A0A087YIQ3_POEFO Loading...

Globoside alpha-1,3-N-acetylgalactosaminyltransferase 1 (FORS blood group)

AlphaFold DB , UniProt , Accession A0A087YIQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 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
1M57.9Low76.8Confident218 Ų218123.3 Ų123.3100%1.07463%0.631SS**  0120.60-154.1162.771.900107.6L3 V6M1-L3 PolarHBondContact O-N 3.37Å; M1-V6 HydrophobicContact CE-CG2 4.14Å
2N74.8Confident77.3Confident113 Ų113120.7 Ų120.760%0.60462%0.618SS**  trans-72.4117.5-164.4-163.2-21000110.6K4 F5 V6N2-K4 PolarHBondContact O-N 3.44Å; N2-K4 VanDerWaalsContact O-N 3.14Å; N2-F5 HydrophobicContact CB-CB 4.17Å; N2-F5 WeakPolarHBondContact O-CA 2.96Å; N2-F5 VanDerWaalsContact O-CB 3.23Å; N2-F5 WeakPolarHBondContact O-CB 3.42Å; N2-F5 PolarHBondContact O-N 3.02Å; N2-V6 PolarHBondContact O-N 3.36Å
3L72.4Confident78Confident148 Ų148118.5 Ų118.578%0.77561%0.614SS**Hα-helixtrans-58.1-30.8-173.7-163.370.3000112.4M1 F5 V6 A7M1-L3 PolarHBondContact O-N 3.37Å; L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 3.27Å; L3-V6 PolarHBondContact O-N 2.73Å; L3-A7 PolarHBondContact O-N 3.24Å; L3-A7 VanDerWaalsContact O-N 3.11Å
4K71.3Confident78.5Confident167 Ų167116.4 Ų116.473%0.72661%0.608SS**Hα-helixtrans-65.6-34.8173.4-66.7-174177.1-177.10112.6N2 V8N2-K4 PolarHBondContact O-N 3.44Å; N2-K4 VanDerWaalsContact O-N 3.14Å; K4-V8 VanDerWaalsContact O-CG2 3.3Å; K4-V8 WeakPolarHBondContact O-CG2 3.48Å; K4-V8 PolarHBondContact O-N 2.83Å; K4-V8 VanDerWaalsContact O-N 3.11Å
5F79.7Confident78.9Confident152 Ų152112.9 Ų112.967%0.66759%0.594SS**Hα-helixtrans-70.6-38.6178.6-160.5-94000111.3N2 L3 V8 L9N2-F5 HydrophobicContact CB-CB 4.17Å; N2-F5 WeakPolarHBondContact O-CA 2.96Å; N2-F5 VanDerWaalsContact O-CB 3.23Å; N2-F5 WeakPolarHBondContact O-CB 3.42Å; N2-F5 PolarHBondContact O-N 3.02Å; L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 3.27Å; F5-V8 PolarHBondContact O-N 3.08Å; F5-L9 WeakPolarHBondContact O-CB 3.5Å; F5-L9 PolarHBondContact O-N 3.3Å
6V79.9Confident79.1Confident51 Ų51112.9 Ų112.931%0.30959%0.594SS.*Hα-helixtrans-66.1-41.2175.9179.60000111.2M1 N2 L3 L9 L10M1-V6 HydrophobicContact CE-CG2 4.14Å; N2-V6 PolarHBondContact O-N 3.36Å; L3-V6 PolarHBondContact O-N 2.73Å; V6-L9 PolarHBondContact O-N 3.13Å; V6-L10 HydrophobicContact CG1-CD1 4.02Å; V6-L10 PolarHBondContact O-N 3.28Å
7A79.5Confident79Confident60 Ų60108.2 Ų108.250%0.49658%0.579SS.*Hα-helixtrans-65.2-41.3177.500000112.9L3 L10 F11L3-A7 PolarHBondContact O-N 3.24Å; L3-A7 VanDerWaalsContact O-N 3.11Å; A7-L10 PolarHBondContact O-N 3.41Å; A7-F11 WeakPolarHBondContact O-CB 2.88Å; A7-F11 PolarHBondContact O-N 3.42Å
8V82.3Confident78.9Confident88 Ų88106.1 Ų106.153%0.53357%0.57SS.*Hα-helixtrans-65.4-40.2176.2170.80000111.2K4 F5 F11 L12K4-V8 VanDerWaalsContact O-CG2 3.3Å; K4-V8 WeakPolarHBondContact O-CG2 3.48Å; K4-V8 PolarHBondContact O-N 2.83Å; K4-V8 VanDerWaalsContact O-N 3.11Å; F5-V8 PolarHBondContact O-N 3.08Å; V8-F11 PolarHBondContact O-N 3.39Å; V8-L12 HydrophobicContact CG1-CD1 4.1Å; V8-L12 PolarHBondContact O-N 3.15Å
9L83.3Confident78.7Confident103 Ų103105.5 Ų105.554%0.53957%0.565SS.*Hα-helixtrans-64.9-44.2177.8-165.973.7000111.7F5 V6 F11 L12 V13F5-L9 WeakPolarHBondContact O-CB 3.5Å; F5-L9 PolarHBondContact O-N 3.3Å; V6-L9 PolarHBondContact O-N 3.13Å; L9-F11 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.17Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.47Å; L9-V13 PolarHBondContact O-N 3.05Å
10L79.6Confident78.4Confident109 Ų109106.6 Ų106.657%0.57157%0.565SS**Hα-helixtrans-61-43175.2-92.9151.9000112V6 A7 V13 V14V6-L10 HydrophobicContact CG1-CD1 4.02Å; V6-L10 PolarHBondContact O-N 3.28Å; A7-L10 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 3.07Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.14Å
11F83.9Confident78.2Confident147 Ų147107 Ų10765%0.64557%0.566SS**Hα-helixtrans-62.7-43.8177.2-176-100.3000112.1A7 V8 L9 V13 V14 V15A7-F11 WeakPolarHBondContact O-CB 2.88Å; A7-F11 PolarHBondContact O-N 3.42Å; V8-F11 PolarHBondContact O-N 3.39Å; L9-F11 PolarHBondContact O-N 2.97Å; F11-V13 PolarHBondContact O-N 3.44Å; F11-V14 PolarHBondContact O-N 3.33Å; F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 3.76Å; F11-V15 HydrophobicContact CE2-CG2 4.3Å; F11-V15 HydrophobicContact CZ-CG2 3.84Å; F11-V15 WeakPolarHBondContact O-CG2 3.36Å; F11-V15 PolarHBondContact O-N 2.89Å
12L83.1Confident78.7Confident92 Ų92104.6 Ų104.648%0.48255%0.546SS..Hα-helixtrans-60.7-42.4175.3-99.9149.3000112.4V8 L9 V14 V15 L16V8-L12 HydrophobicContact CG1-CD1 4.1Å; V8-L12 PolarHBondContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.17Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.31Å; L12-V15 PolarHBondContact O-N 3.03Å; L12-L16 WeakPolarHBondContact O-CB 3.24Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.48Å
13V86.3Confident78.2Confident93 Ų93102.4 Ų102.456%0.56453%0.534SS*.Hα-helixtrans-63.6-40.9177.3171.40000111.3L9 L10 F11 G17L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.47Å; L9-V13 PolarHBondContact O-N 3.05Å; L10-V13 PolarHBondContact O-N 3.07Å; F11-V13 PolarHBondContact O-N 3.44Å; V13-G17 PolarHBondContact O-N 2.81Å
14V85.3Confident77.4Confident88 Ų88100.2 Ų100.253%0.53352%0.518SS..Hα-helixtrans-66.6-45.5177.2173.50000111.1L10 F11 L12 L16 G17 V18L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.14Å; F11-V14 PolarHBondContact O-N 3.33Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.31Å; V14-L16 PolarHBondContact O-N 2.7Å; V14-G17 PolarHBondContact O-N 2.81Å; V14-V18 HydrophobicContact CG1-CG2 4.39Å; V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.15Å
15V84.8Confident76.6Confident65 Ų6596.1 Ų96.139%0.39451%0.509SS..Hα-helixtrans-62.8-43.4178.51720000111.2F11 L12 V18 M19F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 3.76Å; F11-V15 HydrophobicContact CE2-CG2 4.3Å; F11-V15 HydrophobicContact CZ-CG2 3.84Å; F11-V15 WeakPolarHBondContact O-CG2 3.36Å; F11-V15 PolarHBondContact O-N 2.89Å; L12-V15 PolarHBondContact O-N 3.03Å; V15-V18 PolarHBondContact O-N 3.32Å; V15-M19 WeakPolarHBondContact O-CB 3.43Å; V15-M19 WeakPolarHBondContact O-CG 3.22Å; V15-M19 PolarHBondContact O-N 3.36Å
16L81.1Confident75.4Confident112 Ų11293.8 Ų93.859%0.58650%0.502SS*.Hα-helixtrans-65.7-38.6175.9-72169.7000111.9L12 V14 M19 F20L12-L16 WeakPolarHBondContact O-CB 3.24Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.48Å; V14-L16 PolarHBondContact O-N 2.7Å; L16-M19 PolarHBondContact O-N 2.91Å; L16-F20 VanDerWaalsContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CB 3.44Å; L16-F20 PolarHBondContact O-N 3.39Å
17G78.7Confident73.8Confident34 Ų3497.8 Ų97.835%0.35151%0.513SS..Hα-helixtrans-64.4-43.5175.200000112.8V13 V14 F20 I21V13-G17 PolarHBondContact O-N 2.81Å; V14-G17 PolarHBondContact O-N 2.81Å; G17-F20 PolarHBondContact O-N 3.09Å; G17-I21 VanDerWaalsContact O-CG1 3.3Å; G17-I21 WeakPolarHBondContact O-CG1 3.22Å; G17-I21 PolarHBondContact O-N 3.22Å
18V77.3Confident72.1Confident69 Ų69103.5 Ų103.542%0.41852%0.521SS..Hα-helixtrans-66.5-45.4175.8174.40000110.6V14 V15 F20 I21 Y22V14-V18 HydrophobicContact CG1-CG2 4.39Å; V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.15Å; V15-V18 PolarHBondContact O-N 3.32Å; V18-F20 VanDerWaalsContact C-N 3.29Å; V18-F20 PolarHBondContact O-N 3.41Å; V18-I21 PolarHBondContact O-N 2.94Å; V18-Y22 HydrophobicContact CG1-CD2 3.83Å; V18-Y22 HydrophobicContact CG1-CE2 3.97Å; V18-Y22 WeakPolarHBondContact O-CD2 3.44Å; V18-Y22 PolarHBondContact O-N 3.11Å
19M73.8Confident70.3Confident95 Ų95106.4 Ų106.447%0.46853%0.527SS..Hα-helixtrans-58-42.3173.7-81.3-9872.300111.6V15 L16 I21 Y22 L23V15-M19 WeakPolarHBondContact O-CB 3.43Å; V15-M19 WeakPolarHBondContact O-CG 3.22Å; V15-M19 PolarHBondContact O-N 3.36Å; L16-M19 PolarHBondContact O-N 2.91Å; M19-I21 PolarHBondContact O-N 3.28Å; M19-Y22 PolarHBondContact O-N 3.28Å; M19-L23 HydrophobicContact CB-CD1 4.34Å; M19-L23 HydrophobicContact CE-CD1 4.18Å; M19-L23 HydrophobicContact CE-CG 4.24Å; M19-L23 WeakPolarHBondContact O-CB 3.47Å; M19-L23 WeakPolarHBondContact O-CD1 3.47Å; M19-L23 WeakPolarHBondContact O-CG 3.45Å; M19-L23 PolarHBondContact O-N 2.66Å; M19-L23 HydrophobicContact SD-CD1 4.38Å
20F72.8Confident68Low128 Ų128109.2 Ų109.256%0.56153%0.531SS*.Hα-helixtrans-63.6-39.8177.2-172.3-101.5000112.1L16 G17 V18 K24L16-F20 VanDerWaalsContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CB 3.44Å; L16-F20 PolarHBondContact O-N 3.39Å; G17-F20 PolarHBondContact O-N 3.09Å; V18-F20 VanDerWaalsContact C-N 3.29Å; V18-F20 PolarHBondContact O-N 3.41Å; F20-K24 HydrophobicContact CD1-CD 4.36Å; F20-K24 HydrophobicContact CE1-CD 3.78Å; F20-K24 HydrophobicContact CE1-CG 4.25Å; F20-K24 HydrophobicContact CZ-CD 4.26Å; F20-K24 HydrophobicContact CZ-CG 4.36Å; F20-K24 VanDerWaalsContact O-CB 3.28Å; F20-K24 WeakPolarHBondContact O-CB 3.41Å; F20-K24 PolarHBondContact O-N 3.49Å
21I73.9Confident66.1Low116 Ų116110.3 Ų110.360%0.59553%0.533SS*.Hα-helixtrans-65.6-39.1176.4-68.5165000111.7G17 V18 M19 P25G17-I21 VanDerWaalsContact O-CG1 3.3Å; G17-I21 WeakPolarHBondContact O-CG1 3.22Å; G17-I21 PolarHBondContact O-N 3.22Å; V18-I21 PolarHBondContact O-N 2.94Å; M19-I21 PolarHBondContact O-N 3.28Å; I21-P25 WeakPolarHBondContact O-CD 3.41Å
22Y69.5Low64Low167 Ų167105.5 Ų105.566%0.65552%0.524SS*.Hα-helixtrans-79-29.1178.8-85.7-84.4000113.7V18 M19 P25V18-Y22 HydrophobicContact CG1-CD2 3.83Å; V18-Y22 HydrophobicContact CG1-CE2 3.97Å; V18-Y22 WeakPolarHBondContact O-CD2 3.44Å; V18-Y22 PolarHBondContact O-N 3.11Å; M19-Y22 PolarHBondContact O-N 3.28Å; Y22-P25 WeakPolarHBondContact O-CD 3.47Å
23L63.4Low61.9Low67 Ų67105.8 Ų105.835%0.35153%0.526SS..Hα-helixtrans-85.6-25.8178-68.4167.2000112.4M19 I26 Y27M19-L23 HydrophobicContact CB-CD1 4.34Å; M19-L23 HydrophobicContact CE-CD1 4.18Å; M19-L23 HydrophobicContact CE-CG 4.24Å; M19-L23 WeakPolarHBondContact O-CB 3.47Å; M19-L23 WeakPolarHBondContact O-CD1 3.47Å; M19-L23 WeakPolarHBondContact O-CG 3.45Å; M19-L23 PolarHBondContact O-N 2.66Å; M19-L23 HydrophobicContact SD-CD1 4.38Å; L23-I26 HydrophobicContact CD2-CD1 4.31Å; L23-I26 WeakPolarHBondContact O-CA 3.37Å; L23-I26 WeakPolarHBondContact O-CB 3.32Å; L23-I26 PolarHBondContact O-N 3.17Å; L23-Y27 HydrophobicContact CB-CD2 4.17Å; L23-Y27 HydrophobicContact CB-CE2 4.33Å; L23-Y27 WeakPolarHBondContact O-CD2 3.07Å; L23-Y27 PolarHBondContact O-N 3.25Å
24K55.8Low59.4Low102 Ų102105.1 Ų105.144%0.44352%0.524SS..Hα-helixtrans-54.3-43.9178.7-131.2179.7177-179.90114.2F20 I26 Y27 R28F20-K24 HydrophobicContact CD1-CD 4.36Å; F20-K24 HydrophobicContact CE1-CD 3.78Å; F20-K24 HydrophobicContact CE1-CG 4.25Å; F20-K24 HydrophobicContact CZ-CD 4.26Å; F20-K24 HydrophobicContact CZ-CG 4.36Å; F20-K24 VanDerWaalsContact O-CB 3.28Å; F20-K24 WeakPolarHBondContact O-CB 3.41Å; F20-K24 PolarHBondContact O-N 3.49Å; K24-I26 VanDerWaalsContact C-N 3.31Å; K24-I26 PolarHBondContact O-N 2.92Å; K24-Y27 PolarHBondContact O-N 3.01Å; K24-R28 WeakPolarHBondContact O-CB 3.31Å; K24-R28 PolarHBondContact O-N 3.43Å
25P54.5Low56.8Low80 Ų80107.1 Ų107.152%0.51953%0.532SS..Hα-helixtrans-64-36.6175.3-21.232.2000112.2I21 Y22 F29I21-P25 WeakPolarHBondContact O-CD 3.41Å; Y22-P25 WeakPolarHBondContact O-CD 3.47Å; P25-F29 WeakPolarHBondContact O-CB 3.36Å; P25-F29 PolarHBondContact O-N 3.12Å
26I55.5Low54.4Low103 Ų103108.1 Ų108.153%0.52854%0.542SS..Hα-helixtrans-70.5-39.9179.6-60.6171.7000110.6L23 K24 R30L23-I26 HydrophobicContact CD2-CD1 4.31Å; L23-I26 WeakPolarHBondContact O-CA 3.37Å; L23-I26 WeakPolarHBondContact O-CB 3.32Å; L23-I26 PolarHBondContact O-N 3.17Å; K24-I26 VanDerWaalsContact C-N 3.31Å; K24-I26 PolarHBondContact O-N 2.92Å; I26-R30 WeakPolarHBondContact O-CB 3.24Å; I26-R30 PolarHBondContact O-N 3.11Å
27Y44.7Very low52Low136 Ų136107 Ų10753%0.53354%0.544SS..Hα-helixtrans-70.2-41.5174.2-86.2-86.4000112.6L23 K24 F29 R30 E31L23-Y27 HydrophobicContact CB-CD2 4.17Å; L23-Y27 HydrophobicContact CB-CE2 4.33Å; L23-Y27 WeakPolarHBondContact O-CD2 3.07Å; L23-Y27 PolarHBondContact O-N 3.25Å; K24-Y27 PolarHBondContact O-N 3.01Å; Y27-F29 VanDerWaalsContact C-N 3.32Å; Y27-F29 PolarHBondContact O-N 3.49Å; Y27-R30 PolarHBondContact O-N 2.63Å; Y27-E31 PolarHBondContact O-N 2.72Å
28R45.4Very low49.7Very low179 Ų179113.5 Ų113.568%0.67557%0.565SS**Hα-helixtrans-63.4-36.3172.5-85.1-171.1-179.3178.8-1112.8K24 R30 G32K24-R28 WeakPolarHBondContact O-CB 3.31Å; K24-R28 PolarHBondContact O-N 3.43Å; R28-R30 VanDerWaalsContact C-N 3.34Å; R28-G32 PolarHBondContact O-N 2.81Å
29F43.7Very low47.6Very low149 Ų149113.3 Ų113.365%0.65458%0.577SS**Hα-helixtrans-66.6-38174.3-172.6-102.6000111.4P25 Y27 L33P25-F29 WeakPolarHBondContact O-CB 3.36Å; P25-F29 PolarHBondContact O-N 3.12Å; Y27-F29 VanDerWaalsContact C-N 3.32Å; Y27-F29 PolarHBondContact O-N 3.49Å; F29-L33 HydrophobicContact CD1-CD1 3.63Å; F29-L33 HydrophobicContact CE1-CD1 3.4Å; F29-L33 HydrophobicContact CE1-CG 4.47Å; F29-L33 HydrophobicContact CG-CD1 4.48Å; F29-L33 HydrophobicContact CZ-CD1 4.07Å; F29-L33 WeakPolarHBondContact O-CG 3.45Å; F29-L33 PolarHBondContact O-N 2.88Å; F29-L33 VanDerWaalsContact O-N 3.09Å
30R35Very low46.1Very low163 Ų163120.2 Ų120.262%0.61560%0.598SS**Hα-helixtrans-74.3-36.8177.4-166.4176.7169.1-172.8-3.9113.2I26 Y27 R28 L33 C34I26-R30 WeakPolarHBondContact O-CB 3.24Å; I26-R30 PolarHBondContact O-N 3.11Å; Y27-R30 PolarHBondContact O-N 2.63Å; R28-R30 VanDerWaalsContact C-N 3.34Å; R30-L33 PolarHBondContact O-N 3.42Å; R30-C34 PolarHBondContact O-N 2.9Å
31E40.6Very low44.6Very low131 Ų131119.4 Ų119.461%0.61261%0.608SS**Hα-helixtrans-64.5-41.4170.8-80.9175.616600111Y27 L33 C34 D35Y27-E31 PolarHBondContact O-N 2.72Å; E31-L33 VanDerWaalsContact C-N 3.27Å; E31-L33 PolarHBondContact O-N 2.97Å; E31-C34 PolarHBondContact O-N 3.37Å; E31-D35 PolarHBondContact O-N 3.26Å
32G38.9Very low42.9Very low46 Ų46117.5 Ų117.547%0.47462%0.617SS.*Hα-helixtrans-65.4-24.9172.700000114.7R28 S36R28-G32 PolarHBondContact O-N 2.81Å; G32-S36 PolarHBondContact O-OG 3.1Å
33L39.3Very low41.3Very low98 Ų98117.2 Ų117.251%0.51363%0.627SS.*Hα-helixtrans-82.8-26.8172.9-82.1163.2000113.4F29 R30 E31 S36F29-L33 HydrophobicContact CD1-CD1 3.63Å; F29-L33 HydrophobicContact CE1-CD1 3.4Å; F29-L33 HydrophobicContact CE1-CG 4.47Å; F29-L33 HydrophobicContact CG-CD1 4.48Å; F29-L33 HydrophobicContact CZ-CD1 4.07Å; F29-L33 WeakPolarHBondContact O-CG 3.45Å; F29-L33 PolarHBondContact O-N 2.88Å; F29-L33 VanDerWaalsContact O-N 3.09Å; R30-L33 PolarHBondContact O-N 3.42Å; E31-L33 VanDerWaalsContact C-N 3.27Å; E31-L33 PolarHBondContact O-N 2.97Å; L33-S36 WeakPolarHBondContact CA-OG 3.12Å; L33-S36 PolarHBondContact O-OG 3.25Å; L33-S36 VanDerWaalsContact O-OG 3.12Å
34C33.4Very low40.2Very low79 Ų79117.6 Ų117.653%0.53465%0.647SS.*Hα-helixtrans-82.4-37.6174.8-84.30000111.8R30 E31 S36 S37R30-C34 PolarHBondContact O-N 2.9Å; E31-C34 PolarHBondContact O-N 3.37Å; C34-S36 PolarHBondContact O-N 3.44Å; C34-S37 PolarHBondContact O-N 3.4Å; C34-S37 VanDerWaalsContact O-N 3.14Å; C34-S37 PolarHBondContact O-OG 3.48Å
35D30.9Very low39.7Very low131 Ų131118 Ų11870%0.70165%0.65SS**THydrogen-bonded Turntrans-69.1-19.5175.9-108-6.6000113.4E31 S37E31-D35 PolarHBondContact O-N 3.26Å; D35-S37 VanDerWaalsContact C-N 3.27Å; D35-S37 PolarHBondContact O-N 2.67Å
36S33.7Very low39.9Very low86 Ų86122.2 Ų122.260%0.60167%0.668SS**THydrogen-bonded Turntrans-80.7-5.6174.239.60000113.6G32 L33 C34G32-S36 PolarHBondContact O-OG 3.1Å; L33-S36 WeakPolarHBondContact CA-OG 3.12Å; L33-S36 PolarHBondContact O-OG 3.25Å; L33-S36 VanDerWaalsContact O-OG 3.12Å; C34-S36 PolarHBondContact O-N 3.44Å
37S31.3Very low40.2Very low89 Ų89119.2 Ų119.262%0.62265%0.651SS**SBendtrans-100.1-12.8179.370.10000114.8C34 D35C34-S37 PolarHBondContact O-N 3.4Å; C34-S37 VanDerWaalsContact O-N 3.14Å; C34-S37 PolarHBondContact O-OG 3.48Å; D35-S37 VanDerWaalsContact C-N 3.27Å; D35-S37 PolarHBondContact O-N 2.67Å
38E31.1Very low41.1Very low169 Ų169121 Ų12179%0.7966%0.656SS**SBendtrans-105.615.4177.9-75-169.2156.400114.3
39G31.9Very low41.7Very low65 Ų65116.8 Ų116.867%0.6765%0.654SS**  trans-103.940.6172.900000114.3
40R42.2Very low42.5Very low240 Ų240110.7 Ų110.791%0.90663%0.63SS**  trans-115.451.6168.7-84.9-173.9175.2176.8-2.4111.1
41S42Very low43.8Very low112 Ų112108.2 Ų108.278%0.78363%0.629SS**SBendtrans-157.8118.8159.4620000109.6
42G37.8Very low44.9Very low75 Ų75108.3 Ų108.377%0.77363%0.633SS**  trans123.954.8166.400000115.6
43D36.3Very low46.8Very low161 Ų161112 Ų11286%0.86164%0.637SS**  trans-155.6133130.2-123.6-14.9000112H45D43-H45 PolarHBondContact O-N 3.19Å
44G41.2Very low49Very low75 Ų75112.3 Ų112.377%0.77364%0.639SS**  trans-75.772.3-170.300000114.2
45H44.8Very low51.6Low110 Ų110111.7 Ų111.751%0.50963%0.633SS.*  trans-118.594164.4-76.5-33.2000110.8D43 F47 K191D43-H45 PolarHBondContact O-N 3.19Å; H45-F47 VanDerWaalsContact C-N 3.28Å; H45-F47 HydrophobicContact CB-CE2 4.2Å; H45-F47 PolarHBondContact O-N 3.03Å; H45-K191 PolarHBondContact ND1-NZ 2.88Å
46L59Low54.2Low170 Ų170107.8 Ų107.889%0.8962%0.619SS**  trans-74.174.1-177.9-153.391.7000110.4R48L46-R48 PolarHBondContact O-N 3.38Å
47F61.8Low56.8Low39 Ų39106.3 Ų106.317%0.17161%0.606CS.*  trans-66.4132.1166.7-67.8-72.7000109H45 S49 I186 K191 L264 A265 H268H45-F47 VanDerWaalsContact C-N 3.28Å; H45-F47 HydrophobicContact CB-CE2 4.2Å; H45-F47 PolarHBondContact O-N 3.03Å; F47-S49 PolarHBondContact O-N 3.14Å; F47-I186 HydrophobicContact CE1-CG2 3.47Å; F47-I186 VanDerWaalsContact CE1-CG2 3.47Å; F47-I186 HydrophobicContact CZ-CG2 3.95Å; F47-K191 HydrophobicContact CD1-CG 3.86Å; F47-K191 HydrophobicContact CE1-CD 4.19Å; F47-K191 HydrophobicContact CE1-CG 3.48Å; F47-K191 VanDerWaalsContact CE1-CG 3.48Å; F47-K191 HydrophobicContact CZ-CG 4.33Å; F47-L264 HydrophobicContact CD1-CB 3.9Å; F47-L264 HydrophobicContact CE1-CB 4.23Å; F47-A265 HydrophobicContact CB-CB 3.83Å; F47-A265 HydrophobicContact CD2-CB 3.8Å; F47-A265 HydrophobicContact CG-CB 3.86Å; F47-H268 HydrophobicContact CZ-CB 4.08Å; F47-H268 AromaticContact CZ-CG 3.87Å
48R61.9Low59.6Low173 Ų173109.9 Ų109.965%0.65362%0.618SS**  trans-63.5109.6172.8-170.1-176.7-170-1647.9108.6L46 D195L46-R48 PolarHBondContact O-N 3.38Å; R48-D195 IonicContact CZ-OD1 3.25Å; R48-D195 IonicContact NH1-OD1 3.82Å; R48-D195 PolarHBondContact NH1-OD1 2.93Å
49S57.9Low62.5Low91 Ų91105 Ų10564%0.63661%0.613SS**PPolyproline II helixtrans-72.7128171.7-171.30000108.9F47 D51F47-S49 PolarHBondContact O-N 3.14Å; S49-D51 PolarHBondContact O-N 2.76Å
50P60.8Low65.4Low22 Ų22104.3 Ų104.314%0.14359%0.594CS.*PPolyproline II helixtrans-68125.9175.91.19.3000109.1L52 Y196 V263P50-L52 PolarHBondContact O-N 3.16Å; P50-L52 VanDerWaalsContact O-N 3.16Å; P50-Y196 WeakPolarHBondContact CB-OH 3.49Å; P50-Y196 HydrophobicContact CG-CE1 4.24Å; P50-V263 HydrophobicContact CG-CB 4.15Å; P50-V263 HydrophobicContact CG-CG1 3.21Å
51D62.2Low67.8Low111 Ų111101.9 Ų101.959%0.59459%0.59SS**PPolyproline II helixtrans-54.7120.9171.2-177.6-2000109.8S49 H53 R102S49-D51 PolarHBondContact O-N 2.76Å; D51-H53 PolarHBondContact O-N 3.25Å; D51-H53 WeakPolarHBondContact OD1-CB 3.49Å; D51-H53 PolarHBondContact OD1-N 2.8Å; D51-R102 PolarHBondContact O-NH1 2.77Å; D51-R102 PolarHBondContact O-NH2 2.73Å
52L64.4Low70.2Confident132 Ų132101.3 Ų101.369%0.69157%0.571SS**  trans-74-3.1179-80.3138.8000112.7P50 L54P50-L52 PolarHBondContact O-N 3.16Å; P50-L52 VanDerWaalsContact O-N 3.16Å; L52-L54 PolarHBondContact O-N 3.47Å
53H79.3Confident72.8Confident123 Ų123102 Ų10257%0.56956%0.562SS**  trans-72.996.6-174.8-169.6-93.1000113.7D51 V55 R102D51-H53 PolarHBondContact O-N 3.25Å; D51-H53 WeakPolarHBondContact OD1-CB 3.49Å; D51-H53 PolarHBondContact OD1-N 2.8Å; H53-V55 WeakPolarHBondContact CE1-CG2 3.4Å; H53-V55 WeakPolarHBondContact ND1-CG2 3.48Å; H53-V55 PolarHBondContact O-N 3.31Å; H53-R102 PolarHBondContact O-NH2 2.69Å
54L84.9Confident75.6Confident106 Ų106103.1 Ų103.156%0.55556%0.562SS**  trans-75.9111.8-178.8-59.7176.5000111.3L52 I98L52-L54 PolarHBondContact O-N 3.47Å; L54-I98 HydrophobicContact CB-CG2 4.33Å; L54-I98 HydrophobicContact CD2-CG2 3.88Å
55V87.8Confident78.1Confident66 Ų66104.2 Ų104.240%0.456%0.555SS.*  trans-113.4109.1178.8-172.10000110.7H53H53-V55 WeakPolarHBondContact CE1-CG2 3.4Å; H53-V55 WeakPolarHBondContact ND1-CG2 3.48Å; H53-V55 PolarHBondContact O-N 3.31Å
56A85.3Confident80.5Confident49 Ų49101.8 Ų101.841%0.40555%0.551SS.*PPolyproline II helixtrans-65.5159.6175.100000112.3L94 K101A56-L94 HydrophobicContact CB-CD1 4.1Å; A56-K101 PolarHBondContact O-NZ 3.35Å
57T88.5Confident82.2Confident55 Ų55101.9 Ų101.934%0.33755%0.551SS.*PPolyproline II helixtrans-77.8130.5171.7-61.70000110.6G59 L60 S97 K101T57-G59 PolarHBondContact O-N 3.01Å; T57-L60 WeakPolarHBondContact O-CB 3.38Å; T57-L60 PolarHBondContact O-N 3.09Å; T57-L60 VanDerWaalsContact O-N 3.16Å; T57-S97 WeakPolarHBondContact OG1-CB 3.07Å; T57-S97 PolarHBondContact OG1-O 2.89Å; T57-K101 VanDerWaalsContact OG1-CE 3.29Å; T57-K101 WeakPolarHBondContact OG1-CE 2.86Å
58N91.3Very high83.8Confident164 Ų164105.2 Ų105.288%0.87757%0.574SS**THydrogen-bonded Turntrans-60.7132.9-179.9-170.414000109.9L60N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.44Å
59G91Very high85.3Confident65 Ų65103.9 Ų103.967%0.6758%0.575SS**THydrogen-bonded Turntrans77.33.5-178.300000115.9T57 K61T57-G59 PolarHBondContact O-N 3.01Å; G59-K61 PolarHBondContact O-N 2.95Å
60L92.4Very high87Confident52 Ų52102.5 Ų102.527%0.27258%0.575SS.*  trans-65.2125.1175.2-176.368.8000110.6T57 N58 Y62 V93 L94 S97T57-L60 WeakPolarHBondContact O-CB 3.38Å; T57-L60 PolarHBondContact O-N 3.09Å; T57-L60 VanDerWaalsContact O-N 3.16Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.44Å; L60-Y62 HydrophobicContact CD2-CD1 4.33Å; L60-Y62 HydrophobicContact CG-CD1 4.33Å; L60-V93 HydrophobicContact CD1-CG1 4.14Å; L60-L94 HydrophobicContact CD2-CB 4.23Å; L60-L94 HydrophobicContact CD2-CD1 3.78Å; L60-S97 WeakPolarHBondContact CD2-OG 3.36Å
61K92.8Very high88.7Confident189 Ų189102.6 Ų102.682%0.82257%0.573SS**  trans-98.9129.1175.1-62.8-177-178.9-179.90110.2G59G59-K61 PolarHBondContact O-N 2.95Å
62Y92.3Very high90.3Very high99 Ų99104 Ų10439%0.38859%0.585SS.*  trans-147.6159.7173.359.6-85.4000109.4L60 Q64 P65 Y91 L94L60-Y62 HydrophobicContact CD2-CD1 4.33Å; L60-Y62 HydrophobicContact CG-CD1 4.33Å; Y62-Q64 PolarHBondContact O-N 2.87Å; Y62-P65 HydrophobicContact CE2-CG 4.16Å; Y62-Y91 HydrophobicContact CG-CD1 4.36Å; Y62-Y91 HydrophobicContact CG-CE1 4.34Å; Y62-L94 HydrophobicContact CD1-CD1 4.37Å; Y62-L94 HydrophobicContact CD2-CD2 4.32Å; Y62-L94 HydrophobicContact CE1-CD1 4Å; Y62-L94 HydrophobicContact CE1-CD2 4.21Å; Y62-L94 HydrophobicContact CE2-CD2 3.96Å
63P92.9Very high91.9Very high90 Ų90101.3 Ų101.358%0.58457%0.572SS**PPolyproline II helixtrans-56.2138.5178.8-25.535.3000112P65 Y91P63-P65 WeakPolarHBondContact O-CD 3.44Å; P63-Y91 HydrophobicContact CG-CE2 4.28Å
64Q95Very high92.7Very high185 Ų18596.8 Ų96.886%0.86455%0.552SS**PPolyproline II helixtrans-59124.4176.3-176.3179.712.300109.7Y62Y62-Q64 PolarHBondContact O-N 2.87Å
65P94.5Very high93.3Very high97 Ų9796.1 Ų96.163%0.6355%0.553SS**PPolyproline II helixtrans-61.6138.9174.7-22.233.3000111.1Y62 P63Y62-P65 HydrophobicContact CE2-CG 4.16Å; P63-P65 WeakPolarHBondContact O-CD 3.44Å
66S95.3Very high93.7Very high59 Ų5995.5 Ų95.541%0.41355%0.551SS.*PPolyproline II helixtrans-97.4133.2171.7-170.30000110.3T68 H69S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact OG-N 2.81Å; S66-T68 PolarHBondContact OG-OG1 3.45Å; S66-H69 PolarHBondContact OG-N 3.04Å; S66-H69 PolarHBondContact OG-ND1 3.22Å
67I94.7Very high94.3Very high173 Ų17396.6 Ų96.689%0.88755%0.553SS**SBendtrans-79-14.617258.4159.2000112.9
68T95.1Very high94.8Very high108 Ų10894.2 Ų94.266%0.66354%0.538SS*.SBendtrans-116.2-8-173.151.70000113.6S66S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact OG-N 2.81Å; S66-T68 PolarHBondContact OG-OG1 3.45Å
69H93.5Very high95.1Very high146 Ų14692 Ų9268%0.67653%0.533SS*.  trans-126.1136-179.2-56.783.1000110.9S66S66-H69 PolarHBondContact OG-N 3.04Å; S66-H69 PolarHBondContact OG-ND1 3.22Å
70G92.8Very high95.5Very high62 Ų6291.8 Ų91.864%0.63951%0.512SS*.SBendtrans-170.1-162.9179.300000111.2T72G70-T72 PolarHBondContact O-N 2.89Å
71R96.1Very high95.7Very high24 Ų2496.3 Ų96.39%0.09154%0.536CS..  trans-65125.9169.2-69.8-68.5-62.5-89.1-2.8109.3D73 V74 E87 T89 E324R71-D73 IonicContact CZ-OD1 2.81Å; R71-D73 IonicContact CZ-OD2 2.89Å; R71-D73 IonicContact NE-OD1 3.59Å; R71-D73 PolarHBondContact NE-OD1 2.78Å; R71-D73 IonicContact NE-OD2 2.75Å; R71-D73 IonicContact NH2-OD1 3.76Å; R71-D73 PolarHBondContact NH2-OD1 2.98Å; R71-D73 IonicContact NH2-OD2 3.99Å; R71-D73 PolarHBondContact NH2-OD2 3.49Å; R71-V74 HydrophobicContact CB-CG2 3.78Å; R71-V74 HydrophobicContact CG-CG2 4.21Å; R71-E87 PolarHBondContact NH1-O 2.82Å; R71-T89 HydrophobicContact CB-CG2 4.46Å; R71-T89 HydrophobicContact CG-CG2 3.77Å; R71-E324 PolarHBondContact NH2-O 2.85Å
72T96.3Very high96Very high140 Ų14087.6 Ų87.686%0.85950%0.498SS*.SBendtrans-108.3-10.1179.553.60000113.2G70G70-T72 PolarHBondContact O-N 2.89Å
73D97.1Very high96.3Very high76 Ų7685.7 Ų85.741%0.40650%0.499SS..SBendtrans-96.1-8.6-175.957.9-44.1000113.5R71 R326R71-D73 IonicContact CZ-OD1 2.81Å; R71-D73 IonicContact CZ-OD2 2.89Å; R71-D73 IonicContact NE-OD1 3.59Å; R71-D73 PolarHBondContact NE-OD1 2.78Å; R71-D73 IonicContact NE-OD2 2.75Å; R71-D73 IonicContact NH2-OD1 3.76Å; R71-D73 PolarHBondContact NH2-OD1 2.98Å; R71-D73 IonicContact NH2-OD2 3.99Å; R71-D73 PolarHBondContact NH2-OD2 3.49Å; D73-R326 IonicContact OD1-NH2 2.79Å
74V97.7Very high96.6Very high27 Ų2781.9 Ų81.916%0.16447%0.473CS..SBendtrans-143.7158.9-177.5-65.80000111.8R71 W86 E324R71-V74 HydrophobicContact CB-CG2 3.78Å; R71-V74 HydrophobicContact CG-CG2 4.21Å; V74-W86 HydrophobicContact CB-CD2 4.25Å; V74-W86 HydrophobicContact CB-CZ2 4.11Å; V74-W86 HydrophobicContact CG1-CD2 4.21Å; V74-W86 HydrophobicContact CG1-CE3 4.33Å; V74-W86 HydrophobicContact CG1-CH2 4.02Å; V74-W86 HydrophobicContact CG1-CZ2 3.9Å; V74-W86 HydrophobicContact CG1-CZ3 4.24Å; V74-W86 HydrophobicContact CG2-CB 4.49Å; V74-W86 HydrophobicContact CG2-CD2 3.98Å; V74-W86 HydrophobicContact CG2-CG 3.89Å; V74-E324 HydrophobicContact CG1-CB 3.6Å; V74-E324 HydrophobicContact CG1-CG 3.95Å
75V96.3Very high96.7Very high92 Ų9273.3 Ų73.356%0.55843%0.434SS*.  trans-76.5124.2168.9176.40000109.4V77 V84 W86V75-V77 WeakPolarHBondContact CG1-O 3.15Å; V75-V84 HydrophobicContact CG1-CG2 4.45Å; V75-V84 WeakPolarHBondContact O-CB 3.32Å; V75-W86 PolarHBondContact O-NE1 2.67Å
76S96.4Very high96.9Very high53 Ų5369.4 Ų69.437%0.37141%0.407SS..  trans-105.5-5.1178.5620000114.1V84S76-V84 PolarHBondContact O-N 3.41Å
77V98.2Very high97.1Very high73 Ų7369.8 Ų69.844%0.44240%0.402SS..BIsolated β-bridgetrans-147135.8177.664.70000110V75 A82V75-V77 WeakPolarHBondContact CG1-O 3.15Å; V77-A82 CarbonylContact C-O 3.56Å; V77-A82 WeakPolarHBondContact CA-O 3.39Å
78T98.6Very high97.2Very high4 Ų463.8 Ų63.83%0.02538%0.383CS..  trans-77.3165.2178.569.80000111.5W80 L81 A82 V84 F253 V308T78-W80 HydrophobicContact CG2-CD2 4.45Å; T78-W80 HydrophobicContact CG2-CH2 3.81Å; T78-W80 HydrophobicContact CG2-CZ2 3.61Å; T78-W80 HydrophobicContact CG2-CZ3 4.29Å; T78-W80 PolarHBondContact O-N 3.37Å; T78-W80 VanDerWaalsContact O-N 3.12Å; T78-W80 PolarHBondContact OG1-N 2.89Å; T78-W80 PolarHBondContact OG1-NE1 3Å; T78-L81 PolarHBondContact O-N 2.89Å; T78-A82 HydrophobicContact CG2-CB 4.22Å; T78-A82 PolarHBondContact N-O 3.33Å; T78-A82 WeakPolarHBondContact OG1-CB 3.44Å; T78-A82 PolarHBondContact OG1-N 3.24Å; T78-A82 PolarHBondContact OG1-O 3.25Å; T78-V84 HydrophobicContact CG2-CG2 3.69Å; T78-F253 HydrophobicContact CG2-CE2 3.97Å; T78-F253 HydrophobicContact CG2-CZ 4.48Å; T78-V308 HydrophobicContact CG2-CB 4.49Å; T78-V308 HydrophobicContact CG2-CG2 3.9Å
79P98.4Very high97.3Very high118 Ų11861.3 Ų61.377%0.76637%0.367SS*.THydrogen-bonded Turntrans-60.5-18.2174.2-26.236.4000115
80W98.3Very high97.5Very high61 Ų6156.1 Ų56.123%0.23134%0.343CS..THydrogen-bonded Turntrans-100.219.3174.56588.8000113.1T78 A82 D252 F253 K304 P305 V308T78-W80 HydrophobicContact CG2-CD2 4.45Å; T78-W80 HydrophobicContact CG2-CH2 3.81Å; T78-W80 HydrophobicContact CG2-CZ2 3.61Å; T78-W80 HydrophobicContact CG2-CZ3 4.29Å; T78-W80 PolarHBondContact O-N 3.37Å; T78-W80 VanDerWaalsContact O-N 3.12Å; T78-W80 PolarHBondContact OG1-N 2.89Å; T78-W80 PolarHBondContact OG1-NE1 3Å; W80-A82 VanDerWaalsContact C-N 3.31Å; W80-A82 PolarHBondContact O-N 3.11Å; W80-D252 HydrophobicContact CH2-CB 3.97Å; W80-D252 HydrophobicContact CZ3-CB 3.79Å; W80-D252 VanDerWaalsContact CZ3-CG 3.5Å; W80-F253 AromaticContact CH2-CD2 4Å; W80-F253 HydrophobicContact CH2-CD2 4Å; W80-F253 AromaticContact CH2-CE2 3.7Å; W80-F253 HydrophobicContact CH2-CE2 3.7Å; W80-F253 HydrophobicContact CZ3-CE2 4.23Å; W80-K304 HydrophobicContact CD2-CB 4.04Å; W80-K304 HydrophobicContact CD2-CD 4.26Å; W80-K304 HydrophobicContact CD2-CG 4.18Å; W80-K304 HydrophobicContact CE3-CD 4.26Å; W80-K304 HydrophobicContact CG-CB 3.96Å; W80-K304 HydrophobicContact CG-CG 4.19Å; W80-K304 HydrophobicContact CZ3-CD 4.49Å; W80-P305 PolarHBondContact NE1-O 3.5Å; W80-V308 HydrophobicContact CZ2-CG2 4.11Å
81L98.2Very high97.6Very high147 Ų14757.3 Ų57.377%0.7733%0.329SS*.SBendtrans68.718.3174.4-50.2177.1000115.7T78T78-L81 PolarHBondContact O-N 2.89Å
82A98.4Very high97.6Very high5 Ų558 Ų584%0.04134%0.336CS..  trans-81136.2169.500000110.8V77 T78 W80 P305 S306V77-A82 CarbonylContact C-O 3.56Å; V77-A82 WeakPolarHBondContact CA-O 3.39Å; T78-A82 HydrophobicContact CG2-CB 4.22Å; T78-A82 PolarHBondContact N-O 3.33Å; T78-A82 WeakPolarHBondContact OG1-CB 3.44Å; T78-A82 PolarHBondContact OG1-N 3.24Å; T78-A82 PolarHBondContact OG1-O 3.25Å; W80-A82 VanDerWaalsContact C-N 3.31Å; W80-A82 PolarHBondContact O-N 3.11Å; A82-P305 VanDerWaalsContact CB-O 3.25Å; A82-P305 WeakPolarHBondContact CB-O 3.47Å; A82-S306 WeakPolarHBondContact CB-O 3.46Å
83P98.3Very high97.6Very high60 Ų6055.1 Ų55.139%0.3932%0.318SS..BIsolated β-bridgetrans-65.5139.117427.2-34.7000111.3S306 V308P83-S306 WeakPolarHBondContact CD-O 3.32Å; P83-V308 PolarHBondContact O-N 2.85Å
84V98.8Very high97.5Very high9 Ų953 Ų536%0.05531%0.306CS..EExtended strand (participates in β ladder)trans-99.6112.9166.3-170.60000108.1V75 S76 T78 W86 V308V75-V84 HydrophobicContact CG1-CG2 4.45Å; V75-V84 WeakPolarHBondContact O-CB 3.32Å; S76-V84 PolarHBondContact O-N 3.41Å; T78-V84 HydrophobicContact CG2-CG2 3.69Å; V84-W86 VanDerWaalsContact CG1-NE1 3.33Å; V84-W86 PolarHBondContact O-N 2.74Å; V84-V308 CarbonylContact C-O 3.58Å; V84-V308 VanDerWaalsContact CA-O 3.23Å; V84-V308 WeakPolarHBondContact CA-O 3.45Å; V84-V308 HydrophobicContact CG1-CB 4.49Å; V84-V308 HydrophobicContact CG1-CG1 4.21Å; V84-V308 HydrophobicContact CG2-CB 4.27Å; V84-V308 HydrophobicContact CG2-CG1 4.5Å
85V98.8Very high97.4Very high6 Ų653.5 Ų53.54%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-82.9111.6-170.5-172.90000110.6F90 E213 K307 V308 L309 S310 Y313V85-F90 HydrophobicContact CG1-CD1 3.88Å; V85-F90 HydrophobicContact CG1-CE1 3.92Å; V85-E213 HydrophobicContact CG1-CB 4.28Å; V85-E213 HydrophobicContact CG1-CG 4.1Å; V85-K307 HydrophobicContact CG2-CD 3.93Å; V85-K307 HydrophobicContact CG2-CG 3.89Å; V85-V308 PolarHBondContact N-O 3.33Å; V85-L309 HydrophobicContact CB-CD2 3.86Å; V85-L309 HydrophobicContact CG2-CD2 3.68Å; V85-S310 WeakPolarHBondContact O-CB 3.38Å; V85-S310 PolarHBondContact O-N 3.47Å; V85-S310 VanDerWaalsContact O-N 3.11Å; V85-S310 PolarHBondContact O-OG 3.48Å; V85-Y313 HydrophobicContact CB-CE2 4.25Å; V85-Y313 HydrophobicContact CG1-CE2 3.86Å; V85-Y313 WeakPolarHBondContact CG1-OH 3.41Å
86W98.7Very high97.4Very high15 Ų1550.1 Ų50.16%0.05729%0.287CS..  trans-124.9157.1172.9-65.190.3000110.4V74 V75 V84 G88 T89 F90 P311 E312 E324 V325V74-W86 HydrophobicContact CB-CD2 4.25Å; V74-W86 HydrophobicContact CB-CZ2 4.11Å; V74-W86 HydrophobicContact CG1-CD2 4.21Å; V74-W86 HydrophobicContact CG1-CE3 4.33Å; V74-W86 HydrophobicContact CG1-CH2 4.02Å; V74-W86 HydrophobicContact CG1-CZ2 3.9Å; V74-W86 HydrophobicContact CG1-CZ3 4.24Å; V74-W86 HydrophobicContact CG2-CB 4.49Å; V74-W86 HydrophobicContact CG2-CD2 3.98Å; V74-W86 HydrophobicContact CG2-CG 3.89Å; V75-W86 PolarHBondContact O-NE1 2.67Å; V84-W86 VanDerWaalsContact CG1-NE1 3.33Å; V84-W86 PolarHBondContact O-N 2.74Å; W86-G88 PolarHBondContact O-N 3.43Å; W86-T89 HydrophobicContact CB-CG2 3.85Å; W86-T89 PolarHBondContact N-OG1 2.53Å; W86-T89 VanDerWaalsContact N-OG1 3.17Å; W86-T89 PolarHBondContact O-N 3.07Å; W86-T89 PolarHBondContact O-OG1 2.91Å; W86-F90 WeakPolarHBondContact O-CD1 3.24Å; W86-F90 WeakPolarHBondContact O-CE1 3.4Å; W86-P311 HydrophobicContact CH2-CG 4.34Å; W86-E312 HydrophobicContact CE3-CG 4.08Å; W86-E312 HydrophobicContact CZ3-CG 4.38Å; W86-E324 HydrophobicContact CH2-CG 4.38Å; W86-E324 HydrophobicContact CZ3-CG 4.36Å; W86-V325 HydrophobicContact CZ3-CG2 4.23Å
87E98.5Very high97.3Very high67 Ų6748.1 Ų48.131%0.31327%0.273SS..THydrogen-bonded Turntrans-56.3129.6169.6-175.556.5-129.900110.6R71 E312 R326 V327 R329R71-E87 PolarHBondContact NH1-O 2.82Å; E87-E312 WeakPolarHBondContact CB-OE1 3.37Å; E87-E312 PolarHBondContact N-OE1 3.35Å; E87-E312 PolarHBondContact N-OE2 2.78Å; E87-R326 HydrophobicContact CB-CB 4.09Å; E87-R326 HydrophobicContact CG-CB 4.2Å; E87-V327 HydrophobicContact CB-CG1 3.76Å; E87-V327 HydrophobicContact CG-CG1 4.06Å; E87-R329 IonicContact OE2-CZ 3.45Å; E87-R329 IonicContact OE2-NH1 3.32Å; E87-R329 IonicContact OE2-NH2 3.79Å; E87-R329 PolarHBondContact OE2-NH2 2.67Å
88G96.9Very high97.1Very high47 Ų4745.2 Ų45.249%0.48526%0.255SS..THydrogen-bonded Turntrans87.30.6-173.500000116W86W86-G88 PolarHBondContact O-N 3.43Å
89T97.6Very high96.8Very high55 Ų5546 Ų4634%0.33726%0.258SS..SBendtrans-98.5117571.20000113.8R71 W86R71-T89 HydrophobicContact CB-CG2 4.46Å; R71-T89 HydrophobicContact CG-CG2 3.77Å; W86-T89 HydrophobicContact CB-CG2 3.85Å; W86-T89 PolarHBondContact N-OG1 2.53Å; W86-T89 VanDerWaalsContact N-OG1 3.17Å; W86-T89 PolarHBondContact O-N 3.07Å; W86-T89 PolarHBondContact O-OG1 2.91Å
90F96.8Very high96.6Very high37 Ų3745.7 Ų45.716%0.16225%0.246CC..SBendtrans-146.9161.7-178.564.8-83.8000110.9V85 W86 P92 L95 E213V85-F90 HydrophobicContact CG1-CD1 3.88Å; V85-F90 HydrophobicContact CG1-CE1 3.92Å; W86-F90 WeakPolarHBondContact O-CD1 3.24Å; W86-F90 WeakPolarHBondContact O-CE1 3.4Å; F90-P92 HydrophobicContact CD2-CG 4.07Å; F90-P92 HydrophobicContact CE2-CB 4.44Å; F90-P92 HydrophobicContact CE2-CG 3.74Å; F90-L95 HydrophobicContact CB-CD1 4.04Å; F90-L95 HydrophobicContact CD2-CD1 4.25Å; F90-E213 HydrophobicContact CB-CB 4.3Å; F90-E213 HydrophobicContact CD1-CB 4.12Å; F90-E213 HydrophobicContact CD1-CG 4.33Å; F90-E213 HydrophobicContact CD2-CB 3.4Å; F90-E213 VanDerWaalsContact CD2-CB 3.4Å; F90-E213 HydrophobicContact CD2-CG 3.85Å; F90-E213 HydrophobicContact CE1-CB 4.29Å; F90-E213 HydrophobicContact CE1-CG 4Å; F90-E213 HydrophobicContact CE2-CB 3.57Å; F90-E213 HydrophobicContact CE2-CG 3.43Å; F90-E213 VanDerWaalsContact CE2-CG 3.43Å; F90-E213 HydrophobicContact CG-CB 3.68Å; F90-E213 HydrophobicContact CG-CG 4.27Å; F90-E213 HydrophobicContact CZ-CB 4.04Å; F90-E213 HydrophobicContact CZ-CG 3.54Å
91Y96.3Very high96.2Very high88 Ų8848.1 Ų48.135%0.34526%0.258SS..  trans-115.3105.1175-168.3-105.4000110.1Y62 P63 V93 L94 L95Y62-Y91 HydrophobicContact CG-CD1 4.36Å; Y62-Y91 HydrophobicContact CG-CE1 4.34Å; P63-Y91 HydrophobicContact CG-CE2 4.28Å; Y91-V93 HydrophobicContact CD1-CB 4.22Å; Y91-V93 HydrophobicContact CE1-CB 3.68Å; Y91-V93 HydrophobicContact CE1-CG1 4.49Å; Y91-V93 HydrophobicContact CE1-CG2 4.37Å; Y91-V93 PolarHBondContact O-N 3.43Å; Y91-L94 HydrophobicContact CD1-CB 3.61Å; Y91-L94 HydrophobicContact CE1-CB 4.46Å; Y91-L94 HydrophobicContact CG-CB 4.46Å; Y91-L94 PolarHBondContact O-N 3.44Å; Y91-L95 PolarHBondContact O-N 3.49Å
92P95.8Very high95.8Very high39 Ų3943.9 Ų43.925%0.25323%0.232SC..Hα-helixtrans-54.7-46.6-170.9-24.428.2000113.8F90 L94 L95 D96F90-P92 HydrophobicContact CD2-CG 4.07Å; F90-P92 HydrophobicContact CE2-CB 4.44Å; F90-P92 HydrophobicContact CE2-CG 3.74Å; P92-L94 VanDerWaalsContact C-N 3.33Å; P92-L94 PolarHBondContact O-N 2.49Å; P92-L95 PolarHBondContact O-N 3.34Å; P92-D96 WeakPolarHBondContact O-CB 3.16Å; P92-D96 PolarHBondContact O-N 2.91Å
93V95Very high95.5Very high79 Ų7948.4 Ų48.448%0.47926%0.255SS..Hα-helixtrans-65.2-36.3-175-1790000111.8L60 Y91 S97L60-V93 HydrophobicContact CD1-CG1 4.14Å; Y91-V93 HydrophobicContact CD1-CB 4.22Å; Y91-V93 HydrophobicContact CE1-CB 3.68Å; Y91-V93 HydrophobicContact CE1-CG1 4.49Å; Y91-V93 HydrophobicContact CE1-CG2 4.37Å; Y91-V93 PolarHBondContact O-N 3.43Å; V93-S97 WeakPolarHBondContact O-CB 3.26Å; V93-S97 PolarHBondContact O-N 3.47Å
94L95.5Very high95.4Very high30 Ų3045.9 Ų45.916%0.15724%0.238CC..Hα-helixtrans-66.7-49.9176.4171.963.2000110.5A56 L60 Y62 Y91 P92 S97 I98A56-L94 HydrophobicContact CB-CD1 4.1Å; L60-L94 HydrophobicContact CD2-CB 4.23Å; L60-L94 HydrophobicContact CD2-CD1 3.78Å; Y62-L94 HydrophobicContact CD1-CD1 4.37Å; Y62-L94 HydrophobicContact CD2-CD2 4.32Å; Y62-L94 HydrophobicContact CE1-CD1 4Å; Y62-L94 HydrophobicContact CE1-CD2 4.21Å; Y62-L94 HydrophobicContact CE2-CD2 3.96Å; Y91-L94 HydrophobicContact CD1-CB 3.61Å; Y91-L94 HydrophobicContact CE1-CB 4.46Å; Y91-L94 HydrophobicContact CG-CB 4.46Å; Y91-L94 PolarHBondContact O-N 3.44Å; P92-L94 VanDerWaalsContact C-N 3.33Å; P92-L94 PolarHBondContact O-N 2.49Å; L94-S97 PolarHBondContact O-N 3.48Å; L94-S97 PolarHBondContact O-OG 3.14Å; L94-I98 HydrophobicContact CD1-CD1 4.03Å; L94-I98 HydrophobicContact CD1-CG1 4.46Å; L94-I98 HydrophobicContact CG-CD1 4.06Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 3.08Å; L94-I98 VanDerWaalsContact O-N 3.15Å
95L95.7Very high95.3Very high38 Ų3846.1 Ų46.120%0.19924%0.24CC..Hα-helixtrans-61.7-45.9179.8-67.8177.5000111.3F90 Y91 P92 S97 I98 Y99 T212 E213F90-L95 HydrophobicContact CB-CD1 4.04Å; F90-L95 HydrophobicContact CD2-CD1 4.25Å; Y91-L95 PolarHBondContact O-N 3.49Å; P92-L95 PolarHBondContact O-N 3.34Å; L95-S97 VanDerWaalsContact C-N 3.29Å; L95-S97 PolarHBondContact O-N 2.84Å; L95-I98 WeakPolarHBondContact O-CB 3.25Å; L95-I98 PolarHBondContact O-N 3.17Å; L95-Y99 VanDerWaalsContact O-CD2 3.3Å; L95-Y99 WeakPolarHBondContact O-CD2 3.41Å; L95-Y99 PolarHBondContact O-N 3.03Å; L95-T212 VanDerWaalsContact CB-OG1 3.23Å; L95-T212 WeakPolarHBondContact CB-OG1 3.43Å; L95-E213 HydrophobicContact CD1-CB 3.76Å
96D95.9Very high95.3Very high22 Ų2245.8 Ų45.812%0.11824%0.238CC..Hα-helixtrans-57.6-44.9177.2-75.8-14.6000111.1P92 I98 Y99 Q100 F135 R209 T212P92-D96 WeakPolarHBondContact O-CB 3.16Å; P92-D96 PolarHBondContact O-N 2.91Å; D96-I98 PolarHBondContact O-N 3.1Å; D96-Y99 PolarHBondContact O-N 2.95Å; D96-Q100 VanDerWaalsContact O-CB 3.29Å; D96-Q100 WeakPolarHBondContact O-CB 3.27Å; D96-Q100 WeakPolarHBondContact O-CG 3.35Å; D96-Q100 PolarHBondContact O-N 3.35Å; D96-F135 HydrophobicContact CB-CE2 4.38Å; D96-F135 HydrophobicContact CB-CZ 4.22Å; D96-F135 WeakPolarHBondContact OD1-CE2 3.29Å; D96-R209 VanDerWaalsContact CG-NH2 3.3Å; D96-R209 IonicContact OD1-CZ 3.29Å; D96-R209 IonicContact OD1-NH1 3.61Å; D96-R209 IonicContact OD1-NH2 3.51Å; D96-R209 PolarHBondContact OD1-NH2 3.27Å; D96-R209 IonicContact OD2-CZ 2.63Å; D96-R209 IonicContact OD2-NH1 3.05Å; D96-R209 PolarHBondContact OD2-NH1 2.95Å; D96-R209 IonicContact OD2-NH2 3.86Å; D96-R209 PolarHBondContact OD2-NH2 2.93Å; D96-T212 WeakPolarHBondContact OD1-CG2 3.29Å; D96-T212 PolarHBondContact OD1-OG1 3.09Å
97S94.4Very high95.3Very high11 Ų1145.1 Ų45.18%0.07724%0.235CC..Hα-helixtrans-61.6-31179.184.90000113.3T57 L60 V93 L94 L95T57-S97 WeakPolarHBondContact OG1-CB 3.07Å; T57-S97 PolarHBondContact OG1-O 2.89Å; L60-S97 WeakPolarHBondContact CD2-OG 3.36Å; V93-S97 WeakPolarHBondContact O-CB 3.26Å; V93-S97 PolarHBondContact O-N 3.47Å; L94-S97 PolarHBondContact O-N 3.48Å; L94-S97 PolarHBondContact O-OG 3.14Å; L95-S97 VanDerWaalsContact C-N 3.29Å; L95-S97 PolarHBondContact O-N 2.84Å
98I93.5Very high95.3Very high12 Ų1242 Ų426%0.06222%0.221CC..Hα-helixtrans-73.7-47.6177.8-67.5162000109.7L54 L94 L95 D96L54-I98 HydrophobicContact CB-CG2 4.33Å; L54-I98 HydrophobicContact CD2-CG2 3.88Å; L94-I98 HydrophobicContact CD1-CD1 4.03Å; L94-I98 HydrophobicContact CD1-CG1 4.46Å; L94-I98 HydrophobicContact CG-CD1 4.06Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 3.08Å; L94-I98 VanDerWaalsContact O-N 3.15Å; L95-I98 WeakPolarHBondContact O-CB 3.25Å; L95-I98 PolarHBondContact O-N 3.17Å; D96-I98 PolarHBondContact O-N 3.1Å
99Y94.1Very high95.3Very high20 Ų2039.8 Ų39.88%0.07820%0.198CC..Hα-helixtrans-79.1-26.7-175.3-75.7-77.9000113.6L95 D96 K101 R102 N103 I104 T212 L215L95-Y99 VanDerWaalsContact O-CD2 3.3Å; L95-Y99 WeakPolarHBondContact O-CD2 3.41Å; L95-Y99 PolarHBondContact O-N 3.03Å; D96-Y99 PolarHBondContact O-N 2.95Å; Y99-K101 VanDerWaalsContact C-N 3.29Å; Y99-K101 PolarHBondContact O-N 3.4Å; Y99-R102 WeakPolarHBondContact O-CB 3.27Å; Y99-R102 PolarHBondContact O-N 3.07Å; Y99-N103 PolarHBondContact O-N 3.43Å; Y99-I104 HydrophobicContact CD1-CD1 3.94Å; Y99-I104 HydrophobicContact CD1-CG2 4.18Å; Y99-I104 HydrophobicContact CG-CD1 4.23Å; Y99-T212 HydrophobicContact CD2-CG2 3.71Å; Y99-T212 HydrophobicContact CG-CG2 3.9Å; Y99-L215 HydrophobicContact CD1-CD1 3.73Å; Y99-L215 HydrophobicContact CD2-CD1 4.21Å; Y99-L215 HydrophobicContact CE1-CD1 3.62Å; Y99-L215 HydrophobicContact CE2-CD1 4.12Å; Y99-L215 HydrophobicContact CG-CD1 4.03Å
100Q92.9Very high95.3Very high111 Ų11137.1 Ų37.152%0.51918%0.182SC..Hα-helixtrans-60.3-40.2174.1-80.3173.4-5.500111.6D96 R102 N103 F135D96-Q100 VanDerWaalsContact O-CB 3.29Å; D96-Q100 WeakPolarHBondContact O-CB 3.27Å; D96-Q100 WeakPolarHBondContact O-CG 3.35Å; D96-Q100 PolarHBondContact O-N 3.35Å; Q100-R102 PolarHBondContact O-N 3.27Å; Q100-N103 PolarHBondContact O-N 2.86Å; Q100-F135 HydrophobicContact CG-CE1 3.94Å; Q100-F135 HydrophobicContact CG-CZ 3.85Å
101K90.6Very high95.2Very high113 Ų11336.4 Ų36.449%0.49118%0.179SC..THydrogen-bonded Turntrans-61.1-26.6175.1-71.5179169.1-170.10113.6A56 T57 Y99 N103A56-K101 PolarHBondContact O-NZ 3.35Å; T57-K101 VanDerWaalsContact OG1-CE 3.29Å; T57-K101 WeakPolarHBondContact OG1-CE 2.86Å; Y99-K101 VanDerWaalsContact C-N 3.29Å; Y99-K101 PolarHBondContact O-N 3.4Å; K101-N103 VanDerWaalsContact C-N 3.34Å
102R89.9Confident95.2Very high58 Ų5832.2 Ų32.222%0.21916%0.163CC..THydrogen-bonded Turntrans-85.2-10.5179.5-61.7177.5177.7-155.6-6.7112.9D51 H53 Y99 Q100 I104D51-R102 PolarHBondContact O-NH1 2.77Å; D51-R102 PolarHBondContact O-NH2 2.73Å; H53-R102 PolarHBondContact O-NH2 2.69Å; Y99-R102 WeakPolarHBondContact O-CB 3.27Å; Y99-R102 PolarHBondContact O-N 3.07Å; Q100-R102 PolarHBondContact O-N 3.27Å; R102-I104 HydrophobicContact CB-CG2 3.79Å; R102-I104 PolarHBondContact O-N 3.09Å
103N91.9Very high94.9Very high99 Ų9931 Ų3153%0.52915%0.154SC..THydrogen-bonded Turntrans53.142.5179.3-168.125.6000112.5Y99 Q100 K101 K136Y99-N103 PolarHBondContact O-N 3.43Å; Q100-N103 PolarHBondContact O-N 2.86Å; K101-N103 VanDerWaalsContact C-N 3.34Å; N103-K136 PolarHBondContact ND2-NZ 2.88Å; N103-K136 WeakPolarHBondContact OD1-CE 3.25Å; N103-K136 PolarHBondContact OD1-NZ 3.43Å
104I95Very high94.7Very high7 Ų728 Ų284%0.03614%0.14CC..  trans-64.7152.1-175.363.6167.7000112.1Y99 R102 V106 F135 D195 Y196 L215Y99-I104 HydrophobicContact CD1-CD1 3.94Å; Y99-I104 HydrophobicContact CD1-CG2 4.18Å; Y99-I104 HydrophobicContact CG-CD1 4.23Å; R102-I104 HydrophobicContact CB-CG2 3.79Å; R102-I104 PolarHBondContact O-N 3.09Å; I104-V106 HydrophobicContact CD1-CG2 4.18Å; I104-F135 HydrophobicContact CD1-CD1 3.96Å; I104-F135 HydrophobicContact CD1-CE1 4.15Å; I104-F135 HydrophobicContact CG1-CD1 3.61Å; I104-F135 HydrophobicContact CG1-CE1 4.01Å; I104-D195 VanDerWaalsContact CA-OD2 3.22Å; I104-D195 WeakPolarHBondContact CA-OD2 3.1Å; I104-D195 HydrophobicContact CB-CB 4.48Å; I104-Y196 HydrophobicContact CD1-CD2 4.44Å; I104-Y196 HydrophobicContact CD1-CE2 4.46Å; I104-Y196 HydrophobicContact CG2-CE2 4.34Å; I104-L215 HydrophobicContact CD1-CD1 3.5Å; I104-L215 VanDerWaalsContact CD1-CD1 3.5Å
105T97.4Very high94.5Very high14 Ų1431.7 Ų31.79%0.08616%0.155CC..EExtended strand (participates in β ladder)trans-119.6130.4170.1-55.30000110K136 K138 D193 V194 D195 Y196T105-K136 HydrophobicContact CG2-CB 4.02Å; T105-K136 WeakPolarHBondContact OG1-CD 3.5Å; T105-K138 HydrophobicContact CG2-CD 4.25Å; T105-K138 HydrophobicContact CG2-CG 4.01Å; T105-D193 WeakPolarHBondContact CB-O 3.33Å; T105-D193 WeakPolarHBondContact CG2-O 3.16Å; T105-V194 HydrophobicContact CG2-CG2 4.21Å; T105-D195 PolarHBondContact N-OD2 2.84Å; T105-D195 PolarHBondContact O-N 3.47Å; T105-Y196 PolarHBondContact O-N 2.85Å
106V98.4Very high94.4Very high0 Ų031.9 Ų31.90%015%0.153CC..EExtended strand (participates in β ladder)trans-112.6127.6-179.2-176.50000110I104 F131 F132 K136 V137 K138 Y196 F198 L215I104-V106 HydrophobicContact CD1-CG2 4.18Å; V106-F131 HydrophobicContact CG1-CE1 4.33Å; V106-F131 HydrophobicContact CG1-CZ 4.15Å; V106-F132 HydrophobicContact CG1-CD2 4.19Å; V106-F132 HydrophobicContact CG1-CE2 4.16Å; V106-F132 HydrophobicContact CG1-CG 4.5Å; V106-F132 HydrophobicContact CG1-CZ 4.46Å; V106-F132 HydrophobicContact CG2-CD1 3.83Å; V106-F132 HydrophobicContact CG2-CE1 3.92Å; V106-F132 HydrophobicContact CG2-CG 4.21Å; V106-F132 HydrophobicContact CG2-CZ 4.37Å; V106-K136 PolarHBondContact N-O 3.46Å; V106-V137 HydrophobicContact CB-CG2 4.48Å; V106-V137 CarbonylContact O-C 3.51Å; V106-V137 VanDerWaalsContact O-CA 3.22Å; V106-V137 WeakPolarHBondContact O-CA 3.32Å; V106-K138 PolarHBondContact O-N 2.92Å; V106-Y196 CarbonylContact C-O 3.56Å; V106-Y196 WeakPolarHBondContact CA-O 3.36Å; V106-F198 HydrophobicContact CG1-CD2 3.85Å; V106-F198 HydrophobicContact CG1-CE2 4.24Å; V106-L215 HydrophobicContact CG2-CD2 4.5Å
107A98.5Very high94.4Very high0 Ų031.8 Ų31.80%015%0.152CC..EExtended strand (participates in β ladder)trans-90.5143.3168.500000110.9K138 Y140 L190 V194 Y196 I197 F198A107-K138 CarbonylContact C-O 3.6Å; A107-K138 VanDerWaalsContact CA-O 3.25Å; A107-K138 WeakPolarHBondContact CA-O 3.46Å; A107-Y140 HydrophobicContact CB-CD2 4.2Å; A107-Y140 HydrophobicContact CB-CE2 4.09Å; A107-L190 HydrophobicContact CB-CD1 4.1Å; A107-V194 HydrophobicContact CB-CG1 3.67Å; A107-V194 HydrophobicContact CB-CG2 4.3Å; A107-Y196 PolarHBondContact N-O 3.47Å; A107-I197 HydrophobicContact CB-CB 4.24Å; A107-I197 HydrophobicContact CB-CG1 3.96Å; A107-I197 CarbonylContact O-C 3.47Å; A107-I197 WeakPolarHBondContact O-CA 3.34Å; A107-F198 PolarHBondContact O-N 3.43Å
108A98.6Very high94.4Very high2 Ų237.6 Ų37.62%0.01717%0.173CC..EExtended strand (participates in β ladder)trans-117.9131.8163.600000108.6F131 K138 V139 Y140 F198A108-F131 HydrophobicContact CB-CE1 3.82Å; A108-F131 HydrophobicContact CB-CZ 4.1Å; A108-K138 PolarHBondContact N-O 3.22Å; A108-V139 HydrophobicContact CB-CG1 4.49Å; A108-V139 HydrophobicContact CB-CG2 4.47Å; A108-V139 CarbonylContact O-C 3.44Å; A108-V139 WeakPolarHBondContact O-CA 3.45Å; A108-Y140 PolarHBondContact O-N 3.49Å; A108-F198 CarbonylContact C-O 3.58Å; A108-F198 VanDerWaalsContact CA-O 3.26Å; A108-F198 WeakPolarHBondContact CA-O 3.46Å
109T98.2Very high94.6Very high0 Ų038.2 Ų38.20%018%0.175CC..EExtended strand (participates in β ladder)trans-106.5137.8170.869.30000109.7F142 L185 I197 F198 C199 L200T109-F142 HydrophobicContact CG2-CE2 4.24Å; T109-L185 HydrophobicContact CG2-CD2 3.54Å; T109-I197 HydrophobicContact CG2-CD1 3.67Å; T109-I197 HydrophobicContact CG2-CG1 4.11Å; T109-F198 PolarHBondContact N-O 2.95Å; T109-C199 WeakPolarHBondContact OG1-CA 3.28Å; T109-C199 WeakPolarHBondContact OG1-CB 3.1Å; T109-C199 PolarHBondContact OG1-SG 2.7Å; T109-L200 PolarHBondContact O-N 3.32Å
110V97.3Very high94.8Very high0 Ų037.2 Ų37.20%017%0.171CC..EExtended strand (participates in β ladder)trans-144.3134.9179.863.10000110L120 F123 V139 Y140 V141 F142 V202V110-L120 HydrophobicContact CG1-CD1 4.19Å; V110-F123 HydrophobicContact CB-CE1 3.96Å; V110-F123 HydrophobicContact CB-CZ 4.02Å; V110-F123 HydrophobicContact CG1-CD1 4.47Å; V110-F123 HydrophobicContact CG1-CE1 3.96Å; V110-F123 HydrophobicContact CG2-CD1 4.21Å; V110-F123 HydrophobicContact CG2-CE1 3.97Å; V110-F123 HydrophobicContact CG2-CE2 4.27Å; V110-F123 HydrophobicContact CG2-CG 4.48Å; V110-F123 HydrophobicContact CG2-CZ 4Å; V110-V139 HydrophobicContact CG1-CG1 4.22Å; V110-Y140 PolarHBondContact N-O 2.71Å; V110-V141 HydrophobicContact CG1-CB 4.33Å; V110-V141 HydrophobicContact CG1-CG2 3.76Å; V110-F142 PolarHBondContact O-N 2.84Å; V110-V202 HydrophobicContact CG2-CB 3.33Å; V110-V202 HydrophobicContact CG2-CG2 3.53Å
111F95.3Very high95Very high22 Ų2237 Ų3710%0.09617%0.168CC..EExtended strand (participates in β ladder)trans-109.9116.7-176.8-67.6-98.8000110.2F142 R178 I181 I182 V202F111-F142 HydrophobicContact CD1-CB 3.57Å; F111-F142 HydrophobicContact CD1-CD2 4.31Å; F111-F142 HydrophobicContact CD1-CG 4.13Å; F111-F142 HydrophobicContact CE1-CB 3.77Å; F111-F142 AromaticContact CE1-CD2 3.91Å; F111-F142 HydrophobicContact CE1-CD2 3.91Å; F111-F142 AromaticContact CE1-CG 3.83Å; F111-F142 HydrophobicContact CE1-CG 3.83Å; F111-F142 HydrophobicContact CE2-CD2 4.21Å; F111-F142 HydrophobicContact CG-CB 4.21Å; F111-F142 AromaticContact CZ-CD2 3.86Å; F111-F142 HydrophobicContact CZ-CD2 3.86Å; F111-F142 HydrophobicContact CZ-CE2 4.32Å; F111-F142 HydrophobicContact CZ-CG 4.24Å; F111-R178 HydrophobicContact CD1-CG 3.89Å; F111-R178 HydrophobicContact CD2-CB 4.41Å; F111-R178 HydrophobicContact CD2-CG 3.81Å; F111-R178 HydrophobicContact CE1-CB 4.26Å; F111-R178 HydrophobicContact CE1-CG 3.9Å; F111-R178 HydrophobicContact CE2-CB 3.93Å; F111-R178 HydrophobicContact CE2-CG 3.83Å; F111-R178 HydrophobicContact CG-CG 3.86Å; F111-R178 HydrophobicContact CZ-CB 3.85Å; F111-R178 HydrophobicContact CZ-CG 3.88Å; F111-I181 HydrophobicContact CE1-CB 3.95Å; F111-I181 HydrophobicContact CE1-CD1 3.75Å; F111-I181 HydrophobicContact CE1-CG1 4.46Å; F111-I181 HydrophobicContact CE1-CG2 3.75Å; F111-I181 HydrophobicContact CZ-CB 4.02Å; F111-I181 HydrophobicContact CZ-CG2 3.8Å; F111-I182 HydrophobicContact CE2-CD1 4.34Å; F111-I182 HydrophobicContact CE2-CG1 4.33Å; F111-I182 HydrophobicContact CZ-CG1 4.28Å; F111-V202 WeakPolarHBondContact O-CB 3.43Å; F111-V202 WeakPolarHBondContact O-CG1 3.35Å
112A94.4Very high95.4Very high0 Ų034.4 Ų34.40%016%0.16CC..  trans-123.166.7-175.300000110.3I117 L120 V141 F142 T143 V202A112-I117 HydrophobicContact CB-CD1 3.98Å; A112-L120 HydrophobicContact CB-CB 4.38Å; A112-L120 HydrophobicContact CB-CD1 4.48Å; A112-L120 HydrophobicContact CB-CD2 4.17Å; A112-V141 HydrophobicContact CB-CG1 4.47Å; A112-F142 PolarHBondContact N-O 2.92Å; A112-T143 VanDerWaalsContact O-CB 3.24Å; A112-T143 WeakPolarHBondContact O-CB 3.38Å; A112-T143 PolarHBondContact O-OG1 3.05Å; A112-V202 HydrophobicContact CB-CG2 4.1Å
113V91.3Very high95.8Very high12 Ų1231.8 Ų31.87%0.07315%0.15CC..  trans-98137.9-174.9-178.50000111.4K115 Y116 D144 V165 N167 I174V113-K115 PolarHBondContact O-N 2.84Å; V113-Y116 WeakPolarHBondContact O-CB 3.42Å; V113-Y116 PolarHBondContact O-N 3.42Å; V113-D144 WeakPolarHBondContact CA-OD1 3.26Å; V113-D144 HydrophobicContact CG1-CB 4.33Å; V113-V165 HydrophobicContact CG2-CG2 3.94Å; V113-N167 HydrophobicContact CG1-CB 4.37Å; V113-I174 HydrophobicContact CB-CD1 4.35Å; V113-I174 HydrophobicContact CB-CG2 4.35Å; V113-I174 HydrophobicContact CG1-CD1 3.85Å; V113-I174 HydrophobicContact CG2-CG2 4.27Å
114G90.6Very high96.1Very high18 Ų1827.1 Ų27.119%0.18613%0.125CC..G310 helixtrans59.4-130.3-178.500000111.6Y116 I117 D144 Q145G114-Y116 PolarHBondContact O-N 3.16Å; G114-Y116 VanDerWaalsContact O-N 3.15Å; G114-I117 WeakPolarHBondContact O-CG2 3.35Å; G114-I117 PolarHBondContact O-N 3.11Å; G114-D144 PolarHBondContact N-OD1 3.46Å; G114-D144 PolarHBondContact N-OD2 2.95Å; G114-Q145 PolarHBondContact O-NE2 3.33Å
115K91.7Very high96.3Very high107 Ų10730.4 Ų30.447%0.46514%0.14SC..G310 helixtrans-69.4-12.7-175.7-65.6-179.7-175.41790114V113 I117 R118 E339 I340V113-K115 PolarHBondContact O-N 2.84Å; K115-I117 PolarHBondContact O-N 3.3Å; K115-R118 VanDerWaalsContact O-CG 3.22Å; K115-R118 WeakPolarHBondContact O-CG 3.27Å; K115-R118 PolarHBondContact O-N 3.45Å; K115-R118 PolarHBondContact O-NE 3.14Å; K115-E339 WeakPolarHBondContact CD-O 3.45Å; K115-E339 WeakPolarHBondContact CE-O 3.3Å; K115-E339 PolarHBondContact NZ-O 3.11Å; K115-I340 HydrophobicContact CB-CB 4.49Å
116Y92.8Very high96.3Very high42 Ų4230.8 Ų30.817%0.16514%0.142CC..G310 helixtrans-68.5-15.5177.5-78.4-99.8000113.2V113 G114 R118 F119 V202 D203 I340 R341V113-Y116 WeakPolarHBondContact O-CB 3.42Å; V113-Y116 PolarHBondContact O-N 3.42Å; G114-Y116 PolarHBondContact O-N 3.16Å; G114-Y116 VanDerWaalsContact O-N 3.15Å; Y116-R118 PolarHBondContact O-N 3.35Å; Y116-F119 AromaticContact CD1-CD2 3.88Å; Y116-F119 HydrophobicContact CD1-CD2 3.88Å; Y116-F119 AromaticContact CD1-CE2 3.88Å; Y116-F119 HydrophobicContact CD1-CE2 3.88Å; Y116-F119 HydrophobicContact CE1-CE2 4.32Å; Y116-F119 HydrophobicContact CG-CD2 4.38Å; Y116-F119 HydrophobicContact CG-CE2 4.37Å; Y116-F119 WeakPolarHBondContact O-CD2 3.46Å; Y116-F119 PolarHBondContact O-N 2.86Å; Y116-V202 HydrophobicContact CD1-CG1 3.86Å; Y116-V202 HydrophobicContact CG-CG1 4.37Å; Y116-D203 HydrophobicContact CD1-CB 4.12Å; Y116-D203 HydrophobicContact CE1-CB 4.07Å; Y116-I340 HydrophobicContact CE1-CD1 4.25Å; Y116-I340 HydrophobicContact CE2-CB 4.31Å; Y116-I340 HydrophobicContact CE2-CD1 4.32Å; Y116-I340 HydrophobicContact CE2-CG1 4.2Å; Y116-R341 PolarHBondContact OH-NE 3.34Å
117I95.3Very high96.3Very high19 Ų1930.9 Ų30.910%0.09714%0.143CC..G310 helixtrans-53.5-29.1173.8-164.363000112.9A112 G114 K115 F119 L120 E148 V149A112-I117 HydrophobicContact CB-CD1 3.98Å; G114-I117 WeakPolarHBondContact O-CG2 3.35Å; G114-I117 PolarHBondContact O-N 3.11Å; K115-I117 PolarHBondContact O-N 3.3Å; I117-F119 PolarHBondContact O-N 2.76Å; I117-L120 HydrophobicContact CD1-CB 4.44Å; I117-L120 HydrophobicContact CD1-CD2 3.71Å; I117-L120 VanDerWaalsContact O-CB 3.31Å; I117-L120 WeakPolarHBondContact O-CB 3.41Å; I117-L120 PolarHBondContact O-N 3.48Å; I117-L120 VanDerWaalsContact O-N 3.14Å; I117-E148 HydrophobicContact CG1-CB 3.96Å; I117-V149 HydrophobicContact CD1-CG2 4.46Å
118R95.6Very high96.3Very high134 Ų13432.4 Ų32.451%0.50615%0.15SC..G310 helixtrans-60.1-26.4178.274.8-175.856.2-166.4-10.7114.3K115 Y116K115-R118 VanDerWaalsContact O-CG 3.22Å; K115-R118 WeakPolarHBondContact O-CG 3.27Å; K115-R118 PolarHBondContact O-N 3.45Å; K115-R118 PolarHBondContact O-NE 3.14Å; Y116-R118 PolarHBondContact O-N 3.35Å
119F97Very high96.3Very high24 Ų2438.2 Ų38.211%0.10518%0.177CC..G310 helixtrans-86.1-17.7-178.1-56.1-64.2000112.6Y116 I117 K121 D122 F123 V202 D203 V333 K335 I340Y116-F119 AromaticContact CD1-CD2 3.88Å; Y116-F119 HydrophobicContact CD1-CD2 3.88Å; Y116-F119 AromaticContact CD1-CE2 3.88Å; Y116-F119 HydrophobicContact CD1-CE2 3.88Å; Y116-F119 HydrophobicContact CE1-CE2 4.32Å; Y116-F119 HydrophobicContact CG-CD2 4.38Å; Y116-F119 HydrophobicContact CG-CE2 4.37Å; Y116-F119 WeakPolarHBondContact O-CD2 3.46Å; Y116-F119 PolarHBondContact O-N 2.86Å; I117-F119 PolarHBondContact O-N 2.76Å; F119-K121 VanDerWaalsContact C-N 3.3Å; F119-K121 PolarHBondContact O-N 2.88Å; F119-D122 PolarHBondContact O-N 2.97Å; F119-F123 PolarHBondContact O-N 3.48Å; F119-F123 VanDerWaalsContact O-N 3.11Å; F119-V202 HydrophobicContact CB-CG1 4.47Å; F119-V202 HydrophobicContact CB-CG2 4.27Å; F119-V202 VanDerWaalsContact CB-O 3.24Å; F119-V202 WeakPolarHBondContact CB-O 3.43Å; F119-D203 HydrophobicContact CD2-CB 3.67Å; F119-D203 HydrophobicContact CE2-CB 3.88Å; F119-D203 HydrophobicContact CG-CB 4.03Å; F119-D203 HydrophobicContact CZ-CB 4.4Å; F119-V333 HydrophobicContact CD1-CG2 3.69Å; F119-V333 HydrophobicContact CE1-CG2 3.52Å; F119-V333 HydrophobicContact CZ-CG2 4.37Å; F119-K335 HydrophobicContact CZ-CB 4.06Å; F119-K335 HydrophobicContact CZ-CD 4.32Å; F119-I340 HydrophobicContact CZ-CG2 4.41Å
120L97.9Very high96.3Very high0 Ų040.3 Ų40.30%019%0.187CC..Hα-helixtrans-62.9-35.3-169.6-176.560.4000113V110 A112 I117 F123 L124 V141 V149 P150 V202V110-L120 HydrophobicContact CG1-CD1 4.19Å; A112-L120 HydrophobicContact CB-CB 4.38Å; A112-L120 HydrophobicContact CB-CD1 4.48Å; A112-L120 HydrophobicContact CB-CD2 4.17Å; I117-L120 HydrophobicContact CD1-CB 4.44Å; I117-L120 HydrophobicContact CD1-CD2 3.71Å; I117-L120 VanDerWaalsContact O-CB 3.31Å; I117-L120 WeakPolarHBondContact O-CB 3.41Å; I117-L120 PolarHBondContact O-N 3.48Å; I117-L120 VanDerWaalsContact O-N 3.14Å; L120-F123 HydrophobicContact CD1-CD1 4.48Å; L120-F123 PolarHBondContact O-N 3.38Å; L120-L124 HydrophobicContact CD1-CD1 3.92Å; L120-L124 HydrophobicContact CD1-CD2 4.35Å; L120-L124 HydrophobicContact CD1-CG 3.86Å; L120-L124 HydrophobicContact CD2-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD1 3.82Å; L120-L124 HydrophobicContact CG-CG 4.19Å; L120-L124 WeakPolarHBondContact O-CB 3.37Å; L120-L124 VanDerWaalsContact O-CG 3.24Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.18Å; L120-V141 HydrophobicContact CD1-CG1 4.12Å; L120-V141 HydrophobicContact CD1-CG2 3.97Å; L120-V141 HydrophobicContact CD2-CG1 3.58Å; L120-V141 HydrophobicContact CD2-CG2 4.39Å; L120-V149 HydrophobicContact CD2-CB 4.43Å; L120-V149 HydrophobicContact CD2-CG1 4.06Å; L120-V149 HydrophobicContact CD2-CG2 4.15Å; L120-P150 HydrophobicContact CD2-CG 4.47Å; L120-P150 HydrophobicContact CG-CG 4.24Å; L120-V202 HydrophobicContact CB-CG2 4.1Å; L120-V202 HydrophobicContact CD1-CG2 3.98Å
121K97.9Very high96.4Very high106 Ų10640.4 Ų40.446%0.46119%0.187SC..Hα-helixtrans-60.9-54.7179.9-175.6-179.5173.6-173.40111.2F119 F123 L124 E125 P150F119-K121 VanDerWaalsContact C-N 3.3Å; F119-K121 PolarHBondContact O-N 2.88Å; K121-F123 VanDerWaalsContact C-N 3.31Å; K121-F123 PolarHBondContact O-N 3.31Å; K121-L124 PolarHBondContact O-N 3.41Å; K121-E125 WeakPolarHBondContact CE-OE1 3.42Å; K121-E125 HydrophobicContact CG-CG 4.4Å; K121-E125 IonicContact NZ-OE1 3.85Å; K121-E125 WeakPolarHBondContact O-CB 3.19Å; K121-E125 WeakPolarHBondContact O-CG 2.93Å; K121-E125 PolarHBondContact O-N 2.83Å; K121-P150 HydrophobicContact CB-CB 4.05Å; K121-P150 HydrophobicContact CB-CG 3.86Å; K121-P150 HydrophobicContact CG-CB 4.17Å; K121-P150 HydrophobicContact CG-CG 4.4Å
122D97.8Very high96.6Very high59 Ų5939.4 Ų39.432%0.31618%0.183SC..Hα-helixtrans-65.2-38.4-178.2-67-18000111.3F119 T126 K205F119-D122 PolarHBondContact O-N 2.97Å; D122-T126 WeakPolarHBondContact O-CB 3.32Å; D122-T126 VanDerWaalsContact O-CG2 3.31Å; D122-T126 WeakPolarHBondContact O-CG2 3.5Å; D122-T126 PolarHBondContact O-N 3.38Å; D122-T126 PolarHBondContact O-OG1 3.29Å; D122-K205 HydrophobicContact CB-CD 3.99Å; D122-K205 VanDerWaalsContact CB-CE 3.43Å; D122-K205 HydrophobicContact CB-CG 4.1Å; D122-K205 VanDerWaalsContact CG-NZ 3.34Å; D122-K205 WeakPolarHBondContact OD2-CE 3.46Å; D122-K205 IonicContact OD2-NZ 3.65Å; D122-K205 PolarHBondContact OD2-NZ 2.86Å
123F98.6Very high96.7Very high2 Ų243.1 Ų43.11%0.00921%0.205CC..Hα-helixtrans-56.1-52.1173.4175.7-86.8000111.2V110 F119 L120 K121 T126 A127 L200 F206 F330V110-F123 HydrophobicContact CB-CE1 3.96Å; V110-F123 HydrophobicContact CB-CZ 4.02Å; V110-F123 HydrophobicContact CG1-CD1 4.47Å; V110-F123 HydrophobicContact CG1-CE1 3.96Å; V110-F123 HydrophobicContact CG2-CD1 4.21Å; V110-F123 HydrophobicContact CG2-CE1 3.97Å; V110-F123 HydrophobicContact CG2-CE2 4.27Å; V110-F123 HydrophobicContact CG2-CG 4.48Å; V110-F123 HydrophobicContact CG2-CZ 4Å; F119-F123 PolarHBondContact O-N 3.48Å; F119-F123 VanDerWaalsContact O-N 3.11Å; L120-F123 HydrophobicContact CD1-CD1 4.48Å; L120-F123 PolarHBondContact O-N 3.38Å; K121-F123 VanDerWaalsContact C-N 3.31Å; K121-F123 PolarHBondContact O-N 3.31Å; F123-T126 PolarHBondContact O-OG1 2.81Å; F123-A127 WeakPolarHBondContact O-CB 2.93Å; F123-A127 PolarHBondContact O-N 3.16Å; F123-L200 HydrophobicContact CE2-CB 4.07Å; F123-L200 HydrophobicContact CE2-CD1 4.3Å; F123-L200 HydrophobicContact CZ-CB 4.16Å; F123-L200 HydrophobicContact CZ-CD1 4.06Å; F123-F206 HydrophobicContact CD2-CE2 4.28Å; F123-F206 AromaticContact CE2-CE2 3.87Å; F123-F206 HydrophobicContact CE2-CE2 3.87Å; F123-F206 HydrophobicContact CE2-CZ 4.46Å; F123-F206 HydrophobicContact CZ-CE2 4.11Å; F123-F330 HydrophobicContact CD2-CE2 4.18Å; F123-F330 HydrophobicContact CD2-CZ 4.38Å; F123-F330 AromaticContact CE2-CE2 3.97Å; F123-F330 HydrophobicContact CE2-CE2 3.97Å; F123-F330 AromaticContact CE2-CZ 3.96Å; F123-F330 HydrophobicContact CE2-CZ 3.96Å
124L98.6Very high97Very high2 Ų245.6 Ų45.61%0.0123%0.233CC..Hα-helixtrans-67.6-44.5-177.5-70176.1000112.4L120 K121 T126 A127 E128 V139 P150 V152 L160L120-L124 HydrophobicContact CD1-CD1 3.92Å; L120-L124 HydrophobicContact CD1-CD2 4.35Å; L120-L124 HydrophobicContact CD1-CG 3.86Å; L120-L124 HydrophobicContact CD2-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD1 3.82Å; L120-L124 HydrophobicContact CG-CG 4.19Å; L120-L124 WeakPolarHBondContact O-CB 3.37Å; L120-L124 VanDerWaalsContact O-CG 3.24Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.18Å; K121-L124 PolarHBondContact O-N 3.41Å; L124-T126 VanDerWaalsContact C-N 3.33Å; L124-T126 PolarHBondContact O-N 2.92Å; L124-A127 PolarHBondContact O-N 2.94Å; L124-E128 PolarHBondContact O-N 3.2Å; L124-E128 VanDerWaalsContact O-N 3.09Å; L124-V139 HydrophobicContact CD2-CB 4.48Å; L124-V139 HydrophobicContact CD2-CG1 3.73Å; L124-P150 HydrophobicContact CD1-CG 4.17Å; L124-V152 HydrophobicContact CB-CB 4.32Å; L124-V152 HydrophobicContact CB-CG1 4.4Å; L124-V152 HydrophobicContact CB-CG2 3.78Å; L124-V152 HydrophobicContact CD1-CG2 4.1Å; L124-L160 HydrophobicContact CD1-CD1 4Å; L124-L160 HydrophobicContact CD1-CD2 3.98Å; L124-L160 HydrophobicContact CD2-CD1 3.6Å; L124-L160 HydrophobicContact CG-CD1 4.48Å
125E98.5Very high97.3Very high75 Ų7545.4 Ų45.435%0.3523%0.228SC..Hα-helixtrans-63.4-39.6180-73.6179.816700111.8K121 Q129 V152K121-E125 WeakPolarHBondContact CE-OE1 3.42Å; K121-E125 HydrophobicContact CG-CG 4.4Å; K121-E125 IonicContact NZ-OE1 3.85Å; K121-E125 WeakPolarHBondContact O-CB 3.19Å; K121-E125 WeakPolarHBondContact O-CG 2.93Å; K121-E125 PolarHBondContact O-N 2.83Å; E125-Q129 WeakPolarHBondContact O-CG 3.48Å; E125-Q129 PolarHBondContact O-NE2 3.31Å; E125-V152 HydrophobicContact CG-CG1 4.26Å; E125-V152 HydrophobicContact CG-CG2 4.14Å
126T98.6Very high97.7Very high22 Ų2244.1 Ų44.114%0.13522%0.222CC..Hα-helixtrans-76.9-31.5176.659.30000112.7D122 F123 L124 E128 Q129 H130 K205 F206D122-T126 WeakPolarHBondContact O-CB 3.32Å; D122-T126 VanDerWaalsContact O-CG2 3.31Å; D122-T126 WeakPolarHBondContact O-CG2 3.5Å; D122-T126 PolarHBondContact O-N 3.38Å; D122-T126 PolarHBondContact O-OG1 3.29Å; F123-T126 PolarHBondContact O-OG1 2.81Å; L124-T126 VanDerWaalsContact C-N 3.33Å; L124-T126 PolarHBondContact O-N 2.92Å; T126-E128 VanDerWaalsContact C-N 3.32Å; T126-E128 PolarHBondContact O-N 3.46Å; T126-Q129 PolarHBondContact O-N 2.85Å; T126-Q129 VanDerWaalsContact O-N 3.11Å; T126-H130 PolarHBondContact O-CD2 2.82Å; T126-H130 PolarHBondContact O-N 3.27Å; T126-H130 VanDerWaalsContact O-N 3.16Å; T126-K205 HydrophobicContact CG2-CB 4.46Å; T126-F206 VanDerWaalsContact CB-O 3.25Å; T126-F206 WeakPolarHBondContact CB-O 3.32Å; T126-F206 WeakPolarHBondContact CG2-O 3.29Å; T126-F206 PolarHBondContact OG1-N 3.21Å
127A98.6Very high97.9Very high2 Ų242.2 Ų42.22%0.01721%0.214CC..Hα-helixtrans-61.1-39.7172.400000111.9F123 L124 Q129 H130 F131 R158 F206F123-A127 WeakPolarHBondContact O-CB 2.93Å; F123-A127 PolarHBondContact O-N 3.16Å; L124-A127 PolarHBondContact O-N 2.94Å; A127-Q129 PolarHBondContact O-N 3.42Å; A127-H130 PolarHBondContact O-N 2.82Å; A127-F131 HydrophobicContact CB-CB 4.12Å; A127-F131 WeakPolarHBondContact O-CA 3.22Å; A127-F131 VanDerWaalsContact O-CB 3.3Å; A127-F131 WeakPolarHBondContact O-CB 3.23Å; A127-F131 PolarHBondContact O-N 3.48Å; A127-R158 PolarHBondContact O-NH2 3.09Å; A127-F206 HydrophobicContact CB-CD2 3.9Å; A127-F206 HydrophobicContact CB-CE2 3.71Å
128E98.3Very high98.1Very high32 Ų3242.9 Ų42.915%0.1522%0.217CC..Hα-helixtrans-62.7-28.4174.6-73.7-55.997.600113.1L124 T126 V152 M154 A155 R158L124-E128 PolarHBondContact O-N 3.2Å; L124-E128 VanDerWaalsContact O-N 3.09Å; T126-E128 VanDerWaalsContact C-N 3.32Å; T126-E128 PolarHBondContact O-N 3.46Å; E128-V152 HydrophobicContact CG-CG1 4.24Å; E128-M154 HydrophobicContact CG-SD 4.25Å; E128-M154 WeakPolarHBondContact OE1-CE 3.43Å; E128-M154 WeakPolarHBondContact OE2-CA 3.49Å; E128-A155 PolarHBondContact OE2-N 3.44Å; E128-R158 IonicContact OE1-CZ 3.88Å; E128-R158 IonicContact OE1-NE 2.67Å; E128-R158 PolarHBondContact OE1-NE 3.05Å; E128-R158 IonicContact OE1-NH2 2.73Å; E128-R158 PolarHBondContact OE1-NH2 3.22Å; E128-R158 IonicContact OE2-NE 3.8Å; E128-R158 PolarHBondContact OE2-NE 3.47Å
129Q98.4Very high98.2Very high125 Ų12536.6 Ų36.658%0.58419%0.193SC*.Hα-helixtrans-83.7-24.4-179.2-64.61742800113.3E125 T126 A127 V133E125-Q129 WeakPolarHBondContact O-CG 3.48Å; E125-Q129 PolarHBondContact O-NE2 3.31Å; T126-Q129 PolarHBondContact O-N 2.85Å; T126-Q129 VanDerWaalsContact O-N 3.11Å; A127-Q129 PolarHBondContact O-N 3.42Å; Q129-V133 WeakPolarHBondContact O-CG2 3.38Å
130H98.8Very high98.3Very high44 Ų4435.7 Ų35.720%0.20419%0.189CC..Hα-helixtrans-138.3-27.8-161.7-65.7-45.5000115.6T126 A127 F206 S208 W210T126-H130 PolarHBondContact O-CD2 2.82Å; T126-H130 PolarHBondContact O-N 3.27Å; T126-H130 VanDerWaalsContact O-N 3.16Å; A127-H130 PolarHBondContact O-N 2.82Å; H130-F206 HydrophobicContact CB-CB 3.69Å; H130-F206 HydrophobicContact CB-CG 4.39Å; H130-F206 PolarHBondContact CD2-O 3.04Å; H130-S208 WeakPolarHBondContact CB-O 3.38Å; H130-W210 PolarHBondContact O-N 3.1Å
131F98.8Very high98.3Very high1 Ų135.7 Ų35.70%0.00419%0.189CC..BIsolated β-bridgetrans-91.5108.4-174.1-175.5-102.9000111V106 A108 A127 V133 V137 R158 F198 L200 F206 W210V106-F131 HydrophobicContact CG1-CE1 4.33Å; V106-F131 HydrophobicContact CG1-CZ 4.15Å; A108-F131 HydrophobicContact CB-CE1 3.82Å; A108-F131 HydrophobicContact CB-CZ 4.1Å; A127-F131 HydrophobicContact CB-CB 4.12Å; A127-F131 WeakPolarHBondContact O-CA 3.22Å; A127-F131 VanDerWaalsContact O-CB 3.3Å; A127-F131 WeakPolarHBondContact O-CB 3.23Å; A127-F131 PolarHBondContact O-N 3.48Å; F131-V133 VanDerWaalsContact C-N 3.26Å; F131-V133 PolarHBondContact O-N 2.85Å; F131-V137 HydrophobicContact CD1-CG1 4.08Å; F131-V137 HydrophobicContact CE1-CG1 3.97Å; F131-R158 PolarHBondContact O-NH1 3.05Å; F131-R158 PolarHBondContact O-NH2 3.07Å; F131-R158 VanDerWaalsContact O-NH2 3.14Å; F131-F198 HydrophobicContact CE2-CB 4.45Å; F131-F198 HydrophobicContact CE2-CD2 4.36Å; F131-F198 HydrophobicContact CE2-CG 4.44Å; F131-F198 HydrophobicContact CZ-CB 4.17Å; F131-F198 HydrophobicContact CZ-CD2 4.05Å; F131-F198 HydrophobicContact CZ-CG 4.34Å; F131-L200 HydrophobicContact CE2-CD1 4.24Å; F131-F206 HydrophobicContact CB-CD1 4.33Å; F131-F206 HydrophobicContact CB-CE1 3.94Å; F131-F206 HydrophobicContact CB-CE2 4.38Å; F131-F206 HydrophobicContact CB-CZ 3.95Å; F131-F206 AromaticContact CD2-CE1 3.58Å; F131-F206 HydrophobicContact CD2-CE1 3.58Å; F131-F206 AromaticContact CD2-CZ 3.69Å; F131-F206 HydrophobicContact CD2-CZ 3.69Å; F131-F206 HydrophobicContact CE2-CE1 4.48Å; F131-F206 HydrophobicContact CE2-CZ 4.46Å; F131-F206 HydrophobicContact CG-CE1 4.12Å; F131-F206 AromaticContact CG-CZ 3.98Å; F131-F206 HydrophobicContact CG-CZ 3.98Å; F131-W210 WeakPolarHBondContact CA-O 3.3Å; F131-W210 HydrophobicContact CD2-CB 4.1Å; F131-W210 AromaticContact CD2-CD1 3.84Å; F131-W210 HydrophobicContact CD2-CD2 4.34Å; F131-W210 AromaticContact CD2-CG 3.83Å; F131-W210 HydrophobicContact CD2-CG 3.83Å; F131-W210 AromaticContact CE2-CD1 3.76Å; F131-W210 HydrophobicContact CE2-CD2 4.44Å; F131-W210 HydrophobicContact CE2-CG 4.14Å; F131-W210 AromaticContact CE2-NE1 3.9Å
132F98.6Very high98.2Very high1 Ų131.1 Ų31.10%0.00417%0.169CC..SBendtrans49.744177.8-77.6-91000113.1V106 G134 F135 V137 R158 F198 W210 G211 T212 L215V106-F132 HydrophobicContact CG1-CD2 4.19Å; V106-F132 HydrophobicContact CG1-CE2 4.16Å; V106-F132 HydrophobicContact CG1-CG 4.5Å; V106-F132 HydrophobicContact CG1-CZ 4.46Å; V106-F132 HydrophobicContact CG2-CD1 3.83Å; V106-F132 HydrophobicContact CG2-CE1 3.92Å; V106-F132 HydrophobicContact CG2-CG 4.21Å; V106-F132 HydrophobicContact CG2-CZ 4.37Å; F132-G134 PolarHBondContact O-N 3.41Å; F132-F135 HydrophobicContact CB-CB 4.25Å; F132-F135 HydrophobicContact CD1-CD2 4.31Å; F132-F135 HydrophobicContact CD1-CG 4.43Å; F132-F135 WeakPolarHBondContact O-CB 3.21Å; F132-F135 PolarHBondContact O-N 3.27Å; F132-V137 HydrophobicContact CB-CG2 3.72Å; F132-R158 PolarHBondContact O-NH1 2.87Å; F132-F198 HydrophobicContact CE2-CD2 4.03Å; F132-F198 AromaticContact CE2-CE2 3.67Å; F132-F198 HydrophobicContact CE2-CE2 3.67Å; F132-F198 HydrophobicContact CE2-CZ 4.41Å; F132-F198 HydrophobicContact CZ-CD2 4.48Å; F132-F198 AromaticContact CZ-CE2 3.72Å; F132-F198 HydrophobicContact CZ-CE2 3.72Å; F132-F198 HydrophobicContact CZ-CZ 4.35Å; F132-W210 AromaticContact CE2-CD1 3.65Å; F132-W210 PolarHBondContact N-O 2.99Å; F132-G211 VanDerWaalsContact CE1-C 3.45Å; F132-G211 VanDerWaalsContact CZ-O 3.28Å; F132-G211 WeakPolarHBondContact CZ-O 3.38Å; F132-T212 HydrophobicContact CE1-CG2 4.39Å; F132-L215 HydrophobicContact CE1-CD1 4.06Å; F132-L215 HydrophobicContact CE1-CD2 3.69Å; F132-L215 HydrophobicContact CE1-CG 3.86Å; F132-L215 HydrophobicContact CZ-CD2 3.53Å; F132-L215 HydrophobicContact CZ-CG 3.94Å
133V98.1Very high98.1Very high78 Ų7828.3 Ų28.347%0.47315%0.154SC..THydrogen-bonded Turntrans-57.9130177-1800000109.8Q129 F131Q129-V133 WeakPolarHBondContact O-CG2 3.38Å; F131-V133 VanDerWaalsContact C-N 3.26Å; F131-V133 PolarHBondContact O-N 2.85Å
134G96.4Very high97.8Very high64 Ų6430 Ų3066%0.6616%0.164SC*.THydrogen-bonded Turntrans87.41.3-176.400000115F132F132-G134 PolarHBondContact O-N 3.41Å
135F97.9Very high97.7Very high15 Ų1532.3 Ų32.37%0.06617%0.174CC..SBendtrans-114.4162.5174-66.4-90.6000111.7D96 Q100 I104 F132 V137 T212D96-F135 HydrophobicContact CB-CE2 4.38Å; D96-F135 HydrophobicContact CB-CZ 4.22Å; D96-F135 WeakPolarHBondContact OD1-CE2 3.29Å; Q100-F135 HydrophobicContact CG-CE1 3.94Å; Q100-F135 HydrophobicContact CG-CZ 3.85Å; I104-F135 HydrophobicContact CD1-CD1 3.96Å; I104-F135 HydrophobicContact CD1-CE1 4.15Å; I104-F135 HydrophobicContact CG1-CD1 3.61Å; I104-F135 HydrophobicContact CG1-CE1 4.01Å; F132-F135 HydrophobicContact CB-CB 4.25Å; F132-F135 HydrophobicContact CD1-CD2 4.31Å; F132-F135 HydrophobicContact CD1-CG 4.43Å; F132-F135 WeakPolarHBondContact O-CB 3.21Å; F132-F135 PolarHBondContact O-N 3.27Å; F135-V137 PolarHBondContact O-N 3.39Å; F135-T212 HydrophobicContact CD2-CG2 4.41Å; F135-T212 HydrophobicContact CE1-CG2 3.88Å; F135-T212 HydrophobicContact CE2-CG2 3.6Å; F135-T212 HydrophobicContact CZ-CG2 3.29Å
136K98.3Very high97.6Very high80 Ų8031.2 Ų31.235%0.34817%0.173SC..EExtended strand (participates in β ladder)trans-71.1127.6171.4-65.7173.1177.1171.80109.6N103 T105 V106 G157N103-K136 PolarHBondContact ND2-NZ 2.88Å; N103-K136 WeakPolarHBondContact OD1-CE 3.25Å; N103-K136 PolarHBondContact OD1-NZ 3.43Å; T105-K136 HydrophobicContact CG2-CB 4.02Å; T105-K136 WeakPolarHBondContact OG1-CD 3.5Å; V106-K136 PolarHBondContact N-O 3.46Å; K136-G157 VanDerWaalsContact CA-O 3.26Å; K136-G157 WeakPolarHBondContact CA-O 3.31Å
137V98.5Very high97.5Very high1 Ų138 Ų381%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-133.7132.7-178.7176.60000111.3V106 F131 F132 F135 V139 G157 R158 E159V106-V137 HydrophobicContact CB-CG2 4.48Å; V106-V137 CarbonylContact O-C 3.51Å; V106-V137 VanDerWaalsContact O-CA 3.22Å; V106-V137 WeakPolarHBondContact O-CA 3.32Å; F131-V137 HydrophobicContact CD1-CG1 4.08Å; F131-V137 HydrophobicContact CE1-CG1 3.97Å; F132-V137 HydrophobicContact CB-CG2 3.72Å; F135-V137 PolarHBondContact O-N 3.39Å; V137-V139 HydrophobicContact CG1-CG2 3.9Å; V137-G157 PolarHBondContact N-O 2.91Å; V137-R158 HydrophobicContact CB-CG 4.19Å; V137-R158 CarbonylContact O-C 3.57Å; V137-R158 WeakPolarHBondContact O-CA 3.15Å; V137-E159 PolarHBondContact O-N 3Å
138K98.3Very high97.4Very high34 Ų3443.5 Ų43.515%0.14823%0.234CC..EExtended strand (participates in β ladder)trans-114.1110.4173-54.1-170.5162.7-152.70109.1T105 V106 A107 A108 Y140 E159 D193 V194T105-K138 HydrophobicContact CG2-CD 4.25Å; T105-K138 HydrophobicContact CG2-CG 4.01Å; V106-K138 PolarHBondContact O-N 2.92Å; A107-K138 CarbonylContact C-O 3.6Å; A107-K138 VanDerWaalsContact CA-O 3.25Å; A107-K138 WeakPolarHBondContact CA-O 3.46Å; A108-K138 PolarHBondContact N-O 3.22Å; K138-Y140 HydrophobicContact CB-CD2 4.31Å; K138-Y140 HydrophobicContact CB-CE2 3.61Å; K138-Y140 HydrophobicContact CD-CE2 4.45Å; K138-E159 HydrophobicContact CB-CG 3.92Å; K138-E159 HydrophobicContact CD-CG 4.35Å; K138-E159 WeakPolarHBondContact CD-OE1 3.42Å; K138-E159 WeakPolarHBondContact CE-OE1 3.2Å; K138-E159 HydrophobicContact CG-CG 3.68Å; K138-E159 WeakPolarHBondContact CG-OE1 3.33Å; K138-E159 IonicContact NZ-OE1 3.58Å; K138-E159 PolarHBondContact NZ-OE1 3.25Å; K138-D193 IonicContact NZ-OD2 3.56Å; K138-V194 HydrophobicContact CD-CG2 3.92Å
139V98.4Very high97.3Very high1 Ų143 Ų431%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-94.8112.1178.2-173.10000109.2A108 V110 L124 V137 V141 M154 E159 L160 V161A108-V139 HydrophobicContact CB-CG1 4.49Å; A108-V139 HydrophobicContact CB-CG2 4.47Å; A108-V139 CarbonylContact O-C 3.44Å; A108-V139 WeakPolarHBondContact O-CA 3.45Å; V110-V139 HydrophobicContact CG1-CG1 4.22Å; L124-V139 HydrophobicContact CD2-CB 4.48Å; L124-V139 HydrophobicContact CD2-CG1 3.73Å; V137-V139 HydrophobicContact CG1-CG2 3.9Å; V139-V141 HydrophobicContact CG1-CG2 4.35Å; V139-M154 HydrophobicContact CG2-CE 4.19Å; V139-E159 PolarHBondContact N-O 2.94Å; V139-L160 HydrophobicContact CB-CD1 3.87Å; V139-L160 HydrophobicContact CG1-CD1 3.94Å; V139-V161 PolarHBondContact O-N 3.3Å
140Y98.2Very high97.2Very high6 Ų638.3 Ų38.32%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-94108.1176.9-68.9-90.3000110.2A107 A108 V110 K138 V161 L185 T189 L190A107-Y140 HydrophobicContact CB-CD2 4.2Å; A107-Y140 HydrophobicContact CB-CE2 4.09Å; A108-Y140 PolarHBondContact O-N 3.49Å; V110-Y140 PolarHBondContact N-O 2.71Å; K138-Y140 HydrophobicContact CB-CD2 4.31Å; K138-Y140 HydrophobicContact CB-CE2 3.61Å; K138-Y140 HydrophobicContact CD-CE2 4.45Å; Y140-V161 CarbonylContact C-O 3.57Å; Y140-V161 WeakPolarHBondContact CA-O 3.43Å; Y140-V161 HydrophobicContact CD1-CB 3.76Å; Y140-V161 HydrophobicContact CD1-CG1 3.85Å; Y140-V161 HydrophobicContact CD1-CG2 4.43Å; Y140-V161 HydrophobicContact CE1-CB 3.83Å; Y140-V161 HydrophobicContact CE1-CG1 3.77Å; Y140-V161 HydrophobicContact CE1-CG2 4.08Å; Y140-V161 HydrophobicContact CG-CB 4.45Å; Y140-L185 HydrophobicContact CD1-CD1 3.65Å; Y140-L185 HydrophobicContact CD1-CD2 4.34Å; Y140-L185 HydrophobicContact CD2-CD2 4.21Å; Y140-L185 HydrophobicContact CE1-CD1 3.76Å; Y140-L185 HydrophobicContact CG-CD1 4.17Å; Y140-L185 HydrophobicContact CG-CD2 3.99Å; Y140-T189 HydrophobicContact CE1-CG2 4.11Å; Y140-L190 HydrophobicContact CD2-CD2 4.33Å; Y140-L190 HydrophobicContact CE1-CD2 4.25Å; Y140-L190 HydrophobicContact CE2-CD2 3.44Å; Y140-L190 VanDerWaalsContact CE2-CD2 3.44Å; Y140-L190 VanDerWaalsContact OH-CD2 3.23Å; Y140-L190 WeakPolarHBondContact OH-CD2 3.39Å
141V98.1Very high97Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-95.7118.1176.7178.30000109.3V110 A112 L120 V139 T143 V149 L160 V161 R163V110-V141 HydrophobicContact CG1-CB 4.33Å; V110-V141 HydrophobicContact CG1-CG2 3.76Å; A112-V141 HydrophobicContact CB-CG1 4.47Å; L120-V141 HydrophobicContact CD1-CG1 4.12Å; L120-V141 HydrophobicContact CD1-CG2 3.97Å; L120-V141 HydrophobicContact CD2-CG1 3.58Å; L120-V141 HydrophobicContact CD2-CG2 4.39Å; V139-V141 HydrophobicContact CG1-CG2 4.35Å; V141-T143 HydrophobicContact CG1-CG2 4.39Å; V141-V149 HydrophobicContact CG1-CG2 4.27Å; V141-L160 HydrophobicContact CG2-CD1 3.52Å; V141-L160 HydrophobicContact CG2-CG 4.43Å; V141-V161 PolarHBondContact N-O 2.95Å; V141-R163 PolarHBondContact O-N 2.55Å
142F96.3Very high96.9Very high9 Ų947.7 Ų47.74%0.03926%0.256CS..EExtended strand (participates in β ladder)trans-99.3118.8172.5-63.8-82.8000110T109 V110 F111 A112 R163 V165 I181 L185T109-F142 HydrophobicContact CG2-CE2 4.24Å; V110-F142 PolarHBondContact O-N 2.84Å; F111-F142 HydrophobicContact CD1-CB 3.57Å; F111-F142 HydrophobicContact CD1-CD2 4.31Å; F111-F142 HydrophobicContact CD1-CG 4.13Å; F111-F142 HydrophobicContact CE1-CB 3.77Å; F111-F142 AromaticContact CE1-CD2 3.91Å; F111-F142 HydrophobicContact CE1-CD2 3.91Å; F111-F142 AromaticContact CE1-CG 3.83Å; F111-F142 HydrophobicContact CE1-CG 3.83Å; F111-F142 HydrophobicContact CE2-CD2 4.21Å; F111-F142 HydrophobicContact CG-CB 4.21Å; F111-F142 AromaticContact CZ-CD2 3.86Å; F111-F142 HydrophobicContact CZ-CD2 3.86Å; F111-F142 HydrophobicContact CZ-CE2 4.32Å; F111-F142 HydrophobicContact CZ-CG 4.24Å; A112-F142 PolarHBondContact N-O 2.92Å; F142-R163 WeakPolarHBondContact CA-O 3.34Å; F142-R163 HydrophobicContact CD1-CB 3.52Å; F142-R163 HydrophobicContact CD1-CG 4.29Å; F142-R163 HydrophobicContact CE1-CB 3.56Å; F142-R163 HydrophobicContact CE1-CG 3.84Å; F142-R163 HydrophobicContact CG-CB 4.44Å; F142-R163 HydrophobicContact CZ-CB 4.49Å; F142-R163 HydrophobicContact CZ-CG 4.41Å; F142-V165 HydrophobicContact CB-CG1 4.06Å; F142-V165 HydrophobicContact CB-CG2 4.26Å; F142-V165 HydrophobicContact CD1-CG1 3.7Å; F142-V165 HydrophobicContact CG-CG1 4.35Å; F142-I181 HydrophobicContact CD1-CG2 3.44Å; F142-I181 VanDerWaalsContact CD1-CG2 3.44Å; F142-I181 HydrophobicContact CD2-CG2 4.17Å; F142-I181 HydrophobicContact CE1-CG2 3.18Å; F142-I181 HydrophobicContact CE2-CG2 3.96Å; F142-I181 HydrophobicContact CG-CG2 3.92Å; F142-I181 HydrophobicContact CZ-CG2 3.46Å; F142-I181 VanDerWaalsContact CZ-CG2 3.46Å; F142-L185 HydrophobicContact CE2-CD2 4.15Å; F142-L185 HydrophobicContact CZ-CB 4.28Å; F142-L185 HydrophobicContact CZ-CD1 4.2Å; F142-L185 HydrophobicContact CZ-CD2 3.89Å; F142-L185 HydrophobicContact CZ-CG 4.31Å
143T95.4Very high96.7Very high0 Ų057.1 Ų57.10%030%0.297CS..EExtended strand (participates in β ladder)trans-148.3153.8-177.6-175.50000112.5A112 V141 Q145 P146 V149 V162 R163 S164 V165A112-T143 VanDerWaalsContact O-CB 3.24Å; A112-T143 WeakPolarHBondContact O-CB 3.38Å; A112-T143 PolarHBondContact O-OG1 3.05Å; V141-T143 HydrophobicContact CG1-CG2 4.39Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 PolarHBondContact OG1-N 3.19Å; T143-P146 HydrophobicContact CG2-CB 4.46Å; T143-V149 HydrophobicContact CG2-CG2 3.79Å; T143-V162 HydrophobicContact CG2-CG1 4.11Å; T143-R163 PolarHBondContact N-O 2.76Å; T143-R163 VanDerWaalsContact N-O 3.12Å; T143-S164 CarbonylContact O-C 3.48Å; T143-S164 WeakPolarHBondContact O-CA 3.48Å; T143-V165 PolarHBondContact O-N 2.8Å
144D93.3Very high96.6Very high39 Ų3955.3 Ų55.321%0.20928%0.284CS..SBendtrans-85-6.5167.664.9-35.1000112.9V113 G114 P146 V165 N167V113-D144 WeakPolarHBondContact CA-OD1 3.26Å; V113-D144 HydrophobicContact CG1-CB 4.33Å; G114-D144 PolarHBondContact N-OD1 3.46Å; G114-D144 PolarHBondContact N-OD2 2.95Å; D144-P146 VanDerWaalsContact C-CD 3.48Å; D144-P146 WeakPolarHBondContact O-CD 3.19Å; D144-V165 WeakPolarHBondContact CA-O 3.39Å; D144-V165 WeakPolarHBondContact CB-O 3.26Å; D144-N167 HydrophobicContact CB-CB 3.9Å; D144-N167 WeakPolarHBondContact OD2-CB 3.42Å; D144-N167 VanDerWaalsContact OD2-CG 3.25Å; D144-N167 PolarHBondContact OD2-ND2 2.83Å
145Q95.4Very high96.6Very high49 Ų4954.9 Ų54.923%0.22928%0.275CS..  trans-126.764.7-175.9-68.8159.89600110.8G114 T143 N147 E148G114-Q145 PolarHBondContact O-NE2 3.33Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 PolarHBondContact OG1-N 3.19Å; Q145-N147 PolarHBondContact O-N 3.21Å; Q145-N147 VanDerWaalsContact O-N 3.15Å; Q145-E148 HydrophobicContact CB-CB 4.11Å; Q145-E148 HydrophobicContact CB-CG 4.11Å; Q145-E148 PolarHBondContact O-N 3.41Å; Q145-E148 PolarHBondContact OE1-OE1 2.94Å; Q145-E148 PolarHBondContact OE1-OE2 3.31Å
146P96.2Very high96.5Very high52 Ų5259.2 Ų59.234%0.33831%0.313SS..G310 helixtrans-60.2-29.9-174.523.5-34.4000113.7T143 D144 E148 V149 V162T143-P146 HydrophobicContact CG2-CB 4.46Å; D144-P146 VanDerWaalsContact C-CD 3.48Å; D144-P146 WeakPolarHBondContact O-CD 3.19Å; P146-E148 PolarHBondContact O-N 3.21Å; P146-V149 WeakPolarHBondContact O-CG2 3.32Å; P146-V149 PolarHBondContact O-N 3.31Å; P146-V162 HydrophobicContact CB-CG1 3.95Å
147N96.4Very high96.4Very high165 Ų16558 Ų5888%0.88232%0.323SS*.G310 helixtrans-73-15.8178.1-64.4-29.3000113.3Q145Q145-N147 PolarHBondContact O-N 3.21Å; Q145-N147 VanDerWaalsContact O-N 3.15Å
148E96.8Very high96.3Very high117 Ų11759 Ų5955%0.54733%0.327SS..G310 helixtrans-94.7-2.9178.7-62.5-163.3-169.200113.1I117 Q145 P146I117-E148 HydrophobicContact CG1-CB 3.96Å; Q145-E148 HydrophobicContact CB-CB 4.11Å; Q145-E148 HydrophobicContact CB-CG 4.11Å; Q145-E148 PolarHBondContact O-N 3.41Å; Q145-E148 PolarHBondContact OE1-OE1 2.94Å; Q145-E148 PolarHBondContact OE1-OE2 3.31Å; P146-E148 PolarHBondContact O-N 3.21Å
149V97.6Very high96.3Very high21 Ų2161 Ų6113%0.12734%0.337CS..  trans-61.4123.6176.9175.20000109.4I117 L120 V141 T143 P146 L160 V162I117-V149 HydrophobicContact CD1-CG2 4.46Å; L120-V149 HydrophobicContact CD2-CB 4.43Å; L120-V149 HydrophobicContact CD2-CG1 4.06Å; L120-V149 HydrophobicContact CD2-CG2 4.15Å; V141-V149 HydrophobicContact CG1-CG2 4.27Å; T143-V149 HydrophobicContact CG2-CG2 3.79Å; P146-V149 WeakPolarHBondContact O-CG2 3.32Å; P146-V149 PolarHBondContact O-N 3.31Å; V149-L160 HydrophobicContact CG1-CD2 4.04Å; V149-V162 HydrophobicContact CB-CG2 4.2Å; V149-V162 HydrophobicContact CG1-CG2 3.83Å; V149-V162 HydrophobicContact CG2-CG1 3.91Å; V149-V162 HydrophobicContact CG2-CG2 4.03Å
150P96.4Very high96.3Very high28 Ų2863.3 Ų63.318%0.18235%0.348CS..  trans-68.4141.7-175.827.8-33.5000110.8L120 K121 L124 V152L120-P150 HydrophobicContact CD2-CG 4.47Å; L120-P150 HydrophobicContact CG-CG 4.24Å; K121-P150 HydrophobicContact CB-CB 4.05Å; K121-P150 HydrophobicContact CB-CG 3.86Å; K121-P150 HydrophobicContact CG-CB 4.17Å; K121-P150 HydrophobicContact CG-CG 4.4Å; L124-P150 HydrophobicContact CD1-CG 4.17Å; P150-V152 PolarHBondContact O-N 3.4Å
151K94.4Very high96.2Very high217 Ų21764.6 Ų64.694%0.94336%0.357SS*.  trans-77.5102.1174.1-63.9-177.3-177.5179.50109.3
152V94.9Very high96.2Very high25 Ų2567.3 Ų67.315%0.15237%0.373CS..  trans-104.9136.5174.3-179.30000109.3L124 E125 E128 P150 M154L124-V152 HydrophobicContact CB-CB 4.32Å; L124-V152 HydrophobicContact CB-CG1 4.4Å; L124-V152 HydrophobicContact CB-CG2 3.78Å; L124-V152 HydrophobicContact CD1-CG2 4.1Å; E125-V152 HydrophobicContact CG-CG1 4.26Å; E125-V152 HydrophobicContact CG-CG2 4.14Å; E128-V152 HydrophobicContact CG-CG1 4.24Å; P150-V152 PolarHBondContact O-N 3.4Å; V152-M154 HydrophobicContact CG1-SD 4.48Å; V152-M154 PolarHBondContact O-N 2.91Å
153K95.1Very high96.1Very high198 Ų19872 Ų7286%0.86139%0.391SS*.  trans-77.6106.3176.9-176.9-177.7178.5-177.50109.1
154M95.9Very high96Very high40 Ų4076.3 Ų76.320%0.19742%0.421CS..PPolyproline II helixtrans-77139.5176.8-53.4-57.8-72.200111E128 V139 V152 R158 L160E128-M154 HydrophobicContact CG-SD 4.25Å; E128-M154 WeakPolarHBondContact OE1-CE 3.43Å; E128-M154 WeakPolarHBondContact OE2-CA 3.49Å; V139-M154 HydrophobicContact CG2-CE 4.19Å; V152-M154 HydrophobicContact CG1-SD 4.48Å; V152-M154 PolarHBondContact O-N 2.91Å; M154-R158 HydrophobicContact CB-CB 4.27Å; M154-R158 WeakPolarHBondContact CB-O 3.36Å; M154-R158 HydrophobicContact CE-CB 4.08Å; M154-L160 HydrophobicContact CG-CB 4.29Å; M154-L160 HydrophobicContact SD-CB 4.23Å
155A96.6Very high95.8Very high56 Ų5675.1 Ų75.146%0.46342%0.415SS..PPolyproline II helixtrans-69.7167172.100000111.9E128 G157 R158E128-A155 PolarHBondContact OE2-N 3.44Å; A155-G157 PolarHBondContact O-N 3.44Å; A155-R158 WeakPolarHBondContact O-CB 3.33Å; A155-R158 PolarHBondContact O-N 2.97Å; A155-R158 VanDerWaalsContact O-N 3.09Å
156A95.6Very high95.2Very high105 Ų10576.6 Ų76.687%0.86843%0.429SS*.THydrogen-bonded Turntrans-57.6136.9-179.400000111.9R158A156-R158 VanDerWaalsContact C-N 3.26Å; A156-R158 PolarHBondContact O-N 2.81Å
157G95.7Very high94.1Very high54 Ų5478.4 Ų78.456%0.55744%0.436SS*.THydrogen-bonded Turntrans77.18.1-17700000114.5K136 V137 A155K136-G157 VanDerWaalsContact CA-O 3.26Å; K136-G157 WeakPolarHBondContact CA-O 3.31Å; V137-G157 PolarHBondContact N-O 2.91Å; A155-G157 PolarHBondContact O-N 3.44Å
158R98Very high92.6Very high23 Ų2371.2 Ų71.29%0.08740%0.399CS..EExtended strand (participates in β ladder)trans-119.8139.1179.1-53174.364.6101.6-11.2110.8A127 E128 F131 F132 V137 M154 A155 A156A127-R158 PolarHBondContact O-NH2 3.09Å; E128-R158 IonicContact OE1-CZ 3.88Å; E128-R158 IonicContact OE1-NE 2.67Å; E128-R158 PolarHBondContact OE1-NE 3.05Å; E128-R158 IonicContact OE1-NH2 2.73Å; E128-R158 PolarHBondContact OE1-NH2 3.22Å; E128-R158 IonicContact OE2-NE 3.8Å; E128-R158 PolarHBondContact OE2-NE 3.47Å; F131-R158 PolarHBondContact O-NH1 3.05Å; F131-R158 PolarHBondContact O-NH2 3.07Å; F131-R158 VanDerWaalsContact O-NH2 3.14Å; F132-R158 PolarHBondContact O-NH1 2.87Å; V137-R158 HydrophobicContact CB-CG 4.19Å; V137-R158 CarbonylContact O-C 3.57Å; V137-R158 WeakPolarHBondContact O-CA 3.15Å; M154-R158 HydrophobicContact CB-CB 4.27Å; M154-R158 WeakPolarHBondContact CB-O 3.36Å; M154-R158 HydrophobicContact CE-CB 4.08Å; A155-R158 WeakPolarHBondContact O-CB 3.33Å; A155-R158 PolarHBondContact O-N 2.97Å; A155-R158 VanDerWaalsContact O-N 3.09Å; A156-R158 VanDerWaalsContact C-N 3.26Å; A156-R158 PolarHBondContact O-N 2.81Å
159E97.1Very high90.9Very high77 Ų7774.6 Ų74.636%0.3641%0.412SS..EExtended strand (participates in β ladder)trans-133.8147-177.862.9-177.4-156.800111.9V137 K138 V139 V161V137-E159 PolarHBondContact O-N 3Å; K138-E159 HydrophobicContact CB-CG 3.92Å; K138-E159 HydrophobicContact CD-CG 4.35Å; K138-E159 WeakPolarHBondContact CD-OE1 3.42Å; K138-E159 WeakPolarHBondContact CE-OE1 3.2Å; K138-E159 HydrophobicContact CG-CG 3.68Å; K138-E159 WeakPolarHBondContact CG-OE1 3.33Å; K138-E159 IonicContact NZ-OE1 3.58Å; K138-E159 PolarHBondContact NZ-OE1 3.25Å; V139-E159 PolarHBondContact N-O 2.94Å; E159-V161 HydrophobicContact CG-CG2 4.2Å
160L97.9Very high89.2Confident48 Ų4878 Ų7825%0.25142%0.422SS..EExtended strand (participates in β ladder)trans-108.4120171.6-17569.2000108L124 V139 V141 V149 M154L124-L160 HydrophobicContact CD1-CD1 4Å; L124-L160 HydrophobicContact CD1-CD2 3.98Å; L124-L160 HydrophobicContact CD2-CD1 3.6Å; L124-L160 HydrophobicContact CG-CD1 4.48Å; V139-L160 HydrophobicContact CB-CD1 3.87Å; V139-L160 HydrophobicContact CG1-CD1 3.94Å; V141-L160 HydrophobicContact CG2-CD1 3.52Å; V141-L160 HydrophobicContact CG2-CG 4.43Å; V149-L160 HydrophobicContact CG1-CD2 4.04Å; M154-L160 HydrophobicContact CG-CB 4.29Å; M154-L160 HydrophobicContact SD-CB 4.23Å
161V97.3Very high87.4Confident34 Ų3479.2 Ų79.221%0.20642%0.423CS..EExtended strand (participates in β ladder)trans-115.3115.4-179.3-174.90000108.9V139 Y140 V141 E159V139-V161 PolarHBondContact O-N 3.3Å; Y140-V161 CarbonylContact C-O 3.57Å; Y140-V161 WeakPolarHBondContact CA-O 3.43Å; Y140-V161 HydrophobicContact CD1-CB 3.76Å; Y140-V161 HydrophobicContact CD1-CG1 3.85Å; Y140-V161 HydrophobicContact CD1-CG2 4.43Å; Y140-V161 HydrophobicContact CE1-CB 3.83Å; Y140-V161 HydrophobicContact CE1-CG1 3.77Å; Y140-V161 HydrophobicContact CE1-CG2 4.08Å; Y140-V161 HydrophobicContact CG-CB 4.45Å; V141-V161 PolarHBondContact N-O 2.95Å; E159-V161 HydrophobicContact CG-CG2 4.2Å
162V97.6Very high85.6Confident57 Ų5770.4 Ų70.435%0.34539%0.385SS..EExtended strand (participates in β ladder)trans-92.6129178.8-176.60000109.8T143 P146 V149T143-V162 HydrophobicContact CG2-CG1 4.11Å; P146-V162 HydrophobicContact CB-CG1 3.95Å; V149-V162 HydrophobicContact CB-CG2 4.2Å; V149-V162 HydrophobicContact CG1-CG2 3.83Å; V149-V162 HydrophobicContact CG2-CG1 3.91Å; V149-V162 HydrophobicContact CG2-CG2 4.03Å
163R95.2Very high84.3Confident106 Ų10673.2 Ų73.240%0.440%0.397SS..EExtended strand (participates in β ladder)trans-121.4119.6175.4-65.4-62.5-166.1172.45.9109.1V141 F142 T143 T189V141-R163 PolarHBondContact O-N 2.55Å; F142-R163 WeakPolarHBondContact CA-O 3.34Å; F142-R163 HydrophobicContact CD1-CB 3.52Å; F142-R163 HydrophobicContact CD1-CG 4.29Å; F142-R163 HydrophobicContact CE1-CB 3.56Å; F142-R163 HydrophobicContact CE1-CG 3.84Å; F142-R163 HydrophobicContact CG-CB 4.44Å; F142-R163 HydrophobicContact CZ-CB 4.49Å; F142-R163 HydrophobicContact CZ-CG 4.41Å; T143-R163 PolarHBondContact N-O 2.76Å; T143-R163 VanDerWaalsContact N-O 3.12Å; R163-T189 PolarHBondContact NH2-OG1 2.79Å
164S92.4Very high82.9Confident91 Ų9165.5 Ų65.564%0.63636%0.364SS*.EExtended strand (participates in β ladder)trans-71.3132176.1-166.80000109.9T143T143-S164 CarbonylContact O-C 3.48Å; T143-S164 WeakPolarHBondContact O-CA 3.48Å
165V90.1Very high81.2Confident15 Ų1563.8 Ų63.89%0.09136%0.356CS..  trans-130.6146.1173.5-610000109.2V113 F142 T143 D144 I181V113-V165 HydrophobicContact CG2-CG2 3.94Å; F142-V165 HydrophobicContact CB-CG1 4.06Å; F142-V165 HydrophobicContact CB-CG2 4.26Å; F142-V165 HydrophobicContact CD1-CG1 3.7Å; F142-V165 HydrophobicContact CG-CG1 4.35Å; T143-V165 PolarHBondContact O-N 2.8Å; D144-V165 WeakPolarHBondContact CA-O 3.39Å; D144-V165 WeakPolarHBondContact CB-O 3.26Å; V165-I181 HydrophobicContact CB-CD1 4.44Å; V165-I181 HydrophobicContact CG1-CD1 3.94Å
166P82.3Confident79.8Confident80 Ų8061.8 Ų61.852%0.51934%0.34SS..  trans-73.7143.2179.826.6-26.9000109.9R177P166-R177 PolarHBondContact O-NH1 2.87Å
167N73.1Confident79Confident89 Ų8960.2 Ų60.248%0.47631%0.312SS..  trans-65.4150.6171.1-160.7-14.8000110.3V113 D144V113-N167 HydrophobicContact CG1-CB 4.37Å; D144-N167 HydrophobicContact CB-CB 3.9Å; D144-N167 WeakPolarHBondContact OD2-CB 3.42Å; D144-N167 VanDerWaalsContact OD2-CG 3.25Å; D144-N167 PolarHBondContact OD2-ND2 2.83Å
168S65.8Low78.6Confident15 Ų1559.3 Ų59.311%0.10529%0.291CS..  trans-117147.1169.4167.60000110.2R170 E173S168-R170 PolarHBondContact O-N 3.06Å; S168-R170 PolarHBondContact OG-N 2.79Å; S168-R170 VanDerWaalsContact OG-N 3.11Å; S168-R170 PolarHBondContact OG-O 3.28Å; S168-E173 WeakPolarHBondContact OG-CB 3.42Å; S168-E173 PolarHBondContact OG-OE2 3.28Å
169K59.4Low78.4Confident188 Ų18858.5 Ų58.582%0.81729%0.288SS*.SBendtrans-68.1-14.4175.3-64.5-177.1179.1179.90112.8N343K169-N343 PolarHBondContact O-ND2 3.03Å
170R62.8Low78.1Confident91 Ų9157.7 Ų57.734%0.34329%0.285SS..SBendtrans-126.4120.9-175.8-156.7168.377.7109.714.1110.1S168 Q172 E173 I174 E287S168-R170 PolarHBondContact O-N 3.06Å; S168-R170 PolarHBondContact OG-N 2.79Å; S168-R170 VanDerWaalsContact OG-N 3.11Å; S168-R170 PolarHBondContact OG-O 3.28Å; R170-Q172 PolarHBondContact O-N 3.22Å; R170-E173 HydrophobicContact CB-CB 4.45Å; R170-E173 HydrophobicContact CB-CG 4.11Å; R170-E173 IonicContact CZ-OE1 2.72Å; R170-E173 IonicContact NE-OE1 3.64Å; R170-E173 PolarHBondContact NE-OE1 2.78Å; R170-E173 WeakPolarHBondContact O-CB 3.45Å; R170-E173 PolarHBondContact O-N 2.84Å; R170-E173 VanDerWaalsContact O-N 3.09Å; R170-I174 PolarHBondContact O-N 3.34Å; R170-E287 IonicContact CZ-OE2 2.63Å; R170-E287 VanDerWaalsContact CZ-OE2 3.27Å; R170-E287 IonicContact NH1-OE2 3.45Å; R170-E287 PolarHBondContact NH1-OE2 2.8Å; R170-E287 IonicContact NH2-OE2 2.67Å; R170-E287 PolarHBondContact NH2-OE2 3.49Å
171W58.9Low77.9Confident54 Ų5456.6 Ų56.621%0.20528%0.279CS..Hα-helixtrans-64.7-27.1-174.771.2-96.2000112.8E173 I174 S175 N343W171-E173 VanDerWaalsContact C-N 3.32Å; W171-E173 PolarHBondContact O-N 2.96Å; W171-I174 WeakPolarHBondContact O-CB 3.2Å; W171-I174 PolarHBondContact O-N 2.91Å; W171-S175 PolarHBondContact O-N 2.78Å; W171-S175 VanDerWaalsContact O-N 3.1Å; W171-N343 VanDerWaalsContact CD1-O 3.23Å; W171-N343 PolarHBondContact NE1-O 3.33Å
172Q56Low77.8Confident33 Ų3355.1 Ų55.115%0.15427%0.27CS..Hα-helixtrans-65.6-34.1175.5-62.190.8-28.400112.3R170 S175 A176 Q291R170-Q172 PolarHBondContact O-N 3.22Å; Q172-S175 WeakPolarHBondContact O-CB 3.35Å; Q172-S175 PolarHBondContact O-N 3.18Å; Q172-A176 PolarHBondContact O-N 2.92Å; Q172-A176 VanDerWaalsContact O-N 3.08Å; Q172-Q291 HydrophobicContact CB-CG 4.13Å; Q172-Q291 HydrophobicContact CG-CG 3.91Å
173E67Low77.7Confident83 Ų8353.2 Ų53.239%0.38826%0.257SS..Hα-helixtrans-70.7-34.2173.3-70.7165.6-153.100111.4S168 R170 W171 S175 R177S168-E173 WeakPolarHBondContact OG-CB 3.42Å; S168-E173 PolarHBondContact OG-OE2 3.28Å; R170-E173 HydrophobicContact CB-CB 4.45Å; R170-E173 HydrophobicContact CB-CG 4.11Å; R170-E173 IonicContact CZ-OE1 2.72Å; R170-E173 IonicContact NE-OE1 3.64Å; R170-E173 PolarHBondContact NE-OE1 2.78Å; R170-E173 WeakPolarHBondContact O-CB 3.45Å; R170-E173 PolarHBondContact O-N 2.84Å; R170-E173 VanDerWaalsContact O-N 3.09Å; W171-E173 VanDerWaalsContact C-N 3.32Å; W171-E173 PolarHBondContact O-N 2.96Å; E173-S175 PolarHBondContact O-N 2.93Å; E173-R177 WeakPolarHBondContact O-CB 3.34Å; E173-R177 WeakPolarHBondContact O-CD 3.14Å; E173-R177 WeakPolarHBondContact O-CG 3.23Å; E173-R177 PolarHBondContact O-N 3.22Å
174I66.3Low77.6Confident36 Ų3650.1 Ų50.119%0.18525%0.25CC..Hα-helixtrans-60-40.9171.8-57.1175.7000109.3V113 R170 W171 R177 R178V113-I174 HydrophobicContact CB-CD1 4.35Å; V113-I174 HydrophobicContact CB-CG2 4.35Å; V113-I174 HydrophobicContact CG1-CD1 3.85Å; V113-I174 HydrophobicContact CG2-CG2 4.27Å; R170-I174 PolarHBondContact O-N 3.34Å; W171-I174 WeakPolarHBondContact O-CB 3.2Å; W171-I174 PolarHBondContact O-N 2.91Å; I174-R177 PolarHBondContact O-N 3.03Å; I174-R178 WeakPolarHBondContact O-CG 3.43Å; I174-R178 PolarHBondContact O-N 2.95Å
175S61.1Low77.8Confident4 Ų446.2 Ų46.23%0.02822%0.222CC..Hα-helixtrans-66.9-46.3-179.1-152.90000113.8W171 Q172 E173 R177 R178 E292W171-S175 PolarHBondContact O-N 2.78Å; W171-S175 VanDerWaalsContact O-N 3.1Å; Q172-S175 WeakPolarHBondContact O-CB 3.35Å; Q172-S175 PolarHBondContact O-N 3.18Å; E173-S175 PolarHBondContact O-N 2.93Å; S175-R177 VanDerWaalsContact C-N 3.31Å; S175-R177 PolarHBondContact O-N 2.95Å; S175-R178 VanDerWaalsContact O-CB 3.27Å; S175-R178 WeakPolarHBondContact O-CB 3.37Å; S175-R178 PolarHBondContact O-N 3.27Å; S175-R178 VanDerWaalsContact O-N 3.11Å; S175-R178 PolarHBondContact OG-NE 2.72Å; S175-R178 PolarHBondContact OG-NH2 2.9Å; S175-E292 WeakPolarHBondContact CB-OE2 3.45Å; S175-E292 PolarHBondContact OG-OE1 3.49Å; S175-E292 PolarHBondContact OG-OE2 3.45Å
176A65.9Low78.1Confident14 Ų1445.5 Ų45.512%0.11622%0.218CC..Hα-helixtrans-62.1-38.817500000112.8Q172 R178 M179 F278Q172-A176 PolarHBondContact O-N 2.92Å; Q172-A176 VanDerWaalsContact O-N 3.08Å; A176-R178 PolarHBondContact O-N 3Å; A176-M179 PolarHBondContact O-N 3.45Å; A176-F278 HydrophobicContact CB-CD1 3.44Å; A176-F278 VanDerWaalsContact CB-CD1 3.44Å; A176-F278 HydrophobicContact CB-CD2 4Å; A176-F278 HydrophobicContact CB-CE1 3.19Å; A176-F278 HydrophobicContact CB-CE2 3.77Å; A176-F278 HydrophobicContact CB-CG 3.85Å; A176-F278 HydrophobicContact CB-CZ 3.38Å
177R79.1Confident78.6Confident73 Ų7344.4 Ų44.428%0.27521%0.206SC..Hα-helixtrans-65.7-19.6176.4-70.6177.388.5-146.32.8112.8P166 E173 I174 S175 M179 E180 I181P166-R177 PolarHBondContact O-NH1 2.87Å; E173-R177 WeakPolarHBondContact O-CB 3.34Å; E173-R177 WeakPolarHBondContact O-CD 3.14Å; E173-R177 WeakPolarHBondContact O-CG 3.23Å; E173-R177 PolarHBondContact O-N 3.22Å; I174-R177 PolarHBondContact O-N 3.03Å; S175-R177 VanDerWaalsContact C-N 3.31Å; S175-R177 PolarHBondContact O-N 2.95Å; R177-M179 VanDerWaalsContact C-N 3.34Å; R177-M179 PolarHBondContact O-N 2.92Å; R177-E180 PolarHBondContact O-N 2.85Å; R177-I181 HydrophobicContact CB-CD1 4.21Å; R177-I181 VanDerWaalsContact O-CB 3.29Å; R177-I181 WeakPolarHBondContact O-CB 3.36Å; R177-I181 WeakPolarHBondContact O-CD1 3.45Å; R177-I181 WeakPolarHBondContact O-CG1 3.33Å; R177-I181 PolarHBondContact O-N 2.92Å
178R87.9Confident79.6Confident35 Ų3547.4 Ų47.413%0.13222%0.217CC..Hα-helixtrans-59.8-45.8174-63.6-169.2-74174.3-9.3111.4F111 I174 S175 A176 I181 I182 D201 E292F111-R178 HydrophobicContact CD1-CG 3.89Å; F111-R178 HydrophobicContact CD2-CB 4.41Å; F111-R178 HydrophobicContact CD2-CG 3.81Å; F111-R178 HydrophobicContact CE1-CB 4.26Å; F111-R178 HydrophobicContact CE1-CG 3.9Å; F111-R178 HydrophobicContact CE2-CB 3.93Å; F111-R178 HydrophobicContact CE2-CG 3.83Å; F111-R178 HydrophobicContact CG-CG 3.86Å; F111-R178 HydrophobicContact CZ-CB 3.85Å; F111-R178 HydrophobicContact CZ-CG 3.88Å; I174-R178 WeakPolarHBondContact O-CG 3.43Å; I174-R178 PolarHBondContact O-N 2.95Å; S175-R178 VanDerWaalsContact O-CB 3.27Å; S175-R178 WeakPolarHBondContact O-CB 3.37Å; S175-R178 PolarHBondContact O-N 3.27Å; S175-R178 VanDerWaalsContact O-N 3.11Å; S175-R178 PolarHBondContact OG-NE 2.72Å; S175-R178 PolarHBondContact OG-NH2 2.9Å; A176-R178 PolarHBondContact O-N 3Å; R178-I181 PolarHBondContact O-N 2.81Å; R178-I182 HydrophobicContact CB-CD1 4.48Å; R178-I182 WeakPolarHBondContact O-CB 3.36Å; R178-I182 VanDerWaalsContact O-CD1 3.31Å; R178-I182 WeakPolarHBondContact O-CD1 3.41Å; R178-I182 WeakPolarHBondContact O-CG1 3.45Å; R178-I182 PolarHBondContact O-N 3.47Å; R178-D201 IonicContact CZ-OD1 2.97Å; R178-D201 IonicContact NH1-OD1 3.98Å; R178-D201 PolarHBondContact NH1-OD1 2.71Å; R178-E292 IonicContact CZ-OE1 3.71Å; R178-E292 IonicContact NH2-OE1 2.93Å; R178-E292 PolarHBondContact NH2-OE1 3.29Å; R178-E292 IonicContact NH2-OE2 3.27Å
179M92.8Very high80.9Confident5 Ų548.7 Ų48.73%0.02522%0.224CC..Hα-helixtrans-65.4-42-179.7-65.8-60.5-178.200111.7A176 R177 Q183 F260 L270 A271 C274 R275 E292 L296A176-M179 PolarHBondContact O-N 3.45Å; R177-M179 VanDerWaalsContact C-N 3.34Å; R177-M179 PolarHBondContact O-N 2.92Å; M179-Q183 WeakPolarHBondContact O-CB 3.33Å; M179-Q183 PolarHBondContact O-N 3.48Å; M179-F260 HydrophobicContact CE-CE1 4.21Å; M179-F260 HydrophobicContact CE-CZ 3.95Å; M179-F260 HydrophobicContact SD-CZ 4.15Å; M179-L270 HydrophobicContact CE-CD2 4Å; M179-L270 HydrophobicContact SD-CD2 4.04Å; M179-A271 HydrophobicContact SD-CB 4.25Å; M179-C274 HydrophobicContact CE-CB 4.17Å; M179-C274 HydrophobicContact CG-CB 3.91Å; M179-C274 HydrophobicContact SD-CB 4.13Å; M179-R275 HydrophobicContact CB-CB 4.11Å; M179-E292 HydrophobicContact CE-CB 4.35Å; M179-E292 HydrophobicContact CE-CG 4.48Å; M179-L296 HydrophobicContact CE-CD1 4.37Å
180E91.9Very high82.5Confident61 Ų6139.8 Ų39.829%0.28519%0.185SC..Hα-helixtrans-58.8-50.3171.9164.8172.8-130.400111.9R177 I182 Q183 T184 R275R177-E180 PolarHBondContact O-N 2.85Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 2.9Å; E180-Q183 WeakPolarHBondContact O-CB 3.38Å; E180-Q183 PolarHBondContact O-N 3.37Å; E180-T184 PolarHBondContact O-N 3.25Å; E180-T184 PolarHBondContact O-OG1 3.21Å; E180-R275 HydrophobicContact CB-CG 4.42Å; E180-R275 IonicContact OE1-CZ 2.79Å; E180-R275 IonicContact OE1-NH1 3.48Å; E180-R275 IonicContact OE1-NH2 2.71Å; E180-R275 PolarHBondContact OE1-NH2 3.02Å
181I93.5Very high83.6Confident25 Ų2537 Ų3713%0.12818%0.176CC..Hα-helixtrans-65-39.2-177.3-71.2163.6000111.1F111 F142 V165 R177 R178 L185F111-I181 HydrophobicContact CE1-CB 3.95Å; F111-I181 HydrophobicContact CE1-CD1 3.75Å; F111-I181 HydrophobicContact CE1-CG1 4.46Å; F111-I181 HydrophobicContact CE1-CG2 3.75Å; F111-I181 HydrophobicContact CZ-CB 4.02Å; F111-I181 HydrophobicContact CZ-CG2 3.8Å; F142-I181 HydrophobicContact CD1-CG2 3.44Å; F142-I181 VanDerWaalsContact CD1-CG2 3.44Å; F142-I181 HydrophobicContact CD2-CG2 4.17Å; F142-I181 HydrophobicContact CE1-CG2 3.18Å; F142-I181 HydrophobicContact CE2-CG2 3.96Å; F142-I181 HydrophobicContact CG-CG2 3.92Å; F142-I181 HydrophobicContact CZ-CG2 3.46Å; F142-I181 VanDerWaalsContact CZ-CG2 3.46Å; V165-I181 HydrophobicContact CB-CD1 4.44Å; V165-I181 HydrophobicContact CG1-CD1 3.94Å; R177-I181 HydrophobicContact CB-CD1 4.21Å; R177-I181 VanDerWaalsContact O-CB 3.29Å; R177-I181 WeakPolarHBondContact O-CB 3.36Å; R177-I181 WeakPolarHBondContact O-CD1 3.45Å; R177-I181 WeakPolarHBondContact O-CG1 3.33Å; R177-I181 PolarHBondContact O-N 2.92Å; R178-I181 PolarHBondContact O-N 2.81Å; I181-L185 WeakPolarHBondContact O-CB 3.17Å; I181-L185 PolarHBondContact O-N 3.02Å
182I95.4Very high84.8Confident2 Ų241.6 Ų41.61%0.0120%0.204CC..Hα-helixtrans-63.4-46.7174.7-70.2160.2000110.1F111 R178 E180 L185 I186 C199 F260 V267 A271F111-I182 HydrophobicContact CE2-CD1 4.34Å; F111-I182 HydrophobicContact CE2-CG1 4.33Å; F111-I182 HydrophobicContact CZ-CG1 4.28Å; R178-I182 HydrophobicContact CB-CD1 4.48Å; R178-I182 WeakPolarHBondContact O-CB 3.36Å; R178-I182 VanDerWaalsContact O-CD1 3.31Å; R178-I182 WeakPolarHBondContact O-CD1 3.41Å; R178-I182 WeakPolarHBondContact O-CG1 3.45Å; R178-I182 PolarHBondContact O-N 3.47Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 2.9Å; I182-L185 PolarHBondContact O-N 3.45Å; I182-I186 HydrophobicContact CG2-CD1 3.82Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.48Å; I182-I186 PolarHBondContact O-N 3.46Å; I182-C199 HydrophobicContact CD1-CB 4.03Å; I182-C199 VanDerWaalsContact CD1-SG 3.55Å; I182-F260 HydrophobicContact CD1-CZ 3.91Å; I182-V267 HydrophobicContact CG2-CG1 4.08Å; I182-A271 HydrophobicContact CB-CB 4.37Å; I182-A271 HydrophobicContact CG2-CB 4.01Å
183Q94.8Very high86.3Confident17 Ų1744.5 Ų44.58%0.07922%0.221CC..Hα-helixtrans-56-53.7177-176.9-162.6-12.300110.7M179 E180 L185 I186 E187 A271 Q272 R275M179-Q183 WeakPolarHBondContact O-CB 3.33Å; M179-Q183 PolarHBondContact O-N 3.48Å; E180-Q183 WeakPolarHBondContact O-CB 3.38Å; E180-Q183 PolarHBondContact O-N 3.37Å; Q183-L185 PolarHBondContact O-N 2.87Å; Q183-I186 PolarHBondContact O-N 3.2Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.48Å; Q183-E187 PolarHBondContact NE2-OE1 3.13Å; Q183-E187 WeakPolarHBondContact O-CB 3.36Å; Q183-E187 WeakPolarHBondContact O-CG 3.49Å; Q183-E187 PolarHBondContact O-N 3.4Å; Q183-A271 HydrophobicContact CB-CB 4.28Å; Q183-Q272 HydrophobicContact CG-CB 4.47Å; Q183-R275 VanDerWaalsContact OE1-NH1 3.11Å
184T94.2Very high87.6Confident41 Ų4140.8 Ų40.825%0.25220%0.204SC..Hα-helixtrans-62.5-42.8-179.9-60.10000112E180 I186 E187 E188E180-T184 PolarHBondContact O-N 3.25Å; E180-T184 PolarHBondContact O-OG1 3.21Å; T184-I186 VanDerWaalsContact C-N 3.31Å; T184-I186 PolarHBondContact O-N 3.47Å; T184-E187 PolarHBondContact O-N 2.95Å; T184-E188 HydrophobicContact CG2-CG 4.07Å; T184-E188 WeakPolarHBondContact CG2-OE1 3.33Å; T184-E188 WeakPolarHBondContact CG2-OE2 3.16Å; T184-E188 WeakPolarHBondContact O-CB 3.41Å; T184-E188 WeakPolarHBondContact O-CG 3.48Å; T184-E188 PolarHBondContact O-N 2.84Å
185L95.6Very high89Confident9 Ų939.9 Ų39.95%0.04720%0.199CC..Hα-helixtrans-56.7-47.3176.4176.670.1000110.9T109 Y140 F142 I181 I182 Q183 T189 L190 I197T109-L185 HydrophobicContact CG2-CD2 3.54Å; Y140-L185 HydrophobicContact CD1-CD1 3.65Å; Y140-L185 HydrophobicContact CD1-CD2 4.34Å; Y140-L185 HydrophobicContact CD2-CD2 4.21Å; Y140-L185 HydrophobicContact CE1-CD1 3.76Å; Y140-L185 HydrophobicContact CG-CD1 4.17Å; Y140-L185 HydrophobicContact CG-CD2 3.99Å; F142-L185 HydrophobicContact CE2-CD2 4.15Å; F142-L185 HydrophobicContact CZ-CB 4.28Å; F142-L185 HydrophobicContact CZ-CD1 4.2Å; F142-L185 HydrophobicContact CZ-CD2 3.89Å; F142-L185 HydrophobicContact CZ-CG 4.31Å; I181-L185 WeakPolarHBondContact O-CB 3.17Å; I181-L185 PolarHBondContact O-N 3.02Å; I182-L185 PolarHBondContact O-N 3.45Å; Q183-L185 PolarHBondContact O-N 2.87Å; L185-T189 HydrophobicContact CD1-CG2 4.31Å; L185-T189 WeakPolarHBondContact O-CA 3.41Å; L185-T189 WeakPolarHBondContact O-CB 3.21Å; L185-T189 PolarHBondContact O-N 2.81Å; L185-L190 HydrophobicContact CD1-CD2 4.16Å; L185-L190 HydrophobicContact CD1-CG 4.39Å; L185-L190 HydrophobicContact CD2-CD1 3.83Å; L185-L190 HydrophobicContact CD2-CD2 4.42Å; L185-L190 HydrophobicContact CD2-CG 4.3Å; L185-L190 HydrophobicContact CG-CD1 3.9Å; L185-L190 HydrophobicContact CG-CD2 4.12Å; L185-L190 HydrophobicContact CG-CG 3.87Å; L185-L190 PolarHBondContact O-N 2.91Å; L185-I197 HydrophobicContact CD2-CD1 4.44Å
186I95.8Very high90.8Very high0 Ų040.1 Ų40.10%020%0.2CC..Iπ-helixtrans-63-47178.4-67166.6000110F47 I182 Q183 T184 E188 L190 K191 I197 L264 V267 H268F47-I186 HydrophobicContact CE1-CG2 3.47Å; F47-I186 VanDerWaalsContact CE1-CG2 3.47Å; F47-I186 HydrophobicContact CZ-CG2 3.95Å; I182-I186 HydrophobicContact CG2-CD1 3.82Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.48Å; I182-I186 PolarHBondContact O-N 3.46Å; Q183-I186 PolarHBondContact O-N 3.2Å; T184-I186 VanDerWaalsContact C-N 3.31Å; T184-I186 PolarHBondContact O-N 3.47Å; I186-E188 PolarHBondContact O-N 3.33Å; I186-L190 HydrophobicContact CG1-CD1 4.07Å; I186-K191 WeakPolarHBondContact O-CG 3.24Å; I186-K191 PolarHBondContact O-N 2.98Å; I186-I197 HydrophobicContact CD1-CD1 4.32Å; I186-I197 HydrophobicContact CG1-CD1 4.15Å; I186-L264 HydrophobicContact CG1-CD2 4.37Å; I186-L264 HydrophobicContact CG2-CB 4.14Å; I186-V267 HydrophobicContact CD1-CB 4.22Å; I186-V267 HydrophobicContact CD1-CG1 4.01Å; I186-H268 HydrophobicContact CD1-CB 4.09Å; I186-H268 HydrophobicContact CG2-CB 3.96Å
187E93.8Very high92.3Very high57 Ų5739.5 Ų39.527%0.26619%0.194SC..Iπ-helixtrans-62.9-39.5-176.3-77.4170.4-179.100114.2Q183 T184 K191 H268Q183-E187 WeakPolarHBondContact CG-OE1 3.48Å; Q183-E187 PolarHBondContact NE2-OE1 3.13Å; Q183-E187 WeakPolarHBondContact O-CB 3.36Å; Q183-E187 WeakPolarHBondContact O-CG 3.49Å; Q183-E187 PolarHBondContact O-N 3.4Å; T184-E187 PolarHBondContact O-N 2.95Å; E187-K191 WeakPolarHBondContact O-CD 3.42Å; E187-K191 WeakPolarHBondContact O-CE 3.32Å; E187-K191 PolarHBondContact O-NZ 2.97Å; E187-H268 WeakPolarHBondContact CG-NE2 3.36Å; E187-H268 IonicContact OE1-CD2 3.19Å; E187-H268 IonicContact OE1-CE1 3.48Å; E187-H268 IonicContact OE1-NE2 2.69Å; E187-H268 PolarHBondContact OE1-NE2 3.28Å
188E92.7Very high93.2Very high152 Ų15236 Ų3671%0.7118%0.181SC*.Iπ-helixtrans-102.4-29.8-169.6-62.5-178.2170.200113.3T184 I186T184-E188 HydrophobicContact CG2-CG 4.07Å; T184-E188 WeakPolarHBondContact CG2-OE1 3.33Å; T184-E188 WeakPolarHBondContact CG2-OE2 3.16Å; T184-E188 WeakPolarHBondContact O-CB 3.41Å; T184-E188 WeakPolarHBondContact O-CG 3.48Å; T184-E188 PolarHBondContact O-N 2.84Å; I186-E188 PolarHBondContact O-N 3.33Å
189T93.6Very high93.7Very high43 Ų4334.6 Ų34.626%0.26418%0.177SC..Iπ-helixtrans-118.4-43.1-168.9-52.80000113.6Y140 R163 L185Y140-T189 HydrophobicContact CE1-CG2 4.11Å; R163-T189 PolarHBondContact NH2-OG1 2.79Å; L185-T189 HydrophobicContact CD1-CG2 4.31Å; L185-T189 WeakPolarHBondContact O-CA 3.41Å; L185-T189 WeakPolarHBondContact O-CB 3.21Å; L185-T189 PolarHBondContact O-N 2.81Å
190L93.4Very high94Very high0 Ų034.6 Ų34.60%018%0.177CC..Iπ-helixtrans-90.1-24-163.4-53.7-171.7000115.2A107 Y140 L185 I186 N192 D193 V194 I197 L264A107-L190 HydrophobicContact CB-CD1 4.1Å; Y140-L190 HydrophobicContact CD2-CD2 4.33Å; Y140-L190 HydrophobicContact CE1-CD2 4.25Å; Y140-L190 HydrophobicContact CE2-CD2 3.44Å; Y140-L190 VanDerWaalsContact CE2-CD2 3.44Å; Y140-L190 VanDerWaalsContact OH-CD2 3.23Å; Y140-L190 WeakPolarHBondContact OH-CD2 3.39Å; L185-L190 HydrophobicContact CD1-CD2 4.16Å; L185-L190 HydrophobicContact CD1-CG 4.39Å; L185-L190 HydrophobicContact CD2-CD1 3.83Å; L185-L190 HydrophobicContact CD2-CD2 4.42Å; L185-L190 HydrophobicContact CD2-CG 4.3Å; L185-L190 HydrophobicContact CG-CD1 3.9Å; L185-L190 HydrophobicContact CG-CD2 4.12Å; L185-L190 HydrophobicContact CG-CG 3.87Å; L185-L190 PolarHBondContact O-N 2.91Å; I186-L190 HydrophobicContact CG1-CD1 4.07Å; L190-N192 PolarHBondContact O-N 3.44Å; L190-D193 PolarHBondContact O-N 2.87Å; L190-D193 VanDerWaalsContact O-N 3.1Å; L190-V194 HydrophobicContact CB-CB 4.15Å; L190-V194 HydrophobicContact CB-CG2 4.35Å; L190-V194 HydrophobicContact CD2-CG2 4.03Å; L190-V194 PolarHBondContact O-N 3.2Å; L190-I197 HydrophobicContact CD1-CD1 3.61Å; L190-I197 HydrophobicContact CD1-CG1 4.42Å; L190-L264 HydrophobicContact CB-CD1 3.81Å; L190-L264 HydrophobicContact CB-CD2 4.08Å; L190-L264 HydrophobicContact CD1-CD2 4.02Å; L190-L264 WeakPolarHBondContact O-CD1 3.34Å
191K85.9Confident94.2Very high34 Ų3433.7 Ų33.715%0.14817%0.174CC..THydrogen-bonded Turntrans-45-35.2-169-87.8169-176.7162.40115.9H45 F47 I186 E187H45-K191 PolarHBondContact ND1-NZ 2.88Å; F47-K191 HydrophobicContact CD1-CG 3.86Å; F47-K191 HydrophobicContact CE1-CD 4.19Å; F47-K191 HydrophobicContact CE1-CG 3.48Å; F47-K191 VanDerWaalsContact CE1-CG 3.48Å; F47-K191 HydrophobicContact CZ-CG 4.33Å; I186-K191 WeakPolarHBondContact O-CG 3.24Å; I186-K191 PolarHBondContact O-N 2.98Å; E187-K191 WeakPolarHBondContact O-CD 3.42Å; E187-K191 WeakPolarHBondContact O-CE 3.32Å; E187-K191 PolarHBondContact O-NZ 2.97Å
192N83.4Confident94.3Very high149 Ų14932.7 Ų32.780%0.79717%0.169SC*.THydrogen-bonded Turntrans-102.8-16.8-171.9-61.1-33.2000114.4L190L190-N192 PolarHBondContact O-N 3.44Å
193D88.4Confident94.3Very high94 Ų9433.2 Ų33.250%0.50317%0.172SC..THydrogen-bonded Turntrans-124-8.5-162.7-75.40.4000114T105 K138 L190T105-D193 WeakPolarHBondContact CB-O 3.33Å; T105-D193 WeakPolarHBondContact CG2-O 3.16Å; K138-D193 IonicContact NZ-OD2 3.56Å; L190-D193 PolarHBondContact O-N 2.87Å; L190-D193 VanDerWaalsContact O-N 3.1Å
194V94.8Very high94.4Very high5 Ų532.5 Ų32.53%0.0317%0.169CC..  trans-131.7135.9-173.1175.50000109.5T105 A107 K138 L190 Y196 L264T105-V194 HydrophobicContact CG2-CG2 4.21Å; A107-V194 HydrophobicContact CB-CG1 3.67Å; A107-V194 HydrophobicContact CB-CG2 4.3Å; K138-V194 HydrophobicContact CD-CG2 3.92Å; L190-V194 HydrophobicContact CB-CB 4.15Å; L190-V194 HydrophobicContact CB-CG2 4.35Å; L190-V194 HydrophobicContact CD2-CG2 4.03Å; L190-V194 PolarHBondContact O-N 3.2Å; V194-Y196 WeakPolarHBondContact CG1-O 3.5Å; V194-L264 HydrophobicContact CB-CD1 4.29Å; V194-L264 HydrophobicContact CG1-CD2 4.03Å; V194-L264 WeakPolarHBondContact O-CD1 3.46Å
195D95.3Very high94.6Very high17 Ų1733.4 Ų33.49%0.09117%0.169CC..SBendtrans-96.5-35.3179.8-53-77.7000111.4R48 I104 T105R48-D195 IonicContact CZ-OD1 3.25Å; R48-D195 IonicContact NH1-OD1 3.82Å; R48-D195 PolarHBondContact NH1-OD1 2.93Å; I104-D195 VanDerWaalsContact CA-OD2 3.22Å; I104-D195 WeakPolarHBondContact CA-OD2 3.1Å; I104-D195 HydrophobicContact CB-CB 4.48Å; T105-D195 PolarHBondContact N-OD2 2.84Å; T105-D195 PolarHBondContact O-N 3.47Å
196Y97.7Very high94.8Very high10 Ų1033 Ų334%0.03917%0.167CC..EExtended strand (participates in β ladder)trans-136.4151.7-178.2-61.4-89.6000112P50 I104 T105 V106 A107 V194 L215 G262 V263P50-Y196 WeakPolarHBondContact CB-OH 3.49Å; P50-Y196 HydrophobicContact CG-CE1 4.24Å; I104-Y196 HydrophobicContact CD1-CD2 4.44Å; I104-Y196 HydrophobicContact CD1-CE2 4.46Å; I104-Y196 HydrophobicContact CG2-CE2 4.34Å; T105-Y196 PolarHBondContact O-N 2.85Å; V106-Y196 CarbonylContact C-O 3.56Å; V106-Y196 WeakPolarHBondContact CA-O 3.36Å; A107-Y196 PolarHBondContact N-O 3.47Å; V194-Y196 WeakPolarHBondContact CG1-O 3.5Å; Y196-L215 HydrophobicContact CD1-CB 4.44Å; Y196-L215 HydrophobicContact CD1-CD2 3.78Å; Y196-L215 HydrophobicContact CD2-CD1 4.34Å; Y196-L215 HydrophobicContact CD2-CD2 3.79Å; Y196-L215 HydrophobicContact CE1-CB 4.13Å; Y196-L215 HydrophobicContact CE1-CD2 4.23Å; Y196-L215 HydrophobicContact CE2-CD1 4.12Å; Y196-L215 HydrophobicContact CE2-CD2 4.24Å; Y196-L215 HydrophobicContact CG-CD2 3.54Å; Y196-G262 CarbonylContact C-O 3.54Å; Y196-G262 VanDerWaalsContact CA-O 3.3Å; Y196-G262 WeakPolarHBondContact CA-O 3.38Å; Y196-V263 HydrophobicContact CD1-CG1 3.83Å; Y196-V263 HydrophobicContact CE1-CG1 3.49Å; Y196-V263 VanDerWaalsContact CE1-CG1 3.49Å
197I98.6Very high94.9Very high0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-131.2138.5175.5-171.5175.8000110.7A107 T109 L185 I186 L190 G261 G262 L264 V267A107-I197 HydrophobicContact CB-CB 4.24Å; A107-I197 HydrophobicContact CB-CG1 3.96Å; A107-I197 CarbonylContact O-C 3.47Å; A107-I197 WeakPolarHBondContact O-CA 3.34Å; T109-I197 HydrophobicContact CG2-CD1 3.67Å; T109-I197 HydrophobicContact CG2-CG1 4.11Å; L185-I197 HydrophobicContact CD2-CD1 4.44Å; I186-I197 HydrophobicContact CD1-CD1 4.32Å; I186-I197 HydrophobicContact CG1-CD1 4.15Å; L190-I197 HydrophobicContact CD1-CD1 3.61Å; L190-I197 HydrophobicContact CD1-CG1 4.42Å; I197-G261 CarbonylContact O-C 3.21Å; I197-G261 WeakPolarHBondContact O-CA 3.26Å; I197-G262 PolarHBondContact N-O 3.11Å; I197-G262 PolarHBondContact O-N 3.34Å; I197-L264 HydrophobicContact CB-CD2 3.93Å; I197-L264 HydrophobicContact CG2-CD2 3.89Å; I197-V267 HydrophobicContact CG2-CB 3.67Å; I197-V267 HydrophobicContact CG2-CG1 3.72Å; I197-V267 HydrophobicContact CG2-CG2 3.66Å
198F98.8Very high95.1Very high1 Ų136 Ų360%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-117.7132.8166.8-73.6-86.9000109.6V106 A107 A108 T109 F131 F132 L200 W210 S214 L215 V219 F260V106-F198 HydrophobicContact CG1-CD2 3.85Å; V106-F198 HydrophobicContact CG1-CE2 4.24Å; A107-F198 PolarHBondContact O-N 3.43Å; A108-F198 CarbonylContact C-O 3.58Å; A108-F198 VanDerWaalsContact CA-O 3.26Å; A108-F198 WeakPolarHBondContact CA-O 3.46Å; T109-F198 PolarHBondContact N-O 2.95Å; F131-F198 HydrophobicContact CE2-CB 4.45Å; F131-F198 HydrophobicContact CE2-CD2 4.36Å; F131-F198 HydrophobicContact CE2-CG 4.44Å; F131-F198 HydrophobicContact CZ-CB 4.17Å; F131-F198 HydrophobicContact CZ-CD2 4.05Å; F131-F198 HydrophobicContact CZ-CG 4.34Å; F132-F198 HydrophobicContact CE2-CD2 4.03Å; F132-F198 AromaticContact CE2-CE2 3.67Å; F132-F198 HydrophobicContact CE2-CE2 3.67Å; F132-F198 HydrophobicContact CE2-CZ 4.41Å; F132-F198 HydrophobicContact CZ-CD2 4.48Å; F132-F198 AromaticContact CZ-CE2 3.72Å; F132-F198 HydrophobicContact CZ-CE2 3.72Å; F132-F198 HydrophobicContact CZ-CZ 4.35Å; F198-L200 HydrophobicContact CB-CD2 4.44Å; F198-L200 HydrophobicContact CB-CG 4.3Å; F198-W210 AromaticContact CD1-CZ2 3.99Å; F198-W210 HydrophobicContact CD1-CZ2 3.99Å; F198-W210 HydrophobicContact CE1-CZ2 4.19Å; F198-W210 AromaticContact CE1-NE1 3.93Å; F198-S214 WeakPolarHBondContact CZ-OG 3.26Å; F198-L215 HydrophobicContact CE2-CD2 3.95Å; F198-L215 HydrophobicContact CZ-CD2 4.35Å; F198-V219 HydrophobicContact CE1-CB 4.34Å; F198-V219 HydrophobicContact CE1-CG1 4.08Å; F198-F260 CarbonylContact C-O 3.48Å; F198-F260 WeakPolarHBondContact CA-O 3.22Å
199C98.3Very high95.4Very high5 Ų531.5 Ų31.53%0.03416%0.161CC..EExtended strand (participates in β ladder)trans-106.6119.1176-55.70000108T109 I182 A259 F260T109-C199 WeakPolarHBondContact OG1-CA 3.28Å; T109-C199 WeakPolarHBondContact OG1-CB 3.1Å; T109-C199 PolarHBondContact OG1-SG 2.7Å; I182-C199 HydrophobicContact CD1-CB 4.03Å; I182-C199 VanDerWaalsContact CD1-SG 3.55Å; C199-A259 WeakPolarHBondContact O-CA 3.48Å; C199-F260 HydrophobicContact CB-CD1 4.1Å; C199-F260 HydrophobicContact CB-CD2 4.25Å; C199-F260 HydrophobicContact CB-CE1 3.63Å; C199-F260 HydrophobicContact CB-CE2 3.8Å; C199-F260 HydrophobicContact CB-CG 4.39Å; C199-F260 HydrophobicContact CB-CZ 3.47Å; C199-F260 VanDerWaalsContact CB-CZ 3.47Å; C199-F260 PolarHBondContact N-O 3Å; C199-F260 PolarHBondContact O-N 2.79Å; C199-F260 VanDerWaalsContact O-N 3.16Å
200L98.3Very high95.6Very high4 Ų429.5 Ų29.52%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-131.1141.4-167.1-58.1174.2000111.2T109 F123 F131 F198 F206 W210 G258 A259 F330T109-L200 PolarHBondContact O-N 3.32Å; F123-L200 HydrophobicContact CE2-CB 4.07Å; F123-L200 HydrophobicContact CE2-CD1 4.3Å; F123-L200 HydrophobicContact CZ-CB 4.16Å; F123-L200 HydrophobicContact CZ-CD1 4.06Å; F131-L200 HydrophobicContact CE2-CD1 4.24Å; F198-L200 HydrophobicContact CB-CD2 4.44Å; F198-L200 HydrophobicContact CB-CG 4.3Å; L200-F206 HydrophobicContact CD1-CZ 3.67Å; L200-W210 HydrophobicContact CD2-CH2 3.92Å; L200-W210 HydrophobicContact CD2-CZ2 4.27Å; L200-W210 HydrophobicContact CD2-CZ3 4.42Å; L200-G258 CarbonylContact C-O 3.55Å; L200-G258 WeakPolarHBondContact CA-O 3.38Å; L200-A259 HydrophobicContact CD2-CB 3.96Å; L200-F330 HydrophobicContact CB-CZ 4.31Å; L200-F330 HydrophobicContact CD2-CE1 4.34Å
201D95.7Very high95.9Very high42 Ų4229.6 Ų29.623%0.22515%0.149CC..EExtended strand (participates in β ladder)trans-72.9135.7172.5-80.6-7.2000111.5R178 D203 G258R178-D201 IonicContact CZ-OD1 2.97Å; R178-D201 IonicContact NH1-OD1 3.98Å; R178-D201 PolarHBondContact NH1-OD1 2.71Å; D201-D203 VanDerWaalsContact C-N 3.29Å; D201-D203 WeakPolarHBondContact CB-OD1 3.25Å; D201-D203 PolarHBondContact O-N 3.04Å; D201-G258 PolarHBondContact N-O 3.48Å; D201-G258 WeakPolarHBondContact OD2-CA 3.45Å
202V96.6Very high96.4Very high4 Ų428 Ų282%0.02414%0.142CC..SBendtrans-71.2-25-176.6730000113.2V110 F111 A112 Y116 F119 L120 S204V110-V202 HydrophobicContact CG2-CB 3.33Å; V110-V202 HydrophobicContact CG2-CG2 3.53Å; F111-V202 WeakPolarHBondContact O-CB 3.43Å; F111-V202 WeakPolarHBondContact O-CG1 3.35Å; A112-V202 HydrophobicContact CB-CG2 4.1Å; Y116-V202 HydrophobicContact CD1-CG1 3.86Å; Y116-V202 HydrophobicContact CG-CG1 4.37Å; F119-V202 HydrophobicContact CB-CG1 4.47Å; F119-V202 HydrophobicContact CB-CG2 4.27Å; F119-V202 VanDerWaalsContact CB-O 3.24Å; F119-V202 WeakPolarHBondContact CB-O 3.43Å; L120-V202 HydrophobicContact CB-CG2 4.1Å; L120-V202 HydrophobicContact CD1-CG2 3.98Å; V202-S204 PolarHBondContact O-N 2.82Å
203D95.3Very high97.2Very high13 Ų1321 Ų217%0.0711%0.105CC..SBendtrans-8439.6-176.163.6-1.9000111.9Y116 F119 D201 G332 V333 K335Y116-D203 HydrophobicContact CD1-CB 4.12Å; Y116-D203 HydrophobicContact CE1-CB 4.07Å; F119-D203 HydrophobicContact CD2-CB 3.67Å; F119-D203 HydrophobicContact CE2-CB 3.88Å; F119-D203 HydrophobicContact CG-CB 4.03Å; F119-D203 HydrophobicContact CZ-CB 4.4Å; D201-D203 VanDerWaalsContact C-N 3.29Å; D201-D203 WeakPolarHBondContact CB-OD1 3.25Å; D201-D203 PolarHBondContact O-N 3.04Å; D203-G332 WeakPolarHBondContact O-CA 3.47Å; D203-V333 WeakPolarHBondContact O-CG2 3.24Å; D203-V333 PolarHBondContact O-N 3.38Å; D203-K335 HydrophobicContact CB-CD 4.02Å; D203-K335 IonicContact OD1-NZ 3.01Å; D203-K335 WeakPolarHBondContact OD2-CD 3.33Å; D203-K335 WeakPolarHBondContact OD2-CE 3.35Å; D203-K335 IonicContact OD2-NZ 3.99Å; D203-K335 PolarHBondContact OD2-NZ 3Å
204S97.4Very high97.6Very high3 Ų316.6 Ų16.62%0.0218%0.081CC..EExtended strand (participates in β ladder)trans-142.5158.1-175.8-63.30000111V202 F330 S331 G332V202-S204 PolarHBondContact O-N 2.82Å; S204-F330 VanDerWaalsContact CB-CE2 3.46Å; S204-S331 CarbonylContact C-O 3.56Å; S204-S331 WeakPolarHBondContact CA-O 3.47Å; S204-S331 VanDerWaalsContact CB-O 3.29Å; S204-S331 WeakPolarHBondContact CB-O 3.4Å; S204-G332 WeakPolarHBondContact OG-CA 3.36Å
205K97.8Very high97.8Very high59 Ų5916.5 Ų16.526%0.2578%0.081SC..EExtended strand (participates in β ladder)trans-130.2148179.7-63.7-178-172.3-162.70111D122 T126 H207 F330 S331 V333D122-K205 HydrophobicContact CB-CD 3.99Å; D122-K205 VanDerWaalsContact CB-CE 3.43Å; D122-K205 HydrophobicContact CB-CG 4.1Å; D122-K205 VanDerWaalsContact CG-NZ 3.34Å; D122-K205 WeakPolarHBondContact OD2-CE 3.46Å; D122-K205 IonicContact OD2-NZ 3.65Å; D122-K205 PolarHBondContact OD2-NZ 2.86Å; T126-K205 HydrophobicContact CG2-CB 4.46Å; K205-H207 PolarHBondContact O-CD2 3.37Å; K205-H207 PolarHBondContact O-NE2 3.22Å; K205-F330 VanDerWaalsContact C-CD2 3.5Å; K205-F330 CarbonylContact O-C 3.6Å; K205-F330 VanDerWaalsContact O-CA 3.27Å; K205-F330 WeakPolarHBondContact O-CA 3.43Å; K205-F330 VanDerWaalsContact O-CD2 3.26Å; K205-F330 WeakPolarHBondContact O-CD2 3.41Å; K205-S331 PolarHBondContact N-O 3.35Å; K205-S331 PolarHBondContact O-N 3Å; K205-V333 HydrophobicContact CD-CG1 3.93Å; K205-V333 HydrophobicContact CG-CG1 3.72Å
206F98.8Very high97.8Very high2 Ų216.3 Ų16.31%0.0098%0.083CC..EExtended strand (participates in β ladder)trans-85.9140.6168.9-59.9-95.1000110.5F123 T126 A127 H130 F131 L200 W210 R329 F330F123-F206 HydrophobicContact CD2-CE2 4.28Å; F123-F206 AromaticContact CE2-CE2 3.87Å; F123-F206 HydrophobicContact CE2-CE2 3.87Å; F123-F206 HydrophobicContact CE2-CZ 4.46Å; F123-F206 HydrophobicContact CZ-CE2 4.11Å; T126-F206 VanDerWaalsContact CB-O 3.25Å; T126-F206 WeakPolarHBondContact CB-O 3.32Å; T126-F206 WeakPolarHBondContact CG2-O 3.29Å; T126-F206 PolarHBondContact OG1-N 3.21Å; A127-F206 HydrophobicContact CB-CD2 3.9Å; A127-F206 HydrophobicContact CB-CE2 3.71Å; H130-F206 HydrophobicContact CB-CB 3.69Å; H130-F206 HydrophobicContact CB-CG 4.39Å; H130-F206 PolarHBondContact CD2-O 3.04Å; F131-F206 HydrophobicContact CB-CD1 4.33Å; F131-F206 HydrophobicContact CB-CE1 3.94Å; F131-F206 HydrophobicContact CB-CE2 4.38Å; F131-F206 HydrophobicContact CB-CZ 3.95Å; F131-F206 AromaticContact CD2-CE1 3.58Å; F131-F206 HydrophobicContact CD2-CE1 3.58Å; F131-F206 AromaticContact CD2-CZ 3.69Å; F131-F206 HydrophobicContact CD2-CZ 3.69Å; F131-F206 HydrophobicContact CE2-CE1 4.48Å; F131-F206 HydrophobicContact CE2-CZ 4.46Å; F131-F206 HydrophobicContact CG-CE1 4.12Å; F131-F206 AromaticContact CG-CZ 3.98Å; F131-F206 HydrophobicContact CG-CZ 3.98Å; L200-F206 HydrophobicContact CD1-CZ 3.67Å; F206-W210 HydrophobicContact CD1-CB 4.21Å; F206-W210 HydrophobicContact CD1-CE3 4.18Å; F206-W210 HydrophobicContact CE1-CB 4.11Å; F206-W210 HydrophobicContact CE1-CD2 4.06Å; F206-W210 AromaticContact CE1-CE3 3.66Å; F206-W210 HydrophobicContact CE1-CE3 3.66Å; F206-W210 HydrophobicContact CE1-CG 4.26Å; F206-W210 HydrophobicContact CE1-CZ3 4.39Å; F206-R329 CarbonylContact C-O 3.33Å; F206-R329 VanDerWaalsContact CA-O 3.26Å; F206-R329 WeakPolarHBondContact CA-O 3.01Å; F206-F330 HydrophobicContact CB-CD2 4.5Å; F206-F330 HydrophobicContact CD1-CB 4.29Å; F206-F330 AromaticContact CD1-CD2 3.64Å; F206-F330 HydrophobicContact CD1-CD2 3.64Å; F206-F330 HydrophobicContact CD1-CE2 4.34Å; F206-F330 HydrophobicContact CD1-CG 4.31Å; F206-F330 AromaticContact CD2-CD2 3.86Å; F206-F330 HydrophobicContact CD2-CD2 3.86Å; F206-F330 AromaticContact CD2-CE2 3.88Å; F206-F330 HydrophobicContact CD2-CE2 3.88Å; F206-F330 AromaticContact CE1-CD2 3.7Å; F206-F330 HydrophobicContact CE1-CD2 3.7Å; F206-F330 HydrophobicContact CE1-CE2 4.11Å; F206-F330 HydrophobicContact CE1-CG 4.29Å; F206-F330 AromaticContact CE2-CD2 3.92Å; F206-F330 HydrophobicContact CE2-CD2 3.92Å; F206-F330 AromaticContact CE2-CE2 3.63Å; F206-F330 HydrophobicContact CE2-CE2 3.63Å; F206-F330 AromaticContact CG-CD2 3.73Å; F206-F330 HydrophobicContact CG-CD2 3.73Å; F206-F330 HydrophobicContact CG-CE2 4.25Å; F206-F330 AromaticContact CZ-CD2 3.87Å; F206-F330 HydrophobicContact CZ-CD2 3.87Å; F206-F330 AromaticContact CZ-CE2 3.77Å; F206-F330 HydrophobicContact CZ-CE2 3.77Å
207H98.3Very high97.8Very high85 Ų8519.7 Ų19.739%0.39410%0.099SC..  trans-127.5-15.3179.8-56.4-81.8000112.8K205 I328 R329 S331K205-H207 PolarHBondContact O-CD2 3.37Å; K205-H207 PolarHBondContact O-NE2 3.22Å; H207-I328 WeakPolarHBondContact CB-O 3.2Å; H207-R329 PolarHBondContact N-O 3.49Å; H207-S331 PolarHBondContact CD2-OG 2.99Å; H207-S331 PolarHBondContact NE2-OG 2.97Å
208S98.6Very high97.8Very high33 Ų3319.9 Ų19.923%0.23110%0.1CC..SBendtrans-157.6171.7179.5-1690000109.8H130 W210 V327 R329H130-S208 WeakPolarHBondContact CB-O 3.38Å; S208-W210 PolarHBondContact O-N 3.31Å; S208-V327 WeakPolarHBondContact OG-CG2 3.5Å; S208-R329 PolarHBondContact N-O 2.9Å
209R98.4Very high97.8Very high59 Ų5919.9 Ų19.922%0.22310%0.1CC..  trans-48.4128.6-175.3177.6-175.8170.198.92.3112.3D96 T212 E213 R329D96-R209 VanDerWaalsContact CG-NH2 3.3Å; D96-R209 IonicContact OD1-CZ 3.29Å; D96-R209 IonicContact OD1-NH1 3.61Å; D96-R209 IonicContact OD1-NH2 3.51Å; D96-R209 PolarHBondContact OD1-NH2 3.27Å; D96-R209 IonicContact OD2-CZ 2.63Å; D96-R209 IonicContact OD2-NH1 3.05Å; D96-R209 PolarHBondContact OD2-NH1 2.95Å; D96-R209 IonicContact OD2-NH2 3.86Å; D96-R209 PolarHBondContact OD2-NH2 2.93Å; R209-T212 PolarHBondContact NH2-OG1 3.06Å; R209-E213 IonicContact CZ-OE2 2.71Å; R209-E213 IonicContact NE-OE1 3.36Å; R209-E213 IonicContact NE-OE2 3.49Å; R209-E213 PolarHBondContact NE-OE2 3.19Å; R209-E213 IonicContact NH2-OE2 3.51Å; R209-E213 PolarHBondContact NH2-OE2 2.89Å; R209-R329 VanDerWaalsContact O-CD 3.25Å; R209-R329 WeakPolarHBondContact O-CD 3.38Å; R209-R329 WeakPolarHBondContact O-CG 3.39Å; R209-R329 PolarHBondContact O-NH1 2.97Å
210W98.8Very high97.8Very high1 Ų119.6 Ų19.60%0.00410%0.098CC..BIsolated β-bridgetrans-124.7106160.1-174.2-44.7000107.8H130 F131 F132 F198 L200 F206 S208 S214 V221 A259 L309 Y313 F330H130-W210 PolarHBondContact O-N 3.1Å; F131-W210 WeakPolarHBondContact CA-O 3.3Å; F131-W210 HydrophobicContact CD2-CB 4.1Å; F131-W210 AromaticContact CD2-CD1 3.84Å; F131-W210 HydrophobicContact CD2-CD2 4.34Å; F131-W210 AromaticContact CD2-CG 3.83Å; F131-W210 HydrophobicContact CD2-CG 3.83Å; F131-W210 AromaticContact CE2-CD1 3.76Å; F131-W210 HydrophobicContact CE2-CD2 4.44Å; F131-W210 HydrophobicContact CE2-CG 4.14Å; F131-W210 AromaticContact CE2-NE1 3.9Å; F132-W210 AromaticContact CE2-CD1 3.65Å; F132-W210 PolarHBondContact N-O 2.99Å; F198-W210 AromaticContact CD1-CZ2 3.99Å; F198-W210 HydrophobicContact CD1-CZ2 3.99Å; F198-W210 HydrophobicContact CE1-CZ2 4.19Å; F198-W210 AromaticContact CE1-NE1 3.93Å; L200-W210 HydrophobicContact CD2-CH2 3.92Å; L200-W210 HydrophobicContact CD2-CZ2 4.27Å; L200-W210 HydrophobicContact CD2-CZ3 4.42Å; F206-W210 HydrophobicContact CD1-CB 4.21Å; F206-W210 HydrophobicContact CD1-CE3 4.18Å; F206-W210 HydrophobicContact CE1-CB 4.11Å; F206-W210 HydrophobicContact CE1-CD2 4.06Å; F206-W210 AromaticContact CE1-CE3 3.66Å; F206-W210 HydrophobicContact CE1-CE3 3.66Å; F206-W210 HydrophobicContact CE1-CG 4.26Å; F206-W210 HydrophobicContact CE1-CZ3 4.39Å; S208-W210 PolarHBondContact O-N 3.31Å; W210-S214 PolarHBondContact NE1-OG 2.93Å; W210-V221 HydrophobicContact CH2-CG2 4.45Å; W210-A259 HydrophobicContact CH2-CB 4.25Å; W210-L309 HydrophobicContact CH2-CD1 4.31Å; W210-L309 HydrophobicContact CZ2-CD1 3.69Å; W210-Y313 AromaticContact CD2-CD1 3.66Å; W210-Y313 HydrophobicContact CD2-CD1 3.66Å; W210-Y313 HydrophobicContact CD2-CE1 4.2Å; W210-Y313 AromaticContact CE2-CD1 3.87Å; W210-Y313 AromaticContact CE3-CD1 3.74Å; W210-Y313 HydrophobicContact CE3-CD1 3.74Å; W210-Y313 HydrophobicContact CG-CD1 4.18Å; W210-Y313 HydrophobicContact CG-CE1 4.24Å; W210-Y313 HydrophobicContact CH2-CD1 4.18Å; W210-Y313 WeakPolarHBondContact CH2-O 3.33Å; W210-Y313 HydrophobicContact CZ2-CD1 4.11Å; W210-Y313 HydrophobicContact CZ3-CD1 4.03Å; W210-Y313 WeakPolarHBondContact CZ3-O 2.99Å; W210-F330 HydrophobicContact CE3-CB 3.77Å; W210-F330 HydrophobicContact CE3-CG 4.24Å; W210-F330 HydrophobicContact CZ3-CB 3.58Å; W210-F330 AromaticContact CZ3-CD1 3.78Å; W210-F330 HydrophobicContact CZ3-CD1 3.78Å; W210-F330 AromaticContact CZ3-CG 3.82Å; W210-F330 HydrophobicContact CZ3-CG 3.82Å
211G98.6Very high97.8Very high1 Ų119.5 Ų19.51%0.0110%0.098CC..  trans-141.5-151.3-17300000114.3F132 E213 S214F132-G211 VanDerWaalsContact CE1-C 3.45Å; F132-G211 VanDerWaalsContact CZ-O 3.28Å; F132-G211 WeakPolarHBondContact CZ-O 3.38Å; G211-E213 WeakPolarHBondContact CA-OE2 3.36Å; G211-E213 PolarHBondContact N-OE1 2.89Å; G211-E213 PolarHBondContact O-N 2.88Å; G211-S214 WeakPolarHBondContact O-CB 3.26Å; G211-S214 PolarHBondContact O-N 3.34Å; G211-S214 PolarHBondContact O-OG 2.6Å
212T97.8Very high97.9Very high1 Ų117.9 Ų17.91%0.0069%0.089CC..G310 helixtrans-56.9-22.9-171540000115L95 D96 Y99 F132 F135 R209 S214 L215L95-T212 VanDerWaalsContact CB-OG1 3.23Å; L95-T212 WeakPolarHBondContact CB-OG1 3.43Å; D96-T212 WeakPolarHBondContact OD1-CG2 3.29Å; D96-T212 PolarHBondContact OD1-OG1 3.09Å; Y99-T212 HydrophobicContact CD2-CG2 3.71Å; Y99-T212 HydrophobicContact CG-CG2 3.9Å; F132-T212 HydrophobicContact CE1-CG2 4.39Å; F135-T212 HydrophobicContact CD2-CG2 4.41Å; F135-T212 HydrophobicContact CE1-CG2 3.88Å; F135-T212 HydrophobicContact CE2-CG2 3.6Å; F135-T212 HydrophobicContact CZ-CG2 3.29Å; R209-T212 PolarHBondContact NH2-OG1 3.06Å; T212-S214 PolarHBondContact O-N 3.01Å; T212-L215 HydrophobicContact CG2-CD1 4.16Å; T212-L215 WeakPolarHBondContact O-CB 3.3Å; T212-L215 PolarHBondContact O-N 3.2Å
213E98.5Very high98Very high3 Ų318.9 Ų18.91%0.0149%0.094CC..G310 helixtrans-57.5-25.7172.167.9-81.1-177.600113.4V85 F90 L95 R209 G211 K307 Y313V85-E213 HydrophobicContact CG1-CB 4.28Å; V85-E213 HydrophobicContact CG1-CG 4.1Å; F90-E213 HydrophobicContact CB-CB 4.3Å; F90-E213 HydrophobicContact CD1-CB 4.12Å; F90-E213 HydrophobicContact CD1-CG 4.33Å; F90-E213 HydrophobicContact CD2-CB 3.4Å; F90-E213 VanDerWaalsContact CD2-CB 3.4Å; F90-E213 HydrophobicContact CD2-CG 3.85Å; F90-E213 HydrophobicContact CE1-CB 4.29Å; F90-E213 HydrophobicContact CE1-CG 4Å; F90-E213 HydrophobicContact CE2-CB 3.57Å; F90-E213 HydrophobicContact CE2-CG 3.43Å; F90-E213 VanDerWaalsContact CE2-CG 3.43Å; F90-E213 HydrophobicContact CG-CB 3.68Å; F90-E213 HydrophobicContact CG-CG 4.27Å; F90-E213 HydrophobicContact CZ-CB 4.04Å; F90-E213 HydrophobicContact CZ-CG 3.54Å; L95-E213 HydrophobicContact CD1-CB 3.76Å; R209-E213 IonicContact CZ-OE2 2.71Å; R209-E213 IonicContact NE-OE1 3.36Å; R209-E213 IonicContact NE-OE2 3.49Å; R209-E213 PolarHBondContact NE-OE2 3.19Å; R209-E213 IonicContact NH2-OE2 3.51Å; R209-E213 PolarHBondContact NH2-OE2 2.89Å; G211-E213 WeakPolarHBondContact CA-OE2 3.36Å; G211-E213 PolarHBondContact N-OE1 2.89Å; G211-E213 PolarHBondContact O-N 2.88Å; E213-K307 WeakPolarHBondContact O-CD 3.22Å; E213-K307 WeakPolarHBondContact O-CE 3.26Å; E213-K307 PolarHBondContact O-NZ 3.39Å; E213-Y313 WeakPolarHBondContact CG-OH 3.43Å; E213-Y313 PolarHBondContact OE1-OH 3.13Å
214S98.5Very high98.1Very high0 Ų018.5 Ų18.50%09%0.092CC..G310 helixtrans-86.8-6.9-179.478.30000113.9F198 W210 G211 T212 V219 K307F198-S214 WeakPolarHBondContact CZ-OG 3.26Å; W210-S214 PolarHBondContact NE1-OG 2.93Å; G211-S214 WeakPolarHBondContact O-CB 3.26Å; G211-S214 PolarHBondContact O-N 3.34Å; G211-S214 PolarHBondContact O-OG 2.6Å; T212-S214 PolarHBondContact O-N 3.01Å; S214-V219 WeakPolarHBondContact O-CG2 3.38Å; S214-K307 VanDerWaalsContact C-CD 3.47Å; S214-K307 WeakPolarHBondContact O-CD 3.43Å
215L97.8Very high98Very high3 Ų319.6 Ų19.62%0.01610%0.103CC..  trans-74.5128.6-175.2-63.5175.9000112.4Y99 I104 V106 F132 Y196 F198 T212 K307Y99-L215 HydrophobicContact CD1-CD1 3.73Å; Y99-L215 HydrophobicContact CD2-CD1 4.21Å; Y99-L215 HydrophobicContact CE1-CD1 3.62Å; Y99-L215 HydrophobicContact CE2-CD1 4.12Å; Y99-L215 HydrophobicContact CG-CD1 4.03Å; I104-L215 HydrophobicContact CD1-CD1 3.5Å; I104-L215 VanDerWaalsContact CD1-CD1 3.5Å; V106-L215 HydrophobicContact CG2-CD2 4.5Å; F132-L215 HydrophobicContact CE1-CD1 4.06Å; F132-L215 HydrophobicContact CE1-CD2 3.69Å; F132-L215 HydrophobicContact CE1-CG 3.86Å; F132-L215 HydrophobicContact CZ-CD2 3.53Å; F132-L215 HydrophobicContact CZ-CG 3.94Å; Y196-L215 HydrophobicContact CD1-CB 4.44Å; Y196-L215 HydrophobicContact CD1-CD2 3.78Å; Y196-L215 HydrophobicContact CD2-CD1 4.34Å; Y196-L215 HydrophobicContact CD2-CD2 3.79Å; Y196-L215 HydrophobicContact CE1-CB 4.13Å; Y196-L215 HydrophobicContact CE1-CD2 4.23Å; Y196-L215 HydrophobicContact CE2-CD1 4.12Å; Y196-L215 HydrophobicContact CE2-CD2 4.24Å; Y196-L215 HydrophobicContact CG-CD2 3.54Å; F198-L215 HydrophobicContact CE2-CD2 3.95Å; F198-L215 HydrophobicContact CZ-CD2 4.35Å; T212-L215 HydrophobicContact CG2-CD1 4.16Å; T212-L215 WeakPolarHBondContact O-CB 3.3Å; T212-L215 PolarHBondContact O-N 3.2Å; L215-K307 WeakPolarHBondContact O-CD 3.47Å; L215-K307 WeakPolarHBondContact O-CE 3.34Å; L215-K307 PolarHBondContact O-NZ 2.79Å
216G96.1Very high98Very high14 Ų1419.4 Ų19.414%0.14410%0.101CC..  trans-154.7176.5175.400000110.2G262 V263G216-G262 WeakPolarHBondContact O-CA 3.33Å; G216-V263 PolarHBondContact O-N 2.89Å
217E96.4Very high97.9Very high81 Ų8121.7 Ų21.738%0.37911%0.11SC..SBendtrans-66.4-56.4173.8-58.8-179.3143.400109.9G262 V263 E266 S306E217-G262 CarbonylContact O-C 3.54Å; E217-G262 WeakPolarHBondContact O-CA 3.42Å; E217-V263 HydrophobicContact CB-CG2 4.3Å; E217-V263 PolarHBondContact O-N 2.79Å; E217-E266 HydrophobicContact CB-CG 3.97Å; E217-E266 VanDerWaalsContact O-CB 3.24Å; E217-E266 WeakPolarHBondContact O-CB 3.45Å; E217-E266 WeakPolarHBondContact O-CG 3.49Å; E217-S306 WeakPolarHBondContact CA-OG 3.42Å; E217-S306 VanDerWaalsContact CB-OG 3.32Å; E217-S306 WeakPolarHBondContact CB-OG 3.46Å; E217-S306 PolarHBondContact N-OG 3.32Å
218L98.4Very high97.8Very high4 Ų423.4 Ų23.42%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-123.7122.8171-18063.4000108.9E266 L270 Y299 M300 P305 S306 K307L218-E266 HydrophobicContact CB-CB 4.3Å; L218-L270 HydrophobicContact CD1-CD1 3.81Å; L218-Y299 HydrophobicContact CD2-CE1 4Å; L218-M300 HydrophobicContact CD1-CE 4.25Å; L218-M300 HydrophobicContact CD2-CG 4.49Å; L218-P305 HydrophobicContact CG-CB 4.38Å; L218-P305 CarbonylContact O-C 3.52Å; L218-P305 WeakPolarHBondContact O-CA 3.25Å; L218-P305 WeakPolarHBondContact O-CB 3.49Å; L218-S306 PolarHBondContact N-OG 3.02Å; L218-S306 VanDerWaalsContact N-OG 3.11Å; L218-S306 PolarHBondContact O-N 3.02Å; L218-K307 PolarHBondContact O-N 3.43Å; L218-K307 VanDerWaalsContact O-N 3.11Å
219V98.8Very high97.8Very high0 Ų024.2 Ų24.20%012%0.118CC..EExtended strand (participates in β ladder)trans-115.2120.3-173.8-172.90000109.8F198 S214 F260 G261 K307 L309F198-V219 HydrophobicContact CE1-CB 4.34Å; F198-V219 HydrophobicContact CE1-CG1 4.08Å; S214-V219 WeakPolarHBondContact O-CG2 3.38Å; V219-F260 WeakPolarHBondContact O-CA 3.36Å; V219-G261 WeakPolarHBondContact CA-O 3.46Å; V219-G261 WeakPolarHBondContact CB-O 3.36Å; V219-G261 PolarHBondContact N-O 3.37Å; V219-G261 PolarHBondContact O-N 3.17Å; V219-K307 WeakPolarHBondContact CA-O 3.32Å; V219-K307 HydrophobicContact CG1-CG 4.49Å; V219-K307 HydrophobicContact CG2-CB 4.26Å; V219-L309 HydrophobicContact CG1-CD1 3.87Å; V219-L309 HydrophobicContact CG1-CD2 4Å; V219-L309 HydrophobicContact CG1-CG 3.69Å
220A98.8Very high97.7Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-110148.817500000111Y255 M300 P305 K307 V308 L309A220-Y255 HydrophobicContact CB-CD1 3.5Å; A220-Y255 VanDerWaalsContact CB-CD1 3.5Å; A220-Y255 HydrophobicContact CB-CE1 3.78Å; A220-Y255 HydrophobicContact CB-CG 4Å; A220-M300 HydrophobicContact CB-CE 3.88Å; A220-M300 HydrophobicContact CB-SD 3.4Å; A220-M300 WeakPolarHBondContact CB-SD 3.24Å; A220-P305 HydrophobicContact CB-CB 3.83Å; A220-P305 HydrophobicContact CB-CG 3.55Å; A220-K307 PolarHBondContact N-O 3.16Å; A220-V308 CarbonylContact O-C 3.57Å; A220-V308 WeakPolarHBondContact O-CA 3.29Å; A220-L309 PolarHBondContact O-N 3.05Å
221V98.8Very high97.6Very high1 Ų130.8 Ų30.81%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-112.4129.5173-174.50000109.5W210 Y255 C256 A259 L309 L314W210-V221 HydrophobicContact CH2-CG2 4.45Å; V221-Y255 CarbonylContact O-C 3.43Å; V221-Y255 VanDerWaalsContact O-CA 3.24Å; V221-Y255 WeakPolarHBondContact O-CA 3.41Å; V221-C256 HydrophobicContact CB-CB 4.44Å; V221-C256 PolarHBondContact O-N 2.73Å; V221-A259 HydrophobicContact CB-CB 4.07Å; V221-A259 WeakPolarHBondContact CB-O 3.11Å; V221-A259 HydrophobicContact CG1-CB 4.46Å; V221-A259 HydrophobicContact CG2-CB 3.65Å; V221-A259 VanDerWaalsContact CG2-O 3.26Å; V221-A259 WeakPolarHBondContact CG2-O 3.13Å; V221-L309 HydrophobicContact CB-CB 4.49Å; V221-L309 HydrophobicContact CG1-CB 4.4Å; V221-L309 HydrophobicContact CG2-CB 4.05Å; V221-L309 HydrophobicContact CG2-CD1 3.91Å; V221-L309 HydrophobicContact CG2-CG 4.2Å; V221-L314 HydrophobicContact CG1-CB 3.79Å
222I98.6Very high97.5Very high8 Ų834.9 Ų34.94%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-71.6132.5179.5-63.3-70.4000110.3F253 Y255 V308 L309 P311I222-F253 HydrophobicContact CD1-CB 3.36Å; I222-F253 HydrophobicContact CD1-CD1 3.86Å; I222-F253 HydrophobicContact CD1-CD2 3.91Å; I222-F253 HydrophobicContact CD1-CG 3.44Å; I222-F253 VanDerWaalsContact CD1-CG 3.44Å; I222-Y255 HydrophobicContact CD1-CD1 4.06Å; I222-Y255 HydrophobicContact CD1-CE1 3.97Å; I222-V308 HydrophobicContact CD1-CG1 3.56Å; I222-V308 HydrophobicContact CG1-CG1 3.45Å; I222-V308 VanDerWaalsContact CG1-CG1 3.45Å; I222-L309 WeakPolarHBondContact CG1-O 3.36Å; I222-L309 PolarHBondContact N-O 2.9Å; I222-P311 HydrophobicContact CB-CG 4.26Å; I222-P311 HydrophobicContact CG2-CG 3.93Å
223H98.3Very high97.4Very high26 Ų2641.1 Ų41.112%0.1221%0.206CC..  trans-70.6126.6-179.8-168.4-90.1000113.1G225 Y226 Y227 Y254 C256H223-G225 WeakPolarHBondContact ND1-CA 3.46Å; H223-G225 PolarHBondContact ND1-N 3.21Å; H223-G225 PolarHBondContact O-N 2.79Å; H223-G225 VanDerWaalsContact O-N 3.07Å; H223-Y226 HydrophobicContact CB-CD2 4.25Å; H223-Y226 AromaticContact CE1-CD2 3.89Å; H223-Y226 AromaticContact CE1-CE2 3.71Å; H223-Y226 AromaticContact CG-CD2 3.9Å; H223-Y226 AromaticContact ND1-CD2 3.17Å; H223-Y226 WeakPolarHBondContact ND1-CD2 3.37Å; H223-Y226 AromaticContact ND1-CE2 3.49Å; H223-Y226 WeakPolarHBondContact ND1-CE2 3.38Å; H223-Y226 PolarHBondContact O-N 3.1Å; H223-Y226 VanDerWaalsContact O-N 3.09Å; H223-Y227 PolarHBondContact O-N 2.92Å; H223-Y254 HydrophobicContact CB-CD1 3.65Å; H223-Y254 HydrophobicContact CB-CE1 4.42Å; H223-Y254 WeakPolarHBondContact CB-O 3.48Å; H223-Y254 AromaticContact CG-CD1 3.91Å; H223-Y254 PolarHBondContact N-O 3.05Å; H223-C256 WeakPolarHBondContact CA-SG 3.3Å
224P97Very high97.4Very high5 Ų541.5 Ų41.53%0.03221%0.207CC..THydrogen-bonded Turntrans-68.8-11.8-176.332.1-39.7000112.7P311 L314 W315 Q316 K319P224-P311 HydrophobicContact CB-CB 4.25Å; P224-L314 VanDerWaalsContact CD-O 3.23Å; P224-L314 WeakPolarHBondContact CD-O 3.49Å; P224-L314 WeakPolarHBondContact CG-O 3.21Å; P224-W315 HydrophobicContact CB-CD2 4.23Å; P224-W315 HydrophobicContact CB-CE3 3.5Å; P224-W315 HydrophobicContact CB-CH2 4.41Å; P224-W315 HydrophobicContact CB-CZ3 3.61Å; P224-Q316 HydrophobicContact CG-CG 3.91Å; P224-K319 PolarHBondContact O-NZ 2.88Å; P224-K319 VanDerWaalsContact O-NZ 3.1Å
225G96Very high97.4Very high25 Ų2542.8 Ų42.826%0.25822%0.215SC..THydrogen-bonded Turntrans-78.3-25.5173.100000115.3H223H223-G225 WeakPolarHBondContact ND1-CA 3.46Å; H223-G225 PolarHBondContact ND1-N 3.21Å; H223-G225 PolarHBondContact O-N 2.79Å; H223-G225 VanDerWaalsContact O-N 3.07Å
226Y97.2Very high97.4Very high55 Ų5543 Ų4322%0.21622%0.216CC..THydrogen-bonded Turntrans-132.1-2.2-164.6-58-69.6000114H223 K228 D229 F234 P235 Y254H223-Y226 HydrophobicContact CB-CD2 4.25Å; H223-Y226 AromaticContact CE1-CD2 3.89Å; H223-Y226 AromaticContact CE1-CE2 3.71Å; H223-Y226 AromaticContact CG-CD2 3.9Å; H223-Y226 AromaticContact ND1-CD2 3.17Å; H223-Y226 WeakPolarHBondContact ND1-CD2 3.37Å; H223-Y226 AromaticContact ND1-CE2 3.49Å; H223-Y226 WeakPolarHBondContact ND1-CE2 3.38Å; H223-Y226 PolarHBondContact O-N 3.1Å; H223-Y226 VanDerWaalsContact O-N 3.09Å; Y226-K228 PolarHBondContact O-N 2.73Å; Y226-D229 WeakPolarHBondContact O-CB 2.77Å; Y226-D229 PolarHBondContact O-N 3.27Å; Y226-F234 HydrophobicContact CG-CD1 4.39Å; Y226-F234 WeakPolarHBondContact O-CE1 3.43Å; Y226-P235 HydrophobicContact CD2-CG 4.39Å; Y226-P235 HydrophobicContact CE1-CG 4.11Å; Y226-P235 HydrophobicContact CE2-CG 3.64Å; Y226-P235 VanDerWaalsContact CZ-CG 3.48Å; Y226-P235 WeakPolarHBondContact OH-CG 3.2Å; Y226-Y254 AromaticContact CD2-CD1 3.37Å; Y226-Y254 HydrophobicContact CD2-CD1 3.37Å; Y226-Y254 AromaticContact CD2-CE1 3.86Å; Y226-Y254 HydrophobicContact CD2-CE1 3.86Å; Y226-Y254 AromaticContact CD2-CG 3.9Å; Y226-Y254 HydrophobicContact CD2-CG 3.9Å; Y226-Y254 AromaticContact CE2-CD1 3.9Å; Y226-Y254 HydrophobicContact CE2-CD1 3.9Å; Y226-Y254 AromaticContact CE2-CE1 3.88Å; Y226-Y254 HydrophobicContact CE2-CE1 3.88Å; Y226-Y254 HydrophobicContact CG-CD1 4.29Å; Y226-Y254 HydrophobicContact CG-CG 4.42Å
227Y96.9Very high97.5Very high51 Ų5142.5 Ų42.520%0.221%0.21CC..THydrogen-bonded Turntrans-62.4-16.3-175.678.2-78.2000115.8H223 P311 W315 N322 E324H223-Y227 PolarHBondContact O-N 2.92Å; Y227-P311 HydrophobicContact CD1-CG 3.86Å; Y227-P311 HydrophobicContact CD2-CG 3.88Å; Y227-P311 HydrophobicContact CE1-CG 4.46Å; Y227-P311 HydrophobicContact CE2-CG 4.45Å; Y227-P311 HydrophobicContact CG-CG 3.54Å; Y227-W315 AromaticContact CE1-CH2 3.86Å; Y227-W315 HydrophobicContact CE1-CH2 3.86Å; Y227-W315 AromaticContact CE1-CZ3 3.88Å; Y227-W315 HydrophobicContact CE1-CZ3 3.88Å; Y227-N322 WeakPolarHBondContact OH-CB 3.03Å; Y227-N322 PolarHBondContact OH-ND2 3.38Å; Y227-E324 HydrophobicContact CE2-CG 4.42Å; Y227-E324 VanDerWaalsContact CE2-OE1 3.26Å; Y227-E324 WeakPolarHBondContact CE2-OE1 3.09Å; Y227-E324 PolarHBondContact OH-OE1 3.43Å
228K96.5Very high97.6Very high121 Ų12142.5 Ų42.553%0.52621%0.207SC..THydrogen-bonded Turntrans-102.1-7.1172.9-70.2-175.5171.3171.40113.4Y226 N322 E324Y226-K228 PolarHBondContact O-N 2.73Å; K228-N322 PolarHBondContact NZ-OD1 3.01Å; K228-E324 WeakPolarHBondContact CE-OE1 3.39Å; K228-E324 IonicContact NZ-OE1 3.58Å; K228-E324 PolarHBondContact NZ-OE1 2.88Å; K228-E324 IonicContact NZ-OE2 3.01Å; K228-E324 PolarHBondContact NZ-OE2 3.25Å
229D96.9Very high97.6Very high50 Ų5048 Ų4827%0.26723%0.227SC..SBendtrans-87.1152.7-175.2-82-39.1000111.7Y226 K233 F234Y226-D229 WeakPolarHBondContact O-CB 2.77Å; Y226-D229 PolarHBondContact O-N 3.27Å; D229-K233 HydrophobicContact CB-CB 4.14Å; D229-K233 HydrophobicContact CB-CD 4.02Å; D229-K233 WeakPolarHBondContact OD1-CD 3.37Å; D229-K233 IonicContact OD1-NZ 3.51Å; D229-K233 PolarHBondContact OD1-NZ 2.69Å; D229-F234 HydrophobicContact CB-CD1 4.47Å; D229-F234 HydrophobicContact CB-CE1 4.11Å; D229-F234 WeakPolarHBondContact O-CE1 3.26Å
230D96.9Very high97.6Very high94 Ų9452.7 Ų52.750%0.50326%0.258SS..  trans-71.7151.7166.9177.8-100000110.9S232 K233D230-S232 PolarHBondContact O-N 2.91Å; D230-S232 WeakPolarHBondContact OD1-CB 3.21Å; D230-S232 PolarHBondContact OD1-N 3.48Å; D230-S232 PolarHBondContact OD1-OG 2.99Å; D230-K233 PolarHBondContact O-N 3.01Å
231R96.3Very high97.5Very high103 Ų10355.4 Ų55.439%0.38928%0.28SS..G310 helixtrans-57.1-22.9-178.371-18068.4172.9-3.6114.5K233 F234 R238 G249 G251R231-K233 PolarHBondContact O-N 3.47Å; R231-F234 VanDerWaalsContact CA-CD2 3.46Å; R231-F234 HydrophobicContact CB-CD2 3.81Å; R231-F234 HydrophobicContact CB-CE2 3.75Å; R231-F234 HydrophobicContact CB-CZ 4.46Å; R231-F234 PolarHBondContact O-N 2.79Å; R231-R238 PolarHBondContact O-NH2 2.87Å; R231-R238 VanDerWaalsContact O-NH2 3.13Å; R231-G249 VanDerWaalsContact CD-O 3.29Å; R231-G249 WeakPolarHBondContact CD-O 3.49Å; R231-G249 PolarHBondContact NH1-O 3.35Å; R231-G251 VanDerWaalsContact CZ-O 3.23Å; R231-G251 PolarHBondContact NE-O 3.03Å
232S96.3Very high97.5Very high88 Ų8855.6 Ų55.662%0.61528%0.281SS*.G310 helixtrans-62.4-25.5173.3580000113.4D230D230-S232 PolarHBondContact O-N 2.91Å; D230-S232 WeakPolarHBondContact OD1-CB 3.21Å; D230-S232 PolarHBondContact OD1-N 3.48Å; D230-S232 PolarHBondContact OD1-OG 2.99Å
233K97.4Very high97.5Very high131 Ų13160.6 Ų60.657%0.5730%0.3SS*.G310 helixtrans-95.4-9.4178.9-60.2179.8-176.3178.20113.8D229 D230 R231D229-K233 HydrophobicContact CB-CB 4.14Å; D229-K233 HydrophobicContact CB-CD 4.02Å; D229-K233 WeakPolarHBondContact OD1-CD 3.37Å; D229-K233 IonicContact OD1-NZ 3.51Å; D229-K233 PolarHBondContact OD1-NZ 2.69Å; D230-K233 PolarHBondContact O-N 3.01Å; R231-K233 PolarHBondContact O-N 3.47Å
234F98.3Very high97.5Very high12 Ų1259.4 Ų59.45%0.05329%0.294CS..SBendtrans-62.9130177.7-64.7-12.7000109.4Y226 D229 R231 Y236 R238 Y254Y226-F234 HydrophobicContact CG-CD1 4.39Å; Y226-F234 WeakPolarHBondContact O-CE1 3.43Å; D229-F234 HydrophobicContact CB-CD1 4.47Å; D229-F234 HydrophobicContact CB-CE1 4.11Å; D229-F234 WeakPolarHBondContact O-CE1 3.26Å; R231-F234 VanDerWaalsContact CA-CD2 3.46Å; R231-F234 HydrophobicContact CB-CD2 3.81Å; R231-F234 HydrophobicContact CB-CE2 3.75Å; R231-F234 HydrophobicContact CB-CZ 4.46Å; R231-F234 PolarHBondContact O-N 2.79Å; F234-Y236 HydrophobicContact CB-CD2 3.93Å; F234-Y236 HydrophobicContact CB-CE1 4.4Å; F234-Y236 HydrophobicContact CB-CE2 3.77Å; F234-Y236 HydrophobicContact CB-CG 4.32Å; F234-Y236 AromaticContact CD2-CE2 3.65Å; F234-Y236 HydrophobicContact CD2-CE2 3.65Å; F234-Y236 AromaticContact CD2-CZ 3.62Å; F234-Y236 WeakPolarHBondContact CD2-OH 3.47Å; F234-Y236 HydrophobicContact CG-CE2 4.23Å; F234-Y236 PolarHBondContact O-N 2.98Å; F234-R238 PolarHBondContact O-NH2 3.42Å; F234-Y254 HydrophobicContact CB-CD2 3.97Å; F234-Y254 HydrophobicContact CG-CD2 4.45Å
235P97.8Very high97.5Very high26 Ų2662 Ų6217%0.16930%0.303CS..  trans-84.852.2-175.541.4-42.8000109.8Y226 Y254Y226-P235 HydrophobicContact CD2-CG 4.39Å; Y226-P235 HydrophobicContact CE1-CG 4.11Å; Y226-P235 HydrophobicContact CE2-CG 3.64Å; Y226-P235 VanDerWaalsContact CZ-CG 3.48Å; Y226-P235 WeakPolarHBondContact OH-CG 3.2Å; P235-Y254 HydrophobicContact CG-CD2 4.28Å; P235-Y254 HydrophobicContact CG-CE1 4.03Å; P235-Y254 HydrophobicContact CG-CE2 3.64Å; P235-Y254 VanDerWaalsContact CG-CZ 3.49Å
236Y98.5Very high97.7Very high8 Ų860.8 Ų60.83%0.03129%0.291CS..  trans-62.9160.4169.1-61.5-47.5000110.6F234 R238 V246 F253 Y254 N297F234-Y236 HydrophobicContact CB-CD2 3.93Å; F234-Y236 HydrophobicContact CB-CE1 4.4Å; F234-Y236 HydrophobicContact CB-CE2 3.77Å; F234-Y236 HydrophobicContact CB-CG 4.32Å; F234-Y236 AromaticContact CD2-CE2 3.65Å; F234-Y236 HydrophobicContact CD2-CE2 3.65Å; F234-Y236 AromaticContact CD2-CZ 3.62Å; F234-Y236 WeakPolarHBondContact CD2-OH 3.47Å; F234-Y236 HydrophobicContact CG-CE2 4.23Å; F234-Y236 PolarHBondContact O-N 2.98Å; Y236-R238 WeakPolarHBondContact O-CG 3.36Å; Y236-R238 PolarHBondContact O-N 2.95Å; Y236-V246 HydrophobicContact CD1-CG2 4.29Å; Y236-V246 HydrophobicContact CD2-CB 3.77Å; Y236-V246 HydrophobicContact CD2-CG1 3.57Å; Y236-V246 HydrophobicContact CD2-CG2 4.28Å; Y236-V246 HydrophobicContact CE2-CB 4.47Å; Y236-V246 HydrophobicContact CE2-CG1 3.86Å; Y236-V246 HydrophobicContact CG-CB 3.85Å; Y236-V246 HydrophobicContact CG-CG1 4.15Å; Y236-V246 HydrophobicContact CG-CG2 4.02Å; Y236-F253 PolarHBondContact OH-O 3.28Å; Y236-Y254 AromaticContact CD1-CD2 3.65Å; Y236-Y254 HydrophobicContact CD1-CD2 3.65Å; Y236-Y254 AromaticContact CD1-CE2 3.74Å; Y236-Y254 HydrophobicContact CD1-CE2 3.74Å; Y236-Y254 AromaticContact CE1-CD2 3.46Å; Y236-Y254 HydrophobicContact CE1-CD2 3.46Å; Y236-Y254 VanDerWaalsContact CE1-CD2 3.46Å; Y236-Y254 HydrophobicContact CE1-CE2 4.02Å; Y236-N297 HydrophobicContact CD1-CB 3.86Å; Y236-N297 HydrophobicContact CE1-CB 3.68Å
237E98.4Very high97.7Very high4 Ų459 Ų592%0.01929%0.288CS..  trans-63.6122.2165177.453.8-107.600109.9R239 S242 A244 Y245 V246 A288 A289E237-R239 WeakPolarHBondContact OE1-CB 3.4Å; E237-R239 WeakPolarHBondContact OE1-CG 3.23Å; E237-R239 IonicContact OE1-CZ 3.42Å; E237-R239 PolarHBondContact OE1-N 2.9Å; E237-R239 IonicContact OE1-NE 3.88Å; E237-R239 PolarHBondContact OE1-NE 3.21Å; E237-R239 IonicContact OE1-NH2 2.74Å; E237-R239 IonicContact OE2-CZ 2.76Å; E237-R239 IonicContact OE2-NE 2.67Å; E237-R239 PolarHBondContact OE2-NE 3.23Å; E237-R239 IonicContact OE2-NH2 3.69Å; E237-R239 PolarHBondContact OE2-NH2 3.1Å; E237-S242 VanDerWaalsContact CG-CB 3.46Å; E237-S242 WeakPolarHBondContact CG-OG 3.37Å; E237-A244 HydrophobicContact CB-CB 3.79Å; E237-A244 HydrophobicContact CG-CB 4.14Å; E237-Y245 WeakPolarHBondContact O-CA 3.39Å; E237-V246 PolarHBondContact O-N 3.41Å; E237-A288 VanDerWaalsContact OE2-CA 3.32Å; E237-A288 WeakPolarHBondContact OE2-CA 3.29Å; E237-A289 PolarHBondContact OE2-N 2.75Å
238R97.8Very high97.7Very high80 Ų8061.9 Ų61.930%0.30231%0.313SS..  trans-108.4-4.8-175-58.7-51.9-174.1166.62.4113.4R231 F234 Y236 P240 Y245 V246 A247R231-R238 PolarHBondContact O-NH2 2.87Å; R231-R238 VanDerWaalsContact O-NH2 3.13Å; F234-R238 PolarHBondContact O-NH2 3.42Å; Y236-R238 WeakPolarHBondContact O-CG 3.36Å; Y236-R238 PolarHBondContact O-N 2.95Å; R238-P240 WeakPolarHBondContact O-CD 3.18Å; R238-Y245 WeakPolarHBondContact O-CD2 3.39Å; R238-Y245 WeakPolarHBondContact O-CE2 3.34Å; R238-V246 WeakPolarHBondContact CD-O 3.44Å; R238-V246 PolarHBondContact NH1-O 3.18Å; R238-A247 PolarHBondContact NH1-O 3.06Å
239R98.1Very high97.7Very high121 Ų12158.6 Ų58.646%0.45731%0.313SS..  trans-81.6116.8175.3-64.6169.2-71.5176.2-1.7109.1E237 A241 S242 E287E237-R239 WeakPolarHBondContact OE1-CB 3.4Å; E237-R239 WeakPolarHBondContact OE1-CG 3.23Å; E237-R239 IonicContact OE1-CZ 3.42Å; E237-R239 PolarHBondContact OE1-N 2.9Å; E237-R239 IonicContact OE1-NE 3.88Å; E237-R239 PolarHBondContact OE1-NE 3.21Å; E237-R239 IonicContact OE1-NH2 2.74Å; E237-R239 IonicContact OE2-CZ 2.76Å; E237-R239 IonicContact OE2-NE 2.67Å; E237-R239 PolarHBondContact OE2-NE 3.23Å; E237-R239 IonicContact OE2-NH2 3.69Å; E237-R239 PolarHBondContact OE2-NH2 3.1Å; R239-A241 PolarHBondContact O-N 3.38Å; R239-S242 PolarHBondContact O-N 2.88Å; R239-E287 PolarHBondContact NH2-O 2.98Å
240P98Very high97.7Very high98 Ų9859.2 Ų59.264%0.63632%0.315SS*.THydrogen-bonded Turntrans-61.5-16.6-178.7-24.435.1000115.1R238 S242 Y245R238-P240 WeakPolarHBondContact O-CD 3.18Å; P240-S242 VanDerWaalsContact C-N 3.31Å; P240-Y245 HydrophobicContact CB-CD1 4.22Å; P240-Y245 HydrophobicContact CB-CE1 4.17Å; P240-Y245 HydrophobicContact CB-CG 4.42Å; P240-Y245 HydrophobicContact CG-CD2 4.4Å; P240-Y245 HydrophobicContact CG-CE1 4.27Å; P240-Y245 HydrophobicContact CG-CE2 3.99Å
241A98.1Very high97.7Very high57 Ų5754.8 Ų54.847%0.47129%0.291SS..THydrogen-bonded Turntrans-71-25.4176.900000112.8R239 I286R239-A241 PolarHBondContact O-N 3.38Å; A241-I286 HydrophobicContact CB-CD1 3.56Å; A241-I286 WeakPolarHBondContact O-CD1 3.19Å
242S98.4Very high97.8Very high5 Ų551.6 Ų51.64%0.03528%0.282CS..SBendtrans-80.8143.4179.71720000112.2E237 R239 P240 A244 Y245 D281E237-S242 VanDerWaalsContact CG-CB 3.46Å; E237-S242 WeakPolarHBondContact CG-OG 3.37Å; R239-S242 PolarHBondContact O-N 2.88Å; P240-S242 VanDerWaalsContact C-N 3.31Å; S242-A244 PolarHBondContact O-N 2.87Å; S242-A244 WeakPolarHBondContact OG-CB 3.18Å; S242-A244 PolarHBondContact OG-N 2.63Å; S242-Y245 VanDerWaalsContact O-CB 3.23Å; S242-Y245 WeakPolarHBondContact O-CB 3.48Å; S242-Y245 PolarHBondContact O-N 2.78Å; S242-Y245 VanDerWaalsContact O-N 3.1Å; S242-D281 WeakPolarHBondContact CA-OD1 3.36Å; S242-D281 WeakPolarHBondContact CB-OD2 3.23Å; S242-D281 PolarHBondContact OG-OD2 3.27Å
243R97.9Very high97.9Very high113 Ų11350 Ų5043%0.42626%0.264SS..THydrogen-bonded Turntrans-64.1-16.2169.1-58.1-46172.3-164.7-8.1113.3N277 D280 D281 E284R243-N277 HydrophobicContact CB-CB 3.7Å; R243-N277 HydrophobicContact CG-CB 4.37Å; R243-D280 HydrophobicContact CG-CB 4.42Å; R243-D281 VanDerWaalsContact CG-OD1 3.32Å; R243-D281 WeakPolarHBondContact CG-OD1 3.31Å; R243-D281 PolarHBondContact N-OD1 2.93Å; R243-D281 PolarHBondContact N-OD2 2.77Å; R243-E284 IonicContact CZ-OE1 3.38Å; R243-E284 IonicContact NH2-OE1 3.27Å; R243-E284 PolarHBondContact NH2-OE1 3.39Å; R243-E284 IonicContact NH2-OE2 2.84Å
244A98.1Very high97.9Very high0 Ų043.9 Ų43.90%024%0.237CC..THydrogen-bonded Turntrans-86.90.4173.900000114.1E237 S242 V246 A288E237-A244 HydrophobicContact CB-CB 3.79Å; E237-A244 HydrophobicContact CG-CB 4.14Å; S242-A244 PolarHBondContact O-N 2.87Å; S242-A244 WeakPolarHBondContact OG-CB 3.18Å; S242-A244 PolarHBondContact OG-N 2.63Å; A244-V246 PolarHBondContact O-N 3.29Å; A244-A288 HydrophobicContact CB-CB 3.88Å
245Y98.6Very high97.9Very high59 Ų5943.4 Ų43.423%0.23124%0.235CC..  trans-56.3129.8-173174.1-121.1000114E237 R238 P240 S242 A247 R298E237-Y245 WeakPolarHBondContact O-CA 3.39Å; R238-Y245 WeakPolarHBondContact O-CD2 3.39Å; R238-Y245 WeakPolarHBondContact O-CE2 3.34Å; P240-Y245 HydrophobicContact CB-CD1 4.22Å; P240-Y245 HydrophobicContact CB-CE1 4.17Å; P240-Y245 HydrophobicContact CB-CG 4.42Å; P240-Y245 HydrophobicContact CG-CD2 4.4Å; P240-Y245 HydrophobicContact CG-CE1 4.27Å; P240-Y245 HydrophobicContact CG-CE2 3.99Å; S242-Y245 VanDerWaalsContact O-CB 3.23Å; S242-Y245 WeakPolarHBondContact O-CB 3.48Å; S242-Y245 PolarHBondContact O-N 2.78Å; S242-Y245 VanDerWaalsContact O-N 3.1Å; Y245-A247 HydrophobicContact CE1-CB 3.97Å; Y245-A247 WeakPolarHBondContact OH-CA 3.48Å; Y245-A247 WeakPolarHBondContact OH-CB 3.35Å; Y245-R298 VanDerWaalsContact O-CD 3.23Å; Y245-R298 WeakPolarHBondContact O-CD 3.12Å; Y245-R298 VanDerWaalsContact O-CZ 3.25Å; Y245-R298 PolarHBondContact O-NE 3.47Å; Y245-R298 PolarHBondContact O-NH1 2.96Å
246V98.4Very high97.8Very high0 Ų042.2 Ų42.20%023%0.227CC..  trans-123.7120.4169.4-177.60000109.1Y236 E237 R238 A244 E250 R298Y236-V246 HydrophobicContact CD1-CG2 4.29Å; Y236-V246 HydrophobicContact CD2-CB 3.77Å; Y236-V246 HydrophobicContact CD2-CG1 3.57Å; Y236-V246 HydrophobicContact CD2-CG2 4.28Å; Y236-V246 HydrophobicContact CE2-CB 4.47Å; Y236-V246 HydrophobicContact CE2-CG1 3.86Å; Y236-V246 HydrophobicContact CG-CB 3.85Å; Y236-V246 HydrophobicContact CG-CG1 4.15Å; Y236-V246 HydrophobicContact CG-CG2 4.02Å; E237-V246 PolarHBondContact O-N 3.41Å; R238-V246 WeakPolarHBondContact CD-O 3.44Å; R238-V246 PolarHBondContact NH1-O 3.18Å; A244-V246 PolarHBondContact O-N 3.29Å; V246-E250 HydrophobicContact CG1-CB 3.6Å; V246-R298 HydrophobicContact CG2-CB 4.4Å
247A97.8Very high97.7Very high19 Ų1941.9 Ų41.916%0.15723%0.226CC..  trans-68.9157.6-173.200000112.5R238 Y245 G249 E250R238-A247 PolarHBondContact NH1-O 3.06Å; Y245-A247 HydrophobicContact CE1-CB 3.97Å; Y245-A247 WeakPolarHBondContact OH-CA 3.48Å; Y245-A247 WeakPolarHBondContact OH-CB 3.35Å; A247-G249 PolarHBondContact O-N 3Å; A247-E250 HydrophobicContact CB-CG 3.96Å; A247-E250 PolarHBondContact N-OE2 3.27Å; A247-E250 WeakPolarHBondContact O-CB 3.35Å; A247-E250 PolarHBondContact O-N 3.46Å
248P96.9Very high97.5Very high110 Ų11041.9 Ų41.971%0.71423%0.228SC*.THydrogen-bonded Turntrans-53.4130.8168.3-24.935000110.9E250P248-E250 VanDerWaalsContact C-N 3.31Å; P248-E250 PolarHBondContact O-N 2.86Å
249G96.3Very high97.5Very high52 Ų5238.1 Ų38.154%0.53621%0.213SC..THydrogen-bonded Turntrans86.3-13.4-176.700000115.2R231 A247R231-G249 VanDerWaalsContact CD-O 3.29Å; R231-G249 WeakPolarHBondContact CD-O 3.49Å; R231-G249 PolarHBondContact NH1-O 3.35Å; A247-G249 PolarHBondContact O-N 3Å
250E97.6Very high97.5Very high64 Ų6432.7 Ų32.730%0.29919%0.193SC..  trans-84.2162171.4-66.4-175155.900112.5V246 A247 P248 R298 W301V246-E250 HydrophobicContact CG1-CB 3.6Å; A247-E250 HydrophobicContact CB-CG 3.96Å; A247-E250 PolarHBondContact N-OE2 3.27Å; A247-E250 WeakPolarHBondContact O-CB 3.35Å; A247-E250 PolarHBondContact O-N 3.46Å; P248-E250 VanDerWaalsContact C-N 3.31Å; P248-E250 PolarHBondContact O-N 2.86Å; E250-R298 IonicContact OE2-NH1 2.66Å; E250-R298 PolarHBondContact OE2-NH1 3.42Å; E250-W301 HydrophobicContact CB-CZ2 4.05Å; E250-W301 HydrophobicContact CG-CZ2 4.17Å
251G97Very high97.5Very high0 Ų028 Ų280%016%0.163CC..  trans101.2146.6177.100000114R231 W301R231-G251 VanDerWaalsContact CZ-O 3.23Å; R231-G251 PolarHBondContact NE-O 3.03Å; G251-W301 VanDerWaalsContact CA-CE3 3.46Å
252D97.8Very high97.5Very high37 Ų3725.3 Ų25.320%0.19814%0.14CC..SBendtrans-99.3-56.6176.5-50-71.2000111.1W80 W301 K304W80-D252 HydrophobicContact CH2-CB 3.97Å; W80-D252 HydrophobicContact CZ3-CB 3.79Å; W80-D252 VanDerWaalsContact CZ3-CG 3.5Å; D252-W301 WeakPolarHBondContact OD1-CZ3 3.03Å; D252-W301 WeakPolarHBondContact OD2-CZ3 3.13Å; D252-K304 IonicContact OD1-NZ 3.71Å; D252-K304 IonicContact OD2-NZ 3.68Å; D252-K304 PolarHBondContact OD2-NZ 2.9Å
253F98.2Very high97.4Very high53 Ų5325.6 Ų25.623%0.23214%0.142CC..  trans-143.8155.7-178-53.8-72.5000109.8T78 W80 I222 Y236 Y255T78-F253 HydrophobicContact CG2-CE2 3.97Å; T78-F253 HydrophobicContact CG2-CZ 4.48Å; W80-F253 AromaticContact CH2-CD2 4Å; W80-F253 HydrophobicContact CH2-CD2 4Å; W80-F253 AromaticContact CH2-CE2 3.7Å; W80-F253 HydrophobicContact CH2-CE2 3.7Å; W80-F253 HydrophobicContact CZ3-CE2 4.23Å; I222-F253 HydrophobicContact CD1-CB 3.36Å; I222-F253 HydrophobicContact CD1-CD1 3.86Å; I222-F253 HydrophobicContact CD1-CD2 3.91Å; I222-F253 HydrophobicContact CD1-CG 3.44Å; I222-F253 VanDerWaalsContact CD1-CG 3.44Å; Y236-F253 PolarHBondContact OH-O 3.28Å; F253-Y255 HydrophobicContact CB-CD1 4.27Å; F253-Y255 HydrophobicContact CB-CE1 3.74Å; F253-Y255 AromaticContact CD2-CE1 3.99Å; F253-Y255 HydrophobicContact CD2-CE1 3.99Å; F253-Y255 HydrophobicContact CG-CE1 4.32Å; F253-Y255 WeakPolarHBondContact O-CE2 3.28Å
254Y98.7Very high97.4Very high3 Ų320.6 Ų20.61%0.01212%0.124CC..PPolyproline II helixtrans-89117.4167.4-161.9-97.9000110.5H223 Y226 F234 P235 Y236 E293 N297H223-Y254 HydrophobicContact CB-CD1 3.65Å; H223-Y254 HydrophobicContact CB-CE1 4.42Å; H223-Y254 WeakPolarHBondContact CB-O 3.48Å; H223-Y254 AromaticContact CG-CD1 3.91Å; H223-Y254 PolarHBondContact N-O 3.05Å; Y226-Y254 AromaticContact CD2-CD1 3.37Å; Y226-Y254 HydrophobicContact CD2-CD1 3.37Å; Y226-Y254 AromaticContact CD2-CE1 3.86Å; Y226-Y254 HydrophobicContact CD2-CE1 3.86Å; Y226-Y254 AromaticContact CD2-CG 3.9Å; Y226-Y254 HydrophobicContact CD2-CG 3.9Å; Y226-Y254 AromaticContact CE2-CD1 3.9Å; Y226-Y254 HydrophobicContact CE2-CD1 3.9Å; Y226-Y254 AromaticContact CE2-CE1 3.88Å; Y226-Y254 HydrophobicContact CE2-CE1 3.88Å; Y226-Y254 HydrophobicContact CG-CD1 4.29Å; Y226-Y254 HydrophobicContact CG-CG 4.42Å; F234-Y254 HydrophobicContact CB-CD2 3.97Å; F234-Y254 HydrophobicContact CG-CD2 4.45Å; P235-Y254 HydrophobicContact CG-CD2 4.28Å; P235-Y254 HydrophobicContact CG-CE1 4.03Å; P235-Y254 HydrophobicContact CG-CE2 3.64Å; P235-Y254 VanDerWaalsContact CG-CZ 3.49Å; Y236-Y254 AromaticContact CD1-CD2 3.65Å; Y236-Y254 HydrophobicContact CD1-CD2 3.65Å; Y236-Y254 AromaticContact CD1-CE2 3.74Å; Y236-Y254 HydrophobicContact CD1-CE2 3.74Å; Y236-Y254 AromaticContact CE1-CD2 3.46Å; Y236-Y254 HydrophobicContact CE1-CD2 3.46Å; Y236-Y254 VanDerWaalsContact CE1-CD2 3.46Å; Y236-Y254 HydrophobicContact CE1-CE2 4.02Å; Y254-E293 HydrophobicContact CE1-CG 4.25Å; Y254-E293 VanDerWaalsContact CE1-OE1 3.24Å; Y254-E293 WeakPolarHBondContact CE1-OE1 3.48Å; Y254-E293 PolarHBondContact OH-OE1 3.16Å; Y254-N297 WeakPolarHBondContact CA-OD1 3.4Å
255Y98.6Very high97.3Very high2 Ų222.2 Ų22.21%0.00814%0.137CC..EExtended strand (participates in β ladder)trans-97.5148.9-177.7-49.9-69.3000111.6A220 V221 I222 F253 N297 M300A220-Y255 HydrophobicContact CB-CD1 3.5Å; A220-Y255 VanDerWaalsContact CB-CD1 3.5Å; A220-Y255 HydrophobicContact CB-CE1 3.78Å; A220-Y255 HydrophobicContact CB-CG 4Å; V221-Y255 CarbonylContact O-C 3.43Å; V221-Y255 VanDerWaalsContact O-CA 3.24Å; V221-Y255 WeakPolarHBondContact O-CA 3.41Å; I222-Y255 HydrophobicContact CD1-CD1 4.06Å; I222-Y255 HydrophobicContact CD1-CE1 3.97Å; F253-Y255 HydrophobicContact CB-CD1 4.27Å; F253-Y255 HydrophobicContact CB-CE1 3.74Å; F253-Y255 AromaticContact CD2-CE1 3.99Å; F253-Y255 HydrophobicContact CD2-CE1 3.99Å; F253-Y255 HydrophobicContact CG-CE1 4.32Å; F253-Y255 WeakPolarHBondContact O-CE2 3.28Å; Y255-N297 WeakPolarHBondContact CD2-OD1 3.47Å; Y255-N297 PolarHBondContact N-OD1 2.87Å; Y255-N297 PolarHBondContact O-ND2 2.79Å; Y255-M300 HydrophobicContact CD2-CB 3.69Å; Y255-M300 HydrophobicContact CD2-CG 4.4Å; Y255-M300 HydrophobicContact CD2-SD 3.84Å; Y255-M300 HydrophobicContact CE2-CB 3.56Å; Y255-M300 HydrophobicContact CE2-SD 4.39Å; Y255-M300 HydrophobicContact CG-SD 3.92Å
256C95.6Very high97.2Very high1 Ų121.9 Ų21.91%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-74136.1175.7-62.30000112.3V221 H223 G258 E293 L314V221-C256 HydrophobicContact CB-CB 4.44Å; V221-C256 PolarHBondContact O-N 2.73Å; H223-C256 WeakPolarHBondContact CA-SG 3.3Å; C256-G258 VanDerWaalsContact C-N 3.31Å; C256-E293 WeakPolarHBondContact CA-OE2 3.13Å; C256-L314 HydrophobicContact CB-CD2 3.57Å; C256-L314 WeakPolarHBondContact SG-CD2 3.49Å
257G94.6Very high97.2Very high1 Ų121.9 Ų21.91%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-73.1-24.8162.500000112.7A259 E293G257-A259 VanDerWaalsContact C-N 3.34Å; G257-A259 PolarHBondContact O-N 2.88Å; G257-E293 PolarHBondContact N-OE2 2.84Å
258G94.3Very high97.2Very high5 Ų521.9 Ų21.95%0.05213%0.134CC..EExtended strand (participates in β ladder)trans-81.4-5-177.500000116.2L200 D201 C256L200-G258 CarbonylContact C-O 3.55Å; L200-G258 WeakPolarHBondContact CA-O 3.38Å; D201-G258 PolarHBondContact N-O 3.48Å; D201-G258 WeakPolarHBondContact OD2-CA 3.45Å; C256-G258 VanDerWaalsContact C-N 3.31Å
259A97.9Very high97.2Very high0 Ų020.7 Ų20.70%012%0.119CC..EExtended strand (participates in β ladder)trans-155119173.300000111.1C199 L200 W210 V221 G257 L314C199-A259 WeakPolarHBondContact O-CA 3.48Å; L200-A259 HydrophobicContact CD2-CB 3.96Å; W210-A259 HydrophobicContact CH2-CB 4.25Å; V221-A259 HydrophobicContact CB-CB 4.07Å; V221-A259 WeakPolarHBondContact CB-O 3.11Å; V221-A259 HydrophobicContact CG1-CB 4.46Å; V221-A259 HydrophobicContact CG2-CB 3.65Å; V221-A259 VanDerWaalsContact CG2-O 3.26Å; V221-A259 WeakPolarHBondContact CG2-O 3.13Å; G257-A259 VanDerWaalsContact C-N 3.34Å; G257-A259 PolarHBondContact O-N 2.88Å; A259-L314 HydrophobicContact CB-CB 4.46Å; A259-L314 HydrophobicContact CB-CD2 3.84Å
260F98.6Very high97.3Very high7 Ų718.2 Ų18.23%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-155.3170.6170.863.1-84.9000109.7M179 I182 F198 C199 V219 V267 L270 L296 M300M179-F260 HydrophobicContact CE-CE1 4.21Å; M179-F260 HydrophobicContact CE-CZ 3.95Å; M179-F260 HydrophobicContact SD-CZ 4.15Å; I182-F260 HydrophobicContact CD1-CZ 3.91Å; F198-F260 CarbonylContact C-O 3.48Å; F198-F260 WeakPolarHBondContact CA-O 3.22Å; C199-F260 HydrophobicContact CB-CD1 4.1Å; C199-F260 HydrophobicContact CB-CD2 4.25Å; C199-F260 HydrophobicContact CB-CE1 3.63Å; C199-F260 HydrophobicContact CB-CE2 3.8Å; C199-F260 HydrophobicContact CB-CG 4.39Å; C199-F260 HydrophobicContact CB-CZ 3.47Å; C199-F260 VanDerWaalsContact CB-CZ 3.47Å; C199-F260 PolarHBondContact N-O 3Å; C199-F260 PolarHBondContact O-N 2.79Å; C199-F260 VanDerWaalsContact O-N 3.16Å; V219-F260 WeakPolarHBondContact O-CA 3.36Å; F260-V267 HydrophobicContact CE2-CG1 4.12Å; F260-L270 HydrophobicContact CD2-CD2 4.3Å; F260-L270 HydrophobicContact CE2-CD2 3.9Å; F260-L270 HydrophobicContact CZ-CD2 4.43Å; F260-L296 HydrophobicContact CB-CD1 4.22Å; F260-L296 HydrophobicContact CD1-CD1 3.64Å; F260-L296 HydrophobicContact CE1-CD1 4.07Å; F260-L296 HydrophobicContact CG-CD1 3.88Å; F260-M300 HydrophobicContact CB-CE 4.04Å
261G98.5Very high97.2Very high0 Ų015.2 Ų15.20%08%0.079CC..EExtended strand (participates in β ladder)trans-178.4-162.2178.200000113.3I197 V219I197-G261 CarbonylContact O-C 3.21Å; I197-G261 WeakPolarHBondContact O-CA 3.26Å; V219-G261 WeakPolarHBondContact CA-O 3.46Å; V219-G261 WeakPolarHBondContact CB-O 3.36Å; V219-G261 PolarHBondContact N-O 3.37Å; V219-G261 PolarHBondContact O-N 3.17Å
262G98.1Very high97.2Very high0 Ų019.5 Ų19.50%010%0.1CC..EExtended strand (participates in β ladder)trans145.6-161.6-179.700000112.9Y196 I197 G216 E217Y196-G262 CarbonylContact C-O 3.54Å; Y196-G262 VanDerWaalsContact CA-O 3.3Å; Y196-G262 WeakPolarHBondContact CA-O 3.38Å; I197-G262 PolarHBondContact N-O 3.11Å; I197-G262 PolarHBondContact O-N 3.34Å; G216-G262 WeakPolarHBondContact O-CA 3.33Å; E217-G262 CarbonylContact O-C 3.54Å; E217-G262 WeakPolarHBondContact O-CA 3.42Å
263V96.9Very high97.2Very high11 Ų1119.7 Ų19.77%0.06710%0.102CC..EExtended strand (participates in β ladder)trans-73.5153.3170.9-56.60000109.4P50 Y196 G216 E217 A265 E266 V267P50-V263 HydrophobicContact CG-CB 4.15Å; P50-V263 HydrophobicContact CG-CG1 3.21Å; Y196-V263 HydrophobicContact CD1-CG1 3.83Å; Y196-V263 HydrophobicContact CE1-CG1 3.49Å; Y196-V263 VanDerWaalsContact CE1-CG1 3.49Å; G216-V263 PolarHBondContact O-N 2.89Å; E217-V263 HydrophobicContact CB-CG2 4.3Å; E217-V263 PolarHBondContact O-N 2.79Å; V263-A265 VanDerWaalsContact C-N 3.28Å; V263-A265 PolarHBondContact O-N 2.82Å; V263-E266 HydrophobicContact CG2-CB 3.88Å; V263-E266 HydrophobicContact CG2-CG 3.52Å; V263-E266 PolarHBondContact O-N 2.75Å; V263-V267 PolarHBondContact O-N 3.04Å; V263-V267 VanDerWaalsContact O-N 3.1Å
264L96.6Very high97.1Very high9 Ų917.3 Ų17.35%0.0479%0.092CC..Hα-helixtrans-56.1-40.6-173.9-64.5-173.4000113.3F47 I186 L190 V194 I197 H268F47-L264 HydrophobicContact CD1-CB 3.9Å; F47-L264 HydrophobicContact CE1-CB 4.23Å; I186-L264 HydrophobicContact CG1-CD2 4.37Å; I186-L264 HydrophobicContact CG2-CB 4.14Å; L190-L264 HydrophobicContact CB-CD1 3.81Å; L190-L264 HydrophobicContact CB-CD2 4.08Å; L190-L264 HydrophobicContact CD1-CD2 4.02Å; L190-L264 WeakPolarHBondContact O-CD1 3.34Å; V194-L264 HydrophobicContact CB-CD1 4.29Å; V194-L264 HydrophobicContact CG1-CD2 4.03Å; V194-L264 WeakPolarHBondContact O-CD1 3.46Å; I197-L264 HydrophobicContact CB-CD2 3.93Å; I197-L264 HydrophobicContact CG2-CD2 3.89Å; L264-H268 WeakPolarHBondContact O-CB 3.13Å; L264-H268 PolarHBondContact O-N 2.8Å
265A95.7Very high96.9Very high33 Ų3319.9 Ų19.927%0.27310%0.102SC..Hα-helixtrans-62-46.9-179.300000112.6F47 V263 H268 Q269F47-A265 HydrophobicContact CB-CB 3.83Å; F47-A265 HydrophobicContact CD2-CB 3.8Å; F47-A265 HydrophobicContact CG-CB 3.86Å; V263-A265 VanDerWaalsContact C-N 3.28Å; V263-A265 PolarHBondContact O-N 2.82Å; A265-H268 PolarHBondContact O-N 2.76Å; A265-Q269 PolarHBondContact O-N 2.84Å
266E97.4Very high96.7Very high53 Ų5325.3 Ų25.325%0.24813%0.125CC..Hα-helixtrans-69.4-40.8-178.4-67.9-61135.600111.9E217 L218 V263 H268 Q269 L270E217-E266 HydrophobicContact CB-CG 3.97Å; E217-E266 VanDerWaalsContact O-CB 3.24Å; E217-E266 WeakPolarHBondContact O-CB 3.45Å; E217-E266 WeakPolarHBondContact O-CG 3.49Å; L218-E266 HydrophobicContact CB-CB 4.3Å; V263-E266 HydrophobicContact CG2-CB 3.88Å; V263-E266 HydrophobicContact CG2-CG 3.52Å; V263-E266 PolarHBondContact O-N 2.75Å; E266-H268 VanDerWaalsContact C-N 3.34Å; E266-Q269 PolarHBondContact O-N 2.71Å; E266-L270 WeakPolarHBondContact O-CB 3.44Å; E266-L270 PolarHBondContact O-N 3.36Å
267V97.9Very high96.7Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-70.3-35.2177.6-179.70000111I182 I186 I197 F260 V263 L270 A271I182-V267 HydrophobicContact CG2-CG1 4.08Å; I186-V267 HydrophobicContact CD1-CB 4.22Å; I186-V267 HydrophobicContact CD1-CG1 4.01Å; I197-V267 HydrophobicContact CG2-CB 3.67Å; I197-V267 HydrophobicContact CG2-CG1 3.72Å; I197-V267 HydrophobicContact CG2-CG2 3.66Å; F260-V267 HydrophobicContact CE2-CG1 4.12Å; V263-V267 PolarHBondContact O-N 3.04Å; V263-V267 VanDerWaalsContact O-N 3.1Å; V267-L270 PolarHBondContact O-N 3.07Å; V267-A271 VanDerWaalsContact O-CB 3.26Å; V267-A271 WeakPolarHBondContact O-CB 3.38Å; V267-A271 PolarHBondContact O-N 3.48Å
268H97.1Very high96.4Very high19 Ų1928.1 Ų28.19%0.08814%0.139CC..Hα-helixtrans-60.9-48.4172.4175.4-100.2000111.4F47 I186 E187 L264 A265 E266 L270 A271 Q272F47-H268 HydrophobicContact CZ-CB 4.08Å; F47-H268 AromaticContact CZ-CG 3.87Å; I186-H268 HydrophobicContact CD1-CB 4.09Å; I186-H268 HydrophobicContact CG2-CB 3.96Å; E187-H268 WeakPolarHBondContact CG-NE2 3.36Å; E187-H268 IonicContact OE1-CD2 3.19Å; E187-H268 IonicContact OE1-CE1 3.48Å; E187-H268 IonicContact OE1-NE2 2.69Å; E187-H268 PolarHBondContact OE1-NE2 3.28Å; L264-H268 WeakPolarHBondContact O-CB 3.13Å; L264-H268 PolarHBondContact O-N 2.8Å; A265-H268 PolarHBondContact O-N 2.76Å; E266-H268 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 3.14Å; H268-A271 PolarHBondContact O-N 3.42Å; H268-Q272 VanDerWaalsContact O-CB 3.3Å; H268-Q272 WeakPolarHBondContact O-CB 3.13Å; H268-Q272 PolarHBondContact O-N 3Å
269Q98.1Very high96.3Very high85 Ų8531.4 Ų31.440%0.39715%0.153SC..Hα-helixtrans-63.3-41.2178.3-170.8176.4-13.200112.3A265 E266 T273 Y299A265-Q269 PolarHBondContact O-N 2.84Å; E266-Q269 PolarHBondContact O-N 2.71Å; Q269-T273 VanDerWaalsContact O-CB 3.31Å; Q269-T273 WeakPolarHBondContact O-CB 3.38Å; Q269-T273 PolarHBondContact O-N 3.29Å; Q269-T273 PolarHBondContact O-OG1 3.5Å; Q269-Y299 WeakPolarHBondContact CG-OH 3.47Å
270L97.9Very high96.2Very high0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-59.5-51.4173.5-179.9153.4000111M179 L218 F260 E266 V267 H268 T273 C274 Y299 M300M179-L270 HydrophobicContact CE-CD2 4Å; M179-L270 HydrophobicContact SD-CD2 4.04Å; L218-L270 HydrophobicContact CD1-CD1 3.81Å; F260-L270 HydrophobicContact CD2-CD2 4.3Å; F260-L270 HydrophobicContact CE2-CD2 3.9Å; F260-L270 HydrophobicContact CZ-CD2 4.43Å; E266-L270 WeakPolarHBondContact O-CB 3.44Å; E266-L270 PolarHBondContact O-N 3.36Å; V267-L270 PolarHBondContact O-N 3.07Å; H268-L270 PolarHBondContact O-N 3.14Å; L270-T273 PolarHBondContact O-N 2.92Å; L270-C274 WeakPolarHBondContact O-CB 3.23Å; L270-C274 PolarHBondContact O-N 3Å; L270-C274 PolarHBondContact O-SG 3.33Å; L270-Y299 HydrophobicContact CB-CD1 4.02Å; L270-Y299 HydrophobicContact CB-CE1 3.67Å; L270-Y299 HydrophobicContact CD1-CD1 3.72Å; L270-Y299 HydrophobicContact CD1-CE1 3.99Å; L270-Y299 HydrophobicContact CG-CD1 3.76Å; L270-Y299 HydrophobicContact CG-CE1 3.96Å; L270-Y299 HydrophobicContact CG-CG 4.23Å; L270-M300 HydrophobicContact CD1-CE 3.64Å; L270-M300 HydrophobicContact CD1-CG 4.42Å
271A96.7Very high96Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-62.6-46-177.200000111.4M179 I182 Q183 V267 H268 T273 C274 R275M179-A271 HydrophobicContact SD-CB 4.25Å; I182-A271 HydrophobicContact CB-CB 4.37Å; I182-A271 HydrophobicContact CG2-CB 4.01Å; Q183-A271 HydrophobicContact CB-CB 4.28Å; V267-A271 VanDerWaalsContact O-CB 3.26Å; V267-A271 WeakPolarHBondContact O-CB 3.38Å; V267-A271 PolarHBondContact O-N 3.48Å; H268-A271 PolarHBondContact O-N 3.42Å; A271-T273 PolarHBondContact O-N 3.24Å; A271-C274 PolarHBondContact O-N 3.45Å; A271-R275 WeakPolarHBondContact O-CB 3.38Å; A271-R275 PolarHBondContact O-N 3.3Å
272Q96.2Very high95.6Very high91 Ų9135.2 Ų35.243%0.42518%0.181SC..Hα-helixtrans-60-45.1176.9-173.7-175.94800111.6Q183 H268 K276Q183-Q272 HydrophobicContact CG-CB 4.47Å; H268-Q272 VanDerWaalsContact O-CB 3.3Å; H268-Q272 WeakPolarHBondContact O-CB 3.13Å; H268-Q272 PolarHBondContact O-N 3Å; Q272-K276 WeakPolarHBondContact O-CB 3.37Å; Q272-K276 PolarHBondContact O-N 3.35Å
273T97.4Very high95.4Very high41 Ų4142.3 Ų42.325%0.25221%0.212SC..Hα-helixtrans-68.8-44.6-179.3-57.30000111.6Q269 L270 A271 K276 N277 Y299Q269-T273 VanDerWaalsContact O-CB 3.31Å; Q269-T273 WeakPolarHBondContact O-CB 3.38Å; Q269-T273 PolarHBondContact O-N 3.29Å; Q269-T273 PolarHBondContact O-OG1 3.5Å; L270-T273 PolarHBondContact O-N 2.92Å; A271-T273 PolarHBondContact O-N 3.24Å; T273-K276 PolarHBondContact O-N 3.22Å; T273-N277 WeakPolarHBondContact O-CB 3.31Å; T273-N277 VanDerWaalsContact O-CG 3.24Å; T273-N277 PolarHBondContact O-N 3.41Å; T273-N277 PolarHBondContact O-ND2 3.3Å; T273-Y299 HydrophobicContact CG2-CD2 3.7Å; T273-Y299 HydrophobicContact CG2-CE2 4.03Å
274C96.3Very high95.4Very high2 Ų246.8 Ų46.81%0.01423%0.232CC..Hα-helixtrans-63.6-44178-67.60000111.4M179 L270 A271 N277 F278 H295M179-C274 HydrophobicContact CE-CB 4.17Å; M179-C274 HydrophobicContact CG-CB 3.91Å; M179-C274 HydrophobicContact SD-CB 4.13Å; L270-C274 WeakPolarHBondContact O-CB 3.23Å; L270-C274 PolarHBondContact O-N 3Å; L270-C274 PolarHBondContact O-SG 3.33Å; A271-C274 PolarHBondContact O-N 3.45Å; C274-N277 PolarHBondContact O-N 3.48Å; C274-F278 WeakPolarHBondContact O-CB 3.46Å; C274-F278 PolarHBondContact O-N 3.03Å; C274-H295 HydrophobicContact CB-CB 4.2Å
275R93.8Very high95.3Very high57 Ų5750 Ų5022%0.21527%0.267CS..Hα-helixtrans-56.1-53.9174177.1-165174.1151.512.5111M179 E180 Q183 A271 N277 F278 E279M179-R275 HydrophobicContact CB-CB 4.11Å; E180-R275 HydrophobicContact CB-CG 4.42Å; E180-R275 IonicContact OE1-CZ 2.79Å; E180-R275 IonicContact OE1-NH1 3.48Å; E180-R275 IonicContact OE1-NH2 2.71Å; E180-R275 PolarHBondContact OE1-NH2 3.02Å; Q183-R275 VanDerWaalsContact OE1-NH1 3.11Å; A271-R275 WeakPolarHBondContact O-CB 3.38Å; A271-R275 PolarHBondContact O-N 3.3Å; R275-N277 VanDerWaalsContact C-N 3.33Å; R275-N277 PolarHBondContact O-N 2.82Å; R275-F278 PolarHBondContact O-N 3.24Å; R275-E279 HydrophobicContact CG-CG 4.5Å; R275-E279 WeakPolarHBondContact CG-OE1 3.4Å; R275-E279 IonicContact CZ-OE1 3.47Å; R275-E279 IonicContact NE-OE1 3.7Å; R275-E279 PolarHBondContact NE-OE1 3.28Å; R275-E279 IonicContact NH2-OE1 2.69Å; R275-E279 PolarHBondContact NH2-OE1 3.06Å; R275-E279 WeakPolarHBondContact O-CG 3.35Å; R275-E279 PolarHBondContact O-N 3.24Å
276K95Very high95.3Very high116 Ų11649.8 Ų49.850%0.50426%0.261SS..Hα-helixtrans-57.3-47.1-179.8175.7173.1170.1470111.7Q272 T273 F278 E279 D280Q272-K276 WeakPolarHBondContact O-CB 3.37Å; Q272-K276 PolarHBondContact O-N 3.35Å; T273-K276 PolarHBondContact O-N 3.22Å; K276-F278 VanDerWaalsContact C-N 3.32Å; K276-F278 PolarHBondContact O-N 3.06Å; K276-E279 PolarHBondContact O-N 3.28Å; K276-D280 IonicContact NZ-OD2 2.99Å; K276-D280 PolarHBondContact NZ-OD2 3.06Å; K276-D280 WeakPolarHBondContact O-CB 3.37Å; K276-D280 VanDerWaalsContact O-CG 3.29Å; K276-D280 PolarHBondContact O-N 3.07Å
277N95.3Very high95.1Very high31 Ų3149.9 Ų49.917%0.16626%0.262CS..Hα-helixtrans-63.3-39.1-179.9-74.5-16000112.3R243 T273 C274 R275 D281 H295R243-N277 HydrophobicContact CB-CB 3.7Å; R243-N277 HydrophobicContact CG-CB 4.37Å; T273-N277 WeakPolarHBondContact O-CB 3.31Å; T273-N277 VanDerWaalsContact O-CG 3.24Å; T273-N277 PolarHBondContact O-N 3.41Å; T273-N277 PolarHBondContact O-ND2 3.3Å; C274-N277 PolarHBondContact O-N 3.48Å; R275-N277 VanDerWaalsContact C-N 3.33Å; R275-N277 PolarHBondContact O-N 2.82Å; N277-D281 WeakPolarHBondContact O-CB 3.44Å; N277-D281 PolarHBondContact O-N 2.89Å; N277-H295 WeakPolarHBondContact CB-ND1 3.47Å
278F89.6Confident94.9Very high30 Ų3050 Ų5013%0.13226%0.262CS..Hα-helixtrans-64.5-47.1175.1-177.7-83.3000111.6A176 C274 R275 K276 D280 D281 A282 H295A176-F278 HydrophobicContact CB-CD1 3.44Å; A176-F278 VanDerWaalsContact CB-CD1 3.44Å; A176-F278 HydrophobicContact CB-CD2 4Å; A176-F278 HydrophobicContact CB-CE1 3.19Å; A176-F278 HydrophobicContact CB-CE2 3.77Å; A176-F278 HydrophobicContact CB-CG 3.85Å; A176-F278 HydrophobicContact CB-CZ 3.38Å; C274-F278 WeakPolarHBondContact O-CB 3.46Å; C274-F278 PolarHBondContact O-N 3.03Å; R275-F278 PolarHBondContact O-N 3.24Å; K276-F278 VanDerWaalsContact C-N 3.32Å; K276-F278 PolarHBondContact O-N 3.06Å; F278-D280 VanDerWaalsContact C-N 3.31Å; F278-D280 PolarHBondContact O-N 3.26Å; F278-D281 PolarHBondContact O-N 3.33Å; F278-A282 WeakPolarHBondContact O-CB 3.43Å; F278-A282 PolarHBondContact O-N 2.85Å; F278-H295 AromaticContact CD2-NE2 3.97Å
279E91.4Very high94.7Very high74 Ų7451.3 Ų51.335%0.34628%0.276SS..Hα-helixtrans-62.2-38.7177.9-72.2174.4-176.800112R275 K276 A282 K283R275-E279 HydrophobicContact CG-CG 4.5Å; R275-E279 WeakPolarHBondContact CG-OE1 3.4Å; R275-E279 IonicContact CZ-OE1 3.47Å; R275-E279 IonicContact NE-OE1 3.7Å; R275-E279 PolarHBondContact NE-OE1 3.28Å; R275-E279 IonicContact NH2-OE1 2.69Å; R275-E279 PolarHBondContact NH2-OE1 3.06Å; R275-E279 WeakPolarHBondContact O-CG 3.35Å; R275-E279 PolarHBondContact O-N 3.24Å; K276-E279 PolarHBondContact O-N 3.28Å; E279-A282 PolarHBondContact O-N 3.37Å; E279-K283 VanDerWaalsContact O-CG 3.27Å; E279-K283 WeakPolarHBondContact O-CG 3.29Å; E279-K283 PolarHBondContact O-N 3.05Å
280D95Very high94.5Very high30 Ų3053.1 Ų53.116%0.1628%0.28CS..Hα-helixtrans-71.3-41.1178.4-69.7-19000111.5R243 K276 F278 A282 K283 E284R243-D280 HydrophobicContact CG-CB 4.42Å; K276-D280 IonicContact NZ-OD2 2.99Å; K276-D280 PolarHBondContact NZ-OD2 3.06Å; K276-D280 WeakPolarHBondContact O-CB 3.37Å; K276-D280 VanDerWaalsContact O-CG 3.29Å; K276-D280 PolarHBondContact O-N 3.07Å; F278-D280 VanDerWaalsContact C-N 3.31Å; F278-D280 PolarHBondContact O-N 3.26Å; D280-A282 VanDerWaalsContact C-N 3.34Å; D280-A282 PolarHBondContact O-N 2.66Å; D280-K283 PolarHBondContact O-N 3.11Å; D280-K283 IonicContact OD1-NZ 3.67Å; D280-K283 PolarHBondContact OD1-NZ 2.94Å; D280-E284 PolarHBondContact O-N 2.87Å
281D95.4Very high94.2Very high1 Ų154 Ų541%0.00528%0.284CS..Hα-helixtrans-59.6-44.5170.8-88.52000111.4S242 R243 N277 F278 K283 E284 G285 I286 H295S242-D281 WeakPolarHBondContact CA-OD1 3.36Å; S242-D281 WeakPolarHBondContact CB-OD2 3.23Å; S242-D281 PolarHBondContact OG-OD2 3.27Å; R243-D281 VanDerWaalsContact CG-OD1 3.32Å; R243-D281 WeakPolarHBondContact CG-OD1 3.31Å; R243-D281 PolarHBondContact N-OD1 2.93Å; R243-D281 PolarHBondContact N-OD2 2.77Å; N277-D281 WeakPolarHBondContact O-CB 3.44Å; N277-D281 PolarHBondContact O-N 2.89Å; F278-D281 PolarHBondContact O-N 3.33Å; D281-K283 VanDerWaalsContact C-N 3.34Å; D281-K283 PolarHBondContact O-N 3.48Å; D281-E284 CarbonylContact O-C 3.45Å; D281-E284 WeakPolarHBondContact O-CA 3.38Å; D281-E284 PolarHBondContact O-N 3.04Å; D281-G285 PolarHBondContact O-N 2.91Å; D281-G285 VanDerWaalsContact O-N 3.14Å; D281-I286 CarbonylContact C-O 3.51Å; D281-I286 HydrophobicContact CB-CB 4.07Å; D281-I286 HydrophobicContact CB-CG2 4.25Å; D281-I286 WeakPolarHBondContact O-CA 3.45Å; D281-I286 PolarHBondContact O-N 3.2Å; D281-H295 IonicContact OD2-CE1 2.86Å; D281-H295 PolarHBondContact OD2-CE1 3.05Å; D281-H295 VanDerWaalsContact OD2-CE1 3.25Å; D281-H295 IonicContact OD2-NE2 3.43Å
282A90.8Very high93.8Very high56 Ų5655 Ų5546%0.46329%0.289SS..Hα-helixtrans-62.7-38.3179.500000112.6F278 E279 D280 E284 G285 I286F278-A282 WeakPolarHBondContact O-CB 3.43Å; F278-A282 PolarHBondContact O-N 2.85Å; E279-A282 PolarHBondContact O-N 3.37Å; D280-A282 VanDerWaalsContact C-N 3.34Å; D280-A282 PolarHBondContact O-N 2.66Å; A282-E284 PolarHBondContact O-N 3.03Å; A282-G285 PolarHBondContact O-N 3.11Å; A282-G285 VanDerWaalsContact O-N 3.07Å; A282-I286 PolarHBondContact N-O 3.4Å
283K93.6Very high93.8Very high150 Ų15051.9 Ų51.965%0.65227%0.274SS*.Hα-helixtrans-62.3-30.2173.7-72.2165.9-159.1158.50112.3E279 D280 D281 G285E279-K283 VanDerWaalsContact O-CG 3.27Å; E279-K283 WeakPolarHBondContact O-CG 3.29Å; E279-K283 PolarHBondContact O-N 3.05Å; D280-K283 PolarHBondContact O-N 3.11Å; D280-K283 IonicContact OD1-NZ 3.67Å; D280-K283 PolarHBondContact OD1-NZ 2.94Å; D281-K283 VanDerWaalsContact C-N 3.34Å; D281-K283 PolarHBondContact O-N 3.48Å; K283-G285 VanDerWaalsContact C-N 3.32Å
284E96.1Very high93.8Very high105 Ų10550 Ų5049%0.49126%0.262SS..THydrogen-bonded Turntrans-90.15177.3-64.3-177.2-155.400112.6R243 D280 D281 A282 I286R243-E284 IonicContact CZ-OE1 3.38Å; R243-E284 IonicContact NH2-OE1 3.27Å; R243-E284 PolarHBondContact NH2-OE1 3.39Å; R243-E284 IonicContact NH2-OE2 2.84Å; D280-E284 PolarHBondContact O-N 2.87Å; D281-E284 CarbonylContact O-C 3.45Å; D281-E284 WeakPolarHBondContact O-CA 3.38Å; D281-E284 PolarHBondContact O-N 3.04Å; A282-E284 PolarHBondContact O-N 3.03Å; E284-I286 VanDerWaalsContact C-N 3.3Å; E284-I286 HydrophobicContact CB-CD1 4.23Å; E284-I286 HydrophobicContact CB-CG1 4.38Å
285G94.6Very high93.9Very high75 Ų7550 Ų5077%0.77326%0.262SS*.THydrogen-bonded Turntrans72.922-179.700000113.7D281 A282 K283D281-G285 PolarHBondContact O-N 2.91Å; D281-G285 VanDerWaalsContact O-N 3.14Å; A282-G285 PolarHBondContact O-N 3.11Å; A282-G285 VanDerWaalsContact O-N 3.07Å; K283-G285 VanDerWaalsContact C-N 3.32Å
286I95.3Very high94.1Very high30 Ų3047.2 Ų47.215%0.15425%0.252CS..  trans-105.4135.5-179.2-59.9173.7000109A241 D281 A282 E284A241-I286 HydrophobicContact CB-CD1 3.56Å; A241-I286 WeakPolarHBondContact O-CD1 3.19Å; D281-I286 CarbonylContact C-O 3.51Å; D281-I286 HydrophobicContact CB-CB 4.07Å; D281-I286 HydrophobicContact CB-CG2 4.25Å; D281-I286 WeakPolarHBondContact O-CA 3.45Å; D281-I286 PolarHBondContact O-N 3.2Å; A282-I286 PolarHBondContact N-O 3.4Å; E284-I286 VanDerWaalsContact C-N 3.3Å; E284-I286 HydrophobicContact CB-CD1 4.23Å; E284-I286 HydrophobicContact CB-CG1 4.38Å
287E92.7Very high94.3Very high55 Ų5541.7 Ų41.726%0.25723%0.228SC..  trans-121.8122.3165.2-173.2175.210900107.6R170 R239 Q291R170-E287 IonicContact CZ-OE2 2.63Å; R170-E287 VanDerWaalsContact CZ-OE2 3.27Å; R170-E287 IonicContact NH1-OE2 3.45Å; R170-E287 PolarHBondContact NH1-OE2 2.8Å; R170-E287 IonicContact NH2-OE2 2.67Å; R170-E287 PolarHBondContact NH2-OE2 3.49Å; R239-E287 PolarHBondContact NH2-O 2.98Å; E287-Q291 HydrophobicContact CG-CG 4.32Å; E287-Q291 PolarHBondContact OE1-NE2 2.75Å; E287-Q291 VanDerWaalsContact OE1-NE2 3.16Å
288A94.7Very high94.4Very high1 Ų143 Ų431%0.00823%0.23CC..  trans-62.3149.2-178.900000111.7E237 A244 W290 Q291E237-A288 VanDerWaalsContact OE2-CA 3.32Å; E237-A288 WeakPolarHBondContact OE2-CA 3.29Å; A244-A288 HydrophobicContact CB-CB 3.88Å; A288-W290 PolarHBondContact O-N 3.4Å; A288-W290 VanDerWaalsContact O-N 3.09Å; A288-Q291 PolarHBondContact O-N 2.73Å
289A93.7Very high94.8Very high47 Ų4742 Ų4239%0.38823%0.225SC..THydrogen-bonded Turntrans-52-38.7-169.700000114.4E237E237-A289 PolarHBondContact OE2-N 2.75Å
290W93.6Very high95.2Very high123 Ų12338.4 Ų38.447%0.46621%0.209SC..THydrogen-bonded Turntrans-125.241.6174.5-61.392.5000111.2A288 E292 E293 S294A288-W290 PolarHBondContact O-N 3.4Å; A288-W290 VanDerWaalsContact O-N 3.09Å; W290-E292 PolarHBondContact O-N 3.24Å; W290-E293 HydrophobicContact CB-CB 4.22Å; W290-E293 WeakPolarHBondContact O-CB 3.47Å; W290-E293 PolarHBondContact O-N 2.83Å; W290-S294 WeakPolarHBondContact CA-OG 3.22Å; W290-S294 WeakPolarHBondContact CB-OG 3.42Å; W290-S294 PolarHBondContact N-OG 3.34Å; W290-S294 PolarHBondContact O-N 2.66Å
291Q90.5Very high95.3Very high20 Ų2039.4 Ų39.49%0.09321%0.211CC..Hα-helixtrans46.2-121.4173.5-62.681.918.400112.6Q172 E287 A288 E293 S294 H295Q172-Q291 HydrophobicContact CB-CG 4.13Å; Q172-Q291 HydrophobicContact CG-CG 3.91Å; E287-Q291 HydrophobicContact CG-CG 4.32Å; E287-Q291 PolarHBondContact OE1-NE2 2.75Å; E287-Q291 VanDerWaalsContact OE1-NE2 3.16Å; A288-Q291 PolarHBondContact O-N 2.73Å; Q291-E293 PolarHBondContact O-N 2.66Å; Q291-S294 WeakPolarHBondContact O-CB 3.44Å; Q291-S294 PolarHBondContact O-N 2.77Å; Q291-H295 PolarHBondContact O-CD2 3.48Å
292E90Very high95.4Very high21 Ų2144.2 Ų44.210%0.09824%0.235CC..Hα-helixtrans-65.1-33.6-179.282.1-61.2167.900113.3S175 R178 M179 W290 S294 H295 L296S175-E292 WeakPolarHBondContact CB-OE2 3.45Å; S175-E292 PolarHBondContact OG-OE1 3.49Å; S175-E292 PolarHBondContact OG-OE2 3.45Å; R178-E292 IonicContact CZ-OE1 3.71Å; R178-E292 IonicContact NH2-OE1 2.93Å; R178-E292 PolarHBondContact NH2-OE1 3.29Å; R178-E292 IonicContact NH2-OE2 3.27Å; M179-E292 HydrophobicContact CE-CB 4.35Å; M179-E292 HydrophobicContact CE-CG 4.48Å; W290-E292 PolarHBondContact O-N 3.24Å; E292-S294 PolarHBondContact O-N 3.15Å; E292-H295 PolarHBondContact O-N 3.24Å; E292-L296 WeakPolarHBondContact O-CB 3.3Å; E292-L296 PolarHBondContact O-N 2.69Å
293E96Very high95.8Very high25 Ų2544.4 Ų44.412%0.11723%0.229CC..Hα-helixtrans-63.6-33.7179.1-176.2169.286.400110.1Y254 C256 G257 W290 Q291 N297Y254-E293 HydrophobicContact CE1-CG 4.25Å; Y254-E293 VanDerWaalsContact CE1-OE1 3.24Å; Y254-E293 WeakPolarHBondContact CE1-OE1 3.48Å; Y254-E293 PolarHBondContact OH-OE1 3.16Å; C256-E293 WeakPolarHBondContact CA-OE2 3.13Å; G257-E293 PolarHBondContact N-OE2 2.84Å; W290-E293 HydrophobicContact CB-CB 4.22Å; W290-E293 WeakPolarHBondContact O-CB 3.47Å; W290-E293 PolarHBondContact O-N 2.83Å; Q291-E293 PolarHBondContact O-N 2.66Å; E293-N297 WeakPolarHBondContact O-CB 3.23Å; E293-N297 PolarHBondContact O-N 3.25Å; E293-N297 PolarHBondContact O-ND2 3.29Å
294S97.4Very high96Very high1 Ų140.8 Ų40.81%0.00721%0.213CC..Hα-helixtrans-66-46.2173.9-62.80000112.2W290 Q291 E292 N297 R298W290-S294 WeakPolarHBondContact CA-OG 3.22Å; W290-S294 WeakPolarHBondContact CB-OG 3.42Å; W290-S294 PolarHBondContact N-OG 3.34Å; W290-S294 PolarHBondContact O-N 2.66Å; Q291-S294 WeakPolarHBondContact O-CB 3.44Å; Q291-S294 PolarHBondContact O-N 2.77Å; E292-S294 PolarHBondContact O-N 3.15Å; S294-N297 PolarHBondContact O-N 3.12Å; S294-R298 PolarHBondContact O-N 2.87Å
295H97.4Very high96.2Very high1 Ų135.8 Ų35.81%0.00519%0.19CC..Hα-helixtrans-66.8-38.4177-65.9-75.7000112.2C274 N277 F278 D281 Q291 E292 R298 Y299C274-H295 HydrophobicContact CB-CB 4.2Å; N277-H295 WeakPolarHBondContact CB-ND1 3.47Å; F278-H295 AromaticContact CD2-NE2 3.97Å; D281-H295 IonicContact OD2-CE1 2.86Å; D281-H295 PolarHBondContact OD2-CE1 3.05Å; D281-H295 VanDerWaalsContact OD2-CE1 3.25Å; D281-H295 IonicContact OD2-NE2 3.43Å; Q291-H295 PolarHBondContact O-CD2 3.48Å; E292-H295 PolarHBondContact O-N 3.24Å; H295-R298 PolarHBondContact O-N 3.4Å; H295-Y299 WeakPolarHBondContact O-CB 3.46Å; H295-Y299 PolarHBondContact O-N 3.36Å
296L97.9Very high96.3Very high0 Ų034.1 Ų34.10%017%0.166CC..Hα-helixtrans-61.5-46.4175.3177.8147000111.1M179 F260 E292 R298 Y299 M300M179-L296 HydrophobicContact CE-CD1 4.37Å; F260-L296 HydrophobicContact CB-CD1 4.22Å; F260-L296 HydrophobicContact CD1-CD1 3.64Å; F260-L296 HydrophobicContact CE1-CD1 4.07Å; F260-L296 HydrophobicContact CG-CD1 3.88Å; E292-L296 WeakPolarHBondContact O-CB 3.3Å; E292-L296 PolarHBondContact O-N 2.69Å; L296-R298 VanDerWaalsContact C-N 3.35Å; L296-R298 PolarHBondContact O-N 2.98Å; L296-Y299 WeakPolarHBondContact O-CB 3.45Å; L296-Y299 PolarHBondContact O-N 3.44Å; L296-M300 HydrophobicContact CD1-CE 4.24Å; L296-M300 HydrophobicContact CD2-CE 4.05Å; L296-M300 HydrophobicContact CD2-CG 4.44Å; L296-M300 HydrophobicContact CD2-SD 3.61Å; L296-M300 HydrophobicContact CG-CE 4.07Å; L296-M300 HydrophobicContact CG-SD 4.13Å; L296-M300 WeakPolarHBondContact O-CG 3.32Å; L296-M300 PolarHBondContact O-N 3.12Å
297N98.6Very high96.5Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-63.2-41177.1-87.5-82.5000111.9Y236 Y254 Y255 E293 S294 Y299 M300 W301Y236-N297 HydrophobicContact CD1-CB 3.86Å; Y236-N297 HydrophobicContact CE1-CB 3.68Å; Y254-N297 WeakPolarHBondContact CA-OD1 3.4Å; Y255-N297 WeakPolarHBondContact CD2-OD1 3.47Å; Y255-N297 PolarHBondContact N-OD1 2.87Å; Y255-N297 PolarHBondContact O-ND2 2.79Å; E293-N297 WeakPolarHBondContact O-CB 3.23Å; E293-N297 PolarHBondContact O-N 3.25Å; E293-N297 PolarHBondContact O-ND2 3.29Å; S294-N297 PolarHBondContact O-N 3.12Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; N297-M300 PolarHBondContact O-N 2.91Å; N297-W301 VanDerWaalsContact O-CB 3.31Å; N297-W301 WeakPolarHBondContact O-CB 3.45Å; N297-W301 PolarHBondContact O-N 3.19Å
298R98.4Very high96.8Very high59 Ų5931.4 Ų31.422%0.22315%0.152CC..Hα-helixtrans-61.4-43.4172.8178.158.3174.61786.9111.9Y245 V246 E250 S294 H295 L296 W301 L302Y245-R298 VanDerWaalsContact O-CD 3.23Å; Y245-R298 WeakPolarHBondContact O-CD 3.12Å; Y245-R298 VanDerWaalsContact O-CZ 3.25Å; Y245-R298 PolarHBondContact O-NE 3.47Å; Y245-R298 PolarHBondContact O-NH1 2.96Å; V246-R298 HydrophobicContact CG2-CB 4.4Å; E250-R298 IonicContact OE2-NH1 2.66Å; E250-R298 PolarHBondContact OE2-NH1 3.42Å; S294-R298 PolarHBondContact O-N 2.87Å; H295-R298 PolarHBondContact O-N 3.4Å; L296-R298 VanDerWaalsContact C-N 3.35Å; L296-R298 PolarHBondContact O-N 2.98Å; R298-W301 PolarHBondContact O-N 3.45Å; R298-L302 PolarHBondContact O-N 3.32Å
299Y98.6Very high97Very high7 Ų731.4 Ų31.43%0.02715%0.152CC..Hα-helixtrans-61.9-50.3177.9-176.7-89000111.3L218 Q269 L270 T273 H295 L296 N297 W301 L302 N303L218-Y299 HydrophobicContact CD2-CE1 4Å; Q269-Y299 WeakPolarHBondContact CG-OH 3.47Å; L270-Y299 HydrophobicContact CB-CD1 4.02Å; L270-Y299 HydrophobicContact CB-CE1 3.67Å; L270-Y299 HydrophobicContact CD1-CD1 3.72Å; L270-Y299 HydrophobicContact CD1-CE1 3.99Å; L270-Y299 HydrophobicContact CG-CD1 3.76Å; L270-Y299 HydrophobicContact CG-CE1 3.96Å; L270-Y299 HydrophobicContact CG-CG 4.23Å; T273-Y299 HydrophobicContact CG2-CD2 3.7Å; T273-Y299 HydrophobicContact CG2-CE2 4.03Å; H295-Y299 WeakPolarHBondContact O-CB 3.46Å; H295-Y299 PolarHBondContact O-N 3.36Å; L296-Y299 WeakPolarHBondContact O-CB 3.45Å; L296-Y299 PolarHBondContact O-N 3.44Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; Y299-W301 VanDerWaalsContact C-N 3.3Å; Y299-W301 PolarHBondContact O-N 3.09Å; Y299-L302 PolarHBondContact O-N 3.27Å; Y299-L302 VanDerWaalsContact O-N 3.14Å; Y299-N303 HydrophobicContact CD1-CB 4.08Å; Y299-N303 WeakPolarHBondContact CD2-ND2 3.32Å; Y299-N303 HydrophobicContact CE1-CB 3.68Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.45Å; Y299-N303 WeakPolarHBondContact O-CB 3.41Å; Y299-N303 PolarHBondContact O-N 3.32Å; Y299-N303 PolarHBondContact O-ND2 3.03Å
300M98.4Very high97.2Very high0 Ų029.1 Ų29.10%013%0.134CC..Hα-helixtrans-72.9-21-177.3-68.8-177172.200113.5L218 A220 Y255 F260 L270 L296 N297 N303 P305L218-M300 HydrophobicContact CD1-CE 4.25Å; L218-M300 HydrophobicContact CD2-CG 4.49Å; A220-M300 HydrophobicContact CB-CE 3.88Å; A220-M300 HydrophobicContact CB-SD 3.4Å; A220-M300 WeakPolarHBondContact CB-SD 3.24Å; Y255-M300 HydrophobicContact CD2-CB 3.69Å; Y255-M300 HydrophobicContact CD2-CG 4.4Å; Y255-M300 HydrophobicContact CD2-SD 3.84Å; Y255-M300 HydrophobicContact CE2-CB 3.56Å; Y255-M300 HydrophobicContact CE2-SD 4.39Å; Y255-M300 HydrophobicContact CG-SD 3.92Å; F260-M300 HydrophobicContact CB-CE 4.04Å; L270-M300 HydrophobicContact CD1-CE 3.64Å; L270-M300 HydrophobicContact CD1-CG 4.42Å; L296-M300 HydrophobicContact CD1-CE 4.24Å; L296-M300 HydrophobicContact CD2-CE 4.05Å; L296-M300 HydrophobicContact CD2-CG 4.44Å; L296-M300 HydrophobicContact CD2-SD 3.61Å; L296-M300 HydrophobicContact CG-CE 4.07Å; L296-M300 HydrophobicContact CG-SD 4.13Å; L296-M300 WeakPolarHBondContact O-CG 3.32Å; L296-M300 PolarHBondContact O-N 3.12Å; N297-M300 PolarHBondContact O-N 2.91Å; M300-N303 CarbonylContact C-O 3.57Å; M300-N303 WeakPolarHBondContact CA-O 3.24Å; M300-N303 CarbonylContact O-C 3.53Å; M300-P305 HydrophobicContact CB-CG 4.08Å; M300-P305 HydrophobicContact CG-CG 4.16Å; M300-P305 HydrophobicContact SD-CG 4.18Å
301W97.8Very high97.5Very high51 Ų5123.3 Ų23.319%0.19311%0.112CC..Hα-helixtrans-65-43.1167.1164.1-121.9000111.5E250 G251 D252 N297 R298 Y299 K304E250-W301 HydrophobicContact CB-CZ2 4.05Å; E250-W301 HydrophobicContact CG-CZ2 4.17Å; G251-W301 VanDerWaalsContact CA-CE3 3.46Å; D252-W301 WeakPolarHBondContact OD1-CZ3 3.03Å; D252-W301 WeakPolarHBondContact OD2-CZ3 3.13Å; N297-W301 VanDerWaalsContact O-CB 3.31Å; N297-W301 WeakPolarHBondContact O-CB 3.45Å; N297-W301 PolarHBondContact O-N 3.19Å; R298-W301 PolarHBondContact O-N 3.45Å; Y299-W301 VanDerWaalsContact C-N 3.3Å; Y299-W301 PolarHBondContact O-N 3.09Å; W301-K304 WeakPolarHBondContact O-CE 3.47Å; W301-K304 PolarHBondContact O-NZ 2.93Å
302L98.3Very high97.8Very high101 Ų10122.4 Ų22.453%0.52911%0.107SC..Hα-helixtrans-83.8-36.5-179.3-62.9171.1000112.4R298 Y299R298-L302 PolarHBondContact O-N 3.32Å; Y299-L302 PolarHBondContact O-N 3.27Å; Y299-L302 VanDerWaalsContact O-N 3.14Å
303N98.4Very high98.3Very high60 Ų6021.4 Ų21.432%0.32110%0.103SC..SBendtrans-110.893.6-178.9-54.9-80.9000108.4Y299 M300 P305Y299-N303 HydrophobicContact CD1-CB 4.08Å; Y299-N303 WeakPolarHBondContact CD2-ND2 3.32Å; Y299-N303 HydrophobicContact CE1-CB 3.68Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.45Å; Y299-N303 WeakPolarHBondContact O-CB 3.41Å; Y299-N303 PolarHBondContact O-N 3.32Å; Y299-N303 PolarHBondContact O-ND2 3.03Å; M300-N303 CarbonylContact C-O 3.57Å; M300-N303 WeakPolarHBondContact CA-O 3.24Å; M300-N303 CarbonylContact O-C 3.53Å; N303-P305 WeakPolarHBondContact O-CD 3.41Å
304K98.6Very high98.3Very high75 Ų7521 Ų2133%0.32610%0.101SC..  trans-62.9125.5-170.7-58.6-54-172.7-172.60111.3W80 D252 W301 S306W80-K304 HydrophobicContact CD2-CB 4.04Å; W80-K304 HydrophobicContact CD2-CD 4.26Å; W80-K304 HydrophobicContact CD2-CG 4.18Å; W80-K304 HydrophobicContact CE3-CD 4.26Å; W80-K304 HydrophobicContact CG-CB 3.96Å; W80-K304 HydrophobicContact CG-CG 4.19Å; W80-K304 HydrophobicContact CZ3-CD 4.49Å; D252-K304 IonicContact OD1-NZ 3.71Å; D252-K304 IonicContact OD2-NZ 3.68Å; D252-K304 PolarHBondContact OD2-NZ 2.9Å; W301-K304 WeakPolarHBondContact O-CE 3.47Å; W301-K304 PolarHBondContact O-NZ 2.93Å; K304-S306 PolarHBondContact O-N 3.47Å
305P98.6Very high98.4Very high0 Ų021 Ų210%010%0.101CC..  trans-59.6132.8175.4-22.632.1000111.2W80 A82 L218 A220 M300 N303 K307 V308W80-P305 PolarHBondContact NE1-O 3.5Å; A82-P305 VanDerWaalsContact CB-O 3.25Å; A82-P305 WeakPolarHBondContact CB-O 3.47Å; L218-P305 HydrophobicContact CG-CB 4.38Å; L218-P305 CarbonylContact O-C 3.52Å; L218-P305 WeakPolarHBondContact O-CA 3.25Å; L218-P305 WeakPolarHBondContact O-CB 3.49Å; A220-P305 HydrophobicContact CB-CB 3.83Å; A220-P305 HydrophobicContact CB-CG 3.55Å; M300-P305 HydrophobicContact CB-CG 4.08Å; M300-P305 HydrophobicContact CG-CG 4.16Å; M300-P305 HydrophobicContact SD-CG 4.18Å; N303-P305 WeakPolarHBondContact O-CD 3.41Å; P305-K307 PolarHBondContact O-N 3.33Å; P305-V308 HydrophobicContact CB-CG2 4.27Å
306S98.3Very high98.2Very high39 Ų3922.9 Ų22.927%0.27311%0.11SC..SBendtrans-75.9-10.417459.30000112.7A82 P83 E217 L218 K304A82-S306 WeakPolarHBondContact CB-O 3.46Å; P83-S306 WeakPolarHBondContact CD-O 3.32Å; E217-S306 WeakPolarHBondContact CA-OG 3.42Å; E217-S306 VanDerWaalsContact CB-OG 3.32Å; E217-S306 WeakPolarHBondContact CB-OG 3.46Å; E217-S306 PolarHBondContact N-OG 3.32Å; L218-S306 PolarHBondContact N-OG 3.02Å; L218-S306 VanDerWaalsContact N-OG 3.11Å; L218-S306 PolarHBondContact O-N 3.02Å; K304-S306 PolarHBondContact O-N 3.47Å
307K98.4Very high98Very high29 Ų2925.9 Ų25.913%0.12613%0.126CC..EExtended strand (participates in β ladder)trans-145.3135.9170.5-176.5161.3-74.6-170.90111.3V85 E213 S214 L215 L218 V219 A220 P305 L309V85-K307 HydrophobicContact CG2-CD 3.93Å; V85-K307 HydrophobicContact CG2-CG 3.89Å; E213-K307 WeakPolarHBondContact O-CD 3.22Å; E213-K307 WeakPolarHBondContact O-CE 3.26Å; E213-K307 PolarHBondContact O-NZ 3.39Å; S214-K307 VanDerWaalsContact C-CD 3.47Å; S214-K307 WeakPolarHBondContact O-CD 3.43Å; L215-K307 WeakPolarHBondContact O-CD 3.47Å; L215-K307 WeakPolarHBondContact O-CE 3.34Å; L215-K307 PolarHBondContact O-NZ 2.79Å; L218-K307 PolarHBondContact O-N 3.43Å; L218-K307 VanDerWaalsContact O-N 3.11Å; V219-K307 WeakPolarHBondContact CA-O 3.32Å; V219-K307 HydrophobicContact CG1-CG 4.49Å; V219-K307 HydrophobicContact CG2-CB 4.26Å; A220-K307 PolarHBondContact N-O 3.16Å; P305-K307 PolarHBondContact O-N 3.33Å; K307-L309 HydrophobicContact CD-CD2 4.2Å; K307-L309 HydrophobicContact CG-CD2 3.95Å
308V98.9Very high97.6Very high0 Ų032.3 Ų32.30%015%0.154CC..EExtended strand (participates in β ladder)trans-118124.4177178.90000108.4T78 W80 P83 V84 V85 A220 I222 P305T78-V308 HydrophobicContact CG2-CB 4.49Å; T78-V308 HydrophobicContact CG2-CG2 3.9Å; W80-V308 HydrophobicContact CZ2-CG2 4.11Å; P83-V308 PolarHBondContact O-N 2.85Å; V84-V308 CarbonylContact C-O 3.58Å; V84-V308 VanDerWaalsContact CA-O 3.23Å; V84-V308 WeakPolarHBondContact CA-O 3.45Å; V84-V308 HydrophobicContact CG1-CB 4.49Å; V84-V308 HydrophobicContact CG1-CG1 4.21Å; V84-V308 HydrophobicContact CG2-CB 4.27Å; V84-V308 HydrophobicContact CG2-CG1 4.5Å; V85-V308 PolarHBondContact N-O 3.33Å; A220-V308 CarbonylContact O-C 3.57Å; A220-V308 WeakPolarHBondContact O-CA 3.29Å; I222-V308 HydrophobicContact CD1-CG1 3.56Å; I222-V308 HydrophobicContact CG1-CG1 3.45Å; I222-V308 VanDerWaalsContact CG1-CG1 3.45Å; P305-V308 HydrophobicContact CB-CG2 4.27Å
309L98.9Very high97.2Very high0 Ų032.3 Ų32.30%016%0.156CC..EExtended strand (participates in β ladder)trans-93.3133.8175.2-48.2-171.7000109.2V85 W210 V219 A220 V221 I222 K307 Y313V85-L309 HydrophobicContact CB-CD2 3.86Å; V85-L309 HydrophobicContact CG2-CD2 3.68Å; W210-L309 HydrophobicContact CH2-CD1 4.31Å; W210-L309 HydrophobicContact CZ2-CD1 3.69Å; V219-L309 HydrophobicContact CG1-CD1 3.87Å; V219-L309 HydrophobicContact CG1-CD2 4Å; V219-L309 HydrophobicContact CG1-CG 3.69Å; A220-L309 PolarHBondContact O-N 3.05Å; V221-L309 HydrophobicContact CB-CB 4.49Å; V221-L309 HydrophobicContact CG1-CB 4.4Å; V221-L309 HydrophobicContact CG2-CB 4.05Å; V221-L309 HydrophobicContact CG2-CD1 3.91Å; V221-L309 HydrophobicContact CG2-CG 4.2Å; I222-L309 WeakPolarHBondContact CG1-O 3.36Å; I222-L309 PolarHBondContact N-O 2.9Å; K307-L309 HydrophobicContact CD-CD2 4.2Å; K307-L309 HydrophobicContact CG-CD2 3.95Å; L309-Y313 HydrophobicContact CB-CD1 4.46Å; L309-Y313 HydrophobicContact CB-CD2 3.72Å; L309-Y313 HydrophobicContact CB-CE2 4.4Å; L309-Y313 HydrophobicContact CB-CG 3.75Å; L309-Y313 HydrophobicContact CD1-CD1 3.74Å; L309-Y313 HydrophobicContact CD1-CD2 4.48Å; L309-Y313 HydrophobicContact CD1-CE1 4.29Å; L309-Y313 HydrophobicContact CD1-CG 3.84Å; L309-Y313 HydrophobicContact CG-CG 4.33Å
310S98.8Very high96.9Very high0 Ų036.1 Ų36.10%019%0.188CC..  trans-64.3169.7175.965.20000112.4V85 E312 Y313V85-S310 WeakPolarHBondContact O-CB 3.38Å; V85-S310 PolarHBondContact O-N 3.47Å; V85-S310 VanDerWaalsContact O-N 3.11Å; V85-S310 PolarHBondContact O-OG 3.48Å; S310-E312 PolarHBondContact O-N 3.24Å; S310-E312 WeakPolarHBondContact OG-CB 3.46Å; S310-E312 WeakPolarHBondContact OG-CG 3.05Å; S310-E312 PolarHBondContact OG-N 3.35Å; S310-Y313 PolarHBondContact O-N 3.14Å
311P98.4Very high96.7Very high1 Ų143.4 Ų43.41%0.00622%0.216CC..G310 helixtrans-57.3-11.2172.8-25.835.6000115.2W86 I222 P224 Y227 Y313 L314 W315W86-P311 HydrophobicContact CH2-CG 4.34Å; I222-P311 HydrophobicContact CB-CG 4.26Å; I222-P311 HydrophobicContact CG2-CG 3.93Å; P224-P311 HydrophobicContact CB-CB 4.25Å; Y227-P311 HydrophobicContact CD1-CG 3.86Å; Y227-P311 HydrophobicContact CD2-CG 3.88Å; Y227-P311 HydrophobicContact CE1-CG 4.46Å; Y227-P311 HydrophobicContact CE2-CG 4.45Å; Y227-P311 HydrophobicContact CG-CG 3.54Å; P311-Y313 PolarHBondContact O-N 2.96Å; P311-L314 CarbonylContact O-C 3.53Å; P311-L314 PolarHBondContact O-N 2.95Å; P311-W315 HydrophobicContact CB-CE3 3.7Å; P311-W315 HydrophobicContact CB-CZ3 3.6Å; P311-W315 PolarHBondContact O-N 2.98Å
312E98.7Very high96.5Very high0 Ų043.7 Ų43.70%022%0.221CC..G310 helixtrans-57.6-26.4170.3-60-176.4163.600112.2W86 E87 S310 V325 R326 V327 R329 F330W86-E312 HydrophobicContact CE3-CG 4.08Å; W86-E312 HydrophobicContact CZ3-CG 4.38Å; E87-E312 WeakPolarHBondContact CB-OE1 3.37Å; E87-E312 PolarHBondContact N-OE1 3.35Å; E87-E312 PolarHBondContact N-OE2 2.78Å; S310-E312 PolarHBondContact O-N 3.24Å; S310-E312 WeakPolarHBondContact OG-CB 3.46Å; S310-E312 WeakPolarHBondContact OG-CG 3.05Å; S310-E312 PolarHBondContact OG-N 3.35Å; E312-V325 HydrophobicContact CG-CG1 4.02Å; E312-R326 PolarHBondContact OE1-N 3.48Å; E312-V327 VanDerWaalsContact CB-O 3.26Å; E312-V327 WeakPolarHBondContact CB-O 3.44Å; E312-V327 HydrophobicContact CG-CG1 4.47Å; E312-V327 WeakPolarHBondContact CG-O 3.41Å; E312-R329 HydrophobicContact CB-CG 4.48Å; E312-R329 WeakPolarHBondContact O-CB 3.21Å; E312-R329 PolarHBondContact O-N 2.95Å; E312-R329 IonicContact OE2-CZ 2.82Å; E312-R329 IonicContact OE2-NE 2.7Å; E312-R329 PolarHBondContact OE2-NE 3.28Å; E312-R329 IonicContact OE2-NH2 3.48Å; E312-R329 PolarHBondContact OE2-NH2 3.33Å; E312-F330 PolarHBondContact O-N 3.01Å
313Y98.8Very high96.4Very high0 Ų044.3 Ų44.30%023%0.234CC..G310 helixtrans-96-0.7-176.7-68.9-96.5000114V85 W210 E213 L309 S310 P311 R329V85-Y313 HydrophobicContact CB-CE2 4.25Å; V85-Y313 HydrophobicContact CG1-CE2 3.86Å; V85-Y313 WeakPolarHBondContact CG1-OH 3.41Å; W210-Y313 AromaticContact CD2-CD1 3.66Å; W210-Y313 HydrophobicContact CD2-CD1 3.66Å; W210-Y313 HydrophobicContact CD2-CE1 4.2Å; W210-Y313 AromaticContact CE2-CD1 3.87Å; W210-Y313 AromaticContact CE3-CD1 3.74Å; W210-Y313 HydrophobicContact CE3-CD1 3.74Å; W210-Y313 HydrophobicContact CG-CD1 4.18Å; W210-Y313 HydrophobicContact CG-CE1 4.24Å; W210-Y313 HydrophobicContact CH2-CD1 4.18Å; W210-Y313 WeakPolarHBondContact CH2-O 3.33Å; W210-Y313 HydrophobicContact CZ2-CD1 4.11Å; W210-Y313 HydrophobicContact CZ3-CD1 4.03Å; W210-Y313 WeakPolarHBondContact CZ3-O 2.99Å; E213-Y313 WeakPolarHBondContact CG-OH 3.43Å; E213-Y313 PolarHBondContact OE1-OH 3.13Å; L309-Y313 HydrophobicContact CB-CD1 4.46Å; L309-Y313 HydrophobicContact CB-CD2 3.72Å; L309-Y313 HydrophobicContact CB-CE2 4.4Å; L309-Y313 HydrophobicContact CB-CG 3.75Å; L309-Y313 HydrophobicContact CD1-CD1 3.74Å; L309-Y313 HydrophobicContact CD1-CD2 4.48Å; L309-Y313 HydrophobicContact CD1-CE1 4.29Å; L309-Y313 HydrophobicContact CD1-CG 3.84Å; L309-Y313 HydrophobicContact CG-CG 4.33Å; S310-Y313 PolarHBondContact O-N 3.14Å; P311-Y313 PolarHBondContact O-N 2.96Å; Y313-R329 VanDerWaalsContact CZ-NE 3.26Å; Y313-R329 PolarHBondContact OH-NE 3.03Å
314L97.6Very high96.4Very high16 Ų1642.3 Ų42.38%0.08422%0.223CC..SBendtrans-16388.9163.1-17752000108V221 P224 C256 A259 P311 F330V221-L314 HydrophobicContact CG1-CB 3.79Å; P224-L314 VanDerWaalsContact CD-O 3.23Å; P224-L314 WeakPolarHBondContact CD-O 3.49Å; P224-L314 WeakPolarHBondContact CG-O 3.21Å; C256-L314 HydrophobicContact CB-CD2 3.57Å; C256-L314 WeakPolarHBondContact SG-CD2 3.49Å; A259-L314 HydrophobicContact CB-CB 4.46Å; A259-L314 HydrophobicContact CB-CD2 3.84Å; P311-L314 CarbonylContact O-C 3.53Å; P311-L314 PolarHBondContact O-N 2.95Å; L314-F330 CarbonylContact C-O 3.59Å; L314-F330 WeakPolarHBondContact CA-O 3.29Å; L314-F330 HydrophobicContact CB-CD1 4.49Å; L314-F330 HydrophobicContact CD1-CD1 3.65Å; L314-F330 HydrophobicContact CD1-CE1 3.83Å
315W97.8Very high96.3Very high2 Ų238.8 Ų38.81%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-91.2-180174.1-159.3-110.8000111.3P224 Y227 P311 K319 A320 N322 V325 I328 F330 S331 G332P224-W315 HydrophobicContact CB-CD2 4.23Å; P224-W315 HydrophobicContact CB-CE3 3.5Å; P224-W315 HydrophobicContact CB-CH2 4.41Å; P224-W315 HydrophobicContact CB-CZ3 3.61Å; Y227-W315 AromaticContact CE1-CH2 3.86Å; Y227-W315 HydrophobicContact CE1-CH2 3.86Å; Y227-W315 AromaticContact CE1-CZ3 3.88Å; Y227-W315 HydrophobicContact CE1-CZ3 3.88Å; P311-W315 HydrophobicContact CB-CE3 3.7Å; P311-W315 HydrophobicContact CB-CZ3 3.6Å; P311-W315 PolarHBondContact O-N 2.98Å; W315-K319 HydrophobicContact CZ2-CB 3.98Å; W315-K319 HydrophobicContact CZ2-CD 4.37Å; W315-K319 PolarHBondContact NE1-O 2.83Å; W315-A320 WeakPolarHBondContact CZ2-O 3.37Å; W315-N322 VanDerWaalsContact CH2-ND2 3.34Å; W315-N322 WeakPolarHBondContact CH2-ND2 3.48Å; W315-V325 HydrophobicContact CE3-CG2 4.41Å; W315-V325 HydrophobicContact CH2-CG2 4.3Å; W315-V325 HydrophobicContact CZ3-CG2 3.96Å; W315-I328 HydrophobicContact CB-CD1 4.46Å; W315-I328 HydrophobicContact CB-CG1 4.23Å; W315-I328 HydrophobicContact CB-CG2 3.88Å; W315-I328 HydrophobicContact CG-CD1 4.07Å; W315-I328 HydrophobicContact CG-CG1 4.17Å; W315-F330 PolarHBondContact N-O 3.47Å; W315-S331 CarbonylContact O-C 3.53Å; W315-S331 VanDerWaalsContact O-CA 3.28Å; W315-S331 WeakPolarHBondContact O-CA 3.3Å; W315-G332 PolarHBondContact O-N 3.01Å
316Q95.1Very high96.3Very high40 Ų4044.8 Ų44.819%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-127.5123.8175.5-73.1171.1-22.300109P224 F318 K319P224-Q316 HydrophobicContact CG-CG 3.91Å; Q316-F318 HydrophobicContact CB-CD1 3.97Å; Q316-F318 HydrophobicContact CB-CE1 3.59Å; Q316-F318 HydrophobicContact CB-CE2 4.49Å; Q316-F318 HydrophobicContact CB-CZ 3.88Å; Q316-F318 HydrophobicContact CG-CE1 3.92Å; Q316-F318 HydrophobicContact CG-CZ 4.15Å; Q316-F318 PolarHBondContact O-N 2.87Å; Q316-F318 VanDerWaalsContact O-N 3.14Å; Q316-K319 HydrophobicContact CB-CD 4.18Å; Q316-K319 HydrophobicContact CB-CG 4.22Å; Q316-K319 WeakPolarHBondContact O-CB 3.28Å; Q316-K319 PolarHBondContact O-N 2.89Å
317D92.7Very high96.3Very high64 Ų6444.1 Ų44.134%0.34222%0.224SC..THydrogen-bonded Turntrans-64.2-22.5-171.6-77-7.6000113.9K319 S331 G332 I334D317-K319 PolarHBondContact O-N 2.82Å; D317-S331 WeakPolarHBondContact OD1-CB 3.36Å; D317-S331 PolarHBondContact OD1-OG 3.49Å; D317-G332 WeakPolarHBondContact CB-O 3.12Å; D317-G332 PolarHBondContact N-O 3.19Å; D317-G332 VanDerWaalsContact N-O 3.07Å; D317-I334 HydrophobicContact CB-CD1 4.44Å; D317-I334 HydrophobicContact CB-CG1 3.85Å
318F90.6Very high96.3Very high134 Ų13444.7 Ų44.759%0.58823%0.228SC*.THydrogen-bonded Turntrans-76.1-7.5174.565.6-98.8000113.5Q316 I334Q316-F318 HydrophobicContact CB-CD1 3.97Å; Q316-F318 HydrophobicContact CB-CE1 3.59Å; Q316-F318 HydrophobicContact CB-CE2 4.49Å; Q316-F318 HydrophobicContact CB-CZ 3.88Å; Q316-F318 HydrophobicContact CG-CE1 3.92Å; Q316-F318 HydrophobicContact CG-CZ 4.15Å; Q316-F318 PolarHBondContact O-N 2.87Å; Q316-F318 VanDerWaalsContact O-N 3.14Å; F318-I334 HydrophobicContact CB-CG1 4.34Å
319K89.1Confident96.3Very high59 Ų5944.8 Ų44.826%0.25723%0.229SC..SBendtrans-100.7133-179.3-69.7-175.5170.61620111.8P224 W315 Q316 D317 R321P224-K319 PolarHBondContact O-NZ 2.88Å; P224-K319 VanDerWaalsContact O-NZ 3.1Å; W315-K319 HydrophobicContact CZ2-CB 3.98Å; W315-K319 HydrophobicContact CZ2-CD 4.37Å; W315-K319 PolarHBondContact NE1-O 2.83Å; Q316-K319 HydrophobicContact CB-CD 4.18Å; Q316-K319 HydrophobicContact CB-CG 4.22Å; Q316-K319 WeakPolarHBondContact O-CB 3.28Å; Q316-K319 PolarHBondContact O-N 2.89Å; D317-K319 PolarHBondContact O-N 2.82Å; K319-R321 PolarHBondContact O-N 3.47Å
320A92.6Very high96.3Very high87 Ų8744.8 Ų44.872%0.71923%0.229SC*.PPolyproline II helixtrans-58.8137.9165.800000110.8W315 N322W315-A320 WeakPolarHBondContact CZ2-O 3.37Å; A320-N322 PolarHBondContact O-N 3.18Å
321R93.9Very high96.2Very high154 Ų15444.8 Ų44.858%0.58123%0.229SC*.PPolyproline II helixtrans-68.8129.5177.7-170.9178.470.3167.5-1110.2K319 V325 R326 I328K319-R321 PolarHBondContact O-N 3.47Å; R321-V325 WeakPolarHBondContact CD-O 3.31Å; R321-V325 HydrophobicContact CG-CB 4.03Å; R321-V325 HydrophobicContact CG-CG1 4Å; R321-V325 WeakPolarHBondContact CG-O 3.3Å; R321-R326 PolarHBondContact NH1-O 3.5Å; R321-I328 HydrophobicContact CB-CD1 4.4Å; R321-I328 HydrophobicContact CG-CD1 4.3Å; R321-I328 HydrophobicContact CG-CG1 4.49Å
322N95.1Very high96.1Very high56 Ų5645.1 Ų45.130%0.29923%0.233SC..PPolyproline II helixtrans-81.7157.5174.3-68.3-85.8000111.2Y227 K228 W315 A320 E324 V325Y227-N322 WeakPolarHBondContact OH-CB 3.03Å; Y227-N322 PolarHBondContact OH-ND2 3.38Å; K228-N322 PolarHBondContact NZ-OD1 3.01Å; W315-N322 VanDerWaalsContact CH2-ND2 3.34Å; W315-N322 WeakPolarHBondContact CH2-ND2 3.48Å; A320-N322 PolarHBondContact O-N 3.18Å; N322-E324 VanDerWaalsContact C-N 3.31Å; N322-E324 WeakPolarHBondContact CB-OE1 3.35Å; N322-E324 PolarHBondContact O-N 3.35Å; N322-V325 HydrophobicContact CB-CG2 4.45Å; N322-V325 PolarHBondContact O-N 2.88Å; N322-V325 VanDerWaalsContact O-N 3.13Å
323S96.1Very high95.9Very high115 Ų11545.9 Ų45.980%0.80424%0.238SC*.THydrogen-bonded Turntrans-59.6-35.9-173.441.50000114.6V325S323-V325 VanDerWaalsContact C-N 3.33Å
324E97Very high95.5Very high17 Ų1751.8 Ų51.88%0.07927%0.268CS..THydrogen-bonded Turntrans-77.7-18.8-178.967.2-76.1177.500113.2R71 V74 W86 Y227 K228 N322 R326R71-E324 PolarHBondContact NH2-O 2.85Å; V74-E324 HydrophobicContact CG1-CB 3.6Å; V74-E324 HydrophobicContact CG1-CG 3.95Å; W86-E324 HydrophobicContact CH2-CG 4.38Å; W86-E324 HydrophobicContact CZ3-CG 4.36Å; Y227-E324 HydrophobicContact CE2-CG 4.42Å; Y227-E324 VanDerWaalsContact CE2-OE1 3.26Å; Y227-E324 WeakPolarHBondContact CE2-OE1 3.09Å; Y227-E324 PolarHBondContact OH-OE1 3.43Å; K228-E324 WeakPolarHBondContact CE-OE1 3.39Å; K228-E324 IonicContact NZ-OE1 3.58Å; K228-E324 PolarHBondContact NZ-OE1 2.88Å; K228-E324 IonicContact NZ-OE2 3.01Å; K228-E324 PolarHBondContact NZ-OE2 3.25Å; N322-E324 VanDerWaalsContact C-N 3.31Å; N322-E324 WeakPolarHBondContact CB-OE1 3.35Å; N322-E324 PolarHBondContact O-N 3.35Å; E324-R326 PolarHBondContact O-N 2.91Å
325V98Very high95Very high1 Ų153.2 Ų53.21%0.00627%0.273CS..  trans-84.788.4171.9-179.40000107.3W86 E312 W315 R321 N322 S323 V327 I328W86-V325 HydrophobicContact CZ3-CG2 4.23Å; E312-V325 HydrophobicContact CG-CG1 4.02Å; W315-V325 HydrophobicContact CE3-CG2 4.41Å; W315-V325 HydrophobicContact CH2-CG2 4.3Å; W315-V325 HydrophobicContact CZ3-CG2 3.96Å; R321-V325 WeakPolarHBondContact CD-O 3.31Å; R321-V325 HydrophobicContact CG-CB 4.03Å; R321-V325 HydrophobicContact CG-CG1 4Å; R321-V325 WeakPolarHBondContact CG-O 3.3Å; N322-V325 HydrophobicContact CB-CG2 4.45Å; N322-V325 PolarHBondContact O-N 2.88Å; N322-V325 VanDerWaalsContact O-N 3.13Å; S323-V325 VanDerWaalsContact C-N 3.33Å; V325-V327 VanDerWaalsContact C-N 3.32Å; V325-V327 PolarHBondContact O-N 3.41Å; V325-I328 HydrophobicContact CG1-CG1 4.25Å
326R97.9Very high94.5Very high126 Ų12656.4 Ų56.448%0.47529%0.291SS..  trans-73.7-29-173.1-64.2-178.9178.4-174.7-2112.2D73 E87 E312 R321 E324D73-R326 IonicContact OD1-NH2 2.79Å; E87-R326 HydrophobicContact CB-CB 4.09Å; E87-R326 HydrophobicContact CG-CB 4.2Å; E312-R326 PolarHBondContact OE1-N 3.48Å; R321-R326 PolarHBondContact NH1-O 3.5Å; E324-R326 PolarHBondContact O-N 2.91Å
327V98.2Very high93.9Very high25 Ų2559.6 Ų59.615%0.15230%0.302CS..  trans-141143-179.865.50000110E87 S208 E312 V325 R329E87-V327 HydrophobicContact CB-CG1 3.76Å; E87-V327 HydrophobicContact CG-CG1 4.06Å; S208-V327 WeakPolarHBondContact OG-CG2 3.5Å; E312-V327 VanDerWaalsContact CB-O 3.26Å; E312-V327 WeakPolarHBondContact CB-O 3.44Å; E312-V327 HydrophobicContact CG-CG1 4.47Å; E312-V327 WeakPolarHBondContact CG-O 3.41Å; V325-V327 VanDerWaalsContact C-N 3.32Å; V325-V327 PolarHBondContact O-N 3.41Å; V327-R329 HydrophobicContact CG1-CG 4.08Å
328I98.3Very high93.3Very high41 Ų4163.4 Ų63.421%0.2132%0.322CS..  trans-100119.5166.7-64.8168.8000105.7H207 W315 R321 V325H207-I328 WeakPolarHBondContact CB-O 3.2Å; W315-I328 HydrophobicContact CB-CD1 4.46Å; W315-I328 HydrophobicContact CB-CG1 4.23Å; W315-I328 HydrophobicContact CB-CG2 3.88Å; W315-I328 HydrophobicContact CG-CD1 4.07Å; W315-I328 HydrophobicContact CG-CG1 4.17Å; R321-I328 HydrophobicContact CB-CD1 4.4Å; R321-I328 HydrophobicContact CG-CD1 4.3Å; R321-I328 HydrophobicContact CG-CG1 4.49Å; V325-I328 HydrophobicContact CG1-CG1 4.25Å
329R98.7Very high93Very high2 Ų262 Ų621%0.00832%0.317CS..  trans-96.8-37.7-179.3-57.1170.7-172.5-75.7-4.1111.2E87 F206 H207 S208 R209 E312 Y313 V327E87-R329 IonicContact OE2-CZ 3.45Å; E87-R329 IonicContact OE2-NH1 3.32Å; E87-R329 IonicContact OE2-NH2 3.79Å; E87-R329 PolarHBondContact OE2-NH2 2.67Å; F206-R329 CarbonylContact C-O 3.33Å; F206-R329 VanDerWaalsContact CA-O 3.26Å; F206-R329 WeakPolarHBondContact CA-O 3.01Å; H207-R329 PolarHBondContact N-O 3.49Å; S208-R329 PolarHBondContact N-O 2.9Å; R209-R329 VanDerWaalsContact O-CD 3.25Å; R209-R329 WeakPolarHBondContact O-CD 3.38Å; R209-R329 WeakPolarHBondContact O-CG 3.39Å; R209-R329 PolarHBondContact O-NH1 2.97Å; E312-R329 HydrophobicContact CB-CG 4.48Å; E312-R329 WeakPolarHBondContact O-CB 3.21Å; E312-R329 PolarHBondContact O-N 2.95Å; E312-R329 IonicContact OE2-CZ 2.82Å; E312-R329 IonicContact OE2-NE 2.7Å; E312-R329 PolarHBondContact OE2-NE 3.28Å; E312-R329 IonicContact OE2-NH2 3.48Å; E312-R329 PolarHBondContact OE2-NH2 3.33Å; Y313-R329 VanDerWaalsContact CZ-NE 3.26Å; Y313-R329 PolarHBondContact OH-NE 3.03Å; V327-R329 HydrophobicContact CG1-CG 4.08Å
330F98.6Very high92.6Very high0 Ų059.6 Ų59.60%031%0.307CS..EExtended strand (participates in β ladder)trans-146.6137-179.5-173.2-118.4000109F123 L200 S204 K205 F206 W210 E312 L314 W315F123-F330 HydrophobicContact CD2-CE2 4.18Å; F123-F330 HydrophobicContact CD2-CZ 4.38Å; F123-F330 AromaticContact CE2-CE2 3.97Å; F123-F330 HydrophobicContact CE2-CE2 3.97Å; F123-F330 AromaticContact CE2-CZ 3.96Å; F123-F330 HydrophobicContact CE2-CZ 3.96Å; L200-F330 HydrophobicContact CB-CZ 4.31Å; L200-F330 HydrophobicContact CD2-CE1 4.34Å; S204-F330 VanDerWaalsContact CB-CE2 3.46Å; K205-F330 VanDerWaalsContact C-CD2 3.5Å; K205-F330 CarbonylContact O-C 3.6Å; K205-F330 VanDerWaalsContact O-CA 3.27Å; K205-F330 WeakPolarHBondContact O-CA 3.43Å; K205-F330 VanDerWaalsContact O-CD2 3.26Å; K205-F330 WeakPolarHBondContact O-CD2 3.41Å; F206-F330 HydrophobicContact CB-CD2 4.5Å; F206-F330 HydrophobicContact CD1-CB 4.29Å; F206-F330 AromaticContact CD1-CD2 3.64Å; F206-F330 HydrophobicContact CD1-CD2 3.64Å; F206-F330 HydrophobicContact CD1-CE2 4.34Å; F206-F330 HydrophobicContact CD1-CG 4.31Å; F206-F330 AromaticContact CD2-CD2 3.86Å; F206-F330 HydrophobicContact CD2-CD2 3.86Å; F206-F330 AromaticContact CD2-CE2 3.88Å; F206-F330 HydrophobicContact CD2-CE2 3.88Å; F206-F330 AromaticContact CE1-CD2 3.7Å; F206-F330 HydrophobicContact CE1-CD2 3.7Å; F206-F330 HydrophobicContact CE1-CE2 4.11Å; F206-F330 HydrophobicContact CE1-CG 4.29Å; F206-F330 AromaticContact CE2-CD2 3.92Å; F206-F330 HydrophobicContact CE2-CD2 3.92Å; F206-F330 AromaticContact CE2-CE2 3.63Å; F206-F330 HydrophobicContact CE2-CE2 3.63Å; F206-F330 AromaticContact CG-CD2 3.73Å; F206-F330 HydrophobicContact CG-CD2 3.73Å; F206-F330 HydrophobicContact CG-CE2 4.25Å; F206-F330 AromaticContact CZ-CD2 3.87Å; F206-F330 HydrophobicContact CZ-CD2 3.87Å; F206-F330 AromaticContact CZ-CE2 3.77Å; F206-F330 HydrophobicContact CZ-CE2 3.77Å; W210-F330 HydrophobicContact CE3-CB 3.77Å; W210-F330 HydrophobicContact CE3-CG 4.24Å; W210-F330 HydrophobicContact CZ3-CB 3.58Å; W210-F330 AromaticContact CZ3-CD1 3.78Å; W210-F330 HydrophobicContact CZ3-CD1 3.78Å; W210-F330 AromaticContact CZ3-CG 3.82Å; W210-F330 HydrophobicContact CZ3-CG 3.82Å; E312-F330 PolarHBondContact O-N 3.01Å; L314-F330 CarbonylContact C-O 3.59Å; L314-F330 WeakPolarHBondContact CA-O 3.29Å; L314-F330 HydrophobicContact CB-CD1 4.49Å; L314-F330 HydrophobicContact CD1-CD1 3.65Å; L314-F330 HydrophobicContact CD1-CE1 3.83Å; W315-F330 PolarHBondContact N-O 3.47Å
331S97.8Very high92Very high0 Ų058.8 Ų58.80%029%0.285CS..EExtended strand (participates in β ladder)trans-148145.2179.464.30000113.2S204 K205 H207 W315 D317S204-S331 CarbonylContact C-O 3.56Å; S204-S331 WeakPolarHBondContact CA-O 3.47Å; S204-S331 VanDerWaalsContact CB-O 3.29Å; S204-S331 WeakPolarHBondContact CB-O 3.4Å; K205-S331 PolarHBondContact N-O 3.35Å; K205-S331 PolarHBondContact O-N 3Å; H207-S331 PolarHBondContact CD2-OG 2.99Å; H207-S331 PolarHBondContact NE2-OG 2.97Å; W315-S331 CarbonylContact O-C 3.53Å; W315-S331 VanDerWaalsContact O-CA 3.28Å; W315-S331 WeakPolarHBondContact O-CA 3.3Å; D317-S331 WeakPolarHBondContact OD1-CB 3.36Å; D317-S331 PolarHBondContact OD1-OG 3.49Å
332G96Very high90.4Very high9 Ų955.1 Ų55.19%0.09328%0.282CS..EExtended strand (participates in β ladder)trans-71.4128.8172.400000111.4D203 S204 W315 D317D203-G332 WeakPolarHBondContact O-CA 3.47Å; S204-G332 WeakPolarHBondContact OG-CA 3.36Å; W315-G332 PolarHBondContact O-N 3.01Å; D317-G332 WeakPolarHBondContact CB-O 3.12Å; D317-G332 PolarHBondContact N-O 3.19Å; D317-G332 VanDerWaalsContact N-O 3.07Å
333V93.9Very high88.6Confident16 Ų1660.4 Ų60.410%0.09731%0.31CS..PPolyproline II helixtrans-73.5151.4-177.9-53.50000111.3F119 D203 K205 K335F119-V333 HydrophobicContact CD1-CG2 3.69Å; F119-V333 HydrophobicContact CE1-CG2 3.52Å; F119-V333 HydrophobicContact CZ-CG2 4.37Å; D203-V333 WeakPolarHBondContact O-CG2 3.24Å; D203-V333 PolarHBondContact O-N 3.38Å; K205-V333 HydrophobicContact CD-CG1 3.93Å; K205-V333 HydrophobicContact CG-CG1 3.72Å; V333-K335 PolarHBondContact O-N 3.47Å
334I90.8Very high88.3Confident124 Ų12457.7 Ų57.764%0.63629%0.285SS*.PPolyproline II helixtrans-63.6127.6171.9-56.7178.9000108.7D317 F318D317-I334 HydrophobicContact CB-CD1 4.44Å; D317-I334 HydrophobicContact CB-CG1 3.85Å; F318-I334 HydrophobicContact CB-CG1 4.34Å
335K87.9Confident87.8Confident45 Ų4559.8 Ų59.820%0.19630%0.296CS..  trans-150.9149-175.662-165.5171-114.40110.9F119 D203 V333 Y337 I340F119-K335 HydrophobicContact CZ-CB 4.06Å; F119-K335 HydrophobicContact CZ-CD 4.32Å; D203-K335 HydrophobicContact CB-CD 4.02Å; D203-K335 IonicContact OD1-NZ 3.01Å; D203-K335 WeakPolarHBondContact OD2-CD 3.33Å; D203-K335 WeakPolarHBondContact OD2-CE 3.35Å; D203-K335 IonicContact OD2-NZ 3.99Å; D203-K335 PolarHBondContact OD2-NZ 3Å; V333-K335 PolarHBondContact O-N 3.47Å; K335-Y337 HydrophobicContact CD-CE1 4.3Å; K335-Y337 VanDerWaalsContact CE-CE1 3.48Å; K335-Y337 WeakPolarHBondContact CE-OH 3.31Å; K335-Y337 HydrophobicContact CG-CE1 4.39Å; K335-I340 HydrophobicContact CB-CD1 4.07Å; K335-I340 HydrophobicContact CD-CD1 3.7Å; K335-I340 HydrophobicContact CG-CD1 3.9Å
336N86.8Confident87.2Confident70 Ų7063.1 Ų63.137%0.37431%0.312SS..  trans-92.8109.8172.9-175.7-9.1000109.5N338 E339 I340N336-N338 PolarHBondContact O-N 3.06Å; N336-N338 WeakPolarHBondContact OD1-CB 3.47Å; N336-N338 PolarHBondContact OD1-N 3.38Å; N336-N338 VanDerWaalsContact OD1-N 3.13Å; N336-E339 HydrophobicContact CB-CB 4.18Å; N336-E339 HydrophobicContact CB-CG 4.04Å; N336-E339 PolarHBondContact ND2-OE1 3.42Å; N336-E339 PolarHBondContact O-N 3.49Å; N336-E339 VanDerWaalsContact O-N 3.08Å; N336-I340 WeakPolarHBondContact O-CG1 3.44Å; N336-I340 PolarHBondContact O-N 3.29Å
337Y81.6Confident86.6Confident107 Ų10759.4 Ų59.442%0.4230%0.302SS..Hα-helixtrans-58.9-35.6-178.4-69.7-70000112.9K335 E339 I340 R341K335-Y337 HydrophobicContact CD-CE1 4.3Å; K335-Y337 VanDerWaalsContact CE-CE1 3.48Å; K335-Y337 WeakPolarHBondContact CE-OH 3.31Å; K335-Y337 HydrophobicContact CG-CE1 4.39Å; Y337-E339 PolarHBondContact O-N 3.11Å; Y337-I340 HydrophobicContact CD1-CD1 4.09Å; Y337-I340 PolarHBondContact O-N 3.49Å; Y337-R341 WeakPolarHBondContact O-CB 3.23Å; Y337-R341 PolarHBondContact O-N 2.85Å
338N81.1Confident85.9Confident144 Ų14461.5 Ų61.577%0.7731%0.312SS*.Hα-helixtrans-67.4-24.6179.6-62.7-14.8000112.5N336N336-N338 PolarHBondContact O-N 3.06Å; N336-N338 WeakPolarHBondContact OD1-CB 3.47Å; N336-N338 PolarHBondContact OD1-N 3.38Å; N336-N338 VanDerWaalsContact OD1-N 3.13Å
339E83.1Confident85Confident105 Ų10562.9 Ų62.949%0.49132%0.319SS..Hα-helixtrans-83.9-30.3177.7-74172.3-15000112.5K115 N336 Y337K115-E339 WeakPolarHBondContact CD-O 3.45Å; K115-E339 WeakPolarHBondContact CE-O 3.3Å; K115-E339 PolarHBondContact NZ-O 3.11Å; N336-E339 HydrophobicContact CB-CB 4.18Å; N336-E339 HydrophobicContact CB-CG 4.04Å; N336-E339 PolarHBondContact ND2-OE1 3.42Å; N336-E339 PolarHBondContact O-N 3.49Å; N336-E339 VanDerWaalsContact O-N 3.08Å; Y337-E339 PolarHBondContact O-N 3.11Å
340I81.6Confident84.1Confident7 Ų767.2 Ų67.24%0.03634%0.341CS..Hα-helixtrans-102-29.9-170.264.9-174.7000113.5K115 Y116 F119 K335 N336 Y337K115-I340 HydrophobicContact CB-CB 4.49Å; Y116-I340 HydrophobicContact CE1-CD1 4.25Å; Y116-I340 HydrophobicContact CE2-CB 4.31Å; Y116-I340 HydrophobicContact CE2-CD1 4.32Å; Y116-I340 HydrophobicContact CE2-CG1 4.2Å; F119-I340 HydrophobicContact CZ-CG2 4.41Å; K335-I340 HydrophobicContact CB-CD1 4.07Å; K335-I340 HydrophobicContact CD-CD1 3.7Å; K335-I340 HydrophobicContact CG-CD1 3.9Å; N336-I340 WeakPolarHBondContact O-CG1 3.44Å; N336-I340 PolarHBondContact O-N 3.29Å; Y337-I340 HydrophobicContact CD1-CD1 4.09Å; Y337-I340 PolarHBondContact O-N 3.49Å
341R78.8Confident83Confident70 Ų7072.4 Ų72.426%0.26437%0.367SS..SBendtrans-91.7135.9178.6-64.6-175.8178173.4-3.3109.8Y116 Y337 N343Y116-R341 PolarHBondContact OH-NE 3.34Å; Y337-R341 WeakPolarHBondContact O-CB 3.23Å; Y337-R341 PolarHBondContact O-N 2.85Å; R341-N343 PolarHBondContact O-N 3.14Å
342P62Low81.7Confident78 Ų7878.4 Ų78.451%0.50640%0.398SS..  trans-70.8-20.6-178.926.5-32.3000113.2
343N57.3Low80.4Confident166 Ų16684.7 Ų84.789%0.88843%0.425SS*.  trans-151.30175.9-61.4-66.5000110.5K169 W171 R341K169-N343 PolarHBondContact O-ND2 3.03Å; W171-N343 VanDerWaalsContact CD1-O 3.23Å; W171-N343 PolarHBondContact NE1-O 3.33Å; R341-N343 PolarHBondContact O-N 3.14Å

Retrieved 343 of 343 residues in 239.4 ms (Link to these results)

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