.3-168.2-90.2-22.9000118.6
55T29.2Very low34.6Very low127 Ų12784.8 Ų84.878%0.77943%0.425SS*.THydrogen-bonded Turntrans-145.49-170.846.80000118.1Q53Q53-T55 PolarHBondContact O-N 3.04Å
56S29.6Very low35.6Very low47 Ų4778.6 Ų78.633%0.32940%0.401SS..SBendtrans-115.5144.1172.359.50000113Q49 N51Q49-S56 PolarHBondContact O-OG 3.46Å; N51-S56 WeakPolarHBondContact CB-OG 3.29Å
57T30.4Very low37Very low60 Ų6076.2 Ų76.237%0.36838%0.381SS..  trans-76.7143.1-160.448.70000113.1E59 K187T57-E59 PolarHBondContact O-N 3.37Å; T57-K187 HydrophobicContact CG2-CD 3.41Å; T57-K187 VanDerWaalsContact CG2-CD 3.41Å; T57-K187 HydrophobicContact CG2-CG 3.92Å; T57-K187 PolarHBondContact OG1-NZ 3.19Å
58P34.7Very low39.1Very low48 Ų4869.9 Ų69.931%0.31235%0.35SS..  trans-61115.5175.4-15.929.9000108.2I91 N247P58-I91 HydrophobicContact CB-CD1 4.36Å; P58-I91 HydrophobicContact CG-CD1 4.23Å; P58-N247 HydrophobicContact CG-CB 4.49Å; P58-N247 WeakPolarHBondContact CG-ND2 3.49Å
59E39.4Very low41.4Very low67 Ų6768.8 Ų68.831%0.31335%0.345SS..  trans-69.2136.6167.5-80.3176.9-167.900108.8M47 Y48 T57 L61M47-E59 VanDerWaalsContact O-CD 3.25Å; Y48-E59 WeakPolarHBondContact CA-OE2 3.32Å; Y48-E59 HydrophobicContact CD1-CB 3.93Å; Y48-E59 WeakPolarHBondContact CD1-OE2 3.5Å; Y48-E59 VanDerWaalsContact CD2-OE2 3.29Å; Y48-E59 WeakPolarHBondContact CD2-OE2 3.02Å; Y48-E59 HydrophobicContact CE1-CB 3.56Å; Y48-E59 VanDerWaalsContact CG-OE2 3.22Å; T57-E59 PolarHBondContact O-N 3.37Å; E59-L61 PolarHBondContact O-N 2.7Å
60Q43.4Very low44.3Very low11 Ų1164.4 Ų64.45%0.05132%0.324CS..  trans-71.1125.8-177.1-60.7-1661.200108.9Y48 I62 S90 D92 V130 Y132Y48-Q60 PolarHBondContact OH-O 3.34Å; Q60-I62 PolarHBondContact O-N 3.03Å; Q60-S90 VanDerWaalsContact OE1-CB 3.27Å; Q60-D92 PolarHBondContact NE2-OD2 3.32Å; Q60-V130 HydrophobicContact CB-CG2 4.49Å; Q60-V130 HydrophobicContact CG-CG2 4.07Å; Q60-V130 VanDerWaalsContact OE1-CG2 3.28Å; Q60-Y132 HydrophobicContact CB-CD1 4.02Å; Q60-Y132 HydrophobicContact CB-CE1 3.55Å; Q60-Y132 HydrophobicContact CG-CE1 4.4Å; Q60-Y132 VanDerWaalsContact OE1-CZ 3.24Å; Q60-Y132 PolarHBondContact OE1-OH 2.92Å
61L37.7Very low47.1Very low14 Ų1458.4 Ų58.47%0.07330%0.301CS..  trans-84.6106.2179.7-57.7174.5000107.8Y48 E59 G89 D272 I359Y48-L61 HydrophobicContact CE1-CD2 3.56Å; E59-L61 PolarHBondContact O-N 2.7Å; L61-G89 PolarHBondContact N-O 2.87Å; L61-D272 VanDerWaalsContact O-OD2 3.11Å; L61-I359 HydrophobicContact CB-CD1 4.47Å; L61-I359 HydrophobicContact CD1-CD1 3.82Å; L61-I359 HydrophobicContact CD1-CG1 4.24Å; L61-I359 HydrophobicContact CD2-CD1 3.73Å; L61-I359 HydrophobicContact CG-CD1 4.21Å
62I43.9Very low50.1Low1 Ų158.7 Ų58.71%0.00530%0.3CS..  trans-143.4118.4165.2-44.4-173.7000110Q60 F64 Y132 L133 I177 G274Q60-I62 PolarHBondContact O-N 3.03Å; I62-F64 HydrophobicContact CB-CD2 4.22Å; I62-F64 HydrophobicContact CB-CE2 3.65Å; I62-F64 HydrophobicContact CB-CZ 4.09Å; I62-F64 HydrophobicContact CD1-CE2 4.27Å; I62-F64 HydrophobicContact CD1-CZ 4.14Å; I62-F64 HydrophobicContact CG2-CD1 4.24Å; I62-F64 HydrophobicContact CG2-CD2 3.64Å; I62-F64 HydrophobicContact CG2-CE1 3.77Å; I62-F64 HydrophobicContact CG2-CE2 3.13Å; I62-F64 HydrophobicContact CG2-CG 4.17Å; I62-F64 HydrophobicContact CG2-CZ 3.19Å; I62-Y132 HydrophobicContact CB-CD1 3.78Å; I62-Y132 HydrophobicContact CB-CE1 4.16Å; I62-Y132 HydrophobicContact CD1-CD1 3.62Å; I62-Y132 HydrophobicContact CD1-CE1 3.06Å; I62-Y132 HydrophobicContact CD1-CE2 4.46Å; I62-Y132 HydrophobicContact CG1-CD1 3.54Å; I62-Y132 HydrophobicContact CG1-CE1 3.41Å; I62-Y132 VanDerWaalsContact CG1-CE1 3.41Å; I62-L133 WeakPolarHBondContact O-CD1 3.44Å; I62-L133 WeakPolarHBondContact O-CG 3.02Å; I62-I177 HydrophobicContact CD1-CD1 3.27Å; I62-I177 HydrophobicContact CD1-CG2 4.19Å; I62-G274 VanDerWaalsContact CG2-O 3.24Å; I62-G274 WeakPolarHBondContact CG2-O 3.06Å
63N45.1Very low53Low10 Ų1048.8 Ų48.85%0.05326%0.257CS..BIsolated β-bridgetrans-109101.9172.4-177.13.7000110.2K65 Q68 L133 G274 T275 L279N63-K65 PolarHBondContact O-N 2.9Å; N63-Q68 PolarHBondContact O-NE2 2.99Å; N63-L133 HydrophobicContact CB-CD1 3.59Å; N63-G274 PolarHBondContact N-O 3.47Å; N63-T275 HydrophobicContact CB-CG2 4.15Å; N63-L279 HydrophobicContact CB-CD1 4.14Å
64F47.8Very low56.3Low45 Ų4543 Ų4320%0.19723%0.232CC..  trans-86.595.5-178.8-69.8-79.6000110.9I62 Q68 L85 Y174 I177I62-F64 HydrophobicContact CB-CD2 4.22Å; I62-F64 HydrophobicContact CB-CE2 3.65Å; I62-F64 HydrophobicContact CB-CZ 4.09Å; I62-F64 HydrophobicContact CD1-CE2 4.27Å; I62-F64 HydrophobicContact CD1-CZ 4.14Å; I62-F64 HydrophobicContact CG2-CD1 4.24Å; I62-F64 HydrophobicContact CG2-CD2 3.64Å; I62-F64 HydrophobicContact CG2-CE1 3.77Å; I62-F64 HydrophobicContact CG2-CE2 3.13Å; I62-F64 HydrophobicContact CG2-CG 4.17Å; I62-F64 HydrophobicContact CG2-CZ 3.19Å; F64-Q68 VanDerWaalsContact CD1-CD 3.5Å; F64-Q68 VanDerWaalsContact CD1-NE2 3.27Å; F64-L85 HydrophobicContact CE1-CD1 4.23Å; F64-Y174 AromaticContact CD1-CE1 3.9Å; F64-Y174 HydrophobicContact CD1-CE1 3.9Å; F64-Y174 AromaticContact CE1-CE1 3.48Å; F64-Y174 HydrophobicContact CE1-CE1 3.48Å; F64-Y174 VanDerWaalsContact CE1-CE1 3.48Å; F64-Y174 HydrophobicContact CE1-CE2 4.31Å; F64-Y174 AromaticContact CE1-CZ 3.37Å; F64-Y174 WeakPolarHBondContact CE1-OH 3.09Å; F64-Y174 HydrophobicContact CZ-CE1 4.26Å; F64-Y174 HydrophobicContact CZ-CE2 4.4Å; F64-Y174 AromaticContact CZ-CZ 3.68Å; F64-Y174 WeakPolarHBondContact CZ-OH 3.43Å; F64-I177 HydrophobicContact CE2-CD1 4.47Å; F64-I177 HydrophobicContact CZ-CD1 3.68Å
65K48.1Very low59.4Low28 Ų2834.6 Ų34.612%0.12219%0.187CC..SBendtrans-113.834.3168.6-70.4-164.6174-173.60114.1N63 L67 E300 R301 E348N63-K65 PolarHBondContact O-N 2.9Å; K65-L67 VanDerWaalsContact C-N 3.3Å; K65-L67 PolarHBondContact O-N 3.21Å; K65-E300 PolarHBondContact NZ-O 3.11Å; K65-R301 PolarHBondContact O-NH2 3.21Å; K65-E348 VanDerWaalsContact CD-OE1 3.27Å; K65-E348 WeakPolarHBondContact CD-OE1 3.43Å; K65-E348 WeakPolarHBondContact CD-OE2 3.44Å; K65-E348 WeakPolarHBondContact CE-OE2 3.44Å; K65-E348 IonicContact NZ-OE1 2.98Å; K65-E348 PolarHBondContact NZ-OE1 3.04Å; K65-E348 IonicContact NZ-OE2 3.07Å; K65-E348 PolarHBondContact NZ-OE2 2.95Å
66N50.5Low62.7Low58 Ų5828.6 Ų28.631%0.3115%0.15SC..SBendtrans5836.5174.7-60.9-40.3000114.1S172N66-S172 PolarHBondContact OD1-OG 3.27Å
67L56.1Low66Low35 Ų3528 Ų2818%0.18315%0.145CC..  trans-129.95-177.3-75.7175.7000114K65 S276 V333K65-L67 VanDerWaalsContact C-N 3.3Å; K65-L67 PolarHBondContact O-N 3.21Å; L67-S276 VanDerWaalsContact CB-CB 3.47Å; L67-V333 HydrophobicContact CD1-CG1 3.85Å
68Q69.7Low69.2Low0 Ų029.1 Ų29.10%015%0.153CC..  trans-87.4173.5-174.5-60.8156.7-17.900112L25 N63 F64 L85 G274L25-Q68 HydrophobicContact CD1-CB 4.14Å; L25-Q68 WeakPolarHBondContact CG-O 3.48Å; L25-Q68 PolarHBondContact N-O 2.83Å; N63-Q68 PolarHBondContact O-NE2 2.99Å; F64-Q68 VanDerWaalsContact CD1-CD 3.5Å; F64-Q68 VanDerWaalsContact CD1-NE2 3.27Å; Q68-L85 HydrophobicContact CB-CD1 3.55Å; Q68-L85 HydrophobicContact CG-CD1 3.84Å; Q68-G274 PolarHBondContact NE2-O 2.87Å
69Y81.9Confident72.1Confident17 Ų1730.4 Ų30.47%0.06716%0.161CC..EExtended strand (participates in β ladder)trans-113.3146.9-177.7-54.8-95.9000112H23 P24 L212 N213 G221 D362 R366H23-Y69 CarbonylContact O-C 3.51Å; H23-Y69 VanDerWaalsContact O-CA 3.25Å; H23-Y69 WeakPolarHBondContact O-CA 3.42Å; P24-Y69 HydrophobicContact CB-CD1 4.37Å; P24-Y69 HydrophobicContact CB-CE1 4.29Å; Y69-L212 HydrophobicContact CD2-CD1 4.25Å; Y69-L212 HydrophobicContact CD2-CD2 3.69Å; Y69-L212 HydrophobicContact CD2-CG 4.49Å; Y69-L212 HydrophobicContact CE2-CB 4.21Å; Y69-L212 HydrophobicContact CE2-CD1 3.87Å; Y69-L212 HydrophobicContact CE2-CD2 3.81Å; Y69-L212 HydrophobicContact CE2-CG 4.18Å; Y69-L212 HydrophobicContact CG-CD2 4.09Å; Y69-N213 PolarHBondContact OH-O 3.28Å; Y69-N213 VanDerWaalsContact OH-O 3.12Å; Y69-G221 WeakPolarHBondContact CE1-O 3.21Å; Y69-D362 HydrophobicContact CE2-CB 4.41Å; Y69-R366 PolarHBondContact OH-NE 2.85Å
70Y87.8Confident74.8Confident36 Ų3628.7 Ų28.714%0.14115%0.153CC..EExtended strand (participates in β ladder)trans-122150.1172.571.1-87.3000111.1L22 H23 L25 R83 V84L22-Y70 CarbonylContact C-O 3.58Å; L22-Y70 WeakPolarHBondContact CA-O 3.49Å; H23-Y70 HydrophobicContact CB-CD1 4.14Å; H23-Y70 HydrophobicContact CB-CD2 4.48Å; H23-Y70 HydrophobicContact CB-CE1 3.61Å; H23-Y70 HydrophobicContact CB-CE2 3.98Å; H23-Y70 PolarHBondContact N-O 2.97Å; H23-Y70 VanDerWaalsContact O-CD1 3.28Å; H23-Y70 WeakPolarHBondContact O-CD1 3.44Å; H23-Y70 PolarHBondContact O-N 2.69Å; L25-Y70 HydrophobicContact CD2-CD1 3.47Å; L25-Y70 VanDerWaalsContact CD2-CD1 3.47Å; L25-Y70 HydrophobicContact CD2-CE1 4.09Å; L25-Y70 HydrophobicContact CD2-CG 4.26Å; L25-Y70 HydrophobicContact CG-CD1 3.99Å; Y70-R83 HydrophobicContact CD2-CB 3.6Å; Y70-R83 HydrophobicContact CD2-CG 3.76Å; Y70-R83 HydrophobicContact CE2-CB 4.07Å; Y70-R83 HydrophobicContact CE2-CG 3.7Å; Y70-R83 HydrophobicContact CG-CB 4.25Å; Y70-V84 CarbonylContact C-O 3.47Å; Y70-V84 WeakPolarHBondContact CA-O 3.41Å; Y70-V84 WeakPolarHBondContact CB-O 3.41Å
71G90.8Very high77.3Confident0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-112.3167.5163.300000110.9R83 V84G71-R83 CarbonylContact O-C 3.58Å; G71-R83 WeakPolarHBondContact O-CA 3.41Å; G71-V84 PolarHBondContact N-O 3.14Å; G71-V84 PolarHBondContact O-N 2.75Å
72E92.6Very high79.9Confident96 Ų9633.7 Ų33.745%0.44917%0.174SC..EExtended strand (participates in β ladder)trans-97.3135.9173.8-64.8-162.413600111L82 R83E72-L82 WeakPolarHBondContact CA-O 3.43Å; E72-R83 HydrophobicContact CG-CG 4.43Å
73I95.2Very high82.1Confident4 Ų436.1 Ų36.12%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-128.9175.8171.467.3168.5000109.3V75 K81 L82 V84 F86 F95 I146 I148 I178I73-V75 HydrophobicContact CD1-CG2 3.95Å; I73-V75 HydrophobicContact CG1-CG2 4.47Å; I73-K81 WeakPolarHBondContact O-CA 3.41Å; I73-L82 HydrophobicContact CG1-CB 4.13Å; I73-L82 PolarHBondContact N-O 2.99Å; I73-L82 PolarHBondContact O-N 3.4Å; I73-V84 HydrophobicContact CB-CG2 4.46Å; I73-V84 HydrophobicContact CD1-CB 4.42Å; I73-V84 HydrophobicContact CD1-CG1 3.58Å; I73-V84 HydrophobicContact CD1-CG2 4.01Å; I73-V84 HydrophobicContact CG1-CG1 3.84Å; I73-V84 HydrophobicContact CG1-CG2 4.02Å; I73-V84 HydrophobicContact CG2-CG2 3.69Å; I73-F86 HydrophobicContact CG2-CZ 3.84Å; I73-F95 HydrophobicContact CD1-CE1 3.83Å; I73-F95 HydrophobicContact CD1-CZ 3.75Å; I73-I146 HydrophobicContact CD1-CG2 4.2Å; I73-I148 HydrophobicContact CB-CG1 4.43Å; I73-I148 HydrophobicContact CG2-CD1 4.2Å; I73-I148 HydrophobicContact CG2-CG1 3.85Å; I73-I178 HydrophobicContact CD1-CD1 3.75Å; I73-I178 HydrophobicContact CD1-CG1 4.45Å; I73-I178 HydrophobicContact CG2-CD1 4.21Å
74S96.9Very high84.2Confident23 Ų2335.7 Ų35.716%0.16118%0.181CC..EExtended strand (participates in β ladder)trans-131145.7165.1-580000112.3Q80 I146 R147S74-Q80 CarbonylContact C-O 3.59Å; S74-Q80 WeakPolarHBondContact CA-O 3.1Å; S74-I146 CarbonylContact O-C 3.53Å; S74-R147 PolarHBondContact N-O 3.17Å; S74-R147 PolarHBondContact O-N 2.77Å
75V97.7Very high86.2Confident0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-126.6136.4-178.4-172.30000109.9I73 Q80 L82 F95 Y113 D144 T145 I146 F158I73-V75 HydrophobicContact CD1-CG2 3.95Å; I73-V75 HydrophobicContact CG1-CG2 4.47Å; V75-Q80 PolarHBondContact N-O 3.08Å; V75-Q80 VanDerWaalsContact O-CB 3.3Å; V75-Q80 WeakPolarHBondContact O-CB 3.46Å; V75-Q80 PolarHBondContact O-N 2.77Å; V75-L82 HydrophobicContact CB-CD1 4.22Å; V75-L82 HydrophobicContact CG2-CD1 3.63Å; V75-L82 HydrophobicContact CG2-CG 4.45Å; V75-F95 HydrophobicContact CG1-CE2 4.33Å; V75-F95 HydrophobicContact CG2-CD2 4.19Å; V75-F95 HydrophobicContact CG2-CE2 3.68Å; V75-F95 HydrophobicContact CG2-CZ 4.05Å; V75-Y113 HydrophobicContact CB-CD2 4.13Å; V75-Y113 HydrophobicContact CB-CE2 4.31Å; V75-Y113 HydrophobicContact CG1-CD2 3.87Å; V75-Y113 HydrophobicContact CG1-CE2 3.68Å; V75-D144 HydrophobicContact CG1-CB 4.11Å; V75-T145 CarbonylContact C-O 3.43Å; V75-T145 WeakPolarHBondContact CA-O 3.07Å; V75-I146 HydrophobicContact CG2-CG1 4.25Å; V75-F158 HydrophobicContact CG1-CE1 4.05Å; V75-F158 HydrophobicContact CG1-CZ 4.08Å
76G97.8Very high88.4Confident0 Ų032.4 Ų32.40%017%0.167CC..THydrogen-bonded Turntrans86.5-178.8176.200000116.1P78 P79 S118 D144 T145 R147G76-P78 CarbonylContact C-O 3.57Å; G76-P78 CarbonylContact O-C 3.39Å; G76-P79 VanDerWaalsContact O-CA 3.32Å; G76-P79 WeakPolarHBondContact O-CA 3.36Å; G76-S118 WeakPolarHBondContact CA-OG 3.47Å; G76-D144 VanDerWaalsContact CA-CG 3.48Å; G76-D144 WeakPolarHBondContact CA-OD1 3.46Å; G76-D144 WeakPolarHBondContact CA-OD2 3.36Å; G76-T145 PolarHBondContact N-O 3.05Å; G76-R147 PolarHBondContact O-NH1 3.07Å
77T97.9Very high90.4Very high36 Ų3629.7 Ų29.722%0.22115%0.152CC..THydrogen-bonded Turntrans-137.1109.3-178.6-550000110.4S118 L119 T120 R147T77-S118 PolarHBondContact N-OG 2.85Å; T77-S118 CarbonylContact O-C 3.6Å; T77-S118 WeakPolarHBondContact O-CA 3.37Å; T77-L119 WeakPolarHBondContact O-CB 3.42Å; T77-L119 WeakPolarHBondContact O-CG 3.29Å; T77-L119 PolarHBondContact O-N 3.12Å; T77-T120 WeakPolarHBondContact CB-OG1 3.37Å; T77-T120 HydrophobicContact CG2-CG2 4.46Å; T77-T120 PolarHBondContact N-OG1 3.38Å; T77-T120 WeakPolarHBondContact OG1-CG2 3.5Å; T77-T120 PolarHBondContact OG1-OG1 3.05Å; T77-R147 PolarHBondContact OG1-NH1 3.42Å
78P97.5Very high92.2Very high83 Ų8328.1 Ų28.154%0.53914%0.144SC..THydrogen-bonded Turncis-62.7154.2127.1-37.1000113.2G76 Q80 K117G76-P78 CarbonylContact C-O 3.57Å; G76-P78 CarbonylContact O-C 3.39Å; P78-Q80 PolarHBondContact O-N 3.38Å; P78-K117 WeakPolarHBondContact CD-O 3.4Å
79P97Very high93Very high74 Ų7428.8 Ų28.848%0.48115%0.151SC..THydrogen-bonded Turntrans-64.3129.5-176.4-2032.1000113.2G76G76-P79 VanDerWaalsContact O-CA 3.32Å; G76-P79 WeakPolarHBondContact O-CA 3.36Å
80Q96.3Very high93.2Very high31 Ų3128 Ų2815%0.14515%0.148CC..EExtended strand (participates in β ladder)trans-102.8116.6174.6-56.3176.555.800109.2S74 V75 P78 D114S74-Q80 CarbonylContact C-O 3.59Å; S74-Q80 WeakPolarHBondContact CA-O 3.1Å; V75-Q80 PolarHBondContact N-O 3.08Å; V75-Q80 VanDerWaalsContact O-CB 3.3Å; V75-Q80 WeakPolarHBondContact O-CB 3.46Å; V75-Q80 PolarHBondContact O-N 2.77Å; P78-Q80 PolarHBondContact O-N 3.38Å; Q80-D114 PolarHBondContact NE2-O 2.97Å
81K94.6Very high93.4Very high127 Ų12727 Ų2755%0.55215%0.145SC*.EExtended strand (participates in β ladder)trans-70.7132.2-178.6-68.7-170.7173.8-162.80111.5I73I73-K81 WeakPolarHBondContact O-CA 3.41Å
82L92.2Very high93.4Very high3 Ų327.7 Ų27.72%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-133.7144.9175.9-58.7178000109.9E72 I73 V75 V84 F95 R111 D175E72-L82 WeakPolarHBondContact CA-O 3.43Å; I73-L82 HydrophobicContact CG1-CB 4.13Å; I73-L82 PolarHBondContact N-O 2.99Å; I73-L82 PolarHBondContact O-N 3.4Å; V75-L82 HydrophobicContact CB-CD1 4.22Å; V75-L82 HydrophobicContact CG2-CD1 3.63Å; V75-L82 HydrophobicContact CG2-CG 4.45Å; L82-V84 HydrophobicContact CB-CG1 4.3Å; L82-F95 HydrophobicContact CD1-CB 3.97Å; L82-F95 HydrophobicContact CD1-CD1 3.79Å; L82-F95 HydrophobicContact CD1-CD2 3.92Å; L82-F95 HydrophobicContact CD1-CE1 4.36Å; L82-F95 HydrophobicContact CD1-CE2 4.44Å; L82-F95 HydrophobicContact CD1-CG 3.59Å; L82-R111 WeakPolarHBondContact CD2-O 3.19Å; L82-D175 HydrophobicContact CB-CB 4.2Å; L82-D175 HydrophobicContact CD2-CB 4.05Å
83R89.7Confident93.4Very high53 Ų5323.2 Ų23.220%0.213%0.128CC..EExtended strand (participates in β ladder)trans-93.9126.4170.6-63166.1-6517011.9108.6Y70 G71 E72 K173 D175 G176Y70-R83 HydrophobicContact CD2-CB 3.6Å; Y70-R83 HydrophobicContact CD2-CG 3.76Å; Y70-R83 HydrophobicContact CE2-CB 4.07Å; Y70-R83 HydrophobicContact CE2-CG 3.7Å; Y70-R83 HydrophobicContact CG-CB 4.25Å; G71-R83 CarbonylContact O-C 3.58Å; G71-R83 WeakPolarHBondContact O-CA 3.41Å; E72-R83 HydrophobicContact CG-CG 4.43Å; R83-K173 PolarHBondContact NE-O 2.91Å; R83-K173 VanDerWaalsContact NE-O 3.13Å; R83-K173 PolarHBondContact NH1-O 3.04Å; R83-K173 PolarHBondContact NH2-O 2.75Å; R83-D175 WeakPolarHBondContact CB-OD2 3.44Å; R83-D175 IonicContact CZ-OD1 2.94Å; R83-D175 IonicContact CZ-OD2 3.89Å; R83-D175 PolarHBondContact N-OD2 2.86Å; R83-D175 IonicContact NE-OD1 3.74Å; R83-D175 IonicContact NE-OD2 3.4Å; R83-D175 PolarHBondContact NE-OD2 2.91Å; R83-D175 IonicContact NH2-OD1 3.64Å; R83-D175 PolarHBondContact NH2-OD1 3.08Å; R83-D175 IonicContact NH2-OD2 2.79Å; R83-D175 WeakPolarHBondContact O-CA 3.46Å; R83-D175 PolarHBondContact O-N 3.24Å; R83-G176 PolarHBondContact O-N 3.44Å
84V90.6Very high93.3Very high0 Ų023.1 Ų23.10%013%0.127CC..EExtended strand (participates in β ladder)trans-133.2144.2-173.1-60.70000112Y70 G71 I73 L82 F86 F95 G176 I178Y70-V84 CarbonylContact C-O 3.47Å; Y70-V84 WeakPolarHBondContact CA-O 3.41Å; Y70-V84 WeakPolarHBondContact CB-O 3.41Å; G71-V84 PolarHBondContact N-O 3.14Å; G71-V84 PolarHBondContact O-N 2.75Å; I73-V84 HydrophobicContact CB-CG2 4.46Å; I73-V84 HydrophobicContact CD1-CB 4.42Å; I73-V84 HydrophobicContact CD1-CG1 3.58Å; I73-V84 HydrophobicContact CD1-CG2 4.01Å; I73-V84 HydrophobicContact CG1-CG1 3.84Å; I73-V84 HydrophobicContact CG1-CG2 4.02Å; I73-V84 HydrophobicContact CG2-CG2 3.69Å; L82-V84 HydrophobicContact CB-CG1 4.3Å; V84-F86 HydrophobicContact CG2-CD2 4.39Å; V84-F86 HydrophobicContact CG2-CE1 4.35Å; V84-F86 HydrophobicContact CG2-CE2 3.84Å; V84-F86 HydrophobicContact CG2-CZ 3.82Å; V84-F95 HydrophobicContact CG1-CD1 4.06Å; V84-F95 HydrophobicContact CG1-CE1 3.68Å; V84-G176 VanDerWaalsContact CA-O 3.29Å; V84-G176 WeakPolarHBondContact CA-O 3.39Å; V84-I178 HydrophobicContact CB-CG1 4.34Å; V84-I178 HydrophobicContact CG2-CD1 3.97Å; V84-I178 HydrophobicContact CG2-CG1 4.15Å
85L89.7Confident93Very high1 Ų122 Ų221%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-86.2128.1166.7-172.5151.3000109F64 Q68 G176 I177 I178F64-L85 HydrophobicContact CE1-CD1 4.23Å; Q68-L85 HydrophobicContact CB-CD1 3.55Å; Q68-L85 HydrophobicContact CG-CD1 3.84Å; L85-G176 PolarHBondContact N-O 3.33Å; L85-I177 HydrophobicContact CB-CG1 4.46Å; L85-I177 HydrophobicContact CD2-CG2 4.49Å; L85-I177 WeakPolarHBondContact O-CA 3.47Å; L85-I178 PolarHBondContact O-N 2.62Å
86F93.6Very high92.6Very high4 Ų422 Ų222%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-90.699.2172.1-66.3-85.6000108.6I20 L22 I73 V84 I148 I178 M180 M193 F210 M224 T273I20-F86 HydrophobicContact CD1-CE1 4.46Å; I20-F86 HydrophobicContact CD1-CE2 4.45Å; I20-F86 HydrophobicContact CD1-CZ 4.01Å; I20-F86 HydrophobicContact CG2-CE2 4.15Å; I20-F86 HydrophobicContact CG2-CZ 4.47Å; L22-F86 HydrophobicContact CD2-CD2 4.15Å; L22-F86 HydrophobicContact CD2-CE2 4.5Å; I73-F86 HydrophobicContact CG2-CZ 3.84Å; V84-F86 HydrophobicContact CG2-CD2 4.39Å; V84-F86 HydrophobicContact CG2-CE1 4.35Å; V84-F86 HydrophobicContact CG2-CE2 3.84Å; V84-F86 HydrophobicContact CG2-CZ 3.82Å; F86-I148 HydrophobicContact CE1-CD1 4.19Å; F86-I148 HydrophobicContact CZ-CD1 4.44Å; F86-I178 HydrophobicContact CD1-CB 3.93Å; F86-I178 HydrophobicContact CD1-CD1 4.26Å; F86-I178 HydrophobicContact CD1-CG2 4.01Å; F86-I178 HydrophobicContact CE1-CB 4.23Å; F86-I178 HydrophobicContact CE1-CD1 3.65Å; F86-I178 HydrophobicContact CE1-CG1 4.44Å; F86-I178 HydrophobicContact CE1-CG2 4.31Å; F86-I178 HydrophobicContact CZ-CD1 4.29Å; F86-M180 HydrophobicContact CB-CG 4.05Å; F86-M180 HydrophobicContact CD1-CG 4.19Å; F86-M180 HydrophobicContact CD1-SD 4.21Å; F86-M193 HydrophobicContact CE1-CE 4.33Å; F86-F210 HydrophobicContact CB-CE1 4.34Å; F86-F210 HydrophobicContact CB-CZ 3.87Å; F86-M224 HydrophobicContact CB-SD 3.76Å; F86-M224 HydrophobicContact CD1-CE 4Å; F86-M224 HydrophobicContact CD1-SD 3.66Å; F86-M224 HydrophobicContact CD2-SD 3.85Å; F86-M224 HydrophobicContact CE1-CE 4.37Å; F86-M224 HydrophobicContact CE1-SD 4.16Å; F86-M224 HydrophobicContact CE2-SD 4.33Å; F86-M224 HydrophobicContact CG-CE 4.39Å; F86-M224 HydrophobicContact CG-SD 3.48Å; F86-M224 WeakPolarHBondContact CG-SD 3.34Å; F86-M224 HydrophobicContact CZ-SD 4.47Å; F86-T273 WeakPolarHBondContact O-CB 2.9Å; F86-T273 PolarHBondContact O-OG1 2.8Å
87S92.1Very high92.2Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-103.7117.6-171.8156.20000111.3G89 S90 I178 M180 T273S87-G89 VanDerWaalsContact C-N 3.27Å; S87-G89 PolarHBondContact O-N 3.1Å; S87-G89 PolarHBondContact OG-N 3.44Å; S87-S90 WeakPolarHBondContact CB-OG 3.33Å; S87-S90 PolarHBondContact O-N 3.26Å; S87-S90 PolarHBondContact O-OG 2.75Å; S87-S90 WeakPolarHBondContact OG-CB 3.28Å; S87-S90 PolarHBondContact OG-N 2.7Å; S87-S90 VanDerWaalsContact OG-N 3.08Å; S87-S90 PolarHBondContact OG-OG 3.37Å; S87-I178 PolarHBondContact N-O 2.87Å; S87-M180 WeakPolarHBondContact O-CA 3.29Å; S87-M180 WeakPolarHBondContact O-CB 3.43Å; S87-M180 PolarHBondContact O-N 2.71Å; S87-T273 WeakPolarHBondContact CA-OG1 3.13Å
88T93.6Very high91.6Very high3 Ų323.6 Ų23.62%0.01812%0.122CC..THydrogen-bonded Turntrans-75.6-17.1174.754.70000113M180 S181 F208 F210 I271 D272 T273 F372T88-M180 HydrophobicContact CG2-CB 4.04Å; T88-S181 WeakPolarHBondContact O-CA 3.48Å; T88-F208 HydrophobicContact CG2-CE2 3.83Å; T88-F208 HydrophobicContact CG2-CZ 4.24Å; T88-F210 HydrophobicContact CG2-CE2 4.43Å; T88-I271 PolarHBondContact OG1-O 2.82Å; T88-D272 VanDerWaalsContact OG1-CA 3.26Å; T88-D272 WeakPolarHBondContact OG1-CA 3.1Å; T88-T273 HydrophobicContact CG2-CG2 3.97Å; T88-T273 PolarHBondContact N-OG1 3.21Å; T88-T273 PolarHBondContact OG1-N 2.91Å; T88-T273 PolarHBondContact OG1-OG1 3.33Å; T88-F372 HydrophobicContact CG2-CD1 4.26Å; T88-F372 HydrophobicContact CG2-CD2 4.32Å; T88-F372 HydrophobicContact CG2-CE1 3.87Å; T88-F372 HydrophobicContact CG2-CE2 3.95Å; T88-F372 HydrophobicContact CG2-CG 4.46Å; T88-F372 HydrophobicContact CG2-CZ 3.7Å
89G88Confident91Very high14 Ų1423.7 Ų23.714%0.14411%0.114CC..THydrogen-bonded Turntrans-81.2-8.6171.200000115.8L61 S87 D272L61-G89 PolarHBondContact N-O 2.87Å; S87-G89 VanDerWaalsContact C-N 3.27Å; S87-G89 PolarHBondContact O-N 3.1Å; S87-G89 PolarHBondContact OG-N 3.44Å; G89-D272 WeakPolarHBondContact CA-OD1 3.39Å; G89-D272 PolarHBondContact N-OD1 3.39Å
90S86.4Confident89.9Confident0 Ų021.3 Ų21.30%010%0.098CC..  trans-117147.6179.859.90000112.7Q60 S87 G179 M180 S181Q60-S90 VanDerWaalsContact OE1-CB 3.27Å; S87-S90 WeakPolarHBondContact CB-OG 3.33Å; S87-S90 PolarHBondContact O-N 3.26Å; S87-S90 PolarHBondContact O-OG 2.75Å; S87-S90 WeakPolarHBondContact OG-CB 3.28Å; S87-S90 PolarHBondContact OG-N 2.7Å; S87-S90 VanDerWaalsContact OG-N 3.08Å; S87-S90 PolarHBondContact OG-OG 3.37Å; S90-G179 CarbonylContact O-C 3.58Å; S90-G179 WeakPolarHBondContact O-CA 3.3Å; S90-G179 WeakPolarHBondContact OG-CA 3.22Å; S90-M180 PolarHBondContact O-N 3.04Å; S90-M180 VanDerWaalsContact O-N 3.13Å; S90-S181 WeakPolarHBondContact O-CB 3.43Å; S90-S181 PolarHBondContact O-N 2.82Å
91I90.8Very high88.6Confident16 Ų1627.7 Ų27.78%0.08212%0.121CC..  trans-96.2-43.1-179.6-50-177.9000110.8P58 S181 P192P58-I91 HydrophobicContact CB-CD1 4.36Å; P58-I91 HydrophobicContact CG-CD1 4.23Å; I91-S181 WeakPolarHBondContact CG1-OG 3.28Å; I91-P192 HydrophobicContact CG2-CG 3.82Å
92D90.4Very high87.1Confident14 Ų1428.6 Ų28.68%0.07513%0.126CC..  trans-89.6149.7-171.4-57.7-64.6000112Q60 F128 W141 G179 S186Q60-D92 PolarHBondContact NE2-OD2 3.32Å; D92-F128 HydrophobicContact CB-CE2 3.81Å; D92-F128 HydrophobicContact CB-CZ 4.01Å; D92-W141 HydrophobicContact CB-CH2 4.26Å; D92-G179 PolarHBondContact O-N 3.07Å; D92-S186 WeakPolarHBondContact OD1-CB 3.29Å
93T93.4Very high85.7Confident2 Ų233.3 Ų33.31%0.01215%0.15CC..  trans-97.9137.5170.4-62.30000109.4F95 I146 F158 G159 I177 I178T93-F95 HydrophobicContact CG2-CE1 3.85Å; T93-F95 HydrophobicContact CG2-CE2 4.03Å; T93-F95 HydrophobicContact CG2-CZ 3.42Å; T93-F95 VanDerWaalsContact CG2-CZ 3.42Å; T93-I146 HydrophobicContact CG2-CD1 4.34Å; T93-F158 HydrophobicContact CG2-CB 3.8Å; T93-F158 CarbonylContact O-C 3.54Å; T93-F158 VanDerWaalsContact O-CA 3.22Å; T93-F158 WeakPolarHBondContact O-CA 3.3Å; T93-F158 WeakPolarHBondContact O-CB 3.27Å; T93-G159 PolarHBondContact O-N 3.1Å; T93-I177 CarbonylContact C-O 3.52Å; T93-I177 VanDerWaalsContact CA-O 3.28Å; T93-I177 WeakPolarHBondContact CA-O 3.47Å; T93-I177 WeakPolarHBondContact CG2-O 3.47Å; T93-I178 HydrophobicContact CG2-CG1 3.95Å
94W92.3Very high84.6Confident1 Ų132 Ų320%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-146.3152.1172.163.3-98.3000112.1F128 Y132 L137 G159 M161 I164 Y174 G176 I177W94-F128 HydrophobicContact CB-CE1 4.18Å; W94-F128 HydrophobicContact CB-CZ 4.33Å; W94-Y132 HydrophobicContact CZ2-CE2 4.06Å; W94-Y132 AromaticContact NE1-CE2 3.59Å; W94-Y132 AromaticContact NE1-CZ 3.54Å; W94-Y132 PolarHBondContact NE1-OH 3.25Å; W94-L137 HydrophobicContact CH2-CD1 4.01Å; W94-L137 HydrophobicContact CZ2-CD1 3.78Å; W94-G159 CarbonylContact C-O 3.58Å; W94-G159 WeakPolarHBondContact CA-O 3.38Å; W94-G159 WeakPolarHBondContact CB-O 3.47Å; W94-M161 HydrophobicContact CB-CE 3.68Å; W94-M161 HydrophobicContact CB-CG 4.09Å; W94-M161 HydrophobicContact CB-SD 4.35Å; W94-M161 HydrophobicContact CD2-CG 3.8Å; W94-M161 HydrophobicContact CE3-CB 4.42Å; W94-M161 HydrophobicContact CE3-CG 3.5Å; W94-M161 VanDerWaalsContact CE3-CG 3.5Å; W94-M161 HydrophobicContact CG-CE 4.41Å; W94-M161 HydrophobicContact CG-CG 4.1Å; W94-M161 HydrophobicContact CG-SD 4.48Å; W94-M161 HydrophobicContact CZ3-CG 4.18Å; W94-I164 HydrophobicContact CE3-CD1 3.96Å; W94-I164 HydrophobicContact CH2-CD1 4.15Å; W94-I164 HydrophobicContact CZ3-CD1 3.38Å; W94-I164 HydrophobicContact CZ3-CG1 4.19Å; W94-Y174 AromaticContact CH2-CE2 3.75Å; W94-Y174 HydrophobicContact CH2-CE2 3.75Å; W94-Y174 HydrophobicContact CZ2-CE2 4.26Å; W94-G176 CarbonylContact O-C 3.59Å; W94-G176 VanDerWaalsContact O-CA 3.26Å; W94-G176 WeakPolarHBondContact O-CA 3.27Å; W94-I177 HydrophobicContact CD2-CB 4.44Å; W94-I177 HydrophobicContact CD2-CG1 4.46Å; W94-I177 HydrophobicContact CH2-CD1 4.26Å; W94-I177 HydrophobicContact CH2-CG1 4.12Å; W94-I177 HydrophobicContact CZ2-CB 4.25Å; W94-I177 HydrophobicContact CZ2-CD1 3.3Å; W94-I177 HydrophobicContact CZ2-CG1 3.46Å; W94-I177 VanDerWaalsContact CZ2-CG1 3.46Å; W94-I177 PolarHBondContact N-O 3.3Å; W94-I177 PolarHBondContact O-N 3.41Å
95F91.4Very high83.4Confident0 Ų038.2 Ų38.20%018%0.179CC..EExtended strand (participates in β ladder)trans-129.2149.7174.7-52-50.8000110.2I73 V75 L82 V84 T93 S97 I146 F158 G159 M161 I178I73-F95 HydrophobicContact CD1-CE1 3.83Å; I73-F95 HydrophobicContact CD1-CZ 3.75Å; V75-F95 HydrophobicContact CG1-CE2 4.33Å; V75-F95 HydrophobicContact CG2-CD2 4.19Å; V75-F95 HydrophobicContact CG2-CE2 3.68Å; V75-F95 HydrophobicContact CG2-CZ 4.05Å; L82-F95 HydrophobicContact CD1-CB 3.97Å; L82-F95 HydrophobicContact CD1-CD1 3.79Å; L82-F95 HydrophobicContact CD1-CD2 3.92Å; L82-F95 HydrophobicContact CD1-CE1 4.36Å; L82-F95 HydrophobicContact CD1-CE2 4.44Å; L82-F95 HydrophobicContact CD1-CG 3.59Å; V84-F95 HydrophobicContact CG1-CD1 4.06Å; V84-F95 HydrophobicContact CG1-CE1 3.68Å; T93-F95 HydrophobicContact CG2-CE1 3.85Å; T93-F95 HydrophobicContact CG2-CE2 4.03Å; T93-F95 HydrophobicContact CG2-CZ 3.42Å; T93-F95 VanDerWaalsContact CG2-CZ 3.42Å; F95-S97 PolarHBondContact O-N 2.86Å; F95-I146 HydrophobicContact CE2-CD1 4.06Å; F95-I146 HydrophobicContact CZ-CD1 3.8Å; F95-F158 HydrophobicContact CD2-CB 4.33Å; F95-F158 HydrophobicContact CD2-CD1 4.31Å; F95-F158 AromaticContact CD2-CD2 3.37Å; F95-F158 HydrophobicContact CD2-CD2 3.37Å; F95-F158 AromaticContact CD2-CE2 3.63Å; F95-F158 HydrophobicContact CD2-CE2 3.63Å; F95-F158 AromaticContact CD2-CG 3.75Å; F95-F158 HydrophobicContact CD2-CG 3.75Å; F95-F158 HydrophobicContact CD2-CZ 4.2Å; F95-F158 HydrophobicContact CE2-CB 4.07Å; F95-F158 AromaticContact CE2-CD1 3.96Å; F95-F158 HydrophobicContact CE2-CD1 3.96Å; F95-F158 AromaticContact CE2-CD2 3.83Å; F95-F158 HydrophobicContact CE2-CD2 3.83Å; F95-F158 HydrophobicContact CE2-CE1 4.36Å; F95-F158 HydrophobicContact CE2-CE2 4.24Å; F95-F158 AromaticContact CE2-CG 3.67Å; F95-F158 HydrophobicContact CE2-CG 3.67Å; F95-F158 HydrophobicContact CE2-CZ 4.49Å; F95-F158 HydrophobicContact CG-CD2 4.32Å; F95-G159 PolarHBondContact N-O 2.7Å; F95-M161 PolarHBondContact O-N 3.34Å; F95-I178 HydrophobicContact CE1-CG1 4.33Å; F95-I178 HydrophobicContact CZ-CG1 4.47Å
96A88.5Confident82.2Confident0 Ų042.2 Ų42.20%020%0.197CC..EExtended strand (participates in β ladder)trans-61.5134167.800000110.4F112 Y113 I164 D175A96-F112 HydrophobicContact CB-CB 4.22Å; A96-F112 HydrophobicContact CB-CD1 3.33Å; A96-F112 HydrophobicContact CB-CD2 3.8Å; A96-F112 HydrophobicContact CB-CE1 3.5Å; A96-F112 VanDerWaalsContact CB-CE1 3.5Å; A96-F112 HydrophobicContact CB-CE2 3.89Å; A96-F112 HydrophobicContact CB-CG 3.51Å; A96-F112 HydrophobicContact CB-CZ 3.77Å; A96-F112 WeakPolarHBondContact O-CB 3.39Å; A96-Y113 PolarHBondContact O-N 3.39Å; A96-I164 VanDerWaalsContact CA-CD1 3.46Å; A96-I164 HydrophobicContact CB-CD1 3.45Å; A96-I164 VanDerWaalsContact CB-CD1 3.45Å; A96-D175 PolarHBondContact N-O 2.88Å
97S89.7Confident81.1Confident1 Ų142 Ų421%0.00720%0.196CC..BIsolated β-bridgetrans-101.7142-175.6-175.50000112.1F95 K99 E160 M161F95-S97 PolarHBondContact O-N 2.86Å; S97-K99 PolarHBondContact O-N 3.03Å; S97-K99 WeakPolarHBondContact OG-CB 3.49Å; S97-K99 PolarHBondContact OG-N 2.83Å; S97-E160 PolarHBondContact OG-OE2 3.32Å; S97-M161 VanDerWaalsContact CB-O 3.26Å; S97-M161 WeakPolarHBondContact CB-O 3.42Å; S97-M161 PolarHBondContact N-O 3.28Å
98R86.8Confident79.8Confident69 Ų6949.4 Ų49.426%0.2622%0.224SC..SBendtrans-67.1-15165-82.8-94.7172.8154.5-10.5113.2C100 F110 F112 Y113 D114R98-C100 PolarHBondContact O-N 2.72Å; R98-C100 PolarHBondContact O-SG 3.13Å; R98-C100 VanDerWaalsContact O-SG 3.41Å; R98-F110 PolarHBondContact NH2-O 3.41Å; R98-F112 HydrophobicContact CG-CB 4.04Å; R98-Y113 WeakPolarHBondContact CB-O 3.49Å; R98-Y113 PolarHBondContact N-O 3.21Å; R98-D114 HydrophobicContact CB-CB 4.18Å; R98-D114 HydrophobicContact CG-CB 3.9Å
99K84.8Confident78.6Confident85 Ų8554.2 Ų54.237%0.3725%0.247SC..  trans-84.151.1176.4-67.3169.3169.7169.20111.4S97 S115 F140 R162S97-K99 PolarHBondContact O-N 3.03Å; S97-K99 WeakPolarHBondContact OG-CB 3.49Å; S97-K99 PolarHBondContact OG-N 2.83Å; K99-S115 WeakPolarHBondContact CE-OG 3.29Å; K99-S115 PolarHBondContact NZ-OG 3.2Å; K99-F140 HydrophobicContact CB-CE1 4.5Å; K99-F140 HydrophobicContact CB-CZ 4.49Å; K99-F140 HydrophobicContact CD-CE1 4.43Å; K99-F140 HydrophobicContact CD-CZ 3.69Å; K99-R162 WeakPolarHBondContact O-CD 3.19Å; K99-R162 WeakPolarHBondContact O-CG 3.35Å
100C73.4Confident77.8Confident23 Ų2355.4 Ų55.416%0.15525%0.248CC..SBendtrans-89.2173.9175.257.90000111.3R98 C107 F165R98-C100 PolarHBondContact O-N 2.72Å; R98-C100 PolarHBondContact O-SG 3.13Å; R98-C100 VanDerWaalsContact O-SG 3.41Å; C100-C107 HydrophobicContact CB-CB 3.52Å; C100-C107 WeakPolarHBondContact CB-SG 3.05Å; C100-C107 WeakPolarHBondContact SG-CB 3.45Å; C100-C107 CovalentContact SG-SG 1.98Å; C100-C107 PolarHBondContact SG-SG 2.68Å; C100-F165 HydrophobicContact CB-CE2 4.26Å
101W68.1Low77.3Confident165 Ų16564.2 Ų64.263%0.62528%0.282SS*.  trans-67.5138.4173.7-17650.2000111.1L103 D104W101-L103 VanDerWaalsContact C-N 3.27Å; W101-L103 HydrophobicContact CD2-CB 4.13Å; W101-L103 HydrophobicContact CE3-CB 3.88Å; W101-L103 HydrophobicContact CH2-CB 3.85Å; W101-L103 HydrophobicContact CH2-CD1 3.61Å; W101-L103 HydrophobicContact CH2-CG 4.19Å; W101-L103 HydrophobicContact CZ2-CB 4.08Å; W101-L103 HydrophobicContact CZ2-CD1 3.6Å; W101-L103 HydrophobicContact CZ2-CG 4.08Å; W101-L103 HydrophobicContact CZ3-CB 3.73Å; W101-L103 HydrophobicContact CZ3-CD1 4.36Å; W101-L103 PolarHBondContact O-N 3.33Å; W101-D104 WeakPolarHBondContact O-CB 3.37Å; W101-D104 PolarHBondContact O-N 3.18Å
102F64Low77.1Confident147 Ų14763.9 Ų63.965%0.64528%0.279SS*.THydrogen-bonded Turntrans-63.9-26.2-168.872.6-83.9000114.8D104 W108F102-D104 PolarHBondContact O-N 2.95Å; F102-W108 PolarHBondContact O-NE1 2.85Å
103L63Low77.3Confident101 Ų10163.2 Ų63.253%0.52928%0.276SS..THydrogen-bonded Turntrans-81.7-0.3174.8-66.4-176.9000113.2W101 I105W101-L103 VanDerWaalsContact C-N 3.27Å; W101-L103 HydrophobicContact CD2-CB 4.13Å; W101-L103 HydrophobicContact CE3-CB 3.88Å; W101-L103 HydrophobicContact CH2-CB 3.85Å; W101-L103 HydrophobicContact CH2-CD1 3.61Å; W101-L103 HydrophobicContact CH2-CG 4.19Å; W101-L103 HydrophobicContact CZ2-CB 4.08Å; W101-L103 HydrophobicContact CZ2-CD1 3.6Å; W101-L103 HydrophobicContact CZ2-CG 4.08Å; W101-L103 HydrophobicContact CZ3-CB 3.73Å; W101-L103 HydrophobicContact CZ3-CD1 4.36Å; W101-L103 PolarHBondContact O-N 3.33Å; L103-I105 PolarHBondContact O-N 2.77Å
104D67.1Low77.4Confident27 Ų2764 Ų6414%0.14428%0.28CS..  trans-79.386.2177.1-155.5-41.2000110.6W101 F102 F106 C107 W108 F165W101-D104 WeakPolarHBondContact O-CB 3.37Å; W101-D104 PolarHBondContact O-N 3.18Å; F102-D104 PolarHBondContact O-N 2.95Å; D104-F106 PolarHBondContact O-N 3.41Å; D104-F106 VanDerWaalsContact O-N 3.12Å; D104-F106 WeakPolarHBondContact OD1-CB 3.5Å; D104-F106 PolarHBondContact OD1-N 3.15Å; D104-C107 HydrophobicContact CB-CB 4.1Å; D104-C107 VanDerWaalsContact O-CB 3.27Å; D104-C107 WeakPolarHBondContact O-CB 3.41Å; D104-C107 PolarHBondContact O-N 2.88Å; D104-C107 VanDerWaalsContact O-N 3.08Å; D104-C107 PolarHBondContact OD1-N 2.99Å; D104-W108 VanDerWaalsContact O-CD1 3.26Å; D104-F165 HydrophobicContact CB-CE2 4.41Å; D104-F165 WeakPolarHBondContact OD2-CD2 3.49Å; D104-F165 WeakPolarHBondContact OD2-CE2 3.04Å; D104-F165 WeakPolarHBondContact OD2-CG 3.42Å
105I65.1Low77.6Confident130 Ų13064.1 Ų64.167%0.66728%0.281SS*.Hα-helixtrans-52.4-33.6177.2-74.7169000111.2L103 C107 W108 M109L103-I105 PolarHBondContact O-N 2.77Å; I105-C107 VanDerWaalsContact C-N 3.33Å; I105-C107 PolarHBondContact O-N 2.93Å; I105-W108 PolarHBondContact O-N 2.94Å; I105-M109 PolarHBondContact O-N 3.48Å; I105-M109 VanDerWaalsContact O-N 3.14Å
106F63.9Low77.7Confident85 Ų8569 Ų6937%0.37332%0.315SS..Hα-helixtrans-67.1-37.1-177.8-57.8-69.9000111.5D104 W108 M109 F110 F165 F170D104-F106 PolarHBondContact O-N 3.41Å; D104-F106 VanDerWaalsContact O-N 3.12Å; D104-F106 WeakPolarHBondContact OD1-CB 3.5Å; D104-F106 PolarHBondContact OD1-N 3.15Å; F106-W108 PolarHBondContact O-N 3.25Å; F106-M109 HydrophobicContact CD1-CE 3.95Å; F106-M109 WeakPolarHBondContact O-CB 3.04Å; F106-M109 PolarHBondContact O-N 3.49Å; F106-F110 HydrophobicContact CB-CD2 4.4Å; F106-F110 HydrophobicContact CB-CE2 4.29Å; F106-F110 HydrophobicContact CD1-CE2 4.48Å; F106-F110 WeakPolarHBondContact O-CD2 3.42Å; F106-F110 PolarHBondContact O-N 3.26Å; F106-F165 HydrophobicContact CB-CD1 3.37Å; F106-F165 HydrophobicContact CB-CE1 3.29Å; F106-F165 HydrophobicContact CB-CG 4.39Å; F106-F165 HydrophobicContact CB-CZ 4.26Å; F106-F165 HydrophobicContact CD2-CD1 4.28Å; F106-F165 HydrophobicContact CG-CD1 4.12Å; F106-F165 HydrophobicContact CG-CE1 4.47Å; F106-F170 HydrophobicContact CD1-CD2 4.12Å; F106-F170 HydrophobicContact CD1-CE2 4.26Å; F106-F170 AromaticContact CE1-CD2 3.64Å; F106-F170 HydrophobicContact CE1-CD2 3.64Å; F106-F170 AromaticContact CE1-CE2 3.66Å; F106-F170 HydrophobicContact CE1-CE2 3.66Å
107C69.6Low78.1Confident0 Ų074.1 Ų74.10%034%0.338CS..Hα-helixtrans-58.3-33.7174.8-172.90000113.9C100 D104 I105 F165C100-C107 HydrophobicContact CB-CB 3.52Å; C100-C107 WeakPolarHBondContact CB-SG 3.05Å; C100-C107 WeakPolarHBondContact SG-CB 3.45Å; C100-C107 CovalentContact SG-SG 1.98Å; C100-C107 PolarHBondContact SG-SG 2.68Å; D104-C107 HydrophobicContact CB-CB 4.1Å; D104-C107 VanDerWaalsContact O-CB 3.27Å; D104-C107 WeakPolarHBondContact O-CB 3.41Å; D104-C107 PolarHBondContact O-N 2.88Å; D104-C107 VanDerWaalsContact O-N 3.08Å; D104-C107 PolarHBondContact OD1-N 2.99Å; I105-C107 VanDerWaalsContact C-N 3.33Å; I105-C107 PolarHBondContact O-N 2.93Å; C107-F165 HydrophobicContact CB-CE1 4.48Å; C107-F165 HydrophobicContact CB-CE2 4.35Å; C107-F165 HydrophobicContact CB-CZ 3.63Å
108W65.3Low78.5Confident155 Ų15574.7 Ų74.759%0.58734%0.341SS*.Hα-helixtrans-80.3-25.5177.3-62.4104.5000112.7F102 D104 I105 F106F102-W108 PolarHBondContact O-NE1 2.85Å; D104-W108 VanDerWaalsContact O-CD1 3.26Å; I105-W108 PolarHBondContact O-N 2.94Å; F106-W108 PolarHBondContact O-N 3.25Å
109M68Low79Confident104 Ų10478.8 Ų78.851%0.51237%0.367SS..Hα-helixtrans-77.1-30.9-178.5-167.1171.870.100113I105 F106 F170I105-M109 PolarHBondContact O-N 3.48Å; I105-M109 VanDerWaalsContact O-N 3.14Å; F106-M109 HydrophobicContact CD1-CE 3.95Å; F106-M109 WeakPolarHBondContact O-CB 3.04Å; F106-M109 PolarHBondContact O-N 3.49Å; M109-F170 HydrophobicContact CE-CE2 4.04Å
110F72.6Confident79.7Confident38 Ų3877 Ų7717%0.16736%0.364CS..SBendtrans-103.6162-174.4-64.7-72.3000114.1R98 F106 F112 Y169R98-F110 PolarHBondContact NH2-O 3.41Å; F106-F110 HydrophobicContact CB-CD2 4.4Å; F106-F110 HydrophobicContact CB-CE2 4.29Å; F106-F110 HydrophobicContact CD1-CE2 4.48Å; F106-F110 WeakPolarHBondContact O-CD2 3.42Å; F106-F110 PolarHBondContact O-N 3.26Å; F110-F112 HydrophobicContact CB-CD1 3.71Å; F110-F112 HydrophobicContact CB-CE1 3.19Å; F110-F112 HydrophobicContact CB-CE2 4.3Å; F110-F112 HydrophobicContact CB-CG 4.44Å; F110-F112 HydrophobicContact CB-CZ 3.56Å; F110-F112 HydrophobicContact CD2-CE1 4.35Å; F110-F112 AromaticContact CD2-CZ 3.99Å; F110-F112 HydrophobicContact CD2-CZ 3.99Å; F110-F112 AromaticContact CG-CE1 3.99Å; F110-F112 HydrophobicContact CG-CE1 3.99Å; F110-F112 HydrophobicContact CG-CZ 4.09Å; F110-F112 PolarHBondContact O-N 3.27Å; F110-F112 VanDerWaalsContact O-N 3.17Å; F110-Y169 HydrophobicContact CB-CE1 4.44Å; F110-Y169 HydrophobicContact CD1-CE1 4.18Å; F110-Y169 HydrophobicContact CD2-CD1 4.02Å; F110-Y169 AromaticContact CD2-CE1 3.64Å; F110-Y169 HydrophobicContact CD2-CE1 3.64Å; F110-Y169 HydrophobicContact CE1-CE1 4.32Å; F110-Y169 AromaticContact CE2-CD1 3.8Å; F110-Y169 HydrophobicContact CE2-CD1 3.8Å; F110-Y169 AromaticContact CE2-CE1 3.82Å; F110-Y169 HydrophobicContact CE2-CE1 3.82Å; F110-Y169 AromaticContact CG-CE1 3.85Å; F110-Y169 HydrophobicContact CG-CE1 3.85Å; F110-Y169 HydrophobicContact CZ-CD1 4.21Å; F110-Y169 HydrophobicContact CZ-CE1 4.15Å
111R75.3Confident80.9Confident185 Ų18578.6 Ų78.670%0.69837%0.367SS*.  trans-88.374.4179.8-68.4-174.7-179.2-176.11.4110.4L82L82-R111 WeakPolarHBondContact CD2-O 3.19Å
112F87.4Confident82.3Confident9 Ų974.5 Ų74.54%0.03936%0.36CS..  trans-88158.4178.3-66.3-7.7000112.4A96 R98 F110 D114 F165 Y169A96-F112 HydrophobicContact CB-CB 4.22Å; A96-F112 HydrophobicContact CB-CD1 3.33Å; A96-F112 HydrophobicContact CB-CD2 3.8Å; A96-F112 HydrophobicContact CB-CE1 3.5Å; A96-F112 VanDerWaalsContact CB-CE1 3.5Å; A96-F112 HydrophobicContact CB-CE2 3.89Å; A96-F112 HydrophobicContact CB-CG 3.51Å; A96-F112 HydrophobicContact CB-CZ 3.77Å; A96-F112 WeakPolarHBondContact O-CB 3.39Å; R98-F112 HydrophobicContact CG-CB 4.04Å; F110-F112 HydrophobicContact CB-CD1 3.71Å; F110-F112 HydrophobicContact CB-CE1 3.19Å; F110-F112 HydrophobicContact CB-CE2 4.3Å; F110-F112 HydrophobicContact CB-CG 4.44Å; F110-F112 HydrophobicContact CB-CZ 3.56Å; F110-F112 HydrophobicContact CD2-CE1 4.35Å; F110-F112 AromaticContact CD2-CZ 3.99Å; F110-F112 HydrophobicContact CD2-CZ 3.99Å; F110-F112 AromaticContact CG-CE1 3.99Å; F110-F112 HydrophobicContact CG-CE1 3.99Å; F110-F112 HydrophobicContact CG-CZ 4.09Å; F110-F112 PolarHBondContact O-N 3.27Å; F110-F112 VanDerWaalsContact O-N 3.17Å; F112-D114 PolarHBondContact O-N 3.46Å; F112-F165 HydrophobicContact CD2-CZ 4.44Å; F112-F165 AromaticContact CE2-CE1 3.63Å; F112-F165 HydrophobicContact CE2-CE1 3.63Å; F112-F165 AromaticContact CE2-CZ 3.49Å; F112-F165 HydrophobicContact CE2-CZ 3.49Å; F112-F165 VanDerWaalsContact CE2-CZ 3.49Å; F112-F165 AromaticContact CZ-CE1 3.94Å; F112-F165 HydrophobicContact CZ-CE1 3.94Å; F112-F165 HydrophobicContact CZ-CZ 4.26Å; F112-Y169 AromaticContact CE1-CE1 3.62Å; F112-Y169 HydrophobicContact CE1-CE1 3.62Å; F112-Y169 AromaticContact CE1-CZ 3.6Å; F112-Y169 VanDerWaalsContact CE1-OH 3.22Å; F112-Y169 WeakPolarHBondContact CE1-OH 3.43Å; F112-Y169 HydrophobicContact CZ-CD1 4.26Å; F112-Y169 AromaticContact CZ-CE1 3.48Å; F112-Y169 HydrophobicContact CZ-CE1 3.48Å; F112-Y169 VanDerWaalsContact CZ-CE1 3.48Å; F112-Y169 AromaticContact CZ-CZ 3.8Å
113Y93.7Very high83.8Confident0 Ų070.9 Ų70.90%036%0.358CS..BIsolated β-bridgetrans-64.6129.7178.3172-104.2000110.9V75 A96 R98 Y121 D144 F158 E160V75-Y113 HydrophobicContact CB-CD2 4.13Å; V75-Y113 HydrophobicContact CB-CE2 4.31Å; V75-Y113 HydrophobicContact CG1-CD2 3.87Å; V75-Y113 HydrophobicContact CG1-CE2 3.68Å; A96-Y113 PolarHBondContact O-N 3.39Å; R98-Y113 WeakPolarHBondContact CB-O 3.49Å; R98-Y113 PolarHBondContact N-O 3.21Å; Y113-Y121 WeakPolarHBondContact OH-CD2 3.24Å; Y113-D144 PolarHBondContact OH-OD2 3.36Å; Y113-F158 AromaticContact CD1-CE2 3.8Å; Y113-F158 HydrophobicContact CD1-CE2 3.8Å; Y113-F158 HydrophobicContact CD1-CZ 4.04Å; Y113-F158 HydrophobicContact CD2-CZ 4.5Å; Y113-F158 AromaticContact CE1-CE2 3.73Å; Y113-F158 HydrophobicContact CE1-CE2 3.73Å; Y113-F158 AromaticContact CE1-CZ 3.58Å; Y113-F158 HydrophobicContact CE1-CZ 3.58Å; Y113-F158 HydrophobicContact CE2-CZ 4.11Å; Y113-F158 HydrophobicContact CG-CE2 4.33Å; Y113-F158 HydrophobicContact CG-CZ 4.47Å; Y113-F158 AromaticContact CZ-CZ 3.63Å; Y113-E160 HydrophobicContact CD1-CG 3.74Å; Y113-E160 VanDerWaalsContact CE1-CD 3.47Å; Y113-E160 HydrophobicContact CE1-CG 3.94Å; Y113-E160 WeakPolarHBondContact CE1-OE1 3.25Å
114D94.5Very high85.3Confident20 Ų2069 Ų6911%0.10735%0.348CS..  trans-117.196.4-179.5-163.7-21.8000110.2Q80 R98 F112 S116 K117Q80-D114 PolarHBondContact NE2-O 2.97Å; R98-D114 HydrophobicContact CB-CB 4.18Å; R98-D114 HydrophobicContact CG-CB 3.9Å; F112-D114 PolarHBondContact O-N 3.46Å; D114-S116 PolarHBondContact O-N 2.94Å; D114-S116 VanDerWaalsContact O-N 3.14Å; D114-S116 WeakPolarHBondContact OD1-CB 3.21Å; D114-S116 PolarHBondContact OD1-N 3.05Å; D114-S116 VanDerWaalsContact OD1-N 3.14Å; D114-S116 PolarHBondContact OD1-OG 3.12Å; D114-K117 HydrophobicContact CB-CB 4.32Å; D114-K117 HydrophobicContact CB-CD 3.98Å; D114-K117 HydrophobicContact CB-CG 4.17Å; D114-K117 PolarHBondContact O-N 3.2Å; D114-K117 WeakPolarHBondContact OD2-CD 3.47Å; D114-K117 WeakPolarHBondContact OD2-CE 3.38Å; D114-K117 IonicContact OD2-NZ 3.08Å; D114-K117 PolarHBondContact OD2-NZ 2.77Å
115S96.4Very high86.5Confident3 Ų370.1 Ų70.12%0.02137%0.366CS..G310 helixtrans-60.5-22.8178.530.40000113.3K99 K117 S118 E160K99-S115 WeakPolarHBondContact CE-OG 3.29Å; K99-S115 PolarHBondContact NZ-OG 3.2Å; S115-K117 PolarHBondContact O-N 3.15Å; S115-S118 PolarHBondContact O-N 3.47Å; S115-E160 PolarHBondContact OG-OE1 3.07Å; S115-E160 PolarHBondContact OG-OE2 3.13Å
116S95.5Very high87.9Confident102 Ų10266.5 Ų66.571%0.71335%0.352SS*.G310 helixtrans-70.8-16.2177.675.30000113.7D114D114-S116 PolarHBondContact O-N 2.94Å; D114-S116 VanDerWaalsContact O-N 3.14Å; D114-S116 WeakPolarHBondContact OD1-CB 3.21Å; D114-S116 PolarHBondContact OD1-N 3.05Å; D114-S116 VanDerWaalsContact OD1-N 3.14Å; D114-S116 PolarHBondContact OD1-OG 3.12Å
117K96Very high89.2Confident108 Ų10865.7 Ų65.747%0.4736%0.357SS..G310 helixtrans-1014.9-178.7-65.9179.7-177145.20113.5P78 D114 S115P78-K117 WeakPolarHBondContact CD-O 3.4Å; D114-K117 HydrophobicContact CB-CB 4.32Å; D114-K117 HydrophobicContact CB-CD 3.98Å; D114-K117 HydrophobicContact CB-CG 4.17Å; D114-K117 PolarHBondContact O-N 3.2Å; D114-K117 WeakPolarHBondContact OD2-CD 3.47Å; D114-K117 WeakPolarHBondContact OD2-CE 3.38Å; D114-K117 IonicContact OD2-NZ 3.08Å; D114-K117 PolarHBondContact OD2-NZ 2.77Å; S115-K117 PolarHBondContact O-N 3.15Å
118S97.9Very high90Very high12 Ų1265.7 Ų65.78%0.08436%0.357CS..  trans-114.8122-178.4-176.50000111.7G76 T77 S115 T120 Y121 D144G76-S118 WeakPolarHBondContact CA-OG 3.47Å; T77-S118 PolarHBondContact N-OG 2.85Å; T77-S118 CarbonylContact O-C 3.6Å; T77-S118 WeakPolarHBondContact O-CA 3.37Å; S115-S118 PolarHBondContact O-N 3.47Å; S118-T120 VanDerWaalsContact C-N 3.29Å; S118-T120 PolarHBondContact OG-N 3.02Å; S118-T120 PolarHBondContact OG-OG1 2.75Å; S118-Y121 WeakPolarHBondContact O-CB 3.15Å; S118-Y121 PolarHBondContact OG-N 2.81Å; S118-D144 WeakPolarHBondContact CB-OD2 3.32Å; S118-D144 VanDerWaalsContact OG-CG 3.27Å; S118-D144 PolarHBondContact OG-OD1 2.82Å; S118-D144 PolarHBondContact OG-OD2 2.89Å
119L98Very high90.9Very high155 Ų15563.6 Ų63.681%0.81235%0.353SS*.THydrogen-bonded Turntrans-73.7-20.3173.9-61.4174.9000112.6T77T77-L119 WeakPolarHBondContact O-CB 3.42Å; T77-L119 WeakPolarHBondContact O-CG 3.29Å; T77-L119 PolarHBondContact O-N 3.12Å
120T98.2Very high91.3Very high49 Ų4959 Ų5930%0.30133%0.331SS..THydrogen-bonded Turntrans-97.81.9178.746.30000113.1T77 S118 D144T77-T120 WeakPolarHBondContact CB-OG1 3.37Å; T77-T120 HydrophobicContact CG2-CG2 4.46Å; T77-T120 PolarHBondContact N-OG1 3.38Å; T77-T120 WeakPolarHBondContact OG1-CG2 3.5Å; T77-T120 PolarHBondContact OG1-OG1 3.05Å; S118-T120 VanDerWaalsContact C-N 3.29Å; S118-T120 PolarHBondContact OG-N 3.02Å; S118-T120 PolarHBondContact OG-OG1 2.75Å; T120-D144 VanDerWaalsContact CB-OD1 3.24Å; T120-D144 WeakPolarHBondContact CB-OD1 3.46Å; T120-D144 PolarHBondContact OG1-OD1 3.07Å
121Y98.3Very high91.1Very high55 Ų5560.3 Ų60.322%0.21635%0.345CS..  trans-67.1132.8176.5167.3-115.1000111.4Y113 S118 A123 S142 D144Y113-Y121 WeakPolarHBondContact OH-CD2 3.24Å; S118-Y121 WeakPolarHBondContact O-CB 3.15Å; S118-Y121 PolarHBondContact OG-N 2.81Å; Y121-A123 HydrophobicContact CE1-CB 4.1Å; Y121-A123 WeakPolarHBondContact OH-CB 3.46Å; Y121-S142 WeakPolarHBondContact CE2-OG 3.46Å; Y121-D144 PolarHBondContact N-OD1 3.24Å
122V97.9Very high90.6Very high80 Ų8052.5 Ų52.549%0.48532%0.316SS..EExtended strand (participates in β ladder)trans-122.4123.8169.4-179.10000108.4D124 V143V122-D124 PolarHBondContact O-N 3.14Å; V122-V143 HydrophobicContact CB-CB 4.16Å; V122-V143 PolarHBondContact N-O 2.74Å; V122-V143 PolarHBondContact O-N 3.04Å
123A96.5Very high89Confident71 Ų7153.7 Ų53.759%0.58732%0.322SS*.EExtended strand (participates in β ladder)trans-70.7129.2176.500000110.5Y121Y121-A123 HydrophobicContact CE1-CB 4.1Å; Y121-A123 WeakPolarHBondContact OH-CB 3.46Å
124D95.3Very high87Confident62 Ų6256.9 Ų56.933%0.33234%0.339SS..EExtended strand (participates in β ladder)trans-106.5-57.9166.6177.9-51.2000108.8V122 S126 W141 K190V122-D124 PolarHBondContact O-N 3.14Å; D124-S126 PolarHBondContact O-N 3.35Å; D124-S126 WeakPolarHBondContact OD1-CB 3.16Å; D124-S126 PolarHBondContact OD1-N 3.15Å; D124-S126 PolarHBondContact OD1-OG 3.06Å; D124-W141 HydrophobicContact CB-CB 4.03Å; D124-W141 WeakPolarHBondContact CB-O 3.49Å; D124-K190 IonicContact OD2-NZ 2.6Å; D124-K190 PolarHBondContact OD2-NZ 3.19Å
125G92.2Very high85.3Confident50 Ų5059 Ų5952%0.51535%0.35SS..EExtended strand (participates in β ladder)trans79.2-5.9171.300000115.2W141G125-W141 PolarHBondContact N-O 3.49Å
126S93.7Very high83.9Confident53 Ų5363 Ų6337%0.37138%0.379SS..EExtended strand (participates in β ladder)trans-63.3151172.362.30000111.5D124 F140 W141D124-S126 PolarHBondContact O-N 3.35Å; D124-S126 WeakPolarHBondContact OD1-CB 3.16Å; D124-S126 PolarHBondContact OD1-N 3.15Å; D124-S126 PolarHBondContact OD1-OG 3.06Å; S126-F140 CarbonylContact O-C 3.49Å; S126-F140 VanDerWaalsContact O-CA 3.25Å; S126-F140 WeakPolarHBondContact O-CA 3.23Å; S126-W141 PolarHBondContact O-N 3.36Å; S126-W141 VanDerWaalsContact OG-CD1 3.24Å
127S91.3Very high82.9Confident69 Ų6959 Ų5948%0.48335%0.349SS..EExtended strand (participates in β ladder)trans-66.1138.1-174.1-157.20000111.9H129S127-H129 PolarHBondContact OG-CD2 2.94Å; S127-H129 PolarHBondContact OG-NE2 2.9Å
128F87.1Confident82.4Confident0 Ų055.4 Ų55.40%034%0.338CS..EExtended strand (participates in β ladder)trans-116.7132.4170.7178-93.3000110.2D92 W94 V130 S138 G139 W141 M161D92-F128 HydrophobicContact CB-CE2 3.81Å; D92-F128 HydrophobicContact CB-CZ 4.01Å; W94-F128 HydrophobicContact CB-CE1 4.18Å; W94-F128 HydrophobicContact CB-CZ 4.33Å; F128-V130 HydrophobicContact CE1-CB 3.73Å; F128-V130 HydrophobicContact CE1-CG1 3.59Å; F128-V130 HydrophobicContact CZ-CB 3.82Å; F128-V130 HydrophobicContact CZ-CG1 4.08Å; F128-S138 WeakPolarHBondContact O-CA 3.5Å; F128-G139 PolarHBondContact N-O 2.83Å; F128-G139 PolarHBondContact O-N 2.87Å; F128-W141 HydrophobicContact CB-CG 4.44Å; F128-W141 HydrophobicContact CD2-CD2 4.08Å; F128-W141 AromaticContact CD2-CE2 3.43Å; F128-W141 VanDerWaalsContact CD2-CE2 3.43Å; F128-W141 AromaticContact CD2-CH2 3.79Å; F128-W141 HydrophobicContact CD2-CH2 3.79Å; F128-W141 AromaticContact CD2-CZ2 3.28Å; F128-W141 HydrophobicContact CD2-CZ2 3.28Å; F128-W141 HydrophobicContact CD2-CZ3 4.37Å; F128-W141 AromaticContact CD2-NE1 3.76Å; F128-W141 AromaticContact CE2-CH2 3.71Å; F128-W141 HydrophobicContact CE2-CH2 3.71Å; F128-W141 AromaticContact CE2-CZ2 3.58Å; F128-W141 HydrophobicContact CE2-CZ2 3.58Å; F128-W141 HydrophobicContact CE2-CZ3 4.44Å; F128-W141 HydrophobicContact CG-CZ2 4.5Å; F128-M161 HydrophobicContact CB-CE 4.42Å; F128-M161 HydrophobicContact CD1-CE 2.97Å; F128-M161 HydrophobicContact CD1-SD 3.62Å; F128-M161 HydrophobicContact CE1-CE 3.24Å; F128-M161 HydrophobicContact CE1-SD 3.63Å; F128-M161 HydrophobicContact CG-CE 3.9Å; F128-M161 HydrophobicContact CZ-CE 4.36Å
129H83.9Confident81.9Confident110 Ų11055.3 Ų55.351%0.50934%0.339SS..EExtended strand (participates in β ladder)trans-136.8132.4175.7-62-74.1000109.3S127S127-H129 PolarHBondContact OG-CD2 2.94Å; S127-H129 PolarHBondContact OG-NE2 2.9Å
130V75.7Confident81.7Confident8 Ų848.6 Ų48.65%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-134.6137.2172.866.60000109.4Q60 F128 Y132 S136 L137Q60-V130 HydrophobicContact CB-CG2 4.49Å; Q60-V130 HydrophobicContact CG-CG2 4.07Å; Q60-V130 VanDerWaalsContact OE1-CG2 3.28Å; F128-V130 HydrophobicContact CE1-CB 3.73Å; F128-V130 HydrophobicContact CE1-CG1 3.59Å; F128-V130 HydrophobicContact CZ-CB 3.82Å; F128-V130 HydrophobicContact CZ-CG1 4.08Å; V130-Y132 HydrophobicContact CB-CE2 4.44Å; V130-Y132 HydrophobicContact CG1-CD2 4.35Å; V130-Y132 HydrophobicContact CG1-CE2 3.67Å; V130-Y132 HydrophobicContact CG2-CD2 4.48Å; V130-Y132 HydrophobicContact CG2-CE1 3.97Å; V130-Y132 HydrophobicContact CG2-CE2 3.86Å; V130-S136 CarbonylContact O-C 3.52Å; V130-S136 WeakPolarHBondContact O-CA 3.1Å; V130-L137 HydrophobicContact CG1-CB 3.83Å; V130-L137 PolarHBondContact N-O 3.37Å; V130-L137 PolarHBondContact O-N 3.38Å
131S68.5Low81.7Confident65 Ų6546.4 Ų46.446%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-111.5128.3172.1-64.40000108.6S136S131-S136 PolarHBondContact OG-OG 3.21Å
132Y64.7Low81.6Confident22 Ų2243.8 Ų43.89%0.08628%0.279CS..  trans-107.8173.3168.2-65.4-60.5000109.8Q60 I62 W94 V130 D134 D135 L137 I177Q60-Y132 HydrophobicContact CB-CD1 4.02Å; Q60-Y132 HydrophobicContact CB-CE1 3.55Å; Q60-Y132 HydrophobicContact CG-CE1 4.4Å; Q60-Y132 VanDerWaalsContact OE1-CZ 3.24Å; Q60-Y132 PolarHBondContact OE1-OH 2.92Å; I62-Y132 HydrophobicContact CB-CD1 3.78Å; I62-Y132 HydrophobicContact CB-CE1 4.16Å; I62-Y132 HydrophobicContact CD1-CD1 3.62Å; I62-Y132 HydrophobicContact CD1-CE1 3.06Å; I62-Y132 HydrophobicContact CD1-CE2 4.46Å; I62-Y132 HydrophobicContact CG1-CD1 3.54Å; I62-Y132 HydrophobicContact CG1-CE1 3.41Å; I62-Y132 VanDerWaalsContact CG1-CE1 3.41Å; W94-Y132 HydrophobicContact CZ2-CE2 4.06Å; W94-Y132 AromaticContact NE1-CE2 3.59Å; W94-Y132 AromaticContact NE1-CZ 3.54Å; W94-Y132 PolarHBondContact NE1-OH 3.25Å; V130-Y132 HydrophobicContact CB-CE2 4.44Å; V130-Y132 HydrophobicContact CG1-CD2 4.35Å; V130-Y132 HydrophobicContact CG1-CE2 3.67Å; V130-Y132 HydrophobicContact CG2-CD2 4.48Å; V130-Y132 HydrophobicContact CG2-CE1 3.97Å; V130-Y132 HydrophobicContact CG2-CE2 3.86Å; Y132-D134 PolarHBondContact O-N 2.97Å; Y132-D134 VanDerWaalsContact O-N 3.14Å; Y132-D135 PolarHBondContact N-O 2.82Å; Y132-L137 HydrophobicContact CD2-CD1 4.19Å; Y132-L137 HydrophobicContact CE2-CD1 4.08Å; Y132-I177 HydrophobicContact CE2-CD1 4.41Å
133L53.7Low81.6Confident33 Ų3341.2 Ų41.217%0.17326%0.263CS..SBendtrans-49.7-41.5-177.4-68.2-178.1000113.2Y48 I62 N63Y48-L133 HydrophobicContact CE2-CD2 3.32Å; Y48-L133 WeakPolarHBondContact OH-CD2 3.32Å; I62-L133 WeakPolarHBondContact O-CD1 3.44Å; I62-L133 WeakPolarHBondContact O-CG 3.02Å; N63-L133 HydrophobicContact CB-CD1 3.59Å
134D52.4Low81.7Confident67 Ų6737.9 Ų37.936%0.35824%0.236SC..SBendtrans-110.2-18.3-171.4-61.6-60.3000114.1S42 Y132S42-D134 PolarHBondContact OG-OD1 2.87Å; Y132-D134 PolarHBondContact O-N 2.97Å; Y132-D134 VanDerWaalsContact O-N 3.14Å
135D58.1Low81.9Confident64 Ų6435.4 Ų35.434%0.34222%0.223SC..  trans-148.1146.8-172.9-93.9-33.5000113.3Y132 S166Y132-D135 PolarHBondContact N-O 2.82Å; D135-S166 VanDerWaalsContact OD2-CB 3.28Å; D135-S166 WeakPolarHBondContact OD2-CB 3.35Å; D135-S166 PolarHBondContact OD2-OG 3.41Å
136S67.5Low82.1Confident89 Ų8933 Ų3362%0.62220%0.198SC*.EExtended strand (participates in β ladder)trans-104.3119.2167.9-64.70000109.5V130 S131V130-S136 CarbonylContact O-C 3.52Å; V130-S136 WeakPolarHBondContact O-CA 3.1Å; S131-S136 PolarHBondContact OG-OG 3.21Å
137L74.8Confident82.3Confident16 Ų1633.5 Ų33.58%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-102.1143.3178.4-56.3178.9000110.1W94 V130 Y132 M161 I164W94-L137 HydrophobicContact CH2-CD1 4.01Å; W94-L137 HydrophobicContact CZ2-CD1 3.78Å; V130-L137 HydrophobicContact CG1-CB 3.83Å; V130-L137 PolarHBondContact N-O 3.37Å; V130-L137 PolarHBondContact O-N 3.38Å; Y132-L137 HydrophobicContact CD2-CD1 4.19Å; Y132-L137 HydrophobicContact CE2-CD1 4.08Å; L137-M161 HydrophobicContact CB-SD 3.98Å; L137-I164 HydrophobicContact CD1-CG1 4.23Å; L137-I164 HydrophobicContact CD2-CG1 4.34Å
138S84Confident82.4Confident33 Ų3330.2 Ų30.223%0.23117%0.169CC..EExtended strand (participates in β ladder)trans-131151.3176.6650000112.2F128 R162 N163F128-S138 WeakPolarHBondContact O-CA 3.5Å; S138-R162 PolarHBondContact O-N 2.95Å; S138-N163 PolarHBondContact OG-ND2 2.86Å; S138-N163 VanDerWaalsContact OG-ND2 3.08Å
139G89.3Confident82.5Confident11 Ų1135.4 Ų35.411%0.11320%0.197CC..EExtended strand (participates in β ladder)trans-170.7-153.6-174.900000111.1F128 E160F128-G139 PolarHBondContact N-O 2.83Å; F128-G139 PolarHBondContact O-N 2.87Å; G139-E160 WeakPolarHBondContact CA-O 3.36Å
140F93.7Very high82.8Confident14 Ų1433.8 Ų33.86%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-142153.917759.5-78.7000109.6K99 S126 S142 G159 E160 R162K99-F140 HydrophobicContact CB-CE1 4.5Å; K99-F140 HydrophobicContact CB-CZ 4.49Å; K99-F140 HydrophobicContact CD-CE1 4.43Å; K99-F140 HydrophobicContact CD-CZ 3.69Å; S126-F140 CarbonylContact O-C 3.49Å; S126-F140 VanDerWaalsContact O-CA 3.25Å; S126-F140 WeakPolarHBondContact O-CA 3.23Å; F140-S142 WeakPolarHBondContact CE2-OG 3.46Å; F140-G159 CarbonylContact O-C 3.59Å; F140-E160 HydrophobicContact CD1-CB 4.16Å; F140-E160 HydrophobicContact CD2-CB 4.33Å; F140-E160 HydrophobicContact CE1-CB 3.62Å; F140-E160 HydrophobicContact CE2-CB 3.84Å; F140-E160 HydrophobicContact CE2-CG 4.2Å; F140-E160 WeakPolarHBondContact CE2-OE1 3.19Å; F140-E160 HydrophobicContact CG-CB 4.48Å; F140-E160 HydrophobicContact CZ-CB 3.44Å; F140-E160 VanDerWaalsContact CZ-CB 3.44Å; F140-E160 VanDerWaalsContact CZ-CD 3.4Å; F140-E160 HydrophobicContact CZ-CG 4Å; F140-E160 WeakPolarHBondContact CZ-OE1 3.03Å; F140-E160 PolarHBondContact N-O 3.41Å; F140-E160 VanDerWaalsContact N-O 3.13Å; F140-E160 PolarHBondContact O-N 3.5Å; F140-R162 HydrophobicContact CD1-CG 4.32Å; F140-R162 VanDerWaalsContact CD1-NE 3.32Å; F140-R162 HydrophobicContact CE1-CG 4.12Å
141W96.2Very high83.6Confident3 Ų333.5 Ų33.51%0.01120%0.196CC..EExtended strand (participates in β ladder)trans-72.4143.5176.5-73.3102000111.5D92 D124 G125 S126 F128 A157 F188 K190D92-W141 HydrophobicContact CB-CH2 4.26Å; D124-W141 HydrophobicContact CB-CB 4.03Å; D124-W141 WeakPolarHBondContact CB-O 3.49Å; G125-W141 PolarHBondContact N-O 3.49Å; S126-W141 PolarHBondContact O-N 3.36Å; S126-W141 VanDerWaalsContact OG-CD1 3.24Å; F128-W141 HydrophobicContact CB-CG 4.44Å; F128-W141 HydrophobicContact CD2-CD2 4.08Å; F128-W141 AromaticContact CD2-CE2 3.43Å; F128-W141 VanDerWaalsContact CD2-CE2 3.43Å; F128-W141 AromaticContact CD2-CH2 3.79Å; F128-W141 HydrophobicContact CD2-CH2 3.79Å; F128-W141 AromaticContact CD2-CZ2 3.28Å; F128-W141 HydrophobicContact CD2-CZ2 3.28Å; F128-W141 HydrophobicContact CD2-CZ3 4.37Å; F128-W141 AromaticContact CD2-NE1 3.76Å; F128-W141 AromaticContact CE2-CH2 3.71Å; F128-W141 HydrophobicContact CE2-CH2 3.71Å; F128-W141 AromaticContact CE2-CZ2 3.58Å; F128-W141 HydrophobicContact CE2-CZ2 3.58Å; F128-W141 HydrophobicContact CE2-CZ3 4.44Å; F128-W141 HydrophobicContact CG-CZ2 4.5Å; W141-A157 HydrophobicContact CE3-CB 4.23Å; W141-A157 HydrophobicContact CZ3-CB 4.32Å; W141-F188 HydrophobicContact CZ2-CB 3.73Å; W141-F188 AromaticContact CZ2-CD2 3.61Å; W141-F188 HydrophobicContact CZ2-CD2 3.61Å; W141-F188 HydrophobicContact CZ2-CE2 4.4Å; W141-F188 AromaticContact CZ2-CG 3.81Å; W141-F188 HydrophobicContact CZ2-CG 3.81Å; W141-F188 AromaticContact NE1-CG 3.97Å; W141-K190 HydrophobicContact CD2-CG 4.08Å; W141-K190 HydrophobicContact CE3-CG 3.97Å; W141-K190 HydrophobicContact CH2-CB 4.06Å; W141-K190 HydrophobicContact CH2-CG 3.75Å; W141-K190 HydrophobicContact CZ2-CG 3.82Å; W141-K190 HydrophobicContact CZ3-CB 4.16Å; W141-K190 HydrophobicContact CZ3-CG 3.82Å
142S97.9Very high84.9Confident0 Ų033.8 Ų33.80%020%0.195CC..EExtended strand (participates in β ladder)trans-140.3157.8173-78.10000109.4Y121 F140 A157 F158 E160Y121-S142 WeakPolarHBondContact CE2-OG 3.46Å; F140-S142 WeakPolarHBondContact CE2-OG 3.46Å; S142-A157 CarbonylContact O-C 3.56Å; S142-A157 WeakPolarHBondContact O-CA 3.06Å; S142-F158 PolarHBondContact N-O 2.98Å; S142-F158 PolarHBondContact O-N 2.83Å; S142-F158 VanDerWaalsContact O-O 3.12Å; S142-E160 WeakPolarHBondContact CB-OE1 3.31Å; S142-E160 PolarHBondContact OG-OE1 3.19Å
143V98.1Very high86.4Confident25 Ų2532.7 Ų32.715%0.15219%0.191CC..EExtended strand (participates in β ladder)trans-125.3132.7176.6177.90000108.5V122 N155 Q156 A157V122-V143 HydrophobicContact CB-CB 4.16Å; V122-V143 PolarHBondContact N-O 2.74Å; V122-V143 PolarHBondContact O-N 3.04Å; V143-N155 HydrophobicContact CG1-CB 4.32Å; V143-Q156 WeakPolarHBondContact CA-O 3.24Å; V143-A157 HydrophobicContact CG2-CB 4.17Å
144D98.4Very high88.4Confident1 Ų132.9 Ų32.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-156.7-175173.7-150.8-22.4000110.7V75 G76 Y113 S118 T120 Y121 Q156 F158V75-D144 HydrophobicContact CG1-CB 4.11Å; G76-D144 VanDerWaalsContact CA-CG 3.48Å; G76-D144 WeakPolarHBondContact CA-OD1 3.46Å; G76-D144 WeakPolarHBondContact CA-OD2 3.36Å; Y113-D144 PolarHBondContact OH-OD2 3.36Å; S118-D144 WeakPolarHBondContact CB-OD2 3.32Å; S118-D144 VanDerWaalsContact OG-CG 3.27Å; S118-D144 PolarHBondContact OG-OD1 2.82Å; S118-D144 PolarHBondContact OG-OD2 2.89Å; T120-D144 VanDerWaalsContact CB-OD1 3.24Å; T120-D144 WeakPolarHBondContact CB-OD1 3.46Å; T120-D144 PolarHBondContact OG1-OD1 3.07Å; Y121-D144 PolarHBondContact N-OD1 3.24Å; D144-Q156 PolarHBondContact N-O 2.84Å; D144-Q156 VanDerWaalsContact N-O 3.1Å; D144-Q156 PolarHBondContact O-N 3.19Å; D144-F158 HydrophobicContact CB-CE1 3.71Å; D144-F158 HydrophobicContact CB-CZ 4.13Å
145T98Very high90.5Very high10 Ų1035.2 Ų35.26%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-92.7122.2176.1-57.60000110.5V75 G76 R147 V152 I153V75-T145 CarbonylContact C-O 3.43Å; V75-T145 WeakPolarHBondContact CA-O 3.07Å; G76-T145 PolarHBondContact N-O 3.05Å; T145-R147 HydrophobicContact CG2-CG 4.25Å; T145-V152 HydrophobicContact CG2-CG1 3.57Å; T145-I153 WeakPolarHBondContact CA-O 3.27Å
146I97.7Very high92.4Very high0 Ų032.3 Ų32.30%019%0.191CC..EExtended strand (participates in β ladder)trans-92.3138.9168.3-62.1-170.4000108.9I73 S74 V75 T93 F95 I148 I153 Q156I73-I146 HydrophobicContact CD1-CG2 4.2Å; S74-I146 CarbonylContact O-C 3.53Å; V75-I146 HydrophobicContact CG2-CG1 4.25Å; T93-I146 HydrophobicContact CG2-CD1 4.34Å; F95-I146 HydrophobicContact CE2-CD1 4.06Å; F95-I146 HydrophobicContact CZ-CD1 3.8Å; I146-I148 HydrophobicContact CG2-CD1 4.43Å; I146-I148 HydrophobicContact CG2-CG1 4.03Å; I146-I153 HydrophobicContact CB-CB 4.41Å; I146-I153 HydrophobicContact CB-CD1 4.48Å; I146-I153 HydrophobicContact CG2-CD1 4.33Å; I146-I153 PolarHBondContact N-O 3.11Å; I146-I153 PolarHBondContact O-N 3.27Å; I146-Q156 HydrophobicContact CD1-CB 4.18Å; I146-Q156 HydrophobicContact CD1-CG 3.56Å; I146-Q156 HydrophobicContact CG1-CB 4.02Å; I146-Q156 HydrophobicContact CG1-CG 3.99Å
147R96.5Very high93.8Very high64 Ų6428.6 Ų28.624%0.24217%0.166CC..EExtended strand (participates in β ladder)trans-124131.8174-64.6-176.7173.580-1.9110.4S74 G76 T77 T145 L151 V152S74-R147 PolarHBondContact N-O 3.17Å; S74-R147 PolarHBondContact O-N 2.77Å; G76-R147 PolarHBondContact O-NH1 3.07Å; T77-R147 PolarHBondContact OG1-NH1 3.42Å; T145-R147 HydrophobicContact CG2-CG 4.25Å; R147-L151 VanDerWaalsContact CA-O 3.25Å; R147-L151 WeakPolarHBondContact CA-O 3.41Å; R147-V152 HydrophobicContact CG-CG1 4.36Å; R147-V152 HydrophobicContact CG-CG2 4.26Å
148I94.6Very high94.8Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-131.4101.3177.5-51.6-176.8000106.9I20 I73 F86 I146 S150 L151 I153 M193 L226I20-I148 HydrophobicContact CD1-CG2 3.47Å; I20-I148 VanDerWaalsContact CD1-CG2 3.47Å; I20-I148 HydrophobicContact CG1-CG2 3.74Å; I73-I148 HydrophobicContact CB-CG1 4.43Å; I73-I148 HydrophobicContact CG2-CD1 4.2Å; I73-I148 HydrophobicContact CG2-CG1 3.85Å; F86-I148 HydrophobicContact CE1-CD1 4.19Å; F86-I148 HydrophobicContact CZ-CD1 4.44Å; I146-I148 HydrophobicContact CG2-CD1 4.43Å; I146-I148 HydrophobicContact CG2-CG1 4.03Å; I148-S150 PolarHBondContact O-N 3Å; I148-S150 VanDerWaalsContact O-N 3.13Å; I148-L151 HydrophobicContact CB-CB 4.49Å; I148-L151 PolarHBondContact N-O 3.24Å; I148-L151 WeakPolarHBondContact O-CB 3.29Å; I148-L151 PolarHBondContact O-N 3.15Å; I148-I153 HydrophobicContact CD1-CD1 4.3Å; I148-M193 HydrophobicContact CD1-CE 3.92Å; I148-M193 HydrophobicContact CD1-SD 4.2Å; I148-L226 HydrophobicContact CD1-CD1 4.39Å; I148-L226 HydrophobicContact CG2-CD1 4.42Å
149N89.2Confident95.3Very high108 Ų10826.3 Ų26.358%0.57815%0.151SC*.THydrogen-bonded Turntrans49.9-115.5-170.5-62.5-17.5000112V18 K19 L151V18-N149 HydrophobicContact CG1-CB 3.82Å; K19-N149 PolarHBondContact O-ND2 3.26Å; N149-L151 VanDerWaalsContact C-N 3.34Å
150S89.5Confident95.5Very high76 Ų7625.8 Ų25.853%0.53115%0.145SC..THydrogen-bonded Turntrans-75.7-19.1177.852.40000113.9E16 I148E16-S150 WeakPolarHBondContact OE1-CB 3.45Å; E16-S150 PolarHBondContact OE1-OG 2.97Å; I148-S150 PolarHBondContact O-N 3Å; I148-S150 VanDerWaalsContact O-N 3.13Å
151L93.3Very high95.2Very high3 Ų325.2 Ų25.22%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-78.9132.7-175.1-55174.4000110.7E16 V18 R147 I148 N149 L197 V202 M204 L226E16-L151 HydrophobicContact CG-CD2 4.33Å; E16-L151 WeakPolarHBondContact OE1-CD2 3.4Å; V18-L151 HydrophobicContact CB-CD1 3.98Å; V18-L151 HydrophobicContact CB-CG 4.32Å; V18-L151 HydrophobicContact CG1-CD1 4.26Å; V18-L151 HydrophobicContact CG1-CG 4.48Å; V18-L151 HydrophobicContact CG2-CD1 3.83Å; V18-L151 HydrophobicContact CG2-CD2 3.88Å; V18-L151 HydrophobicContact CG2-CG 3.69Å; R147-L151 VanDerWaalsContact CA-O 3.25Å; R147-L151 WeakPolarHBondContact CA-O 3.41Å; I148-L151 HydrophobicContact CB-CB 4.49Å; I148-L151 PolarHBondContact N-O 3.24Å; I148-L151 WeakPolarHBondContact O-CB 3.29Å; I148-L151 PolarHBondContact O-N 3.15Å; N149-L151 VanDerWaalsContact C-N 3.34Å; L151-L197 HydrophobicContact CB-CD1 4.15Å; L151-L197 HydrophobicContact CD1-CD1 3.99Å; L151-L197 HydrophobicContact CD1-CD2 3.97Å; L151-L197 HydrophobicContact CD2-CD1 4.21Å; L151-L197 HydrophobicContact CG-CD1 4.34Å; L151-V202 HydrophobicContact CD2-CG1 3.9Å; L151-M204 HydrophobicContact CD1-CE 4.08Å; L151-M204 HydrophobicContact CD2-CE 4.15Å; L151-L226 HydrophobicContact CD1-CB 4.47Å; L151-L226 HydrophobicContact CD1-CD1 3.48Å; L151-L226 VanDerWaalsContact CD1-CD1 3.48Å
152V94.5Very high94.4Very high70 Ų7030.6 Ų30.642%0.42416%0.163SC..EExtended strand (participates in β ladder)trans-119.4117.8173.1-175.90000107.9T145 R147 P154T145-V152 HydrophobicContact CG2-CG1 3.57Å; R147-V152 HydrophobicContact CG-CG1 4.36Å; R147-V152 HydrophobicContact CG-CG2 4.26Å; V152-P154 VanDerWaalsContact O-CD 3.29Å; V152-P154 WeakPolarHBondContact O-CD 3.34Å
153I95.9Very high93.1Very high0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-114.189.7-177.2-54.1154000107T145 I146 I148 Q156 M193 N196 L197T145-I153 WeakPolarHBondContact CA-O 3.27Å; I146-I153 HydrophobicContact CB-CB 4.41Å; I146-I153 HydrophobicContact CB-CD1 4.48Å; I146-I153 HydrophobicContact CG2-CD1 4.33Å; I146-I153 PolarHBondContact N-O 3.11Å; I146-I153 PolarHBondContact O-N 3.27Å; I148-I153 HydrophobicContact CD1-CD1 4.3Å; I153-Q156 HydrophobicContact CG2-CB 4.32Å; I153-M193 HydrophobicContact CD1-CG 3.81Å; I153-M193 HydrophobicContact CD1-SD 3.49Å; I153-M193 WeakPolarHBondContact CD1-SD 3.35Å; I153-N196 HydrophobicContact CG2-CB 4.35Å; I153-N196 WeakPolarHBondContact CG2-ND2 3.39Å; I153-L197 HydrophobicContact CD1-CB 4.25Å; I153-L197 HydrophobicContact CD1-CD1 4.1Å; I153-L197 HydrophobicContact CG1-CB 4.13Å; I153-L197 HydrophobicContact CG1-CD1 3.66Å; I153-L197 HydrophobicContact CG1-CG 4.48Å
154P96.4Very high91.4Very high37 Ų3734.6 Ų34.624%0.2418%0.184CC..EExtended strand (participates in β ladder)trans-70.3162.117832.1-36.3000111V152 Q156 N196 N200V152-P154 VanDerWaalsContact O-CD 3.29Å; V152-P154 WeakPolarHBondContact O-CD 3.34Å; P154-Q156 PolarHBondContact O-N 3.05Å; P154-Q156 VanDerWaalsContact O-N 3.13Å; P154-N196 PolarHBondContact O-ND2 3.32Å; P154-N200 WeakPolarHBondContact CD-OD1 3.37Å; P154-N200 WeakPolarHBondContact CG-OD1 3.25Å
155N96.3Very high89.3Confident116 Ų11637 Ų3762%0.6219%0.194SC*.EExtended strand (participates in β ladder)trans53.934172.6-53.5-44.6000114.3V143 A157V143-N155 HydrophobicContact CG1-CB 4.32Å; N155-A157 PolarHBondContact O-N 3.33Å
156Q97.8Very high87.2Confident2 Ų237.9 Ų37.91%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-81121.3177.3-177.955.152.500110.1V143 D144 I146 I153 P154 F158 I191 N196V143-Q156 WeakPolarHBondContact CA-O 3.24Å; D144-Q156 PolarHBondContact N-O 2.84Å; D144-Q156 VanDerWaalsContact N-O 3.1Å; D144-Q156 PolarHBondContact O-N 3.19Å; I146-Q156 HydrophobicContact CD1-CB 4.18Å; I146-Q156 HydrophobicContact CD1-CG 3.56Å; I146-Q156 HydrophobicContact CG1-CB 4.02Å; I146-Q156 HydrophobicContact CG1-CG 3.99Å; I153-Q156 HydrophobicContact CG2-CB 4.32Å; P154-Q156 PolarHBondContact O-N 3.05Å; P154-Q156 VanDerWaalsContact O-N 3.13Å; Q156-F158 WeakPolarHBondContact O-CD1 3.28Å; Q156-I191 PolarHBondContact NE2-O 3.48Å; Q156-N196 VanDerWaalsContact OE1-CB 3.29Å; Q156-N196 PolarHBondContact OE1-ND2 2.76Å
157A97.2Very high84.7Confident12 Ų1242.1 Ų42.110%0.09922%0.223CC..EExtended strand (participates in β ladder)trans-78.2137.4171.500000111.1W141 S142 V143 N155 K190W141-A157 HydrophobicContact CE3-CB 4.23Å; W141-A157 HydrophobicContact CZ3-CB 4.32Å; S142-A157 CarbonylContact O-C 3.56Å; S142-A157 WeakPolarHBondContact O-CA 3.06Å; V143-A157 HydrophobicContact CG2-CB 4.17Å; N155-A157 PolarHBondContact O-N 3.33Å; A157-K190 HydrophobicContact CB-CB 4.03Å; A157-K190 HydrophobicContact CB-CD 3.97Å; A157-K190 HydrophobicContact CB-CG 4.12Å
158F96.6Very high82.4Confident0 Ų041.9 Ų41.90%023%0.226CC..EExtended strand (participates in β ladder)trans-149.9158.2173.659.6-89.1000110.9V75 T93 F95 Y113 S142 D144 Q156 E160V75-F158 HydrophobicContact CG1-CE1 4.05Å; V75-F158 HydrophobicContact CG1-CZ 4.08Å; T93-F158 HydrophobicContact CG2-CB 3.8Å; T93-F158 CarbonylContact O-C 3.54Å; T93-F158 VanDerWaalsContact O-CA 3.22Å; T93-F158 WeakPolarHBondContact O-CA 3.3Å; T93-F158 WeakPolarHBondContact O-CB 3.27Å; F95-F158 HydrophobicContact CD2-CB 4.33Å; F95-F158 HydrophobicContact CD2-CD1 4.31Å; F95-F158 AromaticContact CD2-CD2 3.37Å; F95-F158 HydrophobicContact CD2-CD2 3.37Å; F95-F158 AromaticContact CD2-CE2 3.63Å; F95-F158 HydrophobicContact CD2-CE2 3.63Å; F95-F158 AromaticContact CD2-CG 3.75Å; F95-F158 HydrophobicContact CD2-CG 3.75Å; F95-F158 HydrophobicContact CD2-CZ 4.2Å; F95-F158 HydrophobicContact CE2-CB 4.07Å; F95-F158 AromaticContact CE2-CD1 3.96Å; F95-F158 HydrophobicContact CE2-CD1 3.96Å; F95-F158 AromaticContact CE2-CD2 3.83Å; F95-F158 HydrophobicContact CE2-CD2 3.83Å; F95-F158 HydrophobicContact CE2-CE1 4.36Å; F95-F158 HydrophobicContact CE2-CE2 4.24Å; F95-F158 AromaticContact CE2-CG 3.67Å; F95-F158 HydrophobicContact CE2-CG 3.67Å; F95-F158 HydrophobicContact CE2-CZ 4.49Å; F95-F158 HydrophobicContact CG-CD2 4.32Å; Y113-F158 AromaticContact CD1-CE2 3.8Å; Y113-F158 HydrophobicContact CD1-CE2 3.8Å; Y113-F158 HydrophobicContact CD1-CZ 4.04Å; Y113-F158 HydrophobicContact CD2-CZ 4.5Å; Y113-F158 AromaticContact CE1-CE2 3.73Å; Y113-F158 HydrophobicContact CE1-CE2 3.73Å; Y113-F158 AromaticContact CE1-CZ 3.58Å; Y113-F158 HydrophobicContact CE1-CZ 3.58Å; Y113-F158 HydrophobicContact CE2-CZ 4.11Å; Y113-F158 HydrophobicContact CG-CE2 4.33Å; Y113-F158 HydrophobicContact CG-CZ 4.47Å; Y113-F158 AromaticContact CZ-CZ 3.63Å; S142-F158 PolarHBondContact N-O 2.98Å; S142-F158 PolarHBondContact O-N 2.83Å; S142-F158 VanDerWaalsContact O-O 3.12Å; D144-F158 HydrophobicContact CB-CE1 3.71Å; D144-F158 HydrophobicContact CB-CZ 4.13Å; Q156-F158 WeakPolarHBondContact O-CD1 3.28Å; F158-E160 HydrophobicContact CD2-CG 4.38Å; F158-E160 HydrophobicContact CE2-CG 3.79Å
159G94.5Very high80.6Confident0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-80.8130.6171.500000111.9T93 W94 F95 F140 M161T93-G159 PolarHBondContact O-N 3.1Å; W94-G159 CarbonylContact C-O 3.58Å; W94-G159 WeakPolarHBondContact CA-O 3.38Å; W94-G159 WeakPolarHBondContact CB-O 3.47Å; F95-G159 PolarHBondContact N-O 2.7Å; F140-G159 CarbonylContact O-C 3.59Å; G159-M161 WeakPolarHBondContact O-CE 3.21Å
160E93.2Very high78.7Confident0 Ų040.6 Ų40.60%022%0.215CC..EExtended strand (participates in β ladder)trans-90.3105.1165.2-83-164.2-110.100109.7S97 Y113 S115 G139 F140 S142 F158S97-E160 PolarHBondContact OG-OE2 3.32Å; Y113-E160 HydrophobicContact CD1-CG 3.74Å; Y113-E160 VanDerWaalsContact CE1-CD 3.47Å; Y113-E160 HydrophobicContact CE1-CG 3.94Å; Y113-E160 WeakPolarHBondContact CE1-OE1 3.25Å; S115-E160 PolarHBondContact OG-OE1 3.07Å; S115-E160 PolarHBondContact OG-OE2 3.13Å; G139-E160 WeakPolarHBondContact CA-O 3.36Å; F140-E160 HydrophobicContact CD1-CB 4.16Å; F140-E160 HydrophobicContact CD2-CB 4.33Å; F140-E160 HydrophobicContact CE1-CB 3.62Å; F140-E160 HydrophobicContact CE2-CB 3.84Å; F140-E160 HydrophobicContact CE2-CG 4.2Å; F140-E160 WeakPolarHBondContact CE2-OE1 3.19Å; F140-E160 HydrophobicContact CG-CB 4.48Å; F140-E160 HydrophobicContact CZ-CB 3.44Å; F140-E160 VanDerWaalsContact CZ-CB 3.44Å; F140-E160 VanDerWaalsContact CZ-CD 3.4Å; F140-E160 HydrophobicContact CZ-CG 4Å; F140-E160 WeakPolarHBondContact CZ-OE1 3.03Å; F140-E160 PolarHBondContact N-O 3.41Å; F140-E160 VanDerWaalsContact N-O 3.13Å; F140-E160 PolarHBondContact O-N 3.5Å; S142-E160 WeakPolarHBondContact CB-OE1 3.31Å; S142-E160 PolarHBondContact OG-OE1 3.19Å; F158-E160 HydrophobicContact CD2-CG 4.38Å; F158-E160 HydrophobicContact CE2-CG 3.79Å
161M86.9Confident76.9Confident3 Ų337.4 Ų37.42%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-83.2131.1-174.4-67.7-46.993.100110.5W94 F95 S97 F128 L137 G159 I164W94-M161 HydrophobicContact CB-CE 3.68Å; W94-M161 HydrophobicContact CB-CG 4.09Å; W94-M161 HydrophobicContact CB-SD 4.35Å; W94-M161 HydrophobicContact CD2-CG 3.8Å; W94-M161 HydrophobicContact CE3-CB 4.42Å; W94-M161 HydrophobicContact CE3-CG 3.5Å; W94-M161 VanDerWaalsContact CE3-CG 3.5Å; W94-M161 HydrophobicContact CG-CE 4.41Å; W94-M161 HydrophobicContact CG-CG 4.1Å; W94-M161 HydrophobicContact CG-SD 4.48Å; W94-M161 HydrophobicContact CZ3-CG 4.18Å; F95-M161 PolarHBondContact O-N 3.34Å; S97-M161 VanDerWaalsContact CB-O 3.26Å; S97-M161 WeakPolarHBondContact CB-O 3.42Å; S97-M161 PolarHBondContact N-O 3.28Å; F128-M161 HydrophobicContact CB-CE 4.42Å; F128-M161 HydrophobicContact CD1-CE 2.97Å; F128-M161 HydrophobicContact CD1-SD 3.62Å; F128-M161 HydrophobicContact CE1-CE 3.24Å; F128-M161 HydrophobicContact CE1-SD 3.63Å; F128-M161 HydrophobicContact CG-CE 3.9Å; F128-M161 HydrophobicContact CZ-CE 4.36Å; L137-M161 HydrophobicContact CB-SD 3.98Å; G159-M161 WeakPolarHBondContact O-CE 3.21Å; M161-I164 HydrophobicContact CB-CD1 3.24Å; M161-I164 HydrophobicContact CB-CG1 3.55Å; M161-I164 HydrophobicContact CG-CD1 3.74Å; M161-I164 HydrophobicContact CG-CG1 4.03Å
162R80.3Confident75.1Confident116 Ų11637.6 Ų37.644%0.43820%0.195SC..SBendtrans-98.3-27.7178.5-63.4-171.1177.7162.25.1113.2K99 S138 F140K99-R162 WeakPolarHBondContact O-CD 3.19Å; K99-R162 WeakPolarHBondContact O-CG 3.35Å; S138-R162 PolarHBondContact O-N 2.95Å; F140-R162 HydrophobicContact CD1-CG 4.32Å; F140-R162 VanDerWaalsContact CD1-NE 3.32Å; F140-R162 HydrophobicContact CE1-CG 4.12Å
163N69.1Low73.8Confident101 Ų10137.5 Ų37.554%0.5419%0.188SC..  trans-11643.7-167.1-64.1-10.6000112.9S138 F165S138-N163 PolarHBondContact OG-ND2 2.86Å; S138-N163 VanDerWaalsContact OG-ND2 3.08Å; N163-F165 PolarHBondContact O-N 3.42Å
164I62.8Low72.6Confident7 Ų738.2 Ų38.24%0.03619%0.191CC..  trans-76.5-9.9-178.1-78.4165.5000113.5W94 A96 L137 M161 S166 Y169W94-I164 HydrophobicContact CE3-CD1 3.96Å; W94-I164 HydrophobicContact CH2-CD1 4.15Å; W94-I164 HydrophobicContact CZ3-CD1 3.38Å; W94-I164 HydrophobicContact CZ3-CG1 4.19Å; A96-I164 VanDerWaalsContact CA-CD1 3.46Å; A96-I164 HydrophobicContact CB-CD1 3.45Å; A96-I164 VanDerWaalsContact CB-CD1 3.45Å; L137-I164 HydrophobicContact CD1-CG1 4.23Å; L137-I164 HydrophobicContact CD2-CG1 4.34Å; M161-I164 HydrophobicContact CB-CD1 3.24Å; M161-I164 HydrophobicContact CB-CG1 3.55Å; M161-I164 HydrophobicContact CG-CD1 3.74Å; M161-I164 HydrophobicContact CG-CG1 4.03Å; I164-S166 VanDerWaalsContact C-N 3.26Å; I164-S166 PolarHBondContact O-N 3.4Å; I164-Y169 HydrophobicContact CG2-CD1 4.37Å; I164-Y169 HydrophobicContact CG2-CD2 3.12Å; I164-Y169 HydrophobicContact CG2-CE2 3.61Å; I164-Y169 HydrophobicContact CG2-CG 3.57Å
165F55.7Low72.1Confident53 Ų5336.6 Ų36.623%0.23218%0.181CC..  trans-83.864.6-166.1-49.8-79.7000113.2C100 D104 F106 C107 F112 N163C100-F165 HydrophobicContact CB-CE2 4.26Å; D104-F165 HydrophobicContact CB-CE2 4.41Å; D104-F165 WeakPolarHBondContact OD2-CD2 3.49Å; D104-F165 WeakPolarHBondContact OD2-CE2 3.04Å; D104-F165 WeakPolarHBondContact OD2-CG 3.42Å; F106-F165 HydrophobicContact CB-CD1 3.37Å; F106-F165 HydrophobicContact CB-CE1 3.29Å; F106-F165 HydrophobicContact CB-CG 4.39Å; F106-F165 HydrophobicContact CB-CZ 4.26Å; F106-F165 HydrophobicContact CD2-CD1 4.28Å; F106-F165 HydrophobicContact CG-CD1 4.12Å; F106-F165 HydrophobicContact CG-CE1 4.47Å; C107-F165 HydrophobicContact CB-CE1 4.48Å; C107-F165 HydrophobicContact CB-CE2 4.35Å; C107-F165 HydrophobicContact CB-CZ 3.63Å; F112-F165 HydrophobicContact CD2-CZ 4.44Å; F112-F165 AromaticContact CE2-CE1 3.63Å; F112-F165 HydrophobicContact CE2-CE1 3.63Å; F112-F165 AromaticContact CE2-CZ 3.49Å; F112-F165 HydrophobicContact CE2-CZ 3.49Å; F112-F165 VanDerWaalsContact CE2-CZ 3.49Å; F112-F165 AromaticContact CZ-CE1 3.94Å; F112-F165 HydrophobicContact CZ-CE1 3.94Å; F112-F165 HydrophobicContact CZ-CZ 4.26Å; N163-F165 PolarHBondContact O-N 3.42Å
166S53.7Low71.6Confident28 Ų2831.1 Ų31.120%0.19615%0.151CC..SBendtrans-77.9155.114762.30000108.8D135 I164 D168 Y169D135-S166 VanDerWaalsContact OD2-CB 3.28Å; D135-S166 WeakPolarHBondContact OD2-CB 3.35Å; D135-S166 PolarHBondContact OD2-OG 3.41Å; I164-S166 VanDerWaalsContact C-N 3.26Å; I164-S166 PolarHBondContact O-N 3.4Å; S166-D168 PolarHBondContact O-N 2.94Å; S166-Y169 PolarHBondContact O-N 3.01Å
167L44.9Very low71.2Confident88 Ų8831 Ų3146%0.46115%0.151SC..Hα-helixtrans-56.8-17176.7-82.992.9000112.4T36 Y169 F170T36-L167 HydrophobicContact CG2-CB 4.09Å; T36-L167 HydrophobicContact CG2-CD2 3.29Å; T36-L167 HydrophobicContact CG2-CG 4.29Å; L167-Y169 VanDerWaalsContact C-N 3.25Å; L167-Y169 PolarHBondContact O-N 3.29Å; L167-F170 WeakPolarHBondContact O-CB 3.4Å; L167-F170 PolarHBondContact O-N 2.9Å
168D48.2Very low71Confident59 Ų5930.4 Ų30.432%0.31615%0.146SC..Hα-helixtrans-68.5-24.9178.3-53.3-46.4000112.1R40 S166 F170 T171 S172R40-D168 IonicContact NH1-OD2 2.71Å; S166-D168 PolarHBondContact O-N 2.94Å; D168-F170 VanDerWaalsContact C-N 3.26Å; D168-F170 PolarHBondContact O-N 2.81Å; D168-T171 PolarHBondContact O-N 3.11Å; D168-T171 PolarHBondContact O-OG1 3.29Å; D168-S172 VanDerWaalsContact O-CB 3.25Å; D168-S172 WeakPolarHBondContact O-CB 3.47Å; D168-S172 PolarHBondContact O-N 3.4Å; D168-S172 PolarHBondContact O-OG 2.84Å
169Y57.2Low70.8Confident9 Ų930.4 Ų30.44%0.03515%0.146CC..Hα-helixtrans-68-28.4170.4-161.1-98.1000112.5F110 F112 I164 S166 L167 T171 S172 Y174 D175F110-Y169 HydrophobicContact CB-CE1 4.44Å; F110-Y169 HydrophobicContact CD1-CE1 4.18Å; F110-Y169 HydrophobicContact CD2-CD1 4.02Å; F110-Y169 AromaticContact CD2-CE1 3.64Å; F110-Y169 HydrophobicContact CD2-CE1 3.64Å; F110-Y169 HydrophobicContact CE1-CE1 4.32Å; F110-Y169 AromaticContact CE2-CD1 3.8Å; F110-Y169 HydrophobicContact CE2-CD1 3.8Å; F110-Y169 AromaticContact CE2-CE1 3.82Å; F110-Y169 HydrophobicContact CE2-CE1 3.82Å; F110-Y169 AromaticContact CG-CE1 3.85Å; F110-Y169 HydrophobicContact CG-CE1 3.85Å; F110-Y169 HydrophobicContact CZ-CD1 4.21Å; F110-Y169 HydrophobicContact CZ-CE1 4.15Å; F112-Y169 AromaticContact CE1-CE1 3.62Å; F112-Y169 HydrophobicContact CE1-CE1 3.62Å; F112-Y169 AromaticContact CE1-CZ 3.6Å; F112-Y169 VanDerWaalsContact CE1-OH 3.22Å; F112-Y169 WeakPolarHBondContact CE1-OH 3.43Å; F112-Y169 HydrophobicContact CZ-CD1 4.26Å; F112-Y169 AromaticContact CZ-CE1 3.48Å; F112-Y169 HydrophobicContact CZ-CE1 3.48Å; F112-Y169 VanDerWaalsContact CZ-CE1 3.48Å; F112-Y169 AromaticContact CZ-CZ 3.8Å; I164-Y169 HydrophobicContact CG2-CD1 4.37Å; I164-Y169 HydrophobicContact CG2-CD2 3.12Å; I164-Y169 HydrophobicContact CG2-CE2 3.61Å; I164-Y169 HydrophobicContact CG2-CG 3.57Å; S166-Y169 PolarHBondContact O-N 3.01Å; L167-Y169 VanDerWaalsContact C-N 3.25Å; L167-Y169 PolarHBondContact O-N 3.29Å; Y169-T171 PolarHBondContact O-N 2.91Å; Y169-S172 PolarHBondContact O-N 3.05Å; Y169-Y174 WeakPolarHBondContact CE2-O 3.33Å; Y169-Y174 PolarHBondContact OH-O 2.89Å; Y169-D175 PolarHBondContact OH-OD1 2.81Å
170F48.9Very low70.9Confident72 Ų7230.5 Ų30.532%0.31615%0.146SC..Hα-helixtrans-64.3-26.8177-154.5-90.6000111.8L32 F106 M109 L167 D168L32-F170 HydrophobicContact CD2-CD1 4.02Å; L32-F170 HydrophobicContact CD2-CE1 3.69Å; L32-F170 HydrophobicContact CD2-CZ 4.06Å; F106-F170 HydrophobicContact CD1-CD2 4.12Å; F106-F170 HydrophobicContact CD1-CE2 4.26Å; F106-F170 AromaticContact CE1-CD2 3.64Å; F106-F170 HydrophobicContact CE1-CD2 3.64Å; F106-F170 AromaticContact CE1-CE2 3.66Å; F106-F170 HydrophobicContact CE1-CE2 3.66Å; M109-F170 HydrophobicContact CE-CE2 4.04Å; L167-F170 WeakPolarHBondContact O-CB 3.4Å; L167-F170 PolarHBondContact O-N 2.9Å; D168-F170 VanDerWaalsContact C-N 3.26Å; D168-F170 PolarHBondContact O-N 2.81Å
171T51Low70.9Confident10 Ų1030.8 Ų30.86%0.06115%0.148CC..Hα-helixtrans-97.7-22.4179.866.60000112.7A33 D168 Y169A33-T171 VanDerWaalsContact CA-CG2 3.46Å; A33-T171 HydrophobicContact CB-CG2 3.37Å; D168-T171 PolarHBondContact O-N 3.11Å; D168-T171 PolarHBondContact O-OG1 3.29Å; Y169-T171 PolarHBondContact O-N 2.91Å
172S56Low71.2Confident7 Ų731.2 Ų31.25%0.04915%0.151CC..  trans-103.4102-171.8-52.50000111.1N66 D168 Y169 Y174N66-S172 PolarHBondContact OD1-OG 3.27Å; D168-S172 VanDerWaalsContact O-CB 3.25Å; D168-S172 WeakPolarHBondContact O-CB 3.47Å; D168-S172 PolarHBondContact O-N 3.4Å; D168-S172 PolarHBondContact O-OG 2.84Å; Y169-S172 PolarHBondContact O-N 3.05Å; S172-Y174 PolarHBondContact O-N 2.82Å
173K66.6Low71.7Confident67 Ų6726.3 Ų26.329%0.29114%0.135SC..  trans-75.829.2-175.1-65.5-173.5-1731800115L25 E26 R83L25-K173 HydrophobicContact CD2-CB 4.19Å; E26-K173 IonicContact OE2-NZ 3.93Å; E26-K173 PolarHBondContact OE2-NZ 2.87Å; R83-K173 PolarHBondContact NE-O 2.91Å; R83-K173 VanDerWaalsContact NE-O 3.13Å; R83-K173 PolarHBondContact NH1-O 3.04Å; R83-K173 PolarHBondContact NH2-O 2.75Å
174Y71.8Confident72.8Confident16 Ų1628 Ų286%0.06313%0.134CC..  trans-108.5145.7176.167.9-90.2000111.4L25 F64 W94 Y169 S172 G176 I177L25-Y174 HydrophobicContact CD1-CD1 3.89Å; L25-Y174 HydrophobicContact CD2-CD1 4.28Å; F64-Y174 AromaticContact CD1-CE1 3.9Å; F64-Y174 HydrophobicContact CD1-CE1 3.9Å; F64-Y174 AromaticContact CE1-CE1 3.48Å; F64-Y174 HydrophobicContact CE1-CE1 3.48Å; F64-Y174 VanDerWaalsContact CE1-CE1 3.48Å; F64-Y174 HydrophobicContact CE1-CE2 4.31Å; F64-Y174 AromaticContact CE1-CZ 3.37Å; F64-Y174 WeakPolarHBondContact CE1-OH 3.09Å; F64-Y174 HydrophobicContact CZ-CE1 4.26Å; F64-Y174 HydrophobicContact CZ-CE2 4.4Å; F64-Y174 AromaticContact CZ-CZ 3.68Å; F64-Y174 WeakPolarHBondContact CZ-OH 3.43Å; W94-Y174 AromaticContact CH2-CE2 3.75Å; W94-Y174 HydrophobicContact CH2-CE2 3.75Å; W94-Y174 HydrophobicContact CZ2-CE2 4.26Å; Y169-Y174 WeakPolarHBondContact CE2-O 3.33Å; Y169-Y174 PolarHBondContact OH-O 2.89Å; S172-Y174 PolarHBondContact O-N 2.82Å; Y174-G176 VanDerWaalsContact CD2-O 3.3Å; Y174-G176 WeakPolarHBondContact CD2-O 3.24Å; Y174-I177 HydrophobicContact CD2-CG1 4.43Å; Y174-I177 HydrophobicContact CE2-CD1 4.26Å; Y174-I177 HydrophobicContact CE2-CG1 3.96Å
175D84.5Confident74.1Confident3 Ų332.2 Ų32.22%0.01616%0.155CC..  trans-96.7-8.6-174.6-48-50.3000112.4L82 R83 A96 Y169L82-D175 HydrophobicContact CB-CB 4.2Å; L82-D175 HydrophobicContact CD2-CB 4.05Å; R83-D175 WeakPolarHBondContact CB-OD2 3.44Å; R83-D175 IonicContact CZ-OD1 2.94Å; R83-D175 IonicContact CZ-OD2 3.89Å; R83-D175 PolarHBondContact N-OD2 2.86Å; R83-D175 IonicContact NE-OD1 3.74Å; R83-D175 IonicContact NE-OD2 3.4Å; R83-D175 PolarHBondContact NE-OD2 2.91Å; R83-D175 IonicContact NH2-OD1 3.64Å; R83-D175 PolarHBondContact NH2-OD1 3.08Å; R83-D175 IonicContact NH2-OD2 2.79Å; R83-D175 WeakPolarHBondContact O-CA 3.46Å; R83-D175 PolarHBondContact O-N 3.24Å; A96-D175 PolarHBondContact N-O 2.88Å; Y169-D175 PolarHBondContact OH-OD1 2.81Å
176G86.8Confident75.6Confident0 Ų030 Ų300%015%0.147CC..EExtended strand (participates in β ladder)trans174.7-166.4170.100000115R83 V84 L85 W94 Y174R83-G176 PolarHBondContact O-N 3.44Å; V84-G176 VanDerWaalsContact CA-O 3.29Å; V84-G176 WeakPolarHBondContact CA-O 3.39Å; L85-G176 PolarHBondContact N-O 3.33Å; W94-G176 CarbonylContact O-C 3.59Å; W94-G176 VanDerWaalsContact O-CA 3.26Å; W94-G176 WeakPolarHBondContact O-CA 3.27Å; Y174-G176 VanDerWaalsContact CD2-O 3.3Å; Y174-G176 WeakPolarHBondContact CD2-O 3.24Å
177I88.6Confident77.1Confident0 Ų035.4 Ų35.40%017%0.166CC..EExtended strand (participates in β ladder)trans-131.3134.6-176.2-57.5-175.9000109.1I62 F64 L85 T93 W94 Y132 Y174I62-I177 HydrophobicContact CD1-CD1 3.27Å; I62-I177 HydrophobicContact CD1-CG2 4.19Å; F64-I177 HydrophobicContact CE2-CD1 4.47Å; F64-I177 HydrophobicContact CZ-CD1 3.68Å; L85-I177 HydrophobicContact CB-CG1 4.46Å; L85-I177 HydrophobicContact CD2-CG2 4.49Å; L85-I177 WeakPolarHBondContact O-CA 3.47Å; T93-I177 CarbonylContact C-O 3.52Å; T93-I177 VanDerWaalsContact CA-O 3.28Å; T93-I177 WeakPolarHBondContact CA-O 3.47Å; T93-I177 WeakPolarHBondContact CG2-O 3.47Å; W94-I177 HydrophobicContact CD2-CB 4.44Å; W94-I177 HydrophobicContact CD2-CG1 4.46Å; W94-I177 HydrophobicContact CH2-CD1 4.26Å; W94-I177 HydrophobicContact CH2-CG1 4.12Å; W94-I177 HydrophobicContact CZ2-CB 4.25Å; W94-I177 HydrophobicContact CZ2-CD1 3.3Å; W94-I177 HydrophobicContact CZ2-CG1 3.46Å; W94-I177 VanDerWaalsContact CZ2-CG1 3.46Å; W94-I177 PolarHBondContact N-O 3.3Å; W94-I177 PolarHBondContact O-N 3.41Å; Y132-I177 HydrophobicContact CE2-CD1 4.41Å; Y174-I177 HydrophobicContact CD2-CG1 4.43Å; Y174-I177 HydrophobicContact CE2-CD1 4.26Å; Y174-I177 HydrophobicContact CE2-CG1 3.96Å
178I94Very high79Confident0 Ų035 Ų350%016%0.161CC..EExtended strand (participates in β ladder)trans-101.8116.6164.3-68.7-174.8000108I73 V84 L85 F86 S87 T93 F95 M180 M193I73-I178 HydrophobicContact CD1-CD1 3.75Å; I73-I178 HydrophobicContact CD1-CG1 4.45Å; I73-I178 HydrophobicContact CG2-CD1 4.21Å; V84-I178 HydrophobicContact CB-CG1 4.34Å; V84-I178 HydrophobicContact CG2-CD1 3.97Å; V84-I178 HydrophobicContact CG2-CG1 4.15Å; L85-I178 PolarHBondContact O-N 2.62Å; F86-I178 HydrophobicContact CD1-CB 3.93Å; F86-I178 HydrophobicContact CD1-CD1 4.26Å; F86-I178 HydrophobicContact CD1-CG2 4.01Å; F86-I178 HydrophobicContact CE1-CB 4.23Å; F86-I178 HydrophobicContact CE1-CD1 3.65Å; F86-I178 HydrophobicContact CE1-CG1 4.44Å; F86-I178 HydrophobicContact CE1-CG2 4.31Å; F86-I178 HydrophobicContact CZ-CD1 4.29Å; S87-I178 PolarHBondContact N-O 2.87Å; T93-I178 HydrophobicContact CG2-CG1 3.95Å; F95-I178 HydrophobicContact CE1-CG1 4.33Å; F95-I178 HydrophobicContact CZ-CG1 4.47Å; I178-M180 HydrophobicContact CG2-CG 4.14Å; I178-M180 HydrophobicContact CG2-SD 3.81Å; I178-M180 PolarHBondContact O-N 3.05Å; I178-M193 HydrophobicContact CD1-CE 4.47Å; I178-M193 HydrophobicContact CG2-CB 3.91Å; I178-M193 HydrophobicContact CG2-CE 3.69Å; I178-M193 HydrophobicContact CG2-CG 4.32Å
179G92.8Very high81.1Confident0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-67.7124.6170.400000111.9S90 D92S90-G179 CarbonylContact O-C 3.58Å; S90-G179 WeakPolarHBondContact O-CA 3.3Å; S90-G179 WeakPolarHBondContact OG-CA 3.22Å; D92-G179 PolarHBondContact O-N 3.07Å
180M94.9Very high82.8Confident2 Ų236.2 Ų36.21%0.0118%0.177CC..  trans-123.624.5-176-65.2-65.5-60.300111.7F86 S87 T88 S90 I178 M193 F194 F208 M224 L226 W249F86-M180 HydrophobicContact CB-CG 4.05Å; F86-M180 HydrophobicContact CD1-CG 4.19Å; F86-M180 HydrophobicContact CD1-SD 4.21Å; S87-M180 WeakPolarHBondContact O-CA 3.29Å; S87-M180 WeakPolarHBondContact O-CB 3.43Å; S87-M180 PolarHBondContact O-N 2.71Å; T88-M180 HydrophobicContact CG2-CB 4.04Å; S90-M180 PolarHBondContact O-N 3.04Å; S90-M180 VanDerWaalsContact O-N 3.13Å; I178-M180 HydrophobicContact CG2-CG 4.14Å; I178-M180 HydrophobicContact CG2-SD 3.81Å; I178-M180 PolarHBondContact O-N 3.05Å; M180-M193 HydrophobicContact CE-CE 4.42Å; M180-M193 HydrophobicContact SD-CE 3.52Å; M180-M193 VanDerWaalsContact SD-CE 3.52Å; M180-F194 HydrophobicContact CE-CB 4.07Å; M180-F194 HydrophobicContact CE-CD2 4.22Å; M180-F194 HydrophobicContact CE-CG 4.21Å; M180-F194 HydrophobicContact SD-CB 4.33Å; M180-F208 HydrophobicContact CB-CE2 4.4Å; M180-F208 HydrophobicContact CB-CZ 4.22Å; M180-F208 HydrophobicContact CE-CD1 3.72Å; M180-F208 HydrophobicContact CE-CD2 3.87Å; M180-F208 HydrophobicContact CE-CE1 3.74Å; M180-F208 HydrophobicContact CE-CE2 3.86Å; M180-F208 HydrophobicContact CE-CG 3.79Å; M180-F208 HydrophobicContact CE-CZ 3.8Å; M180-F208 WeakPolarHBondContact O-CZ 3.07Å; M180-M224 HydrophobicContact CE-CE 3.44Å; M180-M224 VanDerWaalsContact CE-CE 3.44Å; M180-M224 HydrophobicContact SD-CE 4.22Å; M180-L226 HydrophobicContact CE-CD2 4.42Å; M180-W249 PolarHBondContact O-NE1 2.81Å
181S93.2Very high85Confident5 Ų536.7 Ų36.74%0.03518%0.182CC..  trans-62.2170.8175.578.30000113T88 S90 I91 S183 N247 W249T88-S181 WeakPolarHBondContact O-CA 3.48Å; S90-S181 WeakPolarHBondContact O-CB 3.43Å; S90-S181 PolarHBondContact O-N 2.82Å; I91-S181 WeakPolarHBondContact CG1-OG 3.28Å; S181-S183 PolarHBondContact O-N 2.92Å; S181-S183 WeakPolarHBondContact OG-CB 3.19Å; S181-S183 PolarHBondContact OG-N 3.26Å; S181-N247 WeakPolarHBondContact CB-O 3.45Å; S181-W249 VanDerWaalsContact C-NE1 3.26Å
182S93.4Very high87.1Confident12 Ų1236.5 Ų36.58%0.08418%0.181CC..SBendtrans-74.71.3174.5590000113.6N246 N247 M248 F374S182-N246 CarbonylContact C-O 3.58Å; S182-N246 VanDerWaalsContact O-O 3.1Å; S182-N246 PolarHBondContact OG-O 2.87Å; S182-N247 VanDerWaalsContact OG-C 3.23Å; S182-N247 PolarHBondContact OG-N 2.72Å; S182-M248 VanDerWaalsContact OG-C 3.24Å; S182-M248 PolarHBondContact OG-N 2.82Å; S182-M248 PolarHBondContact OG-O 2.88Å; S182-F374 VanDerWaalsContact O-CE2 3.26Å; S182-F374 WeakPolarHBondContact O-CE2 3.5Å
183S92.4Very high89Confident14 Ų1436.2 Ų36.210%0.09818%0.179CC..  trans-74.7138.5-178.2-161.20000112.6S181 I185S181-S183 PolarHBondContact O-N 2.92Å; S181-S183 WeakPolarHBondContact OG-CB 3.19Å; S181-S183 PolarHBondContact OG-N 3.26Å; S183-I185 PolarHBondContact OG-N 2.93Å; S183-I185 PolarHBondContact OG-O 2.93Å
184R92.2Very high90.4Very high137 Ų13733.1 Ų33.152%0.51717%0.165SC..SBendtrans-84.4-20172.8-70.9175.7-174.2-87.5-5.8113.3P192 F374R184-P192 WeakPolarHBondContact O-CD 3.44Å; R184-F374 HydrophobicContact CG-CE1 3.95Å; R184-F374 HydrophobicContact CG-CZ 3.52Å
185I89.8Confident91.5Very high94 Ų9433 Ų3348%0.48217%0.166SC..SBendtrans-147141.3-177.3-163.2168.3000109.8S183S183-I185 PolarHBondContact OG-N 2.93Å; S183-I185 PolarHBondContact OG-O 2.93Å
186S87Confident92Very high7 Ų733.7 Ų33.75%0.04917%0.17CC..  trans-75.4166.9172.164.80000111.6D92 F188 G189 K190D92-S186 WeakPolarHBondContact OD1-CB 3.29Å; S186-F188 PolarHBondContact O-N 3.2Å; S186-F188 VanDerWaalsContact O-N 3.13Å; S186-F188 PolarHBondContact OG-N 3.04Å; S186-G189 PolarHBondContact O-N 3.43Å; S186-K190 WeakPolarHBondContact CB-O 3.2Å; S186-K190 PolarHBondContact N-O 2.97Å; S186-K190 WeakPolarHBondContact OG-CA 3.49Å; S186-K190 WeakPolarHBondContact OG-CB 3.43Å; S186-K190 PolarHBondContact OG-N 3.4Å; S186-K190 PolarHBondContact OG-O 2.77Å
187K84.1Confident92.4Very high141 Ų14133.7 Ų33.761%0.61317%0.17SC*.THydrogen-bonded Turntrans-53.5-29.8169.1-177.5-172.1-175.9166.60112.5T57 G189T57-K187 HydrophobicContact CG2-CD 3.41Å; T57-K187 VanDerWaalsContact CG2-CD 3.41Å; T57-K187 HydrophobicContact CG2-CG 3.92Å; T57-K187 PolarHBondContact OG1-NZ 3.19Å; K187-G189 VanDerWaalsContact C-N 3.31Å
188F86.5Confident92.6Very high80 Ų8035.7 Ų35.735%0.35118%0.18SC..THydrogen-bonded Turntrans-9110.8-176.9-56.9-81.1000113.2W141 S186 K190W141-F188 HydrophobicContact CZ2-CB 3.73Å; W141-F188 AromaticContact CZ2-CD2 3.61Å; W141-F188 HydrophobicContact CZ2-CD2 3.61Å; W141-F188 HydrophobicContact CZ2-CE2 4.4Å; W141-F188 AromaticContact CZ2-CG 3.81Å; W141-F188 HydrophobicContact CZ2-CG 3.81Å; W141-F188 AromaticContact NE1-CG 3.97Å; S186-F188 PolarHBondContact O-N 3.2Å; S186-F188 VanDerWaalsContact O-N 3.13Å; S186-F188 PolarHBondContact OG-N 3.04Å; F188-K190 HydrophobicContact CB-CG 4.26Å; F188-K190 PolarHBondContact O-N 3.02Å
189G91.2Very high92.6Very high46 Ų4639.4 Ų39.447%0.47421%0.211SC..SBendtrans74.88.2-179.500000114.2S186 K187S186-G189 PolarHBondContact O-N 3.43Å; K187-G189 VanDerWaalsContact C-N 3.31Å
190K93.2Very high92.4Very high48 Ų4842.5 Ų42.521%0.20923%0.228CC..PPolyproline II helixtrans-88.2141178.7-51.3-54.7-172.7178.30111D124 W141 A157 S186 F188 P192D124-K190 IonicContact OD2-NZ 2.6Å; D124-K190 PolarHBondContact OD2-NZ 3.19Å; W141-K190 HydrophobicContact CD2-CG 4.08Å; W141-K190 HydrophobicContact CE3-CG 3.97Å; W141-K190 HydrophobicContact CH2-CB 4.06Å; W141-K190 HydrophobicContact CH2-CG 3.75Å; W141-K190 HydrophobicContact CZ2-CG 3.82Å; W141-K190 HydrophobicContact CZ3-CB 4.16Å; W141-K190 HydrophobicContact CZ3-CG 3.82Å; A157-K190 HydrophobicContact CB-CB 4.03Å; A157-K190 HydrophobicContact CB-CD 3.97Å; A157-K190 HydrophobicContact CB-CG 4.12Å; S186-K190 WeakPolarHBondContact CB-O 3.2Å; S186-K190 PolarHBondContact N-O 2.97Å; S186-K190 WeakPolarHBondContact OG-CA 3.49Å; S186-K190 WeakPolarHBondContact OG-CB 3.43Å; S186-K190 PolarHBondContact OG-N 3.4Å; S186-K190 PolarHBondContact OG-O 2.77Å; F188-K190 HydrophobicContact CB-CG 4.26Å; F188-K190 PolarHBondContact O-N 3.02Å; K190-P192 WeakPolarHBondContact O-CD 3.36Å
191I95.2Very high91.8Very high82 Ų8245.5 Ų45.542%0.42126%0.26SS..PPolyproline II helixtrans-82.5122.7178.1-55.9177.2000108.8Q156 P195 N196Q156-I191 PolarHBondContact NE2-O 3.48Å; I191-P195 HydrophobicContact CG2-CB 4.08Å; I191-P195 HydrophobicContact CG2-CG 3.96Å; I191-N196 HydrophobicContact CB-CB 4.48Å; I191-N196 HydrophobicContact CG2-CB 3.84Å
192P95.4Very high91.5Very high6 Ų646.7 Ų46.74%0.03927%0.266CS..PPolyproline II helixtrans-60.6163.3173.7-24.835.9000112.7I91 R184 K190 F194 P195 N196I91-P192 HydrophobicContact CG2-CG 3.82Å; R184-P192 WeakPolarHBondContact O-CD 3.44Å; K190-P192 WeakPolarHBondContact O-CD 3.36Å; P192-F194 PolarHBondContact O-N 2.94Å; P192-P195 HydrophobicContact CB-CG 3.91Å; P192-P195 HydrophobicContact CG-CG 4.24Å; P192-P195 VanDerWaalsContact O-CD 3.29Å; P192-P195 WeakPolarHBondContact O-CD 3.18Å; P192-P195 VanDerWaalsContact O-CG 3.3Å; P192-P195 WeakPolarHBondContact O-CG 3.41Å; P192-N196 WeakPolarHBondContact O-CB 3.5Å; P192-N196 PolarHBondContact O-N 2.92Å; P192-N196 VanDerWaalsContact O-N 3.1Å
193M95.4Very high91.4Very high0 Ų049.7 Ų49.70%028%0.281CS..Hα-helixtrans-58-50.8-172.2-176.3-78.1-71.200113.3F86 I148 I153 I178 M180 N196 L197F86-M193 HydrophobicContact CE1-CE 4.33Å; I148-M193 HydrophobicContact CD1-CE 3.92Å; I148-M193 HydrophobicContact CD1-SD 4.2Å; I153-M193 HydrophobicContact CD1-CG 3.81Å; I153-M193 HydrophobicContact CD1-SD 3.49Å; I153-M193 WeakPolarHBondContact CD1-SD 3.35Å; I178-M193 HydrophobicContact CD1-CE 4.47Å; I178-M193 HydrophobicContact CG2-CB 3.91Å; I178-M193 HydrophobicContact CG2-CE 3.69Å; I178-M193 HydrophobicContact CG2-CG 4.32Å; M180-M193 HydrophobicContact CE-CE 4.42Å; M180-M193 HydrophobicContact SD-CE 3.52Å; M180-M193 VanDerWaalsContact SD-CE 3.52Å; M193-N196 PolarHBondContact O-N 2.86Å; M193-L197 WeakPolarHBondContact O-CB 3.46Å; M193-L197 PolarHBondContact O-N 2.9Å; M193-L197 HydrophobicContact SD-CB 4.37Å
194F95.7Very high91.4Very high2 Ų249.7 Ų49.71%0.00928%0.28CS..Hα-helixtrans-63-48.7-175.6-167.5-113.8000114M180 P192 N196 L197 L198 F208 L226 F374M180-F194 HydrophobicContact CE-CB 4.07Å; M180-F194 HydrophobicContact CE-CD2 4.22Å; M180-F194 HydrophobicContact CE-CG 4.21Å; M180-F194 HydrophobicContact SD-CB 4.33Å; P192-F194 PolarHBondContact O-N 2.94Å; F194-N196 VanDerWaalsContact C-N 3.3Å; F194-N196 PolarHBondContact O-N 3.46Å; F194-L197 HydrophobicContact CD2-CD2 4.14Å; F194-L197 HydrophobicContact CE2-CD2 4.29Å; F194-L197 WeakPolarHBondContact O-CB 3.13Å; F194-L197 PolarHBondContact O-N 2.77Å; F194-L198 HydrophobicContact CD1-CD1 4.19Å; F194-L198 HydrophobicContact CE1-CD1 3.83Å; F194-L198 HydrophobicContact CE1-CG 4.45Å; F194-L198 HydrophobicContact CZ-CD1 4.25Å; F194-L198 HydrophobicContact CZ-CD2 4.4Å; F194-L198 HydrophobicContact CZ-CG 4.46Å; F194-L198 WeakPolarHBondContact O-CG 3.26Å; F194-L198 PolarHBondContact O-N 3.08Å; F194-L198 VanDerWaalsContact O-N 3.11Å; F194-F208 AromaticContact CD1-CD1 3.86Å; F194-F208 HydrophobicContact CD1-CD1 3.86Å; F194-F208 AromaticContact CD1-CE1 3.94Å; F194-F208 HydrophobicContact CD1-CE1 3.94Å; F194-F208 HydrophobicContact CD2-CD1 4.15Å; F194-F208 AromaticContact CE1-CD1 3.67Å; F194-F208 HydrophobicContact CE1-CD1 3.67Å; F194-F208 HydrophobicContact CE1-CE1 4.08Å; F194-F208 HydrophobicContact CE2-CB 4.39Å; F194-F208 AromaticContact CE2-CD1 3.99Å; F194-F208 HydrophobicContact CE2-CD1 3.99Å; F194-F208 HydrophobicContact CG-CD1 4.11Å; F194-F208 HydrophobicContact CG-CE1 4.31Å; F194-F208 AromaticContact CZ-CD1 3.74Å; F194-F208 HydrophobicContact CZ-CD1 3.74Å; F194-L226 HydrophobicContact CD2-CD2 3.81Å; F194-L226 HydrophobicContact CE2-CD2 3.74Å; F194-F374 HydrophobicContact CD1-CB 4.07Å; F194-F374 HydrophobicContact CD1-CD1 4.4Å; F194-F374 HydrophobicContact CD1-CD2 4.13Å; F194-F374 AromaticContact CD1-CG 3.98Å; F194-F374 HydrophobicContact CD1-CG 3.98Å; F194-F374 HydrophobicContact CE1-CB 3.62Å; F194-F374 HydrophobicContact CE1-CD1 4.4Å; F194-F374 AromaticContact CE1-CG 3.99Å; F194-F374 HydrophobicContact CE1-CG 3.99Å
195P95.1Very high91.5Very high13 Ų1346.9 Ų46.98%0.08428%0.275CS..Hα-helixtrans-63.9-32.117321.1-30.4000113.3I191 P192 L198 A199 F374I191-P195 HydrophobicContact CG2-CB 4.08Å; I191-P195 HydrophobicContact CG2-CG 3.96Å; P192-P195 HydrophobicContact CB-CG 3.91Å; P192-P195 HydrophobicContact CG-CG 4.24Å; P192-P195 VanDerWaalsContact O-CD 3.29Å; P192-P195 WeakPolarHBondContact O-CD 3.18Å; P192-P195 VanDerWaalsContact O-CG 3.3Å; P192-P195 WeakPolarHBondContact O-CG 3.41Å; P195-L198 PolarHBondContact O-N 2.64Å; P195-A199 WeakPolarHBondContact O-CB 3.22Å; P195-A199 PolarHBondContact O-N 2.8Å; P195-F374 HydrophobicContact CB-CE1 4.16Å; P195-F374 HydrophobicContact CB-CZ 3.89Å; P195-F374 HydrophobicContact CG-CZ 4.16Å
196N95.8Very high91.8Very high19 Ų1944.7 Ų44.710%0.10227%0.267CS..Hα-helixtrans-67.4-41.2174.5-168.129.8000111.4I153 P154 Q156 I191 P192 M193 F194 L198 A199 N200I153-N196 HydrophobicContact CG2-CB 4.35Å; I153-N196 WeakPolarHBondContact CG2-ND2 3.39Å; P154-N196 PolarHBondContact O-ND2 3.32Å; Q156-N196 VanDerWaalsContact OE1-CB 3.29Å; Q156-N196 PolarHBondContact OE1-ND2 2.76Å; I191-N196 HydrophobicContact CB-CB 4.48Å; I191-N196 HydrophobicContact CG2-CB 3.84Å; P192-N196 WeakPolarHBondContact O-CB 3.5Å; P192-N196 PolarHBondContact O-N 2.92Å; P192-N196 VanDerWaalsContact O-N 3.1Å; M193-N196 PolarHBondContact O-N 2.86Å; F194-N196 VanDerWaalsContact C-N 3.3Å; F194-N196 PolarHBondContact O-N 3.46Å; N196-L198 PolarHBondContact O-N 2.98Å; N196-A199 PolarHBondContact O-N 2.63Å; N196-N200 PolarHBondContact O-N 2.71Å; N196-N200 PolarHBondContact O-ND2 3.19Å; N196-N200 PolarHBondContact OD1-ND2 3.01Å
197L94.7Very high92.3Very high0 Ų045.3 Ų45.30%027%0.27CS..Hα-helixtrans-55-49.7173.2171.569000111.2L151 I153 M193 F194 A199 N200 V202 M204 L226L151-L197 HydrophobicContact CB-CD1 4.15Å; L151-L197 HydrophobicContact CD1-CD1 3.99Å; L151-L197 HydrophobicContact CD1-CD2 3.97Å; L151-L197 HydrophobicContact CD2-CD1 4.21Å; L151-L197 HydrophobicContact CG-CD1 4.34Å; I153-L197 HydrophobicContact CD1-CB 4.25Å; I153-L197 HydrophobicContact CD1-CD1 4.1Å; I153-L197 HydrophobicContact CG1-CB 4.13Å; I153-L197 HydrophobicContact CG1-CD1 3.66Å; I153-L197 HydrophobicContact CG1-CG 4.48Å; M193-L197 WeakPolarHBondContact O-CB 3.46Å; M193-L197 PolarHBondContact O-N 2.9Å; M193-L197 HydrophobicContact SD-CB 4.37Å; F194-L197 HydrophobicContact CD2-CD2 4.14Å; F194-L197 HydrophobicContact CE2-CD2 4.29Å; F194-L197 WeakPolarHBondContact O-CB 3.13Å; F194-L197 PolarHBondContact O-N 2.77Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 2.86Å; L197-N200 PolarHBondContact O-N 2.93Å; L197-V202 HydrophobicContact CD1-CB 4.42Å; L197-V202 HydrophobicContact CD1-CG2 3.77Å; L197-M204 HydrophobicContact CD2-SD 4.08Å; L197-L226 HydrophobicContact CD2-CD1 4.24Å
198L93.6Very high93Very high41 Ų4138.6 Ų38.622%0.21524%0.241CC..Hα-helixtrans-63.1-38.5177.7-63.2174000112.1F194 P195 N196 N200 G201 P206 F374F194-L198 HydrophobicContact CD1-CD1 4.19Å; F194-L198 HydrophobicContact CE1-CD1 3.83Å; F194-L198 HydrophobicContact CE1-CG 4.45Å; F194-L198 HydrophobicContact CZ-CD1 4.25Å; F194-L198 HydrophobicContact CZ-CD2 4.4Å; F194-L198 HydrophobicContact CZ-CG 4.46Å; F194-L198 WeakPolarHBondContact O-CG 3.26Å; F194-L198 PolarHBondContact O-N 3.08Å; F194-L198 VanDerWaalsContact O-N 3.11Å; P195-L198 PolarHBondContact O-N 2.64Å; N196-L198 PolarHBondContact O-N 2.98Å; L198-N200 VanDerWaalsContact C-N 3.26Å; L198-N200 PolarHBondContact O-N 2.69Å; L198-G201 PolarHBondContact O-N 2.78Å; L198-P206 HydrophobicContact CD1-CB 3.79Å; L198-P206 HydrophobicContact CD2-CB 4.24Å; L198-F374 HydrophobicContact CD1-CD1 3.99Å; L198-F374 HydrophobicContact CD1-CE1 4.37Å
199A93Very high93.5Very high78 Ų7834.8 Ų34.865%0.64522%0.224SC*.Hα-helixtrans-68.3-22.7178.800000113.6P195 N196 L197 G201P195-A199 WeakPolarHBondContact O-CB 3.22Å; P195-A199 PolarHBondContact O-N 2.8Å; N196-A199 PolarHBondContact O-N 2.63Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 2.86Å; A199-G201 PolarHBondContact O-N 3.49Å
200N89.8Confident93.8Very high65 Ų6532.9 Ų32.935%0.34820%0.203SC..THydrogen-bonded Turntrans-76.56.9175.6-81.7-81.1000113.6P154 N196 L197 L198 V202P154-N200 WeakPolarHBondContact CD-OD1 3.37Å; P154-N200 WeakPolarHBondContact CG-OD1 3.25Å; N196-N200 PolarHBondContact O-N 2.71Å; N196-N200 PolarHBondContact O-ND2 3.19Å; N196-N200 PolarHBondContact OD1-ND2 3.01Å; L197-N200 PolarHBondContact O-N 2.93Å; L198-N200 VanDerWaalsContact C-N 3.26Å; L198-N200 PolarHBondContact O-N 2.69Å; N200-V202 VanDerWaalsContact C-N 3.33Å; N200-V202 PolarHBondContact O-N 3.32Å
201G82.4Confident93.9Very high66 Ų6631 Ų3168%0.6819%0.194SC*.THydrogen-bonded Turntrans76.619.2172.300000114.2L198 A199 N203L198-G201 PolarHBondContact O-N 2.78Å; A199-G201 PolarHBondContact O-N 3.49Å; G201-N203 PolarHBondContact O-N 3.22Å
202V86.3Confident93.7Very high29 Ų2927.2 Ų27.218%0.17618%0.175CC..  trans-63.1124.3171.6-176.90000108.3E16 L151 L197 N200 M204E16-V202 HydrophobicContact CB-CG1 4.39Å; E16-V202 WeakPolarHBondContact OE2-CG1 3.44Å; L151-V202 HydrophobicContact CD2-CG1 3.9Å; L197-V202 HydrophobicContact CD1-CB 4.42Å; L197-V202 HydrophobicContact CD1-CG2 3.77Å; N200-V202 VanDerWaalsContact C-N 3.33Å; N200-V202 PolarHBondContact O-N 3.32Å; V202-M204 HydrophobicContact CB-CB 4.49Å; V202-M204 HydrophobicContact CG1-CB 3.87Å; V202-M204 PolarHBondContact O-N 3.39Å
203N90.1Very high93.1Very high75 Ų7527.6 Ų27.640%0.40118%0.177SC..  trans-72.578.7178-177.748.7000109.7L13 L14 C15 E16 G201L13-N203 PolarHBondContact O-ND2 2.88Å; L14-N203 PolarHBondContact O-ND2 3.09Å; C15-N203 CarbonylContact C-O 3.53Å; C15-N203 VanDerWaalsContact CA-O 3.26Å; C15-N203 WeakPolarHBondContact CA-O 3.04Å; E16-N203 PolarHBondContact N-O 3.35Å; G201-N203 PolarHBondContact O-N 3.22Å
204M92.9Very high92Very high15 Ų1530 Ų307%0.07419%0.188CC..  trans-139.9140.2-170.7175177.3-77.500109.5E16 V18 L151 L197 V202 L226 G227E16-M204 HydrophobicContact CB-CE 4.49Å; E16-M204 WeakPolarHBondContact O-CE 3.34Å; V18-M204 HydrophobicContact CG2-CE 4.25Å; L151-M204 HydrophobicContact CD1-CE 4.08Å; L151-M204 HydrophobicContact CD2-CE 4.15Å; L197-M204 HydrophobicContact CD2-SD 4.08Å; V202-M204 HydrophobicContact CB-CB 4.49Å; V202-M204 HydrophobicContact CG1-CB 3.87Å; V202-M204 PolarHBondContact O-N 3.39Å; M204-L226 HydrophobicContact CE-CB 3.83Å; M204-L226 HydrophobicContact SD-CB 3.88Å; M204-G227 VanDerWaalsContact SD-CA 3.58Å; M204-G227 PolarHBondContact SD-N 2.9Å
205D95Very high90.6Very high77 Ų7734.3 Ų34.341%0.41221%0.208SC..  trans-63.5140.4172.7-71.9-14.9000109.8C15 I207 G227C15-D205 PolarHBondContact SG-OD1 2.83Å; C15-D205 VanDerWaalsContact SG-OD1 3.34Å; D205-I207 HydrophobicContact CB-CG1 4.16Å; D205-I207 PolarHBondContact O-N 2.96Å; D205-G227 WeakPolarHBondContact O-CA 3.38Å
206P96.2Very high88.9Confident48 Ų4838.3 Ų38.331%0.31223%0.229SC..SBendtrans-77.449.9-176.735.1-39.2000111.7L198 F374 G375L198-P206 HydrophobicContact CD1-CB 3.79Å; L198-P206 HydrophobicContact CD2-CB 4.24Å; P206-F374 WeakPolarHBondContact O-CA 3.38Å; P206-F374 VanDerWaalsContact O-CB 3.24Å; P206-F374 WeakPolarHBondContact O-CB 3.2Å; P206-F374 PolarHBondContact O-N 2.67Å; P206-G375 PolarHBondContact O-N 2.9Å; P206-G375 VanDerWaalsContact O-N 3.1Å
207I97.5Very high87.1Confident21 Ų2141.2 Ų41.211%0.10826%0.263CS..EExtended strand (participates in β ladder)trans-131.1154.8179.575.5175.9000109.9D205 G227 V371 F372 D373D205-I207 HydrophobicContact CB-CG1 4.16Å; D205-I207 PolarHBondContact O-N 2.96Å; I207-G227 WeakPolarHBondContact O-CA 3.04Å; I207-G227 PolarHBondContact O-N 3.13Å; I207-V371 HydrophobicContact CB-CG1 4.28Å; I207-V371 HydrophobicContact CD1-CG1 4.24Å; I207-F372 VanDerWaalsContact CA-O 3.31Å; I207-F372 WeakPolarHBondContact CA-O 3.3Å; I207-D373 HydrophobicContact CG2-CB 3.89Å
208F98Very high85.6Confident0 Ų042 Ų420%027%0.27CS..EExtended strand (participates in β ladder)trans-140.9157.9163.458.6-89.7000109.5T88 M180 F194 F210 M224 V225 L226 W249 F372T88-F208 HydrophobicContact CG2-CE2 3.83Å; T88-F208 HydrophobicContact CG2-CZ 4.24Å; M180-F208 HydrophobicContact CB-CE2 4.4Å; M180-F208 HydrophobicContact CB-CZ 4.22Å; M180-F208 HydrophobicContact CE-CD1 3.72Å; M180-F208 HydrophobicContact CE-CD2 3.87Å; M180-F208 HydrophobicContact CE-CE1 3.74Å; M180-F208 HydrophobicContact CE-CE2 3.86Å; M180-F208 HydrophobicContact CE-CG 3.79Å; M180-F208 HydrophobicContact CE-CZ 3.8Å; M180-F208 WeakPolarHBondContact O-CZ 3.07Å; F194-F208 AromaticContact CD1-CD1 3.86Å; F194-F208 HydrophobicContact CD1-CD1 3.86Å; F194-F208 AromaticContact CD1-CE1 3.94Å; F194-F208 HydrophobicContact CD1-CE1 3.94Å; F194-F208 HydrophobicContact CD2-CD1 4.15Å; F194-F208 AromaticContact CE1-CD1 3.67Å; F194-F208 HydrophobicContact CE1-CD1 3.67Å; F194-F208 HydrophobicContact CE1-CE1 4.08Å; F194-F208 HydrophobicContact CE2-CB 4.39Å; F194-F208 AromaticContact CE2-CD1 3.99Å; F194-F208 HydrophobicContact CE2-CD1 3.99Å; F194-F208 HydrophobicContact CG-CD1 4.11Å; F194-F208 HydrophobicContact CG-CE1 4.31Å; F194-F208 AromaticContact CZ-CD1 3.74Å; F194-F208 HydrophobicContact CZ-CD1 3.74Å; F208-F210 HydrophobicContact CD2-CD2 4.17Å; F208-F210 AromaticContact CD2-CE2 3.69Å; F208-F210 HydrophobicContact CD2-CE2 3.69Å; F208-F210 HydrophobicContact CE2-CD2 4.47Å; F208-F210 AromaticContact CE2-CE2 3.87Å; F208-F210 HydrophobicContact CE2-CE2 3.87Å; F208-M224 HydrophobicContact CB-CE 4.37Å; F208-M224 HydrophobicContact CD2-CE 4.48Å; F208-V225 CarbonylContact C-O 3.53Å; F208-V225 WeakPolarHBondContact CA-O 3.33Å; F208-V225 WeakPolarHBondContact CB-O 3.33Å; F208-L226 HydrophobicContact CB-CD2 3.99Å; F208-W249 AromaticContact CE1-CZ2 3.87Å; F208-W249 HydrophobicContact CE1-CZ2 3.87Å; F208-W249 AromaticContact CZ-CE2 3.99Å; F208-W249 AromaticContact CZ-CZ2 3.82Å; F208-W249 HydrophobicContact CZ-CZ2 3.82Å; F208-W249 AromaticContact CZ-NE1 3.82Å; F208-F372 HydrophobicContact CD1-CB 4.2Å; F208-F372 HydrophobicContact CD2-CB 3.81Å; F208-F372 AromaticContact CD2-CD2 3.72Å; F208-F372 HydrophobicContact CD2-CD2 3.72Å; F208-F372 HydrophobicContact CD2-CG 4.07Å; F208-F372 HydrophobicContact CE1-CB 3.79Å; F208-F372 HydrophobicContact CE2-CB 3.35Å; F208-F372 HydrophobicContact CE2-CD1 4.33Å; F208-F372 AromaticContact CE2-CD2 3.33Å; F208-F372 HydrophobicContact CE2-CD2 3.33Å; F208-F372 HydrophobicContact CE2-CE2 4.18Å; F208-F372 AromaticContact CE2-CG 3.41Å; F208-F372 HydrophobicContact CE2-CG 3.41Å; F208-F372 VanDerWaalsContact CE2-CG 3.41Å; F208-F372 HydrophobicContact CG-CB 4.22Å; F208-F372 HydrophobicContact CZ-CB 3.34Å; F208-F372 HydrophobicContact CZ-CD1 4.45Å; F208-F372 HydrophobicContact CZ-CD2 4.16Å; F208-F372 AromaticContact CZ-CG 3.76Å; F208-F372 HydrophobicContact CZ-CG 3.76Å; F208-F372 PolarHBondContact N-O 2.98Å; F208-F372 PolarHBondContact O-N 2.83Å
209S98.2Very high84.2Confident0 Ų045.6 Ų45.60%030%0.296CS..EExtended strand (participates in β ladder)trans-142.4158.4-176.161.80000113.3M224 V225 G228 Y369 T370S209-M224 CarbonylContact O-C 3.56Å; S209-M224 VanDerWaalsContact O-CA 3.27Å; S209-M224 WeakPolarHBondContact O-CA 3.29Å; S209-V225 PolarHBondContact N-O 2.88Å; S209-V225 PolarHBondContact O-N 3.06Å; S209-G228 PolarHBondContact OG-O 2.6Å; S209-Y369 VanDerWaalsContact CB-CE1 3.46Å; S209-Y369 WeakPolarHBondContact CB-OH 3.44Å; S209-Y369 PolarHBondContact OG-OH 3.49Å; S209-T370 CarbonylContact C-O 3.41Å; S209-T370 WeakPolarHBondContact CA-O 3.1Å; S209-T370 VanDerWaalsContact CB-O 3.28Å; S209-T370 WeakPolarHBondContact CB-O 3.43Å
210F97.4Very high83.3Confident6 Ų645.6 Ų45.63%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-128.9130-176.9-78.6-98.7000110.9L22 F86 T88 F208 L212 E223 M224 T273 M365 T370 F372L22-F210 HydrophobicContact CD1-CD1 3.7Å; L22-F210 HydrophobicContact CD1-CE1 3.81Å; F86-F210 HydrophobicContact CB-CE1 4.34Å; F86-F210 HydrophobicContact CB-CZ 3.87Å; T88-F210 HydrophobicContact CG2-CE2 4.43Å; F208-F210 HydrophobicContact CD2-CD2 4.17Å; F208-F210 AromaticContact CD2-CE2 3.69Å; F208-F210 HydrophobicContact CD2-CE2 3.69Å; F208-F210 HydrophobicContact CE2-CD2 4.47Å; F208-F210 AromaticContact CE2-CE2 3.87Å; F208-F210 HydrophobicContact CE2-CE2 3.87Å; F210-L212 HydrophobicContact CD1-CD2 4.43Å; F210-E223 WeakPolarHBondContact CA-O 3.39Å; F210-M224 HydrophobicContact CD1-CB 4.21Å; F210-M224 HydrophobicContact CE1-CB 3.92Å; F210-M224 HydrophobicContact CE1-CG 4.09Å; F210-M224 HydrophobicContact CE1-SD 4.03Å; F210-M224 HydrophobicContact CE2-CG 4.02Å; F210-M224 HydrophobicContact CE2-SD 4.02Å; F210-M224 HydrophobicContact CZ-CB 4.16Å; F210-M224 HydrophobicContact CZ-CE 4.46Å; F210-M224 HydrophobicContact CZ-CG 3.79Å; F210-M224 HydrophobicContact CZ-SD 3.45Å; F210-M224 WeakPolarHBondContact CZ-SD 3.41Å; F210-T273 HydrophobicContact CD1-CG2 3.88Å; F210-T273 HydrophobicContact CD2-CG2 3.96Å; F210-T273 HydrophobicContact CE1-CG2 3.88Å; F210-T273 HydrophobicContact CE2-CG2 3.94Å; F210-T273 HydrophobicContact CG-CG2 3.92Å; F210-T273 HydrophobicContact CZ-CG2 3.9Å; F210-M365 HydrophobicContact CB-CE 3.7Å; F210-M365 HydrophobicContact CG-CE 4.21Å; F210-T370 PolarHBondContact N-O 3.49Å; F210-T370 PolarHBondContact O-N 3.09Å; F210-F372 AromaticContact CD2-CD2 3.97Å; F210-F372 HydrophobicContact CD2-CD2 3.97Å; F210-F372 AromaticContact CD2-CE2 3.66Å; F210-F372 HydrophobicContact CD2-CE2 3.66Å; F210-F372 HydrophobicContact CE2-CD2 4.4Å; F210-F372 HydrophobicContact CE2-CE2 4.22Å
211Y94.6Very high83Confident8 Ų842.7 Ų42.73%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-110.8129.2159.1161.4-110.9000108.2N213 G222 E223 Y233 V384 N389Y211-N213 HydrophobicContact CE1-CB 4.13Å; Y211-G222 CarbonylContact O-C 3.47Å; Y211-G222 WeakPolarHBondContact O-CA 3.41Å; Y211-E223 HydrophobicContact CD1-CB 4.41Å; Y211-E223 PolarHBondContact N-O 2.9Å; Y211-E223 PolarHBondContact O-N 2.76Å; Y211-Y233 AromaticContact CD1-CD1 3.74Å; Y211-Y233 HydrophobicContact CD1-CD1 3.74Å; Y211-Y233 AromaticContact CD1-CD2 3.79Å; Y211-Y233 HydrophobicContact CD1-CD2 3.79Å; Y211-Y233 AromaticContact CD1-CE1 3.92Å; Y211-Y233 HydrophobicContact CD1-CE1 3.92Å; Y211-Y233 AromaticContact CD1-CE2 3.97Å; Y211-Y233 HydrophobicContact CD1-CE2 3.97Å; Y211-Y233 AromaticContact CD1-CG 3.69Å; Y211-Y233 HydrophobicContact CD1-CG 3.69Å; Y211-Y233 HydrophobicContact CD2-CD1 4.19Å; Y211-Y233 HydrophobicContact CD2-CG 4.02Å; Y211-Y233 AromaticContact CE1-CD1 3.62Å; Y211-Y233 HydrophobicContact CE1-CD1 3.62Å; Y211-Y233 HydrophobicContact CE1-CD2 4.46Å; Y211-Y233 AromaticContact CE1-CE1 3.62Å; Y211-Y233 HydrophobicContact CE1-CE1 3.62Å; Y211-Y233 HydrophobicContact CE1-CE2 4.46Å; Y211-Y233 HydrophobicContact CE1-CG 4.08Å; Y211-Y233 HydrophobicContact CE2-CD1 4.08Å; Y211-Y233 HydrophobicContact CE2-CG 4.38Å; Y211-Y233 HydrophobicContact CG-CD1 4.02Å; Y211-Y233 AromaticContact CG-CD2 3.93Å; Y211-Y233 HydrophobicContact CG-CD2 3.93Å; Y211-Y233 AromaticContact CG-CG 3.65Å; Y211-Y233 HydrophobicContact CG-CG 3.65Å; Y211-Y233 AromaticContact CZ-CD1 3.79Å; Y211-V384 HydrophobicContact CD2-CG1 3.98Å; Y211-V384 HydrophobicContact CD2-CG2 4.16Å; Y211-V384 HydrophobicContact CE2-CG1 3.59Å; Y211-N389 PolarHBondContact OH-OD1 2.91Å
212L90.9Very high83.5Confident2 Ų239.5 Ų39.51%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-118.6124.1172.7-55.6-179000108.6L22 Y69 F210 D362 M365 R366L22-L212 HydrophobicContact CD1-CD2 4.03Å; Y69-L212 HydrophobicContact CD2-CD1 4.25Å; Y69-L212 HydrophobicContact CD2-CD2 3.69Å; Y69-L212 HydrophobicContact CD2-CG 4.49Å; Y69-L212 HydrophobicContact CE2-CB 4.21Å; Y69-L212 HydrophobicContact CE2-CD1 3.87Å; Y69-L212 HydrophobicContact CE2-CD2 3.81Å; Y69-L212 HydrophobicContact CE2-CG 4.18Å; Y69-L212 HydrophobicContact CG-CD2 4.09Å; F210-L212 HydrophobicContact CD1-CD2 4.43Å; L212-D362 HydrophobicContact CD1-CB 3.97Å; L212-D362 WeakPolarHBondContact CD1-OD1 3.34Å; L212-M365 HydrophobicContact CD1-CB 3.76Å; L212-M365 HydrophobicContact CG-CB 4.49Å; L212-R366 HydrophobicContact CB-CG 3.93Å
213N82.8Confident83.8Confident15 Ų1539.1 Ų39.18%0.0823%0.233CC..  trans-75.5141.7177.2-167.1-4.1000110.1Y69 Y211 E215 A218 G221Y69-N213 PolarHBondContact OH-O 3.28Å; Y69-N213 VanDerWaalsContact OH-O 3.12Å; Y211-N213 HydrophobicContact CE1-CB 4.13Å; N213-E215 PolarHBondContact OD1-N 2.84Å; N213-A218 WeakPolarHBondContact ND2-CB 3.49Å; N213-G221 WeakPolarHBondContact CA-O 3.3Å; N213-G221 VanDerWaalsContact CB-O 3.29Å; N213-G221 WeakPolarHBondContact CB-O 3.24Å; N213-G221 PolarHBondContact N-O 3.31Å
214Q72.6Confident84.1Confident51 Ų5135.5 Ų35.524%0.23821%0.214CC..  trans-88.1-22.8176.5-159-172.4-23.700112.3N216 Q329Q214-N216 PolarHBondContact O-N 3.28Å; Q214-Q329 PolarHBondContact NE2-O 2.87Å
215E64.9Low84.3Confident92 Ų9234.8 Ų34.843%0.4321%0.21SC..  trans-70.4115.9-175.2-68.7-177.1-178.800112.2N213 G217 A218 N389N213-E215 PolarHBondContact OD1-N 2.84Å; E215-G217 PolarHBondContact O-N 2.91Å; E215-A218 HydrophobicContact CB-CB 4.43Å; E215-N389 WeakPolarHBondContact OE1-CA 3.42Å
216N60.8Low84.4Confident97 Ų9731.1 Ų31.152%0.51919%0.191SC..THydrogen-bonded Turntrans-66126.5172.5-73.3-38.3000109.9Q214 Y336Q214-N216 PolarHBondContact O-N 3.28Å; N216-Y336 HydrophobicContact CB-CE2 4.17Å; N216-Y336 WeakPolarHBondContact ND2-CE2 3.46Å
217G57.5Low84.4Confident79 Ų7928.9 Ų28.981%0.81418%0.176SC*.THydrogen-bonded Turntrans93.5-0.117600000115.4E215E215-G217 PolarHBondContact O-N 2.91Å
218A63.8Low84.3Confident18 Ų1828.2 Ų28.215%0.14917%0.174CC..  trans-62.4137.2169.300000110.2N213 E215 I220N213-A218 WeakPolarHBondContact ND2-CB 3.49Å; E215-A218 HydrophobicContact CB-CB 4.43Å; A218-I220 PolarHBondContact O-N 2.92Å
219P63.9Low84.3Confident116 Ų11630.1 Ų30.175%0.75319%0.186SC*.SBendtrans-62.6-27.2-178.723.9-33.3000112.6H23H23-P219 PolarHBondContact ND1-O 2.61Å
220I74.5Confident84.1Confident77 Ų7730.2 Ų30.240%0.39519%0.186SC..  trans-114114.2173-61.1175000106.9A218 G222A218-I220 PolarHBondContact O-N 2.92Å; I220-G222 VanDerWaalsContact C-N 3.35Å; I220-G222 WeakPolarHBondContact CG2-O 3.22Å
221G83.9Confident83.9Confident4 Ų434.4 Ų34.44%0.04121%0.214CC..  trans-83-12.5178.300000113.2L22 Y69 N213L22-G221 CarbonylContact O-C 3.42Å; L22-G221 WeakPolarHBondContact O-CA 3.46Å; L22-G221 PolarHBondContact O-N 2.93Å; Y69-G221 WeakPolarHBondContact CE1-O 3.21Å; N213-G221 WeakPolarHBondContact CA-O 3.3Å; N213-G221 VanDerWaalsContact CB-O 3.29Å; N213-G221 WeakPolarHBondContact CB-O 3.24Å; N213-G221 PolarHBondContact N-O 3.31Å
222G91.1Very high83.8Confident0 Ų039.2 Ų39.20%024%0.237CC..EExtended strand (participates in β ladder)trans175.8-174.3177.400000112.5L22 Y211 I220L22-G222 PolarHBondContact N-O 2.93Å; L22-G222 PolarHBondContact O-N 2.95Å; Y211-G222 CarbonylContact O-C 3.47Å; Y211-G222 WeakPolarHBondContact O-CA 3.41Å; I220-G222 VanDerWaalsContact C-N 3.35Å; I220-G222 WeakPolarHBondContact CG2-O 3.22Å
223E94.2Very high83.9Confident20 Ų2040.5 Ų40.59%0.09324%0.242CC..EExtended strand (participates in β ladder)trans-141.9132.5173.9-174.6178.786.100109.3K19 I20 F210 Y211 V225 N230 Y233K19-E223 HydrophobicContact CB-CG 4.28Å; I20-E223 WeakPolarHBondContact O-CA 3.36Å; F210-E223 WeakPolarHBondContact CA-O 3.39Å; Y211-E223 HydrophobicContact CD1-CB 4.41Å; Y211-E223 PolarHBondContact N-O 2.9Å; Y211-E223 PolarHBondContact O-N 2.76Å; E223-V225 HydrophobicContact CG-CG2 4.04Å; E223-V225 VanDerWaalsContact OE1-CG2 3.32Å; E223-V225 WeakPolarHBondContact OE1-CG2 3.5Å; E223-N230 WeakPolarHBondContact OE1-CB 3.48Å; E223-N230 PolarHBondContact OE1-ND2 2.86Å; E223-N230 PolarHBondContact OE2-ND2 2.84Å; E223-Y233 HydrophobicContact CB-CE2 4.03Å; E223-Y233 WeakPolarHBondContact OE1-CE2 3.38Å
224M96.3Very high84.4Confident0 Ų041.5 Ų41.50%025%0.245CC..EExtended strand (participates in β ladder)trans-100.3136.3163174.7179.5164.900108.7K19 I20 L22 F86 M180 F208 S209 F210 L226K19-M224 CarbonylContact C-O 3.53Å; I20-M224 HydrophobicContact CB-CB 4.29Å; I20-M224 HydrophobicContact CD1-CE 4.34Å; I20-M224 HydrophobicContact CD1-CG 4.3Å; I20-M224 HydrophobicContact CD1-SD 4.12Å; I20-M224 PolarHBondContact N-O 3.04Å; I20-M224 PolarHBondContact O-N 3.43Å; L22-M224 HydrophobicContact CD1-CB 4.1Å; L22-M224 HydrophobicContact CD2-CB 4.18Å; L22-M224 HydrophobicContact CG-CB 4.24Å; F86-M224 HydrophobicContact CB-SD 3.76Å; F86-M224 HydrophobicContact CD1-CE 4Å; F86-M224 HydrophobicContact CD1-SD 3.66Å; F86-M224 HydrophobicContact CD2-SD 3.85Å; F86-M224 HydrophobicContact CE1-CE 4.37Å; F86-M224 HydrophobicContact CE1-SD 4.16Å; F86-M224 HydrophobicContact CE2-SD 4.33Å; F86-M224 HydrophobicContact CG-CE 4.39Å; F86-M224 HydrophobicContact CG-SD 3.48Å; F86-M224 WeakPolarHBondContact CG-SD 3.34Å; F86-M224 HydrophobicContact CZ-SD 4.47Å; M180-M224 HydrophobicContact CE-CE 3.44Å; M180-M224 VanDerWaalsContact CE-CE 3.44Å; M180-M224 HydrophobicContact SD-CE 4.22Å; F208-M224 HydrophobicContact CB-CE 4.37Å; F208-M224 HydrophobicContact CD2-CE 4.48Å; S209-M224 CarbonylContact O-C 3.56Å; S209-M224 VanDerWaalsContact O-CA 3.27Å; S209-M224 WeakPolarHBondContact O-CA 3.29Å; F210-M224 HydrophobicContact CD1-CB 4.21Å; F210-M224 HydrophobicContact CE1-CB 3.92Å; F210-M224 HydrophobicContact CE1-CG 4.09Å; F210-M224 HydrophobicContact CE1-SD 4.03Å; F210-M224 HydrophobicContact CE2-CG 4.02Å; F210-M224 HydrophobicContact CE2-SD 4.02Å; F210-M224 HydrophobicContact CZ-CB 4.16Å; F210-M224 HydrophobicContact CZ-CE 4.46Å; F210-M224 HydrophobicContact CZ-CG 3.79Å; F210-M224 HydrophobicContact CZ-SD 3.45Å; F210-M224 WeakPolarHBondContact CZ-SD 3.41Å; M224-L226 HydrophobicContact CE-CD2 3.34Å; M224-L226 HydrophobicContact CE-CG 3.91Å
225V96.9Very high85.3Confident0 Ų042.6 Ų42.60%025%0.251CS..EExtended strand (participates in β ladder)trans-119.1121.5176-172.90000108.9I17 V18 K19 F208 S209 E223 N230I17-V225 HydrophobicContact CG2-CG1 3.46Å; I17-V225 VanDerWaalsContact CG2-CG1 3.46Å; V18-V225 CarbonylContact O-C 3.58Å; V18-V225 WeakPolarHBondContact O-CA 3.41Å; K19-V225 HydrophobicContact CG-CG1 4.45Å; K19-V225 HydrophobicContact CG-CG2 4.28Å; F208-V225 CarbonylContact C-O 3.53Å; F208-V225 WeakPolarHBondContact CA-O 3.33Å; F208-V225 WeakPolarHBondContact CB-O 3.33Å; S209-V225 PolarHBondContact N-O 2.88Å; S209-V225 PolarHBondContact O-N 3.06Å; E223-V225 HydrophobicContact CG-CG2 4.04Å; E223-V225 VanDerWaalsContact OE1-CG2 3.32Å; E223-V225 WeakPolarHBondContact OE1-CG2 3.5Å; V225-N230 HydrophobicContact CG2-CB 4.15Å
226L96.6Very high86.5Confident0 Ų040.7 Ų40.70%026%0.255CS..EExtended strand (participates in β ladder)trans-88.5133167.5-66.4171.3000108.6I17 V18 I20 I148 L151 M180 F194 L197 M204 F208 M224I17-L226 WeakPolarHBondContact CA-O 3.38Å; V18-L226 HydrophobicContact CB-CB 4.35Å; V18-L226 PolarHBondContact N-O 2.03Å; V18-L226 PolarHBondContact O-N 3.27Å; I20-L226 HydrophobicContact CD1-CD1 3.93Å; I20-L226 HydrophobicContact CD1-CG 4.18Å; I148-L226 HydrophobicContact CD1-CD1 4.39Å; I148-L226 HydrophobicContact CG2-CD1 4.42Å; L151-L226 HydrophobicContact CD1-CB 4.47Å; L151-L226 HydrophobicContact CD1-CD1 3.48Å; L151-L226 VanDerWaalsContact CD1-CD1 3.48Å; M180-L226 HydrophobicContact CE-CD2 4.42Å; F194-L226 HydrophobicContact CD2-CD2 3.81Å; F194-L226 HydrophobicContact CE2-CD2 3.74Å; L197-L226 HydrophobicContact CD2-CD1 4.24Å; M204-L226 HydrophobicContact CE-CB 3.83Å; M204-L226 HydrophobicContact SD-CB 3.88Å; F208-L226 HydrophobicContact CB-CD2 3.99Å; M224-L226 HydrophobicContact CE-CD2 3.34Å; M224-L226 HydrophobicContact CE-CG 3.91Å
227G96Very high88.1Confident1 Ų142.5 Ų42.51%0.0127%0.265CS..SBendtrans85.23.5174.100000116.4M204 D205 I207M204-G227 VanDerWaalsContact SD-CA 3.58Å; M204-G227 PolarHBondContact SD-N 2.9Å; D205-G227 WeakPolarHBondContact O-CA 3.38Å; I207-G227 WeakPolarHBondContact O-CA 3.04Å; I207-G227 PolarHBondContact O-N 3.13Å
228G95.9Very high90Very high6 Ų640.7 Ų40.76%0.06224%0.235CC..SBendtrans-178.2-164.4-170.800000114.2S209S209-G228 PolarHBondContact OG-O 2.6Å
229V96.8Very high91.5Very high41 Ų4141 Ų4125%0.24823%0.233CC..  trans-131.1159174.9-59.80000109.4F234 F238 Y369 V371V229-F234 HydrophobicContact CB-CE1 3.93Å; V229-F234 HydrophobicContact CG2-CE1 3.74Å; V229-F234 HydrophobicContact CG2-CZ 3.97Å; V229-F238 HydrophobicContact CG1-CE2 4.38Å; V229-F238 HydrophobicContact CG1-CZ 4.19Å; V229-Y369 WeakPolarHBondContact CA-OH 3.44Å; V229-Y369 HydrophobicContact CB-CE1 4.19Å; V229-Y369 HydrophobicContact CG1-CE1 4.13Å; V229-V371 HydrophobicContact CG1-CG2 3.55Å
230N94.7Very high93.1Very high2 Ų238.9 Ų38.91%0.01121%0.211CC..  trans-106.3107.5172.3-172.7-13000110.7K19 E223 V225 E232 Y233 F234 Y369K19-N230 PolarHBondContact NZ-ND2 3.11Å; E223-N230 WeakPolarHBondContact OE1-CB 3.48Å; E223-N230 PolarHBondContact OE1-ND2 2.86Å; E223-N230 PolarHBondContact OE2-ND2 2.84Å; V225-N230 HydrophobicContact CG2-CB 4.15Å; N230-E232 PolarHBondContact O-N 2.85Å; N230-E232 WeakPolarHBondContact OD1-CB 3.26Å; N230-E232 WeakPolarHBondContact OD1-CG 3.36Å; N230-E232 PolarHBondContact OD1-N 3.47Å; N230-E232 VanDerWaalsContact OD1-N 3.12Å; N230-Y233 HydrophobicContact CB-CD2 3.82Å; N230-Y233 HydrophobicContact CB-CE2 4.29Å; N230-Y233 WeakPolarHBondContact ND2-CE2 3.08Å; N230-Y233 PolarHBondContact O-N 2.86Å; N230-Y233 VanDerWaalsContact O-N 3.14Å; N230-F234 VanDerWaalsContact O-CD1 3.23Å; N230-F234 WeakPolarHBondContact O-CD1 3.39Å; N230-F234 WeakPolarHBondContact O-CE1 3.44Å; N230-Y369 PolarHBondContact N-OH 2.91Å
231P93.7Very high94.2Very high94 Ų9435.4 Ų35.461%0.6119%0.193SC*.THydrogen-bonded Turntrans-64.8-9.9-176.828.1-35.5000114.2Y233 F234P231-Y233 VanDerWaalsContact C-N 3.29Å; P231-F234 VanDerWaalsContact CA-CE1 3.43Å; P231-F234 HydrophobicContact CB-CE1 4.29Å; P231-F234 HydrophobicContact CB-CZ 4.27Å
232E92.2Very high94.8Very high108 Ų10839 Ų3951%0.50522%0.215SC..THydrogen-bonded Turntrans-72.7-20.6174.4-63.7-173.6-175.800113.8N230 K388N230-E232 PolarHBondContact O-N 2.85Å; N230-E232 WeakPolarHBondContact OD1-CB 3.26Å; N230-E232 WeakPolarHBondContact OD1-CG 3.36Å; N230-E232 PolarHBondContact OD1-N 3.47Å; N230-E232 VanDerWaalsContact OD1-N 3.12Å; E232-K388 IonicContact OE2-NZ 3.67Å; E232-K388 PolarHBondContact OE2-NZ 2.8Å
233Y92.7Very high95.1Very high29 Ų2940 Ų4011%0.11422%0.222CC..SBendtrans-107.91.1-169.2-64.5-50.8000114.7Y211 E223 N230 P231 V384 S385 K388Y211-Y233 AromaticContact CD1-CD1 3.74Å; Y211-Y233 HydrophobicContact CD1-CD1 3.74Å; Y211-Y233 AromaticContact CD1-CD2 3.79Å; Y211-Y233 HydrophobicContact CD1-CD2 3.79Å; Y211-Y233 AromaticContact CD1-CE1 3.92Å; Y211-Y233 HydrophobicContact CD1-CE1 3.92Å; Y211-Y233 AromaticContact CD1-CE2 3.97Å; Y211-Y233 HydrophobicContact CD1-CE2 3.97Å; Y211-Y233 AromaticContact CD1-CG 3.69Å; Y211-Y233 HydrophobicContact CD1-CG 3.69Å; Y211-Y233 HydrophobicContact CD2-CD1 4.19Å; Y211-Y233 HydrophobicContact CD2-CG 4.02Å; Y211-Y233 AromaticContact CE1-CD1 3.62Å; Y211-Y233 HydrophobicContact CE1-CD1 3.62Å; Y211-Y233 HydrophobicContact CE1-CD2 4.46Å; Y211-Y233 AromaticContact CE1-CE1 3.62Å; Y211-Y233 HydrophobicContact CE1-CE1 3.62Å; Y211-Y233 HydrophobicContact CE1-CE2 4.46Å; Y211-Y233 HydrophobicContact CE1-CG 4.08Å; Y211-Y233 HydrophobicContact CE2-CD1 4.08Å; Y211-Y233 HydrophobicContact CE2-CG 4.38Å; Y211-Y233 HydrophobicContact CG-CD1 4.02Å; Y211-Y233 AromaticContact CG-CD2 3.93Å; Y211-Y233 HydrophobicContact CG-CD2 3.93Å; Y211-Y233 AromaticContact CG-CG 3.65Å; Y211-Y233 HydrophobicContact CG-CG 3.65Å; Y211-Y233 AromaticContact CZ-CD1 3.79Å; E223-Y233 HydrophobicContact CB-CE2 4.03Å; E223-Y233 WeakPolarHBondContact OE1-CE2 3.38Å; N230-Y233 HydrophobicContact CB-CD2 3.82Å; N230-Y233 HydrophobicContact CB-CE2 4.29Å; N230-Y233 WeakPolarHBondContact ND2-CE2 3.08Å; N230-Y233 PolarHBondContact O-N 2.86Å; N230-Y233 VanDerWaalsContact O-N 3.14Å; P231-Y233 VanDerWaalsContact C-N 3.29Å; Y233-V384 VanDerWaalsContact O-CA 3.28Å; Y233-V384 WeakPolarHBondContact O-CA 3.35Å; Y233-S385 PolarHBondContact O-N 3.05Å; Y233-K388 HydrophobicContact CD1-CD 4.31Å; Y233-K388 HydrophobicContact CE1-CD 3.85Å
234F94Very high95.1Very high37 Ų3742.4 Ų42.416%0.16224%0.238CC..EExtended strand (participates in β ladder)trans-139163.1179.969.7-96.4000112.9V229 N230 P231 F238 Y369 T382 Y383V229-F234 HydrophobicContact CB-CE1 3.93Å; V229-F234 HydrophobicContact CG2-CE1 3.74Å; V229-F234 HydrophobicContact CG2-CZ 3.97Å; N230-F234 VanDerWaalsContact O-CD1 3.23Å; N230-F234 WeakPolarHBondContact O-CD1 3.39Å; N230-F234 WeakPolarHBondContact O-CE1 3.44Å; P231-F234 VanDerWaalsContact CA-CE1 3.43Å; P231-F234 HydrophobicContact CB-CE1 4.29Å; P231-F234 HydrophobicContact CB-CZ 4.27Å; F234-F238 HydrophobicContact CD1-CE2 4.45Å; F234-F238 AromaticContact CD1-CZ 3.95Å; F234-F238 HydrophobicContact CD1-CZ 3.95Å; F234-F238 HydrophobicContact CD2-CE2 4.04Å; F234-F238 HydrophobicContact CD2-CZ 4.01Å; F234-F238 HydrophobicContact CE1-CE2 4.02Å; F234-F238 AromaticContact CE1-CZ 3.9Å; F234-F238 HydrophobicContact CE1-CZ 3.9Å; F234-F238 HydrophobicContact CE2-CD2 4.48Å; F234-F238 AromaticContact CE2-CE2 3.6Å; F234-F238 HydrophobicContact CE2-CE2 3.6Å; F234-F238 AromaticContact CE2-CZ 3.98Å; F234-F238 HydrophobicContact CE2-CZ 3.98Å; F234-F238 HydrophobicContact CG-CE2 4.46Å; F234-F238 HydrophobicContact CG-CZ 4.01Å; F234-F238 AromaticContact CZ-CE2 3.59Å; F234-F238 HydrophobicContact CZ-CE2 3.59Å; F234-F238 AromaticContact CZ-CZ 3.94Å; F234-F238 HydrophobicContact CZ-CZ 3.94Å; F234-Y369 HydrophobicContact CB-CD2 4.13Å; F234-Y369 HydrophobicContact CB-CG 4.01Å; F234-Y369 HydrophobicContact CD1-CD1 4.4Å; F234-Y369 HydrophobicContact CD1-CD2 4.23Å; F234-Y369 HydrophobicContact CD1-CE1 4.39Å; F234-Y369 HydrophobicContact CD1-CE2 4.24Å; F234-Y369 HydrophobicContact CD1-CG 4.33Å; F234-T382 HydrophobicContact CB-CG2 3.6Å; F234-T382 HydrophobicContact CD2-CG2 3.9Å; F234-T382 HydrophobicContact CG-CG2 3.97Å; F234-Y383 WeakPolarHBondContact CA-O 3.06Å
235E90.2Very high94.5Very high74 Ų7445.1 Ų45.135%0.34625%0.25SS..EExtended strand (participates in β ladder)trans-134.3151.3175.460.7-169.7-155.700111T382 Y383 S385E235-T382 PolarHBondContact O-OG1 2.79Å; E235-Y383 PolarHBondContact N-O 2.9Å; E235-S385 PolarHBondContact OE2-OG 3.49Å
236G91.7Very high93.8Very high51 Ų5150.3 Ų50.353%0.52628%0.278SS..EExtended strand (participates in β ladder)trans68.8-174.9-177.200000114.2
237D93.9Very high93.3Very high135 Ų13552.7 Ų52.772%0.72229%0.291SS*.EExtended strand (participates in β ladder)trans-87.5147.3-177.4-58.3-46.9000112.6R322 T382D237-R322 PolarHBondContact O-NH1 2.91Å; D237-T382 PolarHBondContact O-OG1 3.46Å
238F96.4Very high93Very high41 Ų4154.1 Ų54.118%0.1830%0.297CS..EExtended strand (participates in β ladder)trans-70.2133.7171.4-69.9-78.1000111.8V229 F234 Y240 Y369 V371 L381 T382V229-F238 HydrophobicContact CG1-CE2 4.38Å; V229-F238 HydrophobicContact CG1-CZ 4.19Å; F234-F238 HydrophobicContact CD1-CE2 4.45Å; F234-F238 AromaticContact CD1-CZ 3.95Å; F234-F238 HydrophobicContact CD1-CZ 3.95Å; F234-F238 HydrophobicContact CD2-CE2 4.04Å; F234-F238 HydrophobicContact CD2-CZ 4.01Å; F234-F238 HydrophobicContact CE1-CE2 4.02Å; F234-F238 AromaticContact CE1-CZ 3.9Å; F234-F238 HydrophobicContact CE1-CZ 3.9Å; F234-F238 HydrophobicContact CE2-CD2 4.48Å; F234-F238 AromaticContact CE2-CE2 3.6Å; F234-F238 HydrophobicContact CE2-CE2 3.6Å; F234-F238 AromaticContact CE2-CZ 3.98Å; F234-F238 HydrophobicContact CE2-CZ 3.98Å; F234-F238 HydrophobicContact CG-CE2 4.46Å; F234-F238 HydrophobicContact CG-CZ 4.01Å; F234-F238 AromaticContact CZ-CE2 3.59Å; F234-F238 HydrophobicContact CZ-CE2 3.59Å; F234-F238 AromaticContact CZ-CZ 3.94Å; F234-F238 HydrophobicContact CZ-CZ 3.94Å; F238-Y240 HydrophobicContact CB-CD2 4.03Å; F238-Y240 HydrophobicContact CB-CE2 3.57Å; F238-Y240 HydrophobicContact CG-CE2 4.33Å; F238-Y369 AromaticContact CE1-CD1 3.73Å; F238-Y369 HydrophobicContact CE1-CD1 3.73Å; F238-Y369 HydrophobicContact CE1-CE1 4.33Å; F238-Y369 AromaticContact CZ-CD1 3.84Å; F238-Y369 HydrophobicContact CZ-CD1 3.84Å; F238-Y369 HydrophobicContact CZ-CE1 4.09Å; F238-V371 HydrophobicContact CD1-CG2 3.97Å; F238-V371 HydrophobicContact CE1-CG2 3.47Å; F238-V371 VanDerWaalsContact CE1-CG2 3.47Å; F238-V371 HydrophobicContact CE2-CG2 4.47Å; F238-V371 HydrophobicContact CZ-CG2 3.76Å; F238-L381 WeakPolarHBondContact CA-O 3.22Å; F238-T382 HydrophobicContact CD1-CG2 3.74Å; F238-T382 HydrophobicContact CE1-CG2 3.42Å; F238-T382 VanDerWaalsContact CE1-CG2 3.42Å; F238-T382 HydrophobicContact CG-CG2 4.43Å; F238-T382 HydrophobicContact CZ-CG2 3.87Å
239E96.7Very high93Very high26 Ų2654 Ų5412%0.12130%0.295CS..EExtended strand (participates in β ladder)trans-92.5121.3159.6-174.8-178.9-153.200108.8I241 R322 Y324 G380 L381E239-I241 HydrophobicContact CG-CG1 4.35Å; E239-R322 WeakPolarHBondContact OE1-CB 3.37Å; E239-R322 WeakPolarHBondContact OE2-CB 3.39Å; E239-R322 WeakPolarHBondContact OE2-CD 3.37Å; E239-Y324 WeakPolarHBondContact CB-OH 3.22Å; E239-Y324 WeakPolarHBondContact OE2-CE2 3.39Å; E239-Y324 PolarHBondContact OE2-OH 2.87Å; E239-G380 CarbonylContact O-C 3.43Å; E239-G380 WeakPolarHBondContact O-CA 3.35Å; E239-L381 PolarHBondContact N-O 3.22Å; E239-L381 PolarHBondContact O-N 2.81Å
240Y97.3Very high93Very high70 Ų7052 Ų5228%0.27528%0.283SS..EExtended strand (participates in β ladder)trans-97.5124177.7-75.8-82.9000111.5F238 V371 D373 R378 I379 G380F238-Y240 HydrophobicContact CB-CD2 4.03Å; F238-Y240 HydrophobicContact CB-CE2 3.57Å; F238-Y240 HydrophobicContact CG-CE2 4.33Å; Y240-V371 HydrophobicContact CE1-CB 4.41Å; Y240-V371 HydrophobicContact CE1-CG1 4.24Å; Y240-D373 HydrophobicContact CE1-CB 4.48Å; Y240-R378 HydrophobicContact CD1-CG 3.87Å; Y240-I379 CarbonylContact C-O 3.4Å; Y240-I379 VanDerWaalsContact CA-O 3.31Å; Y240-I379 WeakPolarHBondContact CA-O 3.25Å; Y240-G380 VanDerWaalsContact CD1-CA 3.46Å
241I97.4Very high93.1Very high4 Ų452 Ų522%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-115.1121.2-176.4-50.1156.9000108.5E239 V251 F319 R378 I379 L381E239-I241 HydrophobicContact CG-CG1 4.35Å; I241-V251 HydrophobicContact CB-CB 4.31Å; I241-V251 HydrophobicContact CB-CG1 4.05Å; I241-V251 HydrophobicContact CG2-CB 3.72Å; I241-V251 HydrophobicContact CG2-CG1 3.9Å; I241-V251 HydrophobicContact CG2-CG2 4.49Å; I241-F319 HydrophobicContact CD1-CB 3.49Å; I241-F319 VanDerWaalsContact CD1-CB 3.49Å; I241-F319 HydrophobicContact CD1-CD1 3.8Å; I241-F319 HydrophobicContact CD1-CD2 4.34Å; I241-F319 HydrophobicContact CD1-CG 3.63Å; I241-F319 HydrophobicContact CG1-CB 4.3Å; I241-R378 CarbonylContact O-C 3.57Å; I241-R378 WeakPolarHBondContact O-CA 3.2Å; I241-R378 VanDerWaalsContact O-CB 3.31Å; I241-R378 WeakPolarHBondContact O-CB 3.37Å; I241-I379 PolarHBondContact N-O 3.37Å; I241-I379 PolarHBondContact O-N 3.06Å; I241-L381 HydrophobicContact CD1-CD1 3.88Å
242P96.9Very high93.2Very high80 Ų8049 Ų4952%0.51927%0.269SS..EExtended strand (participates in β ladder)trans-64.8141.1-179.527.8-34000111
243T96.4Very high93.4Very high21 Ų2143.9 Ų43.913%0.12925%0.245CC..BIsolated β-bridgetrans-72.9141.4176.756.90000111H245 W249 A250 K377 I379T243-H245 PolarHBondContact OG1-O 2.84Å; T243-W249 HydrophobicContact CG2-CE3 3.72Å; T243-W249 HydrophobicContact CG2-CZ3 4.07Å; T243-A250 CarbonylContact C-O 3.6Å; T243-A250 WeakPolarHBondContact CA-O 3.37Å; T243-A250 WeakPolarHBondContact CB-O 3.49Å; T243-K377 PolarHBondContact N-O 2.67Å; T243-K377 PolarHBondContact OG1-O 2.99Å; T243-I379 HydrophobicContact CG2-CG1 4.29Å
244V93.6Very high93.6Very high71 Ų7145 Ų4543%0.4326%0.257SS..SBendtrans-83.9-14.2177.6-60.90000113.3A250 T268V244-A250 HydrophobicContact CG2-CB 3.81Å; V244-A250 PolarHBondContact N-O 2.85Å; V244-T268 HydrophobicContact CG2-CG2 3.76Å
245H84.3Confident93.7Very high57 Ų5743.6 Ų43.626%0.26425%0.252SS..  trans-132.3153.4-178.7-61.4-48.6000111.9W50 T243W50-H245 AromaticContact CH2-NE2 3.68Å; T243-H245 PolarHBondContact OG1-O 2.84Å
246N83.2Confident94Very high109 Ų10940 Ų4058%0.58324%0.235SC*.SBendtrans-87.3-9-178.7-74.9-41.3000114.4S182 K377S182-N246 CarbonylContact C-O 3.58Å; S182-N246 VanDerWaalsContact O-O 3.1Å; S182-N246 PolarHBondContact OG-O 2.87Å; N246-K377 PolarHBondContact OD1-NZ 3.1Å
247N85.2Confident94.2Very high50 Ų5039.6 Ų39.627%0.26722%0.22SC..SBendtrans-125.5-3.5-170.158.2-5.4000113.6P58 S181 S182P58-N247 HydrophobicContact CG-CB 4.49Å; P58-N247 WeakPolarHBondContact CG-ND2 3.49Å; S181-N247 WeakPolarHBondContact CB-O 3.45Å; S182-N247 VanDerWaalsContact OG-C 3.23Å; S182-N247 PolarHBondContact OG-N 2.72Å
248M88.9Confident94.4Very high31 Ų3133.1 Ų33.115%0.15319%0.186CC..SBendtrans-139.2152.5177.9-63.2-176.9-65.100109.8W50 S182 A250W50-M248 HydrophobicContact CZ2-CE 4.14Å; S182-M248 VanDerWaalsContact OG-C 3.24Å; S182-M248 PolarHBondContact OG-N 2.82Å; S182-M248 PolarHBondContact OG-O 2.88Å; M248-A250 HydrophobicContact CB-CB 4.44Å; M248-A250 PolarHBondContact O-N 3.47Å
249W96.3Very high94.1Very high3 Ų338.5 Ų38.51%0.01121%0.209CC..  trans-83.164.2173.8-66.8110.2000111M180 S181 F208 T243 S270 I271 F372 F374 I379M180-W249 PolarHBondContact O-NE1 2.81Å; S181-W249 VanDerWaalsContact C-NE1 3.26Å; F208-W249 AromaticContact CE1-CZ2 3.87Å; F208-W249 HydrophobicContact CE1-CZ2 3.87Å; F208-W249 AromaticContact CZ-CE2 3.99Å; F208-W249 AromaticContact CZ-CZ2 3.82Å; F208-W249 HydrophobicContact CZ-CZ2 3.82Å; F208-W249 AromaticContact CZ-NE1 3.82Å; T243-W249 HydrophobicContact CG2-CE3 3.72Å; T243-W249 HydrophobicContact CG2-CZ3 4.07Å; W249-S270 CarbonylContact O-C 3.49Å; W249-S270 WeakPolarHBondContact O-CA 3.41Å; W249-I271 PolarHBondContact O-N 3.23Å; W249-F372 HydrophobicContact CB-CD1 3.96Å; W249-F372 HydrophobicContact CB-CE1 3.82Å; W249-F372 AromaticContact CD1-CD1 3.89Å; W249-F372 HydrophobicContact CD2-CB 4.3Å; W249-F372 AromaticContact CD2-CD1 3.44Å; W249-F372 HydrophobicContact CD2-CD1 3.44Å; W249-F372 VanDerWaalsContact CD2-CD1 3.44Å; W249-F372 HydrophobicContact CD2-CE1 4.21Å; W249-F372 HydrophobicContact CD2-CG 4.31Å; W249-F372 AromaticContact CE2-CD1 3.77Å; W249-F372 HydrophobicContact CE3-CB 4.39Å; W249-F372 AromaticContact CE3-CD1 3.85Å; W249-F372 HydrophobicContact CE3-CD1 3.85Å; W249-F372 AromaticContact CG-CD1 3.49Å; W249-F372 HydrophobicContact CG-CD1 3.49Å; W249-F372 VanDerWaalsContact CG-CD1 3.49Å; W249-F372 AromaticContact CG-CE1 3.77Å; W249-F372 HydrophobicContact CG-CE1 3.77Å; W249-F372 HydrophobicContact CH2-CB 3.88Å; W249-F372 HydrophobicContact CZ2-CB 3.79Å; W249-F372 HydrophobicContact CZ2-CD1 4.42Å; W249-F372 HydrophobicContact CZ3-CB 4.2Å; W249-F372 HydrophobicContact CZ3-CD1 4.47Å; W249-F372 AromaticContact NE1-CD1 3.98Å; W249-F374 HydrophobicContact CH2-CB 4.15Å; W249-F374 HydrophobicContact CH2-CD2 4.36Å; W249-F374 HydrophobicContact CZ2-CB 4.45Å; W249-F374 HydrophobicContact CZ2-CD2 4.09Å; W249-I379 HydrophobicContact CB-CD1 3.93Å; W249-I379 HydrophobicContact CE3-CD1 4.38Å; W249-I379 HydrophobicContact CE3-CG1 3.93Å
250A96.2Very high93.9Very high0 Ų040.4 Ų40.40%024%0.236CC..EExtended strand (participates in β ladder)trans-107.2132.4-177.800000110.6T243 V244 M248 T268 A269T243-A250 CarbonylContact C-O 3.6Å; T243-A250 WeakPolarHBondContact CA-O 3.37Å; T243-A250 WeakPolarHBondContact CB-O 3.49Å; V244-A250 HydrophobicContact CG2-CB 3.81Å; V244-A250 PolarHBondContact N-O 2.85Å; M248-A250 HydrophobicContact CB-CB 4.44Å; M248-A250 PolarHBondContact O-N 3.47Å; A250-T268 HydrophobicContact CB-CG2 3.76Å; A250-A269 CarbonylContact C-O 3.59Å; A250-A269 WeakPolarHBondContact CA-O 3.41Å
251V96.9Very high93.8Very high0 Ų039.6 Ų39.60%024%0.237CC..EExtended strand (participates in β ladder)trans-126.9155.9179.3-68.40000110.9I241 M253 T268 A269 F319 I379I241-V251 HydrophobicContact CB-CB 4.31Å; I241-V251 HydrophobicContact CB-CG1 4.05Å; I241-V251 HydrophobicContact CG2-CB 3.72Å; I241-V251 HydrophobicContact CG2-CG1 3.9Å; I241-V251 HydrophobicContact CG2-CG2 4.49Å; V251-M253 PolarHBondContact O-N 2.76Å; V251-T268 WeakPolarHBondContact O-CA 3.44Å; V251-A269 WeakPolarHBondContact CG2-O 3.48Å; V251-A269 PolarHBondContact N-O 3.04Å; V251-A269 PolarHBondContact O-N 3.41Å; V251-F319 HydrophobicContact CG2-CD1 4.11Å; V251-F319 HydrophobicContact CG2-CE1 3.73Å; V251-I379 HydrophobicContact CG1-CB 4.09Å; V251-I379 HydrophobicContact CG1-CD1 3.71Å; V251-I379 HydrophobicContact CG1-CG1 3.91Å
252G96.7Very high93.7Very high31 Ų3143.2 Ų43.232%0.3225%0.254SS..EExtended strand (participates in β ladder)trans-72.8124.3172.800000111.1F319G252-F319 WeakPolarHBondContact O-CD1 3.34Å
253M97Very high93.6Very high2 Ų239.8 Ų39.81%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-106.3121.3172.1-176.7164.669.800108.9V251 L256 C267 A269 F317 I318 F319 W358V251-M253 PolarHBondContact O-N 2.76Å; M253-L256 HydrophobicContact CE-CB 4Å; M253-C267 WeakPolarHBondContact CE-SG 3.34Å; M253-C267 PolarHBondContact N-O 3.01Å; M253-C267 PolarHBondContact O-N 3.45Å; M253-A269 HydrophobicContact CB-CB 4.08Å; M253-A269 HydrophobicContact CE-CB 4.42Å; M253-A269 HydrophobicContact SD-CB 4.33Å; M253-F317 HydrophobicContact CE-CD1 4.45Å; M253-F317 HydrophobicContact SD-CB 4.14Å; M253-F317 HydrophobicContact SD-CD1 3.7Å; M253-F317 HydrophobicContact SD-CG 4.42Å; M253-I318 WeakPolarHBondContact CG-O 3.47Å; M253-F319 HydrophobicContact CB-CD1 4.04Å; M253-F319 HydrophobicContact CB-CE1 3.69Å; M253-F319 HydrophobicContact CB-CZ 4.4Å; M253-F319 HydrophobicContact CG-CD1 4.27Å; M253-F319 HydrophobicContact CG-CE1 3.92Å; M253-F319 HydrophobicContact CG-CZ 4.2Å; M253-F319 HydrophobicContact SD-CE1 4.16Å; M253-F319 HydrophobicContact SD-CZ 3.9Å; M253-W358 HydrophobicContact CE-CB 4.3Å; M253-W358 HydrophobicContact CE-CG 3.98Å
254S96.2Very high93.3Very high51 Ų5139.2 Ų39.236%0.35723%0.228SC..EExtended strand (participates in β ladder)trans-68-43.4-177.1-60.40000111.5G266 I318S254-G266 PolarHBondContact O-N 2.8Å; S254-I318 WeakPolarHBondContact CB-O 3.4Å; S254-I318 PolarHBondContact N-O 3.02Å
255S96.1Very high93.1Very high8 Ų841.9 Ų41.96%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-158.8151.6-179.4-174.50000112.3M257 E262 C264 I318S255-M257 WeakPolarHBondContact OG-CG 3.08Å; S255-M257 PolarHBondContact OG-SD 2.75Å; S255-M257 VanDerWaalsContact OG-SD 3.36Å; S255-E262 VanDerWaalsContact CB-OE1 3.29Å; S255-E262 WeakPolarHBondContact CB-OE1 3.27Å; S255-E262 WeakPolarHBondContact OG-CG 3.5Å; S255-E262 PolarHBondContact OG-OE1 3.12Å; S255-C264 VanDerWaalsContact CA-O 3.3Å; S255-C264 WeakPolarHBondContact CA-O 3.28Å; S255-C264 PolarHBondContact OG-O 3.14Å; S255-I318 PolarHBondContact N-O 2.8Å; S255-I318 PolarHBondContact O-N 2.58Å
256L97.1Very high93.5Very high0 Ų041.8 Ų41.80%025%0.254CS..EExtended strand (participates in β ladder)trans-116.8113.3166172.960.2000108.2M253 F263 C264 I288 I315 F317 F347 W358M253-L256 HydrophobicContact CE-CB 4Å; L256-F263 HydrophobicContact CB-CB 4.29Å; L256-F263 HydrophobicContact CD2-CB 4.01Å; L256-F263 HydrophobicContact CG-CB 4.06Å; L256-F263 PolarHBondContact O-N 3.21Å; L256-C264 HydrophobicContact CB-CB 4.37Å; L256-C264 PolarHBondContact N-O 2.85Å; L256-I288 HydrophobicContact CD2-CD1 4.15Å; L256-I315 HydrophobicContact CD1-CG2 3.7Å; L256-F317 HydrophobicContact CD1-CD1 3.78Å; L256-F317 HydrophobicContact CD1-CE1 3.57Å; L256-F317 HydrophobicContact CD1-CG 4.33Å; L256-F317 HydrophobicContact CD1-CZ 3.96Å; L256-F347 HydrophobicContact CD2-CE1 4.36Å; L256-W358 HydrophobicContact CD2-CD2 4.05Å; L256-W358 HydrophobicContact CD2-CE3 4.13Å; L256-W358 HydrophobicContact CD2-CH2 3.68Å; L256-W358 HydrophobicContact CD2-CZ2 3.56Å; L256-W358 HydrophobicContact CD2-CZ3 3.96Å
257M96.2Very high94Very high41 Ų4136.9 Ų36.920%0.20223%0.228CC..EExtended strand (participates in β ladder)trans-114.6133.8-176.4-58.9-68.7-70.100111.3S255 G260 V261 E262 E316 I318S255-M257 WeakPolarHBondContact OG-CG 3.08Å; S255-M257 PolarHBondContact OG-SD 2.75Å; S255-M257 VanDerWaalsContact OG-SD 3.36Å; M257-G260 WeakPolarHBondContact CE-O 3.24Å; M257-V261 WeakPolarHBondContact CA-O 3.31Å; M257-E262 HydrophobicContact CE-CB 4.33Å; M257-E262 WeakPolarHBondContact SD-CA 3.31Å; M257-E262 HydrophobicContact SD-CB 3.46Å; M257-E262 WeakPolarHBondContact SD-CB 3.2Å; M257-E262 HydrophobicContact SD-CG 3.79Å; M257-E316 HydrophobicContact CB-CB 4.19Å; M257-E316 PolarHBondContact N-O 3.39Å; M257-E316 PolarHBondContact O-N 3.4Å; M257-I318 HydrophobicContact CG-CD1 4.16Å
258I96.5Very high94.6Very high0 Ų035.9 Ų35.90%022%0.224CC..EExtended strand (participates in β ladder)trans-137.1121.8171.3-52.5177.3000108.1G260 V261 F263 I288 P313 I315 F347I258-G260 PolarHBondContact O-N 2.79Å; I258-V261 PolarHBondContact N-O 3.03Å; I258-V261 WeakPolarHBondContact O-CB 3.49Å; I258-V261 PolarHBondContact O-N 3.27Å; I258-F263 HydrophobicContact CB-CD2 4.21Å; I258-F263 HydrophobicContact CB-CE2 3.8Å; I258-F263 HydrophobicContact CD1-CD2 4.26Å; I258-F263 HydrophobicContact CD1-CE2 4.22Å; I258-F263 HydrophobicContact CG1-CD2 4.13Å; I258-F263 HydrophobicContact CG1-CE2 4.15Å; I258-I288 HydrophobicContact CD1-CB 4.28Å; I258-I288 HydrophobicContact CD1-CD1 3.95Å; I258-I288 HydrophobicContact CD1-CG1 3.88Å; I258-I288 HydrophobicContact CD1-CG2 3.5Å; I258-P313 HydrophobicContact CG2-CB 4.2Å; I258-P313 HydrophobicContact CG2-CG 3.64Å; I258-I315 HydrophobicContact CD1-CG1 4.13Å; I258-I315 HydrophobicContact CD1-CG2 4.16Å; I258-I315 HydrophobicContact CG1-CB 4.38Å; I258-I315 HydrophobicContact CG1-CG1 4.19Å; I258-I315 HydrophobicContact CG1-CG2 3.99Å; I258-F347 HydrophobicContact CD1-CE2 3.98Å; I258-F347 HydrophobicContact CD1-CZ 3.98Å
259K91.7Very high94.9Very high154 Ų15434.4 Ų34.467%0.6722%0.217SC*.THydrogen-bonded Turntrans52.639.1-179.8-160.6-176.1177.9177.40113.1V261 P313K259-V261 PolarHBondContact O-N 3.26Å; K259-P313 HydrophobicContact CB-CB 4.06Å; K259-P313 HydrophobicContact CB-CG 4.41Å
260G91.6Very high94.9Very high66 Ų6634.7 Ų34.768%0.6822%0.219SC*.THydrogen-bonded Turntrans75.3-0.8-178.300000115.4M257 I258M257-G260 WeakPolarHBondContact CE-O 3.24Å; I258-G260 PolarHBondContact O-N 2.79Å
261V95.2Very high94.9Very high52 Ų5234.8 Ų34.832%0.31522%0.22SC..EExtended strand (participates in β ladder)trans-91.9129.8174.5-177.90000109.5M257 I258 K259 F263 L291M257-V261 WeakPolarHBondContact CA-O 3.31Å; I258-V261 PolarHBondContact N-O 3.03Å; I258-V261 WeakPolarHBondContact O-CB 3.49Å; I258-V261 PolarHBondContact O-N 3.27Å; K259-V261 PolarHBondContact O-N 3.26Å; V261-F263 HydrophobicContact CB-CE2 3.9Å; V261-F263 HydrophobicContact CB-CZ 4.41Å; V261-F263 HydrophobicContact CG1-CD2 4.39Å; V261-F263 HydrophobicContact CG1-CE2 3.82Å; V261-F263 HydrophobicContact CG1-CZ 4Å; V261-F263 WeakPolarHBondContact O-CD2 3.35Å; V261-L291 HydrophobicContact CB-CD1 4.21Å; V261-L291 HydrophobicContact CG2-CD1 4.14Å
262E95Very high94.7Very high81 Ų8134.9 Ų34.938%0.37922%0.22SC..EExtended strand (participates in β ladder)trans-86.7123.2175.1-171.9163.4-121.500110.8S255 M257 C264 N265S255-E262 VanDerWaalsContact CB-OE1 3.29Å; S255-E262 WeakPolarHBondContact CB-OE1 3.27Å; S255-E262 WeakPolarHBondContact OG-CG 3.5Å; S255-E262 PolarHBondContact OG-OE1 3.12Å; M257-E262 HydrophobicContact CE-CB 4.33Å; M257-E262 WeakPolarHBondContact SD-CA 3.31Å; M257-E262 HydrophobicContact SD-CB 3.46Å; M257-E262 WeakPolarHBondContact SD-CB 3.2Å; M257-E262 HydrophobicContact SD-CG 3.79Å; E262-C264 WeakPolarHBondContact CG-O 3.26Å; E262-N265 HydrophobicContact CG-CB 4.45Å; E262-N265 PolarHBondContact OE2-ND2 3.19Å
263F94.5Very high94.5Very high7 Ų733.7 Ų33.73%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-102.1-17.4179.3-74.6-84.9000113.2L256 I258 V261 Q284 R287 I288 L291 W358L256-F263 HydrophobicContact CB-CB 4.29Å; L256-F263 HydrophobicContact CD2-CB 4.01Å; L256-F263 HydrophobicContact CG-CB 4.06Å; L256-F263 PolarHBondContact O-N 3.21Å; I258-F263 HydrophobicContact CB-CD2 4.21Å; I258-F263 HydrophobicContact CB-CE2 3.8Å; I258-F263 HydrophobicContact CD1-CD2 4.26Å; I258-F263 HydrophobicContact CD1-CE2 4.22Å; I258-F263 HydrophobicContact CG1-CD2 4.13Å; I258-F263 HydrophobicContact CG1-CE2 4.15Å; V261-F263 HydrophobicContact CB-CE2 3.9Å; V261-F263 HydrophobicContact CB-CZ 4.41Å; V261-F263 HydrophobicContact CG1-CD2 4.39Å; V261-F263 HydrophobicContact CG1-CE2 3.82Å; V261-F263 HydrophobicContact CG1-CZ 4Å; V261-F263 WeakPolarHBondContact O-CD2 3.35Å; F263-Q284 PolarHBondContact O-OE1 2.87Å; F263-R287 HydrophobicContact CE1-CB 3.74Å; F263-I288 HydrophobicContact CB-CD1 4.4Å; F263-I288 HydrophobicContact CD1-CD1 3.87Å; F263-I288 HydrophobicContact CD1-CG1 3.33Å; F263-I288 HydrophobicContact CD2-CD1 4.46Å; F263-I288 HydrophobicContact CD2-CG1 4.07Å; F263-I288 HydrophobicContact CE1-CB 4.23Å; F263-I288 HydrophobicContact CE1-CD1 4.28Å; F263-I288 HydrophobicContact CE1-CG1 3.24Å; F263-I288 HydrophobicContact CE2-CG1 4.01Å; F263-I288 HydrophobicContact CG-CD1 3.97Å; F263-I288 HydrophobicContact CG-CG1 3.75Å; F263-I288 HydrophobicContact CZ-CB 4.41Å; F263-I288 HydrophobicContact CZ-CG1 3.6Å; F263-L291 HydrophobicContact CE2-CD1 3.74Å; F263-L291 HydrophobicContact CZ-CD1 3.45Å; F263-L291 VanDerWaalsContact CZ-CD1 3.45Å; F263-L291 HydrophobicContact CZ-CG 4.33Å; F263-W358 HydrophobicContact CB-CZ2 4.43Å
264C90.1Very high93.9Very high10 Ų1033.6 Ų33.67%0.06821%0.207CC..EExtended strand (participates in β ladder)trans-147.8144.6169.4111.80000108.6S255 L256 E262 C267S255-C264 VanDerWaalsContact CA-O 3.3Å; S255-C264 WeakPolarHBondContact CA-O 3.28Å; S255-C264 PolarHBondContact OG-O 3.14Å; L256-C264 HydrophobicContact CB-CB 4.37Å; L256-C264 PolarHBondContact N-O 2.85Å; E262-C264 WeakPolarHBondContact CG-O 3.26Å; C264-C267 HydrophobicContact CB-CB 3.61Å; C264-C267 WeakPolarHBondContact CB-SG 3.33Å; C264-C267 WeakPolarHBondContact SG-CB 3.38Å; C264-C267 CovalentContact SG-SG 2.03Å; C264-C267 PolarHBondContact SG-SG 3.08Å
265N89.3Confident93.3Very high127 Ų12731.2 Ų31.268%0.67919%0.19SC*.EExtended strand (participates in β ladder)trans-129.3107.1168.9-170.8-30.9000107.5E262E262-N265 HydrophobicContact CG-CB 4.45Å; E262-N265 PolarHBondContact OE2-ND2 3.19Å
266G93Very high92.6Very high54 Ų5431 Ų3156%0.55719%0.188SC*.EExtended strand (participates in β ladder)trans6670.1-172.900000113.2S254S254-G266 PolarHBondContact O-N 2.8Å
267C95Very high92.1Very high6 Ų631.1 Ų31.14%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-113.7173.2178.662.30000112.6M253 C264 N356M253-C267 WeakPolarHBondContact CE-SG 3.34Å; M253-C267 PolarHBondContact N-O 3.01Å; M253-C267 PolarHBondContact O-N 3.45Å; C264-C267 HydrophobicContact CB-CB 3.61Å; C264-C267 WeakPolarHBondContact CB-SG 3.33Å; C264-C267 WeakPolarHBondContact SG-CB 3.38Å; C264-C267 CovalentContact SG-SG 2.03Å; C264-C267 PolarHBondContact SG-SG 3.08Å; C267-N356 WeakPolarHBondContact CA-O 3.45Å; C267-N356 HydrophobicContact CB-CB 4.35Å; C267-N356 WeakPolarHBondContact CB-O 3.03Å
268T96.2Very high92Very high30 Ų3029.2 Ų29.218%0.18418%0.179CC..EExtended strand (participates in β ladder)trans-105.7133.6173.1-60.90000109.3V244 A250 V251 N356 V357 W358V244-T268 HydrophobicContact CG2-CG2 3.76Å; A250-T268 HydrophobicContact CB-CG2 3.76Å; V251-T268 WeakPolarHBondContact O-CA 3.44Å; T268-N356 PolarHBondContact N-O 2.84Å; T268-V357 CarbonylContact O-C 3.51Å; T268-V357 WeakPolarHBondContact O-CA 3.26Å; T268-W358 PolarHBondContact O-N 3.13Å
269A96.8Very high91.8Very high0 Ų029.3 Ų29.30%018%0.18CC..EExtended strand (participates in β ladder)trans-118.5119.3175.100000110.2A250 V251 M253 F319 W358 L360A250-A269 CarbonylContact C-O 3.59Å; A250-A269 WeakPolarHBondContact CA-O 3.41Å; V251-A269 WeakPolarHBondContact CG2-O 3.48Å; V251-A269 PolarHBondContact N-O 3.04Å; V251-A269 PolarHBondContact O-N 3.41Å; M253-A269 HydrophobicContact CB-CB 4.08Å; M253-A269 HydrophobicContact CE-CB 4.42Å; M253-A269 HydrophobicContact SD-CB 4.33Å; A269-F319 HydrophobicContact CB-CE1 4.11Å; A269-F319 HydrophobicContact CB-CZ 4.4Å; A269-W358 CarbonylContact C-O 3.38Å; A269-W358 WeakPolarHBondContact CA-O 3.12Å; A269-L360 HydrophobicContact CB-CD1 3.79Å; A269-L360 HydrophobicContact CB-CG 4.07Å
270S96.3Very high92Very high9 Ų922 Ų226%0.06315%0.148CC..EExtended strand (participates in β ladder)trans-90.1128.6171.3-67.20000109.9W249 W358 I359 L360W249-S270 CarbonylContact O-C 3.49Å; W249-S270 WeakPolarHBondContact O-CA 3.41Å; S270-W358 PolarHBondContact N-O 2.76Å; S270-I359 CarbonylContact O-C 3.36Å; S270-I359 WeakPolarHBondContact O-CA 3.15Å; S270-L360 PolarHBondContact O-N 2.88Å
271I96.2Very high92.1Very high2 Ų220.9 Ų20.91%0.0113%0.125CC..EExtended strand (participates in β ladder)trans-95.5117.2175.8-49-167.8000109.5T88 W249 L360 F364 M365 T370 F372 I379 L381T88-I271 PolarHBondContact OG1-O 2.82Å; W249-I271 PolarHBondContact O-N 3.23Å; I271-L360 WeakPolarHBondContact CA-O 3.08Å; I271-F364 HydrophobicContact CD1-CE1 4.34Å; I271-M365 HydrophobicContact CG2-CE 4.37Å; I271-M365 HydrophobicContact CG2-CG 3.82Å; I271-M365 HydrophobicContact CG2-SD 3.55Å; I271-M365 VanDerWaalsContact CG2-SD 3.55Å; I271-T370 HydrophobicContact CD1-CG2 4.28Å; I271-T370 HydrophobicContact CG2-CG2 4.27Å; I271-F372 HydrophobicContact CB-CE1 4.21Å; I271-F372 HydrophobicContact CB-CZ 4.38Å; I271-F372 HydrophobicContact CG2-CE1 4.34Å; I271-F372 HydrophobicContact CG2-CZ 4Å; I271-I379 HydrophobicContact CB-CD1 4.2Å; I271-I379 HydrophobicContact CD1-CD1 3.79Å; I271-I379 HydrophobicContact CD1-CG2 3.68Å; I271-I379 HydrophobicContact CG1-CD1 3.85Å; I271-L381 HydrophobicContact CD1-CD1 4.46Å; I271-L381 HydrophobicContact CD1-CD2 3.97Å
272D92.9Very high92Very high1 Ų123.2 Ų23.21%0.00513%0.129CC..  trans-129.4107.5-168.6-176.921.7000113.4L61 T88 G89 G274 T275 I359 L360 G361L61-D272 VanDerWaalsContact O-OD2 3.11Å; T88-D272 VanDerWaalsContact OG1-CA 3.26Å; T88-D272 WeakPolarHBondContact OG1-CA 3.1Å; G89-D272 WeakPolarHBondContact CA-OD1 3.39Å; G89-D272 PolarHBondContact N-OD1 3.39Å; D272-G274 PolarHBondContact O-N 3.17Å; D272-G274 WeakPolarHBondContact OD1-CA 3.22Å; D272-G274 PolarHBondContact OD1-N 3.14Å; D272-T275 PolarHBondContact O-N 3.44Å; D272-T275 VanDerWaalsContact O-N 3.09Å; D272-T275 WeakPolarHBondContact OD2-CB 3.3Å; D272-T275 PolarHBondContact OD2-N 3.27Å; D272-T275 PolarHBondContact OD2-OG1 2.88Å; D272-I359 HydrophobicContact CB-CG2 3.64Å; D272-L360 PolarHBondContact N-O 3.42Å; D272-G361 WeakPolarHBondContact O-CA 3.41Å
273T91.5Very high91.8Very high7 Ų725.4 Ų25.44%0.04314%0.139CC..THydrogen-bonded Turntrans-69.3-12.6173.556.10000113.5F86 S87 T88 F210 T275 M365 F372F86-T273 WeakPolarHBondContact O-CB 2.9Å; F86-T273 PolarHBondContact O-OG1 2.8Å; S87-T273 WeakPolarHBondContact CA-OG1 3.13Å; T88-T273 HydrophobicContact CG2-CG2 3.97Å; T88-T273 PolarHBondContact N-OG1 3.21Å; T88-T273 PolarHBondContact OG1-N 2.91Å; T88-T273 PolarHBondContact OG1-OG1 3.33Å; F210-T273 HydrophobicContact CD1-CG2 3.88Å; F210-T273 HydrophobicContact CD2-CG2 3.96Å; F210-T273 HydrophobicContact CE1-CG2 3.88Å; F210-T273 HydrophobicContact CE2-CG2 3.94Å; F210-T273 HydrophobicContact CG-CG2 3.92Å; F210-T273 HydrophobicContact CZ-CG2 3.9Å; T273-T275 VanDerWaalsContact C-N 3.32Å; T273-M365 HydrophobicContact CG2-CE 3.49Å; T273-M365 VanDerWaalsContact CG2-CE 3.49Å; T273-M365 HydrophobicContact CG2-SD 3.76Å; T273-F372 HydrophobicContact CG2-CE2 4.39Å; T273-F372 HydrophobicContact CG2-CZ 4.4Å
274G83.8Confident91.8Very high0 Ų026.5 Ų26.50%014%0.144CC..THydrogen-bonded Turntrans-84.7-1.4170.600000113.5I62 N63 Q68 D272I62-G274 VanDerWaalsContact CG2-O 3.24Å; I62-G274 WeakPolarHBondContact CG2-O 3.06Å; N63-G274 PolarHBondContact N-O 3.47Å; Q68-G274 PolarHBondContact NE2-O 2.87Å; D272-G274 PolarHBondContact O-N 3.17Å; D272-G274 WeakPolarHBondContact OD1-CA 3.22Å; D272-G274 PolarHBondContact OD1-N 3.14Å
275T84.3Confident92Very high1 Ų126 Ų261%0.00614%0.141CC..BIsolated β-bridgetrans-119.9131.4-178.3-70.40000109.8N63 D272 T273 V277 L279 I359 G361 D362N63-T275 HydrophobicContact CB-CG2 4.15Å; D272-T275 PolarHBondContact O-N 3.44Å; D272-T275 VanDerWaalsContact O-N 3.09Å; D272-T275 WeakPolarHBondContact OD2-CB 3.3Å; D272-T275 PolarHBondContact OD2-N 3.27Å; D272-T275 PolarHBondContact OD2-OG1 2.88Å; T273-T275 VanDerWaalsContact C-N 3.32Å; T275-V277 HydrophobicContact CG2-CG2 4.3Å; T275-V277 WeakPolarHBondContact CG2-O 3.41Å; T275-L279 HydrophobicContact CG2-CD1 3.88Å; T275-L279 HydrophobicContact CG2-CG 4.07Å; T275-I359 HydrophobicContact CG2-CG2 4.18Å; T275-G361 CarbonylContact O-C 3.55Å; T275-G361 WeakPolarHBondContact O-CA 3.45Å; T275-D362 PolarHBondContact O-N 3.47Å
276S82Confident92.2Very high2 Ų223.3 Ų23.31%0.01413%0.126CC..SBendtrans-84.8-23.3-176.3580000114.8L67 A363L67-S276 VanDerWaalsContact CB-CB 3.47Å; S276-A363 PolarHBondContact O-N 3.32Å
277V87.2Confident92.2Very high4 Ų425.8 Ų25.82%0.02412%0.119CC..SBendtrans-118.9-176.8-171.5-67.40000111T275 L279 P346 E348 G361T275-V277 HydrophobicContact CG2-CG2 4.3Å; T275-V277 WeakPolarHBondContact CG2-O 3.41Å; V277-L279 HydrophobicContact CG2-CD2 3.69Å; V277-L279 HydrophobicContact CG2-CG 4.2Å; V277-P346 WeakPolarHBondContact CB-O 3.28Å; V277-E348 HydrophobicContact CB-CG 4.29Å; V277-E348 HydrophobicContact CG1-CG 4.31Å; V277-E348 HydrophobicContact CG2-CB 4.13Å; V277-E348 HydrophobicContact CG2-CG 4Å; V277-G361 WeakPolarHBondContact O-CA 3.09Å; V277-G361 PolarHBondContact O-N 3.37Å; V277-G361 VanDerWaalsContact O-N 3.11Å
278I93.1Very high92.3Very high0 Ų025.5 Ų25.50%012%0.117CC..EExtended strand (participates in β ladder)trans-99.1118.8169.4-57.4-178.7000108F317 L326 P346 F347 E348 W358 I359 L360 A363I278-F317 HydrophobicContact CD1-CE1 4.19Å; I278-F317 HydrophobicContact CD1-CE2 4.43Å; I278-F317 HydrophobicContact CD1-CZ 3.54Å; I278-L326 HydrophobicContact CD1-CD1 4.25Å; I278-P346 PolarHBondContact N-O 3.4Å; I278-F347 HydrophobicContact CB-CD1 3.82Å; I278-F347 HydrophobicContact CB-CE1 3.99Å; I278-F347 HydrophobicContact CD1-CE1 4.24Å; I278-F347 HydrophobicContact CD1-CZ 4.36Å; I278-F347 HydrophobicContact CG2-CD1 3.63Å; I278-F347 HydrophobicContact CG2-CE1 3.52Å; I278-F347 WeakPolarHBondContact O-CA 3.47Å; I278-E348 PolarHBondContact O-N 3.47Å; I278-W358 HydrophobicContact CG2-CE3 3.95Å; I278-W358 HydrophobicContact CG2-CZ3 4.38Å; I278-I359 CarbonylContact C-O 3.56Å; I278-I359 VanDerWaalsContact CA-O 3.31Å; I278-I359 WeakPolarHBondContact CA-O 3.43Å; I278-L360 HydrophobicContact CG2-CD2 3.91Å; I278-A363 HydrophobicContact CG1-CB 4.17Å
279L93.1Very high92.2Very high3 Ų324.3 Ų24.32%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-99.8140.3178.1-55.4172.7000111N63 T275 V277 E348 D350 L353 W358 I359N63-L279 HydrophobicContact CB-CD1 4.14Å; T275-L279 HydrophobicContact CG2-CD1 3.88Å; T275-L279 HydrophobicContact CG2-CG 4.07Å; V277-L279 HydrophobicContact CG2-CD2 3.69Å; V277-L279 HydrophobicContact CG2-CG 4.2Å; L279-E348 WeakPolarHBondContact CA-O 3.49Å; L279-E348 HydrophobicContact CD2-CB 3.78Å; L279-D350 HydrophobicContact CB-CB 4.43Å; L279-L353 HydrophobicContact CB-CD1 3.76Å; L279-W358 WeakPolarHBondContact O-CA 3.43Å; L279-I359 HydrophobicContact CB-CB 4.02Å; L279-I359 HydrophobicContact CB-CD1 4.36Å; L279-I359 HydrophobicContact CB-CG1 4.44Å; L279-I359 HydrophobicContact CD1-CB 4.47Å; L279-I359 HydrophobicContact CD1-CD1 3.97Å; L279-I359 PolarHBondContact N-O 3.48Å; L279-I359 PolarHBondContact O-N 2.56Å
280G94.6Very high92Very high0 Ų028.8 Ų28.80%014%0.141CC..EExtended strand (participates in β ladder)trans-153.6175.617200000110.7E348 A349 D350G280-E348 PolarHBondContact N-O 3.27Å; G280-A349 WeakPolarHBondContact O-CA 3.48Å; G280-D350 PolarHBondContact O-N 2.64Å
281E94Very high91.8Very high42 Ų4231.2 Ų31.220%0.19615%0.153CC..  trans-60.5145.2176.3-175.2-75.6136.400111.2E283 Q284 V285 L353E281-E283 PolarHBondContact O-N 3.4Å; E281-E283 WeakPolarHBondContact OE1-CB 3.49Å; E281-E283 PolarHBondContact OE1-N 2.82Å; E281-E283 WeakPolarHBondContact OE2-CA 3.32Å; E281-E283 WeakPolarHBondContact OE2-CB 3.47Å; E281-E283 PolarHBondContact OE2-N 3.42Å; E281-Q284 PolarHBondContact O-N 2.85Å; E281-Q284 PolarHBondContact OE2-N 2.91Å; E281-V285 WeakPolarHBondContact O-CG2 3.42Å; E281-V285 PolarHBondContact O-N 2.82Å; E281-L353 WeakPolarHBondContact CB-O 3.38Å
282R92.3Very high91.7Very high102 Ų10231.4 Ų31.439%0.38515%0.153SC..Hα-helixtrans-56.3-47.1-171175.1175.1-81.41462.4114.2R44 V285 N286 A349 D351R44-R282 VanDerWaalsContact NH1-NH2 3.2Å; R282-V285 PolarHBondContact O-N 3.27Å; R282-N286 VanDerWaalsContact O-CB 3.29Å; R282-N286 WeakPolarHBondContact O-CB 3.25Å; R282-N286 PolarHBondContact O-N 3.06Å; R282-N286 PolarHBondContact O-ND2 3.02Å; R282-N286 PolarHBondContact O-OD1 2.92Å; R282-A349 HydrophobicContact CB-CB 3.9Å; R282-A349 HydrophobicContact CG-CB 4.14Å; R282-D351 IonicContact CZ-OD1 3.63Å; R282-D351 IonicContact CZ-OD2 2.7Å; R282-D351 IonicContact NE-OD1 3.59Å; R282-D351 PolarHBondContact NE-OD1 3.03Å; R282-D351 VanDerWaalsContact NE-OD1 3.08Å; R282-D351 IonicContact NH1-OD1 2.69Å; R282-D351 PolarHBondContact NH1-OD1 2.62Å; R282-D351 IonicContact NH1-OD2 2.85Å; R282-D351 PolarHBondContact NH1-OD2 2.96Å; R282-D351 IonicContact NH2-OD1 2.8Å; R282-D351 PolarHBondContact NH2-OD1 3.18Å; R282-D351 IonicContact NH2-OD2 2.9Å; R282-D351 PolarHBondContact NH2-OD2 2.86Å
283E92.5Very high91.6Very high127 Ų12733.6 Ų33.659%0.59318%0.177SC*.Hα-helixtrans-61.6-47-179.7-167.5-172.7159.200111.2E281 N286 R287E281-E283 PolarHBondContact O-N 3.4Å; E281-E283 WeakPolarHBondContact OE1-CB 3.49Å; E281-E283 PolarHBondContact OE1-N 2.82Å; E281-E283 WeakPolarHBondContact OE2-CA 3.32Å; E281-E283 WeakPolarHBondContact OE2-CB 3.47Å; E281-E283 PolarHBondContact OE2-N 3.42Å; E283-N286 PolarHBondContact O-N 3.36Å; E283-R287 WeakPolarHBondContact O-CG 3.42Å; E283-R287 PolarHBondContact O-N 2.74Å
284Q93.8Very high91.4Very high30 Ų3034.6 Ų34.614%0.1418%0.183CC..Hα-helixtrans-60.4-48.7175.9-63.7-62.4-22.800111.3F263 E281 N286 R287 I288 W358F263-Q284 PolarHBondContact O-OE1 2.87Å; E281-Q284 PolarHBondContact O-N 2.85Å; E281-Q284 PolarHBondContact OE2-N 2.91Å; Q284-N286 VanDerWaalsContact C-N 3.34Å; Q284-N286 PolarHBondContact O-N 2.98Å; Q284-R287 WeakPolarHBondContact O-CB 3.49Å; Q284-R287 PolarHBondContact O-N 3.47Å; Q284-I288 WeakPolarHBondContact O-CG1 3.43Å; Q284-I288 PolarHBondContact O-N 2.95Å; Q284-W358 HydrophobicContact CB-CH2 4.06Å; Q284-W358 HydrophobicContact CB-CZ2 4.04Å
285V94.3Very high90.7Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-62.8-40.2-179.9169.70000111.8E281 R282 R287 I288 N289 F347 A349 W358E281-V285 WeakPolarHBondContact O-CG2 3.42Å; E281-V285 PolarHBondContact O-N 2.82Å; R282-V285 PolarHBondContact O-N 3.27Å; V285-R287 VanDerWaalsContact C-N 3.34Å; V285-R287 PolarHBondContact O-N 3.08Å; V285-I288 PolarHBondContact O-N 3.37Å; V285-N289 VanDerWaalsContact CG1-ND2 3.29Å; V285-N289 WeakPolarHBondContact CG1-ND2 3.34Å; V285-N289 WeakPolarHBondContact O-CB 3.11Å; V285-N289 PolarHBondContact O-N 2.78Å; V285-N289 PolarHBondContact O-ND2 3.41Å; V285-F347 HydrophobicContact CG1-CB 4.07Å; V285-A349 HydrophobicContact CB-CB 4.17Å; V285-A349 HydrophobicContact CG1-CB 4.15Å; V285-W358 HydrophobicContact CG2-CH2 4.46Å; V285-W358 HydrophobicContact CG2-CZ3 4.26Å
286N93.1Very high89.9Confident70 Ų7044.4 Ų44.437%0.37423%0.232SC..Hα-helixtrans-62.9-40.7176.3-74.4-11.9000111.8R282 E283 Q284 N289 S290R282-N286 VanDerWaalsContact O-CB 3.29Å; R282-N286 WeakPolarHBondContact O-CB 3.25Å; R282-N286 PolarHBondContact O-N 3.06Å; R282-N286 PolarHBondContact O-ND2 3.02Å; R282-N286 PolarHBondContact O-OD1 2.92Å; E283-N286 PolarHBondContact O-N 3.36Å; Q284-N286 VanDerWaalsContact C-N 3.34Å; Q284-N286 PolarHBondContact O-N 2.98Å; N286-N289 PolarHBondContact O-N 3.13Å; N286-S290 WeakPolarHBondContact O-CB 3.16Å; N286-S290 PolarHBondContact O-N 3.5Å; N286-S290 PolarHBondContact O-OG 3Å
287R94.4Very high89Confident106 Ų10650.5 Ų50.540%0.426%0.26SS..Hα-helixtrans-64-43.2174.3-70.9172.665.5-147.9-1.9111.5F263 E283 Q284 V285 S290 L291F263-R287 HydrophobicContact CE1-CB 3.74Å; E283-R287 WeakPolarHBondContact O-CG 3.42Å; E283-R287 PolarHBondContact O-N 2.74Å; Q284-R287 WeakPolarHBondContact O-CB 3.49Å; Q284-R287 PolarHBondContact O-N 3.47Å; V285-R287 VanDerWaalsContact C-N 3.34Å; V285-R287 PolarHBondContact O-N 3.08Å; R287-S290 WeakPolarHBondContact O-CB 3.24Å; R287-S290 PolarHBondContact O-N 2.91Å; R287-L291 PolarHBondContact O-N 2.79Å; R287-L291 VanDerWaalsContact O-N 3.1Å
288I95.6Very high87.6Confident0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-60.7-51.7175.4-66.7176.2000110.7L256 I258 F263 Q284 V285 S290 L291 L292 F347 W358L256-I288 HydrophobicContact CD2-CD1 4.15Å; I258-I288 HydrophobicContact CD1-CB 4.28Å; I258-I288 HydrophobicContact CD1-CD1 3.95Å; I258-I288 HydrophobicContact CD1-CG1 3.88Å; I258-I288 HydrophobicContact CD1-CG2 3.5Å; F263-I288 HydrophobicContact CB-CD1 4.4Å; F263-I288 HydrophobicContact CD1-CD1 3.87Å; F263-I288 HydrophobicContact CD1-CG1 3.33Å; F263-I288 HydrophobicContact CD2-CD1 4.46Å; F263-I288 HydrophobicContact CD2-CG1 4.07Å; F263-I288 HydrophobicContact CE1-CB 4.23Å; F263-I288 HydrophobicContact CE1-CD1 4.28Å; F263-I288 HydrophobicContact CE1-CG1 3.24Å; F263-I288 HydrophobicContact CE2-CG1 4.01Å; F263-I288 HydrophobicContact CG-CD1 3.97Å; F263-I288 HydrophobicContact CG-CG1 3.75Å; F263-I288 HydrophobicContact CZ-CB 4.41Å; F263-I288 HydrophobicContact CZ-CG1 3.6Å; Q284-I288 WeakPolarHBondContact O-CG1 3.43Å; Q284-I288 PolarHBondContact O-N 2.95Å; V285-I288 PolarHBondContact O-N 3.37Å; I288-S290 PolarHBondContact O-N 3.06Å; I288-L291 WeakPolarHBondContact O-CA 3.43Å; I288-L291 WeakPolarHBondContact O-CB 3.44Å; I288-L291 PolarHBondContact O-N 2.99Å; I288-L292 HydrophobicContact CG2-CD1 3.92Å; I288-L292 HydrophobicContact CG2-CG 4.23Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 2.82Å; I288-F347 HydrophobicContact CD1-CD1 4Å; I288-F347 HydrophobicContact CD1-CE1 3.83Å; I288-F347 HydrophobicContact CD1-CE2 4.47Å; I288-F347 HydrophobicContact CD1-CG 4.39Å; I288-F347 HydrophobicContact CD1-CZ 4.08Å; I288-F347 HydrophobicContact CG2-CD2 3.42Å; I288-F347 VanDerWaalsContact CG2-CD2 3.42Å; I288-F347 HydrophobicContact CG2-CE2 3.58Å; I288-F347 HydrophobicContact CG2-CG 3.95Å; I288-F347 HydrophobicContact CG2-CZ 4.24Å; I288-W358 HydrophobicContact CD1-CH2 3.51Å; I288-W358 HydrophobicContact CD1-CZ2 4.44Å; I288-W358 HydrophobicContact CD1-CZ3 4.08Å
289N94.3Very high86Confident5 Ų555.4 Ų55.43%0.02729%0.286CS..Hα-helixtrans-60.7-34.4-179.1-77.1-33.1000112.3V285 N286 L292 G293 V294 N302 S345V285-N289 VanDerWaalsContact CG1-ND2 3.29Å; V285-N289 WeakPolarHBondContact CG1-ND2 3.34Å; V285-N289 WeakPolarHBondContact O-CB 3.11Å; V285-N289 PolarHBondContact O-N 2.78Å; V285-N289 PolarHBondContact O-ND2 3.41Å; N286-N289 PolarHBondContact O-N 3.13Å; N289-L292 PolarHBondContact O-N 3.44Å; N289-G293 PolarHBondContact O-N 2.9Å; N289-V294 HydrophobicContact CB-CB 4.05Å; N289-V294 HydrophobicContact CB-CG2 3.72Å; N289-V294 WeakPolarHBondContact O-CB 3.45Å; N289-V294 WeakPolarHBondContact O-CG2 3.32Å; N289-V294 PolarHBondContact O-N 2.73Å; N289-N302 VanDerWaalsContact ND2-CG 3.25Å; N289-N302 PolarHBondContact ND2-ND2 3.2Å; N289-S345 WeakPolarHBondContact OD1-CB 3.07Å; N289-S345 PolarHBondContact OD1-OG 3.44Å
290S92.7Very high84.4Confident94 Ų9459.3 Ų59.366%0.65730%0.304SS*.Hα-helixtrans-63.6-42.6171.7-58.10000111.9N286 R287 I288 L292 G293N286-S290 WeakPolarHBondContact O-CB 3.16Å; N286-S290 PolarHBondContact O-N 3.5Å; N286-S290 PolarHBondContact O-OG 3Å; R287-S290 WeakPolarHBondContact O-CB 3.24Å; R287-S290 PolarHBondContact O-N 2.91Å; I288-S290 PolarHBondContact O-N 3.06Å; S290-L292 VanDerWaalsContact C-N 3.32Å; S290-L292 PolarHBondContact O-N 2.89Å; S290-G293 PolarHBondContact O-N 2.86Å
291L93Very high83.2Confident60 Ų6061.1 Ų61.131%0.31431%0.311SS..Hα-helixtrans-65.8-32.7175-71.5-172.9000113.2V261 F263 R287 I288 G293V261-L291 HydrophobicContact CB-CD1 4.21Å; V261-L291 HydrophobicContact CG2-CD1 4.14Å; F263-L291 HydrophobicContact CE2-CD1 3.74Å; F263-L291 HydrophobicContact CZ-CD1 3.45Å; F263-L291 VanDerWaalsContact CZ-CD1 3.45Å; F263-L291 HydrophobicContact CZ-CG 4.33Å; R287-L291 PolarHBondContact O-N 2.79Å; R287-L291 VanDerWaalsContact O-N 3.1Å; I288-L291 WeakPolarHBondContact O-CA 3.43Å; I288-L291 WeakPolarHBondContact O-CB 3.44Å; I288-L291 PolarHBondContact O-N 2.99Å; L291-G293 PolarHBondContact O-N 2.83Å
292L94Very high82.6Confident5 Ų559.7 Ų59.73%0.02631%0.305CS..THydrogen-bonded Turntrans-78.1-5.9176.6-62.5179.8000112.9I288 N289 S290 L304 L312 P313 F347I288-L292 HydrophobicContact CG2-CD1 3.92Å; I288-L292 HydrophobicContact CG2-CG 4.23Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 2.82Å; N289-L292 PolarHBondContact O-N 3.44Å; S290-L292 VanDerWaalsContact C-N 3.32Å; S290-L292 PolarHBondContact O-N 2.89Å; L292-L304 HydrophobicContact CB-CD2 3.96Å; L292-L304 VanDerWaalsContact O-CD2 3.29Å; L292-L304 WeakPolarHBondContact O-CD2 3.31Å; L292-L312 WeakPolarHBondContact O-CD2 3.29Å; L292-P313 HydrophobicContact CD2-CG 3.84Å; L292-F347 HydrophobicContact CD1-CD2 4.15Å; L292-F347 HydrophobicContact CD1-CE2 4.47Å
293G91.3Very high82.3Confident48 Ų4855 Ų5550%0.49529%0.288SS..THydrogen-bonded Turntrans71.633.2-179.800000113.4N289 S290 L291 S295N289-G293 PolarHBondContact O-N 2.9Å; S290-G293 PolarHBondContact O-N 2.86Å; L291-G293 PolarHBondContact O-N 2.83Å; G293-S295 PolarHBondContact O-N 3.31Å
294V86.7Confident82.1Confident28 Ų2849.2 Ų49.217%0.1726%0.261CS..  trans-57.7121.9170.9171.10000108.6N289 N302 V303 L304N289-V294 HydrophobicContact CB-CB 4.05Å; N289-V294 HydrophobicContact CB-CG2 3.72Å; N289-V294 WeakPolarHBondContact O-CB 3.45Å; N289-V294 WeakPolarHBondContact O-CG2 3.32Å; N289-V294 PolarHBondContact O-N 2.73Å; V294-N302 HydrophobicContact CG1-CB 3.84Å; V294-N302 HydrophobicContact CG2-CB 3.95Å; V294-V303 WeakPolarHBondContact CA-O 3.41Å; V294-L304 HydrophobicContact CB-CD2 4.43Å; V294-L304 HydrophobicContact CG2-CD2 3.51Å; V294-L304 HydrophobicContact CG2-CG 4.23Å
295S68.9Low81.9Confident72 Ų7250.9 Ų50.950%0.50327%0.271SS..  trans-92.8-33.2-164.850.30000112.7G293 V303G293-S295 PolarHBondContact O-N 3.31Å; S295-V303 PolarHBondContact N-O 3.42Å; S295-V303 VanDerWaalsContact N-O 3.09Å; S295-V303 PolarHBondContact OG-O 3.1Å
296Y66.4Low81.7Confident135 Ų13553 Ų5353%0.52929%0.285SS..EExtended strand (participates in β ladder)trans-163.9155.2178.950.2-81.8000109.7V298 V303Y296-V298 HydrophobicContact CD2-CB 4.48Å; Y296-V298 HydrophobicContact CD2-CG2 3.14Å; Y296-V298 HydrophobicContact CE2-CB 4.46Å; Y296-V298 HydrophobicContact CE2-CG2 3.2Å; Y296-V298 HydrophobicContact CG-CG2 4.46Å; Y296-V303 HydrophobicContact CE1-CG1 4.47Å; Y296-V303 HydrophobicContact CE2-CB 4.11Å; Y296-V303 HydrophobicContact CE2-CG1 4.12Å; Y296-V303 HydrophobicContact CE2-CG2 4.25Å; Y296-V303 PolarHBondContact O-N 2.79Å
297H64.1Low81.6Confident130 Ų13054 Ų5460%0.60230%0.298SS*.EExtended strand (participates in β ladder)trans-91.1118.2172.4-61.4-80.2000108.7R301 N302H297-R301 WeakPolarHBondContact CA-O 2.98Å; H297-N302 PolarHBondContact CE1-OD1 3.38Å; H297-N302 PolarHBondContact ND1-OD1 2.89Å
298V57.3Low81.4Confident42 Ų4256.1 Ų56.126%0.25531%0.306SS..EExtended strand (participates in β ladder)trans-121.6127.2169.5-176.40000107.8Y296 E300 R301 V303Y296-V298 HydrophobicContact CD2-CB 4.48Å; Y296-V298 HydrophobicContact CD2-CG2 3.14Å; Y296-V298 HydrophobicContact CE2-CB 4.46Å; Y296-V298 HydrophobicContact CE2-CG2 3.2Å; Y296-V298 HydrophobicContact CG-CG2 4.46Å; V298-E300 VanDerWaalsContact C-N 3.35Å; V298-E300 PolarHBondContact O-N 2.84Å; V298-R301 PolarHBondContact N-O 3.34Å; V298-R301 PolarHBondContact O-N 3.15Å; V298-V303 HydrophobicContact CB-CG2 4.06Å; V298-V303 HydrophobicContact CG2-CG2 4.22Å
299I58.9Low81.2Confident65 Ų6556.9 Ų56.933%0.33331%0.309SS..THydrogen-bonded Turntrans51.256.3170.6-52.4154.2000110.3S37 Y38 R301S37-I299 WeakPolarHBondContact O-CG2 3.49Å; Y38-I299 HydrophobicContact CD1-CD1 4.29Å; Y38-I299 HydrophobicContact CD2-CD1 3.61Å; Y38-I299 HydrophobicContact CD2-CG1 4.48Å; Y38-I299 HydrophobicContact CE1-CD1 3.94Å; Y38-I299 HydrophobicContact CE1-CG1 4.42Å; Y38-I299 HydrophobicContact CE2-CD1 3.2Å; Y38-I299 HydrophobicContact CE2-CG1 4.36Å; Y38-I299 HydrophobicContact CG-CD1 4.14Å; I299-R301 PolarHBondContact O-N 3.25Å
300E61.2Low81.1Confident84 Ų8463.6 Ų63.639%0.39335%0.346SS..THydrogen-bonded Turntrans54.521.2176.5-54.3-177.5176.700115S42 K65 V298S42-E300 VanDerWaalsContact CB-OE1 3.26Å; S42-E300 WeakPolarHBondContact CB-OE1 3.36Å; S42-E300 WeakPolarHBondContact CB-OE2 3.04Å; S42-E300 PolarHBondContact N-OE1 3.25Å; K65-E300 PolarHBondContact NZ-O 3.11Å; V298-E300 VanDerWaalsContact C-N 3.35Å; V298-E300 PolarHBondContact O-N 2.84Å
301R68.2Low81.1Confident38 Ų3866.4 Ų66.414%0.14335%0.35CS..EExtended strand (participates in β ladder)trans-121.3145.9175.5-68.4-168-177.5-146.40.4110.9K65 H297 V298 I299 V303K65-R301 PolarHBondContact O-NH2 3.21Å; H297-R301 WeakPolarHBondContact CA-O 2.98Å; V298-R301 PolarHBondContact N-O 3.34Å; V298-R301 PolarHBondContact O-N 3.15Å; I299-R301 PolarHBondContact O-N 3.25Å; R301-V303 PolarHBondContact O-N 2.83Å
302N81.6Confident81.2Confident13 Ų1364.7 Ų64.77%0.0734%0.341CS..EExtended strand (participates in β ladder)trans-90.494.2-180-66-44.6000108.5N289 V294 H297 S344 S345 F347N289-N302 VanDerWaalsContact ND2-CG 3.25Å; N289-N302 PolarHBondContact ND2-ND2 3.2Å; V294-N302 HydrophobicContact CG1-CB 3.84Å; V294-N302 HydrophobicContact CG2-CB 3.95Å; H297-N302 PolarHBondContact CE1-OD1 3.38Å; H297-N302 PolarHBondContact ND1-OD1 2.89Å; N302-S344 CarbonylContact O-C 3.54Å; N302-S344 WeakPolarHBondContact O-CA 2.8Å; N302-S344 WeakPolarHBondContact O-CB 3.16Å; N302-S345 PolarHBondContact O-N 3.07Å; N302-F347 PolarHBondContact ND2-O 3.23Å
303V85.3Confident81.3Confident3 Ų365.4 Ų65.42%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-79.5130.1-170-176.40000111.7V294 S295 Y296 V298 R301 M342 C343V294-V303 WeakPolarHBondContact CA-O 3.41Å; S295-V303 PolarHBondContact N-O 3.42Å; S295-V303 VanDerWaalsContact N-O 3.09Å; S295-V303 PolarHBondContact OG-O 3.1Å; Y296-V303 HydrophobicContact CE1-CG1 4.47Å; Y296-V303 HydrophobicContact CE2-CB 4.11Å; Y296-V303 HydrophobicContact CE2-CG1 4.12Å; Y296-V303 HydrophobicContact CE2-CG2 4.25Å; Y296-V303 PolarHBondContact O-N 2.79Å; V298-V303 HydrophobicContact CB-CG2 4.06Å; V298-V303 HydrophobicContact CG2-CG2 4.22Å; R301-V303 PolarHBondContact O-N 2.83Å; V303-M342 HydrophobicContact CG1-CG 4.15Å; V303-M342 HydrophobicContact CG2-CG 4.24Å; V303-M342 HydrophobicContact CG2-SD 3.97Å; V303-C343 WeakPolarHBondContact CA-O 3.39Å
304L89.9Confident81.6Confident5 Ų565.6 Ų65.63%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-106.1151.5176.4-65.1172.2000110.3L292 V294 C306 L312 V332 C343L292-L304 HydrophobicContact CB-CD2 3.96Å; L292-L304 VanDerWaalsContact O-CD2 3.29Å; L292-L304 WeakPolarHBondContact O-CD2 3.31Å; V294-L304 HydrophobicContact CB-CD2 4.43Å; V294-L304 HydrophobicContact CG2-CD2 3.51Å; V294-L304 HydrophobicContact CG2-CG 4.23Å; L304-C306 PolarHBondContact O-N 3.41Å; L304-L312 HydrophobicContact CD1-CD1 4Å; L304-V332 HydrophobicContact CD1-CG2 4.05Å; L304-C343 HydrophobicContact CB-CB 4.34Å; L304-C343 PolarHBondContact N-O 3.24Å
305D88.9Confident82.1Confident66 Ų6664.2 Ų64.235%0.35333%0.33SS..  trans-71.6109.6170.6-177.5-7.8000109.9S307 R308D305-S307 PolarHBondContact O-N 3.17Å; D305-S307 VanDerWaalsContact O-N 3.1Å; D305-S307 WeakPolarHBondContact OD1-CB 3.39Å; D305-S307 PolarHBondContact OD1-N 1.98Å; D305-S307 PolarHBondContact OD1-OG 3.41Å; D305-S307 PolarHBondContact OD2-OG 2.83Å; D305-S307 VanDerWaalsContact OD2-OG 3.09Å; D305-R308 HydrophobicContact CB-CB 4.37Å; D305-R308 HydrophobicContact CB-CG 4.21Å; D305-R308 PolarHBondContact O-N 2.86Å; D305-R308 WeakPolarHBondContact OD2-CD 2.75Å; D305-R308 WeakPolarHBondContact OD2-CG 2.95Å; D305-R308 IonicContact OD2-CZ 3.03Å; D305-R308 IonicContact OD2-NE 2.64Å; D305-R308 PolarHBondContact OD2-NE 3.47Å; D305-R308 VanDerWaalsContact OD2-NE 3.07Å
306C89.4Confident83.4Confident44 Ų4463 Ų6330%0.29732%0.317SS..G310 helixtrans-57.1-24.7179.1-69.10000113.6L304 R308 I309 T341 C343L304-C306 PolarHBondContact O-N 3.41Å; C306-R308 VanDerWaalsContact C-N 3.26Å; C306-R308 PolarHBondContact O-N 3.47Å; C306-I309 WeakPolarHBondContact O-CD1 3.26Å; C306-I309 WeakPolarHBondContact O-CG1 3.39Å; C306-T341 PolarHBondContact SG-O 3.03Å; C306-C343 WeakPolarHBondContact CA-SG 3.04Å; C306-C343 HydrophobicContact CB-CB 4.09Å; C306-C343 WeakPolarHBondContact CB-SG 3.37Å; C306-C343 WeakPolarHBondContact SG-CB 3.47Å; C306-C343 PolarHBondContact SG-N 3.38Å; C306-C343 CovalentContact SG-SG 2.03Å; C306-C343 PolarHBondContact SG-SG 2.9Å
307S91Very high84.9Confident92 Ų9256.6 Ų56.664%0.64329%0.292SS*.G310 helixtrans-76.5-12.7179.171.60000113.6D305D305-S307 PolarHBondContact O-N 3.17Å; D305-S307 VanDerWaalsContact O-N 3.1Å; D305-S307 WeakPolarHBondContact OD1-CB 3.39Å; D305-S307 PolarHBondContact OD1-N 1.98Å; D305-S307 PolarHBondContact OD1-OG 3.41Å; D305-S307 PolarHBondContact OD2-OG 2.83Å; D305-S307 VanDerWaalsContact OD2-OG 3.09Å
308R90.7Very high86.4Confident150 Ų15051.9 Ų51.957%0.56627%0.27SS*.G310 helixtrans-112.313.6-174.6-60.8-177.9-174.2-161.2-6.1113.6D305 C306 D310 M311 L312D305-R308 HydrophobicContact CB-CB 4.37Å; D305-R308 HydrophobicContact CB-CG 4.21Å; D305-R308 PolarHBondContact O-N 2.86Å; D305-R308 WeakPolarHBondContact OD2-CD 2.75Å; D305-R308 WeakPolarHBondContact OD2-CG 2.95Å; D305-R308 IonicContact OD2-CZ 3.03Å; D305-R308 IonicContact OD2-NE 2.64Å; D305-R308 PolarHBondContact OD2-NE 3.47Å; D305-R308 VanDerWaalsContact OD2-NE 3.07Å; C306-R308 VanDerWaalsContact C-N 3.26Å; C306-R308 PolarHBondContact O-N 3.47Å; R308-D310 VanDerWaalsContact C-N 3.26Å; R308-D310 PolarHBondContact O-N 3.37Å; R308-M311 HydrophobicContact CB-SD 4.45Å; R308-M311 HydrophobicContact CG-SD 4.37Å; R308-M311 WeakPolarHBondContact O-CB 3.49Å; R308-M311 PolarHBondContact O-N 2.96Å; R308-L312 PolarHBondContact O-N 3.47Å
309I91.6Very high88.3Confident15 Ų1549.9 Ų49.98%0.07726%0.258CS..G310 helixtrans-53.2-46.9-178.2-66.9173.2000110.7C306 M311 L312 P328 V332C306-I309 WeakPolarHBondContact O-CD1 3.26Å; C306-I309 WeakPolarHBondContact O-CG1 3.39Å; I309-M311 PolarHBondContact O-N 2.84Å; I309-M311 VanDerWaalsContact O-N 3.09Å; I309-L312 WeakPolarHBondContact O-CB 3.17Å; I309-L312 PolarHBondContact O-N 2.83Å; I309-P328 HydrophobicContact CG2-CB 3.83Å; I309-P328 WeakPolarHBondContact O-CB 3.39Å; I309-V332 HydrophobicContact CD1-CG1 3.99Å; I309-V332 HydrophobicContact CG1-CG1 4.21Å; I309-V332 HydrophobicContact CG1-CG2 4.34Å; I309-V332 HydrophobicContact CG2-CG2 4.2Å
310D92Very high89.7Confident147 Ų14751.5 Ų51.579%0.78626%0.264SS*.G310 helixtrans-66.4-14.1-177.6-58.1-29.5000113.7R308R308-D310 VanDerWaalsContact C-N 3.26Å; R308-D310 PolarHBondContact O-N 3.37Å
311M92.8Very high90.7Very high153 Ų15357.4 Ų57.475%0.75429%0.289SS*.G310 helixtrans-93.7-9.5177.3-55.8-178.1-169.900113.1R308 I309R308-M311 HydrophobicContact CB-SD 4.45Å; R308-M311 HydrophobicContact CG-SD 4.37Å; R308-M311 WeakPolarHBondContact O-CB 3.49Å; R308-M311 PolarHBondContact O-N 2.96Å; I309-M311 PolarHBondContact O-N 2.84Å; I309-M311 VanDerWaalsContact O-N 3.09Å
312L95.2Very high91.9Very high24 Ų2459.7 Ų59.713%0.12630%0.297CS..SBendtrans-71.7149.8-179.4-58.3171.8000110.5L292 L304 R308 I309 P328 Y331 V332L292-L312 WeakPolarHBondContact O-CD2 3.29Å; L304-L312 HydrophobicContact CD1-CD1 4Å; R308-L312 PolarHBondContact O-N 3.47Å; I309-L312 WeakPolarHBondContact O-CB 3.17Å; I309-L312 PolarHBondContact O-N 2.83Å; L312-P328 HydrophobicContact CB-CB 4Å; L312-P328 HydrophobicContact CB-CG 3.85Å; L312-P328 WeakPolarHBondContact O-CG 3.16Å; L312-Y331 WeakPolarHBondContact CB-OH 3.33Å; L312-Y331 HydrophobicContact CD1-CE2 4.11Å; L312-V332 HydrophobicContact CD1-CG2 3.59Å
313P96.1Very high92.6Very high19 Ų1964.2 Ų64.212%0.12332%0.316CS..PPolyproline II helixtrans-73.2155.5-179.430.3-35.6000111.9I258 K259 L292 Y331I258-P313 HydrophobicContact CG2-CB 4.2Å; I258-P313 HydrophobicContact CG2-CG 3.64Å; K259-P313 HydrophobicContact CB-CB 4.06Å; K259-P313 HydrophobicContact CB-CG 4.41Å; L292-P313 HydrophobicContact CD2-CG 3.84Å; P313-Y331 WeakPolarHBondContact O-CE1 3.42Å; P313-Y331 PolarHBondContact O-OH 2.97Å
314P96.5Very high93.1Very high52 Ų5264 Ų6434%0.33832%0.315SS..PPolyproline II helixtrans-64.5150.7163.229.4-34.1000110.7I325 L326 L327P314-I325 HydrophobicContact CB-CG2 3.78Å; P314-L326 WeakPolarHBondContact CA-O 3.37Å; P314-L327 HydrophobicContact CB-CD2 4.15Å
315I97.1Very high93.4Very high0 Ų066.4 Ų66.40%033%0.327CS..EExtended strand (participates in β ladder)trans-107.7123.9171.4-55.6161.5000107.4L256 I258 F317 I325 L326 Y331 P346 F347L256-I315 HydrophobicContact CD1-CG2 3.7Å; I258-I315 HydrophobicContact CD1-CG1 4.13Å; I258-I315 HydrophobicContact CD1-CG2 4.16Å; I258-I315 HydrophobicContact CG1-CB 4.38Å; I258-I315 HydrophobicContact CG1-CG1 4.19Å; I258-I315 HydrophobicContact CG1-CG2 3.99Å; I315-F317 HydrophobicContact CB-CE2 4.17Å; I315-F317 HydrophobicContact CG2-CD2 4.16Å; I315-F317 HydrophobicContact CG2-CE1 4.44Å; I315-F317 HydrophobicContact CG2-CE2 3.37Å; I315-F317 HydrophobicContact CG2-CZ 3.52Å; I315-I325 WeakPolarHBondContact O-CA 3.22Å; I315-L326 HydrophobicContact CB-CB 4.31Å; I315-L326 PolarHBondContact N-O 2.72Å; I315-L326 PolarHBondContact O-N 3.24Å; I315-Y331 HydrophobicContact CD1-CD1 3.45Å; I315-Y331 VanDerWaalsContact CD1-CD1 3.45Å; I315-Y331 HydrophobicContact CD1-CD2 4.1Å; I315-Y331 HydrophobicContact CD1-CE1 3.62Å; I315-Y331 HydrophobicContact CD1-CE2 4.28Å; I315-Y331 HydrophobicContact CD1-CG 3.68Å; I315-Y331 HydrophobicContact CG1-CD1 4.05Å; I315-Y331 HydrophobicContact CG1-CE1 3.83Å; I315-P346 HydrophobicContact CD1-CG 4.15Å; I315-F347 HydrophobicContact CD1-CE2 3.48Å; I315-F347 VanDerWaalsContact CD1-CE2 3.48Å; I315-F347 HydrophobicContact CD1-CZ 3.96Å; I315-F347 HydrophobicContact CG1-CE2 4.24Å; I315-F347 HydrophobicContact CG2-CZ 4.03Å
316E97.1Very high93.7Very high47 Ų4763.2 Ų63.222%0.2231%0.311CS..EExtended strand (participates in β ladder)trans-109.9118.1-179.1-48.5178.9-166.600110.2M257 K323 I325M257-E316 HydrophobicContact CB-CB 4.19Å; M257-E316 PolarHBondContact N-O 3.39Å; M257-E316 PolarHBondContact O-N 3.4Å; E316-K323 IonicContact OE2-NZ 3.77Å; E316-K323 PolarHBondContact OE2-NZ 3.02Å; E316-I325 HydrophobicContact CG-CG1 4.28Å
317F97.4Very high93.9Very high0 Ų064.1 Ų64.10%031%0.312CS..EExtended strand (participates in β ladder)trans-98.5121.8169.2-56.6-95.8000108.1M253 L256 I278 I315 F319 Y324 L326 L360 F364M253-F317 HydrophobicContact CE-CD1 4.45Å; M253-F317 HydrophobicContact SD-CB 4.14Å; M253-F317 HydrophobicContact SD-CD1 3.7Å; M253-F317 HydrophobicContact SD-CG 4.42Å; L256-F317 HydrophobicContact CD1-CD1 3.78Å; L256-F317 HydrophobicContact CD1-CE1 3.57Å; L256-F317 HydrophobicContact CD1-CG 4.33Å; L256-F317 HydrophobicContact CD1-CZ 3.96Å; I278-F317 HydrophobicContact CD1-CE1 4.19Å; I278-F317 HydrophobicContact CD1-CE2 4.43Å; I278-F317 HydrophobicContact CD1-CZ 3.54Å; I315-F317 HydrophobicContact CB-CE2 4.17Å; I315-F317 HydrophobicContact CG2-CD2 4.16Å; I315-F317 HydrophobicContact CG2-CE1 4.44Å; I315-F317 HydrophobicContact CG2-CE2 3.37Å; I315-F317 HydrophobicContact CG2-CZ 3.52Å; F317-F319 HydrophobicContact CB-CD2 4.43Å; F317-F319 HydrophobicContact CB-CE2 3.73Å; F317-F319 HydrophobicContact CB-CZ 4.39Å; F317-Y324 PolarHBondContact N-O 2.88Å; F317-Y324 PolarHBondContact O-N 3.14Å; F317-L326 HydrophobicContact CD2-CG 4.47Å; F317-L326 HydrophobicContact CE2-CD1 3.6Å; F317-L326 HydrophobicContact CE2-CG 3.89Å; F317-L326 HydrophobicContact CZ-CD1 4.21Å; F317-L360 HydrophobicContact CD1-CD1 4.37Å; F317-L360 HydrophobicContact CD1-CD2 4.1Å; F317-L360 HydrophobicContact CE1-CD2 3.68Å; F317-F364 HydrophobicContact CB-CE2 4.08Å; F317-F364 HydrophobicContact CD1-CD2 4.35Å; F317-F364 HydrophobicContact CD1-CE2 4.27Å; F317-F364 AromaticContact CD2-CD2 3.94Å; F317-F364 HydrophobicContact CD2-CD2 3.94Å; F317-F364 AromaticContact CD2-CE2 3.86Å; F317-F364 HydrophobicContact CD2-CE2 3.86Å; F317-F364 HydrophobicContact CE1-CD2 4.44Å; F317-F364 HydrophobicContact CE2-CD2 4.05Å; F317-F364 HydrophobicContact CE2-CE2 4.43Å; F317-F364 HydrophobicContact CG-CD2 4.13Å; F317-F364 AromaticContact CG-CE2 3.8Å; F317-F364 HydrophobicContact CG-CE2 3.8Å; F317-F364 HydrophobicContact CZ-CD2 4.32Å
318I96.8Very high94Very high31 Ų3160.2 Ų60.216%0.15929%0.285CS..EExtended strand (participates in β ladder)trans-109.3115.5-176.2-49.4-172.9000108.7M253 S254 S255 M257 R322 K323M253-I318 WeakPolarHBondContact CG-O 3.47Å; S254-I318 WeakPolarHBondContact CB-O 3.4Å; S254-I318 PolarHBondContact N-O 3.02Å; S255-I318 PolarHBondContact N-O 2.8Å; S255-I318 PolarHBondContact O-N 2.58Å; M257-I318 HydrophobicContact CG-CD1 4.16Å; I318-R322 WeakPolarHBondContact CA-O 3.4Å; I318-K323 HydrophobicContact CD1-CD 4.48Å; I318-K323 HydrophobicContact CD1-CG 4.32Å; I318-K323 HydrophobicContact CG1-CG 4.16Å
319F95.6Very high93.9Very high0 Ų057 Ų570%028%0.276CS..EExtended strand (participates in β ladder)trans-116131.8173.6-60.6-85.5000108.5I241 V251 G252 M253 A269 F317 K321 R322 Y324 L360 F364 L381I241-F319 HydrophobicContact CD1-CB 3.49Å; I241-F319 VanDerWaalsContact CD1-CB 3.49Å; I241-F319 HydrophobicContact CD1-CD1 3.8Å; I241-F319 HydrophobicContact CD1-CD2 4.34Å; I241-F319 HydrophobicContact CD1-CG 3.63Å; I241-F319 HydrophobicContact CG1-CB 4.3Å; V251-F319 HydrophobicContact CG2-CD1 4.11Å; V251-F319 HydrophobicContact CG2-CE1 3.73Å; G252-F319 WeakPolarHBondContact O-CD1 3.34Å; M253-F319 HydrophobicContact CB-CD1 4.04Å; M253-F319 HydrophobicContact CB-CE1 3.69Å; M253-F319 HydrophobicContact CB-CZ 4.4Å; M253-F319 HydrophobicContact CG-CD1 4.27Å; M253-F319 HydrophobicContact CG-CE1 3.92Å; M253-F319 HydrophobicContact CG-CZ 4.2Å; M253-F319 HydrophobicContact SD-CE1 4.16Å; M253-F319 HydrophobicContact SD-CZ 3.9Å; A269-F319 HydrophobicContact CB-CE1 4.11Å; A269-F319 HydrophobicContact CB-CZ 4.4Å; F317-F319 HydrophobicContact CB-CD2 4.43Å; F317-F319 HydrophobicContact CB-CE2 3.73Å; F317-F319 HydrophobicContact CB-CZ 4.39Å; F319-K321 PolarHBondContact O-N 3.14Å; F319-R322 PolarHBondContact N-O 3.07Å; F319-R322 VanDerWaalsContact N-O 3.07Å; F319-R322 PolarHBondContact O-N 2.84Å; F319-R322 VanDerWaalsContact O-O 3.13Å; F319-Y324 AromaticContact CD2-CD2 3.64Å; F319-Y324 HydrophobicContact CD2-CD2 3.64Å; F319-Y324 AromaticContact CD2-CE2 3.97Å; F319-Y324 HydrophobicContact CD2-CE2 3.97Å; F319-Y324 HydrophobicContact CE2-CD2 4.26Å; F319-L360 HydrophobicContact CZ-CD1 3.79Å; F319-F364 HydrophobicContact CE2-CE2 4.22Å; F319-F364 AromaticContact CE2-CZ 3.95Å; F319-F364 HydrophobicContact CE2-CZ 3.95Å; F319-F364 HydrophobicContact CZ-CZ 4.36Å; F319-L381 HydrophobicContact CD2-CD1 4.25Å; F319-L381 HydrophobicContact CE2-CD1 4.16Å
320Q89.2Confident93.7Very high98 Ų9857.5 Ų57.546%0.45828%0.278SS..THydrogen-bonded Turntrans45.9-99.7-177.9-58.7-177.65.800112.9
321K82.3Confident93.5Very high209 Ų20950.6 Ų50.691%0.90924%0.241SC*.THydrogen-bonded Turntrans-115.6-3-178.9-63.7-176.8-179.11790113.5F319F319-K321 PolarHBondContact O-N 3.14Å
322R94.3Very high93.3Very high85 Ų8543.8 Ų43.832%0.32121%0.208SC..EExtended strand (participates in β ladder)trans-109.2146.9-175.5-149.5179.1-157.8176.15.4112D237 E239 I318 F319 Y324D237-R322 PolarHBondContact O-NH1 2.91Å; E239-R322 WeakPolarHBondContact OE1-CB 3.37Å; E239-R322 WeakPolarHBondContact OE2-CB 3.39Å; E239-R322 WeakPolarHBondContact OE2-CD 3.37Å; I318-R322 WeakPolarHBondContact CA-O 3.4Å; F319-R322 PolarHBondContact N-O 3.07Å; F319-R322 VanDerWaalsContact N-O 3.07Å; F319-R322 PolarHBondContact O-N 2.84Å; F319-R322 VanDerWaalsContact O-O 3.13Å; R322-Y324 HydrophobicContact CB-CE2 4.01Å; R322-Y324 WeakPolarHBondContact CD-OH 3.36Å; R322-Y324 HydrophobicContact CG-CE2 4.3Å
323K95.1Very high92.6Very high108 Ų10843.6 Ų43.647%0.4721%0.207SC..EExtended strand (participates in β ladder)trans-103.5128.4171.6-60-170.2171.2-159.20110.2E316 I318 I325 Y383E316-K323 IonicContact OE2-NZ 3.77Å; E316-K323 PolarHBondContact OE2-NZ 3.02Å; I318-K323 HydrophobicContact CD1-CD 4.48Å; I318-K323 HydrophobicContact CD1-CG 4.32Å; I318-K323 HydrophobicContact CG1-CG 4.16Å; K323-I325 HydrophobicContact CB-CG1 4.45Å; K323-Y383 PolarHBondContact O-OH 2.8Å
324Y96.5Very high91.8Very high0 Ų046.8 Ų46.80%022%0.22CC..EExtended strand (participates in β ladder)trans-108.6116.3171.9-68.6-89.7000108.7E239 F317 F319 R322 F368 L381 Y383E239-Y324 WeakPolarHBondContact CB-OH 3.22Å; E239-Y324 WeakPolarHBondContact OE2-CE2 3.39Å; E239-Y324 PolarHBondContact OE2-OH 2.87Å; F317-Y324 PolarHBondContact N-O 2.88Å; F317-Y324 PolarHBondContact O-N 3.14Å; F319-Y324 AromaticContact CD2-CD2 3.64Å; F319-Y324 HydrophobicContact CD2-CD2 3.64Å; F319-Y324 AromaticContact CD2-CE2 3.97Å; F319-Y324 HydrophobicContact CD2-CE2 3.97Å; F319-Y324 HydrophobicContact CE2-CD2 4.26Å; R322-Y324 HydrophobicContact CB-CE2 4.01Å; R322-Y324 WeakPolarHBondContact CD-OH 3.36Å; R322-Y324 HydrophobicContact CG-CE2 4.3Å; Y324-F368 AromaticContact CD1-CD1 3.51Å; Y324-F368 HydrophobicContact CD1-CD1 3.51Å; Y324-F368 AromaticContact CD1-CE1 3.64Å; Y324-F368 HydrophobicContact CD1-CE1 3.64Å; Y324-F368 HydrophobicContact CD1-CG 4.05Å; Y324-F368 HydrophobicContact CD1-CZ 4.31Å; Y324-F368 HydrophobicContact CE1-CD1 4.35Å; Y324-F368 HydrophobicContact CG-CD1 4.35Å; Y324-F368 HydrophobicContact CG-CE1 4.18Å; Y324-F368 HydrophobicContact CG-CZ 4.42Å; Y324-L381 HydrophobicContact CE1-CB 3.75Å; Y324-L381 HydrophobicContact CE2-CB 4.44Å; Y324-L381 HydrophobicContact CE2-CD1 4.35Å; Y324-L381 PolarHBondContact OH-O 2.72Å; Y324-Y383 HydrophobicContact CD1-CE2 4.32Å
325I96.3Very high90.6Very high54 Ų5445 Ų4528%0.27721%0.208SC..EExtended strand (participates in β ladder)trans-110.1120.9-168.8-53.9-179.8000110P314 I315 E316 K323 L327 Y383P314-I325 HydrophobicContact CB-CG2 3.78Å; I315-I325 WeakPolarHBondContact O-CA 3.22Å; E316-I325 HydrophobicContact CG-CG1 4.28Å; K323-I325 HydrophobicContact CB-CG1 4.45Å; I325-L327 HydrophobicContact CG2-CD2 4Å; I325-Y383 PolarHBondContact N-OH 2.65Å
326L94.8Very high89.5Confident0 Ų050.7 Ų50.70%023%0.23CC..EExtended strand (participates in β ladder)trans-93.3118.4165.3-62.4-179.2000109I278 P314 I315 F317 H330 Y331 R367 F368I278-L326 HydrophobicContact CD1-CD1 4.25Å; P314-L326 WeakPolarHBondContact CA-O 3.37Å; I315-L326 HydrophobicContact CB-CB 4.31Å; I315-L326 PolarHBondContact N-O 2.72Å; I315-L326 PolarHBondContact O-N 3.24Å; F317-L326 HydrophobicContact CD2-CG 4.47Å; F317-L326 HydrophobicContact CE2-CD1 3.6Å; F317-L326 HydrophobicContact CE2-CG 3.89Å; F317-L326 HydrophobicContact CZ-CD1 4.21Å; L326-H330 HydrophobicContact CD2-CB 4.36Å; L326-Y331 HydrophobicContact CB-CD1 3.89Å; L326-R367 HydrophobicContact CD2-CB 3.44Å; L326-R367 VanDerWaalsContact CD2-CB 3.44Å; L326-R367 HydrophobicContact CD2-CG 3.87Å; L326-F368 HydrophobicContact CD2-CD2 4.36Å; L326-F368 HydrophobicContact CD2-CE2 3.45Å; L326-F368 VanDerWaalsContact CD2-CE2 3.45Å; L326-F368 HydrophobicContact CD2-CZ 3.73Å; L326-F368 HydrophobicContact CG-CE2 3.93Å; L326-F368 HydrophobicContact CG-CZ 4.24Å
327L94.5Very high88.2Confident63 Ų6350 Ų5033%0.3323%0.227SC..  trans-84.5158.2171.9-58.3177.2000109.6P314 I325 Q329 H330 Y331P314-L327 HydrophobicContact CB-CD2 4.15Å; I325-L327 HydrophobicContact CG2-CD2 4Å; L327-Q329 VanDerWaalsContact CB-CD 3.48Å; L327-Q329 VanDerWaalsContact CD1-NE2 3.27Å; L327-Q329 PolarHBondContact O-N 3.4Å; L327-Q329 VanDerWaalsContact O-N 3.14Å; L327-H330 PolarHBondContact N-ND1 2.87Å; L327-H330 WeakPolarHBondContact O-CA 3.35Å; L327-H330 WeakPolarHBondContact O-CB 3.45Å; L327-H330 PolarHBondContact O-N 2.85Å; L327-Y331 VanDerWaalsContact C-CD1 3.47Å; L327-Y331 WeakPolarHBondContact O-CD1 3.37Å; L327-Y331 PolarHBondContact O-N 2.88Å
328P92.5Very high87.1Confident10 Ų1060.8 Ų60.87%0.06527%0.268CS..Hα-helixtrans-50.5-40.9-177.3-30.337.3000115.1I309 L312 H330 Y331 V332I309-P328 HydrophobicContact CG2-CB 3.83Å; I309-P328 WeakPolarHBondContact O-CB 3.39Å; L312-P328 HydrophobicContact CB-CB 4Å; L312-P328 HydrophobicContact CB-CG 3.85Å; L312-P328 WeakPolarHBondContact O-CG 3.16Å; P328-H330 PolarHBondContact O-N 3.25Å; P328-Y331 HydrophobicContact CB-CE1 4.28Å; P328-Y331 HydrophobicContact CG-CE1 4.19Å; P328-Y331 PolarHBondContact O-N 2.93Å; P328-V332 WeakPolarHBondContact O-CB 3.47Å; P328-V332 VanDerWaalsContact O-CG2 3.32Å; P328-V332 WeakPolarHBondContact O-CG2 3.29Å; P328-V332 PolarHBondContact O-N 3.04Å; P328-V332 VanDerWaalsContact O-N 3.13Å
329Q87.9Confident86.2Confident83 Ų8365.1 Ų65.139%0.38829%0.286SS..Hα-helixtrans-64.1-22.4177.569.6-8523.600113.5Q214 L327Q214-Q329 PolarHBondContact NE2-O 2.87Å; L327-Q329 VanDerWaalsContact CB-CD 3.48Å; L327-Q329 VanDerWaalsContact CD1-NE2 3.27Å; L327-Q329 PolarHBondContact O-N 3.4Å; L327-Q329 VanDerWaalsContact O-N 3.14Å
330H87.6Confident85.4Confident25 Ų2566.8 Ų66.812%0.11630%0.303CS..Hα-helixtrans-86.5-37.5-180-56.6145.7000112.6L326 L327 P328 R367L326-H330 HydrophobicContact CD2-CB 4.36Å; L327-H330 PolarHBondContact N-ND1 2.87Å; L327-H330 WeakPolarHBondContact O-CA 3.35Å; L327-H330 WeakPolarHBondContact O-CB 3.45Å; L327-H330 PolarHBondContact O-N 2.85Å; P328-H330 PolarHBondContact O-N 3.25Å; H330-R367 PolarHBondContact CE1-NE 3.33Å
331Y88.5Confident85.1Confident2 Ų265.3 Ų65.31%0.00830%0.301CS..Hα-helixtrans-101.6-19.9-169.169.2-117.1000114.6L312 P313 I315 L326 L327 P328 V333 P346L312-Y331 WeakPolarHBondContact CB-OH 3.33Å; L312-Y331 HydrophobicContact CD1-CE2 4.11Å; P313-Y331 WeakPolarHBondContact O-CE1 3.42Å; P313-Y331 PolarHBondContact O-OH 2.97Å; I315-Y331 HydrophobicContact CD1-CD1 3.45Å; I315-Y331 VanDerWaalsContact CD1-CD1 3.45Å; I315-Y331 HydrophobicContact CD1-CD2 4.1Å; I315-Y331 HydrophobicContact CD1-CE1 3.62Å; I315-Y331 HydrophobicContact CD1-CE2 4.28Å; I315-Y331 HydrophobicContact CD1-CG 3.68Å; I315-Y331 HydrophobicContact CG1-CD1 4.05Å; I315-Y331 HydrophobicContact CG1-CE1 3.83Å; L326-Y331 HydrophobicContact CB-CD1 3.89Å; L327-Y331 VanDerWaalsContact C-CD1 3.47Å; L327-Y331 WeakPolarHBondContact O-CD1 3.37Å; L327-Y331 PolarHBondContact O-N 2.88Å; P328-Y331 HydrophobicContact CB-CE1 4.28Å; P328-Y331 HydrophobicContact CG-CE1 4.19Å; P328-Y331 PolarHBondContact O-N 2.93Å; Y331-V333 PolarHBondContact O-N 3.19Å; Y331-P346 HydrophobicContact CD2-CG 3.74Å; Y331-P346 HydrophobicContact CG-CG 4.06Å; Y331-P346 WeakPolarHBondContact O-CB 3.42Å
332V88.4Confident85.2Confident10 Ų1056.9 Ų56.96%0.06127%0.266CS..  trans-70.3118.1178.7173.10000109.4L304 I309 L312 P328 K334 C343L304-V332 HydrophobicContact CD1-CG2 4.05Å; I309-V332 HydrophobicContact CD1-CG1 3.99Å; I309-V332 HydrophobicContact CG1-CG1 4.21Å; I309-V332 HydrophobicContact CG1-CG2 4.34Å; I309-V332 HydrophobicContact CG2-CG2 4.2Å; L312-V332 HydrophobicContact CD1-CG2 3.59Å; P328-V332 WeakPolarHBondContact O-CB 3.47Å; P328-V332 VanDerWaalsContact O-CG2 3.32Å; P328-V332 WeakPolarHBondContact O-CG2 3.29Å; P328-V332 PolarHBondContact O-N 3.04Å; P328-V332 VanDerWaalsContact O-N 3.13Å; V332-K334 HydrophobicContact CG1-CG 4.47Å; V332-K334 PolarHBondContact O-N 2.8Å; V332-C343 HydrophobicContact CG1-CB 3.68Å
333V80.8Confident84.8Confident19 Ų1953 Ų5312%0.11525%0.251CS..EExtended strand (participates in β ladder)trans-81.3115.4178.41780000108.6L67 Y331 V335 C343 S344L67-V333 HydrophobicContact CD1-CG1 3.85Å; Y331-V333 PolarHBondContact O-N 3.19Å; V333-V335 HydrophobicContact CG1-CG2 4.43Å; V333-C343 CarbonylContact O-C 3.6Å; V333-C343 WeakPolarHBondContact O-CA 3.44Å; V333-S344 WeakPolarHBondContact CB-OG 3.43Å; V333-S344 PolarHBondContact N-O 3.28Å; V333-S344 PolarHBondContact O-N 3.44Å; V333-S344 PolarHBondContact O-OG 3.11Å
334K78.6Confident84.5Confident87 Ų8748 Ų4838%0.37823%0.23SC..EExtended strand (participates in β ladder)trans-96.8122.9178.3-62.1-178.2-177.4177.70110.5V332 T341V332-K334 HydrophobicContact CG1-CG 4.47Å; V332-K334 PolarHBondContact O-N 2.8Å; K334-T341 HydrophobicContact CB-CG2 4.13Å
335V71.7Confident84.3Confident14 Ų1448 Ų489%0.08523%0.23CC..EExtended strand (participates in β ladder)trans-113.1108.4175.2-174.80000108.3V333 L337 M342V333-V335 HydrophobicContact CG1-CG2 4.43Å; V335-L337 HydrophobicContact CG1-CD2 3.79Å; V335-L337 HydrophobicContact CG1-CG 4.06Å; V335-L337 PolarHBondContact O-N 3.2Å; V335-M342 HydrophobicContact CB-CB 4.35Å; V335-M342 HydrophobicContact CB-CE 4.1Å; V335-M342 HydrophobicContact CG1-CE 4.4Å; V335-M342 HydrophobicContact CG2-CE 4.09Å; V335-M342 PolarHBondContact N-O 3.37Å; V335-M342 PolarHBondContact O-N 2.92Å
336Y73.9Confident84Confident120 Ų12045.5 Ų45.547%0.47122%0.217SC..EExtended strand (participates in β ladder)trans-73.9122170.2-52.7-72.3000109.7K27 N216 T341K27-Y336 PolarHBondContact NZ-O 3.41Å; N216-Y336 HydrophobicContact CB-CE2 4.17Å; N216-Y336 WeakPolarHBondContact ND2-CE2 3.46Å; Y336-T341 HydrophobicContact CD1-CG2 3.98Å; Y336-T341 WeakPolarHBondContact CD1-OG1 3.44Å; Y336-T341 HydrophobicContact CE1-CG2 3.92Å
337L70.4Confident83.9Confident32 Ų3245.5 Ų45.517%0.16822%0.217CC..EExtended strand (participates in β ladder)trans-119.4161.5175.5-58.5172.1000108V335 F339 G340 M342V335-L337 HydrophobicContact CG1-CD2 3.79Å; V335-L337 HydrophobicContact CG1-CG 4.06Å; V335-L337 PolarHBondContact O-N 3.2Å; L337-F339 HydrophobicContact CB-CD1 4.13Å; L337-F339 HydrophobicContact CB-CE1 3.86Å; L337-F339 HydrophobicContact CB-CE2 4.41Å; L337-F339 HydrophobicContact CB-CZ 4.03Å; L337-F339 HydrophobicContact CD1-CE1 3.85Å; L337-F339 HydrophobicContact CD1-CE2 3.88Å; L337-F339 HydrophobicContact CD1-CZ 3.3Å; L337-F339 HydrophobicContact CG-CE1 4.42Å; L337-F339 HydrophobicContact CG-CZ 4.27Å; L337-F339 PolarHBondContact O-N 3.4Å; L337-F339 VanDerWaalsContact O-N 3.11Å; L337-G340 CarbonylContact C-O 3.58Å; L337-G340 WeakPolarHBondContact CA-O 3.26Å; L337-G340 WeakPolarHBondContact CB-O 3.4Å; L337-G340 PolarHBondContact N-O 2.82Å; L337-G340 PolarHBondContact O-N 3.22Å; L337-M342 HydrophobicContact CD1-CB 4.03Å; L337-M342 HydrophobicContact CD1-SD 4.49Å
338W73.5Confident83.7Confident226 Ų22642.9 Ų42.986%0.85620%0.203SC*.THydrogen-bonded Turntrans-60.7-23.9-178.469.7-89.1000113.8
339F78.1Confident83.6Confident122 Ų12243 Ų4354%0.53521%0.205SC..THydrogen-bonded Turntrans-99.84.8178.158.3-94.5000114.1L337L337-F339 HydrophobicContact CB-CD1 4.13Å; L337-F339 HydrophobicContact CB-CE1 3.86Å; L337-F339 HydrophobicContact CB-CE2 4.41Å; L337-F339 HydrophobicContact CB-CZ 4.03Å; L337-F339 HydrophobicContact CD1-CE1 3.85Å; L337-F339 HydrophobicContact CD1-CE2 3.88Å; L337-F339 HydrophobicContact CD1-CZ 3.3Å; L337-F339 HydrophobicContact CG-CE1 4.42Å; L337-F339 HydrophobicContact CG-CZ 4.27Å; L337-F339 PolarHBondContact O-N 3.4Å; L337-F339 VanDerWaalsContact O-N 3.11Å
340G79.6Confident83.5Confident35 Ų3540 Ų4036%0.36119%0.192SC..EExtended strand (participates in β ladder)trans140.6-174.217800000114L337L337-G340 CarbonylContact C-O 3.58Å; L337-G340 WeakPolarHBondContact CA-O 3.26Å; L337-G340 WeakPolarHBondContact CB-O 3.4Å; L337-G340 PolarHBondContact N-O 2.82Å; L337-G340 PolarHBondContact O-N 3.22Å
341T82.7Confident83.3Confident68 Ų6841.8 Ų41.842%0.41720%0.202SC..EExtended strand (participates in β ladder)trans-94.2123.8178.1-54.20000109.8C306 K334 Y336C306-T341 PolarHBondContact SG-O 3.03Å; K334-T341 HydrophobicContact CB-CG2 4.13Å; Y336-T341 HydrophobicContact CD1-CG2 3.98Å; Y336-T341 WeakPolarHBondContact CD1-OG1 3.44Å; Y336-T341 HydrophobicContact CE1-CG2 3.92Å
342M82.8Confident82.9Confident32 Ų3242.5 Ų42.516%0.15821%0.208CC..EExtended strand (participates in β ladder)trans-95.5127.3169.1-177.5178.469.800109.2V303 V335 L337V303-M342 HydrophobicContact CG1-CG 4.15Å; V303-M342 HydrophobicContact CG2-CG 4.24Å; V303-M342 HydrophobicContact CG2-SD 3.97Å; V335-M342 HydrophobicContact CB-CB 4.35Å; V335-M342 HydrophobicContact CB-CE 4.1Å; V335-M342 HydrophobicContact CG1-CE 4.4Å; V335-M342 HydrophobicContact CG2-CE 4.09Å; V335-M342 PolarHBondContact N-O 3.37Å; V335-M342 PolarHBondContact O-N 2.92Å; L337-M342 HydrophobicContact CD1-CB 4.03Å; L337-M342 HydrophobicContact CD1-SD 4.49Å
343C87.7Confident82.9Confident2 Ų242.4 Ų42.41%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-102.5135.3174.3-62.10000109V303 L304 C306 V332 V333V303-C343 WeakPolarHBondContact CA-O 3.39Å; L304-C343 HydrophobicContact CB-CB 4.34Å; L304-C343 PolarHBondContact N-O 3.24Å; C306-C343 WeakPolarHBondContact CA-SG 3.04Å; C306-C343 HydrophobicContact CB-CB 4.09Å; C306-C343 WeakPolarHBondContact CB-SG 3.37Å; C306-C343 WeakPolarHBondContact SG-CB 3.47Å; C306-C343 PolarHBondContact SG-N 3.38Å; C306-C343 CovalentContact SG-SG 2.03Å; C306-C343 PolarHBondContact SG-SG 2.9Å; V332-C343 HydrophobicContact CG1-CB 3.68Å; V333-C343 CarbonylContact O-C 3.6Å; V333-C343 WeakPolarHBondContact O-CA 3.44Å
344S87.8Confident83.4Confident3 Ų343.5 Ų43.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-130.6152.717861.60000112.5N302 V333N302-S344 CarbonylContact O-C 3.54Å; N302-S344 WeakPolarHBondContact O-CA 2.8Å; N302-S344 WeakPolarHBondContact O-CB 3.16Å; V333-S344 WeakPolarHBondContact CB-OG 3.43Å; V333-S344 PolarHBondContact N-O 3.28Å; V333-S344 PolarHBondContact O-N 3.44Å; V333-S344 PolarHBondContact O-OG 3.11Å
345S91.7Very high84Confident2 Ų242.7 Ų42.71%0.01422%0.219CC..  trans-57.5145.5170.9-179.50000110.8N289 N302 F347N289-S345 WeakPolarHBondContact OD1-CB 3.07Å; N289-S345 PolarHBondContact OD1-OG 3.44Å; N302-S345 PolarHBondContact O-N 3.07Å; S345-F347 PolarHBondContact O-N 3.48Å; S345-F347 PolarHBondContact OG-N 3.03Å; S345-F347 VanDerWaalsContact OG-N 3.15Å
346P91.1Very high85Confident0 Ų046 Ų460%024%0.236CC..SBendtrans-73.5-10.3170.933.1-37.7000112V277 I278 I315 Y331 A363V277-P346 WeakPolarHBondContact CB-O 3.28Å; I278-P346 PolarHBondContact N-O 3.4Å; I315-P346 HydrophobicContact CD1-CG 4.15Å; Y331-P346 HydrophobicContact CD2-CG 3.74Å; Y331-P346 HydrophobicContact CG-CG 4.06Å; Y331-P346 WeakPolarHBondContact O-CB 3.42Å; P346-A363 HydrophobicContact CB-CB 4.04Å
347F92.9Very high86Confident0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-99.3133.1-174.9-66.7-83.5000112.4L256 I258 I278 V285 I288 L292 N302 I315 S345 W358L256-F347 HydrophobicContact CD2-CE1 4.36Å; I258-F347 HydrophobicContact CD1-CE2 3.98Å; I258-F347 HydrophobicContact CD1-CZ 3.98Å; I278-F347 HydrophobicContact CB-CD1 3.82Å; I278-F347 HydrophobicContact CB-CE1 3.99Å; I278-F347 HydrophobicContact CD1-CE1 4.24Å; I278-F347 HydrophobicContact CD1-CZ 4.36Å; I278-F347 HydrophobicContact CG2-CD1 3.63Å; I278-F347 HydrophobicContact CG2-CE1 3.52Å; I278-F347 WeakPolarHBondContact O-CA 3.47Å; V285-F347 HydrophobicContact CG1-CB 4.07Å; I288-F347 HydrophobicContact CD1-CD1 4Å; I288-F347 HydrophobicContact CD1-CE1 3.83Å; I288-F347 HydrophobicContact CD1-CE2 4.47Å; I288-F347 HydrophobicContact CD1-CG 4.39Å; I288-F347 HydrophobicContact CD1-CZ 4.08Å; I288-F347 HydrophobicContact CG2-CD2 3.42Å; I288-F347 VanDerWaalsContact CG2-CD2 3.42Å; I288-F347 HydrophobicContact CG2-CE2 3.58Å; I288-F347 HydrophobicContact CG2-CG 3.95Å; I288-F347 HydrophobicContact CG2-CZ 4.24Å; L292-F347 HydrophobicContact CD1-CD2 4.15Å; L292-F347 HydrophobicContact CD1-CE2 4.47Å; N302-F347 PolarHBondContact ND2-O 3.23Å; I315-F347 HydrophobicContact CD1-CE2 3.48Å; I315-F347 VanDerWaalsContact CD1-CE2 3.48Å; I315-F347 HydrophobicContact CD1-CZ 3.96Å; I315-F347 HydrophobicContact CG1-CE2 4.24Å; I315-F347 HydrophobicContact CG2-CZ 4.03Å; S345-F347 PolarHBondContact O-N 3.48Å; S345-F347 PolarHBondContact OG-N 3.03Å; S345-F347 VanDerWaalsContact OG-N 3.15Å; F347-W358 AromaticContact CD1-CZ3 3.84Å; F347-W358 HydrophobicContact CD1-CZ3 3.84Å; F347-W358 HydrophobicContact CE1-CE3 4.44Å; F347-W358 AromaticContact CE1-CZ3 3.85Å; F347-W358 HydrophobicContact CE1-CZ3 3.85Å
348E89.1Confident87.3Confident9 Ų939.3 Ų39.34%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-133144.5172.2-61.2-170.9165.500111.7K65 V277 I278 L279 G280K65-E348 VanDerWaalsContact CD-OE1 3.27Å; K65-E348 WeakPolarHBondContact CD-OE1 3.43Å; K65-E348 WeakPolarHBondContact CD-OE2 3.44Å; K65-E348 WeakPolarHBondContact CE-OE2 3.44Å; K65-E348 IonicContact NZ-OE1 2.98Å; K65-E348 PolarHBondContact NZ-OE1 3.04Å; K65-E348 IonicContact NZ-OE2 3.07Å; K65-E348 PolarHBondContact NZ-OE2 2.95Å; V277-E348 HydrophobicContact CB-CG 4.29Å; V277-E348 HydrophobicContact CG1-CG 4.31Å; V277-E348 HydrophobicContact CG2-CB 4.13Å; V277-E348 HydrophobicContact CG2-CG 4Å; I278-E348 PolarHBondContact O-N 3.47Å; L279-E348 WeakPolarHBondContact CA-O 3.49Å; L279-E348 HydrophobicContact CD2-CB 3.78Å; G280-E348 PolarHBondContact N-O 3.27Å
349A90.1Very high88.3Confident13 Ų1328.6 Ų28.611%0.10717%0.169CC..EExtended strand (participates in β ladder)trans-81.9131.7-177.400000110.2R44 G280 R282 V285R44-A349 PolarHBondContact NH1-O 3.08Å; R44-A349 PolarHBondContact NH2-O 3.02Å; G280-A349 WeakPolarHBondContact O-CA 3.48Å; R282-A349 HydrophobicContact CB-CB 3.9Å; R282-A349 HydrophobicContact CG-CB 4.14Å; V285-A349 HydrophobicContact CB-CB 4.17Å; V285-A349 HydrophobicContact CG1-CB 4.15Å
350D86Confident89.1Confident20 Ų2022.8 Ų22.811%0.10714%0.143CC..  trans-120.6118.2165.7-169.9-24.7000108.8L279 G280 S352 L353L279-D350 HydrophobicContact CB-CB 4.43Å; G280-D350 PolarHBondContact O-N 2.64Å; D350-S352 PolarHBondContact O-N 3.06Å; D350-S352 WeakPolarHBondContact OD1-CB 3.35Å; D350-S352 PolarHBondContact OD1-N 3.3Å; D350-S352 PolarHBondContact OD1-OG 3.42Å; D350-S352 PolarHBondContact OD2-OG 3.49Å; D350-L353 HydrophobicContact CB-CD1 3.88Å; D350-L353 HydrophobicContact CB-CG 3.92Å; D350-L353 PolarHBondContact O-N 2.92Å
351D83.8Confident89.7Confident62 Ų6221.1 Ų21.133%0.33213%0.126SC..THydrogen-bonded Turntrans-72.1-12.8-174.5-59.4-26.4000112.9R44 R282R44-D351 IonicContact NH1-OD1 2.83Å; R44-D351 IonicContact NH1-OD2 2.72Å; R282-D351 IonicContact CZ-OD1 3.63Å; R282-D351 IonicContact CZ-OD2 2.7Å; R282-D351 IonicContact NE-OD1 3.59Å; R282-D351 PolarHBondContact NE-OD1 3.03Å; R282-D351 VanDerWaalsContact NE-OD1 3.08Å; R282-D351 IonicContact NH1-OD1 2.69Å; R282-D351 PolarHBondContact NH1-OD1 2.62Å; R282-D351 IonicContact NH1-OD2 2.85Å; R282-D351 PolarHBondContact NH1-OD2 2.96Å; R282-D351 IonicContact NH2-OD1 2.8Å; R282-D351 PolarHBondContact NH2-OD1 3.18Å; R282-D351 IonicContact NH2-OD2 2.9Å; R282-D351 PolarHBondContact NH2-OD2 2.86Å
352S80.9Confident90Very high17 Ų1718 Ų1812%0.11911%0.107CC..THydrogen-bonded Turntrans-88.9-17-176.784.70000112.1Y48 D350Y48-S352 WeakPolarHBondContact CD2-OG 3.36Å; Y48-S352 WeakPolarHBondContact CE2-OG 3.41Å; Y48-S352 VanDerWaalsContact CG-OG 3.29Å; D350-S352 PolarHBondContact O-N 3.06Å; D350-S352 WeakPolarHBondContact OD1-CB 3.35Å; D350-S352 PolarHBondContact OD1-N 3.3Å; D350-S352 PolarHBondContact OD1-OG 3.42Å; D350-S352 PolarHBondContact OD2-OG 3.49Å
353L88.3Confident90.3Very high8 Ų816.7 Ų16.74%0.04210%0.101CC..SBendtrans-83.8130.4179.7-67.5-178.8000111.2L279 E281 D350 V357 I359L279-L353 HydrophobicContact CB-CD1 3.76Å; E281-L353 WeakPolarHBondContact CB-O 3.38Å; D350-L353 HydrophobicContact CB-CD1 3.88Å; D350-L353 HydrophobicContact CB-CG 3.92Å; D350-L353 PolarHBondContact O-N 2.92Å; L353-V357 HydrophobicContact CD2-CG1 4.04Å; L353-I359 HydrophobicContact CD1-CD1 3.97Å; L353-I359 HydrophobicContact CD1-CG1 4.05Å; L353-I359 HydrophobicContact CD2-CD1 4.06Å; L353-I359 HydrophobicContact CD2-CG1 4.38Å
354P91.7Very high90.6Very high42 Ų4216.6 Ų16.627%0.27310%0.1SC..  trans-60.2153.8166.6-22.533.4000112N356 V357P354-N356 WeakPolarHBondContact CB-OD1 3.46Å; P354-N356 PolarHBondContact O-N 2.54Å; P354-V357 HydrophobicContact CB-CG2 4.12Å; P354-V357 HydrophobicContact CG-CG2 4.1Å; P354-V357 PolarHBondContact O-N 3.29Å
355S91.2Very high90.9Very high69 Ų6916.5 Ų16.548%0.48310%0.1SC..THydrogen-bonded Turntrans-60.5-18.4-179.159.80000115.1
356N92.5Very high90.9Very high83 Ų8318 Ų1844%0.44411%0.105SC..THydrogen-bonded Turntrans-103.217.3177.571.7-46.3000113.4C267 T268 P354C267-N356 WeakPolarHBondContact CA-O 3.45Å; C267-N356 HydrophobicContact CB-CB 4.35Å; C267-N356 WeakPolarHBondContact CB-O 3.03Å; T268-N356 PolarHBondContact N-O 2.84Å; P354-N356 WeakPolarHBondContact CB-OD1 3.46Å; P354-N356 PolarHBondContact O-N 2.54Å
357V94.5Very high91Very high11 Ų1119.3 Ų19.37%0.06711%0.11CC..EExtended strand (participates in β ladder)trans-124.3132.8177.1179.60000109.9T268 L353 P354T268-V357 CarbonylContact O-C 3.51Å; T268-V357 WeakPolarHBondContact O-CA 3.26Å; L353-V357 HydrophobicContact CD2-CG1 4.04Å; P354-V357 HydrophobicContact CB-CG2 4.12Å; P354-V357 HydrophobicContact CG-CG2 4.1Å; P354-V357 PolarHBondContact O-N 3.29Å
358W96.4Very high91.1Very high1 Ų119.3 Ų19.30%0.00411%0.11CC..EExtended strand (participates in β ladder)trans-125.1146175.7-66.984.6000110.1M253 L256 F263 T268 A269 S270 I278 L279 Q284 V285 I288 F347 L360M253-W358 HydrophobicContact CE-CB 4.3Å; M253-W358 HydrophobicContact CE-CG 3.98Å; L256-W358 HydrophobicContact CD2-CD2 4.05Å; L256-W358 HydrophobicContact CD2-CE3 4.13Å; L256-W358 HydrophobicContact CD2-CH2 3.68Å; L256-W358 HydrophobicContact CD2-CZ2 3.56Å; L256-W358 HydrophobicContact CD2-CZ3 3.96Å; F263-W358 HydrophobicContact CB-CZ2 4.43Å; T268-W358 PolarHBondContact O-N 3.13Å; A269-W358 CarbonylContact C-O 3.38Å; A269-W358 WeakPolarHBondContact CA-O 3.12Å; S270-W358 PolarHBondContact N-O 2.76Å; I278-W358 HydrophobicContact CG2-CE3 3.95Å; I278-W358 HydrophobicContact CG2-CZ3 4.38Å; L279-W358 WeakPolarHBondContact O-CA 3.43Å; Q284-W358 HydrophobicContact CB-CH2 4.06Å; Q284-W358 HydrophobicContact CB-CZ2 4.04Å; V285-W358 HydrophobicContact CG2-CH2 4.46Å; V285-W358 HydrophobicContact CG2-CZ3 4.26Å; I288-W358 HydrophobicContact CD1-CH2 3.51Å; I288-W358 HydrophobicContact CD1-CZ2 4.44Å; I288-W358 HydrophobicContact CD1-CZ3 4.08Å; F347-W358 AromaticContact CD1-CZ3 3.84Å; F347-W358 HydrophobicContact CD1-CZ3 3.84Å; F347-W358 HydrophobicContact CE1-CE3 4.44Å; F347-W358 AromaticContact CE1-CZ3 3.85Å; F347-W358 HydrophobicContact CE1-CZ3 3.85Å; W358-L360 HydrophobicContact CB-CD2 4.41Å
359I94.8Very high91.5Very high2 Ų218.9 Ų18.91%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-111.2121167.4-55.6172.5000107.7L61 S270 D272 T275 I278 L279 L353L61-I359 HydrophobicContact CB-CD1 4.47Å; L61-I359 HydrophobicContact CD1-CD1 3.82Å; L61-I359 HydrophobicContact CD1-CG1 4.24Å; L61-I359 HydrophobicContact CD2-CD1 3.73Å; L61-I359 HydrophobicContact CG-CD1 4.21Å; S270-I359 CarbonylContact O-C 3.36Å; S270-I359 WeakPolarHBondContact O-CA 3.15Å; D272-I359 HydrophobicContact CB-CG2 3.64Å; T275-I359 HydrophobicContact CG2-CG2 4.18Å; I278-I359 CarbonylContact C-O 3.56Å; I278-I359 VanDerWaalsContact CA-O 3.31Å; I278-I359 WeakPolarHBondContact CA-O 3.43Å; L279-I359 HydrophobicContact CB-CB 4.02Å; L279-I359 HydrophobicContact CB-CD1 4.36Å; L279-I359 HydrophobicContact CB-CG1 4.44Å; L279-I359 HydrophobicContact CD1-CB 4.47Å; L279-I359 HydrophobicContact CD1-CD1 3.97Å; L279-I359 PolarHBondContact N-O 3.48Å; L279-I359 PolarHBondContact O-N 2.56Å; L353-I359 HydrophobicContact CD1-CD1 3.97Å; L353-I359 HydrophobicContact CD1-CG1 4.05Å; L353-I359 HydrophobicContact CD2-CD1 4.06Å; L353-I359 HydrophobicContact CD2-CG1 4.38Å
360L95.5Very high91.9Very high0 Ų018.3 Ų18.30%010%0.103CC..EExtended strand (participates in β ladder)trans-101.198.2179.7-54.4-174.2000108.6A269 S270 I271 D272 I278 F317 F319 W358 F364A269-L360 HydrophobicContact CB-CD1 3.79Å; A269-L360 HydrophobicContact CB-CG 4.07Å; S270-L360 PolarHBondContact O-N 2.88Å; I271-L360 WeakPolarHBondContact CA-O 3.08Å; D272-L360 PolarHBondContact N-O 3.42Å; I278-L360 HydrophobicContact CG2-CD2 3.91Å; F317-L360 HydrophobicContact CD1-CD1 4.37Å; F317-L360 HydrophobicContact CD1-CD2 4.1Å; F317-L360 HydrophobicContact CE1-CD2 3.68Å; F319-L360 HydrophobicContact CZ-CD1 3.79Å; W358-L360 HydrophobicContact CB-CD2 4.41Å; L360-F364 HydrophobicContact CB-CB 3.95Å; L360-F364 HydrophobicContact CB-CD1 4.07Å; L360-F364 HydrophobicContact CB-CG 3.94Å; L360-F364 HydrophobicContact CD1-CD1 4.25Å; L360-F364 HydrophobicContact CD1-CD2 4Å; L360-F364 HydrophobicContact CD1-CE1 4.24Å; L360-F364 HydrophobicContact CD1-CE2 3.98Å; L360-F364 HydrophobicContact CD1-CG 4.14Å; L360-F364 HydrophobicContact CD1-CZ 4.11Å
361G91.8Very high92.5Very high0 Ų017.3 Ų17.30%010%0.098CC..  trans-88.1-156.6178.900000114.6D272 T275 V277 A363 F364 M365D272-G361 WeakPolarHBondContact O-CA 3.41Å; T275-G361 CarbonylContact O-C 3.55Å; T275-G361 WeakPolarHBondContact O-CA 3.45Å; V277-G361 WeakPolarHBondContact O-CA 3.09Å; V277-G361 PolarHBondContact O-N 3.37Å; V277-G361 VanDerWaalsContact O-N 3.11Å; G361-A363 PolarHBondContact O-N 3.42Å; G361-A363 VanDerWaalsContact O-N 3.15Å; G361-F364 WeakPolarHBondContact O-CB 3.44Å; G361-F364 PolarHBondContact O-N 3Å; G361-M365 PolarHBondContact O-N 2.89Å
362D88.6Confident93.2Very high1 Ų114.4 Ų14.41%0.0058%0.082CC..Hα-helixtrans-53.3-36.9-179.1-61.8-24.9000113Y69 L212 T275 F364 M365 R366Y69-D362 HydrophobicContact CE2-CB 4.41Å; L212-D362 HydrophobicContact CD1-CB 3.97Å; L212-D362 WeakPolarHBondContact CD1-OD1 3.34Å; T275-D362 PolarHBondContact O-N 3.47Å; D362-F364 PolarHBondContact O-N 3.2Å; D362-M365 PolarHBondContact O-N 3.18Å; D362-M365 VanDerWaalsContact O-N 3.14Å; D362-R366 WeakPolarHBondContact O-CB 3.1Å; D362-R366 WeakPolarHBondContact O-CG 3.24Å; D362-R366 PolarHBondContact O-N 3.25Å
363A89.4Confident94Very high5 Ų513.8 Ų13.84%0.0418%0.078CC..Hα-helixtrans-55.8-33.3177.100000113S276 I278 P346 G361S276-A363 PolarHBondContact O-N 3.32Å; I278-A363 HydrophobicContact CG1-CB 4.17Å; P346-A363 HydrophobicContact CB-CB 4.04Å; G361-A363 PolarHBondContact O-N 3.42Å; G361-A363 VanDerWaalsContact O-N 3.15Å
364F94.6Very high94.4Very high0 Ų013.7 Ų13.70%08%0.077CC..Hα-helixtrans-81.8-49.7171.4178.1-91.9000110.9I271 F317 F319 L360 G361 D362 R366 R367 F368 L381I271-F364 HydrophobicContact CD1-CE1 4.34Å; F317-F364 HydrophobicContact CB-CE2 4.08Å; F317-F364 HydrophobicContact CD1-CD2 4.35Å; F317-F364 HydrophobicContact CD1-CE2 4.27Å; F317-F364 AromaticContact CD2-CD2 3.94Å; F317-F364 HydrophobicContact CD2-CD2 3.94Å; F317-F364 AromaticContact CD2-CE2 3.86Å; F317-F364 HydrophobicContact CD2-CE2 3.86Å; F317-F364 HydrophobicContact CE1-CD2 4.44Å; F317-F364 HydrophobicContact CE2-CD2 4.05Å; F317-F364 HydrophobicContact CE2-CE2 4.43Å; F317-F364 HydrophobicContact CG-CD2 4.13Å; F317-F364 AromaticContact CG-CE2 3.8Å; F317-F364 HydrophobicContact CG-CE2 3.8Å; F317-F364 HydrophobicContact CZ-CD2 4.32Å; F319-F364 HydrophobicContact CE2-CE2 4.22Å; F319-F364 AromaticContact CE2-CZ 3.95Å; F319-F364 HydrophobicContact CE2-CZ 3.95Å; F319-F364 HydrophobicContact CZ-CZ 4.36Å; L360-F364 HydrophobicContact CB-CB 3.95Å; L360-F364 HydrophobicContact CB-CD1 4.07Å; L360-F364 HydrophobicContact CB-CG 3.94Å; L360-F364 HydrophobicContact CD1-CD1 4.25Å; L360-F364 HydrophobicContact CD1-CD2 4Å; L360-F364 HydrophobicContact CD1-CE1 4.24Å; L360-F364 HydrophobicContact CD1-CE2 3.98Å; L360-F364 HydrophobicContact CD1-CG 4.14Å; L360-F364 HydrophobicContact CD1-CZ 4.11Å; G361-F364 WeakPolarHBondContact O-CB 3.44Å; G361-F364 PolarHBondContact O-N 3Å; D362-F364 PolarHBondContact O-N 3.2Å; F364-R366 VanDerWaalsContact C-N 3.28Å; F364-R366 PolarHBondContact O-N 2.89Å; F364-R367 PolarHBondContact O-N 2.85Å; F364-R367 VanDerWaalsContact O-N 3.15Å; F364-F368 AromaticContact CD1-CD2 3.87Å; F364-F368 HydrophobicContact CD1-CD2 3.87Å; F364-F368 AromaticContact CD2-CD2 3.62Å; F364-F368 HydrophobicContact CD2-CD2 3.62Å; F364-F368 AromaticContact CD2-CE2 3.65Å; F364-F368 HydrophobicContact CD2-CE2 3.65Å; F364-F368 HydrophobicContact CE1-CB 4.17Å; F364-F368 AromaticContact CE1-CD2 3.66Å; F364-F368 HydrophobicContact CE1-CD2 3.66Å; F364-F368 HydrophobicContact CE1-CG 4.29Å; F364-F368 AromaticContact CE2-CD2 3.39Å; F364-F368 HydrophobicContact CE2-CD2 3.39Å; F364-F368 AromaticContact CE2-CE2 3.46Å; F364-F368 HydrophobicContact CE2-CE2 3.46Å; F364-F368 VanDerWaalsContact CE2-CE2 3.46Å; F364-F368 HydrophobicContact CE2-CG 4.49Å; F364-F368 AromaticContact CG-CD2 3.85Å; F364-F368 HydrophobicContact CG-CD2 3.85Å; F364-F368 HydrophobicContact CG-CE2 4.28Å; F364-F368 HydrophobicContact CZ-CB 4.46Å; F364-F368 AromaticContact CZ-CD2 3.41Å; F364-F368 HydrophobicContact CZ-CD2 3.41Å; F364-F368 VanDerWaalsContact CZ-CD2 3.41Å; F364-F368 AromaticContact CZ-CE2 3.94Å; F364-F368 HydrophobicContact CZ-CE2 3.94Å; F364-F368 HydrophobicContact CZ-CG 4.15Å; F364-F368 WeakPolarHBondContact O-CD2 2.9Å; F364-F368 PolarHBondContact O-N 2.86Å; F364-L381 HydrophobicContact CE1-CD1 4.26Å; F364-L381 HydrophobicContact CE1-CD2 4.03Å; F364-L381 HydrophobicContact CZ-CD1 4.07Å
365M94.3Very high94.5Very high1 Ų113.4 Ų13.41%0.0058%0.082CC..Hα-helixtrans-67.8-20.1-172.9-63.6-175.763.500114.7F210 L212 I271 T273 G361 D362 R367 F368 T370 F372F210-M365 HydrophobicContact CB-CE 3.7Å; F210-M365 HydrophobicContact CG-CE 4.21Å; L212-M365 HydrophobicContact CD1-CB 3.76Å; L212-M365 HydrophobicContact CG-CB 4.49Å; I271-M365 HydrophobicContact CG2-CE 4.37Å; I271-M365 HydrophobicContact CG2-CG 3.82Å; I271-M365 HydrophobicContact CG2-SD 3.55Å; I271-M365 VanDerWaalsContact CG2-SD 3.55Å; T273-M365 HydrophobicContact CG2-CE 3.49Å; T273-M365 VanDerWaalsContact CG2-CE 3.49Å; T273-M365 HydrophobicContact CG2-SD 3.76Å; G361-M365 PolarHBondContact O-N 2.89Å; D362-M365 PolarHBondContact O-N 3.18Å; D362-M365 VanDerWaalsContact O-N 3.14Å; M365-R367 PolarHBondContact O-N 3.4Å; M365-F368 CarbonylContact O-C 3.53Å; M365-T370 HydrophobicContact CE-CG2 4.4Å; M365-F372 HydrophobicContact CE-CE2 4.09Å; M365-F372 HydrophobicContact CE-CZ 4.14Å
366R91.2Very high94.8Very high34 Ų3415.9 Ų15.913%0.1289%0.086CC..THydrogen-bonded Turntrans-65-26.8173.3-76.7171.7-161.2-145.51.1113.1Y69 L212 D362 F364Y69-R366 PolarHBondContact OH-NE 2.85Å; L212-R366 HydrophobicContact CB-CG 3.93Å; D362-R366 WeakPolarHBondContact O-CB 3.1Å; D362-R366 WeakPolarHBondContact O-CG 3.24Å; D362-R366 PolarHBondContact O-N 3.25Å; F364-R366 VanDerWaalsContact C-N 3.28Å; F364-R366 PolarHBondContact O-N 2.89Å
367R93.6Very high95Very high28 Ų2816.3 Ų16.311%0.1068%0.084CC..THydrogen-bonded Turntrans-97.3-26.9177.8-173.656.3-177.1160.46.1112.7L326 H330 F364 M365 V384 N386L326-R367 HydrophobicContact CD2-CB 3.44Å; L326-R367 VanDerWaalsContact CD2-CB 3.44Å; L326-R367 HydrophobicContact CD2-CG 3.87Å; H330-R367 PolarHBondContact CE1-NE 3.33Å; F364-R367 PolarHBondContact O-N 2.85Å; F364-R367 VanDerWaalsContact O-N 3.15Å; M365-R367 PolarHBondContact O-N 3.4Å; R367-V384 PolarHBondContact O-N 2.85Å; R367-N386 PolarHBondContact NH1-OD1 2.58Å
368F95.9Very high95.1Very high0 Ų018.7 Ų18.70%09%0.092CC..EExtended strand (participates in β ladder)trans-118.5115.3-174.5-49.1-60.3000110.5Y324 L326 F364 M365 T370 T382 Y383Y324-F368 AromaticContact CD1-CD1 3.51Å; Y324-F368 HydrophobicContact CD1-CD1 3.51Å; Y324-F368 AromaticContact CD1-CE1 3.64Å; Y324-F368 HydrophobicContact CD1-CE1 3.64Å; Y324-F368 HydrophobicContact CD1-CG 4.05Å; Y324-F368 HydrophobicContact CD1-CZ 4.31Å; Y324-F368 HydrophobicContact CE1-CD1 4.35Å; Y324-F368 HydrophobicContact CG-CD1 4.35Å; Y324-F368 HydrophobicContact CG-CE1 4.18Å; Y324-F368 HydrophobicContact CG-CZ 4.42Å; L326-F368 HydrophobicContact CD2-CD2 4.36Å; L326-F368 HydrophobicContact CD2-CE2 3.45Å; L326-F368 VanDerWaalsContact CD2-CE2 3.45Å; L326-F368 HydrophobicContact CD2-CZ 3.73Å; L326-F368 HydrophobicContact CG-CE2 3.93Å; L326-F368 HydrophobicContact CG-CZ 4.24Å; F364-F368 AromaticContact CD1-CD2 3.87Å; F364-F368 HydrophobicContact CD1-CD2 3.87Å; F364-F368 AromaticContact CD2-CD2 3.62Å; F364-F368 HydrophobicContact CD2-CD2 3.62Å; F364-F368 AromaticContact CD2-CE2 3.65Å; F364-F368 HydrophobicContact CD2-CE2 3.65Å; F364-F368 HydrophobicContact CE1-CB 4.17Å; F364-F368 AromaticContact CE1-CD2 3.66Å; F364-F368 HydrophobicContact CE1-CD2 3.66Å; F364-F368 HydrophobicContact CE1-CG 4.29Å; F364-F368 AromaticContact CE2-CD2 3.39Å; F364-F368 HydrophobicContact CE2-CD2 3.39Å; F364-F368 AromaticContact CE2-CE2 3.46Å; F364-F368 HydrophobicContact CE2-CE2 3.46Å; F364-F368 VanDerWaalsContact CE2-CE2 3.46Å; F364-F368 HydrophobicContact CE2-CG 4.49Å; F364-F368 AromaticContact CG-CD2 3.85Å; F364-F368 HydrophobicContact CG-CD2 3.85Å; F364-F368 HydrophobicContact CG-CE2 4.28Å; F364-F368 HydrophobicContact CZ-CB 4.46Å; F364-F368 AromaticContact CZ-CD2 3.41Å; F364-F368 HydrophobicContact CZ-CD2 3.41Å; F364-F368 VanDerWaalsContact CZ-CD2 3.41Å; F364-F368 AromaticContact CZ-CE2 3.94Å; F364-F368 HydrophobicContact CZ-CE2 3.94Å; F364-F368 HydrophobicContact CZ-CG 4.15Å; F364-F368 WeakPolarHBondContact O-CD2 2.9Å; F364-F368 PolarHBondContact O-N 2.86Å; M365-F368 CarbonylContact O-C 3.53Å; F368-T370 PolarHBondContact O-N 2.86Å; F368-T370 PolarHBondContact O-OG1 3.1Å; F368-T382 CarbonylContact C-O 3.51Å; F368-T382 WeakPolarHBondContact CA-O 3.41Å; F368-Y383 HydrophobicContact CD1-CD1 4.19Å; F368-Y383 HydrophobicContact CD1-CE1 4.23Å; F368-Y383 AromaticContact CE1-CD1 3.91Å; F368-Y383 HydrophobicContact CE1-CD1 3.91Å; F368-Y383 AromaticContact CE1-CE1 3.52Å; F368-Y383 HydrophobicContact CE1-CE1 3.52Å; F368-Y383 AromaticContact CE1-CZ 3.85Å
369Y97.1Very high95.2Very high0 Ų018.7 Ų18.70%09%0.092CC..EExtended strand (participates in β ladder)trans-65.5127.9173-170.7-73.3000108S209 V229 N230 F234 F238 V371 T382S209-Y369 VanDerWaalsContact CB-CE1 3.46Å; S209-Y369 WeakPolarHBondContact CB-OH 3.44Å; S209-Y369 PolarHBondContact OG-OH 3.49Å; V229-Y369 WeakPolarHBondContact CA-OH 3.44Å; V229-Y369 HydrophobicContact CB-CE1 4.19Å; V229-Y369 HydrophobicContact CG1-CE1 4.13Å; N230-Y369 PolarHBondContact N-OH 2.91Å; F234-Y369 HydrophobicContact CB-CD2 4.13Å; F234-Y369 HydrophobicContact CB-CG 4.01Å; F234-Y369 HydrophobicContact CD1-CD1 4.4Å; F234-Y369 HydrophobicContact CD1-CD2 4.23Å; F234-Y369 HydrophobicContact CD1-CE1 4.39Å; F234-Y369 HydrophobicContact CD1-CE2 4.24Å; F234-Y369 HydrophobicContact CD1-CG 4.33Å; F238-Y369 AromaticContact CE1-CD1 3.73Å; F238-Y369 HydrophobicContact CE1-CD1 3.73Å; F238-Y369 HydrophobicContact CE1-CE1 4.33Å; F238-Y369 AromaticContact CZ-CD1 3.84Å; F238-Y369 HydrophobicContact CZ-CD1 3.84Å; F238-Y369 HydrophobicContact CZ-CE1 4.09Å; Y369-V371 HydrophobicContact CD1-CG2 4.29Å; Y369-V371 HydrophobicContact CE1-CG2 4.05Å; Y369-T382 PolarHBondContact N-O 2.77Å; Y369-T382 PolarHBondContact O-N 2.99Å
370T98.3Very high95.3Very high0 Ų018.6 Ų18.60%09%0.091CC..EExtended strand (participates in β ladder)trans-117.7128.4-170.9-57.70000110.9S209 F210 I271 M365 F368 F372 I379 G380 L381S209-T370 CarbonylContact C-O 3.41Å; S209-T370 WeakPolarHBondContact CA-O 3.1Å; S209-T370 VanDerWaalsContact CB-O 3.28Å; S209-T370 WeakPolarHBondContact CB-O 3.43Å; F210-T370 PolarHBondContact N-O 3.49Å; F210-T370 PolarHBondContact O-N 3.09Å; I271-T370 HydrophobicContact CD1-CG2 4.28Å; I271-T370 HydrophobicContact CG2-CG2 4.27Å; M365-T370 HydrophobicContact CE-CG2 4.4Å; F368-T370 PolarHBondContact O-N 2.86Å; F368-T370 PolarHBondContact O-OG1 3.1Å; T370-F372 HydrophobicContact CG2-CD2 4.12Å; T370-F372 HydrophobicContact CG2-CE1 4.14Å; T370-F372 HydrophobicContact CG2-CE2 3.58Å; T370-F372 HydrophobicContact CG2-CZ 3.6Å; T370-I379 HydrophobicContact CG2-CG2 3.71Å; T370-G380 CarbonylContact C-O 3.6Å; T370-G380 WeakPolarHBondContact CA-O 3.41Å; T370-L381 HydrophobicContact CG2-CD2 4Å; T370-L381 WeakPolarHBondContact OG1-CD2 3.29Å
371V98.5Very high95.4Very high0 Ų018.6 Ų18.60%09%0.091CC..EExtended strand (participates in β ladder)trans-107.1130.3171.2-178.10000108.6I207 V229 F238 Y240 Y369 I379 G380I207-V371 HydrophobicContact CB-CG1 4.28Å; I207-V371 HydrophobicContact CD1-CG1 4.24Å; V229-V371 HydrophobicContact CG1-CG2 3.55Å; F238-V371 HydrophobicContact CD1-CG2 3.97Å; F238-V371 HydrophobicContact CE1-CG2 3.47Å; F238-V371 VanDerWaalsContact CE1-CG2 3.47Å; F238-V371 HydrophobicContact CE2-CG2 4.47Å; F238-V371 HydrophobicContact CZ-CG2 3.76Å; Y240-V371 HydrophobicContact CE1-CB 4.41Å; Y240-V371 HydrophobicContact CE1-CG1 4.24Å; Y369-V371 HydrophobicContact CD1-CG2 4.29Å; Y369-V371 HydrophobicContact CE1-CG2 4.05Å; V371-I379 CarbonylContact O-C 3.55Å; V371-I379 VanDerWaalsContact O-CA 3.24Å; V371-I379 WeakPolarHBondContact O-CA 3.39Å; V371-G380 PolarHBondContact N-O 3Å; V371-G380 PolarHBondContact O-N 3.18Å
372F98.4Very high95.6Very high0 Ų018.6 Ų18.60%09%0.091CC..EExtended strand (participates in β ladder)trans-105.3102.7171.9-61.5-87.2000108T88 I207 F208 F210 W249 I271 T273 M365 T370 F374 I379T88-F372 HydrophobicContact CG2-CD1 4.26Å; T88-F372 HydrophobicContact CG2-CD2 4.32Å; T88-F372 HydrophobicContact CG2-CE1 3.87Å; T88-F372 HydrophobicContact CG2-CE2 3.95Å; T88-F372 HydrophobicContact CG2-CG 4.46Å; T88-F372 HydrophobicContact CG2-CZ 3.7Å; I207-F372 VanDerWaalsContact CA-O 3.31Å; I207-F372 WeakPolarHBondContact CA-O 3.3Å; F208-F372 HydrophobicContact CD1-CB 4.2Å; F208-F372 HydrophobicContact CD2-CB 3.81Å; F208-F372 AromaticContact CD2-CD2 3.72Å; F208-F372 HydrophobicContact CD2-CD2 3.72Å; F208-F372 HydrophobicContact CD2-CG 4.07Å; F208-F372 HydrophobicContact CE1-CB 3.79Å; F208-F372 HydrophobicContact CE2-CB 3.35Å; F208-F372 HydrophobicContact CE2-CD1 4.33Å; F208-F372 AromaticContact CE2-CD2 3.33Å; F208-F372 HydrophobicContact CE2-CD2 3.33Å; F208-F372 HydrophobicContact CE2-CE2 4.18Å; F208-F372 AromaticContact CE2-CG 3.41Å; F208-F372 HydrophobicContact CE2-CG 3.41Å; F208-F372 VanDerWaalsContact CE2-CG 3.41Å; F208-F372 HydrophobicContact CG-CB 4.22Å; F208-F372 HydrophobicContact CZ-CB 3.34Å; F208-F372 HydrophobicContact CZ-CD1 4.45Å; F208-F372 HydrophobicContact CZ-CD2 4.16Å; F208-F372 AromaticContact CZ-CG 3.76Å; F208-F372 HydrophobicContact CZ-CG 3.76Å; F208-F372 PolarHBondContact N-O 2.98Å; F208-F372 PolarHBondContact O-N 2.83Å; F210-F372 AromaticContact CD2-CD2 3.97Å; F210-F372 HydrophobicContact CD2-CD2 3.97Å; F210-F372 AromaticContact CD2-CE2 3.66Å; F210-F372 HydrophobicContact CD2-CE2 3.66Å; F210-F372 HydrophobicContact CE2-CD2 4.4Å; F210-F372 HydrophobicContact CE2-CE2 4.22Å; W249-F372 HydrophobicContact CB-CD1 3.96Å; W249-F372 HydrophobicContact CB-CE1 3.82Å; W249-F372 AromaticContact CD1-CD1 3.89Å; W249-F372 HydrophobicContact CD2-CB 4.3Å; W249-F372 AromaticContact CD2-CD1 3.44Å; W249-F372 HydrophobicContact CD2-CD1 3.44Å; W249-F372 VanDerWaalsContact CD2-CD1 3.44Å; W249-F372 HydrophobicContact CD2-CE1 4.21Å; W249-F372 HydrophobicContact CD2-CG 4.31Å; W249-F372 AromaticContact CE2-CD1 3.77Å; W249-F372 HydrophobicContact CE3-CB 4.39Å; W249-F372 AromaticContact CE3-CD1 3.85Å; W249-F372 HydrophobicContact CE3-CD1 3.85Å; W249-F372 AromaticContact CG-CD1 3.49Å; W249-F372 HydrophobicContact CG-CD1 3.49Å; W249-F372 VanDerWaalsContact CG-CD1 3.49Å; W249-F372 AromaticContact CG-CE1 3.77Å; W249-F372 HydrophobicContact CG-CE1 3.77Å; W249-F372 HydrophobicContact CH2-CB 3.88Å; W249-F372 HydrophobicContact CZ2-CB 3.79Å; W249-F372 HydrophobicContact CZ2-CD1 4.42Å; W249-F372 HydrophobicContact CZ3-CB 4.2Å; W249-F372 HydrophobicContact CZ3-CD1 4.47Å; W249-F372 AromaticContact NE1-CD1 3.98Å; I271-F372 HydrophobicContact CB-CE1 4.21Å; I271-F372 HydrophobicContact CB-CZ 4.38Å; I271-F372 HydrophobicContact CG2-CE1 4.34Å; I271-F372 HydrophobicContact CG2-CZ 4Å; T273-F372 HydrophobicContact CG2-CE2 4.39Å; T273-F372 HydrophobicContact CG2-CZ 4.4Å; M365-F372 HydrophobicContact CE-CE2 4.09Å; M365-F372 HydrophobicContact CE-CZ 4.14Å; T370-F372 HydrophobicContact CG2-CD2 4.12Å; T370-F372 HydrophobicContact CG2-CE1 4.14Å; T370-F372 HydrophobicContact CG2-CE2 3.58Å; T370-F372 HydrophobicContact CG2-CZ 3.6Å; F372-F374 PolarHBondContact O-N 3.31Å; F372-I379 HydrophobicContact CD1-CD1 4.48Å; F372-I379 HydrophobicContact CD1-CG1 4.42Å; F372-I379 HydrophobicContact CE1-CD1 4.38Å
373D97.9Very high96Very high5 Ų520.9 Ų20.93%0.02710%0.1CC..EExtended strand (participates in β ladder)trans-94.495.3-178.2-177.4-16.7000109.2I207 Y240 G375 Q376 K377 R378I207-D373 HydrophobicContact CG2-CB 3.89Å; Y240-D373 HydrophobicContact CE1-CB 4.48Å; D373-G375 VanDerWaalsContact C-N 3.33Å; D373-G375 PolarHBondContact OD1-N 2.78Å; D373-Q376 PolarHBondContact OD1-N 3.29Å; D373-Q376 WeakPolarHBondContact OD2-CB 3.37Å; D373-K377 VanDerWaalsContact O-CA 3.32Å; D373-K377 WeakPolarHBondContact O-CA 3.48Å; D373-K377 PolarHBondContact O-N 2.88Å; D373-R378 HydrophobicContact CB-CG 3.7Å; D373-R378 WeakPolarHBondContact CB-O 3.48Å; D373-R378 PolarHBondContact N-O 3.45Å; D373-R378 PolarHBondContact O-N 3.13Å; D373-R378 VanDerWaalsContact O-N 3.15Å; D373-R378 IonicContact OD2-CZ 3.11Å; D373-R378 IonicContact OD2-NE 2.93Å; D373-R378 PolarHBondContact OD2-NE 2.77Å; D373-R378 IonicContact OD2-NH2 2.83Å; D373-R378 PolarHBondContact OD2-NH2 2.97Å; D373-R378 VanDerWaalsContact OD2-NH2 3.11Å
374F96.3Very high96.1Very high5 Ų520.7 Ų20.72%0.02210%0.099CC..THydrogen-bonded Turntrans-72.2-30-177.9-170.8-93.8000112S182 R184 F194 P195 L198 P206 W249 F372S182-F374 VanDerWaalsContact O-CE2 3.26Å; S182-F374 WeakPolarHBondContact O-CE2 3.5Å; R184-F374 HydrophobicContact CG-CE1 3.95Å; R184-F374 HydrophobicContact CG-CZ 3.52Å; F194-F374 HydrophobicContact CD1-CB 4.07Å; F194-F374 HydrophobicContact CD1-CD1 4.4Å; F194-F374 HydrophobicContact CD1-CD2 4.13Å; F194-F374 AromaticContact CD1-CG 3.98Å; F194-F374 HydrophobicContact CD1-CG 3.98Å; F194-F374 HydrophobicContact CE1-CB 3.62Å; F194-F374 HydrophobicContact CE1-CD1 4.4Å; F194-F374 AromaticContact CE1-CG 3.99Å; F194-F374 HydrophobicContact CE1-CG 3.99Å; P195-F374 HydrophobicContact CB-CE1 4.16Å; P195-F374 HydrophobicContact CB-CZ 3.89Å; P195-F374 HydrophobicContact CG-CZ 4.16Å; L198-F374 HydrophobicContact CD1-CD1 3.99Å; L198-F374 HydrophobicContact CD1-CE1 4.37Å; P206-F374 WeakPolarHBondContact O-CA 3.38Å; P206-F374 VanDerWaalsContact O-CB 3.24Å; P206-F374 WeakPolarHBondContact O-CB 3.2Å; P206-F374 PolarHBondContact O-N 2.67Å; W249-F374 HydrophobicContact CH2-CB 4.15Å; W249-F374 HydrophobicContact CH2-CD2 4.36Å; W249-F374 HydrophobicContact CZ2-CB 4.45Å; W249-F374 HydrophobicContact CZ2-CD2 4.09Å; F372-F374 PolarHBondContact O-N 3.31Å
375G94.7Very high95.8Very high37 Ų3721.2 Ų21.238%0.38110%0.102SC..THydrogen-bonded Turntrans-64.6-48.9176.300000111.9P206 D373P206-G375 PolarHBondContact O-N 2.9Å; P206-G375 VanDerWaalsContact O-N 3.1Å; D373-G375 VanDerWaalsContact C-N 3.33Å; D373-G375 PolarHBondContact OD1-N 2.78Å
376Q96.1Very high94.6Very high121 Ų12123.5 Ų23.557%0.56511%0.114SC*.THydrogen-bonded Turntrans-101.32.8-175-55.1-170.940.900114.1D373 R378D373-Q376 PolarHBondContact OD1-N 3.29Å; D373-Q376 WeakPolarHBondContact OD2-CB 3.37Å; Q376-R378 HydrophobicContact CB-CG 3.94Å; Q376-R378 VanDerWaalsContact CD-NH2 3.3Å; Q376-R378 VanDerWaalsContact NE2-NH2 3.12Å
377K96.1Very high93.1Very high92 Ų9231 Ų3140%0.415%0.148SC..THydrogen-bonded Turntrans53.358178.4-58.8-177.4179.6-177.60112.1T243 N246 D373T243-K377 PolarHBondContact N-O 2.67Å; T243-K377 PolarHBondContact OG1-O 2.99Å; N246-K377 PolarHBondContact OD1-NZ 3.1Å; D373-K377 VanDerWaalsContact O-CA 3.32Å; D373-K377 WeakPolarHBondContact O-CA 3.48Å; D373-K377 PolarHBondContact O-N 2.88Å
378R97.4Very high91.3Very high61 Ų6134.6 Ų34.623%0.2316%0.164CC..EExtended strand (participates in β ladder)trans-150159.7-177.160.9-169.7-169.6160.73.5110.7Y240 I241 D373 Q376Y240-R378 HydrophobicContact CD1-CG 3.87Å; I241-R378 CarbonylContact O-C 3.57Å; I241-R378 WeakPolarHBondContact O-CA 3.2Å; I241-R378 VanDerWaalsContact O-CB 3.31Å; I241-R378 WeakPolarHBondContact O-CB 3.37Å; D373-R378 HydrophobicContact CB-CG 3.7Å; D373-R378 WeakPolarHBondContact CB-O 3.48Å; D373-R378 PolarHBondContact N-O 3.45Å; D373-R378 PolarHBondContact O-N 3.13Å; D373-R378 VanDerWaalsContact O-N 3.15Å; D373-R378 IonicContact OD2-CZ 3.11Å; D373-R378 IonicContact OD2-NE 2.93Å; D373-R378 PolarHBondContact OD2-NE 2.77Å; D373-R378 IonicContact OD2-NH2 2.83Å; D373-R378 PolarHBondContact OD2-NH2 2.97Å; D373-R378 VanDerWaalsContact OD2-NH2 3.11Å; Q376-R378 HydrophobicContact CB-CG 3.94Å; Q376-R378 VanDerWaalsContact CD-NH2 3.3Å; Q376-R378 VanDerWaalsContact NE2-NH2 3.12Å
379I98.2Very high89Confident0 Ų035.1 Ų35.10%017%0.167CC..EExtended strand (participates in β ladder)trans-112129174.4-60.3-176.7000108.1Y240 I241 T243 W249 V251 I271 T370 V371 F372 L381Y240-I379 CarbonylContact C-O 3.4Å; Y240-I379 VanDerWaalsContact CA-O 3.31Å; Y240-I379 WeakPolarHBondContact CA-O 3.25Å; I241-I379 PolarHBondContact N-O 3.37Å; I241-I379 PolarHBondContact O-N 3.06Å; T243-I379 HydrophobicContact CG2-CG1 4.29Å; W249-I379 HydrophobicContact CB-CD1 3.93Å; W249-I379 HydrophobicContact CE3-CD1 4.38Å; W249-I379 HydrophobicContact CE3-CG1 3.93Å; V251-I379 HydrophobicContact CG1-CB 4.09Å; V251-I379 HydrophobicContact CG1-CD1 3.71Å; V251-I379 HydrophobicContact CG1-CG1 3.91Å; I271-I379 HydrophobicContact CB-CD1 4.2Å; I271-I379 HydrophobicContact CD1-CD1 3.79Å; I271-I379 HydrophobicContact CD1-CG2 3.68Å; I271-I379 HydrophobicContact CG1-CD1 3.85Å; T370-I379 HydrophobicContact CG2-CG2 3.71Å; V371-I379 CarbonylContact O-C 3.55Å; V371-I379 VanDerWaalsContact O-CA 3.24Å; V371-I379 WeakPolarHBondContact O-CA 3.39Å; F372-I379 HydrophobicContact CD1-CD1 4.48Å; F372-I379 HydrophobicContact CD1-CG1 4.42Å; F372-I379 HydrophobicContact CE1-CD1 4.38Å; I379-L381 HydrophobicContact CG2-CD2 4.11Å; I379-L381 HydrophobicContact CG2-CG 4.18Å
380G97.9Very high86.2Confident0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-93.8130.6169.700000110.8E239 Y240 T370 V371E239-G380 CarbonylContact O-C 3.43Å; E239-G380 WeakPolarHBondContact O-CA 3.35Å; Y240-G380 VanDerWaalsContact CD1-CA 3.46Å; T370-G380 CarbonylContact C-O 3.6Å; T370-G380 WeakPolarHBondContact CA-O 3.41Å; V371-G380 PolarHBondContact N-O 3Å; V371-G380 PolarHBondContact O-N 3.18Å
381L97.8Very high83.2Confident0 Ų042.9 Ų42.90%023%0.229CC..EExtended strand (participates in β ladder)trans-122.9139175.4-65.3175.7000111F238 E239 I241 I271 F319 Y324 F364 T370 I379F238-L381 WeakPolarHBondContact CA-O 3.22Å; E239-L381 PolarHBondContact N-O 3.22Å; E239-L381 PolarHBondContact O-N 2.81Å; I241-L381 HydrophobicContact CD1-CD1 3.88Å; I271-L381 HydrophobicContact CD1-CD1 4.46Å; I271-L381 HydrophobicContact CD1-CD2 3.97Å; F319-L381 HydrophobicContact CD2-CD1 4.25Å; F319-L381 HydrophobicContact CE2-CD1 4.16Å; Y324-L381 HydrophobicContact CE1-CB 3.75Å; Y324-L381 HydrophobicContact CE2-CB 4.44Å; Y324-L381 HydrophobicContact CE2-CD1 4.35Å; Y324-L381 PolarHBondContact OH-O 2.72Å; F364-L381 HydrophobicContact CE1-CD1 4.26Å; F364-L381 HydrophobicContact CE1-CD2 4.03Å; F364-L381 HydrophobicContact CZ-CD1 4.07Å; T370-L381 HydrophobicContact CG2-CD2 4Å; T370-L381 WeakPolarHBondContact OG1-CD2 3.29Å; I379-L381 HydrophobicContact CG2-CD2 4.11Å; I379-L381 HydrophobicContact CG2-CG 4.18Å
382T96.2Very high79.7Confident1 Ų154.4 Ų54.41%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-152.9174.4166-165.20000110.4F234 E235 D237 F238 F368 Y369F234-T382 HydrophobicContact CB-CG2 3.6Å; F234-T382 HydrophobicContact CD2-CG2 3.9Å; F234-T382 HydrophobicContact CG-CG2 3.97Å; E235-T382 PolarHBondContact O-OG1 2.79Å; D237-T382 PolarHBondContact O-OG1 3.46Å; F238-T382 HydrophobicContact CD1-CG2 3.74Å; F238-T382 HydrophobicContact CE1-CG2 3.42Å; F238-T382 VanDerWaalsContact CE1-CG2 3.42Å; F238-T382 HydrophobicContact CG-CG2 4.43Å; F238-T382 HydrophobicContact CZ-CG2 3.87Å; F368-T382 CarbonylContact C-O 3.51Å; F368-T382 WeakPolarHBondContact CA-O 3.41Å; Y369-T382 PolarHBondContact N-O 2.77Å; Y369-T382 PolarHBondContact O-N 2.99Å
383Y95Very high76.6Confident49 Ų4964 Ų6419%0.19232%0.322CS..EExtended strand (participates in β ladder)trans-75.6137.7177.5-74.2-95.5000111.6F234 E235 K323 Y324 I325 F368F234-Y383 WeakPolarHBondContact CA-O 3.06Å; E235-Y383 PolarHBondContact N-O 2.9Å; K323-Y383 PolarHBondContact O-OH 2.8Å; Y324-Y383 HydrophobicContact CD1-CE2 4.32Å; I325-Y383 PolarHBondContact N-OH 2.65Å; F368-Y383 HydrophobicContact CD1-CD1 4.19Å; F368-Y383 HydrophobicContact CD1-CE1 4.23Å; F368-Y383 AromaticContact CE1-CD1 3.91Å; F368-Y383 HydrophobicContact CE1-CD1 3.91Å; F368-Y383 AromaticContact CE1-CE1 3.52Å; F368-Y383 HydrophobicContact CE1-CE1 3.52Å; F368-Y383 AromaticContact CE1-CZ 3.85Å
384V93.2Very high75.5Confident1 Ų166.9 Ų66.91%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-62.6137165.4169.90000109.2Y211 Y233 R367Y211-V384 HydrophobicContact CD2-CG1 3.98Å; Y211-V384 HydrophobicContact CD2-CG2 4.16Å; Y211-V384 HydrophobicContact CE2-CG1 3.59Å; Y233-V384 VanDerWaalsContact O-CA 3.28Å; Y233-V384 WeakPolarHBondContact O-CA 3.35Å; R367-V384 PolarHBondContact O-N 2.85Å
385S87.5Confident74.4Confident10 Ų1070.2 Ų70.27%0.0735%0.353CS..PPolyproline II helixtrans-67.9134.6-177.8-172.20000112.1Y233 E235 K387Y233-S385 PolarHBondContact O-N 3.05Å; E235-S385 PolarHBondContact OE2-OG 3.49Å; S385-K387 PolarHBondContact O-N 2.6Å; S385-K387 PolarHBondContact OG-N 3.32Å
386N69.9Low73.3Confident49 Ų4972 Ų7226%0.26235%0.351SS..THydrogen-bonded Turntrans-71.6-10.8173.9-63.9-28.9000113R367 K388 N389R367-N386 PolarHBondContact NH1-OD1 2.58Å; N386-K388 VanDerWaalsContact C-N 3.25Å; N386-K388 PolarHBondContact O-N 3.13Å; N386-N389 PolarHBondContact O-N 3.32Å
387K60Low72Confident193 Ų19369.1 Ų69.184%0.83934%0.339SS*.THydrogen-bonded Turntrans-65.8-20.6-172-70.5-177.2-178.51760114.7S385S385-K387 PolarHBondContact O-N 2.6Å; S385-K387 PolarHBondContact OG-N 3.32Å
388K54Low70.5Confident102 Ų10267.7 Ų67.744%0.44334%0.335SS..THydrogen-bonded Turntrans-108.4-21.9177.8-75.3-166.3179.8177.80114.8E232 Y233 N386 G390E232-K388 IonicContact OE2-NZ 3.67Å; E232-K388 PolarHBondContact OE2-NZ 2.8Å; Y233-K388 HydrophobicContact CD1-CD 4.31Å; Y233-K388 HydrophobicContact CE1-CD 3.85Å; N386-K388 VanDerWaalsContact C-N 3.25Å; N386-K388 PolarHBondContact O-N 3.13Å; K388-G390 PolarHBondContact O-N 3.05Å; K388-G390 VanDerWaalsContact O-N 3.09Å
389N48.9Very low68.7Low12 Ų1268.1 Ų68.16%0.06434%0.342CS..SBendtrans-82.421.9-172.5-78.810.4000115.1Y211 E215 N386 T391Y211-N389 PolarHBondContact OH-OD1 2.91Å; E215-N389 WeakPolarHBondContact OE1-CA 3.42Å; N386-N389 PolarHBondContact O-N 3.32Å; N389-T391 PolarHBondContact O-N 3.29Å; N389-T391 PolarHBondContact O-OG1 3.01Å
390G37.9Very low66.6Low74 Ų7473 Ų7376%0.76337%0.366SS*.  trans56.3-1175.900000117K388 R392K388-G390 PolarHBondContact O-N 3.05Å; K388-G390 VanDerWaalsContact O-N 3.09Å; G390-R392 PolarHBondContact O-N 2.73Å
391T35Very low64.2Low88 Ų8878.6 Ų78.654%0.5439%0.394SS..  trans-100.286.3-170.9-34.70000107.2N389 I393N389-T391 PolarHBondContact O-N 3.29Å; N389-T391 PolarHBondContact O-OG1 3.01Å; T391-I393 PolarHBondContact O-N 2.56Å
392R25.3Very low61.4Low243 Ų24385.2 Ų85.292%0.91743%0.427SS*.  trans-62.9117.4153.7-80.5-176.1174.8-175.6-1.4105.8G390G390-R392 PolarHBondContact O-N 2.73Å
393I33.5Very low58.2Low200 Ų20092.8 Ų92.8100%1.02647%0.466SS*.  trans-60.40159.9-56.8176.4000107.5T391T391-I393 PolarHBondContact O-N 2.56Å

Retrieved 393 of 393 residues in 866.3 ms (Link to these results)

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