A0A078BTR2_CAEEL Loading...

Glycosyltransferase family 92 protein

AlphaFold DB , UniProt , Accession A0A078BTR2, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 387 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
1M53Low65.2Low220 Ų220136.7 Ų136.7100%1.08465%0.647SS**  0-26.90-99.8171.274.200114.6T5M1-T5 PolarHBondContact O-OG1 3.24Å; M1-T5 VanDerWaalsContact O-OG1 3.13Å
2H52.8Low66.2Low154 Ų154134.7 Ų134.771%0.71364%0.642SS**Hα-helixtrans-77.7-28.6-173.5-135.9-31.9000115.7
3F52.4Low67.2Low183 Ų183129.2 Ų129.280%0.80362%0.622SS**Hα-helixtrans-76.8-34.2-176.9-124.9-94.7000113.3T5 F7F3-T5 PolarHBondContact O-N 3.12Å; F3-F7 PolarHBondContact O-N 2.86Å
4H55.8Low68.4Low146 Ų146124.8 Ų124.868%0.67661%0.607SS**Hα-helixtrans-67.8-35.7179.7-105.7-67.1000112.4I8H4-I8 WeakPolarHBondContact O-CD1 3.39Å; H4-I8 VanDerWaalsContact O-CG1 3.29Å; H4-I8 WeakPolarHBondContact O-CG1 3.4Å; H4-I8 PolarHBondContact O-N 3.43Å
5T59.9Low69.2Low94 Ų94125.4 Ų125.458%0.57761%0.606SS**Hα-helixtrans-71.7-35.5-178.8-27.60000112.2M1 F3 F9M1-T5 PolarHBondContact O-OG1 3.24Å; M1-T5 VanDerWaalsContact O-OG1 3.13Å; F3-T5 PolarHBondContact O-N 3.12Å; T5-F9 WeakPolarHBondContact O-CB 3.37Å; T5-F9 PolarHBondContact O-N 3.29Å; T5-F9 VanDerWaalsContact O-N 3.17Å
6Q62.3Low69.5Low126 Ų126121.4 Ų121.459%0.58960%0.6SS**Hα-helixtrans-71.4-36.7176.7-73.2-176-21.200112.4F9 F10Q6-F9 PolarHBondContact O-N 3.17Å; Q6-F10 PolarHBondContact O-N 3.42Å
7F72.8Confident69.8Low128 Ų128119.6 Ų119.656%0.56159%0.593SS**Hα-helixtrans-67.1-41.1177.1-170.9-103000112.4F3 F10 L11F3-F7 PolarHBondContact O-N 2.86Å; F7-F10 PolarHBondContact O-N 2.87Å; F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CE1-CD1 3.37Å; F7-L11 HydrophobicContact CZ-CD1 3.79Å; F7-L11 PolarHBondContact O-N 3.49Å; F7-L11 VanDerWaalsContact O-N 3.1Å
8I74.6Confident70Confident96 Ų96115.4 Ų115.449%0.49258%0.58SS.*Hα-helixtrans-65.8-40.4176.5-66.9167.8000111H4 L11 L12H4-I8 WeakPolarHBondContact O-CD1 3.39Å; H4-I8 VanDerWaalsContact O-CG1 3.29Å; H4-I8 WeakPolarHBondContact O-CG1 3.4Å; H4-I8 PolarHBondContact O-N 3.43Å; I8-L11 PolarHBondContact O-N 2.71Å; I8-L12 HydrophobicContact CG2-CD1 4.15Å; I8-L12 WeakPolarHBondContact O-CG 3.33Å; I8-L12 PolarHBondContact O-N 3.31Å
9F74.4Confident69.9Low145 Ų145113.1 Ų113.164%0.63658%0.575SS**Hα-helixtrans-64.7-41.8177.7-166.8-96.4000112T5 Q6 L11 L12 V13T5-F9 WeakPolarHBondContact O-CB 3.37Å; T5-F9 PolarHBondContact O-N 3.29Å; T5-F9 VanDerWaalsContact O-N 3.17Å; Q6-F9 PolarHBondContact O-N 3.17Å; F9-L11 PolarHBondContact O-N 2.83Å; F9-L12 PolarHBondContact O-N 2.66Å; F9-V13 HydrophobicContact CD1-CG2 4.19Å; F9-V13 HydrophobicContact CE1-CG2 3.94Å; F9-V13 HydrophobicContact CZ-CG2 4.46Å; F9-V13 WeakPolarHBondContact O-CG2 3.33Å; F9-V13 PolarHBondContact O-N 3.47Å; F9-V13 VanDerWaalsContact O-N 3.08Å
10F79.9Confident70Confident140 Ų140114.8 Ų114.861%0.61458%0.576SS**Hα-helixtrans-61.8-43.4175.7-175.5-99.4000112Q6 F7 L12 V13 V14Q6-F10 PolarHBondContact O-N 3.42Å; F7-F10 PolarHBondContact O-N 2.87Å; F10-L12 PolarHBondContact O-N 3Å; F10-V13 PolarHBondContact O-N 2.94Å; F10-V14 HydrophobicContact CD1-CG2 4.18Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 4.46Å; F10-V14 HydrophobicContact CZ-CG2 3.97Å; F10-V14 WeakPolarHBondContact O-CG2 3.37Å; F10-V14 PolarHBondContact O-N 3.03Å
11L79Confident69.6Low72 Ų72115.8 Ų115.838%0.37758%0.576SS.*Hα-helixtrans-62.4-40.1177-112.6141.8000112.6F7 I8 F9 V14 F15F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CE1-CD1 3.37Å; F7-L11 HydrophobicContact CZ-CD1 3.79Å; F7-L11 PolarHBondContact O-N 3.49Å; F7-L11 VanDerWaalsContact O-N 3.1Å; I8-L11 PolarHBondContact O-N 2.71Å; F9-L11 PolarHBondContact O-N 2.83Å; L11-V14 PolarHBondContact O-N 3.27Å; L11-F15 HydrophobicContact CD2-CD2 3.96Å; L11-F15 HydrophobicContact CD2-CE2 3.82Å; L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 PolarHBondContact O-N 2.95Å
12L77.5Confident70.2Confident112 Ų112110.2 Ų110.259%0.58655%0.55SS**Hα-helixtrans-65.5-39.1176-75.6166.8000112.4I8 F9 F10 A16I8-L12 HydrophobicContact CG2-CD1 4.15Å; I8-L12 WeakPolarHBondContact O-CG 3.33Å; I8-L12 PolarHBondContact O-N 3.31Å; F9-L12 PolarHBondContact O-N 2.66Å; F10-L12 PolarHBondContact O-N 3Å; L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.34Å
13V79.3Confident70Confident63 Ų63109.3 Ų109.338%0.38254%0.544SS..Hα-helixtrans-66.6-42.4176.3172.70000111F9 F10 A16 L17F9-V13 HydrophobicContact CD1-CG2 4.19Å; F9-V13 HydrophobicContact CE1-CG2 3.94Å; F9-V13 HydrophobicContact CZ-CG2 4.46Å; F9-V13 WeakPolarHBondContact O-CG2 3.33Å; F9-V13 PolarHBondContact O-N 3.47Å; F9-V13 VanDerWaalsContact O-N 3.08Å; F10-V13 PolarHBondContact O-N 2.94Å; V13-A16 PolarHBondContact O-N 3.01Å; V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 HydrophobicContact CG1-CG 4.48Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 WeakPolarHBondContact O-CG 3.43Å; V13-L17 PolarHBondContact O-N 3.11Å
14V83.8Confident70.1Confident68 Ų68103.7 Ų103.741%0.41253%0.525SS..Hα-helixtrans-65-42.7177.3173.60000111.2F10 L11 L17 A18F10-V14 HydrophobicContact CD1-CG2 4.18Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 4.46Å; F10-V14 HydrophobicContact CZ-CG2 3.97Å; F10-V14 WeakPolarHBondContact O-CG2 3.37Å; F10-V14 PolarHBondContact O-N 3.03Å; L11-V14 PolarHBondContact O-N 3.27Å; V14-L17 PolarHBondContact O-N 2.62Å; V14-A18 WeakPolarHBondContact O-CB 3.35Å; V14-A18 PolarHBondContact O-N 3.33Å
15F80Confident69.8Low134 Ų134103.1 Ų103.159%0.58852%0.522SS*.Hα-helixtrans-64.8-40175-98.2-83.5000112.3L11 A18 S19L11-F15 HydrophobicContact CD2-CD2 3.96Å; L11-F15 HydrophobicContact CD2-CE2 3.82Å; L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 PolarHBondContact O-N 2.95Å; F15-A18 PolarHBondContact O-N 2.91Å; F15-S19 VanDerWaalsContact O-CB 3.27Å; F15-S19 WeakPolarHBondContact O-CB 3.4Å; F15-S19 PolarHBondContact O-N 2.77Å; F15-S19 PolarHBondContact O-OG 2.87Å
16A75.2Confident69.1Low62 Ų62104.9 Ų104.951%0.51252%0.524SS..Hα-helixtrans-64.1-41.6176.400000111.9L12 V13 Y20L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.34Å; V13-A16 PolarHBondContact O-N 3.01Å; A16-Y20 VanDerWaalsContact O-CB 3.31Å; A16-Y20 WeakPolarHBondContact O-CB 3.36Å; A16-Y20 PolarHBondContact O-N 3.17Å
17L74.1Confident68.4Low91 Ų91102.5 Ų102.548%0.47652%0.515SS..Hα-helixtrans-66.9-45.6175.8-72.7168.5000111.7V13 V14 S19 Y20 F21V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 HydrophobicContact CG1-CG 4.48Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 WeakPolarHBondContact O-CG 3.43Å; V13-L17 PolarHBondContact O-N 3.11Å; V14-L17 PolarHBondContact O-N 2.62Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 3.33Å; L17-Y20 WeakPolarHBondContact O-CB 3.37Å; L17-Y20 PolarHBondContact O-N 2.93Å; L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 2.97Å
18A73.8Confident67.4Low44 Ų44101.7 Ų101.736%0.36452%0.516SS..Hα-helixtrans-63.3-40.6177.600000111.9V14 F15 Y20 F21 I22V14-A18 WeakPolarHBondContact O-CB 3.35Å; V14-A18 PolarHBondContact O-N 3.33Å; F15-A18 PolarHBondContact O-N 2.91Å; A18-Y20 VanDerWaalsContact C-N 3.33Å; A18-F21 PolarHBondContact O-N 3.12Å; A18-I22 VanDerWaalsContact O-CG1 3.27Å; A18-I22 WeakPolarHBondContact O-CG1 3.45Å; A18-I22 PolarHBondContact O-N 3.32Å
19S67.6Low66.1Low70 Ų70102.5 Ų102.549%0.4952%0.522SS..Hα-helixtrans-65.8-37.4175.7-51.80000111.5F15 L17 F23F15-S19 VanDerWaalsContact O-CB 3.27Å; F15-S19 WeakPolarHBondContact O-CB 3.4Å; F15-S19 PolarHBondContact O-N 2.77Å; F15-S19 PolarHBondContact O-OG 2.87Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 3.33Å; S19-F23 WeakPolarHBondContact O-CB 3.44Å; S19-F23 PolarHBondContact O-N 3.33Å
20Y71.6Confident64.7Low148 Ų14898.1 Ų98.158%0.5851%0.509SS*.Hα-helixtrans-64.6-45.1173.8179.3-101000111.7A16 L17 A18 F23 V24A16-Y20 VanDerWaalsContact O-CB 3.31Å; A16-Y20 WeakPolarHBondContact O-CB 3.36Å; A16-Y20 PolarHBondContact O-N 3.17Å; L17-Y20 WeakPolarHBondContact O-CB 3.37Å; L17-Y20 PolarHBondContact O-N 2.93Å; A18-Y20 VanDerWaalsContact C-N 3.33Å; Y20-F23 PolarHBondContact O-N 3.1Å; Y20-V24 HydrophobicContact CD1-CG2 4.23Å; Y20-V24 HydrophobicContact CD2-CG2 4.26Å; Y20-V24 HydrophobicContact CE1-CG2 3.89Å; Y20-V24 HydrophobicContact CE2-CG2 3.92Å; Y20-V24 HydrophobicContact CG-CG2 4.41Å; Y20-V24 WeakPolarHBondContact O-CB 3.3Å; Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 3.27Å
21F63.1Low63.3Low135 Ų13595.6 Ų95.659%0.59250%0.502SS*.Hα-helixtrans-64.3-43.8177.8-83.9-72.1000112.5L17 A18 F23 V24 E25L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 2.97Å; A18-F21 PolarHBondContact O-N 3.12Å; F21-F23 PolarHBondContact O-N 3.16Å; F21-V24 PolarHBondContact O-N 3.44Å; F21-E25 WeakPolarHBondContact O-CB 3.5Å; F21-E25 PolarHBondContact O-N 3.07Å
22I64.2Low62Low104 Ų10494.4 Ų94.453%0.53350%0.497SS..Hα-helixtrans-63.4-43.1176.4-66.5166.4000110.5A18 E25 E26A18-I22 VanDerWaalsContact O-CG1 3.27Å; A18-I22 WeakPolarHBondContact O-CG1 3.45Å; A18-I22 PolarHBondContact O-N 3.32Å; I22-E25 PolarHBondContact O-N 2.97Å; I22-E26 VanDerWaalsContact O-CB 3.28Å; I22-E26 WeakPolarHBondContact O-CB 3.47Å; I22-E26 PolarHBondContact O-N 3.37Å
23F49.2Very low60.6Low135 Ų13593.8 Ų93.859%0.59250%0.498SS*.Hα-helixtrans-68.4-35.5179.7-164.5-103000112.7S19 Y20 F21 I27S19-F23 WeakPolarHBondContact O-CB 3.44Å; S19-F23 PolarHBondContact O-N 3.33Å; Y20-F23 PolarHBondContact O-N 3.1Å; F21-F23 PolarHBondContact O-N 3.16Å; F23-I27 HydrophobicContact CD1-CD1 3.62Å; F23-I27 HydrophobicContact CE1-CD1 3.38Å; F23-I27 HydrophobicContact CE1-CG1 4.41Å; F23-I27 HydrophobicContact CG-CD1 4.45Å; F23-I27 HydrophobicContact CZ-CD1 4.04Å; F23-I27 VanDerWaalsContact O-CG1 3.26Å; F23-I27 WeakPolarHBondContact O-CG1 3.35Å; F23-I27 PolarHBondContact O-N 3.37Å; F23-I27 VanDerWaalsContact O-N 3.14Å
24V53.5Low59.1Low64 Ų6495.8 Ų95.839%0.38851%0.506SS..Hα-helixtrans-68.1-42.1174.3168.90000111.1Y20 F21 D28Y20-V24 HydrophobicContact CD1-CG2 4.23Å; Y20-V24 HydrophobicContact CD2-CG2 4.26Å; Y20-V24 HydrophobicContact CE1-CG2 3.89Å; Y20-V24 HydrophobicContact CE2-CG2 3.92Å; Y20-V24 HydrophobicContact CG-CG2 4.41Å; Y20-V24 WeakPolarHBondContact O-CB 3.3Å; Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 3.27Å; F21-V24 PolarHBondContact O-N 3.44Å; V24-D28 PolarHBondContact O-N 3.45Å; V24-D28 VanDerWaalsContact O-N 3.15Å
25E50.2Low57.5Low134 Ų13494.7 Ų94.763%0.62650%0.497SS*.Hα-helixtrans-71.6-32-179.2-160.2171.3-158.800112.6F21 I22 N29F21-E25 WeakPolarHBondContact O-CB 3.5Å; F21-E25 PolarHBondContact O-N 3.07Å; I22-E25 PolarHBondContact O-N 2.97Å; E25-N29 PolarHBondContact O-N 3.3Å
26E45.2Very low55.9Low131 Ų13192.8 Ų92.861%0.61249%0.493SS*.Hα-helixtrans-77.9-31.6177.1-159.8165.5-159.400112.8I22 S30I22-E26 VanDerWaalsContact O-CB 3.28Å; I22-E26 WeakPolarHBondContact O-CB 3.47Å; I22-E26 PolarHBondContact O-N 3.37Å; E26-S30 VanDerWaalsContact O-CB 3.24Å; E26-S30 WeakPolarHBondContact O-CB 3.2Å; E26-S30 PolarHBondContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 3.31Å
27I47.3Very low54.6Low76 Ų7694.4 Ų94.439%0.3950%0.501SS..Hα-helixtrans-65.8-45.6168.9-72.6170.9000110.8F23 N29 S30 D31F23-I27 HydrophobicContact CD1-CD1 3.62Å; F23-I27 HydrophobicContact CE1-CD1 3.38Å; F23-I27 HydrophobicContact CE1-CG1 4.41Å; F23-I27 HydrophobicContact CG-CD1 4.45Å; F23-I27 HydrophobicContact CZ-CD1 4.04Å; F23-I27 VanDerWaalsContact O-CG1 3.26Å; F23-I27 WeakPolarHBondContact O-CG1 3.35Å; F23-I27 PolarHBondContact O-N 3.37Å; F23-I27 VanDerWaalsContact O-N 3.14Å; I27-N29 PolarHBondContact O-N 3.46Å; I27-S30 PolarHBondContact O-OG 3.28Å; I27-D31 PolarHBondContact O-N 3.2Å
28D51.2Low53.5Low111 Ų11194.9 Ų94.959%0.59451%0.508SS*.Hα-helixtrans-64.9-40.3-175.1-148.914.2000112.2V24 V32V24-D28 PolarHBondContact O-N 3.45Å; V24-D28 VanDerWaalsContact O-N 3.15Å; D28-V32 WeakPolarHBondContact O-CG2 3.49Å
29N47.8Very low52.8Low114 Ų11496 Ų9661%0.6150%0.503SS*.Hα-helixtrans-78.3-33.8-179.3-94.2-35.3000114.4E25 I27 T33E25-N29 PolarHBondContact O-N 3.3Å; I27-N29 PolarHBondContact O-N 3.46Å; N29-T33 PolarHBondContact O-N 3.42Å; N29-T33 PolarHBondContact O-OG1 2.92Å
30S46.3Very low53.2Low52 Ų52100 Ų10036%0.36451%0.514SS..Hα-helixtrans-75.6-39-17764.30000112.6E26 I27 T33 I34E26-S30 VanDerWaalsContact O-CB 3.24Å; E26-S30 WeakPolarHBondContact O-CB 3.2Å; E26-S30 PolarHBondContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 3.31Å; I27-S30 PolarHBondContact O-OG 3.28Å; S30-T33 PolarHBondContact O-OG1 3.01Å; S30-I34 WeakPolarHBondContact O-CD1 3.22Å; S30-I34 VanDerWaalsContact O-CG1 3.27Å; S30-I34 WeakPolarHBondContact O-CG1 3.39Å; S30-I34 PolarHBondContact O-N 2.88Å
31D50.7Low53.9Low87 Ų8793.5 Ų93.547%0.46549%0.49SS..Hα-helixtrans-69.5-38.3176.2-84.5-27.9000112.3I27 T33 I34 L35I27-D31 PolarHBondContact O-N 3.2Å; D31-T33 PolarHBondContact O-N 2.64Å; D31-I34 PolarHBondContact O-N 3.26Å; D31-L35 HydrophobicContact CB-CD1 4.44Å; D31-L35 VanDerWaalsContact O-CB 3.31Å; D31-L35 WeakPolarHBondContact O-CB 3.08Å; D31-L35 WeakPolarHBondContact O-CD1 3.45Å; D31-L35 WeakPolarHBondContact O-CG 3.27Å; D31-L35 PolarHBondContact O-N 3.39Å
32V50.7Low55.1Low47 Ų4793.9 Ų93.929%0.28549%0.493SS..Hα-helixtrans-62.5-39.7178.6171.70000112.4D28 N36 F48D28-V32 WeakPolarHBondContact O-CG2 3.49Å; V32-N36 PolarHBondContact O-N 3.02Å; V32-F48 HydrophobicContact CB-CZ 4.26Å; V32-F48 HydrophobicContact CG2-CD1 4.5Å; V32-F48 HydrophobicContact CG2-CE1 3.54Å; V32-F48 HydrophobicContact CG2-CZ 3.66Å
33T48.2Very low56.5Low100 Ų10089.6 Ų89.661%0.61347%0.472SS*.Hα-helixtrans-76.2-33.9179.524.50000112.8N29 S30 D31N29-T33 PolarHBondContact O-N 3.42Å; N29-T33 PolarHBondContact O-OG1 2.92Å; S30-T33 PolarHBondContact O-OG1 3.01Å; D31-T33 PolarHBondContact O-N 2.64Å
34I46.9Very low58.4Low105 Ų10587.2 Ų87.254%0.53846%0.462SS..Hα-helixtrans-74.5-39178.8-65.3170.3000111.3S30 D31 S37 T38S30-I34 WeakPolarHBondContact O-CD1 3.22Å; S30-I34 VanDerWaalsContact O-CG1 3.27Å; S30-I34 WeakPolarHBondContact O-CG1 3.39Å; S30-I34 PolarHBondContact O-N 2.88Å; D31-I34 PolarHBondContact O-N 3.26Å; I34-S37 PolarHBondContact O-N 3.39Å; I34-S37 PolarHBondContact O-OG 2.8Å; I34-T38 PolarHBondContact O-OG1 2.72Å; I34-T38 VanDerWaalsContact O-OG1 3.05Å
35L50.2Low60.2Low44 Ų4489.2 Ų89.223%0.2348%0.476CS..Hα-helixtrans-63.8-41.3177.2-81.7157.1000112.7D31 S37 T38 Y39 F48D31-L35 HydrophobicContact CB-CD1 4.44Å; D31-L35 VanDerWaalsContact O-CB 3.31Å; D31-L35 WeakPolarHBondContact O-CB 3.08Å; D31-L35 WeakPolarHBondContact O-CD1 3.45Å; D31-L35 WeakPolarHBondContact O-CG 3.27Å; D31-L35 PolarHBondContact O-N 3.39Å; L35-S37 PolarHBondContact O-N 3.26Å; L35-T38 PolarHBondContact O-N 3.16Å; L35-T38 PolarHBondContact O-OG1 3.5Å; L35-Y39 HydrophobicContact CD2-CD2 4.09Å; L35-Y39 HydrophobicContact CD2-CE2 3.55Å; L35-Y39 WeakPolarHBondContact O-CD2 3.13Å; L35-Y39 PolarHBondContact O-N 3.05Å; L35-Y39 VanDerWaalsContact O-N 3.14Å; L35-F48 HydrophobicContact CB-CE2 4.39Å; L35-F48 HydrophobicContact CD1-CE2 4.3Å; L35-F48 HydrophobicContact CD1-CZ 3.92Å
36N48Very low62.2Low94 Ų9487 Ų8750%0.50346%0.462SS..Hα-helixtrans-65.9-22.2178.5-85.9-20.3000114.1V32V32-N36 PolarHBondContact O-N 3.02Å
37S46.8Very low64.5Low97 Ų9781 Ų8168%0.67843%0.434SS*.Hα-helixtrans-84.6-20.6177.974.80000113.9I34 L35I34-S37 PolarHBondContact O-N 3.39Å; I34-S37 PolarHBondContact O-OG 2.8Å; L35-S37 PolarHBondContact O-N 3.26Å
38T52.2Low66.7Low101 Ų10180.3 Ų80.362%0.6243%0.429SS*.Hα-helixtrans-101.2-22.8-176.338.70000113.2I34 L35I34-T38 PolarHBondContact O-OG1 2.72Å; I34-T38 VanDerWaalsContact O-OG1 3.05Å; L35-T38 PolarHBondContact O-N 3.16Å; L35-T38 PolarHBondContact O-OG1 3.5Å
39Y58.8Low68.7Low67 Ų6777 Ų7726%0.26341%0.413SS..  trans-82.2123174.4-86.2-95.8000111.5L35 C41 I43L35-Y39 HydrophobicContact CD2-CD2 4.09Å; L35-Y39 HydrophobicContact CD2-CE2 3.55Å; L35-Y39 WeakPolarHBondContact O-CD2 3.13Å; L35-Y39 PolarHBondContact O-N 3.05Å; L35-Y39 VanDerWaalsContact O-N 3.14Å; Y39-C41 PolarHBondContact O-N 3.06Å; Y39-I43 HydrophobicContact CD1-CD1 3.82Å; Y39-I43 HydrophobicContact CD2-CD1 4.19Å; Y39-I43 HydrophobicContact CE1-CD1 4.21Å; Y39-I43 HydrophobicContact CG-CD1 3.78Å
40Q75.1Confident70.9Confident155 Ų15575.5 Ų75.572%0.72440%0.404SS*.SBendtrans-75.5-2.2174.4-143.9-177.316.700113.1
41C85.9Confident73.2Confident10 Ų1074 Ų747%0.06839%0.393CS..SBendtrans-111140-179.3-740000109.9Y39 I43 C116Y39-C41 PolarHBondContact O-N 3.06Å; C41-I43 PolarHBondContact O-N 3.09Å; C41-C116 VanDerWaalsContact CA-SG 3.59Å; C41-C116 HydrophobicContact CB-CB 3.85Å; C41-C116 WeakPolarHBondContact CB-SG 3.28Å; C41-C116 WeakPolarHBondContact SG-CB 3.5Å; C41-C116 PolarHBondContact SG-N 3.5Å; C41-C116 VanDerWaalsContact SG-N 3.39Å; C41-C116 CovalentContact SG-SG 2.04Å; C41-C116 PolarHBondContact SG-SG 3.44Å
42H89.7Confident75.1Confident143 Ų14377.2 Ų77.266%0.66241%0.405SS*.  trans-76.5115.2169.5177.163.6000109.6Q44H42-Q44 PolarHBondContact CD2-NE2 3.16Å; H42-Q44 PolarHBondContact NE2-NE2 3.32Å
43I91.7Very high77Confident15 Ų1576.7 Ų76.78%0.07740%0.404CS..  trans-92.6121.8-178.7-58.3170000109Y39 C41 N47 F48 I142Y39-I43 HydrophobicContact CD1-CD1 3.82Å; Y39-I43 HydrophobicContact CD2-CD1 4.19Å; Y39-I43 HydrophobicContact CE1-CD1 4.21Å; Y39-I43 HydrophobicContact CG-CD1 3.78Å; C41-I43 PolarHBondContact O-N 3.09Å; I43-N47 HydrophobicContact CG2-CB 4.15Å; I43-F48 HydrophobicContact CG2-CD2 4.45Å; I43-I142 HydrophobicContact CD1-CG2 3.87Å
44Q89.6Confident78.9Confident85 Ų8573.3 Ų73.340%0.39738%0.383SS..  trans-67.4148.5175-65.7-65.2-33.500111.3H42 W46 N47 F48H42-Q44 PolarHBondContact CD2-NE2 3.16Å; H42-Q44 PolarHBondContact NE2-NE2 3.32Å; Q44-W46 VanDerWaalsContact C-N 3.3Å; Q44-W46 HydrophobicContact CB-CD2 4.47Å; Q44-W46 HydrophobicContact CB-CG 4.29Å; Q44-W46 HydrophobicContact CB-CZ2 4.47Å; Q44-W46 VanDerWaalsContact CB-NE1 3.25Å; Q44-W46 PolarHBondContact O-N 3.39Å; Q44-N47 CarbonylContact O-C 3.58Å; Q44-N47 WeakPolarHBondContact O-CA 3.42Å; Q44-N47 PolarHBondContact O-N 3.44Å; Q44-F48 PolarHBondContact O-N 3.02Å
45P92.1Very high80.6Confident105 Ų10568.6 Ų68.668%0.68236%0.359SS*.G310 helixtrans-54.8-41.1-177.7-27.835000114N47 F48P45-N47 PolarHBondContact O-N 3.18Å; P45-N47 VanDerWaalsContact O-N 3.13Å; P45-F48 PolarHBondContact O-N 3.49Å; P45-F48 VanDerWaalsContact O-N 3.15Å
46W91.6Very high81.9Confident89 Ų8971.5 Ų71.534%0.33738%0.378SS..G310 helixtrans-62.4-21.8177.565.5-101.7000113.1Q44 V90 R140 F166Q44-W46 VanDerWaalsContact C-N 3.3Å; Q44-W46 HydrophobicContact CB-CD2 4.47Å; Q44-W46 HydrophobicContact CB-CG 4.29Å; Q44-W46 HydrophobicContact CB-CZ2 4.47Å; Q44-W46 VanDerWaalsContact CB-NE1 3.25Å; Q44-W46 PolarHBondContact O-N 3.39Å; W46-V90 HydrophobicContact CZ3-CG1 4.03Å; W46-V90 HydrophobicContact CZ3-CG2 4.36Å; W46-R140 PolarHBondContact O-NH1 3.06Å; W46-R140 PolarHBondContact O-NH2 2.95Å; W46-F166 HydrophobicContact CB-CE2 4.18Å; W46-F166 AromaticContact CD2-CD2 3.97Å; W46-F166 HydrophobicContact CD2-CD2 3.97Å; W46-F166 AromaticContact CD2-CE2 3.57Å; W46-F166 HydrophobicContact CD2-CE2 3.57Å; W46-F166 AromaticContact CE2-CE2 3.97Å; W46-F166 HydrophobicContact CE3-CD2 4.05Å; W46-F166 AromaticContact CE3-CE2 3.87Å; W46-F166 HydrophobicContact CE3-CE2 3.87Å; W46-F166 AromaticContact CG-CE2 3.69Å; W46-F166 HydrophobicContact CG-CE2 3.69Å; W46-F166 HydrophobicContact CH2-CD2 4.4Å; W46-F166 HydrophobicContact CZ2-CD2 4.28Å; W46-F166 HydrophobicContact CZ3-CD2 4.28Å
47N93.3Very high83.7Confident4 Ų468.8 Ų68.82%0.02137%0.367CS..G310 helixtrans-101.24-178.1-151.922.2000113.5I43 Q44 P45 V49 G143 A144I43-N47 HydrophobicContact CG2-CB 4.15Å; Q44-N47 CarbonylContact O-C 3.58Å; Q44-N47 WeakPolarHBondContact O-CA 3.42Å; Q44-N47 PolarHBondContact O-N 3.44Å; P45-N47 PolarHBondContact O-N 3.18Å; P45-N47 VanDerWaalsContact O-N 3.13Å; N47-V49 PolarHBondContact O-N 3.4Å; N47-G143 PolarHBondContact O-N 3.06Å; N47-A144 PolarHBondContact ND2-O 3.01Å
48F93.7Very high85.5Confident62 Ų6273.4 Ų73.427%0.27237%0.371SS..  trans-83.354.2169.4-158.2-93.5000110.3V32 L35 I43 Q44 P45 I142V32-F48 HydrophobicContact CB-CZ 4.26Å; V32-F48 HydrophobicContact CG2-CD1 4.5Å; V32-F48 HydrophobicContact CG2-CE1 3.54Å; V32-F48 HydrophobicContact CG2-CZ 3.66Å; L35-F48 HydrophobicContact CB-CE2 4.39Å; L35-F48 HydrophobicContact CD1-CE2 4.3Å; L35-F48 HydrophobicContact CD1-CZ 3.92Å; I43-F48 HydrophobicContact CG2-CD2 4.45Å; Q44-F48 PolarHBondContact O-N 3.02Å; P45-F48 PolarHBondContact O-N 3.49Å; P45-F48 VanDerWaalsContact O-N 3.15Å; F48-I142 HydrophobicContact CD2-CG2 4.03Å; F48-I142 HydrophobicContact CE2-CG2 4.21Å
49V93.8Very high87.2Confident42 Ų4273 Ų7326%0.25537%0.365SS..  trans-134.1128-175.4-178.90000110.2N47 T51 R140 R141 I142N47-V49 PolarHBondContact O-N 3.4Å; V49-T51 HydrophobicContact CG1-CG2 4.08Å; V49-R140 HydrophobicContact CG1-CB 4.32Å; V49-R141 CarbonylContact O-C 3.53Å; V49-I142 PolarHBondContact O-N 2.87Å
50N94.5Very high88.6Confident81 Ų8172 Ų7243%0.43336%0.363SS..  trans-122127.1171.5-165.5-23.5000109.2R140 R141 I142N50-R140 PolarHBondContact OD1-O 2.91Å; N50-R141 PolarHBondContact OD1-NH1 3.48Å; N50-I142 HydrophobicContact CB-CD1 3.97Å; N50-I142 HydrophobicContact CB-CG1 3.99Å
51T94.4Very high89.1Confident21 Ų2168.1 Ų68.113%0.12934%0.342CS..  trans-115.1144.5176.163.70000111.7V49 S53 D93 P139 R140 R141V49-T51 HydrophobicContact CG1-CG2 4.08Å; T51-S53 PolarHBondContact OG1-O 3.17Å; T51-D93 WeakPolarHBondContact CG2-O 3.38Å; T51-D93 PolarHBondContact OG1-O 3.29Å; T51-P139 VanDerWaalsContact O-CB 3.22Å; T51-P139 WeakPolarHBondContact O-CB 3.46Å; T51-P139 WeakPolarHBondContact OG1-CA 3.48Å; T51-P139 WeakPolarHBondContact OG1-CB 3.39Å; T51-R140 HydrophobicContact CG2-CB 4.24Å; T51-R140 HydrophobicContact CG2-CG 4.37Å; T51-R140 PolarHBondContact N-O 2.93Å; T51-R140 VanDerWaalsContact N-O 3.12Å; T51-R140 PolarHBondContact OG1-N 2.81Å; T51-R141 PolarHBondContact O-NH1 2.79Å
52Q90.8Very high89.2Confident154 Ų15473 Ų7372%0.7236%0.363SS*.SBendtrans-85.8-13.4178.9-60.9-63.1-17.800112.5W126Q52-W126 WeakPolarHBondContact O-CH2 3.15Å
53S89.2Confident89.2Confident36 Ų3666.9 Ų66.925%0.25234%0.336SS..SBendtrans-150.3165.6-178.858.40000111.5T51 D55 R61T51-S53 PolarHBondContact OG1-O 3.17Å; S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 3.27Å; S53-D55 PolarHBondContact OG-O 3.31Å; S53-R61 PolarHBondContact OG-NH1 3.21Å
54T88.3Confident89Confident30 Ų3067.1 Ų67.118%0.18434%0.336CS..SBendtrans-78.1-8.2178.957.80000114.5H94 Q137T54-H94 WeakPolarHBondContact O-CB 3.2Å; T54-Q137 HydrophobicContact CG2-CB 3.89Å; T54-Q137 WeakPolarHBondContact CG2-O 3.38Å
55D83.9Confident89Confident6 Ų669.6 Ų69.63%0.03234%0.342CS..  trans-147.3141.5176.6-67.3-91.2000109.9S53 N60 R61 K64S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 3.27Å; S53-D55 PolarHBondContact OG-O 3.31Å; D55-N60 HydrophobicContact CB-CB 4.49Å; D55-R61 HydrophobicContact CB-CG 3.66Å; D55-R61 PolarHBondContact O-NH1 3.27Å; D55-K64 WeakPolarHBondContact OD1-CE 3.34Å; D55-K64 IonicContact OD1-NZ 2.84Å; D55-K64 PolarHBondContact OD1-NZ 2.78Å; D55-K64 VanDerWaalsContact OD2-CD 3.26Å; D55-K64 WeakPolarHBondContact OD2-CD 3.47Å; D55-K64 WeakPolarHBondContact OD2-CE 3.48Å; D55-K64 IonicContact OD2-NZ 2.74Å; D55-K64 PolarHBondContact OD2-NZ 3.06Å
56T75.9Confident88.8Confident104 Ų10467 Ų6764%0.63832%0.322SS*.SBendtrans-84.6-30.7174.355.30000112.4D93T56-D93 HydrophobicContact CG2-CB 4.02Å
57S86.4Confident88.7Confident38 Ų3864.7 Ų64.727%0.26631%0.313SS..  trans-81.8124.6-177.7168.40000112.9L59 N60 R61S57-L59 VanDerWaalsContact C-N 3.29Å; S57-L59 PolarHBondContact O-N 3.27Å; S57-L59 PolarHBondContact OG-N 3.4Å; S57-N60 PolarHBondContact O-N 3.03Å; S57-N60 PolarHBondContact OG-N 3.24Å; S57-N60 PolarHBondContact OG-OD1 3.23Å; S57-R61 WeakPolarHBondContact O-CG 3.35Å; S57-R61 PolarHBondContact O-N 2.75Å
58Y85.3Confident88.4Confident194 Ų19466.7 Ų66.776%0.76132%0.324SS*.Hα-helixtrans-58.7-39173-76.8-84.6000112.8R61 F62Y58-R61 VanDerWaalsContact CG-NH2 3.31Å; Y58-R61 VanDerWaalsContact CZ-NH2 3.27Å; Y58-R61 PolarHBondContact O-N 2.93Å; Y58-F62 WeakPolarHBondContact O-CB 3.24Å; Y58-F62 PolarHBondContact O-N 2.94Å
59L87.6Confident87.9Confident93 Ų9370.1 Ų70.149%0.48734%0.338SS..Hα-helixtrans-67-41.7178.2-69.7175.6000111.1S57 R61 F62 S63 F364S57-L59 VanDerWaalsContact C-N 3.29Å; S57-L59 PolarHBondContact O-N 3.27Å; S57-L59 PolarHBondContact OG-N 3.4Å; L59-R61 PolarHBondContact O-N 3.05Å; L59-F62 PolarHBondContact O-N 3.28Å; L59-S63 PolarHBondContact O-N 2.88Å; L59-S63 PolarHBondContact O-OG 3.25Å; L59-S63 VanDerWaalsContact O-OG 3.13Å; L59-F364 HydrophobicContact CD1-CD1 4.19Å
60N87.6Confident87.2Confident44 Ų4475.7 Ų75.724%0.23536%0.359CS..Hα-helixtrans-64.6-42.9177.8-67.27000111D55 S57 F62 S63 K64 Y363D55-N60 HydrophobicContact CB-CB 4.49Å; S57-N60 PolarHBondContact O-N 3.03Å; S57-N60 PolarHBondContact OG-N 3.24Å; S57-N60 PolarHBondContact OG-OD1 3.23Å; N60-F62 VanDerWaalsContact C-N 3.32Å; N60-F62 PolarHBondContact O-N 3.12Å; N60-S63 PolarHBondContact O-N 2.67Å; N60-K64 WeakPolarHBondContact O-CG 3.43Å; N60-K64 PolarHBondContact O-N 3.31Å; N60-Y363 HydrophobicContact CB-CD1 3.89Å; N60-Y363 HydrophobicContact CB-CE1 3.75Å
61R86.6Confident86.2Confident74 Ų7475.3 Ų75.328%0.27935%0.352SS..Hα-helixtrans-58.3-44.7173.3-72.1-169-67.4-119.32.9111.8S53 D55 S57 Y58 L59 K64 W65S53-R61 PolarHBondContact OG-NH1 3.21Å; D55-R61 HydrophobicContact CB-CG 3.66Å; D55-R61 PolarHBondContact O-NH1 3.27Å; S57-R61 WeakPolarHBondContact O-CG 3.35Å; S57-R61 PolarHBondContact O-N 2.75Å; Y58-R61 VanDerWaalsContact CG-NH2 3.31Å; Y58-R61 VanDerWaalsContact CZ-NH2 3.27Å; Y58-R61 PolarHBondContact O-N 2.93Å; L59-R61 PolarHBondContact O-N 3.05Å; R61-K64 PolarHBondContact O-N 2.92Å; R61-W65 WeakPolarHBondContact O-CB 3.42Å; R61-W65 PolarHBondContact O-N 3.31Å
62F87.6Confident84.5Confident114 Ų11481.4 Ų81.450%0.538%0.383SS..Hα-helixtrans-64.5-43.9177.8-179.3-111000112Y58 L59 N60 W65 L66Y58-F62 WeakPolarHBondContact O-CB 3.24Å; Y58-F62 PolarHBondContact O-N 2.94Å; L59-F62 PolarHBondContact O-N 3.28Å; N60-F62 VanDerWaalsContact C-N 3.32Å; N60-F62 PolarHBondContact O-N 3.12Å; F62-W65 HydrophobicContact CD2-CE3 4.08Å; F62-W65 HydrophobicContact CD2-CZ3 4.48Å; F62-W65 AromaticContact CE2-CE3 3.93Å; F62-W65 HydrophobicContact CE2-CE3 3.93Å; F62-W65 AromaticContact CE2-CZ3 3.88Å; F62-W65 HydrophobicContact CE2-CZ3 3.88Å; F62-W65 PolarHBondContact O-N 2.89Å; F62-L66 HydrophobicContact CD1-CD1 3.84Å; F62-L66 HydrophobicContact CD1-CG 4.43Å; F62-L66 HydrophobicContact CE1-CD1 3.35Å; F62-L66 HydrophobicContact CE1-CG 4.06Å; F62-L66 HydrophobicContact CE2-CD1 4.4Å; F62-L66 HydrophobicContact CE2-CD2 4.44Å; F62-L66 HydrophobicContact CE2-CG 4.22Å; F62-L66 HydrophobicContact CZ-CD1 3.67Å; F62-L66 HydrophobicContact CZ-CD2 4.11Å; F62-L66 HydrophobicContact CZ-CG 3.94Å; F62-L66 WeakPolarHBondContact O-CG 3.41Å; F62-L66 PolarHBondContact O-N 3.43Å
63S89.5Confident82.9Confident13 Ų1377.6 Ų77.69%0.09137%0.372CS..Hα-helixtrans-58.4-49.4174.5-65.70000111.9L59 N60 W65 L66 W67L59-S63 PolarHBondContact O-N 2.88Å; L59-S63 PolarHBondContact O-OG 3.25Å; L59-S63 VanDerWaalsContact O-OG 3.13Å; N60-S63 PolarHBondContact O-N 2.67Å; S63-W65 PolarHBondContact O-N 3.35Å; S63-L66 WeakPolarHBondContact O-CB 3.44Å; S63-L66 PolarHBondContact O-N 3.05Å; S63-W67 PolarHBondContact O-N 3.28Å
64K87.6Confident81.3Confident20 Ų2080.4 Ų80.49%0.08739%0.387CS..Hα-helixtrans-60.7-44.5176.9-73-179.1-176.7176.30112.1D55 N60 R61 L66 W67 I68 Y363D55-K64 WeakPolarHBondContact OD1-CE 3.34Å; D55-K64 IonicContact OD1-NZ 2.84Å; D55-K64 PolarHBondContact OD1-NZ 2.78Å; D55-K64 VanDerWaalsContact OD2-CD 3.26Å; D55-K64 WeakPolarHBondContact OD2-CD 3.47Å; D55-K64 WeakPolarHBondContact OD2-CE 3.48Å; D55-K64 IonicContact OD2-NZ 2.74Å; D55-K64 PolarHBondContact OD2-NZ 3.06Å; N60-K64 WeakPolarHBondContact O-CG 3.43Å; N60-K64 PolarHBondContact O-N 3.31Å; R61-K64 PolarHBondContact O-N 2.92Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L66 PolarHBondContact O-N 3.42Å; K64-W67 HydrophobicContact CB-CE3 4.47Å; K64-W67 HydrophobicContact CG-CE3 4.05Å; K64-W67 HydrophobicContact CG-CZ3 3.93Å; K64-W67 PolarHBondContact O-N 3.26Å; K64-I68 VanDerWaalsContact O-CG1 3.28Å; K64-I68 WeakPolarHBondContact O-CG1 3.03Å; K64-I68 PolarHBondContact O-N 2.87Å; K64-Y363 WeakPolarHBondContact CE-OH 3.38Å; K64-Y363 HydrophobicContact CG-CE1 4.48Å; K64-Y363 PolarHBondContact NZ-OH 3.26Å
65W88.6Confident79.6Confident137 Ų13787.3 Ų87.352%0.51942%0.418SS..Hα-helixtrans-58.3-45.5175.617487000111.8R61 F62 S63 I68 K69R61-W65 WeakPolarHBondContact O-CB 3.42Å; R61-W65 PolarHBondContact O-N 3.31Å; F62-W65 HydrophobicContact CD2-CE3 4.08Å; F62-W65 HydrophobicContact CD2-CZ3 4.48Å; F62-W65 AromaticContact CE2-CE3 3.93Å; F62-W65 HydrophobicContact CE2-CE3 3.93Å; F62-W65 AromaticContact CE2-CZ3 3.88Å; F62-W65 HydrophobicContact CE2-CZ3 3.88Å; F62-W65 PolarHBondContact O-N 2.89Å; S63-W65 PolarHBondContact O-N 3.35Å; W65-I68 PolarHBondContact O-N 3.03Å; W65-K69 HydrophobicContact CD2-CG 4.23Å; W65-K69 HydrophobicContact CZ2-CG 4.01Å; W65-K69 WeakPolarHBondContact O-CB 3.48Å; W65-K69 VanDerWaalsContact O-CG 3.29Å; W65-K69 WeakPolarHBondContact O-CG 3.43Å; W65-K69 PolarHBondContact O-N 3.43Å
66L88.1Confident78.1Confident50 Ų5091.4 Ų91.426%0.26244%0.44SS..Hα-helixtrans-59-49.1174.8-77.4173.8000111F62 S63 K64 I68 K69 F70F62-L66 HydrophobicContact CD1-CD1 3.84Å; F62-L66 HydrophobicContact CD1-CG 4.43Å; F62-L66 HydrophobicContact CE1-CD1 3.35Å; F62-L66 HydrophobicContact CE1-CG 4.06Å; F62-L66 HydrophobicContact CE2-CD1 4.4Å; F62-L66 HydrophobicContact CE2-CD2 4.44Å; F62-L66 HydrophobicContact CE2-CG 4.22Å; F62-L66 HydrophobicContact CZ-CD1 3.67Å; F62-L66 HydrophobicContact CZ-CD2 4.11Å; F62-L66 HydrophobicContact CZ-CG 3.94Å; F62-L66 WeakPolarHBondContact O-CG 3.41Å; F62-L66 PolarHBondContact O-N 3.43Å; S63-L66 WeakPolarHBondContact O-CB 3.44Å; S63-L66 PolarHBondContact O-N 3.05Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L66 PolarHBondContact O-N 3.42Å; L66-I68 PolarHBondContact O-N 3.23Å; L66-K69 PolarHBondContact O-N 2.79Å; L66-K69 VanDerWaalsContact O-N 3.14Å; L66-F70 HydrophobicContact CB-CD2 4.49Å; L66-F70 HydrophobicContact CD2-CD2 4.14Å; L66-F70 HydrophobicContact CD2-CE2 3.69Å; L66-F70 VanDerWaalsContact O-CD2 3.22Å; L66-F70 WeakPolarHBondContact O-CD2 3.46Å; L66-F70 PolarHBondContact O-N 3.12Å
67W89.8Confident77.3Confident42 Ų4290.1 Ų90.116%0.15943%0.428CS..Hα-helixtrans-61.8-45.3-179-55.4-30.1000111.7S63 K64 K69 F70 Y71 F131 L353 A361 K362 Y363S63-W67 PolarHBondContact O-N 3.28Å; K64-W67 HydrophobicContact CB-CE3 4.47Å; K64-W67 HydrophobicContact CG-CE3 4.05Å; K64-W67 HydrophobicContact CG-CZ3 3.93Å; K64-W67 PolarHBondContact O-N 3.26Å; W67-K69 VanDerWaalsContact C-N 3.27Å; W67-K69 PolarHBondContact O-N 3.36Å; W67-F70 PolarHBondContact O-N 2.76Å; W67-Y71 WeakPolarHBondContact O-CB 3.47Å; W67-Y71 PolarHBondContact O-N 3.34Å; W67-F131 HydrophobicContact CB-CE1 3.67Å; W67-F131 HydrophobicContact CB-CZ 3.55Å; W67-L353 HydrophobicContact CB-CD1 4.06Å; W67-L353 HydrophobicContact CD2-CD1 4.47Å; W67-L353 HydrophobicContact CG-CD1 4.25Å; W67-A361 HydrophobicContact CD2-CB 3.85Å; W67-A361 HydrophobicContact CE3-CB 4.42Å; W67-A361 HydrophobicContact CG-CB 4.18Å; W67-A361 HydrophobicContact CH2-CB 4.46Å; W67-A361 HydrophobicContact CZ2-CB 3.87Å; W67-K362 VanDerWaalsContact CZ2-O 3.27Å; W67-K362 WeakPolarHBondContact CZ2-O 3.4Å; W67-Y363 AromaticContact CH2-CD1 3.75Å; W67-Y363 HydrophobicContact CH2-CD1 3.75Å; W67-Y363 AromaticContact CH2-CE1 3.86Å; W67-Y363 HydrophobicContact CH2-CE1 3.86Å; W67-Y363 HydrophobicContact CH2-CG 4.32Å; W67-Y363 HydrophobicContact CZ3-CD1 4.34Å; W67-Y363 AromaticContact CZ3-CE1 3.98Å; W67-Y363 HydrophobicContact CZ3-CE1 3.98Å
68I86.6Confident75.9Confident46 Ų4690.4 Ų90.424%0.23643%0.425CS..Hα-helixtrans-57.1-43.3174.9-68.3163.4000110.7K64 W65 L66 K106 F131K64-I68 VanDerWaalsContact O-CG1 3.28Å; K64-I68 WeakPolarHBondContact O-CG1 3.03Å; K64-I68 PolarHBondContact O-N 2.87Å; W65-I68 PolarHBondContact O-N 3.03Å; L66-I68 PolarHBondContact O-N 3.23Å; I68-K106 HydrophobicContact CG2-CG 4.24Å; I68-K106 WeakPolarHBondContact O-CE 3.41Å; I68-K106 PolarHBondContact O-NZ 2.88Å; I68-F131 HydrophobicContact CB-CD2 4.42Å; I68-F131 HydrophobicContact CB-CG 4.48Å; I68-F131 HydrophobicContact CD1-CB 4.16Å; I68-F131 HydrophobicContact CD1-CD1 4.12Å; I68-F131 HydrophobicContact CD1-CG 4.15Å; I68-F131 HydrophobicContact CG1-CB 3.78Å; I68-F131 HydrophobicContact CG1-CD1 3.41Å; I68-F131 VanDerWaalsContact CG1-CD1 3.41Å; I68-F131 HydrophobicContact CG1-CD2 3.69Å; I68-F131 HydrophobicContact CG1-CE1 3.81Å; I68-F131 HydrophobicContact CG1-CE2 4.08Å; I68-F131 HydrophobicContact CG1-CG 3.32Å; I68-F131 HydrophobicContact CG1-CZ 4.12Å
69K84.8Confident74.4Confident133 Ų13387.9 Ų87.958%0.57843%0.425SS*.Hα-helixtrans-66.2-44.5-179.3-75.6-69.7-174.7-178.90112.7W65 L66 W67W65-K69 HydrophobicContact CD2-CG 4.23Å; W65-K69 HydrophobicContact CZ2-CG 4.01Å; W65-K69 WeakPolarHBondContact O-CB 3.48Å; W65-K69 VanDerWaalsContact O-CG 3.29Å; W65-K69 WeakPolarHBondContact O-CG 3.43Å; W65-K69 PolarHBondContact O-N 3.43Å; L66-K69 PolarHBondContact O-N 2.79Å; L66-K69 VanDerWaalsContact O-N 3.14Å; W67-K69 VanDerWaalsContact C-N 3.27Å; W67-K69 PolarHBondContact O-N 3.36Å
70F78.3Confident72.9Confident160 Ų16089 Ų8970%0.70243%0.432SS*.Hα-helixtrans-95.2-6.6-172.4-69.3-70.3000114.6L66 W67 L72L66-F70 HydrophobicContact CB-CD2 4.49Å; L66-F70 HydrophobicContact CD2-CD2 4.14Å; L66-F70 HydrophobicContact CD2-CE2 3.69Å; L66-F70 VanDerWaalsContact O-CD2 3.22Å; L66-F70 WeakPolarHBondContact O-CD2 3.46Å; L66-F70 PolarHBondContact O-N 3.12Å; W67-F70 PolarHBondContact O-N 2.76Å; F70-L72 PolarHBondContact O-N 3.47Å
71Y73.8Confident71.9Confident72 Ų7289.1 Ų89.128%0.28243%0.434SS..PPolyproline II helixtrans-68.7120.6175.9-165.2-87.3000110.8W67 I105 K106 F131 L353W67-Y71 WeakPolarHBondContact O-CB 3.47Å; W67-Y71 PolarHBondContact O-N 3.34Å; Y71-I105 HydrophobicContact CD1-CD1 3.72Å; Y71-I105 HydrophobicContact CE1-CD1 3.26Å; Y71-K106 PolarHBondContact O-NZ 2.86Å; Y71-F131 HydrophobicContact CD2-CE2 4.19Å; Y71-F131 HydrophobicContact CD2-CZ 4.42Å; Y71-F131 AromaticContact CG-CE2 3.93Å; Y71-F131 HydrophobicContact CG-CE2 3.93Å; Y71-L353 HydrophobicContact CD2-CD1 4.37Å
72L58.1Low71.5Confident149 Ų14990.6 Ų90.678%0.7844%0.444SS*.PPolyproline II helixtrans-88.1121.5171-65.6172.5000108.1F70 V74F70-L72 PolarHBondContact O-N 3.47Å; L72-V74 PolarHBondContact O-N 2.69Å
73P57.8Low71.4Confident74 Ų7486.6 Ų86.648%0.48143%0.428SS..PPolyproline II helixtrans-60.7136.4175.524.9-30.6000109.7
74V55.5Low71.3Confident95 Ų9587.5 Ų87.558%0.57643%0.434SS*.PPolyproline II helixtrans-69.3148.1170.4-178.20000108.2L72L72-V74 PolarHBondContact O-N 2.69Å
75E52.8Low71.5Confident176 Ų17687.5 Ų87.582%0.82243%0.434SS*.PPolyproline II helixtrans-50.1148.9179.1-72.1-175.1159.400113L77E75-L77 PolarHBondContact O-N 2.93Å
76N53Low71.7Confident92 Ų9282.8 Ų82.849%0.49242%0.419SS..  trans-59.8111-179.3-81.9-18.3000111.4H103N76-H103 PolarHBondContact OD1-CE1 3.08Å; N76-H103 VanDerWaalsContact OD1-CE1 3.31Å; N76-H103 PolarHBondContact OD1-ND1 2.86Å
77L57.8Low72.1Confident77 Ų7780.9 Ų80.940%0.40341%0.411SS..SBendtrans-85.8-18.1169.2-71.3158.3000112E75 V244 I246E75-L77 PolarHBondContact O-N 2.93Å; L77-V244 HydrophobicContact CB-CG2 4.38Å; L77-V244 HydrophobicContact CD2-CG2 4.31Å; L77-I246 HydrophobicContact CD1-CG2 3.95Å; L77-I246 HydrophobicContact CD2-CG2 4.01Å
78H58.3Low72.4Confident43 Ų4378.9 Ų78.920%0.19940%0.403CS..  trans-150144.2-178.7-71.2-70.4000112.7Q102 H242 R243 V244H78-Q102 PolarHBondContact CD2-OE1 3.01Å; H78-H242 PolarHBondContact CE1-O 3.21Å; H78-R243 VanDerWaalsContact CE1-CA 3.5Å; H78-R243 WeakPolarHBondContact CE1-CA 3.34Å; H78-R243 WeakPolarHBondContact NE2-CA 3.45Å; H78-V244 PolarHBondContact CE1-N 2.83Å; H78-V244 VanDerWaalsContact CE1-N 3.27Å; H78-V244 WeakPolarHBondContact NE2-CG2 3.24Å; H78-V244 PolarHBondContact NE2-N 2.89Å
79N52.3Low73Confident141 Ų14176.7 Ų76.775%0.75439%0.392SS*.SBendtrans-101.9-10.7-176.3-75.7-13.8000115
80N57.6Low73.6Confident118 Ų11870.4 Ų70.463%0.63137%0.365SS*.  trans-138.3110.6-177-66.7-23.6000111Y241N80-Y241 HydrophobicContact CB-CD1 4.49Å; N80-Y241 HydrophobicContact CB-CE1 4.33Å
81T66Low74.5Confident45 Ų4563 Ų6328%0.27633%0.332SS..  trans-138.3131.8165.765.10000110.3Q102T81-Q102 PolarHBondContact OG1-N 3.43Å; T81-Q102 PolarHBondContact OG1-O 3.44Å
82E78.3Confident75.4Confident106 Ų10662.1 Ų62.150%0.49534%0.335SS..  trans-87.9143.8168.2-80.4166.8-170.100109S84 T101 K240 Y241E82-S84 PolarHBondContact O-N 2.83Å; E82-T101 WeakPolarHBondContact O-CG2 3.43Å; E82-K240 IonicContact OE1-NZ 4Å; E82-K240 PolarHBondContact OE1-NZ 2.71Å; E82-K240 IonicContact OE2-NZ 3.3Å; E82-K240 PolarHBondContact OE2-NZ 2.99Å; E82-Y241 HydrophobicContact CB-CE2 4.11Å; E82-Y241 HydrophobicContact CG-CE2 4.4Å; E82-Y241 VanDerWaalsContact CG-OH 3.24Å; E82-Y241 WeakPolarHBondContact CG-OH 2.92Å; E82-Y241 PolarHBondContact OE1-OH 2.89Å; E82-Y241 VanDerWaalsContact OE1-OH 3.13Å; E82-Y241 PolarHBondContact OE2-OH 3.49Å
83I84.1Confident77Confident30 Ų3056.3 Ų56.315%0.15431%0.305CS..  trans-63119.9177.9-53.8173.7000109.9L99 T101 L109 V149 E151 I159I83-L99 HydrophobicContact CG2-CD2 4.39Å; I83-T101 HydrophobicContact CB-CG2 4.23Å; I83-T101 HydrophobicContact CG1-CG2 4.11Å; I83-L109 HydrophobicContact CD1-CD1 4.03Å; I83-L109 HydrophobicContact CD1-CD2 3.44Å; I83-L109 VanDerWaalsContact CD1-CD2 3.44Å; I83-L109 HydrophobicContact CD1-CG 4.4Å; I83-L109 HydrophobicContact CG2-CD1 4.33Å; I83-V149 HydrophobicContact CG2-CG2 3.64Å; I83-E151 HydrophobicContact CD1-CG 3.71Å; I83-I159 HydrophobicContact CB-CD1 3.85Å; I83-I159 HydrophobicContact CG2-CD1 3.56Å; I83-I159 WeakPolarHBondContact O-CD1 3.44Å
84S88.3Confident78.8Confident32 Ų3253.5 Ų53.522%0.22429%0.286CS..  trans-142.3156.8172.959.20000109.6E82 L99 I100E82-S84 PolarHBondContact O-N 2.83Å; S84-L99 CarbonylContact O-C 3.6Å; S84-L99 VanDerWaalsContact O-CA 3.28Å; S84-L99 WeakPolarHBondContact O-CA 3.27Å; S84-I100 PolarHBondContact O-N 2.65Å; S84-I100 WeakPolarHBondContact OG-CB 2.98Å
85I92.1Very high80.8Confident19 Ų1949.1 Ų49.110%0.09726%0.259CS..EExtended strand (participates in β ladder)trans-109129.6-174.2-58.8168.5000108.6I97 L99 V149 I159 V162I85-I97 HydrophobicContact CB-CG2 4.4Å; I85-I97 HydrophobicContact CD1-CG2 4.27Å; I85-I97 HydrophobicContact CG1-CG2 4.08Å; I85-I97 HydrophobicContact CG2-CG2 3.48Å; I85-I97 VanDerWaalsContact CG2-CG2 3.48Å; I85-L99 HydrophobicContact CG1-CD2 4.04Å; I85-V149 HydrophobicContact CD1-CG2 4.21Å; I85-V149 HydrophobicContact CG1-CG2 4.22Å; I85-I159 HydrophobicContact CD1-CG2 3.78Å; I85-I159 HydrophobicContact CG1-CG2 4.01Å; I85-V162 HydrophobicContact CB-CG1 3.98Å; I85-V162 HydrophobicContact CB-CG2 4.43Å; I85-V162 HydrophobicContact CD1-CG2 4.44Å; I85-V162 HydrophobicContact CG2-CB 4.26Å; I85-V162 HydrophobicContact CG2-CG1 3.78Å; I85-V162 HydrophobicContact CG2-CG2 3.51Å
86L92.4Very high83Confident39 Ų3940.7 Ų40.720%0.20422%0.219CC..EExtended strand (participates in β ladder)trans-81.8-51.3172-177.561.5000110.7T98 I100 V235 L251 D255L86-T98 HydrophobicContact CB-CG2 4.03Å; L86-T98 HydrophobicContact CD2-CG2 3.98Å; L86-T98 PolarHBondContact N-O 2.96Å; L86-I100 HydrophobicContact CB-CD1 4.5Å; L86-I100 HydrophobicContact CB-CG1 3.86Å; L86-V235 HydrophobicContact CD1-CG1 4.23Å; L86-L251 HydrophobicContact CD2-CD2 4.36Å; L86-L251 HydrophobicContact CD2-CG 4.38Å; L86-D255 HydrophobicContact CD2-CB 3.87Å
87A95.7Very high85.1Confident10 Ų1036.3 Ų36.38%0.08320%0.196CC..EExtended strand (participates in β ladder)trans-160.6164.3-175.300000111Y89 T98A87-Y89 HydrophobicContact CB-CE1 4.45Å; A87-Y89 HydrophobicContact CB-CE2 3.98Å; A87-Y89 WeakPolarHBondContact CB-OH 3.41Å; A87-T98 PolarHBondContact N-O 2.84Å; A87-T98 PolarHBondContact O-N 2.97Å
88A98Very high86.8Confident0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-135.9144.916900000110.6S96 I97 V147 V162 L164 T165A88-S96 CarbonylContact C-O 3.54Å; A88-S96 WeakPolarHBondContact CA-O 3.14Å; A88-I97 HydrophobicContact CB-CG1 4.15Å; A88-V147 HydrophobicContact CB-CG2 3.35Å; A88-V162 HydrophobicContact CB-CG2 3.67Å; A88-L164 HydrophobicContact CB-CD2 3.94Å; A88-T165 VanDerWaalsContact O-CB 3.23Å; A88-T165 WeakPolarHBondContact O-CB 3.37Å; A88-T165 PolarHBondContact O-N 3.31Å; A88-T165 PolarHBondContact O-OG1 3Å; A88-T165 VanDerWaalsContact O-OG1 3.14Å
89Y98.1Very high88.4Confident0 Ų030.6 Ų30.60%017%0.167CC..EExtended strand (participates in β ladder)trans-128.7134-175.2-50.9-82.1000109.9A87 I95 S96 T165 R167 D255 L258 R259A87-Y89 HydrophobicContact CB-CE1 4.45Å; A87-Y89 HydrophobicContact CB-CE2 3.98Å; A87-Y89 WeakPolarHBondContact CB-OH 3.41Å; Y89-I95 CarbonylContact O-C 3.56Å; Y89-I95 VanDerWaalsContact O-CA 3.24Å; Y89-I95 WeakPolarHBondContact O-CA 3.49Å; Y89-S96 PolarHBondContact N-O 2.95Å; Y89-S96 PolarHBondContact O-N 2.94Å; Y89-T165 WeakPolarHBondContact CA-O 3.23Å; Y89-T165 HydrophobicContact CD1-CG2 3.95Å; Y89-T165 HydrophobicContact CE1-CG2 4.21Å; Y89-R167 HydrophobicContact CD1-CG 4.26Å; Y89-D255 VanDerWaalsContact OH-CG 3.27Å; Y89-D255 PolarHBondContact OH-OD1 3.22Å; Y89-D255 PolarHBondContact OH-OD2 2.85Å; Y89-L258 HydrophobicContact CD2-CB 3.72Å; Y89-L258 HydrophobicContact CD2-CD1 4.35Å; Y89-L258 HydrophobicContact CE2-CB 3.73Å; Y89-L258 HydrophobicContact CE2-CD1 4.4Å; Y89-L258 HydrophobicContact CG-CB 4.49Å; Y89-R259 HydrophobicContact CE1-CB 3.86Å; Y89-R259 HydrophobicContact CE1-CG 3.95Å; Y89-R259 PolarHBondContact OH-NE 2.68Å; Y89-R259 PolarHBondContact OH-NH2 2.63Å
90V97.7Very high90Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-103.7120.4174.859.20000110.5W46 I95 L164 T165 R167 V168W46-V90 HydrophobicContact CZ3-CG1 4.03Å; W46-V90 HydrophobicContact CZ3-CG2 4.36Å; V90-I95 HydrophobicContact CB-CG1 4.2Å; V90-I95 HydrophobicContact CG2-CG1 4.08Å; V90-L164 HydrophobicContact CB-CB 4.28Å; V90-L164 HydrophobicContact CB-CD1 4.29Å; V90-L164 HydrophobicContact CB-CD2 4.47Å; V90-L164 HydrophobicContact CG1-CB 4.1Å; V90-T165 PolarHBondContact N-O 3.27Å; V90-R167 CarbonylContact O-C 3.6Å; V90-R167 VanDerWaalsContact O-CA 3.27Å; V90-R167 WeakPolarHBondContact O-CA 3.38Å; V90-R167 VanDerWaalsContact O-CB 3.29Å; V90-R167 WeakPolarHBondContact O-CB 3.41Å; V90-R167 PolarHBondContact O-N 3.45Å; V90-V168 HydrophobicContact CG1-CG2 4.4Å; V90-V168 HydrophobicContact CG2-CG2 4.2Å; V90-V168 WeakPolarHBondContact O-CG2 3.37Å
91Y96.1Very high91Very high4 Ų419.1 Ų19.12%0.01611%0.106CC..  trans-105.6173.4176.7-60-67000110.7D93 H94 R140 R167 L258 A261 Y262Y91-D93 VanDerWaalsContact C-N 3.28Å; Y91-D93 PolarHBondContact O-N 2.71Å; Y91-H94 WeakPolarHBondContact CA-O 3.23Å; Y91-H94 WeakPolarHBondContact CB-O 3.27Å; Y91-H94 AromaticContact CD2-CD2 3.84Å; Y91-H94 AromaticContact CD2-CE1 3.42Å; Y91-H94 VanDerWaalsContact CD2-CE1 3.42Å; Y91-H94 WeakPolarHBondContact CD2-CE1 3.41Å; Y91-H94 AromaticContact CD2-NE2 3.27Å; Y91-H94 VanDerWaalsContact CD2-NE2 3.27Å; Y91-H94 WeakPolarHBondContact CD2-NE2 3.34Å; Y91-H94 AromaticContact CE2-NE2 3.73Å; Y91-H94 AromaticContact CG-CE1 3.85Å; Y91-H94 PolarHBondContact N-O 3.46Å; Y91-R140 WeakPolarHBondContact O-CD 3.47Å; Y91-R167 HydrophobicContact CD1-CB 3.48Å; Y91-R167 VanDerWaalsContact CD1-CB 3.48Å; Y91-R167 HydrophobicContact CD1-CG 4.32Å; Y91-R167 HydrophobicContact CE1-CB 3.46Å; Y91-R167 VanDerWaalsContact CE1-CB 3.46Å; Y91-R167 HydrophobicContact CE1-CG 3.82Å; Y91-R167 HydrophobicContact CG-CB 4.49Å; Y91-L258 VanDerWaalsContact OH-C 3.22Å; Y91-L258 VanDerWaalsContact OH-CA 3.24Å; Y91-L258 WeakPolarHBondContact OH-CA 3.31Å; Y91-L258 WeakPolarHBondContact OH-CB 3.27Å; Y91-L258 PolarHBondContact OH-O 3.43Å; Y91-A261 HydrophobicContact CE1-CB 3.72Å; Y91-Y262 AromaticContact CD1-CD2 3.37Å; Y91-Y262 HydrophobicContact CD1-CD2 3.37Å; Y91-Y262 AromaticContact CD1-CE2 3.61Å; Y91-Y262 HydrophobicContact CD1-CE2 3.61Å; Y91-Y262 HydrophobicContact CD1-CG 4.48Å; Y91-Y262 AromaticContact CE1-CD2 3.73Å; Y91-Y262 HydrophobicContact CE1-CD2 3.73Å; Y91-Y262 HydrophobicContact CE1-CE2 4.17Å; Y91-Y262 HydrophobicContact CG-CD2 4.43Å; Y91-Y262 HydrophobicContact CG-CE2 4.29Å
92P93.3Very high91.3Very high54 Ų5418.1 Ų18.135%0.35110%0.098SC..SBendtrans-52.7-43.1179.7-29.636.1000114.1R140 V168P92-R140 WeakPolarHBondContact O-CD 3.42Å; P92-R140 PolarHBondContact O-NH1 2.73Å; P92-V168 HydrophobicContact CB-CG1 4.41Å; P92-V168 HydrophobicContact CG-CG1 4.1Å
93D92.3Very high91.1Very high27 Ų2718.4 Ų18.414%0.14410%0.099CC..SBendtrans-111.3-15.8-171.262.6-21.7000115.3T51 T56 Y91T51-D93 WeakPolarHBondContact CG2-O 3.38Å; T51-D93 PolarHBondContact OG1-O 3.29Å; T56-D93 HydrophobicContact CG2-CB 4.02Å; Y91-D93 VanDerWaalsContact C-N 3.28Å; Y91-D93 PolarHBondContact O-N 2.71Å
94H95.8Very high90.9Very high16 Ų1617.2 Ų17.27%0.0749%0.093CC..EExtended strand (participates in β ladder)trans-152.6173.1-176.472-73.6000112.8T54 Y91 S96 Q137 C138T54-H94 WeakPolarHBondContact O-CB 3.2Å; Y91-H94 WeakPolarHBondContact CA-O 3.23Å; Y91-H94 WeakPolarHBondContact CB-O 3.27Å; Y91-H94 AromaticContact CD2-CD2 3.84Å; Y91-H94 AromaticContact CD2-CE1 3.42Å; Y91-H94 VanDerWaalsContact CD2-CE1 3.42Å; Y91-H94 WeakPolarHBondContact CD2-CE1 3.41Å; Y91-H94 AromaticContact CD2-NE2 3.27Å; Y91-H94 VanDerWaalsContact CD2-NE2 3.27Å; Y91-H94 WeakPolarHBondContact CD2-NE2 3.34Å; Y91-H94 AromaticContact CE2-NE2 3.73Å; Y91-H94 AromaticContact CG-CE1 3.85Å; Y91-H94 PolarHBondContact N-O 3.46Å; H94-S96 PolarHBondContact CD2-OG 2.82Å; H94-S96 PolarHBondContact NE2-OG 2.94Å; H94-S96 VanDerWaalsContact NE2-OG 3.15Å; H94-Q137 PolarHBondContact NE2-NE2 2.92Å; H94-C138 WeakPolarHBondContact CB-O 3.4Å
95I97.8Very high90.7Very high2 Ų216.8 Ų16.81%0.019%0.088CC..EExtended strand (participates in β ladder)trans-113.7138168.9-69.3161.4000107.2Y89 V90 I97 Y113 Q137 C138 V147 L164Y89-I95 CarbonylContact O-C 3.56Å; Y89-I95 VanDerWaalsContact O-CA 3.24Å; Y89-I95 WeakPolarHBondContact O-CA 3.49Å; V90-I95 HydrophobicContact CB-CG1 4.2Å; V90-I95 HydrophobicContact CG2-CG1 4.08Å; I95-I97 HydrophobicContact CG2-CG1 4.15Å; I95-Y113 HydrophobicContact CD1-CD1 4.36Å; I95-Y113 HydrophobicContact CD1-CE1 4.03Å; I95-Q137 CarbonylContact O-C 3.47Å; I95-Q137 WeakPolarHBondContact O-CA 3.37Å; I95-C138 HydrophobicContact CB-CB 4.26Å; I95-C138 PolarHBondContact N-O 2.96Å; I95-C138 PolarHBondContact O-N 3.2Å; I95-V147 HydrophobicContact CD1-CG1 4.22Å; I95-V147 HydrophobicContact CG2-CG1 4.39Å; I95-V147 HydrophobicContact CG2-CG2 4.35Å; I95-L164 HydrophobicContact CD1-CD1 3.93Å; I95-L164 HydrophobicContact CD1-CD2 4.1Å; I95-L164 HydrophobicContact CG1-CD1 4.47Å; I95-L164 HydrophobicContact CG1-CD2 4.12Å; I95-L164 HydrophobicContact CG2-CD2 3.62Å
96S97.2Very high90.5Very high0 Ų020.2 Ų20.20%010%0.102CC..EExtended strand (participates in β ladder)trans-114.9134.3168-64.50000109.9A88 Y89 H94 I136 Q137A88-S96 CarbonylContact C-O 3.54Å; A88-S96 WeakPolarHBondContact CA-O 3.14Å; Y89-S96 PolarHBondContact N-O 2.95Å; Y89-S96 PolarHBondContact O-N 2.94Å; H94-S96 PolarHBondContact CD2-OG 2.82Å; H94-S96 PolarHBondContact NE2-OG 2.94Å; H94-S96 VanDerWaalsContact NE2-OG 3.15Å; S96-I136 WeakPolarHBondContact CA-O 3.09Å; S96-Q137 PolarHBondContact OG-NE2 3.34Å
97I97Very high90.3Very high0 Ų021.8 Ų21.80%011%0.108CC..EExtended strand (participates in β ladder)trans-114.1122.7177.5-51175.5000107.5I85 A88 I95 L99 V135 I136 V147 V149I85-I97 HydrophobicContact CB-CG2 4.4Å; I85-I97 HydrophobicContact CD1-CG2 4.27Å; I85-I97 HydrophobicContact CG1-CG2 4.08Å; I85-I97 HydrophobicContact CG2-CG2 3.48Å; I85-I97 VanDerWaalsContact CG2-CG2 3.48Å; A88-I97 HydrophobicContact CB-CG1 4.15Å; I95-I97 HydrophobicContact CG2-CG1 4.15Å; I97-L99 HydrophobicContact CG2-CD2 4.08Å; I97-V135 WeakPolarHBondContact O-CA 3.43Å; I97-I136 HydrophobicContact CB-CG2 3.65Å; I97-I136 HydrophobicContact CD1-CG2 4.25Å; I97-I136 HydrophobicContact CG1-CG2 4.29Å; I97-I136 HydrophobicContact CG2-CG2 4.35Å; I97-I136 PolarHBondContact N-O 2.91Å; I97-I136 PolarHBondContact O-N 2.91Å; I97-V147 HydrophobicContact CD1-CB 4.02Å; I97-V147 HydrophobicContact CD1-CG2 3.75Å; I97-V147 HydrophobicContact CG1-CG2 3.89Å; I97-V149 HydrophobicContact CD1-CG1 3.8Å
98T94.8Very high90.2Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-85.5121.6170.3-51.20000108.9L86 A87 S134 L251 D255L86-T98 HydrophobicContact CB-CG2 4.03Å; L86-T98 HydrophobicContact CD2-CG2 3.98Å; L86-T98 PolarHBondContact N-O 2.96Å; A87-T98 PolarHBondContact N-O 2.84Å; A87-T98 PolarHBondContact O-N 2.97Å; T98-S134 CarbonylContact C-O 3.5Å; T98-S134 WeakPolarHBondContact CA-O 3.44Å; T98-L251 HydrophobicContact CG2-CD1 3.94Å; T98-D255 WeakPolarHBondContact CB-OD1 3.4Å; T98-D255 HydrophobicContact CG2-CB 3.91Å; T98-D255 PolarHBondContact OG1-OD1 3.17Å
99L91.9Very high90Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-93.2151.3174.1-53.1177.5000109.6I83 S84 I85 I97 L109 V130 S134 I136 V149 L251I83-L99 HydrophobicContact CG2-CD2 4.39Å; S84-L99 CarbonylContact O-C 3.6Å; S84-L99 VanDerWaalsContact O-CA 3.28Å; S84-L99 WeakPolarHBondContact O-CA 3.27Å; I85-L99 HydrophobicContact CG1-CD2 4.04Å; I97-L99 HydrophobicContact CG2-CD2 4.08Å; L99-L109 HydrophobicContact CD1-CD1 3.83Å; L99-V130 HydrophobicContact CD1-CG1 4.41Å; L99-V130 HydrophobicContact CD1-CG2 3.83Å; L99-S134 PolarHBondContact N-O 3.32Å; L99-S134 VanDerWaalsContact O-CB 3.31Å; L99-S134 WeakPolarHBondContact O-CB 3.49Å; L99-I136 HydrophobicContact CD1-CG2 4.38Å; L99-I136 HydrophobicContact CD2-CG2 4.35Å; L99-I136 HydrophobicContact CG-CG2 4.39Å; L99-V149 HydrophobicContact CD2-CG1 4.36Å; L99-V149 HydrophobicContact CD2-CG2 3.98Å; L99-L251 WeakPolarHBondContact O-CD1 3.42Å
100I85.8Confident89.9Confident17 Ų1728.4 Ų28.49%0.08714%0.135CC..SBendtrans-84.1-24.6172.2-49.4178.4000109.6S84 L86 D239 R243 W248 L251S84-I100 PolarHBondContact O-N 2.65Å; S84-I100 WeakPolarHBondContact OG-CB 2.98Å; L86-I100 HydrophobicContact CB-CD1 4.5Å; L86-I100 HydrophobicContact CB-CG1 3.86Å; I100-D239 HydrophobicContact CG2-CB 4.25Å; I100-R243 PolarHBondContact O-NH1 3.38Å; I100-R243 PolarHBondContact O-NH2 2.76Å; I100-W248 HydrophobicContact CG2-CZ3 4.46Å; I100-L251 HydrophobicContact CG2-CD2 4.14Å
101T77.8Confident89.9Confident1 Ų128.4 Ų28.41%0.00614%0.135CC..  trans-59.1144.7-17943.60000114E82 I83 S104 S134E82-T101 WeakPolarHBondContact O-CG2 3.43Å; I83-T101 HydrophobicContact CB-CG2 4.23Å; I83-T101 HydrophobicContact CG1-CG2 4.11Å; T101-S104 PolarHBondContact OG1-OG 2.79Å; T101-S134 PolarHBondContact O-OG 3.2Å
102Q73.3Confident90Very high23 Ų2329 Ų2911%0.10714%0.137CC..SBendtrans-109.1165169.8-80.1-174.6-18.700111.2H78 T81 S104 E133 A247H78-Q102 PolarHBondContact CD2-OE1 3.01Å; T81-Q102 PolarHBondContact OG1-N 3.43Å; T81-Q102 PolarHBondContact OG1-O 3.44Å; Q102-S104 PolarHBondContact O-N 3.04Å; Q102-E133 VanDerWaalsContact C-OE1 3.29Å; Q102-E133 WeakPolarHBondContact CA-OE1 3.36Å; Q102-A247 VanDerWaalsContact NE2-CA 3.27Å; Q102-A247 PolarHBondContact NE2-O 3.49Å
103H74.4Confident90.2Very high112 Ų11226.4 Ų26.452%0.51912%0.12SC..SBendtrans56.433.6-176-161.673.6000112.7N76 E133N76-H103 PolarHBondContact OD1-CE1 3.08Å; N76-H103 VanDerWaalsContact OD1-CE1 3.31Å; N76-H103 PolarHBondContact OD1-ND1 2.86Å; H103-E133 WeakPolarHBondContact CA-OE1 3.45Å; H103-E133 PolarHBondContact N-OE1 3.12Å
104S79.4Confident90.3Very high5 Ų526.1 Ų26.14%0.03512%0.117CC..  trans-102.42.4177.9-67.30000112.2T101 Q102 K106 K107 V130 E133T101-S104 PolarHBondContact OG1-OG 2.79Å; Q102-S104 PolarHBondContact O-N 3.04Å; S104-K106 PolarHBondContact O-N 3.02Å; S104-K107 WeakPolarHBondContact O-CB 3.41Å; S104-K107 PolarHBondContact O-N 3.12Å; S104-V130 WeakPolarHBondContact O-CB 3.24Å; S104-V130 WeakPolarHBondContact O-CG1 3.44Å; S104-E133 PolarHBondContact N-OE1 2.95Å
105I83.8Confident90.3Very high24 Ų2426.4 Ų26.412%0.12312%0.119CC..THydrogen-bonded Turntrans-49.1135.3175.3-76.6170.3000111.1Y71 K107 E133Y71-I105 HydrophobicContact CD1-CD1 3.72Å; Y71-I105 HydrophobicContact CE1-CD1 3.26Å; I105-K107 PolarHBondContact O-N 3.13Å; I105-E133 HydrophobicContact CD1-CB 3.88Å; I105-E133 HydrophobicContact CD1-CG 4.47Å; I105-E133 WeakPolarHBondContact CD1-OE2 3.36Å; I105-E133 HydrophobicContact CG1-CB 3.98Å; I105-E133 WeakPolarHBondContact CG1-OE2 3.27Å
106K87.3Confident90.1Very high90 Ų9028.4 Ų28.439%0.39113%0.133SC..THydrogen-bonded Turntrans65.5-3.5-178.6-64.1161.7-179.4172.90114.7I68 Y71 S104 Q108 V130I68-K106 HydrophobicContact CG2-CG 4.24Å; I68-K106 WeakPolarHBondContact O-CE 3.41Å; I68-K106 PolarHBondContact O-NZ 2.88Å; Y71-K106 PolarHBondContact O-NZ 2.86Å; S104-K106 PolarHBondContact O-N 3.02Å; K106-Q108 PolarHBondContact O-N 2.87Å; K106-Q108 PolarHBondContact O-NE2 3.48Å; K106-V130 PolarHBondContact N-O 2.97Å
107K89.4Confident89.9Confident73 Ų7333.1 Ų33.132%0.31715%0.154SC..  trans-61.3136.8169.8-167.1171-176.7173.50109S104 I105 L109 V130 E151S104-K107 WeakPolarHBondContact O-CB 3.41Å; S104-K107 PolarHBondContact O-N 3.12Å; I105-K107 PolarHBondContact O-N 3.13Å; K107-L109 HydrophobicContact CD-CD2 4.37Å; K107-L109 HydrophobicContact CG-CD2 4.36Å; K107-V130 HydrophobicContact CB-CG2 4.41Å; K107-V130 PolarHBondContact O-N 2.73Å; K107-E151 WeakPolarHBondContact CE-OE1 3.28Å; K107-E151 IonicContact NZ-OE1 2.65Å; K107-E151 PolarHBondContact NZ-OE1 2.77Å
108Q92.9Very high89.8Confident87 Ų8739.3 Ų39.341%0.40718%0.177SC..EExtended strand (participates in β ladder)trans-92.2128.6176-60.7-61.5-51.200108.7K106 L127 G128 T129K106-Q108 PolarHBondContact O-N 2.87Å; K106-Q108 PolarHBondContact O-NE2 3.48Å; Q108-L127 HydrophobicContact CB-CD1 3.83Å; Q108-L127 HydrophobicContact CB-CG 4.39Å; Q108-G128 WeakPolarHBondContact CA-O 3.48Å; Q108-G128 PolarHBondContact OE1-O 3.3Å; Q108-T129 PolarHBondContact NE2-OG1 2.72Å; Q108-T129 PolarHBondContact OE1-OG1 2.98Å
109L94.4Very high89.7Confident0 Ų043.4 Ų43.40%020%0.199CC..EExtended strand (participates in β ladder)trans-134.5145.6175.1-59.3174.2000109.3I83 L99 K107 G128 V130 I136 V149 S150 E151I83-L109 HydrophobicContact CD1-CD1 4.03Å; I83-L109 HydrophobicContact CD1-CD2 3.44Å; I83-L109 VanDerWaalsContact CD1-CD2 3.44Å; I83-L109 HydrophobicContact CD1-CG 4.4Å; I83-L109 HydrophobicContact CG2-CD1 4.33Å; L99-L109 HydrophobicContact CD1-CD1 3.83Å; K107-L109 HydrophobicContact CD-CD2 4.37Å; K107-L109 HydrophobicContact CG-CD2 4.36Å; L109-G128 PolarHBondContact N-O 2.93Å; L109-G128 PolarHBondContact O-N 2.73Å; L109-V130 HydrophobicContact CD1-CG2 3.75Å; L109-V130 HydrophobicContact CG-CG2 4.23Å; L109-I136 HydrophobicContact CB-CD1 3.79Å; L109-V149 HydrophobicContact CB-CB 4.41Å; L109-V149 HydrophobicContact CD1-CB 4.41Å; L109-V149 HydrophobicContact CD1-CG2 4.31Å; L109-S150 CarbonylContact C-O 3.57Å; L109-E151 HydrophobicContact CD2-CB 4.5Å; L109-E151 HydrophobicContact CD2-CG 3.68Å
110Y96.3Very high89.8Confident61 Ų6145.9 Ų45.924%0.23921%0.211CC..EExtended strand (participates in β ladder)trans-82.5120.9172.3-66.8-83.9000109.8W126 L127 V149 S150 L153Y110-W126 CarbonylContact C-O 3.47Å; Y110-W126 VanDerWaalsContact CA-O 3.28Å; Y110-W126 WeakPolarHBondContact CA-O 3.31Å; Y110-L127 HydrophobicContact CD1-CB 4.16Å; Y110-L127 HydrophobicContact CD1-CD1 4.02Å; Y110-L127 HydrophobicContact CD2-CD1 4.17Å; Y110-L127 HydrophobicContact CE1-CB 3.95Å; Y110-L127 HydrophobicContact CE1-CD1 3.81Å; Y110-L127 HydrophobicContact CE1-CG 4.36Å; Y110-L127 HydrophobicContact CE2-CD1 3.96Å; Y110-L127 HydrophobicContact CG-CD1 4.2Å; Y110-V149 CarbonylContact O-C 3.48Å; Y110-V149 WeakPolarHBondContact O-CA 3.34Å; Y110-S150 PolarHBondContact N-O 3.02Å; Y110-S150 PolarHBondContact O-N 2.93Å; Y110-L153 HydrophobicContact CD1-CB 4.14Å; Y110-L153 HydrophobicContact CD1-CD1 3.99Å; Y110-L153 HydrophobicContact CD2-CB 4.21Å; Y110-L153 HydrophobicContact CE1-CB 3.89Å; Y110-L153 HydrophobicContact CE1-CD1 4.26Å; Y110-L153 HydrophobicContact CE1-CD2 4.3Å; Y110-L153 HydrophobicContact CE1-CG 4.38Å; Y110-L153 HydrophobicContact CE2-CB 3.97Å; Y110-L153 HydrophobicContact CG-CB 4.29Å; Y110-L153 HydrophobicContact CG-CD1 4.48Å
111C97.4Very high90.1Very high0 Ų046.2 Ų46.20%021%0.212CC..EExtended strand (participates in β ladder)trans-68.9126.7162.8-50.10000108.7Y113 A125 W126 C138C111-Y113 HydrophobicContact CB-CE2 3.97Å; C111-Y113 WeakPolarHBondContact O-CE2 3.39Å; C111-A125 VanDerWaalsContact O-CA 3.29Å; C111-A125 WeakPolarHBondContact O-CA 3.1Å; C111-W126 HydrophobicContact CB-CB 4.28Å; C111-W126 PolarHBondContact N-O 3.18Å; C111-W126 PolarHBondContact O-N 3.31Å; C111-W126 VanDerWaalsContact O-N 3.1Å; C111-C138 HydrophobicContact CB-CB 3.68Å; C111-C138 WeakPolarHBondContact CB-SG 3.36Å; C111-C138 WeakPolarHBondContact SG-CB 3.22Å; C111-C138 CovalentContact SG-SG 2.03Å; C111-C138 PolarHBondContact SG-SG 3.49Å
112R97Very high90.7Very high17 Ų1757.5 Ų57.56%0.06426%0.255CS..EExtended strand (participates in β ladder)trans-115.4133.1179.8-54.4-73.4-90.6170.2-8.8108Y114 E120 V147 S148 L153 K155R112-Y114 HydrophobicContact CB-CE2 3.79Å; R112-E120 IonicContact CZ-OE1 3.27Å; R112-E120 IonicContact CZ-OE2 2.78Å; R112-E120 IonicContact NE-OE1 2.67Å; R112-E120 PolarHBondContact NE-OE1 3.38Å; R112-E120 IonicContact NE-OE2 3.69Å; R112-E120 IonicContact NH1-OE1 3.17Å; R112-E120 PolarHBondContact NH1-OE1 2.89Å; R112-E120 IonicContact NH1-OE2 3.12Å; R112-E120 IonicContact NH2-OE1 3.27Å; R112-E120 PolarHBondContact NH2-OE1 3.18Å; R112-E120 IonicContact NH2-OE2 3.6Å; R112-E120 PolarHBondContact NH2-OE2 2.8Å; R112-V147 CarbonylContact O-C 3.41Å; R112-V147 VanDerWaalsContact O-CA 3.27Å; R112-V147 WeakPolarHBondContact O-CA 3.35Å; R112-S148 PolarHBondContact N-O 3.2Å; R112-S148 PolarHBondContact O-N 2.85Å; R112-L153 PolarHBondContact NH1-O 3.06Å; R112-K155 PolarHBondContact NH2-O 3.31Å
113Y97.4Very high91.5Very high0 Ų060.6 Ų60.60%029%0.292CS..EExtended strand (participates in β ladder)trans-117.6141-171.8-53.5-97.7000110.3I95 C111 E120 I121 S124 W126 C138 P139 R141 A144 V147I95-Y113 HydrophobicContact CD1-CD1 4.36Å; I95-Y113 HydrophobicContact CD1-CE1 4.03Å; C111-Y113 HydrophobicContact CB-CE2 3.97Å; C111-Y113 WeakPolarHBondContact O-CE2 3.39Å; Y113-E120 WeakPolarHBondContact O-CA 3.38Å; Y113-E120 WeakPolarHBondContact O-CG 3.43Å; Y113-I121 PolarHBondContact O-N 3.14Å; Y113-S124 WeakPolarHBondContact CD2-O 3.41Å; Y113-S124 WeakPolarHBondContact CD2-OG 3.24Å; Y113-S124 WeakPolarHBondContact CE2-O 3.4Å; Y113-W126 HydrophobicContact CE2-CB 4.32Å; Y113-C138 HydrophobicContact CE1-CB 4.44Å; Y113-C138 WeakPolarHBondContact OH-CB 3.35Å; Y113-P139 VanDerWaalsContact CE1-O 3.28Å; Y113-P139 WeakPolarHBondContact CE1-O 3.42Å; Y113-P139 WeakPolarHBondContact OH-CD 3.27Å; Y113-P139 PolarHBondContact OH-O 2.8Å; Y113-R141 HydrophobicContact CD1-CB 3.91Å; Y113-R141 HydrophobicContact CD1-CG 3.6Å; Y113-R141 HydrophobicContact CD2-CG 3.75Å; Y113-R141 HydrophobicContact CE1-CB 4.29Å; Y113-R141 HydrophobicContact CE1-CG 3.61Å; Y113-R141 HydrophobicContact CE2-CG 3.77Å; Y113-R141 HydrophobicContact CG-CB 4.08Å; Y113-R141 HydrophobicContact CG-CG 3.67Å; Y113-A144 HydrophobicContact CD1-CB 4.07Å; Y113-V147 HydrophobicContact CD1-CG1 3.83Å; Y113-V147 HydrophobicContact CE1-CG1 4.3Å
114Y96.3Very high92.5Very high20 Ų2055.7 Ų55.78%0.07827%0.271CS..EExtended strand (participates in β ladder)trans-133.4144.6-176.7-53.5-104.6000110.9R112 R118 N119 E120 A144 E145 F146 P161R112-Y114 HydrophobicContact CB-CE2 3.79Å; Y114-R118 WeakPolarHBondContact CD1-O 3.35Å; Y114-N119 CarbonylContact C-O 3.52Å; Y114-N119 WeakPolarHBondContact CA-O 3.45Å; Y114-E120 HydrophobicContact CD1-CB 3.95Å; Y114-E120 HydrophobicContact CD1-CG 4.42Å; Y114-E120 HydrophobicContact CE1-CB 3.79Å; Y114-E120 HydrophobicContact CE1-CG 4.12Å; Y114-A144 WeakPolarHBondContact O-CA 3.36Å; Y114-E145 PolarHBondContact O-N 2.92Å; Y114-F146 PolarHBondContact N-O 3.16Å; Y114-F146 PolarHBondContact O-N 3.04Å; Y114-F146 VanDerWaalsContact O-N 3.15Å; Y114-P161 HydrophobicContact CD1-CG 3.95Å; Y114-P161 HydrophobicContact CD2-CB 3.69Å; Y114-P161 HydrophobicContact CD2-CG 3.66Å; Y114-P161 HydrophobicContact CE1-CG 3.77Å; Y114-P161 HydrophobicContact CE2-CB 3.9Å; Y114-P161 HydrophobicContact CE2-CG 3.49Å; Y114-P161 VanDerWaalsContact CE2-CG 3.49Å; Y114-P161 HydrophobicContact CG-CB 4.11Å; Y114-P161 HydrophobicContact CG-CG 3.92Å
115D94.9Very high93.3Very high22 Ų2256.7 Ų56.712%0.11828%0.28CS..  trans-76.9-176.817971.111.8000112.8K117 R118 N119 I121 F146D115-K117 PolarHBondContact O-N 2.94Å; D115-K117 VanDerWaalsContact O-N 3.09Å; D115-K117 WeakPolarHBondContact OD1-CA 3.08Å; D115-K117 WeakPolarHBondContact OD1-CB 3.15Å; D115-K117 PolarHBondContact OD1-N 2.82Å; D115-R118 WeakPolarHBondContact O-CA 3.47Å; D115-R118 PolarHBondContact O-N 3.17Å; D115-R118 PolarHBondContact OD1-N 3.37Å; D115-R118 VanDerWaalsContact OD1-N 3.07Å; D115-N119 PolarHBondContact N-O 2.84Å; D115-N119 PolarHBondContact OD1-N 3.04Å; D115-I121 HydrophobicContact CB-CG1 4.4Å; D115-F146 WeakPolarHBondContact O-CD2 3.44Å
116C93.4Very high93.9Very high45 Ų4559.6 Ų59.630%0.30429%0.289SS..THydrogen-bonded Turntrans-59-20.4178.581.10000114.6C41 E145C41-C116 VanDerWaalsContact CA-SG 3.59Å; C41-C116 HydrophobicContact CB-CB 3.85Å; C41-C116 WeakPolarHBondContact CB-SG 3.28Å; C41-C116 WeakPolarHBondContact SG-CB 3.5Å; C41-C116 PolarHBondContact SG-N 3.5Å; C41-C116 VanDerWaalsContact SG-N 3.39Å; C41-C116 CovalentContact SG-SG 2.04Å; C41-C116 PolarHBondContact SG-SG 3.44Å; C116-E145 VanDerWaalsContact CA-OE2 3.25Å; C116-E145 WeakPolarHBondContact CA-OE2 3.17Å; C116-E145 HydrophobicContact CB-CG 4.37Å; C116-E145 WeakPolarHBondContact CB-OE1 3.25Å; C116-E145 VanDerWaalsContact CB-OE2 3.24Å; C116-E145 WeakPolarHBondContact CB-OE2 3.45Å
117K93.9Very high94.3Very high99 Ų9959 Ų5943%0.4329%0.29SS..THydrogen-bonded Turntrans-98.47.2176.9-64.4-173.4-177-168.70112.4D115 N119D115-K117 PolarHBondContact O-N 2.94Å; D115-K117 VanDerWaalsContact O-N 3.09Å; D115-K117 WeakPolarHBondContact OD1-CA 3.08Å; D115-K117 WeakPolarHBondContact OD1-CB 3.15Å; D115-K117 PolarHBondContact OD1-N 2.82Å; K117-N119 WeakPolarHBondContact CB-ND2 3.4Å; K117-N119 PolarHBondContact O-N 2.84Å
118R93.9Very high94.5Very high129 Ų12955.7 Ų55.749%0.48728%0.276SS..  trans61.926.5-175.4-56172.7173.2-93.23.3113.2Y114 D115 F146 P161Y114-R118 WeakPolarHBondContact CD1-O 3.35Å; D115-R118 WeakPolarHBondContact O-CA 3.47Å; D115-R118 PolarHBondContact O-N 3.17Å; D115-R118 PolarHBondContact OD1-N 3.37Å; D115-R118 VanDerWaalsContact OD1-N 3.07Å; R118-F146 HydrophobicContact CG-CD2 3.95Å; R118-F146 HydrophobicContact CG-CE2 3.92Å; R118-F146 HydrophobicContact CG-CG 4.33Å; R118-F146 HydrophobicContact CG-CZ 4.26Å; R118-P161 PolarHBondContact NH1-O 3.38Å
119N93.3Very high94.5Very high86 Ų8653.7 Ų53.746%0.4627%0.27SS..  trans-85.4138.5169.2-57.5-56.1000109.6Y114 D115 K117 I121Y114-N119 CarbonylContact C-O 3.52Å; Y114-N119 WeakPolarHBondContact CA-O 3.45Å; D115-N119 PolarHBondContact N-O 2.84Å; D115-N119 PolarHBondContact OD1-N 3.04Å; K117-N119 WeakPolarHBondContact CB-ND2 3.4Å; K117-N119 PolarHBondContact O-N 2.84Å; N119-I121 PolarHBondContact O-N 3.45Å
120E93.3Very high94.4Very high53 Ų5353.7 Ų53.725%0.24827%0.27CS..BIsolated β-bridgetrans-65.7129.2177.9-163.1-171.9154.800110.8R112 Y113 Y114 R122R112-E120 IonicContact CZ-OE1 3.27Å; R112-E120 IonicContact CZ-OE2 2.78Å; R112-E120 IonicContact NE-OE1 2.67Å; R112-E120 PolarHBondContact NE-OE1 3.38Å; R112-E120 IonicContact NE-OE2 3.69Å; R112-E120 IonicContact NH1-OE1 3.17Å; R112-E120 PolarHBondContact NH1-OE1 2.89Å; R112-E120 IonicContact NH1-OE2 3.12Å; R112-E120 IonicContact NH2-OE1 3.27Å; R112-E120 PolarHBondContact NH2-OE1 3.18Å; R112-E120 IonicContact NH2-OE2 3.6Å; R112-E120 PolarHBondContact NH2-OE2 2.8Å; Y113-E120 WeakPolarHBondContact O-CA 3.38Å; Y113-E120 WeakPolarHBondContact O-CG 3.43Å; Y114-E120 HydrophobicContact CD1-CB 3.95Å; Y114-E120 HydrophobicContact CD1-CG 4.42Å; Y114-E120 HydrophobicContact CE1-CB 3.79Å; Y114-E120 HydrophobicContact CE1-CG 4.12Å; E120-R122 PolarHBondContact O-N 2.82Å; E120-R122 VanDerWaalsContact O-N 3.12Å
121I93.1Very high94.1Very high24 Ų2451.5 Ų51.512%0.12326%0.262CS..  trans-73.9103.9174.5-55.9174.3000107.6Y113 D115 N119 S124 A144Y113-I121 PolarHBondContact O-N 3.14Å; D115-I121 HydrophobicContact CB-CG1 4.4Å; N119-I121 PolarHBondContact O-N 3.45Å; I121-S124 VanDerWaalsContact O-CB 3.25Å; I121-S124 WeakPolarHBondContact O-CB 3.47Å; I121-S124 PolarHBondContact O-N 2.61Å; I121-S124 PolarHBondContact O-OG 3.4Å; I121-A144 HydrophobicContact CD1-CB 4.08Å
122R90.3Very high93.6Very high238 Ų23852.1 Ų52.190%0.89827%0.266SS*.THydrogen-bonded Turntrans-58.9138.6-174-66-175.6178.7173.9-0.2112.4E120 S124E120-R122 PolarHBondContact O-N 2.82Å; E120-R122 VanDerWaalsContact O-N 3.12Å; R122-S124 PolarHBondContact O-N 3.32Å
123G90.5Very high93Very high87 Ų8753.1 Ų53.190%0.89727%0.271SS*.THydrogen-bonded Turntrans70.64.3177.800000114.9
124S94.2Very high92.5Very high9 Ų953.2 Ų53.26%0.06327%0.272CS..  trans-87.6-12.2-177.470.90000114.3Y113 I121 R122 R141Y113-S124 WeakPolarHBondContact CD2-O 3.41Å; Y113-S124 WeakPolarHBondContact CD2-OG 3.24Å; Y113-S124 WeakPolarHBondContact CE2-O 3.4Å; I121-S124 VanDerWaalsContact O-CB 3.25Å; I121-S124 WeakPolarHBondContact O-CB 3.47Å; I121-S124 PolarHBondContact O-N 2.61Å; I121-S124 PolarHBondContact O-OG 3.4Å; R122-S124 PolarHBondContact O-N 3.32Å; S124-R141 PolarHBondContact O-NE 2.88Å
125A95.7Very high92.3Very high27 Ų2752.4 Ų52.422%0.22327%0.269CS..  trans-55.6147.4-173.400000112.6C111 L153C111-A125 VanDerWaalsContact O-CA 3.29Å; C111-A125 WeakPolarHBondContact O-CA 3.1Å; A125-L153 HydrophobicContact CB-CD1 3.42Å; A125-L153 VanDerWaalsContact CB-CD1 3.42Å
126W96.6Very high92.3Very high84 Ų8451.3 Ų51.332%0.31826%0.263SS..EExtended strand (participates in β ladder)trans-137.6129.4-175.9175.9-94.6000111.3Q52 Y110 C111 Y113 G128 P139Q52-W126 WeakPolarHBondContact O-CH2 3.15Å; Y110-W126 CarbonylContact C-O 3.47Å; Y110-W126 VanDerWaalsContact CA-O 3.28Å; Y110-W126 WeakPolarHBondContact CA-O 3.31Å; C111-W126 HydrophobicContact CB-CB 4.28Å; C111-W126 PolarHBondContact N-O 3.18Å; C111-W126 PolarHBondContact O-N 3.31Å; C111-W126 VanDerWaalsContact O-N 3.1Å; Y113-W126 HydrophobicContact CE2-CB 4.32Å; W126-G128 PolarHBondContact O-N 3.27Å; W126-P139 HydrophobicContact CB-CG 4.02Å; W126-P139 HydrophobicContact CD2-CG 3.63Å; W126-P139 HydrophobicContact CE3-CG 4.02Å; W126-P139 HydrophobicContact CG-CG 3.61Å
127L96.3Very high92.4Very high78 Ų7850.8 Ų50.841%0.40826%0.256SS..EExtended strand (participates in β ladder)trans-78.6106.8174.4-171.361.4000110Q108 Y110Q108-L127 HydrophobicContact CB-CD1 3.83Å; Q108-L127 HydrophobicContact CB-CG 4.39Å; Y110-L127 HydrophobicContact CD1-CB 4.16Å; Y110-L127 HydrophobicContact CD1-CD1 4.02Å; Y110-L127 HydrophobicContact CD2-CD1 4.17Å; Y110-L127 HydrophobicContact CE1-CB 3.95Å; Y110-L127 HydrophobicContact CE1-CD1 3.81Å; Y110-L127 HydrophobicContact CE1-CG 4.36Å; Y110-L127 HydrophobicContact CE2-CD1 3.96Å; Y110-L127 HydrophobicContact CG-CD1 4.2Å
128G93.8Very high92.5Very high3 Ų346 Ų463%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-102.5162.3175.700000112.3Q108 L109 W126Q108-G128 WeakPolarHBondContact CA-O 3.48Å; Q108-G128 PolarHBondContact OE1-O 3.3Å; L109-G128 PolarHBondContact N-O 2.93Å; L109-G128 PolarHBondContact O-N 2.73Å; W126-G128 PolarHBondContact O-N 3.27Å
129T93Very high92.7Very high46 Ų4639.9 Ų39.928%0.28221%0.212SC..EExtended strand (participates in β ladder)trans-109.7132173.5-57.20000108.9Q108 F131Q108-T129 PolarHBondContact NE2-OG1 2.72Å; Q108-T129 PolarHBondContact OE1-OG1 2.98Å; T129-F131 PolarHBondContact O-N 2.83Å; T129-F131 VanDerWaalsContact O-N 3.17Å
130V92.1Very high92.8Very high0 Ų036 Ų360%019%0.191CC..BIsolated β-bridgetrans-70.1111.3173176.30000109.2L99 S104 K106 K107 L109 V135 I136L99-V130 HydrophobicContact CD1-CG1 4.41Å; L99-V130 HydrophobicContact CD1-CG2 3.83Å; S104-V130 WeakPolarHBondContact O-CB 3.24Å; S104-V130 WeakPolarHBondContact O-CG1 3.44Å; K106-V130 PolarHBondContact N-O 2.97Å; K107-V130 HydrophobicContact CB-CG2 4.41Å; K107-V130 PolarHBondContact O-N 2.73Å; L109-V130 HydrophobicContact CD1-CG2 3.75Å; L109-V130 HydrophobicContact CG-CG2 4.23Å; V130-V135 CarbonylContact C-O 3.6Å; V130-V135 VanDerWaalsContact CA-O 3.25Å; V130-V135 WeakPolarHBondContact CA-O 3.32Å; V130-I136 HydrophobicContact CG2-CB 4.37Å
131F89.7Confident93Very high14 Ų1434.7 Ų34.76%0.06118%0.184CC..  trans-167.5131.5175.3-169.6-99.4000111.3W67 I68 Y71 T129 V135 L353W67-F131 HydrophobicContact CB-CE1 3.67Å; W67-F131 HydrophobicContact CB-CZ 3.55Å; I68-F131 HydrophobicContact CB-CD2 4.42Å; I68-F131 HydrophobicContact CB-CG 4.48Å; I68-F131 HydrophobicContact CD1-CB 4.16Å; I68-F131 HydrophobicContact CD1-CD1 4.12Å; I68-F131 HydrophobicContact CD1-CG 4.15Å; I68-F131 HydrophobicContact CG1-CB 3.78Å; I68-F131 HydrophobicContact CG1-CD1 3.41Å; I68-F131 VanDerWaalsContact CG1-CD1 3.41Å; I68-F131 HydrophobicContact CG1-CD2 3.69Å; I68-F131 HydrophobicContact CG1-CE1 3.81Å; I68-F131 HydrophobicContact CG1-CE2 4.08Å; I68-F131 HydrophobicContact CG1-CG 3.32Å; I68-F131 HydrophobicContact CG1-CZ 4.12Å; Y71-F131 HydrophobicContact CD2-CE2 4.19Å; Y71-F131 HydrophobicContact CD2-CZ 4.42Å; Y71-F131 AromaticContact CG-CE2 3.93Å; Y71-F131 HydrophobicContact CG-CE2 3.93Å; T129-F131 PolarHBondContact O-N 2.83Å; T129-F131 VanDerWaalsContact O-N 3.17Å; F131-V135 CarbonylContact C-O 3.33Å; F131-V135 PolarHBondContact N-O 2.64Å; F131-L353 HydrophobicContact CD1-CD2 4.5Å; F131-L353 HydrophobicContact CE1-CD1 4.14Å; F131-L353 HydrophobicContact CE1-CD2 3.79Å; F131-L353 HydrophobicContact CE1-CG 4.33Å; F131-L353 HydrophobicContact CZ-CD1 3.78Å; F131-L353 HydrophobicContact CZ-CD2 3.89Å; F131-L353 HydrophobicContact CZ-CG 4.38Å
132P86.3Confident93.1Very high13 Ų1334.9 Ų34.98%0.08419%0.185CC..SBendcis-53-177.3-11.511-22.5000115S134 V135 L353P132-S134 PolarHBondContact O-N 3.35Å; P132-V135 HydrophobicContact CG-CB 4.01Å; P132-V135 HydrophobicContact CG-CG2 4.01Å; P132-V135 PolarHBondContact O-N 2.87Å; P132-L353 HydrophobicContact CB-CD2 3.44Å; P132-L353 VanDerWaalsContact CB-CD2 3.44Å; P132-L353 HydrophobicContact CG-CD2 3.76Å
133E84.3Confident93.3Very high38 Ų3823.7 Ų23.718%0.17814%0.144CC..THydrogen-bonded Turntrans-43.7133166.6-169.960.8-11900110Q102 H103 S104 I105 V135Q102-E133 VanDerWaalsContact C-OE1 3.29Å; Q102-E133 WeakPolarHBondContact CA-OE1 3.36Å; H103-E133 WeakPolarHBondContact CA-OE1 3.45Å; H103-E133 PolarHBondContact N-OE1 3.12Å; S104-E133 PolarHBondContact N-OE1 2.95Å; I105-E133 HydrophobicContact CD1-CB 3.88Å; I105-E133 HydrophobicContact CD1-CG 4.47Å; I105-E133 WeakPolarHBondContact CD1-OE2 3.36Å; I105-E133 HydrophobicContact CG1-CB 3.98Å; I105-E133 WeakPolarHBondContact CG1-OE2 3.27Å; E133-V135 PolarHBondContact O-N 3.17Å; E133-V135 VanDerWaalsContact O-N 3.16Å
134S87Confident93.6Very high3 Ų319.6 Ų19.62%0.02110%0.101CC..THydrogen-bonded Turntrans62.815177.8-52.80000116.3T98 L99 T101 P132T98-S134 CarbonylContact C-O 3.5Å; T98-S134 WeakPolarHBondContact CA-O 3.44Å; L99-S134 PolarHBondContact N-O 3.32Å; L99-S134 VanDerWaalsContact O-CB 3.31Å; L99-S134 WeakPolarHBondContact O-CB 3.49Å; T101-S134 PolarHBondContact O-OG 3.2Å; P132-S134 PolarHBondContact O-N 3.35Å
135V92.6Very high93.7Very high2 Ų222.3 Ų22.31%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-126.6135177176.40000110.9I97 V130 F131 P132 E133 Q137 Q254 L258I97-V135 WeakPolarHBondContact O-CA 3.43Å; V130-V135 CarbonylContact C-O 3.6Å; V130-V135 VanDerWaalsContact CA-O 3.25Å; V130-V135 WeakPolarHBondContact CA-O 3.32Å; F131-V135 CarbonylContact C-O 3.33Å; F131-V135 PolarHBondContact N-O 2.64Å; P132-V135 HydrophobicContact CG-CB 4.01Å; P132-V135 HydrophobicContact CG-CG2 4.01Å; P132-V135 PolarHBondContact O-N 2.87Å; E133-V135 PolarHBondContact O-N 3.17Å; E133-V135 VanDerWaalsContact O-N 3.16Å; V135-Q137 HydrophobicContact CG1-CG 4.44Å; V135-Q254 HydrophobicContact CG2-CB 3.97Å; V135-L258 HydrophobicContact CB-CD1 4.46Å; V135-L258 HydrophobicContact CG1-CD1 3.81Å; V135-L258 HydrophobicContact CG2-CD1 3.77Å
136I94.9Very high93.8Very high0 Ų022.5 Ų22.50%011%0.109CC..EExtended strand (participates in β ladder)trans-125132.3168.6-177.4168.6000110.2S96 I97 L99 L109 V130 V149S96-I136 WeakPolarHBondContact CA-O 3.09Å; I97-I136 HydrophobicContact CB-CG2 3.65Å; I97-I136 HydrophobicContact CD1-CG2 4.25Å; I97-I136 HydrophobicContact CG1-CG2 4.29Å; I97-I136 HydrophobicContact CG2-CG2 4.35Å; I97-I136 PolarHBondContact N-O 2.91Å; I97-I136 PolarHBondContact O-N 2.91Å; L99-I136 HydrophobicContact CD1-CG2 4.38Å; L99-I136 HydrophobicContact CD2-CG2 4.35Å; L99-I136 HydrophobicContact CG-CG2 4.39Å; L109-I136 HydrophobicContact CB-CD1 3.79Å; V130-I136 HydrophobicContact CG2-CB 4.37Å; I136-V149 HydrophobicContact CG2-CG1 4.01Å
137Q95.4Very high93.8Very high33 Ų3318.5 Ų18.515%0.1549%0.094CC..EExtended strand (participates in β ladder)trans-101.9135.5176.3-62.2-168.7-37.400110.5T54 H94 I95 S96 V135T54-Q137 HydrophobicContact CG2-CB 3.89Å; T54-Q137 WeakPolarHBondContact CG2-O 3.38Å; H94-Q137 PolarHBondContact NE2-NE2 2.92Å; I95-Q137 CarbonylContact O-C 3.47Å; I95-Q137 WeakPolarHBondContact O-CA 3.37Å; S96-Q137 PolarHBondContact OG-NE2 3.34Å; V135-Q137 HydrophobicContact CG1-CG 4.44Å
138C96.8Very high93.8Very high0 Ų014.8 Ų14.80%07%0.074CC..EExtended strand (participates in β ladder)trans-129142.2-173.5-560000108.6H94 I95 C111 Y113H94-C138 WeakPolarHBondContact CB-O 3.4Å; I95-C138 HydrophobicContact CB-CB 4.26Å; I95-C138 PolarHBondContact N-O 2.96Å; I95-C138 PolarHBondContact O-N 3.2Å; C111-C138 HydrophobicContact CB-CB 3.68Å; C111-C138 WeakPolarHBondContact CB-SG 3.36Å; C111-C138 WeakPolarHBondContact SG-CB 3.22Å; C111-C138 CovalentContact SG-SG 2.03Å; C111-C138 PolarHBondContact SG-SG 3.49Å; Y113-C138 HydrophobicContact CE1-CB 4.44Å; Y113-C138 WeakPolarHBondContact OH-CB 3.35Å
139P97.1Very high93.9Very high0 Ų014.6 Ų14.60%07%0.073CC..EExtended strand (participates in β ladder)trans-65.9165.5170.828.9-36.1000111.8T51 Y113 W126 R141T51-P139 VanDerWaalsContact O-CB 3.22Å; T51-P139 WeakPolarHBondContact O-CB 3.46Å; T51-P139 WeakPolarHBondContact OG1-CA 3.48Å; T51-P139 WeakPolarHBondContact OG1-CB 3.39Å; Y113-P139 VanDerWaalsContact CE1-O 3.28Å; Y113-P139 WeakPolarHBondContact CE1-O 3.42Å; Y113-P139 WeakPolarHBondContact OH-CD 3.27Å; Y113-P139 PolarHBondContact OH-O 2.8Å; W126-P139 HydrophobicContact CB-CG 4.02Å; W126-P139 HydrophobicContact CD2-CG 3.63Å; W126-P139 HydrophobicContact CE3-CG 4.02Å; W126-P139 HydrophobicContact CG-CG 3.61Å; P139-R141 VanDerWaalsContact CG-NH1 3.35Å; P139-R141 VanDerWaalsContact CG-NH2 3.33Å
140R97.1Very high94Very high5 Ų512.9 Ų12.92%0.0196%0.063CC..  trans-80.1149.3176.2-58.6-168.667.2-165.9-6111.1W46 V49 N50 T51 Y91 P92W46-R140 PolarHBondContact O-NH1 3.06Å; W46-R140 PolarHBondContact O-NH2 2.95Å; V49-R140 HydrophobicContact CG1-CB 4.32Å; N50-R140 PolarHBondContact OD1-O 2.91Å; T51-R140 HydrophobicContact CG2-CB 4.24Å; T51-R140 HydrophobicContact CG2-CG 4.37Å; T51-R140 PolarHBondContact N-O 2.93Å; T51-R140 VanDerWaalsContact N-O 3.12Å; T51-R140 PolarHBondContact OG1-N 2.81Å; Y91-R140 WeakPolarHBondContact O-CD 3.47Å; P92-R140 WeakPolarHBondContact O-CD 3.42Å; P92-R140 PolarHBondContact O-NH1 2.73Å
141R96.6Very high93.9Very high25 Ų2518.9 Ų18.99%0.0949%0.09CC..  trans-132.9134.5175.1-62.6-66.3179-105.25.6108.8V49 N50 T51 Y113 S124 P139 G143 A144V49-R141 CarbonylContact O-C 3.53Å; N50-R141 PolarHBondContact OD1-NH1 3.48Å; T51-R141 PolarHBondContact O-NH1 2.79Å; Y113-R141 HydrophobicContact CD1-CB 3.91Å; Y113-R141 HydrophobicContact CD1-CG 3.6Å; Y113-R141 HydrophobicContact CD2-CG 3.75Å; Y113-R141 HydrophobicContact CE1-CB 4.29Å; Y113-R141 HydrophobicContact CE1-CG 3.61Å; Y113-R141 HydrophobicContact CE2-CG 3.77Å; Y113-R141 HydrophobicContact CG-CB 4.08Å; Y113-R141 HydrophobicContact CG-CG 3.67Å; S124-R141 PolarHBondContact O-NE 2.88Å; P139-R141 VanDerWaalsContact CG-NH1 3.35Å; P139-R141 VanDerWaalsContact CG-NH2 3.33Å; R141-G143 PolarHBondContact O-N 3.17Å; R141-A144 HydrophobicContact CB-CB 4.22Å; R141-A144 WeakPolarHBondContact O-CB 3.45Å; R141-A144 PolarHBondContact O-N 2.63Å
142I95Very high93.9Very high28 Ų2822 Ų2214%0.14411%0.108CC..THydrogen-bonded Turntrans-57.6129.3-179.1-69.8161.4000109.6I43 F48 V49 N50 A144I43-I142 HydrophobicContact CD1-CG2 3.87Å; F48-I142 HydrophobicContact CD2-CG2 4.03Å; F48-I142 HydrophobicContact CE2-CG2 4.21Å; V49-I142 PolarHBondContact O-N 2.87Å; N50-I142 HydrophobicContact CB-CD1 3.97Å; N50-I142 HydrophobicContact CB-CG1 3.99Å; I142-A144 VanDerWaalsContact C-N 3.25Å; I142-A144 PolarHBondContact O-N 3.4Å
143G93.7Very high94.1Very high3 Ų325.1 Ų25.13%0.03112%0.123CC..THydrogen-bonded Turntrans73.57.8176.200000115.5N47 R141 E145N47-G143 PolarHBondContact O-N 3.06Å; R141-G143 PolarHBondContact O-N 3.17Å; G143-E145 PolarHBondContact O-N 2.99Å
144A96.7Very high94.2Very high0 Ų032 Ų320%016%0.155CC..  trans-70.1122.7173.100000110.3N47 Y113 Y114 I121 R141 I142 L164N47-A144 PolarHBondContact ND2-O 3.01Å; Y113-A144 HydrophobicContact CD1-CB 4.07Å; Y114-A144 WeakPolarHBondContact O-CA 3.36Å; I121-A144 HydrophobicContact CD1-CB 4.08Å; R141-A144 HydrophobicContact CB-CB 4.22Å; R141-A144 WeakPolarHBondContact O-CB 3.45Å; R141-A144 PolarHBondContact O-N 2.63Å; I142-A144 VanDerWaalsContact C-N 3.25Å; I142-A144 PolarHBondContact O-N 3.4Å; A144-L164 HydrophobicContact CB-CD1 4.45Å; A144-L164 WeakPolarHBondContact O-CD1 3.42Å
145E96.4Very high93.9Very high67 Ų6737.2 Ų37.231%0.31318%0.178SC..  trans-113.4-24.3174.1-70-168.9-171.800112.1Y114 C116 G143 L164Y114-E145 PolarHBondContact O-N 2.92Å; C116-E145 VanDerWaalsContact CA-OE2 3.25Å; C116-E145 WeakPolarHBondContact CA-OE2 3.17Å; C116-E145 HydrophobicContact CB-CG 4.37Å; C116-E145 WeakPolarHBondContact CB-OE1 3.25Å; C116-E145 VanDerWaalsContact CB-OE2 3.24Å; C116-E145 WeakPolarHBondContact CB-OE2 3.45Å; G143-E145 PolarHBondContact O-N 2.99Å; E145-L164 PolarHBondContact O-N 3.47Å
146F97.8Very high93.2Very high30 Ų3044.6 Ų44.613%0.13221%0.212CC..EExtended strand (participates in β ladder)trans-128.6153175.1-50-101.2000110.4Y114 D115 R118 P161 V162 G163Y114-F146 PolarHBondContact N-O 3.16Å; Y114-F146 PolarHBondContact O-N 3.04Å; Y114-F146 VanDerWaalsContact O-N 3.15Å; D115-F146 WeakPolarHBondContact O-CD2 3.44Å; R118-F146 HydrophobicContact CG-CD2 3.95Å; R118-F146 HydrophobicContact CG-CE2 3.92Å; R118-F146 HydrophobicContact CG-CG 4.33Å; R118-F146 HydrophobicContact CG-CZ 4.26Å; F146-P161 HydrophobicContact CB-CB 3.79Å; F146-V162 CarbonylContact C-O 3.52Å; F146-V162 WeakPolarHBondContact CA-O 3.45Å; F146-V162 WeakPolarHBondContact CB-O 3.48Å; F146-G163 VanDerWaalsContact CD1-CA 3.47Å
147V97.7Very high92.5Very high0 Ų045.5 Ų45.50%022%0.219CC..EExtended strand (participates in β ladder)trans-133.6151.1174.9-67.90000110.8A88 I95 I97 R112 Y113 P161 V162 L164A88-V147 HydrophobicContact CB-CG2 3.35Å; I95-V147 HydrophobicContact CD1-CG1 4.22Å; I95-V147 HydrophobicContact CG2-CG1 4.39Å; I95-V147 HydrophobicContact CG2-CG2 4.35Å; I97-V147 HydrophobicContact CD1-CB 4.02Å; I97-V147 HydrophobicContact CD1-CG2 3.75Å; I97-V147 HydrophobicContact CG1-CG2 3.89Å; R112-V147 CarbonylContact O-C 3.41Å; R112-V147 VanDerWaalsContact O-CA 3.27Å; R112-V147 WeakPolarHBondContact O-CA 3.35Å; Y113-V147 HydrophobicContact CD1-CG1 3.83Å; Y113-V147 HydrophobicContact CE1-CG1 4.3Å; V147-P161 WeakPolarHBondContact O-CA 3.17Å; V147-V162 HydrophobicContact CG2-CG2 4.23Å; V147-V162 PolarHBondContact N-O 2.62Å; V147-V162 PolarHBondContact O-N 2.81Å; V147-L164 HydrophobicContact CB-CD2 4.42Å; V147-L164 HydrophobicContact CG1-CD1 4.5Å; V147-L164 HydrophobicContact CG1-CD2 3.88Å; V147-L164 HydrophobicContact CG1-CG 4.38Å; V147-L164 HydrophobicContact CG2-CD2 3.67Å
148S96.7Very high92Very high0 Ų050.1 Ų50.10%024%0.244CC..EExtended strand (participates in β ladder)trans-137.6177.1169-1680000109.5R112 S157 I159R112-S148 PolarHBondContact N-O 3.2Å; R112-S148 PolarHBondContact O-N 2.85Å; S148-S157 PolarHBondContact OG-OG 3.5Å; S148-I159 PolarHBondContact OG-O 3.21Å
149V95.5Very high91.6Very high0 Ų051.7 Ų51.70%025%0.252CS..EExtended strand (participates in β ladder)trans-125.4152.4172.7-61.20000110.6I83 I85 I97 L99 L109 Y110 I136 S157 I159I83-V149 HydrophobicContact CG2-CG2 3.64Å; I85-V149 HydrophobicContact CD1-CG2 4.21Å; I85-V149 HydrophobicContact CG1-CG2 4.22Å; I97-V149 HydrophobicContact CD1-CG1 3.8Å; L99-V149 HydrophobicContact CD2-CG1 4.36Å; L99-V149 HydrophobicContact CD2-CG2 3.98Å; L109-V149 HydrophobicContact CB-CB 4.41Å; L109-V149 HydrophobicContact CD1-CB 4.41Å; L109-V149 HydrophobicContact CD1-CG2 4.31Å; Y110-V149 CarbonylContact O-C 3.48Å; Y110-V149 WeakPolarHBondContact O-CA 3.34Å; I136-V149 HydrophobicContact CG2-CG1 4.01Å; V149-S157 PolarHBondContact O-OG 3.37Å; V149-I159 HydrophobicContact CG2-CD1 3.79Å
150S94.2Very high91.3Very high10 Ų1056.9 Ų56.97%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-143.2152.9171.564.40000111.4L109 Y110 N152L109-S150 CarbonylContact C-O 3.57Å; Y110-S150 PolarHBondContact N-O 3.02Å; Y110-S150 PolarHBondContact O-N 2.93Å; S150-N152 WeakPolarHBondContact CB-O 3.23Å; S150-N152 PolarHBondContact OG-O 2.56Å
151E91.4Very high91.3Very high125 Ų12557.8 Ų57.858%0.58429%0.291SS*.SBendtrans-79.1-26.6173.3-65.9-177121.900112I83 K107 L109I83-E151 HydrophobicContact CD1-CG 3.71Å; K107-E151 WeakPolarHBondContact CE-OE1 3.28Å; K107-E151 IonicContact NZ-OE1 2.65Å; K107-E151 PolarHBondContact NZ-OE1 2.77Å; L109-E151 HydrophobicContact CD2-CB 4.5Å; L109-E151 HydrophobicContact CD2-CG 3.68Å
152N89.2Confident91.3Very high81 Ų8158.2 Ų58.243%0.43330%0.296SS..  trans-121.4138.9-179.1-167.5-35.2000110.2S150 E154 K155S150-N152 WeakPolarHBondContact CB-O 3.23Å; S150-N152 PolarHBondContact OG-O 2.56Å; N152-E154 WeakPolarHBondContact OD1-CB 3.43Å; N152-E154 PolarHBondContact OD1-N 3.23Å; N152-K155 HydrophobicContact CB-CB 4.29Å
153L89.8Confident91.4Very high77 Ų7758.6 Ų58.640%0.40331%0.307SS..SBendtrans-75.1-35.1177.2179.863.9000112.8Y110 R112 A125Y110-L153 HydrophobicContact CD1-CB 4.14Å; Y110-L153 HydrophobicContact CD1-CD1 3.99Å; Y110-L153 HydrophobicContact CD2-CB 4.21Å; Y110-L153 HydrophobicContact CE1-CB 3.89Å; Y110-L153 HydrophobicContact CE1-CD1 4.26Å; Y110-L153 HydrophobicContact CE1-CD2 4.3Å; Y110-L153 HydrophobicContact CE1-CG 4.38Å; Y110-L153 HydrophobicContact CE2-CB 3.97Å; Y110-L153 HydrophobicContact CG-CB 4.29Å; Y110-L153 HydrophobicContact CG-CD1 4.48Å; R112-L153 PolarHBondContact NH1-O 3.06Å; A125-L153 HydrophobicContact CB-CD1 3.42Å; A125-L153 VanDerWaalsContact CB-CD1 3.42Å
154E85.9Confident91.6Very high183 Ų18359.8 Ų59.886%0.85531%0.313SS*.SBendtrans-78.1-28.4-174.6-60.2-177.6168.100112.3N152N152-E154 WeakPolarHBondContact OD1-CB 3.43Å; N152-E154 PolarHBondContact OD1-N 3.23Å
155K82.4Confident91.6Very high113 Ų11361.8 Ų61.849%0.49133%0.325SS..SBendtrans-86.9140.2176.6-157.5-171.8175.3-162.50109.6R112 N152 D158R112-K155 PolarHBondContact NH2-O 3.31Å; N152-K155 HydrophobicContact CB-CB 4.29Å; K155-D158 WeakPolarHBondContact CE-OD1 3.31Å; K155-D158 VanDerWaalsContact NZ-CG 3.28Å; K155-D158 IonicContact NZ-OD1 2.85Å; K155-D158 PolarHBondContact NZ-OD1 3.42Å; K155-D158 IonicContact NZ-OD2 2.68Å; K155-D158 PolarHBondContact NZ-OD2 2.84Å
156E76.9Confident91.6Very high156 Ų15661.8 Ų61.873%0.72932%0.324SS*.PPolyproline II helixtrans-56.8149.2163.4-69.7-173.417400110D158E156-D158 PolarHBondContact O-N 2.78Å
157S80.8Confident91.5Very high20 Ų2061 Ų6114%0.1432%0.32CS..PPolyproline II helixtrans-69.6126.7176.8178.80000109S148 V149 I159S148-S157 PolarHBondContact OG-OG 3.5Å; V149-S157 PolarHBondContact O-OG 3.37Å; S157-I159 PolarHBondContact O-N 3.35Å; S157-I159 WeakPolarHBondContact OG-CB 3.32Å; S157-I159 PolarHBondContact OG-N 2.86Å; S157-I159 VanDerWaalsContact OG-N 3.08Å; S157-I159 PolarHBondContact OG-O 2.91Å
158D83.9Confident91.4Very high130 Ų13062.6 Ų62.670%0.69533%0.33SS*.SBendtrans-73.4-2.6170.9-57.4-48.7000111.8K155 E156K155-D158 WeakPolarHBondContact CE-OD1 3.31Å; K155-D158 VanDerWaalsContact NZ-CG 3.28Å; K155-D158 IonicContact NZ-OD1 2.85Å; K155-D158 PolarHBondContact NZ-OD1 3.42Å; K155-D158 IonicContact NZ-OD2 2.68Å; K155-D158 PolarHBondContact NZ-OD2 2.84Å; E156-D158 PolarHBondContact O-N 2.78Å
159I89.1Confident91.3Very high33 Ų3364.9 Ų64.917%0.16934%0.34CS..SBendtrans-101.9123.7-177.7-56.4169.5000109.4I83 I85 S148 V149 S157I83-I159 HydrophobicContact CB-CD1 3.85Å; I83-I159 HydrophobicContact CG2-CD1 3.56Å; I83-I159 WeakPolarHBondContact O-CD1 3.44Å; I85-I159 HydrophobicContact CD1-CG2 3.78Å; I85-I159 HydrophobicContact CG1-CG2 4.01Å; S148-I159 PolarHBondContact OG-O 3.21Å; V149-I159 HydrophobicContact CG2-CD1 3.79Å; S157-I159 PolarHBondContact O-N 3.35Å; S157-I159 WeakPolarHBondContact OG-CB 3.32Å; S157-I159 PolarHBondContact OG-N 2.86Å; S157-I159 VanDerWaalsContact OG-N 3.08Å; S157-I159 PolarHBondContact OG-O 2.91Å
160T91.7Very high91.1Very high109 Ų10974.3 Ų74.367%0.66938%0.384SS*.PPolyproline II helixtrans-55.7127.3177.4-55.40000111.4V162T160-V162 PolarHBondContact O-N 3.14Å
161P95.1Very high91.1Very high24 Ų2481.2 Ų81.216%0.15642%0.415CS..PPolyproline II helixtrans-61.6131.9177-2434.2000112.8Y114 R118 F146 V147Y114-P161 HydrophobicContact CD1-CG 3.95Å; Y114-P161 HydrophobicContact CD2-CB 3.69Å; Y114-P161 HydrophobicContact CD2-CG 3.66Å; Y114-P161 HydrophobicContact CE1-CG 3.77Å; Y114-P161 HydrophobicContact CE2-CB 3.9Å; Y114-P161 HydrophobicContact CE2-CG 3.49Å; Y114-P161 VanDerWaalsContact CE2-CG 3.49Å; Y114-P161 HydrophobicContact CG-CB 4.11Å; Y114-P161 HydrophobicContact CG-CG 3.92Å; R118-P161 PolarHBondContact NH1-O 3.38Å; F146-P161 HydrophobicContact CB-CB 3.79Å; V147-P161 WeakPolarHBondContact O-CA 3.17Å
162V96.5Very high91.3Very high34 Ų3477.5 Ų77.521%0.20640%0.402CS..EExtended strand (participates in β ladder)trans-97.2146.1176.8-59.30000110.6I85 A88 F146 V147 T160I85-V162 HydrophobicContact CB-CG1 3.98Å; I85-V162 HydrophobicContact CB-CG2 4.43Å; I85-V162 HydrophobicContact CD1-CG2 4.44Å; I85-V162 HydrophobicContact CG2-CB 4.26Å; I85-V162 HydrophobicContact CG2-CG1 3.78Å; I85-V162 HydrophobicContact CG2-CG2 3.51Å; A88-V162 HydrophobicContact CB-CG2 3.67Å; F146-V162 CarbonylContact C-O 3.52Å; F146-V162 WeakPolarHBondContact CA-O 3.45Å; F146-V162 WeakPolarHBondContact CB-O 3.48Å; V147-V162 HydrophobicContact CG2-CG2 4.23Å; V147-V162 PolarHBondContact N-O 2.62Å; V147-V162 PolarHBondContact O-N 2.81Å; T160-V162 PolarHBondContact O-N 3.14Å
163G97.6Very high91.7Very high36 Ų3678.1 Ų78.137%0.37140%0.404SS..EExtended strand (participates in β ladder)trans-69.5145.3178.100000111.6F146 T165F146-G163 VanDerWaalsContact CD1-CA 3.47Å; G163-T165 PolarHBondContact O-N 3.18Å
164L97.8Very high92.1Very high28 Ų2875.8 Ų75.815%0.14739%0.391CS..EExtended strand (participates in β ladder)trans-74.7122.9173.3-68.4175.1000110.5A88 V90 I95 A144 E145 V147A88-L164 HydrophobicContact CB-CD2 3.94Å; V90-L164 HydrophobicContact CB-CB 4.28Å; V90-L164 HydrophobicContact CB-CD1 4.29Å; V90-L164 HydrophobicContact CB-CD2 4.47Å; V90-L164 HydrophobicContact CG1-CB 4.1Å; I95-L164 HydrophobicContact CD1-CD1 3.93Å; I95-L164 HydrophobicContact CD1-CD2 4.1Å; I95-L164 HydrophobicContact CG1-CD1 4.47Å; I95-L164 HydrophobicContact CG1-CD2 4.12Å; I95-L164 HydrophobicContact CG2-CD2 3.62Å; A144-L164 HydrophobicContact CB-CD1 4.45Å; A144-L164 WeakPolarHBondContact O-CD1 3.42Å; E145-L164 PolarHBondContact O-N 3.47Å; V147-L164 HydrophobicContact CB-CD2 4.42Å; V147-L164 HydrophobicContact CG1-CD1 4.5Å; V147-L164 HydrophobicContact CG1-CD2 3.88Å; V147-L164 HydrophobicContact CG1-CG 4.38Å; V147-L164 HydrophobicContact CG2-CD2 3.67Å
165T97.2Very high92.6Very high42 Ų4269.4 Ų69.426%0.25836%0.361SS..EExtended strand (participates in β ladder)trans-81.9122171.3-560000109.1A88 Y89 V90 G163 R167A88-T165 VanDerWaalsContact O-CB 3.23Å; A88-T165 WeakPolarHBondContact O-CB 3.37Å; A88-T165 PolarHBondContact O-N 3.31Å; A88-T165 PolarHBondContact O-OG1 3Å; A88-T165 VanDerWaalsContact O-OG1 3.14Å; Y89-T165 WeakPolarHBondContact CA-O 3.23Å; Y89-T165 HydrophobicContact CD1-CG2 3.95Å; Y89-T165 HydrophobicContact CE1-CG2 4.21Å; V90-T165 PolarHBondContact N-O 3.27Å; G163-T165 PolarHBondContact O-N 3.18Å; T165-R167 VanDerWaalsContact CG2-NH1 3.3Å; T165-R167 PolarHBondContact O-N 2.87Å
166F96.7Very high93.4Very high66 Ų6664 Ų6429%0.28934%0.338SS..EExtended strand (participates in β ladder)trans-67.7124.6-176.3-174.1-92.5000112W46 V168 F169W46-F166 HydrophobicContact CB-CE2 4.18Å; W46-F166 AromaticContact CD2-CD2 3.97Å; W46-F166 HydrophobicContact CD2-CD2 3.97Å; W46-F166 AromaticContact CD2-CE2 3.57Å; W46-F166 HydrophobicContact CD2-CE2 3.57Å; W46-F166 AromaticContact CE2-CE2 3.97Å; W46-F166 HydrophobicContact CE3-CD2 4.05Å; W46-F166 AromaticContact CE3-CE2 3.87Å; W46-F166 HydrophobicContact CE3-CE2 3.87Å; W46-F166 AromaticContact CG-CE2 3.69Å; W46-F166 HydrophobicContact CG-CE2 3.69Å; W46-F166 HydrophobicContact CH2-CD2 4.4Å; W46-F166 HydrophobicContact CZ2-CD2 4.28Å; W46-F166 HydrophobicContact CZ3-CD2 4.28Å; F166-V168 HydrophobicContact CD2-CB 4.4Å; F166-V168 HydrophobicContact CD2-CG2 4.37Å; F166-V168 HydrophobicContact CE1-CB 4.22Å; F166-V168 WeakPolarHBondContact CE1-O 3.29Å; F166-V168 HydrophobicContact CE2-CB 3.68Å; F166-V168 HydrophobicContact CE2-CG2 4.02Å; F166-V168 HydrophobicContact CZ-CB 3.59Å; F166-V168 HydrophobicContact CZ-CG2 4.4Å; F166-V168 WeakPolarHBondContact CZ-O 3.02Å; F166-F169 HydrophobicContact CD1-CD1 4.09Å; F166-F169 AromaticContact CD1-CE1 3.56Å; F166-F169 HydrophobicContact CD1-CE1 3.56Å; F166-F169 HydrophobicContact CD1-CE2 4.26Å; F166-F169 AromaticContact CD1-CZ 3.68Å; F166-F169 HydrophobicContact CD1-CZ 3.68Å; F166-F169 AromaticContact CE1-CD1 3.72Å; F166-F169 HydrophobicContact CE1-CD1 3.72Å; F166-F169 AromaticContact CE1-CE1 3.63Å; F166-F169 HydrophobicContact CE1-CE1 3.63Å; F166-F169 HydrophobicContact CE1-CG 4.29Å; F166-F169 HydrophobicContact CE1-CZ 4.19Å; F166-F169 WeakPolarHBondContact O-CE2 3.43Å
167R96.3Very high94.4Very high15 Ų1556.6 Ų56.66%0.05730%0.303CS..  trans-135.426.1174.4-61.1-62.6-178.2-113.910.4112.1Y89 V90 Y91 T165 F169 R259 A261 Y262Y89-R167 HydrophobicContact CD1-CG 4.26Å; V90-R167 CarbonylContact O-C 3.6Å; V90-R167 VanDerWaalsContact O-CA 3.27Å; V90-R167 WeakPolarHBondContact O-CA 3.38Å; V90-R167 VanDerWaalsContact O-CB 3.29Å; V90-R167 WeakPolarHBondContact O-CB 3.41Å; V90-R167 PolarHBondContact O-N 3.45Å; Y91-R167 HydrophobicContact CD1-CB 3.48Å; Y91-R167 VanDerWaalsContact CD1-CB 3.48Å; Y91-R167 HydrophobicContact CD1-CG 4.32Å; Y91-R167 HydrophobicContact CE1-CB 3.46Å; Y91-R167 VanDerWaalsContact CE1-CB 3.46Å; Y91-R167 HydrophobicContact CE1-CG 3.82Å; Y91-R167 HydrophobicContact CG-CB 4.49Å; T165-R167 VanDerWaalsContact CG2-NH1 3.3Å; T165-R167 PolarHBondContact O-N 2.87Å; R167-F169 VanDerWaalsContact C-N 3.3Å; R167-F169 PolarHBondContact O-N 3.46Å; R167-R259 VanDerWaalsContact CZ-O 3.23Å; R167-R259 PolarHBondContact NE-O 2.8Å; R167-R259 PolarHBondContact NH2-O 3.42Å; R167-A261 WeakPolarHBondContact CD-O 3.27Å; R167-Y262 WeakPolarHBondContact O-CB 3.19Å
168V95.1Very high95.3Very high33 Ų3355.7 Ų55.720%0.230%0.296CS..  trans-9753.6177.8-163.30000109.6V90 P92 F166V90-V168 HydrophobicContact CG1-CG2 4.4Å; V90-V168 HydrophobicContact CG2-CG2 4.2Å; V90-V168 WeakPolarHBondContact O-CG2 3.37Å; P92-V168 HydrophobicContact CB-CG1 4.41Å; P92-V168 HydrophobicContact CG-CG1 4.1Å; F166-V168 HydrophobicContact CD2-CB 4.4Å; F166-V168 HydrophobicContact CD2-CG2 4.37Å; F166-V168 HydrophobicContact CE1-CB 4.22Å; F166-V168 WeakPolarHBondContact CE1-O 3.29Å; F166-V168 HydrophobicContact CE2-CB 3.68Å; F166-V168 HydrophobicContact CE2-CG2 4.02Å; F166-V168 HydrophobicContact CZ-CB 3.59Å; F166-V168 HydrophobicContact CZ-CG2 4.4Å; F166-V168 WeakPolarHBondContact CZ-O 3.02Å
169F94.4Very high96Very high48 Ų4849.5 Ų49.521%0.21126%0.264CS..  trans-83.9139.5177.8-58.5-68.8000110.5F166 R167 E171 I173 Y262 H263F166-F169 HydrophobicContact CD1-CD1 4.09Å; F166-F169 AromaticContact CD1-CE1 3.56Å; F166-F169 HydrophobicContact CD1-CE1 3.56Å; F166-F169 HydrophobicContact CD1-CE2 4.26Å; F166-F169 AromaticContact CD1-CZ 3.68Å; F166-F169 HydrophobicContact CD1-CZ 3.68Å; F166-F169 AromaticContact CE1-CD1 3.72Å; F166-F169 HydrophobicContact CE1-CD1 3.72Å; F166-F169 AromaticContact CE1-CE1 3.63Å; F166-F169 HydrophobicContact CE1-CE1 3.63Å; F166-F169 HydrophobicContact CE1-CG 4.29Å; F166-F169 HydrophobicContact CE1-CZ 4.19Å; F166-F169 WeakPolarHBondContact O-CE2 3.43Å; R167-F169 VanDerWaalsContact C-N 3.3Å; R167-F169 PolarHBondContact O-N 3.46Å; F169-E171 WeakPolarHBondContact CB-O 3.35Å; F169-I173 HydrophobicContact CD1-CD1 3.99Å; F169-I173 HydrophobicContact CD1-CG1 4.04Å; F169-I173 HydrophobicContact CD2-CG1 4.5Å; F169-I173 HydrophobicContact CE1-CD1 3.42Å; F169-I173 VanDerWaalsContact CE1-CD1 3.42Å; F169-I173 HydrophobicContact CE1-CG1 3.99Å; F169-I173 HydrophobicContact CE2-CD1 4.11Å; F169-I173 HydrophobicContact CE2-CG1 4.41Å; F169-I173 HydrophobicContact CG-CG1 4.32Å; F169-I173 HydrophobicContact CZ-CD1 3.47Å; F169-I173 VanDerWaalsContact CZ-CD1 3.47Å; F169-I173 HydrophobicContact CZ-CG1 4.16Å; F169-Y262 WeakPolarHBondContact CD2-O 3.24Å; F169-H263 HydrophobicContact CE2-CB 4.37Å; F169-H263 AromaticContact CE2-CD2 3.92Å
170E91.1Very high96.4Very high198 Ų19848 Ų4893%0.92526%0.255SS*.SBendtrans-67.2-42.4172.8-66.6-175.4171.700111
171E94.2Very high96.4Very high155 Ų15543.3 Ų43.372%0.72423%0.228SC*.SBendtrans-131.2146.9174.7-71.5-66.8159.600109.4F169 I173F169-E171 WeakPolarHBondContact CB-O 3.35Å; E171-I173 PolarHBondContact O-N 3.28Å
172P96Very high96.2Very high47 Ų4742.5 Ų42.531%0.30522%0.223SC..  trans-59.2135.6178.1-23.934.7000112.8H174 Y262 K265P172-H174 VanDerWaalsContact C-N 3.31Å; P172-H174 PolarHBondContact O-N 3.43Å; P172-Y262 WeakPolarHBondContact CA-O 3.47Å; P172-K265 HydrophobicContact CB-CB 4.01Å; P172-K265 VanDerWaalsContact CB-N 3.33Å; P172-K265 HydrophobicContact CG-CB 3.91Å
173I97Very high95.9Very high94 Ų9441.6 Ų41.648%0.48222%0.217SC..SBendtrans-63.7-41.2176.4-61.6-168.8000110.5F169 E171 H263F169-I173 HydrophobicContact CD1-CD1 3.99Å; F169-I173 HydrophobicContact CD1-CG1 4.04Å; F169-I173 HydrophobicContact CD2-CG1 4.5Å; F169-I173 HydrophobicContact CE1-CD1 3.42Å; F169-I173 VanDerWaalsContact CE1-CD1 3.42Å; F169-I173 HydrophobicContact CE1-CG1 3.99Å; F169-I173 HydrophobicContact CE2-CD1 4.11Å; F169-I173 HydrophobicContact CE2-CG1 4.41Å; F169-I173 HydrophobicContact CG-CG1 4.32Å; F169-I173 HydrophobicContact CZ-CD1 3.47Å; F169-I173 VanDerWaalsContact CZ-CD1 3.47Å; F169-I173 HydrophobicContact CZ-CG1 4.16Å; E171-I173 PolarHBondContact O-N 3.28Å; I173-H263 PolarHBondContact N-O 3.15Å
174H97.9Very high95.4Very high27 Ų2743.3 Ų43.313%0.12521%0.212CC..EExtended strand (participates in β ladder)trans-111.7137.6-178.2-60.7-69.9000110.9P172 S206 Y207 H263 S264 K265P172-H174 VanDerWaalsContact C-N 3.31Å; P172-H174 PolarHBondContact O-N 3.43Å; H174-S206 WeakPolarHBondContact CB-OG 2.99Å; H174-S206 PolarHBondContact ND1-OG 2.9Å; H174-Y207 AromaticContact CD2-CG 3.84Å; H174-Y207 AromaticContact CE1-CD2 3.58Å; H174-Y207 AromaticContact CE1-CG 3.82Å; H174-Y207 AromaticContact NE2-CD2 3.43Å; H174-Y207 WeakPolarHBondContact NE2-CD2 3.47Å; H174-Y207 AromaticContact NE2-CG 3.49Å; H174-H263 AromaticContact CD2-CD2 3.93Å; H174-H263 AromaticContact CD2-CE1 3.34Å; H174-H263 PolarHBondContact CD2-CE1 3.42Å; H174-H263 AromaticContact CD2-ND1 3.85Å; H174-H263 AromaticContact CD2-NE2 3.42Å; H174-H263 PolarHBondContact CD2-NE2 2.73Å; H174-H263 PolarHBondContact N-O 3.06Å; H174-H263 AromaticContact NE2-CE1 3.43Å; H174-H263 PolarHBondContact NE2-CE1 2.89Å; H174-H263 AromaticContact NE2-NE2 3.43Å; H174-H263 PolarHBondContact NE2-NE2 2.78Å; H174-S264 CarbonylContact O-C 3.58Å; H174-S264 VanDerWaalsContact O-CA 3.23Å; H174-S264 WeakPolarHBondContact O-CA 3.07Å; H174-K265 PolarHBondContact O-N 3.13Å
175E97.8Very high94.7Very high50 Ų5043.7 Ų43.723%0.23422%0.223CC..EExtended strand (participates in β ladder)trans-80.3-41.2175.3-159178.3170.800111.8K265 W266 I285 R289E175-K265 HydrophobicContact CG-CB 4.45Å; E175-K265 HydrophobicContact CG-CD 3.89Å; E175-K265 WeakPolarHBondContact O-CB 3.31Å; E175-K265 IonicContact OE1-NZ 3.41Å; E175-W266 WeakPolarHBondContact O-CB 3.17Å; E175-W266 PolarHBondContact O-N 3.13Å; E175-I285 HydrophobicContact CB-CD1 3.89Å; E175-I285 HydrophobicContact CB-CG1 4.44Å; E175-I285 HydrophobicContact CG-CD1 3.5Å; E175-I285 HydrophobicContact CG-CG1 4.2Å; E175-R289 VanDerWaalsContact CD-NE 3.3Å; E175-R289 WeakPolarHBondContact OE1-CG 3.25Å; E175-R289 IonicContact OE1-NE 2.62Å; E175-R289 PolarHBondContact OE1-NE 2.89Å; E175-R289 IonicContact OE2-CZ 2.84Å; E175-R289 IonicContact OE2-NE 3.59Å; E175-R289 PolarHBondContact OE2-NE 3.33Å; E175-R289 IonicContact OE2-NH2 2.93Å; E175-R289 PolarHBondContact OE2-NH2 2.74Å
176L98.6Very high94.1Very high0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-132.4127.8172.4176.862.2000109.3A205 S206 W266 A268 L276 M284 I285 L288 I345L176-A205 HydrophobicContact CD2-CB 4.27Å; L176-A205 HydrophobicContact CG-CB 4.21Å; L176-A205 WeakPolarHBondContact O-CA 3.23Å; L176-S206 PolarHBondContact O-N 2.88Å; L176-S206 PolarHBondContact O-OG 3.49Å; L176-W266 WeakPolarHBondContact CA-O 3.45Å; L176-W266 HydrophobicContact CD1-CB 3.98Å; L176-A268 HydrophobicContact CD1-CB 4.45Å; L176-L276 HydrophobicContact CD2-CD1 4.23Å; L176-M284 HydrophobicContact CD2-CG 4.3Å; L176-I285 HydrophobicContact CB-CD1 3.75Å; L176-L288 HydrophobicContact CD1-CD1 3.96Å; L176-L288 HydrophobicContact CD2-CD1 4.29Å; L176-I345 HydrophobicContact CD1-CG2 4.27Å
177S98.6Very high93.6Very high0 Ų052.1 Ų52.10%026%0.264CS..EExtended strand (participates in β ladder)trans-124.6166.9167.363.50000111.3Y207 Y209 S264 W266 T267 A268S177-Y207 CarbonylContact C-O 3.54Å; S177-Y207 WeakPolarHBondContact CA-O 3.48Å; S177-Y207 VanDerWaalsContact CB-O 3.24Å; S177-Y207 WeakPolarHBondContact CB-O 3.27Å; S177-Y209 WeakPolarHBondContact OG-CE2 3.13Å; S177-S264 WeakPolarHBondContact CB-OG 3.38Å; S177-S264 WeakPolarHBondContact OG-CB 3.44Å; S177-S264 PolarHBondContact OG-OG 3.45Å; S177-W266 PolarHBondContact N-O 3.05Å; S177-T267 CarbonylContact O-C 3.52Å; S177-T267 WeakPolarHBondContact O-CA 3.47Å; S177-T267 PolarHBondContact OG-OG1 3.28Å; S177-A268 PolarHBondContact O-N 2.71Å
178V98.6Very high93.3Very high0 Ų052.7 Ų52.70%027%0.27CS..EExtended strand (participates in β ladder)trans-125.3124.8-179.4-172.80000111V180 F196 N200 A205 Y207 F208 Y209 A268 I270V178-V180 HydrophobicContact CG1-CG2 4.36Å; V178-F196 HydrophobicContact CG1-CE1 4.13Å; V178-F196 HydrophobicContact CG1-CZ 3.62Å; V178-N200 HydrophobicContact CG2-CB 4.47Å; V178-A205 HydrophobicContact CG2-CB 3.79Å; V178-Y207 PolarHBondContact N-O 2.88Å; V178-F208 HydrophobicContact CB-CD1 3.69Å; V178-F208 HydrophobicContact CB-CE1 3.95Å; V178-F208 HydrophobicContact CG1-CD1 4.45Å; V178-F208 HydrophobicContact CG2-CD1 4.03Å; V178-F208 HydrophobicContact CG2-CE1 3.77Å; V178-F208 CarbonylContact O-C 3.56Å; V178-F208 WeakPolarHBondContact O-CA 3.36Å; V178-Y209 PolarHBondContact O-N 2.99Å; V178-A268 CarbonylContact C-O 3.46Å; V178-A268 WeakPolarHBondContact CA-O 3.25Å; V178-A268 HydrophobicContact CG1-CB 4.43Å; V178-A268 HydrophobicContact CG2-CB 4.36Å; V178-I270 HydrophobicContact CG1-CD1 3.78Å; V178-I270 HydrophobicContact CG1-CG1 3.49Å; V178-I270 VanDerWaalsContact CG1-CG1 3.49Å
179C98.1Very high93.2Very high1 Ų151.8 Ų51.81%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-87.4113.9165.4-72.80000108.6C256 T267 A268 F269 I270C179-C256 VanDerWaalsContact CA-SG 3.59Å; C179-C256 HydrophobicContact CB-CB 3.88Å; C179-C256 WeakPolarHBondContact CB-SG 2.96Å; C179-C256 WeakPolarHBondContact SG-CB 3.17Å; C179-C256 CovalentContact SG-SG 2.01Å; C179-C256 PolarHBondContact SG-SG 2.94Å; C179-T267 HydrophobicContact CB-CG2 4.19Å; C179-T267 WeakPolarHBondContact SG-CG2 3.25Å; C179-A268 PolarHBondContact N-O 3.43Å; C179-F269 HydrophobicContact CB-CD1 3.7Å; C179-F269 HydrophobicContact CB-CD2 4.36Å; C179-F269 HydrophobicContact CB-CE1 3.78Å; C179-F269 HydrophobicContact CB-CE2 4.39Å; C179-F269 HydrophobicContact CB-CG 4.01Å; C179-F269 HydrophobicContact CB-CZ 4.12Å; C179-F269 VanDerWaalsContact SG-CZ 3.6Å; C179-I270 PolarHBondContact O-N 3.21Å
180V97Very high93.2Very high0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-90.7132.4179.8-165.40000109.4V178 F196 Y209 F210 Q252 I270 L272V178-V180 HydrophobicContact CG1-CG2 4.36Å; V180-F196 HydrophobicContact CB-CZ 4.49Å; V180-F196 HydrophobicContact CG1-CE1 4.34Å; V180-F196 HydrophobicContact CG1-CZ 4.18Å; V180-F196 HydrophobicContact CG2-CD1 4.44Å; V180-F196 HydrophobicContact CG2-CE1 3.42Å; V180-F196 VanDerWaalsContact CG2-CE1 3.42Å; V180-F196 HydrophobicContact CG2-CZ 3.68Å; V180-Y209 PolarHBondContact N-O 2.96Å; V180-F210 HydrophobicContact CB-CD1 4.31Å; V180-F210 HydrophobicContact CB-CE1 4.33Å; V180-F210 HydrophobicContact CB-CG 4.49Å; V180-F210 HydrophobicContact CG1-CD1 4.38Å; V180-F210 HydrophobicContact CG1-CE1 4.08Å; V180-F210 HydrophobicContact CG1-CZ 4.46Å; V180-F210 HydrophobicContact CG2-CD1 4.3Å; V180-F210 HydrophobicContact CG2-CD2 3.95Å; V180-F210 HydrophobicContact CG2-CE1 4.11Å; V180-F210 HydrophobicContact CG2-CE2 3.73Å; V180-F210 HydrophobicContact CG2-CG 4.24Å; V180-F210 HydrophobicContact CG2-CZ 3.82Å; V180-Q252 PolarHBondContact O-NE2 2.01Å; V180-I270 WeakPolarHBondContact CA-O 3.44Å; V180-L272 HydrophobicContact CG1-CB 4.44Å
181A92.7Very high93.3Very high11 Ų1140.6 Ų40.69%0.09121%0.213CC..PPolyproline II helixtrans-55.5148.6172.700000111.1M183 I270 D271A181-M183 PolarHBondContact O-N 3.26Å; A181-I270 PolarHBondContact N-O 3.05Å; A181-I270 VanDerWaalsContact N-O 3.16Å; A181-D271 HydrophobicContact CB-CB 4.36Å; A181-D271 VanDerWaalsContact CB-OD1 3.23Å; A181-D271 WeakPolarHBondContact CB-OD1 3.29Å
182P92Very high93.2Very high8 Ų833.6 Ų33.65%0.05218%0.181CC..PPolyproline II helixtrans-56.7136.7-175.1-31.539.5000114.9Y184 Y211 L237 Q252P182-Y184 HydrophobicContact CB-CD2 4.11Å; P182-Y184 HydrophobicContact CB-CE2 3.32Å; P182-Y211 WeakPolarHBondContact CA-O 3.4Å; P182-L237 HydrophobicContact CB-CD1 4Å; P182-L237 HydrophobicContact CG-CD1 4.06Å; P182-Q252 HydrophobicContact CG-CB 3.48Å; P182-Q252 VanDerWaalsContact CG-CB 3.48Å; P182-Q252 HydrophobicContact CG-CG 3.78Å
183M89.7Confident93.2Very high15 Ų1531.3 Ų31.37%0.07417%0.166CC..EExtended strand (participates in β ladder)trans-103.6134.5176.9-58.917655.300111.7A181 S189 I193 F210 Y211 V212 G213 I215 L272A181-M183 PolarHBondContact O-N 3.26Å; M183-S189 WeakPolarHBondContact CE-OG 3.17Å; M183-I193 HydrophobicContact CE-CD1 3.78Å; M183-I193 HydrophobicContact CE-CG1 3.78Å; M183-I193 HydrophobicContact SD-CG1 4.37Å; M183-F210 HydrophobicContact SD-CD1 3.71Å; M183-F210 HydrophobicContact SD-CE1 3.67Å; M183-Y211 PolarHBondContact N-O 2.9Å; M183-V212 HydrophobicContact CB-CG1 4.19Å; M183-V212 WeakPolarHBondContact O-CA 2.98Å; M183-V212 HydrophobicContact SD-CG1 4.49Å; M183-G213 PolarHBondContact O-N 3.12Å; M183-I215 HydrophobicContact CB-CG2 4.48Å; M183-L272 HydrophobicContact CE-CD2 3.45Å; M183-L272 VanDerWaalsContact CE-CD2 3.45Å; M183-L272 HydrophobicContact CG-CD2 4.38Å; M183-L272 HydrophobicContact SD-CD1 4.16Å; M183-L272 HydrophobicContact SD-CD2 3.86Å; M183-L272 HydrophobicContact SD-CG 4.49Å
184Y85.7Confident93.1Very high72 Ų7229.3 Ų29.328%0.28216%0.156SC..EExtended strand (participates in β ladder)trans-150.3157.6178.5-61.1-87.1000111.2P182 L237 F245 W248P182-Y184 HydrophobicContact CB-CD2 4.11Å; P182-Y184 HydrophobicContact CB-CE2 3.32Å; Y184-L237 HydrophobicContact CE1-CB 4.49Å; Y184-L237 VanDerWaalsContact OH-CB 3.22Å; Y184-L237 WeakPolarHBondContact OH-CB 3.25Å; Y184-L237 WeakPolarHBondContact OH-CD1 3.42Å; Y184-F245 AromaticContact CD2-CD2 3.93Å; Y184-F245 HydrophobicContact CD2-CD2 3.93Å; Y184-F245 HydrophobicContact CD2-CE2 4.01Å; Y184-F245 HydrophobicContact CE2-CD2 4.38Å; Y184-W248 AromaticContact CE1-CD1 3.99Å; Y184-W248 HydrophobicContact CE1-CG 4.44Å; Y184-W248 HydrophobicContact CE2-CB 3.95Å; Y184-W248 HydrophobicContact CE2-CG 4.14Å; Y184-W248 AromaticContact CZ-CD1 3.52Å; Y184-W248 AromaticContact CZ-CG 3.64Å; Y184-W248 AromaticContact CZ-NE1 3.94Å; Y184-W248 WeakPolarHBondContact OH-CB 3.4Å; Y184-W248 VanDerWaalsContact OH-CD1 3.23Å
185G83.1Confident92.9Very high35 Ų3528.5 Ų28.536%0.36115%0.153SC..EExtended strand (participates in β ladder)trans99-177.416900000112.8E214G185-E214 PolarHBondContact N-O 2.82Å
186N84.9Confident92.7Very high128 Ų12826.1 Ų26.168%0.68414%0.141SC*.SBendtrans-107.613.1-170-64.8-24.2000112.8R216N186-R216 HydrophobicContact CB-CG 4.47Å; N186-R216 WeakPolarHBondContact O-CD 3.12Å
187E86.8Confident92.7Very high157 Ų15726.1 Ų26.173%0.73414%0.141SC*.SBendtrans-70.4137.8172.3-68.5-174.8-17400109.9S189E187-S189 PolarHBondContact O-N 3.23Å
188P90.9Very high92.6Very high28 Ų2829.8 Ų29.818%0.18216%0.159CC..  trans-60.8120.4177.8-2.18.5000110.9D314P188-D314 WeakPolarHBondContact CG-OD1 3.38Å
189S92.8Very high92.4Very high14 Ų1431.6 Ų31.610%0.09817%0.167CC..  trans-123-1.2-177.563.90000114.5M183 E187 L191 P192 I193 D219M183-S189 WeakPolarHBondContact CE-OG 3.17Å; E187-S189 PolarHBondContact O-N 3.23Å; S189-L191 PolarHBondContact O-N 2.82Å; S189-P192 VanDerWaalsContact O-CD 3.25Å; S189-P192 WeakPolarHBondContact O-CD 3.34Å; S189-I193 WeakPolarHBondContact O-CB 3.45Å; S189-I193 WeakPolarHBondContact O-CD1 3.47Å; S189-I193 WeakPolarHBondContact O-CG1 3.37Å; S189-I193 PolarHBondContact O-N 2.76Å; S189-D219 PolarHBondContact N-OD1 2.87Å; S189-D219 PolarHBondContact N-OD2 3.39Å; S189-D219 WeakPolarHBondContact OG-CB 3.36Å; S189-D219 PolarHBondContact OG-OD2 2.83Å
190W94.5Very high92.3Very high9 Ų931.5 Ų31.53%0.03417%0.167CC..Hα-helixtrans-51.9-48.7-179.977.1-88.5000113.9I194 Y218 D219 I222 P313 Y316 L322W190-I194 HydrophobicContact CE3-CD1 3.76Å; W190-I194 HydrophobicContact CZ3-CD1 4Å; W190-I194 WeakPolarHBondContact O-CG1 3.2Å; W190-I194 PolarHBondContact O-N 2.95Å; W190-Y218 HydrophobicContact CB-CD1 3.74Å; W190-Y218 HydrophobicContact CB-CE1 3.76Å; W190-Y218 AromaticContact CD1-CD1 3.96Å; W190-Y218 AromaticContact CD1-CE1 3.8Å; W190-Y218 AromaticContact CD2-CE1 3.89Å; W190-Y218 HydrophobicContact CD2-CE1 3.89Å; W190-Y218 AromaticContact CG-CD1 3.84Å; W190-Y218 HydrophobicContact CG-CD1 3.84Å; W190-Y218 AromaticContact CG-CE1 3.52Å; W190-Y218 HydrophobicContact CG-CE1 3.52Å; W190-D219 WeakPolarHBondContact CB-OD1 3.24Å; W190-D219 PolarHBondContact N-OD1 3.46Å; W190-I222 HydrophobicContact CB-CG1 3.79Å; W190-P313 HydrophobicContact CZ2-CB 4.49Å; W190-P313 HydrophobicContact CZ2-CG 3.82Å; W190-P313 PolarHBondContact NE1-O 3.15Å; W190-Y316 HydrophobicContact CH2-CD2 4.3Å; W190-L322 HydrophobicContact CH2-CD1 4.05Å; W190-L322 HydrophobicContact CZ3-CD1 4.36Å
191L93.1Very high92.3Very high2 Ų234.8 Ų34.81%0.0118%0.181CC..Hα-helixtrans-74.1-43.7-179.5-178.660.7000111.8S189 I193 I194 D195 Y312 P313 L322 E325 L326S189-L191 PolarHBondContact O-N 2.82Å; L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 PolarHBondContact O-N 3.16Å; L191-I194 PolarHBondContact O-N 3.01Å; L191-D195 WeakPolarHBondContact O-CB 2.97Å; L191-D195 PolarHBondContact O-N 3.43Å; L191-Y312 HydrophobicContact CD2-CD1 4.44Å; L191-P313 HydrophobicContact CD2-CG 3.96Å; L191-L322 HydrophobicContact CD1-CD1 3.62Å; L191-E325 HydrophobicContact CD2-CB 3.72Å; L191-L326 HydrophobicContact CD1-CD2 4.43Å
192P91.9Very high92.5Very high7 Ų740.7 Ų40.75%0.04521%0.21CC..Hα-helixtrans-52.3-41.4169.2-31.635.4000114.7S189 F196 L272 R275 Y312S189-P192 VanDerWaalsContact O-CD 3.25Å; S189-P192 WeakPolarHBondContact O-CD 3.34Å; P192-F196 WeakPolarHBondContact O-CB 3.39Å; P192-F196 PolarHBondContact O-N 2.72Å; P192-L272 HydrophobicContact CB-CD2 3.98Å; P192-L272 HydrophobicContact CB-CG 4.16Å; P192-R275 PolarHBondContact O-NH2 2.93Å; P192-Y312 HydrophobicContact CB-CE2 4.44Å; P192-Y312 HydrophobicContact CG-CD1 3.83Å; P192-Y312 HydrophobicContact CG-CD2 3.42Å; P192-Y312 VanDerWaalsContact CG-CD2 3.42Å; P192-Y312 HydrophobicContact CG-CE1 3.81Å; P192-Y312 HydrophobicContact CG-CE2 3.4Å; P192-Y312 HydrophobicContact CG-CG 3.64Å
193I95.4Very high92.7Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-61.5-52.8177-68.7158.7000110.2M183 S189 L191 F196 V197 D219 I222 L223 Y226 L272M183-I193 HydrophobicContact CE-CD1 3.78Å; M183-I193 HydrophobicContact CE-CG1 3.78Å; M183-I193 HydrophobicContact SD-CG1 4.37Å; S189-I193 WeakPolarHBondContact O-CB 3.45Å; S189-I193 WeakPolarHBondContact O-CD1 3.47Å; S189-I193 WeakPolarHBondContact O-CG1 3.37Å; S189-I193 PolarHBondContact O-N 2.76Å; L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 PolarHBondContact O-N 3.16Å; I193-F196 PolarHBondContact O-N 3.08Å; I193-V197 WeakPolarHBondContact O-CG2 3.34Å; I193-V197 PolarHBondContact O-N 3.05Å; I193-D219 HydrophobicContact CD1-CB 4.17Å; I193-I222 HydrophobicContact CB-CG2 4.25Å; I193-I222 HydrophobicContact CG2-CG2 3.75Å; I193-L223 HydrophobicContact CD1-CD1 4.4Å; I193-L223 HydrophobicContact CD1-CD2 4.11Å; I193-L223 HydrophobicContact CD1-CG 4.03Å; I193-L223 HydrophobicContact CG1-CD2 4.33Å; I193-L223 HydrophobicContact CG2-CD2 3.74Å; I193-L223 HydrophobicContact CG2-CG 4.48Å; I193-Y226 HydrophobicContact CG2-CD2 4.33Å; I193-Y226 HydrophobicContact CG2-CE2 4.28Å; I193-L272 HydrophobicContact CG1-CD1 4.19Å; I193-L272 HydrophobicContact CG1-CD2 4.45Å
194I95.2Very high93.1Very high51 Ų5141.7 Ų41.726%0.26222%0.22SC..Hα-helixtrans-60-52.4-179.5-65.3167.8000110.1W190 L191 F196 V197 E198 I222 Y226W190-I194 HydrophobicContact CE3-CD1 3.76Å; W190-I194 HydrophobicContact CZ3-CD1 4Å; W190-I194 WeakPolarHBondContact O-CG1 3.2Å; W190-I194 PolarHBondContact O-N 2.95Å; L191-I194 PolarHBondContact O-N 3.01Å; I194-F196 VanDerWaalsContact C-N 3.25Å; I194-F196 PolarHBondContact O-N 3.28Å; I194-V197 PolarHBondContact O-N 3.25Å; I194-E198 HydrophobicContact CG2-CG 4.15Å; I194-E198 WeakPolarHBondContact O-CB 3.44Å; I194-E198 WeakPolarHBondContact O-CG 3.43Å; I194-E198 PolarHBondContact O-N 2.77Å; I194-I222 HydrophobicContact CD1-CD1 4.36Å; I194-I222 HydrophobicContact CD1-CG2 4.17Å; I194-I222 HydrophobicContact CG1-CG2 3.65Å; I194-Y226 HydrophobicContact CG1-CE2 4.26Å
195D92.4Very high93.7Very high10 Ų1038.5 Ų38.55%0.05321%0.209CC..Hα-helixtrans-61.8-34.5-179.6-179.888000111.8L191 H199 R275 I327 R381L191-D195 WeakPolarHBondContact O-CB 2.97Å; L191-D195 PolarHBondContact O-N 3.43Å; D195-H199 WeakPolarHBondContact O-CB 3.25Å; D195-H199 PolarHBondContact O-N 3.45Å; D195-R275 PolarHBondContact O-NE 3.03Å; D195-R275 IonicContact OD2-CZ 2.77Å; D195-R275 IonicContact OD2-NE 3.18Å; D195-R275 PolarHBondContact OD2-NE 2.97Å; D195-R275 IonicContact OD2-NH2 3.33Å; D195-R275 PolarHBondContact OD2-NH2 2.87Å; D195-I327 HydrophobicContact CB-CD1 4.21Å; D195-R381 IonicContact OD1-NH1 3.1Å; D195-R381 IonicContact OD2-CZ 2.95Å; D195-R381 IonicContact OD2-NH1 2.72Å; D195-R381 PolarHBondContact OD2-NH1 3.15Å
196F95.3Very high94.4Very high0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-67-51.2176.2177.3-89.2000112V178 V180 P192 I193 I194 N200 F208 F210 I270 D271 L272 E274 R275V178-F196 HydrophobicContact CG1-CE1 4.13Å; V178-F196 HydrophobicContact CG1-CZ 3.62Å; V180-F196 HydrophobicContact CB-CZ 4.49Å; V180-F196 HydrophobicContact CG1-CE1 4.34Å; V180-F196 HydrophobicContact CG1-CZ 4.18Å; V180-F196 HydrophobicContact CG2-CD1 4.44Å; V180-F196 HydrophobicContact CG2-CE1 3.42Å; V180-F196 VanDerWaalsContact CG2-CE1 3.42Å; V180-F196 HydrophobicContact CG2-CZ 3.68Å; P192-F196 WeakPolarHBondContact O-CB 3.39Å; P192-F196 PolarHBondContact O-N 2.72Å; I193-F196 PolarHBondContact O-N 3.08Å; I194-F196 VanDerWaalsContact C-N 3.25Å; I194-F196 PolarHBondContact O-N 3.28Å; F196-N200 WeakPolarHBondContact O-CB 3.27Å; F196-N200 PolarHBondContact O-N 2.72Å; F196-N200 VanDerWaalsContact O-N 3.12Å; F196-N200 PolarHBondContact O-ND2 2.7Å; F196-F208 HydrophobicContact CD1-CD1 4.38Å; F196-F208 HydrophobicContact CD1-CE1 4.32Å; F196-F208 AromaticContact CE1-CD1 3.8Å; F196-F208 HydrophobicContact CE1-CD1 3.8Å; F196-F208 AromaticContact CE1-CE1 3.93Å; F196-F208 HydrophobicContact CE1-CE1 3.93Å; F196-F210 AromaticContact CD1-CZ 3.98Å; F196-F210 HydrophobicContact CD1-CZ 3.98Å; F196-F210 HydrophobicContact CE1-CZ 4.19Å; F196-I270 HydrophobicContact CE2-CD1 3.56Å; F196-I270 HydrophobicContact CE2-CG1 3.8Å; F196-I270 HydrophobicContact CZ-CD1 3.75Å; F196-I270 HydrophobicContact CZ-CG1 3.79Å; F196-D271 VanDerWaalsContact CE2-O 3.24Å; F196-D271 WeakPolarHBondContact CE2-O 3.32Å; F196-L272 HydrophobicContact CB-CD1 3.93Å; F196-L272 HydrophobicContact CD1-CD1 4.46Å; F196-L272 HydrophobicContact CD2-CD1 4.45Å; F196-L272 WeakPolarHBondContact CD2-O 3.3Å; F196-L272 HydrophobicContact CG-CD1 4.06Å; F196-E274 WeakPolarHBondContact CD2-O 3.28Å; F196-E274 WeakPolarHBondContact CE2-O 3.49Å; F196-R275 VanDerWaalsContact CA-CZ 3.42Å; F196-R275 VanDerWaalsContact N-NH2 3.19Å
197V97.6Very high95.1Very high0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-64.9-52.3-177.5173.70000109.8I193 I194 H199 N200 K201 F208 F210 Y226 I232I193-V197 WeakPolarHBondContact O-CG2 3.34Å; I193-V197 PolarHBondContact O-N 3.05Å; I194-V197 PolarHBondContact O-N 3.25Å; V197-H199 PolarHBondContact O-N 3.42Å; V197-N200 PolarHBondContact O-N 3.1Å; V197-K201 HydrophobicContact CG1-CD 3.84Å; V197-K201 HydrophobicContact CG1-CG 4.5Å; V197-K201 VanDerWaalsContact O-CG 3.3Å; V197-K201 WeakPolarHBondContact O-CG 3.26Å; V197-K201 PolarHBondContact O-N 2.95Å; V197-F208 HydrophobicContact CG1-CD2 4.21Å; V197-F208 HydrophobicContact CG1-CE2 3.89Å; V197-F208 HydrophobicContact CG1-CZ 4.19Å; V197-F208 WeakPolarHBondContact O-CZ 3.32Å; V197-F210 HydrophobicContact CG2-CE2 3.92Å; V197-F210 HydrophobicContact CG2-CZ 3.96Å; V197-Y226 HydrophobicContact CB-CE1 4.13Å; V197-Y226 HydrophobicContact CB-CE2 4.23Å; V197-Y226 HydrophobicContact CG1-CD1 3.86Å; V197-Y226 HydrophobicContact CG1-CE1 3.49Å; V197-Y226 VanDerWaalsContact CG1-CE1 3.49Å; V197-Y226 HydrophobicContact CG1-CE2 4.42Å; V197-Y226 HydrophobicContact CG1-CG 4.47Å; V197-Y226 HydrophobicContact CG2-CD2 4.44Å; V197-Y226 HydrophobicContact CG2-CE2 4.3Å; V197-I232 HydrophobicContact CG2-CG2 4.41Å
198E95.9Very high95.7Very high78 Ų7827.5 Ų27.536%0.36415%0.148SC..Hα-helixtrans-64.2-42-177.1-63.2-50.713700112.4I194 K201 L202 Y226I194-E198 HydrophobicContact CG2-CG 4.15Å; I194-E198 WeakPolarHBondContact O-CB 3.44Å; I194-E198 WeakPolarHBondContact O-CG 3.43Å; I194-E198 PolarHBondContact O-N 2.77Å; E198-K201 WeakPolarHBondContact O-CB 3.32Å; E198-K201 PolarHBondContact O-N 3.38Å; E198-L202 WeakPolarHBondContact O-CG 3.35Å; E198-L202 PolarHBondContact O-N 3.13Å; E198-L202 VanDerWaalsContact O-N 3.16Å; E198-Y226 VanDerWaalsContact OE1-CE1 3.24Å; E198-Y226 WeakPolarHBondContact OE1-CE1 3.44Å; E198-Y226 PolarHBondContact OE1-OH 3.05Å
199H94.8Very high96Very high37 Ų3726.1 Ų26.117%0.17114%0.139CC..Hα-helixtrans-62.7-47.6177.5-179.8101.3000111.7D195 V197 K201 L202 E203 L276D195-H199 WeakPolarHBondContact O-CB 3.25Å; D195-H199 PolarHBondContact O-N 3.45Å; V197-H199 PolarHBondContact O-N 3.42Å; H199-K201 VanDerWaalsContact C-N 3.26Å; H199-K201 PolarHBondContact O-N 2.97Å; H199-L202 WeakPolarHBondContact O-CB 3.5Å; H199-L202 PolarHBondContact O-N 3.21Å; H199-L202 VanDerWaalsContact O-N 3.1Å; H199-E203 PolarHBondContact O-N 2.96Å; H199-L276 PolarHBondContact CD2-O 2.9Å; H199-L276 PolarHBondContact NE2-O 3.42Å
200N97.1Very high96.2Very high0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-70.3-25.1-178.4-72.7-70.6000111.9V178 F196 V197 E203 G204 A205 F208 L276V178-N200 HydrophobicContact CG2-CB 4.47Å; F196-N200 WeakPolarHBondContact O-CB 3.27Å; F196-N200 PolarHBondContact O-N 2.72Å; F196-N200 VanDerWaalsContact O-N 3.12Å; F196-N200 PolarHBondContact O-ND2 2.7Å; V197-N200 PolarHBondContact O-N 3.1Å; N200-E203 CarbonylContact O-C 3.59Å; N200-E203 PolarHBondContact O-N 2.87Å; N200-G204 PolarHBondContact O-N 2.76Å; N200-A205 HydrophobicContact CB-CB 4.16Å; N200-A205 WeakPolarHBondContact O-CB 3.32Å; N200-A205 PolarHBondContact O-N 2.9Å; N200-F208 HydrophobicContact CB-CE1 3.75Å; N200-F208 HydrophobicContact CB-CZ 3.87Å; N200-L276 WeakPolarHBondContact OD1-CB 3.46Å; N200-L276 VanDerWaalsContact OD1-CG 3.27Å; N200-L276 WeakPolarHBondContact OD1-CG 3.48Å; N200-L276 PolarHBondContact OD1-N 2.84Å
201K97.5Very high96.3Very high69 Ų6925 Ų2530%0.313%0.133SC..Hα-helixtrans-62.7-39.9167.9-75171.871162.50112.1V197 E198 H199 E203 G204 A205 F208 D231V197-K201 HydrophobicContact CG1-CD 3.84Å; V197-K201 HydrophobicContact CG1-CG 4.5Å; V197-K201 VanDerWaalsContact O-CG 3.3Å; V197-K201 WeakPolarHBondContact O-CG 3.26Å; V197-K201 PolarHBondContact O-N 2.95Å; E198-K201 WeakPolarHBondContact O-CB 3.32Å; E198-K201 PolarHBondContact O-N 3.38Å; H199-K201 VanDerWaalsContact C-N 3.26Å; H199-K201 PolarHBondContact O-N 2.97Å; K201-E203 PolarHBondContact O-N 3.2Å; K201-G204 WeakPolarHBondContact O-CA 3.49Å; K201-G204 PolarHBondContact O-N 2.94Å; K201-A205 WeakPolarHBondContact CA-O 3.33Å; K201-F208 HydrophobicContact CD-CE2 4.28Å; K201-F208 HydrophobicContact CG-CE2 3.78Å; K201-F208 HydrophobicContact CG-CZ 4Å; K201-D231 VanDerWaalsContact NZ-CG 3.35Å; K201-D231 IonicContact NZ-OD1 3.65Å; K201-D231 PolarHBondContact NZ-OD1 3.39Å; K201-D231 IonicContact NZ-OD2 3.71Å; K201-D231 PolarHBondContact NZ-OD2 2.97Å
202L95.9Very high96.3Very high135 Ų13525 Ų2571%0.70713%0.133SC*.Hα-helixtrans-62.8-29.1173.6-64.1172.7000112.5E198 H199 G204 T283E198-L202 WeakPolarHBondContact O-CG 3.35Å; E198-L202 PolarHBondContact O-N 3.13Å; E198-L202 VanDerWaalsContact O-N 3.16Å; H199-L202 WeakPolarHBondContact O-CB 3.5Å; H199-L202 PolarHBondContact O-N 3.21Å; H199-L202 VanDerWaalsContact O-N 3.1Å; L202-G204 PolarHBondContact O-N 2.79Å; L202-T283 VanDerWaalsContact O-CG2 3.22Å; L202-T283 WeakPolarHBondContact O-CG2 3.06Å
203E97Very high96.2Very high19 Ų1925.1 Ų25.19%0.08914%0.136CC..THydrogen-bonded Turntrans-82.10.7174.1-66.9-68.9170.700113.5H199 N200 K201 L276 S277 T278 M284 I285H199-E203 PolarHBondContact O-N 2.96Å; N200-E203 CarbonylContact O-C 3.59Å; N200-E203 PolarHBondContact O-N 2.87Å; K201-E203 PolarHBondContact O-N 3.2Å; E203-L276 HydrophobicContact CB-CB 4.22Å; E203-L276 HydrophobicContact CG-CB 4.1Å; E203-L276 WeakPolarHBondContact CG-O 3.45Å; E203-S277 WeakPolarHBondContact OE1-CA 3.46Å; E203-T278 PolarHBondContact OE1-N 3.45Å; E203-M284 HydrophobicContact CB-CB 3.95Å; E203-M284 WeakPolarHBondContact O-CB 3.17Å; E203-M284 PolarHBondContact O-N 2.85Å; E203-M284 PolarHBondContact OE2-N 2.87Å; E203-I285 PolarHBondContact O-N 2.85Å; E203-I285 VanDerWaalsContact O-N 3.09Å
204G97.6Very high95.8Very high24 Ų2433.1 Ų33.125%0.24717%0.173CC..THydrogen-bonded Turntrans95.29.3175.700000115.3N200 K201 L202N200-G204 PolarHBondContact O-N 2.76Å; K201-G204 WeakPolarHBondContact O-CA 3.49Å; K201-G204 PolarHBondContact O-N 2.94Å; L202-G204 PolarHBondContact O-N 2.79Å
205A98.4Very high95.6Very high5 Ų531.8 Ų31.84%0.04117%0.166CC..  trans-67.2137.6168.800000110.2L176 V178 N200 K201 F208L176-A205 HydrophobicContact CD2-CB 4.27Å; L176-A205 HydrophobicContact CG-CB 4.21Å; L176-A205 WeakPolarHBondContact O-CA 3.23Å; V178-A205 HydrophobicContact CG2-CB 3.79Å; N200-A205 HydrophobicContact CB-CB 4.16Å; N200-A205 WeakPolarHBondContact O-CB 3.32Å; N200-A205 PolarHBondContact O-N 2.9Å; K201-A205 WeakPolarHBondContact CA-O 3.33Å; A205-F208 HydrophobicContact CB-CE1 4.29Å; A205-F208 HydrophobicContact CB-CE2 4.36Å; A205-F208 HydrophobicContact CB-CZ 3.79Å
206S98.2Very high95.7Very high51 Ų5134.2 Ų34.236%0.35718%0.175SC..  trans-120.9-6.2-175.959.80000113.9H174 L176H174-S206 WeakPolarHBondContact CB-OG 2.99Å; H174-S206 PolarHBondContact ND1-OG 2.9Å; L176-S206 PolarHBondContact O-N 2.88Å; L176-S206 PolarHBondContact O-OG 3.49Å
207Y98.6Very high95.7Very high38 Ų3840.6 Ų40.615%0.14921%0.209CC..EExtended strand (participates in β ladder)trans-157.2149.3180-155.7-106.9000111.5H174 S177 V178 Y209 G230 D231 E233 H263H174-Y207 AromaticContact CD2-CG 3.84Å; H174-Y207 AromaticContact CE1-CD2 3.58Å; H174-Y207 AromaticContact CE1-CG 3.82Å; H174-Y207 AromaticContact NE2-CD2 3.43Å; H174-Y207 WeakPolarHBondContact NE2-CD2 3.47Å; H174-Y207 AromaticContact NE2-CG 3.49Å; S177-Y207 CarbonylContact C-O 3.54Å; S177-Y207 WeakPolarHBondContact CA-O 3.48Å; S177-Y207 VanDerWaalsContact CB-O 3.24Å; S177-Y207 WeakPolarHBondContact CB-O 3.27Å; V178-Y207 PolarHBondContact N-O 2.88Å; Y207-Y209 HydrophobicContact CD1-CD1 4.24Å; Y207-Y209 AromaticContact CD1-CE1 3.73Å; Y207-Y209 HydrophobicContact CD1-CE1 3.73Å; Y207-Y209 HydrophobicContact CD1-CE2 4.32Å; Y207-Y209 AromaticContact CD1-CZ 3.78Å; Y207-Y209 HydrophobicContact CE1-CD1 4Å; Y207-Y209 AromaticContact CE1-CE1 3.55Å; Y207-Y209 HydrophobicContact CE1-CE1 3.55Å; Y207-G230 WeakPolarHBondContact CE2-O 3.49Å; Y207-D231 WeakPolarHBondContact CA-O 3.31Å; Y207-E233 HydrophobicContact CE1-CB 3.78Å; Y207-H263 AromaticContact CD1-CE1 3.84Å; Y207-H263 AromaticContact CE1-CE1 3.67Å
208F98.7Very high95.6Very high0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-136133.5-173.5-63.6-95.5000111V178 F196 V197 N200 K201 A205 F210 D231 I232 E233V178-F208 HydrophobicContact CB-CD1 3.69Å; V178-F208 HydrophobicContact CB-CE1 3.95Å; V178-F208 HydrophobicContact CG1-CD1 4.45Å; V178-F208 HydrophobicContact CG2-CD1 4.03Å; V178-F208 HydrophobicContact CG2-CE1 3.77Å; V178-F208 CarbonylContact O-C 3.56Å; V178-F208 WeakPolarHBondContact O-CA 3.36Å; F196-F208 HydrophobicContact CD1-CD1 4.38Å; F196-F208 HydrophobicContact CD1-CE1 4.32Å; F196-F208 AromaticContact CE1-CD1 3.8Å; F196-F208 HydrophobicContact CE1-CD1 3.8Å; F196-F208 AromaticContact CE1-CE1 3.93Å; F196-F208 HydrophobicContact CE1-CE1 3.93Å; V197-F208 HydrophobicContact CG1-CD2 4.21Å; V197-F208 HydrophobicContact CG1-CE2 3.89Å; V197-F208 HydrophobicContact CG1-CZ 4.19Å; V197-F208 WeakPolarHBondContact O-CZ 3.32Å; N200-F208 HydrophobicContact CB-CE1 3.75Å; N200-F208 HydrophobicContact CB-CZ 3.87Å; K201-F208 HydrophobicContact CD-CE2 4.28Å; K201-F208 HydrophobicContact CG-CE2 3.78Å; K201-F208 HydrophobicContact CG-CZ 4Å; A205-F208 HydrophobicContact CB-CE1 4.29Å; A205-F208 HydrophobicContact CB-CE2 4.36Å; A205-F208 HydrophobicContact CB-CZ 3.79Å; F208-F210 HydrophobicContact CB-CD2 4Å; F208-F210 HydrophobicContact CB-CE2 3.85Å; F208-F210 HydrophobicContact CD1-CE2 4.45Å; F208-F210 HydrophobicContact CG-CE2 4.42Å; F208-D231 WeakPolarHBondContact CD2-O 3.36Å; F208-D231 PolarHBondContact N-O 3.27Å; F208-I232 HydrophobicContact CB-CB 4.22Å; F208-I232 HydrophobicContact CB-CG2 3.77Å; F208-I232 HydrophobicContact CD2-CG2 4.49Å; F208-I232 HydrophobicContact CG-CG2 4.39Å; F208-I232 CarbonylContact O-C 3.55Å; F208-I232 VanDerWaalsContact O-CA 3.28Å; F208-I232 WeakPolarHBondContact O-CA 3.38Å; F208-E233 PolarHBondContact O-N 3.31Å
209Y98.3Very high95.5Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-105.3108173.1-51.1-80.3000108.8S177 V178 V180 Y207 E233 C256 R259 S260 H263 S264S177-Y209 WeakPolarHBondContact OG-CE2 3.13Å; V178-Y209 PolarHBondContact O-N 2.99Å; V180-Y209 PolarHBondContact N-O 2.96Å; Y207-Y209 HydrophobicContact CD1-CD1 4.24Å; Y207-Y209 AromaticContact CD1-CE1 3.73Å; Y207-Y209 HydrophobicContact CD1-CE1 3.73Å; Y207-Y209 HydrophobicContact CD1-CE2 4.32Å; Y207-Y209 AromaticContact CD1-CZ 3.78Å; Y207-Y209 HydrophobicContact CE1-CD1 4Å; Y207-Y209 AromaticContact CE1-CE1 3.55Å; Y207-Y209 HydrophobicContact CE1-CE1 3.55Å; Y209-E233 HydrophobicContact CD1-CB 4.08Å; Y209-E233 WeakPolarHBondContact CE1-OE2 3.31Å; Y209-C256 WeakPolarHBondContact CB-SG 3.43Å; Y209-C256 VanDerWaalsContact CD2-SG 3.59Å; Y209-R259 HydrophobicContact CD1-CG 3.82Å; Y209-R259 HydrophobicContact CE1-CG 3.67Å; Y209-S260 WeakPolarHBondContact OH-CA 3.32Å; Y209-H263 AromaticContact CZ-ND1 3.76Å; Y209-H263 PolarHBondContact OH-ND1 3.06Å; Y209-S264 PolarHBondContact OH-OG 3.34Å
210F97.8Very high95.6Very high0 Ų040.1 Ų40.10%020%0.204CC..EExtended strand (participates in β ladder)trans-97.6139176.6-87.1-99.5000110.5V180 M183 F196 V197 F208 L223 I232 E233 L234 V235 L272V180-F210 HydrophobicContact CB-CD1 4.31Å; V180-F210 HydrophobicContact CB-CE1 4.33Å; V180-F210 HydrophobicContact CB-CG 4.49Å; V180-F210 HydrophobicContact CG1-CD1 4.38Å; V180-F210 HydrophobicContact CG1-CE1 4.08Å; V180-F210 HydrophobicContact CG1-CZ 4.46Å; V180-F210 HydrophobicContact CG2-CD1 4.3Å; V180-F210 HydrophobicContact CG2-CD2 3.95Å; V180-F210 HydrophobicContact CG2-CE1 4.11Å; V180-F210 HydrophobicContact CG2-CE2 3.73Å; V180-F210 HydrophobicContact CG2-CG 4.24Å; V180-F210 HydrophobicContact CG2-CZ 3.82Å; M183-F210 HydrophobicContact SD-CD1 3.71Å; M183-F210 HydrophobicContact SD-CE1 3.67Å; F196-F210 AromaticContact CD1-CZ 3.98Å; F196-F210 HydrophobicContact CD1-CZ 3.98Å; F196-F210 HydrophobicContact CE1-CZ 4.19Å; V197-F210 HydrophobicContact CG2-CE2 3.92Å; V197-F210 HydrophobicContact CG2-CZ 3.96Å; F208-F210 HydrophobicContact CB-CD2 4Å; F208-F210 HydrophobicContact CB-CE2 3.85Å; F208-F210 HydrophobicContact CD1-CE2 4.45Å; F208-F210 HydrophobicContact CG-CE2 4.42Å; F210-L223 HydrophobicContact CD1-CD2 3.66Å; F210-L223 HydrophobicContact CE1-CD2 3.85Å; F210-L223 HydrophobicContact CG-CD2 4.01Å; F210-L223 HydrophobicContact CZ-CD2 4.35Å; F210-I232 HydrophobicContact CB-CD1 4.49Å; F210-I232 HydrophobicContact CD2-CB 4.05Å; F210-I232 HydrophobicContact CD2-CD1 4.15Å; F210-I232 HydrophobicContact CD2-CG2 3.9Å; F210-I232 HydrophobicContact CE2-CG2 3.9Å; F210-I232 HydrophobicContact CG-CD1 4.4Å; F210-E233 PolarHBondContact N-O 3.19Å; F210-L234 HydrophobicContact CB-CD1 3.62Å; F210-V235 PolarHBondContact O-N 3.33Å; F210-L272 HydrophobicContact CE1-CD1 4.17Å
211Y95.4Very high95.5Very high0 Ų046.7 Ų46.70%023%0.233CC..EExtended strand (participates in β ladder)trans-123.5117.9176.4-71.4-100.5000108.3P182 M183 V235 L237 Q252 D255 C256 R259P182-Y211 WeakPolarHBondContact CA-O 3.4Å; M183-Y211 PolarHBondContact N-O 2.9Å; Y211-V235 WeakPolarHBondContact CA-O 3.37Å; Y211-V235 HydrophobicContact CD1-CB 3.61Å; Y211-V235 HydrophobicContact CD1-CG1 3.74Å; Y211-V235 HydrophobicContact CD1-CG2 4.2Å; Y211-V235 HydrophobicContact CE1-CB 3.71Å; Y211-V235 HydrophobicContact CE1-CG1 3.71Å; Y211-V235 HydrophobicContact CE1-CG2 3.83Å; Y211-V235 HydrophobicContact CG-CB 4.17Å; Y211-L237 HydrophobicContact CD1-CD1 4.21Å; Y211-L237 HydrophobicContact CD1-CD2 3.95Å; Y211-L237 HydrophobicContact CD1-CG 4.2Å; Y211-L237 HydrophobicContact CG-CD1 4.47Å; Y211-Q252 HydrophobicContact CD1-CB 4.05Å; Y211-Q252 HydrophobicContact CD1-CG 3.65Å; Y211-Q252 HydrophobicContact CD2-CB 4.45Å; Y211-Q252 HydrophobicContact CD2-CG 3.24Å; Y211-Q252 HydrophobicContact CE1-CB 4.41Å; Y211-Q252 HydrophobicContact CE1-CG 4.01Å; Y211-Q252 HydrophobicContact CE2-CG 3.65Å; Y211-Q252 HydrophobicContact CG-CB 4.07Å; Y211-Q252 HydrophobicContact CG-CG 3.25Å; Y211-D255 HydrophobicContact CE1-CB 4.07Å; Y211-D255 VanDerWaalsContact CE1-OD2 3.31Å; Y211-D255 WeakPolarHBondContact CE1-OD2 3.17Å; Y211-D255 PolarHBondContact OH-OD2 3.24Å; Y211-C256 HydrophobicContact CE2-CB 3.75Å; Y211-C256 VanDerWaalsContact OH-CA 3.25Å; Y211-C256 WeakPolarHBondContact OH-CA 3.45Å; Y211-C256 WeakPolarHBondContact OH-CB 3.33Å; Y211-C256 PolarHBondContact OH-N 3.25Å; Y211-R259 PolarHBondContact OH-NE 2.76Å
212V93.1Very high95.5Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-133.1135-172.4-54.10000111.4M183 I215 L223 L234 V235 K236 L237M183-V212 HydrophobicContact CB-CG1 4.19Å; M183-V212 WeakPolarHBondContact O-CA 2.98Å; M183-V212 HydrophobicContact SD-CG1 4.49Å; V212-I215 HydrophobicContact CB-CD1 4.35Å; V212-I215 HydrophobicContact CG1-CD1 4.42Å; V212-L223 HydrophobicContact CG1-CD1 3.75Å; V212-L234 HydrophobicContact CB-CD1 4.29Å; V212-L234 HydrophobicContact CG1-CD1 3.66Å; V212-L234 HydrophobicContact CG2-CD1 3.62Å; V212-L234 HydrophobicContact CG2-CD2 4.26Å; V212-L234 HydrophobicContact CG2-CG 4.08Å; V212-V235 PolarHBondContact N-O 3.25Å; V212-K236 HydrophobicContact CG2-CD 3.75Å; V212-K236 VanDerWaalsContact CG2-NZ 3.32Å; V212-K236 CarbonylContact O-C 3.59Å; V212-K236 WeakPolarHBondContact O-CA 3.42Å; V212-L237 PolarHBondContact O-N 2.92Å
213G89.4Confident95.6Very high11 Ų1138.4 Ų38.411%0.11319%0.192CC..EExtended strand (participates in β ladder)trans-92.6-131.2164.600000111.9M183 I215M183-G213 PolarHBondContact O-N 3.12Å; G213-I215 PolarHBondContact O-N 3.32Å
214E88.3Confident95.6Very high168 Ų16841.2 Ų41.279%0.78521%0.208SC*.EExtended strand (participates in β ladder)trans-75.8119171.8-63.8-176.8179.100109.9G185G185-E214 PolarHBondContact N-O 2.82Å
215I91.4Very high95.6Very high23 Ų2343.6 Ų43.612%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-137.1167.817763169.9000109.3M183 V212 G213 D219 Q220 L223M183-I215 HydrophobicContact CB-CG2 4.48Å; V212-I215 HydrophobicContact CB-CD1 4.35Å; V212-I215 HydrophobicContact CG1-CD1 4.42Å; G213-I215 PolarHBondContact O-N 3.32Å; I215-D219 HydrophobicContact CD1-CB 4.3Å; I215-Q220 HydrophobicContact CD1-CB 4.33Å; I215-L223 HydrophobicContact CD1-CD1 3.64Å
216R93.4Very high95.6Very high60 Ų6044.2 Ų44.223%0.22622%0.216CC..  trans-63.4143.9177.6-68.1169.351.4160.4-4.4112N186 Y218 D219 Q220 D314N186-R216 HydrophobicContact CB-CG 4.47Å; N186-R216 WeakPolarHBondContact O-CD 3.12Å; R216-Y218 PolarHBondContact O-N 2.76Å; R216-Y218 VanDerWaalsContact O-N 3.13Å; R216-D219 HydrophobicContact CB-CB 4.48Å; R216-D219 PolarHBondContact O-N 3.46Å; R216-Q220 PolarHBondContact O-N 2.95Å; R216-D314 IonicContact CZ-OD1 2.79Å; R216-D314 IonicContact NH1-OD1 3.79Å; R216-D314 PolarHBondContact NH1-OD1 3.27Å; R216-D314 PolarHBondContact NH2-O 3.12Å; R216-D314 IonicContact NH2-OD1 2.7Å
217D94.6Very high95.6Very high134 Ų13444.9 Ų44.972%0.71722%0.218SC*.Hα-helixtrans-54.9-33.7173.6-68.7-11.6000113.1K221D217-K221 VanDerWaalsContact O-CG 3.31Å; D217-K221 WeakPolarHBondContact O-CG 3.25Å; D217-K221 PolarHBondContact O-N 2.81Å; D217-K221 VanDerWaalsContact O-N 3.12Å
218Y95.5Very high95.6Very high76 Ų7651.2 Ų51.230%0.29824%0.241SC..Hα-helixtrans-67.8-41.5179-165.2-99.5000111.8W190 R216 K221 K315 Y316W190-Y218 HydrophobicContact CB-CD1 3.74Å; W190-Y218 HydrophobicContact CB-CE1 3.76Å; W190-Y218 AromaticContact CD1-CD1 3.96Å; W190-Y218 AromaticContact CD1-CE1 3.8Å; W190-Y218 AromaticContact CD2-CE1 3.89Å; W190-Y218 HydrophobicContact CD2-CE1 3.89Å; W190-Y218 AromaticContact CG-CD1 3.84Å; W190-Y218 HydrophobicContact CG-CD1 3.84Å; W190-Y218 AromaticContact CG-CE1 3.52Å; W190-Y218 HydrophobicContact CG-CE1 3.52Å; R216-Y218 PolarHBondContact O-N 2.76Å; R216-Y218 VanDerWaalsContact O-N 3.13Å; Y218-K221 PolarHBondContact O-N 3.15Å; Y218-K315 HydrophobicContact CE1-CB 4.29Å; Y218-Y316 PolarHBondContact OH-N 2.88Å
219D95.3Very high95.5Very high0 Ų054.4 Ų54.40%026%0.261CS..Hα-helixtrans-72.1-37.3177.7-58.1-23.9000110.6S189 W190 I193 I215 R216 K221 I222 L223S189-D219 PolarHBondContact N-OD1 2.87Å; S189-D219 PolarHBondContact N-OD2 3.39Å; S189-D219 WeakPolarHBondContact OG-CB 3.36Å; S189-D219 PolarHBondContact OG-OD2 2.83Å; W190-D219 WeakPolarHBondContact CB-OD1 3.24Å; W190-D219 PolarHBondContact N-OD1 3.46Å; I193-D219 HydrophobicContact CD1-CB 4.17Å; I215-D219 HydrophobicContact CD1-CB 4.3Å; R216-D219 HydrophobicContact CB-CB 4.48Å; R216-D219 PolarHBondContact O-N 3.46Å; D219-K221 VanDerWaalsContact C-N 3.3Å; D219-K221 PolarHBondContact O-N 3.1Å; D219-I222 WeakPolarHBondContact O-CB 3.36Å; D219-I222 PolarHBondContact O-N 3.37Å; D219-I222 VanDerWaalsContact O-N 3.14Å; D219-L223 PolarHBondContact O-N 3.49Å
220Q95.4Very high95.4Very high30 Ų3056.5 Ų56.514%0.1428%0.282CS..Hα-helixtrans-56.9-43173.6-17658.34500111.9I215 R216 I222 L223 D224 L234I215-Q220 HydrophobicContact CD1-CB 4.33Å; R216-Q220 PolarHBondContact O-N 2.95Å; Q220-I222 VanDerWaalsContact C-N 3.26Å; Q220-I222 PolarHBondContact O-N 3.43Å; Q220-L223 PolarHBondContact O-N 2.99Å; Q220-D224 PolarHBondContact NE2-OD1 3.25Å; Q220-D224 VanDerWaalsContact O-CG 3.22Å; Q220-D224 PolarHBondContact O-N 3.43Å; Q220-L234 VanDerWaalsContact NE2-CD2 3.29Å
221K96.4Very high95.4Very high137 Ų13757.8 Ų57.860%0.59629%0.289SS*.Hα-helixtrans-59.8-35.2177.7-74.9169.1-175.9178.10113D217 Y218 D219 D225D217-K221 VanDerWaalsContact O-CG 3.31Å; D217-K221 WeakPolarHBondContact O-CG 3.25Å; D217-K221 PolarHBondContact O-N 2.81Å; D217-K221 VanDerWaalsContact O-N 3.12Å; Y218-K221 PolarHBondContact O-N 3.15Å; D219-K221 VanDerWaalsContact C-N 3.3Å; D219-K221 PolarHBondContact O-N 3.1Å; K221-D225 PolarHBondContact O-N 2.86Å
222I96.9Very high95.5Very high31 Ų3158 Ų5816%0.15929%0.291CS..Hα-helixtrans-68.4-45.3176.5-59.1-49.4000110.5W190 I193 I194 D219 Q220 D224 D225 Y226W190-I222 HydrophobicContact CB-CG1 3.79Å; I193-I222 HydrophobicContact CB-CG2 4.25Å; I193-I222 HydrophobicContact CG2-CG2 3.75Å; I194-I222 HydrophobicContact CD1-CD1 4.36Å; I194-I222 HydrophobicContact CD1-CG2 4.17Å; I194-I222 HydrophobicContact CG1-CG2 3.65Å; D219-I222 WeakPolarHBondContact O-CB 3.36Å; D219-I222 PolarHBondContact O-N 3.37Å; D219-I222 VanDerWaalsContact O-N 3.14Å; Q220-I222 VanDerWaalsContact C-N 3.26Å; Q220-I222 PolarHBondContact O-N 3.43Å; I222-D224 VanDerWaalsContact C-N 3.34Å; I222-D224 PolarHBondContact O-N 3.28Å; I222-D225 WeakPolarHBondContact O-CB 3.15Å; I222-D225 PolarHBondContact O-N 3.09Å; I222-Y226 HydrophobicContact CG2-CD2 4.16Å; I222-Y226 HydrophobicContact CG2-CE2 3.99Å; I222-Y226 WeakPolarHBondContact O-CD2 3.35Å; I222-Y226 PolarHBondContact O-N 2.94Å
223L97.3Very high95.7Very high0 Ų060.1 Ų60.10%030%0.301CS..Hα-helixtrans-61.9-43.3176.5-66.4171.3000111.4I193 F210 V212 I215 D219 Q220 D225 Y226 V227 I232 L234I193-L223 HydrophobicContact CD1-CD1 4.4Å; I193-L223 HydrophobicContact CD1-CD2 4.11Å; I193-L223 HydrophobicContact CD1-CG 4.03Å; I193-L223 HydrophobicContact CG1-CD2 4.33Å; I193-L223 HydrophobicContact CG2-CD2 3.74Å; I193-L223 HydrophobicContact CG2-CG 4.48Å; F210-L223 HydrophobicContact CD1-CD2 3.66Å; F210-L223 HydrophobicContact CE1-CD2 3.85Å; F210-L223 HydrophobicContact CG-CD2 4.01Å; F210-L223 HydrophobicContact CZ-CD2 4.35Å; V212-L223 HydrophobicContact CG1-CD1 3.75Å; I215-L223 HydrophobicContact CD1-CD1 3.64Å; D219-L223 PolarHBondContact O-N 3.49Å; Q220-L223 PolarHBondContact O-N 2.99Å; L223-D225 PolarHBondContact O-N 2.04Å; L223-Y226 PolarHBondContact O-N 2.84Å; L223-Y226 VanDerWaalsContact O-N 3.12Å; L223-V227 WeakPolarHBondContact O-CG2 3.37Å; L223-V227 PolarHBondContact O-N 3.24Å; L223-I232 HydrophobicContact CB-CD1 3.94Å; L223-I232 HydrophobicContact CD2-CD1 3.72Å; L223-I232 HydrophobicContact CG-CD1 4.45Å; L223-I232 VanDerWaalsContact O-CD1 3.27Å; L223-I232 WeakPolarHBondContact O-CD1 3.33Å; L223-L234 HydrophobicContact CB-CD2 4.29Å; L223-L234 HydrophobicContact CD1-CD1 4.01Å
224D97.5Very high96.1Very high77 Ų7761.5 Ų61.541%0.41231%0.305SS..Hα-helixtrans-59.9-33.4177.5-68.1-20000112Q220 I222 V227 R228Q220-D224 PolarHBondContact NE2-OD1 3.25Å; Q220-D224 VanDerWaalsContact O-CG 3.22Å; Q220-D224 PolarHBondContact O-N 3.43Å; I222-D224 VanDerWaalsContact C-N 3.34Å; I222-D224 PolarHBondContact O-N 3.28Å; D224-V227 PolarHBondContact O-N 3.49Å; D224-R228 WeakPolarHBondContact O-CB 3.49Å; D224-R228 PolarHBondContact O-N 3.38Å
225D97.8Very high96.4Very high74 Ų7454.1 Ų54.140%0.39627%0.271SS..Hα-helixtrans-67.2-42.8175.2-159.761.4000112.1K221 I222 L223 V227 R228 T229K221-D225 PolarHBondContact O-N 2.86Å; I222-D225 WeakPolarHBondContact O-CB 3.15Å; I222-D225 PolarHBondContact O-N 3.09Å; L223-D225 PolarHBondContact O-N 2.04Å; D225-V227 VanDerWaalsContact C-N 3.33Å; D225-V227 PolarHBondContact O-N 3.39Å; D225-R228 VanDerWaalsContact CG-NH2 3.31Å; D225-R228 WeakPolarHBondContact O-CB 3.27Å; D225-R228 PolarHBondContact O-N 3.15Å; D225-R228 IonicContact OD1-CZ 3.21Å; D225-R228 IonicContact OD1-NE 2.95Å; D225-R228 PolarHBondContact OD1-NE 2.91Å; D225-R228 IonicContact OD1-NH2 2.66Å; D225-R228 PolarHBondContact OD1-NH2 2.89Å; D225-R228 IonicContact OD2-NH2 3.31Å; D225-R228 PolarHBondContact OD2-NH2 3.47Å; D225-T229 PolarHBondContact O-N 3.48Å
226Y98.3Very high96.4Very high19 Ų1956.9 Ų56.98%0.07528%0.283CS..Hα-helixtrans-69.8-28174.4-76.8-64.6000113.4I193 I194 V197 E198 I222 L223 R228 T229 G230 D231 I232I193-Y226 HydrophobicContact CG2-CD2 4.33Å; I193-Y226 HydrophobicContact CG2-CE2 4.28Å; I194-Y226 HydrophobicContact CG1-CE2 4.26Å; V197-Y226 HydrophobicContact CB-CE1 4.13Å; V197-Y226 HydrophobicContact CB-CE2 4.23Å; V197-Y226 HydrophobicContact CG1-CD1 3.86Å; V197-Y226 HydrophobicContact CG1-CE1 3.49Å; V197-Y226 VanDerWaalsContact CG1-CE1 3.49Å; V197-Y226 HydrophobicContact CG1-CE2 4.42Å; V197-Y226 HydrophobicContact CG1-CG 4.47Å; V197-Y226 HydrophobicContact CG2-CD2 4.44Å; V197-Y226 HydrophobicContact CG2-CE2 4.3Å; E198-Y226 VanDerWaalsContact OE1-CE1 3.24Å; E198-Y226 WeakPolarHBondContact OE1-CE1 3.44Å; E198-Y226 PolarHBondContact OE1-OH 3.05Å; I222-Y226 HydrophobicContact CG2-CD2 4.16Å; I222-Y226 HydrophobicContact CG2-CE2 3.99Å; I222-Y226 WeakPolarHBondContact O-CD2 3.35Å; I222-Y226 PolarHBondContact O-N 2.94Å; L223-Y226 PolarHBondContact O-N 2.84Å; L223-Y226 VanDerWaalsContact O-N 3.12Å; Y226-R228 VanDerWaalsContact C-N 3.34Å; Y226-T229 WeakPolarHBondContact CA-OG1 3.36Å; Y226-T229 PolarHBondContact O-OG1 3.23Å; Y226-G230 PolarHBondContact O-N 2.82Å; Y226-D231 HydrophobicContact CD1-CB 3.95Å; Y226-D231 PolarHBondContact O-N 3.14Å; Y226-I232 HydrophobicContact CG-CG2 4.22Å; Y226-I232 PolarHBondContact O-N 3.16Å
227V98.3Very high96.1Very high64 Ų6454.4 Ų54.439%0.38827%0.273SS..Hα-helixtrans-65.4-44.8169.9171.50000108.8L223 D224 D225 T229 G230 I232 L234L223-V227 WeakPolarHBondContact O-CG2 3.37Å; L223-V227 PolarHBondContact O-N 3.24Å; D224-V227 PolarHBondContact O-N 3.49Å; D225-V227 VanDerWaalsContact C-N 3.33Å; D225-V227 PolarHBondContact O-N 3.39Å; V227-T229 VanDerWaalsContact C-N 3.31Å; V227-T229 PolarHBondContact O-N 2.92Å; V227-G230 PolarHBondContact O-N 3.02Å; V227-I232 HydrophobicContact CB-CG1 4.35Å; V227-I232 HydrophobicContact CG2-CD1 3.84Å; V227-I232 HydrophobicContact CG2-CG1 3.54Å; V227-L234 HydrophobicContact CG2-CB 3.79Å
228R97.9Very high95.2Very high172 Ų17255.1 Ų55.165%0.64927%0.273SS*.Hα-helixtrans-62.5-34.9179.3-178.7-169.963.968.20.8112.5D224 D225 Y226 G230D224-R228 WeakPolarHBondContact O-CB 3.49Å; D224-R228 PolarHBondContact O-N 3.38Å; D225-R228 VanDerWaalsContact CG-NH2 3.31Å; D225-R228 WeakPolarHBondContact O-CB 3.27Å; D225-R228 PolarHBondContact O-N 3.15Å; D225-R228 IonicContact OD1-CZ 3.21Å; D225-R228 IonicContact OD1-NE 2.95Å; D225-R228 PolarHBondContact OD1-NE 2.91Å; D225-R228 IonicContact OD1-NH2 2.66Å; D225-R228 PolarHBondContact OD1-NH2 2.89Å; D225-R228 IonicContact OD2-NH2 3.31Å; D225-R228 PolarHBondContact OD2-NH2 3.47Å; Y226-R228 VanDerWaalsContact C-N 3.34Å; R228-G230 VanDerWaalsContact C-N 3.28Å
229T97Very high94Very high66 Ų6653.5 Ų53.541%0.40527%0.269SS..Hα-helixtrans-78.4-12.3175.357.80000113.5D225 Y226 V227 D231D225-T229 PolarHBondContact O-N 3.48Å; Y226-T229 WeakPolarHBondContact CA-OG1 3.36Å; Y226-T229 PolarHBondContact O-OG1 3.23Å; V227-T229 VanDerWaalsContact C-N 3.31Å; V227-T229 PolarHBondContact O-N 2.92Å; T229-D231 VanDerWaalsContact C-N 3.31Å; T229-D231 WeakPolarHBondContact CB-OD2 3.38Å; T229-D231 PolarHBondContact OG1-OD2 2.92Å
230G97.1Very high92.6Very high44 Ų4460.8 Ų60.845%0.45430%0.301SS..THydrogen-bonded Turntrans78.114.6-176.200000113.8Y207 Y226 V227 R228Y207-G230 WeakPolarHBondContact CE2-O 3.49Å; Y226-G230 PolarHBondContact O-N 2.82Å; V227-G230 PolarHBondContact O-N 3.02Å; R228-G230 VanDerWaalsContact C-N 3.28Å
231D97.6Very high91.2Very high28 Ų2862.2 Ų62.215%0.1531%0.305CS..SBendtrans-77.7-33.7176.7-71.2-64000111.7K201 Y207 F208 Y226 T229K201-D231 VanDerWaalsContact NZ-CG 3.35Å; K201-D231 IonicContact NZ-OD1 3.65Å; K201-D231 PolarHBondContact NZ-OD1 3.39Å; K201-D231 IonicContact NZ-OD2 3.71Å; K201-D231 PolarHBondContact NZ-OD2 2.97Å; Y207-D231 WeakPolarHBondContact CA-O 3.31Å; F208-D231 WeakPolarHBondContact CD2-O 3.36Å; F208-D231 PolarHBondContact N-O 3.27Å; Y226-D231 HydrophobicContact CD1-CB 3.95Å; Y226-D231 PolarHBondContact O-N 3.14Å; T229-D231 VanDerWaalsContact C-N 3.31Å; T229-D231 WeakPolarHBondContact CB-OD2 3.38Å; T229-D231 PolarHBondContact OG1-OD2 2.92Å
232I97.8Very high89.7Confident5 Ų563.4 Ų63.43%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-123.6146.7-174.982.4168.1000112.3V197 F208 F210 L223 Y226 V227V197-I232 HydrophobicContact CG2-CG2 4.41Å; F208-I232 HydrophobicContact CB-CB 4.22Å; F208-I232 HydrophobicContact CB-CG2 3.77Å; F208-I232 HydrophobicContact CD2-CG2 4.49Å; F208-I232 HydrophobicContact CG-CG2 4.39Å; F208-I232 CarbonylContact O-C 3.55Å; F208-I232 VanDerWaalsContact O-CA 3.28Å; F208-I232 WeakPolarHBondContact O-CA 3.38Å; F210-I232 HydrophobicContact CB-CD1 4.49Å; F210-I232 HydrophobicContact CD2-CB 4.05Å; F210-I232 HydrophobicContact CD2-CD1 4.15Å; F210-I232 HydrophobicContact CD2-CG2 3.9Å; F210-I232 HydrophobicContact CE2-CG2 3.9Å; F210-I232 HydrophobicContact CG-CD1 4.4Å; L223-I232 HydrophobicContact CB-CD1 3.94Å; L223-I232 HydrophobicContact CD2-CD1 3.72Å; L223-I232 HydrophobicContact CG-CD1 4.45Å; L223-I232 VanDerWaalsContact O-CD1 3.27Å; L223-I232 WeakPolarHBondContact O-CD1 3.33Å; Y226-I232 HydrophobicContact CG-CG2 4.22Å; Y226-I232 PolarHBondContact O-N 3.16Å; V227-I232 HydrophobicContact CB-CG1 4.35Å; V227-I232 HydrophobicContact CG2-CD1 3.84Å; V227-I232 HydrophobicContact CG2-CG1 3.54Å
233E97.5Very high88.4Confident44 Ų4462.5 Ų62.521%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-102.7123.4159.9-16917116800109.1Y207 F208 Y209 F210 R259Y207-E233 HydrophobicContact CE1-CB 3.78Å; F208-E233 PolarHBondContact O-N 3.31Å; Y209-E233 HydrophobicContact CD1-CB 4.08Å; Y209-E233 WeakPolarHBondContact CE1-OE2 3.31Å; F210-E233 PolarHBondContact N-O 3.19Å; E233-R259 IonicContact OE1-CZ 2.64Å; E233-R259 IonicContact OE1-NE 3.01Å; E233-R259 IonicContact OE1-NH1 3.7Å; E233-R259 PolarHBondContact OE1-NH1 2.59Å
234L96.4Very high87.1Confident40 Ų4065.3 Ų65.321%0.20932%0.324CS..EExtended strand (participates in β ladder)trans-103.8116.9-178-171.365.4000111.3F210 V212 Q220 L223 V227F210-L234 HydrophobicContact CB-CD1 3.62Å; V212-L234 HydrophobicContact CB-CD1 4.29Å; V212-L234 HydrophobicContact CG1-CD1 3.66Å; V212-L234 HydrophobicContact CG2-CD1 3.62Å; V212-L234 HydrophobicContact CG2-CD2 4.26Å; V212-L234 HydrophobicContact CG2-CG 4.08Å; Q220-L234 VanDerWaalsContact NE2-CD2 3.29Å; L223-L234 HydrophobicContact CB-CD2 4.29Å; L223-L234 HydrophobicContact CD1-CD1 4.01Å; V227-L234 HydrophobicContact CG2-CB 3.79Å
235V95.3Very high85.9Confident12 Ų1267.4 Ų67.47%0.07333%0.33CS..EExtended strand (participates in β ladder)trans-102.7120.3175.1-175.10000109.5L86 F210 Y211 V212 L237L86-V235 HydrophobicContact CD1-CG1 4.23Å; F210-V235 PolarHBondContact O-N 3.33Å; Y211-V235 WeakPolarHBondContact CA-O 3.37Å; Y211-V235 HydrophobicContact CD1-CB 3.61Å; Y211-V235 HydrophobicContact CD1-CG1 3.74Å; Y211-V235 HydrophobicContact CD1-CG2 4.2Å; Y211-V235 HydrophobicContact CE1-CB 3.71Å; Y211-V235 HydrophobicContact CE1-CG1 3.71Å; Y211-V235 HydrophobicContact CE1-CG2 3.83Å; Y211-V235 HydrophobicContact CG-CB 4.17Å; V212-V235 PolarHBondContact N-O 3.25Å; V235-L237 HydrophobicContact CG1-CD2 4.43Å
236K91.3Very high85Confident82 Ų8267 Ų6736%0.35733%0.327SS..EExtended strand (participates in β ladder)trans-83.3117.5175.6-69.8-75.7169.9-178.70110.2V212 Q238V212-K236 HydrophobicContact CG2-CD 3.75Å; V212-K236 VanDerWaalsContact CG2-NZ 3.32Å; V212-K236 CarbonylContact O-C 3.59Å; V212-K236 WeakPolarHBondContact O-CA 3.42Å; K236-Q238 PolarHBondContact O-N 2.79Å
237L86.2Confident84.1Confident7 Ų766 Ų664%0.03732%0.323CS..  trans-88.783.9175-66.6-175.3000108.9P182 Y184 Y211 V212 V235 W248 L251P182-L237 HydrophobicContact CB-CD1 4Å; P182-L237 HydrophobicContact CG-CD1 4.06Å; Y184-L237 HydrophobicContact CE1-CB 4.49Å; Y184-L237 VanDerWaalsContact OH-CB 3.22Å; Y184-L237 WeakPolarHBondContact OH-CB 3.25Å; Y184-L237 WeakPolarHBondContact OH-CD1 3.42Å; Y211-L237 HydrophobicContact CD1-CD1 4.21Å; Y211-L237 HydrophobicContact CD1-CD2 3.95Å; Y211-L237 HydrophobicContact CD1-CG 4.2Å; Y211-L237 HydrophobicContact CG-CD1 4.47Å; V212-L237 PolarHBondContact O-N 2.92Å; V235-L237 HydrophobicContact CG1-CD2 4.43Å; L237-W248 HydrophobicContact CB-CD2 4.22Å; L237-W248 HydrophobicContact CB-CE3 3.85Å; L237-W248 HydrophobicContact CB-CH2 4.07Å; L237-W248 HydrophobicContact CB-CZ2 4.43Å; L237-W248 HydrophobicContact CB-CZ3 3.79Å; L237-W248 HydrophobicContact CD1-CB 4.31Å; L237-W248 HydrophobicContact CD1-CD2 4.32Å; L237-W248 HydrophobicContact CD1-CE3 3.92Å; L237-W248 HydrophobicContact CD2-CE3 3.91Å; L237-W248 HydrophobicContact CD2-CZ3 3.84Å; L237-W248 HydrophobicContact CG-CE3 4.11Å; L237-W248 HydrophobicContact CG-CZ3 4.27Å; L237-L251 HydrophobicContact CD2-CD2 4.45Å
238Q77.3Confident83.4Confident150 Ų15063.9 Ų63.970%0.70131%0.308SS*.  trans-116.4136.2173.7-68-178.4-11.300109.2K236K236-Q238 PolarHBondContact O-N 2.79Å
239D69.3Low82.9Confident42 Ų4256.6 Ų56.623%0.22528%0.282CS..  trans-141.7154.9172.6-169.65.7000109.1I100 Y241 R243 W248I100-D239 HydrophobicContact CG2-CB 4.25Å; D239-Y241 PolarHBondContact O-N 2.82Å; D239-R243 IonicContact OD2-CZ 2.7Å; D239-R243 IonicContact OD2-NE 3.05Å; D239-R243 PolarHBondContact OD2-NE 3.24Å; D239-R243 IonicContact OD2-NH2 2.73Å; D239-R243 PolarHBondContact OD2-NH2 2.62Å; D239-W248 HydrophobicContact CB-CH2 3.72Å; D239-W248 HydrophobicContact CB-CZ2 4.08Å
240K65.7Low82.5Confident153 Ų15356.1 Ų56.167%0.66528%0.276SS*.SBendtrans-63.3-25.1171.9-172.4-175.6176.5-1690111.4E82E82-K240 IonicContact OE1-NZ 4Å; E82-K240 PolarHBondContact OE1-NZ 2.71Å; E82-K240 IonicContact OE2-NZ 3.3Å; E82-K240 PolarHBondContact OE2-NZ 2.99Å
241Y65.9Low82Confident60 Ų6054.1 Ų54.124%0.23526%0.255CS..SBendtrans-105.6138.2-179.7-56.2-77.5000111.5N80 E82 D239 R243N80-Y241 HydrophobicContact CB-CD1 4.49Å; N80-Y241 HydrophobicContact CB-CE1 4.33Å; E82-Y241 HydrophobicContact CB-CE2 4.11Å; E82-Y241 HydrophobicContact CG-CE2 4.4Å; E82-Y241 VanDerWaalsContact CG-OH 3.24Å; E82-Y241 WeakPolarHBondContact CG-OH 2.92Å; E82-Y241 PolarHBondContact OE1-OH 2.89Å; E82-Y241 VanDerWaalsContact OE1-OH 3.13Å; E82-Y241 PolarHBondContact OE2-OH 3.49Å; D239-Y241 PolarHBondContact O-N 2.82Å; Y241-R243 PolarHBondContact O-N 3.18Å
242H65.8Low81.8Confident162 Ų16252.8 Ų52.875%0.7525%0.248SC*.  trans-65.9132.5170.3178.9-83000110.4H78H78-H242 PolarHBondContact CE1-O 3.21Å
243R69.3Low81.5Confident12 Ų1252.7 Ų52.75%0.04525%0.247CC..  trans-120142.9179.5-70.3178.6-176.4-111.8-7.1111.7H78 I100 D239 Y241 A247 W248H78-R243 VanDerWaalsContact CE1-CA 3.5Å; H78-R243 WeakPolarHBondContact CE1-CA 3.34Å; H78-R243 WeakPolarHBondContact NE2-CA 3.45Å; I100-R243 PolarHBondContact O-NH1 3.38Å; I100-R243 PolarHBondContact O-NH2 2.76Å; D239-R243 IonicContact OD2-CZ 2.7Å; D239-R243 IonicContact OD2-NE 3.05Å; D239-R243 PolarHBondContact OD2-NE 3.24Å; D239-R243 IonicContact OD2-NH2 2.73Å; D239-R243 PolarHBondContact OD2-NH2 2.62Å; Y241-R243 PolarHBondContact O-N 3.18Å; R243-A247 HydrophobicContact CB-CB 4.35Å; R243-W248 HydrophobicContact CB-CD2 4.27Å; R243-W248 HydrophobicContact CB-CG 4.38Å; R243-W248 HydrophobicContact CB-CZ2 4.19Å; R243-W248 HydrophobicContact CG-CZ2 4.27Å
244V70.5Confident81.3Confident59 Ų5951.4 Ų51.436%0.35824%0.241SC..  trans-71.2151170.9-63.90000109.9L77 H78 I246 A247L77-V244 HydrophobicContact CB-CG2 4.38Å; L77-V244 HydrophobicContact CD2-CG2 4.31Å; H78-V244 PolarHBondContact CE1-N 2.83Å; H78-V244 VanDerWaalsContact CE1-N 3.27Å; H78-V244 WeakPolarHBondContact NE2-CG2 3.24Å; H78-V244 PolarHBondContact NE2-N 2.89Å; V244-I246 VanDerWaalsContact C-N 3.28Å; V244-I246 HydrophobicContact CG2-CG2 3.68Å; V244-I246 PolarHBondContact O-N 2.81Å; V244-I246 VanDerWaalsContact O-N 3.16Å; V244-A247 HydrophobicContact CG2-CB 4.07Å; V244-A247 VanDerWaalsContact O-CB 3.28Å; V244-A247 WeakPolarHBondContact O-CB 3.24Å; V244-A247 PolarHBondContact O-N 3.24Å
245F71.4Confident81.2Confident121 Ų12149.5 Ų49.553%0.53123%0.231SC..Hα-helixtrans-50.2-44.5-175176.3-100.3000114Y184 A247 W248 H249Y184-F245 AromaticContact CD2-CD2 3.93Å; Y184-F245 HydrophobicContact CD2-CD2 3.93Å; Y184-F245 HydrophobicContact CD2-CE2 4.01Å; Y184-F245 HydrophobicContact CE2-CD2 4.38Å; F245-A247 VanDerWaalsContact C-N 3.25Å; F245-A247 PolarHBondContact O-N 3.16Å; F245-W248 PolarHBondContact O-N 2.79Å; F245-H249 PolarHBondContact O-N 3.46Å
246I78.5Confident81.3Confident64 Ų6449 Ų4933%0.32823%0.228SC..Hα-helixtrans-63-31.1-179.2-170.262.1000113L77 V244 W248 H249 L250 I356L77-I246 HydrophobicContact CD1-CG2 3.95Å; L77-I246 HydrophobicContact CD2-CG2 4.01Å; V244-I246 VanDerWaalsContact C-N 3.28Å; V244-I246 HydrophobicContact CG2-CG2 3.68Å; V244-I246 PolarHBondContact O-N 2.81Å; V244-I246 VanDerWaalsContact O-N 3.16Å; I246-W248 VanDerWaalsContact C-N 3.35Å; I246-H249 PolarHBondContact O-N 2.97Å; I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 3.41Å; I246-L250 VanDerWaalsContact O-N 3.1Å; I246-I356 HydrophobicContact CD1-CD1 3.64Å
247A80.4Confident81.5Confident0 Ų045.6 Ų45.60%021%0.213CC..Hα-helixtrans-66.4-39.2178.500000111.6Q102 R243 V244 F245 L251Q102-A247 VanDerWaalsContact NE2-CA 3.27Å; Q102-A247 PolarHBondContact NE2-O 3.49Å; R243-A247 HydrophobicContact CB-CB 4.35Å; V244-A247 HydrophobicContact CG2-CB 4.07Å; V244-A247 VanDerWaalsContact O-CB 3.28Å; V244-A247 WeakPolarHBondContact O-CB 3.24Å; V244-A247 PolarHBondContact O-N 3.24Å; F245-A247 VanDerWaalsContact C-N 3.25Å; F245-A247 PolarHBondContact O-N 3.16Å; A247-L251 PolarHBondContact O-N 3.48Å; A247-L251 VanDerWaalsContact O-N 3.15Å
248W83.9Confident82Confident19 Ų1945.9 Ų45.97%0.07222%0.215CC..Hα-helixtrans-67.9-39.6175.2-74.4128.5000112.8I100 Y184 L237 D239 R243 F245 I246 L250 L251 Q252I100-W248 HydrophobicContact CG2-CZ3 4.46Å; Y184-W248 AromaticContact CE1-CD1 3.99Å; Y184-W248 HydrophobicContact CE1-CG 4.44Å; Y184-W248 HydrophobicContact CE2-CB 3.95Å; Y184-W248 HydrophobicContact CE2-CG 4.14Å; Y184-W248 AromaticContact CZ-CD1 3.52Å; Y184-W248 AromaticContact CZ-CG 3.64Å; Y184-W248 AromaticContact CZ-NE1 3.94Å; Y184-W248 WeakPolarHBondContact OH-CB 3.4Å; Y184-W248 VanDerWaalsContact OH-CD1 3.23Å; L237-W248 HydrophobicContact CB-CD2 4.22Å; L237-W248 HydrophobicContact CB-CE3 3.85Å; L237-W248 HydrophobicContact CB-CH2 4.07Å; L237-W248 HydrophobicContact CB-CZ2 4.43Å; L237-W248 HydrophobicContact CB-CZ3 3.79Å; L237-W248 HydrophobicContact CD1-CB 4.31Å; L237-W248 HydrophobicContact CD1-CD2 4.32Å; L237-W248 HydrophobicContact CD1-CE3 3.92Å; L237-W248 HydrophobicContact CD2-CE3 3.91Å; L237-W248 HydrophobicContact CD2-CZ3 3.84Å; L237-W248 HydrophobicContact CG-CE3 4.11Å; L237-W248 HydrophobicContact CG-CZ3 4.27Å; D239-W248 HydrophobicContact CB-CH2 3.72Å; D239-W248 HydrophobicContact CB-CZ2 4.08Å; R243-W248 HydrophobicContact CB-CD2 4.27Å; R243-W248 HydrophobicContact CB-CG 4.38Å; R243-W248 HydrophobicContact CB-CZ2 4.19Å; R243-W248 HydrophobicContact CG-CZ2 4.27Å; F245-W248 PolarHBondContact O-N 2.79Å; I246-W248 VanDerWaalsContact C-N 3.35Å; W248-L250 VanDerWaalsContact C-N 3.35Å; W248-L250 PolarHBondContact O-N 3.39Å; W248-L251 HydrophobicContact CE3-CD2 3.82Å; W248-L251 HydrophobicContact CZ3-CD2 3.66Å; W248-L251 PolarHBondContact O-N 2.9Å; W248-Q252 VanDerWaalsContact O-CB 3.32Å; W248-Q252 WeakPolarHBondContact O-CB 3.45Å; W248-Q252 PolarHBondContact O-N 3.46Å
249H87.3Confident82.9Confident19 Ų1939.5 Ų39.59%0.08818%0.184CC..Hα-helixtrans-61-45.2176.6-159.3161.3000111.1F245 I246 L251 Q252 I253F245-H249 PolarHBondContact O-N 3.46Å; I246-H249 PolarHBondContact O-N 2.97Å; H249-L251 PolarHBondContact O-N 3Å; H249-Q252 PolarHBondContact O-N 3.35Å; H249-I253 VanDerWaalsContact CD2-CD1 3.44Å; H249-I253 WeakPolarHBondContact CD2-CD1 3.32Å; H249-I253 WeakPolarHBondContact O-CD1 3.44Å; H249-I253 VanDerWaalsContact O-CG1 3.31Å; H249-I253 WeakPolarHBondContact O-CG1 3.24Å; H249-I253 PolarHBondContact O-N 2.89Å
250L87.3Confident84.3Confident55 Ų5537.5 Ų37.529%0.28817%0.174SC..Hα-helixtrans-62.5-42.4177-67.2174.9000112.6I246 W248 I253 Q254 I356I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 3.41Å; I246-L250 VanDerWaalsContact O-N 3.1Å; W248-L250 VanDerWaalsContact C-N 3.35Å; W248-L250 PolarHBondContact O-N 3.39Å; L250-I253 PolarHBondContact O-N 3.26Å; L250-Q254 WeakPolarHBondContact O-CG 3.27Å; L250-Q254 PolarHBondContact O-N 3.33Å; L250-I356 HydrophobicContact CD2-CD1 4.43Å; L250-I356 HydrophobicContact CD2-CG1 4.29Å
251L88Confident85.7Confident2 Ų230.5 Ų30.51%0.0114%0.144CC..Hα-helixtrans-62.5-46.7175.7178.265.2000111.4L86 T98 L99 I100 L237 A247 W248 H249 I253 Q254 D255L86-L251 HydrophobicContact CD2-CD2 4.36Å; L86-L251 HydrophobicContact CD2-CG 4.38Å; T98-L251 HydrophobicContact CG2-CD1 3.94Å; L99-L251 WeakPolarHBondContact O-CD1 3.42Å; I100-L251 HydrophobicContact CG2-CD2 4.14Å; L237-L251 HydrophobicContact CD2-CD2 4.45Å; A247-L251 PolarHBondContact O-N 3.48Å; A247-L251 VanDerWaalsContact O-N 3.15Å; W248-L251 HydrophobicContact CE3-CD2 3.82Å; W248-L251 HydrophobicContact CZ3-CD2 3.66Å; W248-L251 PolarHBondContact O-N 2.9Å; H249-L251 PolarHBondContact O-N 3Å; L251-I253 VanDerWaalsContact C-N 3.32Å; L251-I253 PolarHBondContact O-N 3.15Å; L251-Q254 PolarHBondContact O-N 2.99Å; L251-D255 PolarHBondContact O-N 3.39Å
252Q92.5Very high87.1Confident1 Ų131 Ų311%0.00515%0.147CC..Hα-helixtrans-59.5-42.3179.5175.9-86.2-29.900111.8V180 P182 Y211 W248 H249 Q254 D255 C256V180-Q252 PolarHBondContact O-NE2 2.01Å; P182-Q252 HydrophobicContact CG-CB 3.48Å; P182-Q252 VanDerWaalsContact CG-CB 3.48Å; P182-Q252 HydrophobicContact CG-CG 3.78Å; Y211-Q252 HydrophobicContact CD1-CB 4.05Å; Y211-Q252 HydrophobicContact CD1-CG 3.65Å; Y211-Q252 HydrophobicContact CD2-CB 4.45Å; Y211-Q252 HydrophobicContact CD2-CG 3.24Å; Y211-Q252 HydrophobicContact CE1-CB 4.41Å; Y211-Q252 HydrophobicContact CE1-CG 4.01Å; Y211-Q252 HydrophobicContact CE2-CG 3.65Å; Y211-Q252 HydrophobicContact CG-CB 4.07Å; Y211-Q252 HydrophobicContact CG-CG 3.25Å; W248-Q252 VanDerWaalsContact O-CB 3.32Å; W248-Q252 WeakPolarHBondContact O-CB 3.45Å; W248-Q252 PolarHBondContact O-N 3.46Å; H249-Q252 PolarHBondContact O-N 3.35Å; Q252-Q254 PolarHBondContact O-N 3.14Å; Q252-D255 PolarHBondContact O-N 3.45Å; Q252-C256 WeakPolarHBondContact O-CB 3.26Å; Q252-C256 PolarHBondContact O-N 3.27Å
253I92.8Very high88.6Confident2 Ų224 Ų241%0.0111%0.114CC..Hα-helixtrans-60.8-46.4179.2-73.2158.5000111H249 L250 L251 H257 F269 M354 I356H249-I253 VanDerWaalsContact CD2-CD1 3.44Å; H249-I253 WeakPolarHBondContact CD2-CD1 3.32Å; H249-I253 WeakPolarHBondContact O-CD1 3.44Å; H249-I253 VanDerWaalsContact O-CG1 3.31Å; H249-I253 WeakPolarHBondContact O-CG1 3.24Å; H249-I253 PolarHBondContact O-N 2.89Å; L250-I253 PolarHBondContact O-N 3.26Å; L251-I253 VanDerWaalsContact C-N 3.32Å; L251-I253 PolarHBondContact O-N 3.15Å; I253-H257 WeakPolarHBondContact O-CB 3.44Å; I253-H257 PolarHBondContact O-N 3.22Å; I253-F269 HydrophobicContact CG1-CD1 4.44Å; I253-F269 HydrophobicContact CG2-CE1 4.34Å; I253-M354 HydrophobicContact CG2-CB 3.39Å; I253-M354 HydrophobicContact CG2-CG 4.47Å; I253-I356 HydrophobicContact CD1-CB 4Å; I253-I356 HydrophobicContact CD1-CG1 3.52Å; I253-I356 HydrophobicContact CD1-CG2 4.49Å
254Q92.2Very high90Very high18 Ų1823.4 Ų23.48%0.08411%0.112CC..Hα-helixtrans-68-44.5179.1-56.7-51.5-32.100111.2V135 L250 L251 Q252 C256 H257 L258 M354V135-Q254 HydrophobicContact CG2-CB 3.97Å; L250-Q254 WeakPolarHBondContact O-CG 3.27Å; L250-Q254 PolarHBondContact O-N 3.33Å; L251-Q254 PolarHBondContact O-N 2.99Å; Q252-Q254 PolarHBondContact O-N 3.14Å; Q254-C256 PolarHBondContact O-N 2.96Å; Q254-H257 PolarHBondContact O-N 3.38Å; Q254-L258 WeakPolarHBondContact O-CG 3.35Å; Q254-L258 PolarHBondContact O-N 3.49Å; Q254-L258 VanDerWaalsContact O-N 3.16Å; Q254-M354 PolarHBondContact NE2-O 2.88Å
255D95.3Very high91.3Very high0 Ų024.5 Ų24.50%011%0.112CC..Hα-helixtrans-62.8-45.4178.7-17161.1000111.6L86 Y89 T98 Y211 L251 Q252 L258 R259L86-D255 HydrophobicContact CD2-CB 3.87Å; Y89-D255 VanDerWaalsContact OH-CG 3.27Å; Y89-D255 PolarHBondContact OH-OD1 3.22Å; Y89-D255 PolarHBondContact OH-OD2 2.85Å; T98-D255 WeakPolarHBondContact CB-OD1 3.4Å; T98-D255 HydrophobicContact CG2-CB 3.91Å; T98-D255 PolarHBondContact OG1-OD1 3.17Å; Y211-D255 HydrophobicContact CE1-CB 4.07Å; Y211-D255 VanDerWaalsContact CE1-OD2 3.31Å; Y211-D255 WeakPolarHBondContact CE1-OD2 3.17Å; Y211-D255 PolarHBondContact OH-OD2 3.24Å; L251-D255 PolarHBondContact O-N 3.39Å; Q252-D255 PolarHBondContact O-N 3.45Å; D255-L258 PolarHBondContact O-N 2.95Å; D255-R259 VanDerWaalsContact O-CB 3.24Å; D255-R259 WeakPolarHBondContact O-CB 3.01Å; D255-R259 PolarHBondContact O-N 3.16Å; D255-R259 IonicContact OD1-NH2 3.83Å; D255-R259 IonicContact OD2-CZ 2.92Å; D255-R259 IonicContact OD2-NE 2.75Å; D255-R259 PolarHBondContact OD2-NE 2.77Å; D255-R259 IonicContact OD2-NH2 2.86Å; D255-R259 PolarHBondContact OD2-NH2 2.93Å
256C96.8Very high92.6Very high0 Ų018.8 Ų18.80%09%0.087CC..Hα-helixtrans-70.1-35.3-177.1-1570000111.8C179 Y209 Y211 Q252 Q254 L258 R259 S260 F269C179-C256 VanDerWaalsContact CA-SG 3.59Å; C179-C256 HydrophobicContact CB-CB 3.88Å; C179-C256 WeakPolarHBondContact CB-SG 2.96Å; C179-C256 WeakPolarHBondContact SG-CB 3.17Å; C179-C256 CovalentContact SG-SG 2.01Å; C179-C256 PolarHBondContact SG-SG 2.94Å; Y209-C256 WeakPolarHBondContact CB-SG 3.43Å; Y209-C256 VanDerWaalsContact CD2-SG 3.59Å; Y211-C256 HydrophobicContact CE2-CB 3.75Å; Y211-C256 VanDerWaalsContact OH-CA 3.25Å; Y211-C256 WeakPolarHBondContact OH-CA 3.45Å; Y211-C256 WeakPolarHBondContact OH-CB 3.33Å; Y211-C256 PolarHBondContact OH-N 3.25Å; Q252-C256 WeakPolarHBondContact O-CB 3.26Å; Q252-C256 PolarHBondContact O-N 3.27Å; Q254-C256 PolarHBondContact O-N 2.96Å; C256-L258 VanDerWaalsContact C-N 3.3Å; C256-L258 PolarHBondContact O-N 3.4Å; C256-R259 PolarHBondContact O-N 2.82Å; C256-S260 WeakPolarHBondContact O-CB 3.38Å; C256-S260 PolarHBondContact O-N 3.34Å; C256-S260 PolarHBondContact O-OG 2.91Å; C256-F269 HydrophobicContact CB-CE1 4.15Å; C256-F269 HydrophobicContact CB-CZ 4.5Å
257H96.1Very high93.6Very high11 Ų1115.8 Ų15.85%0.0517%0.071CC..Hα-helixtrans-56.8-44.4171.2172.7-138.1000111.6I253 Q254 A261 F269 S348 I351 M354I253-H257 WeakPolarHBondContact O-CB 3.44Å; I253-H257 PolarHBondContact O-N 3.22Å; Q254-H257 PolarHBondContact O-N 3.38Å; H257-A261 PolarHBondContact O-N 3.45Å; H257-F269 HydrophobicContact CB-CZ 4.2Å; H257-S348 PolarHBondContact NE2-O 3.35Å; H257-S348 WeakPolarHBondContact O-CB 3.33Å; H257-S348 PolarHBondContact O-OG 2.85Å; H257-I351 PolarHBondContact CE1-O 2.78Å; H257-I351 PolarHBondContact NE2-O 2.77Å; H257-M354 HydrophobicContact CB-CG 4.11Å
258L96.2Very high94.4Very high13 Ų1315.8 Ų15.87%0.0687%0.071CC..Hα-helixtrans-70.6-49.9174-62.5176.5000111.3Y89 Y91 V135 Q254 D255 C256 S260 A261Y89-L258 HydrophobicContact CD2-CB 3.72Å; Y89-L258 HydrophobicContact CD2-CD1 4.35Å; Y89-L258 HydrophobicContact CE2-CB 3.73Å; Y89-L258 HydrophobicContact CE2-CD1 4.4Å; Y89-L258 HydrophobicContact CG-CB 4.49Å; Y91-L258 VanDerWaalsContact OH-C 3.22Å; Y91-L258 VanDerWaalsContact OH-CA 3.24Å; Y91-L258 WeakPolarHBondContact OH-CA 3.31Å; Y91-L258 WeakPolarHBondContact OH-CB 3.27Å; Y91-L258 PolarHBondContact OH-O 3.43Å; V135-L258 HydrophobicContact CB-CD1 4.46Å; V135-L258 HydrophobicContact CG1-CD1 3.81Å; V135-L258 HydrophobicContact CG2-CD1 3.77Å; Q254-L258 WeakPolarHBondContact O-CG 3.35Å; Q254-L258 PolarHBondContact O-N 3.49Å; Q254-L258 VanDerWaalsContact O-N 3.16Å; D255-L258 PolarHBondContact O-N 2.95Å; C256-L258 VanDerWaalsContact C-N 3.3Å; C256-L258 PolarHBondContact O-N 3.4Å; L258-S260 PolarHBondContact O-N 2.91Å; L258-S260 VanDerWaalsContact O-N 3.13Å; L258-A261 WeakPolarHBondContact O-CB 3.2Å; L258-A261 PolarHBondContact O-N 3.19Å
259R96.8Very high95.1Very high16 Ų1615.3 Ų15.36%0.067%0.07CC..Hα-helixtrans-56-36.3-176.9-169.8178.7-63.7-80.5-2.6112.6Y89 R167 Y209 Y211 E233 D255 C256Y89-R259 HydrophobicContact CE1-CB 3.86Å; Y89-R259 HydrophobicContact CE1-CG 3.95Å; Y89-R259 PolarHBondContact OH-NE 2.68Å; Y89-R259 PolarHBondContact OH-NH2 2.63Å; R167-R259 VanDerWaalsContact CZ-O 3.23Å; R167-R259 PolarHBondContact NE-O 2.8Å; R167-R259 PolarHBondContact NH2-O 3.42Å; Y209-R259 HydrophobicContact CD1-CG 3.82Å; Y209-R259 HydrophobicContact CE1-CG 3.67Å; Y211-R259 PolarHBondContact OH-NE 2.76Å; E233-R259 IonicContact OE1-CZ 2.64Å; E233-R259 IonicContact OE1-NE 3.01Å; E233-R259 IonicContact OE1-NH1 3.7Å; E233-R259 PolarHBondContact OE1-NH1 2.59Å; D255-R259 VanDerWaalsContact O-CB 3.24Å; D255-R259 WeakPolarHBondContact O-CB 3.01Å; D255-R259 PolarHBondContact O-N 3.16Å; D255-R259 IonicContact OD1-NH2 3.83Å; D255-R259 IonicContact OD2-CZ 2.92Å; D255-R259 IonicContact OD2-NE 2.75Å; D255-R259 PolarHBondContact OD2-NE 2.77Å; D255-R259 IonicContact OD2-NH2 2.86Å; D255-R259 PolarHBondContact OD2-NH2 2.93Å; C256-R259 PolarHBondContact O-N 2.82Å
260S97.2Very high95.5Very high0 Ų014.5 Ų14.50%07%0.066CC..Hα-helixtrans-87.6-15.5-179.281.70000114.5Y209 C256 L258 Y262 H263 S264 T267 S348Y209-S260 WeakPolarHBondContact OH-CA 3.32Å; C256-S260 WeakPolarHBondContact O-CB 3.38Å; C256-S260 PolarHBondContact O-N 3.34Å; C256-S260 PolarHBondContact O-OG 2.91Å; L258-S260 PolarHBondContact O-N 2.91Å; L258-S260 VanDerWaalsContact O-N 3.13Å; S260-Y262 PolarHBondContact O-N 3.35Å; S260-H263 PolarHBondContact O-N 3.09Å; S260-S264 PolarHBondContact O-N 3.33Å; S260-T267 WeakPolarHBondContact CB-OG1 3.31Å; S260-T267 WeakPolarHBondContact OG-CG2 2.97Å; S260-T267 PolarHBondContact OG-OG1 3.17Å; S260-S348 PolarHBondContact OG-OG 3.13Å
261A96Very high95.8Very high6 Ų613.9 Ų13.95%0.056%0.063CC..THydrogen-bonded Turntrans-60.8129.2179.900000111.4Y91 R167 H257 L258 H263Y91-A261 HydrophobicContact CE1-CB 3.72Å; R167-A261 WeakPolarHBondContact CD-O 3.27Å; H257-A261 PolarHBondContact O-N 3.45Å; L258-A261 WeakPolarHBondContact O-CB 3.2Å; L258-A261 PolarHBondContact O-N 3.19Å; A261-H263 PolarHBondContact O-N 3.32Å
262Y95.6Very high96Very high71 Ų7115.2 Ų15.228%0.2787%0.07SC..THydrogen-bonded Turntrans61.2-16.2-173.2-55.2-89.4000115.8Y91 R167 F169 P172 S260 E349Y91-Y262 AromaticContact CD1-CD2 3.37Å; Y91-Y262 HydrophobicContact CD1-CD2 3.37Å; Y91-Y262 AromaticContact CD1-CE2 3.61Å; Y91-Y262 HydrophobicContact CD1-CE2 3.61Å; Y91-Y262 HydrophobicContact CD1-CG 4.48Å; Y91-Y262 AromaticContact CE1-CD2 3.73Å; Y91-Y262 HydrophobicContact CE1-CD2 3.73Å; Y91-Y262 HydrophobicContact CE1-CE2 4.17Å; Y91-Y262 HydrophobicContact CG-CD2 4.43Å; Y91-Y262 HydrophobicContact CG-CE2 4.29Å; R167-Y262 WeakPolarHBondContact O-CB 3.19Å; F169-Y262 WeakPolarHBondContact CD2-O 3.24Å; P172-Y262 WeakPolarHBondContact CA-O 3.47Å; S260-Y262 PolarHBondContact O-N 3.35Å; Y262-E349 HydrophobicContact CE1-CB 4.28Å; Y262-E349 HydrophobicContact CE2-CB 4.06Å
263H97.6Very high95.9Very high14 Ų1417.6 Ų17.67%0.0658%0.083CC..THydrogen-bonded Turntrans-75.8-37.5170-168.1-141.1000111F169 I173 H174 Y207 Y209 S260 A261F169-H263 HydrophobicContact CE2-CB 4.37Å; F169-H263 AromaticContact CE2-CD2 3.92Å; I173-H263 PolarHBondContact N-O 3.15Å; H174-H263 AromaticContact CD2-CD2 3.93Å; H174-H263 AromaticContact CD2-CE1 3.34Å; H174-H263 PolarHBondContact CD2-CE1 3.42Å; H174-H263 AromaticContact CD2-ND1 3.85Å; H174-H263 AromaticContact CD2-NE2 3.42Å; H174-H263 PolarHBondContact CD2-NE2 2.73Å; H174-H263 PolarHBondContact N-O 3.06Å; H174-H263 AromaticContact NE2-CE1 3.43Å; H174-H263 PolarHBondContact NE2-CE1 2.89Å; H174-H263 AromaticContact NE2-NE2 3.43Å; H174-H263 PolarHBondContact NE2-NE2 2.78Å; Y207-H263 AromaticContact CD1-CE1 3.84Å; Y207-H263 AromaticContact CE1-CE1 3.67Å; Y209-H263 AromaticContact CZ-ND1 3.76Å; Y209-H263 PolarHBondContact OH-ND1 3.06Å; S260-H263 PolarHBondContact O-N 3.09Å; A261-H263 PolarHBondContact O-N 3.32Å
264S98.1Very high95.8Very high0 Ų017.8 Ų17.80%08%0.083CC..EExtended strand (participates in β ladder)trans-126.2136.7-178.7-53.10000111.7H174 S177 Y209 S260H174-S264 CarbonylContact O-C 3.58Å; H174-S264 VanDerWaalsContact O-CA 3.23Å; H174-S264 WeakPolarHBondContact O-CA 3.07Å; S177-S264 WeakPolarHBondContact CB-OG 3.38Å; S177-S264 WeakPolarHBondContact OG-CB 3.44Å; S177-S264 PolarHBondContact OG-OG 3.45Å; Y209-S264 PolarHBondContact OH-OG 3.34Å; S260-S264 PolarHBondContact O-N 3.33Å
265K97.8Very high95.8Very high82 Ų8216.9 Ų16.936%0.3578%0.079SC..EExtended strand (participates in β ladder)trans-68.5-45.6174.3-177.6-176-179.4-179.90111P172 H174 E175 K347P172-K265 HydrophobicContact CB-CB 4.01Å; P172-K265 VanDerWaalsContact CB-N 3.33Å; P172-K265 HydrophobicContact CG-CB 3.91Å; H174-K265 PolarHBondContact O-N 3.13Å; E175-K265 HydrophobicContact CG-CB 4.45Å; E175-K265 HydrophobicContact CG-CD 3.89Å; E175-K265 WeakPolarHBondContact O-CB 3.31Å; E175-K265 IonicContact OE1-NZ 3.41Å; K265-K347 WeakPolarHBondContact O-CG 3.32Å
266W98.5Very high95.8Very high2 Ų216.9 Ų16.91%0.0088%0.079CC..EExtended strand (participates in β ladder)trans-123.4140174.3-64.9106.3000110.4E175 L176 S177 L288 I291 V296 V299 I345 I346 K347E175-W266 WeakPolarHBondContact O-CB 3.17Å; E175-W266 PolarHBondContact O-N 3.13Å; L176-W266 WeakPolarHBondContact CA-O 3.45Å; L176-W266 HydrophobicContact CD1-CB 3.98Å; S177-W266 PolarHBondContact N-O 3.05Å; W266-L288 HydrophobicContact CB-CD1 3.99Å; W266-L288 HydrophobicContact CD2-CD1 4.41Å; W266-L288 HydrophobicContact CD2-CD2 4.14Å; W266-L288 HydrophobicContact CE3-CD2 4.38Å; W266-L288 HydrophobicContact CG-CD1 3.91Å; W266-L288 HydrophobicContact CG-CD2 4.49Å; W266-L288 HydrophobicContact CZ2-CD2 4.4Å; W266-I291 HydrophobicContact CH2-CD1 4.48Å; W266-I291 HydrophobicContact CZ2-CD1 4.5Å; W266-V296 HydrophobicContact CH2-CG1 4.2Å; W266-V299 HydrophobicContact CH2-CG2 3.76Å; W266-V299 HydrophobicContact CZ3-CG2 3.71Å; W266-I345 HydrophobicContact CB-CG2 3.85Å; W266-I345 HydrophobicContact CD2-CG2 4.41Å; W266-I345 HydrophobicContact CE3-CG2 3.98Å; W266-I345 HydrophobicContact CG-CG2 4.43Å; W266-I346 CarbonylContact C-O 3.55Å; W266-I346 WeakPolarHBondContact CA-O 3.35Å; W266-K347 HydrophobicContact CD2-CG 4.05Å; W266-K347 HydrophobicContact CE3-CG 3.62Å; W266-K347 HydrophobicContact CH2-CD 4.26Å; W266-K347 VanDerWaalsContact CH2-CE 3.45Å; W266-K347 HydrophobicContact CH2-CG 4.06Å; W266-K347 HydrophobicContact CZ2-CD 4.44Å; W266-K347 HydrophobicContact CZ2-CG 4.44Å; W266-K347 HydrophobicContact CZ3-CD 4.31Å; W266-K347 HydrophobicContact CZ3-CG 3.61Å
267T98.6Very high95.5Very high0 Ų017.1 Ų17.10%08%0.081CC..EExtended strand (participates in β ladder)trans-128.7115.4176.9-550000110S177 C179 S260 F269 I345 I346S177-T267 CarbonylContact O-C 3.52Å; S177-T267 WeakPolarHBondContact O-CA 3.47Å; S177-T267 PolarHBondContact OG-OG1 3.28Å; C179-T267 HydrophobicContact CB-CG2 4.19Å; C179-T267 WeakPolarHBondContact SG-CG2 3.25Å; S260-T267 WeakPolarHBondContact CB-OG1 3.31Å; S260-T267 WeakPolarHBondContact OG-CG2 2.97Å; S260-T267 PolarHBondContact OG-OG1 3.17Å; T267-F269 HydrophobicContact CG2-CD2 4.19Å; T267-F269 HydrophobicContact CG2-CE2 3.63Å; T267-F269 HydrophobicContact CG2-CZ 4.23Å; T267-I345 CarbonylContact O-C 3.42Å; T267-I345 WeakPolarHBondContact O-CA 3.36Å; T267-I346 PolarHBondContact N-O 3.08Å; T267-I346 PolarHBondContact O-N 3.25Å
268A98.4Very high95.3Very high0 Ų017.7 Ų17.70%09%0.085CC..EExtended strand (participates in β ladder)trans-82.4135.4172.300000110.4L176 S177 V178 C179 L276 I345L176-A268 HydrophobicContact CD1-CB 4.45Å; S177-A268 PolarHBondContact O-N 2.71Å; V178-A268 CarbonylContact C-O 3.46Å; V178-A268 WeakPolarHBondContact CA-O 3.25Å; V178-A268 HydrophobicContact CG1-CB 4.43Å; V178-A268 HydrophobicContact CG2-CB 4.36Å; C179-A268 PolarHBondContact N-O 3.43Å; A268-L276 HydrophobicContact CB-CD1 4.2Å; A268-L276 HydrophobicContact CB-CD2 4.48Å; A268-I345 HydrophobicContact CB-CD1 4.35Å; A268-I345 HydrophobicContact CB-CG1 3.86Å
269F97.7Very high94.6Very high9 Ų920.6 Ų20.64%0.03910%0.101CC..EExtended strand (participates in β ladder)trans-109.1103.9171-71.7-108.6000108.1C179 I253 C256 H257 T267 P344 I346 M354C179-F269 HydrophobicContact CB-CD1 3.7Å; C179-F269 HydrophobicContact CB-CD2 4.36Å; C179-F269 HydrophobicContact CB-CE1 3.78Å; C179-F269 HydrophobicContact CB-CE2 4.39Å; C179-F269 HydrophobicContact CB-CG 4.01Å; C179-F269 HydrophobicContact CB-CZ 4.12Å; C179-F269 VanDerWaalsContact SG-CZ 3.6Å; I253-F269 HydrophobicContact CG1-CD1 4.44Å; I253-F269 HydrophobicContact CG2-CE1 4.34Å; C256-F269 HydrophobicContact CB-CE1 4.15Å; C256-F269 HydrophobicContact CB-CZ 4.5Å; H257-F269 HydrophobicContact CB-CZ 4.2Å; T267-F269 HydrophobicContact CG2-CD2 4.19Å; T267-F269 HydrophobicContact CG2-CE2 3.63Å; T267-F269 HydrophobicContact CG2-CZ 4.23Å; F269-P344 HydrophobicContact CB-CG 4.07Å; F269-P344 PolarHBondContact N-O 3.45Å; F269-I346 HydrophobicContact CD2-CD1 4.29Å; F269-I346 HydrophobicContact CD2-CG1 4.31Å; F269-I346 HydrophobicContact CE2-CD1 3.45Å; F269-I346 VanDerWaalsContact CE2-CD1 3.45Å; F269-I346 HydrophobicContact CE2-CG1 3.74Å; F269-I346 HydrophobicContact CZ-CD1 4.05Å; F269-M354 HydrophobicContact CD1-CE 4.36Å; F269-M354 HydrophobicContact CD2-CE 3.91Å; F269-M354 HydrophobicContact CE1-CE 4.41Å; F269-M354 HydrophobicContact CE2-CE 4Å; F269-M354 HydrophobicContact CG-CE 4.11Å; F269-M354 HydrophobicContact CZ-CE 4.25Å
270I95.7Very high93.7Very high3 Ų321.8 Ų21.82%0.01512%0.118CC..EExtended strand (participates in β ladder)trans-140.2159.2-175.760174.1000110.9V178 C179 V180 A181 F196 E274 L276 K343 V378V178-I270 HydrophobicContact CG1-CD1 3.78Å; V178-I270 HydrophobicContact CG1-CG1 3.49Å; V178-I270 VanDerWaalsContact CG1-CG1 3.49Å; C179-I270 PolarHBondContact O-N 3.21Å; V180-I270 WeakPolarHBondContact CA-O 3.44Å; A181-I270 PolarHBondContact N-O 3.05Å; A181-I270 VanDerWaalsContact N-O 3.16Å; F196-I270 HydrophobicContact CE2-CD1 3.56Å; F196-I270 HydrophobicContact CE2-CG1 3.8Å; F196-I270 HydrophobicContact CZ-CD1 3.75Å; F196-I270 HydrophobicContact CZ-CG1 3.79Å; I270-E274 VanDerWaalsContact CA-OE2 3.3Å; I270-E274 WeakPolarHBondContact CA-OE2 3.48Å; I270-E274 HydrophobicContact CB-CB 4.06Å; I270-E274 WeakPolarHBondContact CB-OE2 3.38Å; I270-L276 HydrophobicContact CD1-CD2 4.47Å; I270-L276 HydrophobicContact CD1-CG 4.11Å; I270-L276 HydrophobicContact CG2-CD2 4.42Å; I270-K343 HydrophobicContact CG2-CB 4.09Å; I270-K343 HydrophobicContact CG2-CG 4.33Å; I270-V378 HydrophobicContact CG2-CG2 4.35Å
271D93.4Very high92.7Very high41 Ų4128.9 Ų28.922%0.21916%0.164CC..  trans-88.8162.2-179.3-54.9-18.4000110.5A181 F196 D273 E274 K343A181-D271 HydrophobicContact CB-CB 4.36Å; A181-D271 VanDerWaalsContact CB-OD1 3.23Å; A181-D271 WeakPolarHBondContact CB-OD1 3.29Å; F196-D271 VanDerWaalsContact CE2-O 3.24Å; F196-D271 WeakPolarHBondContact CE2-O 3.32Å; D271-D273 VanDerWaalsContact CB-OD1 3.25Å; D271-D273 WeakPolarHBondContact CB-OD1 3.5Å; D271-D273 PolarHBondContact O-N 3.13Å; D271-D273 VanDerWaalsContact O-N 3.15Å; D271-E274 HydrophobicContact CB-CG 4.17Å; D271-E274 PolarHBondContact N-OE2 3.2Å; D271-E274 WeakPolarHBondContact O-CB 3.48Å; D271-E274 PolarHBondContact O-N 3.07Å; D271-K343 IonicContact OD1-NZ 2.7Å; D271-K343 PolarHBondContact OD1-NZ 3.4Å; D271-K343 IonicContact OD2-NZ 2.76Å; D271-K343 PolarHBondContact OD2-NZ 3.45Å
272L93.3Very high92.5Very high30 Ų3030.4 Ų30.416%0.15718%0.181CC..THydrogen-bonded Turntrans-60.3-26.8-177.4-175.567.7000113.4V180 M183 P192 I193 F196 F210 E274 R275V180-L272 HydrophobicContact CG1-CB 4.44Å; M183-L272 HydrophobicContact CE-CD2 3.45Å; M183-L272 VanDerWaalsContact CE-CD2 3.45Å; M183-L272 HydrophobicContact CG-CD2 4.38Å; M183-L272 HydrophobicContact SD-CD1 4.16Å; M183-L272 HydrophobicContact SD-CD2 3.86Å; M183-L272 HydrophobicContact SD-CG 4.49Å; P192-L272 HydrophobicContact CB-CD2 3.98Å; P192-L272 HydrophobicContact CB-CG 4.16Å; I193-L272 HydrophobicContact CG1-CD1 4.19Å; I193-L272 HydrophobicContact CG1-CD2 4.45Å; F196-L272 HydrophobicContact CB-CD1 3.93Å; F196-L272 HydrophobicContact CD1-CD1 4.46Å; F196-L272 HydrophobicContact CD2-CD1 4.45Å; F196-L272 WeakPolarHBondContact CD2-O 3.3Å; F196-L272 HydrophobicContact CG-CD1 4.06Å; F210-L272 HydrophobicContact CE1-CD1 4.17Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-R275 PolarHBondContact O-NH1 3.36Å
273D89.4Confident92.5Very high52 Ų5228.8 Ų28.828%0.27818%0.179SC..THydrogen-bonded Turntrans-90.85.7178.364.6-24.9000113.5D271 L380 R381D271-D273 VanDerWaalsContact CB-OD1 3.25Å; D271-D273 WeakPolarHBondContact CB-OD1 3.5Å; D271-D273 PolarHBondContact O-N 3.13Å; D271-D273 VanDerWaalsContact O-N 3.15Å; D273-L380 VanDerWaalsContact OD2-CD1 3.25Å; D273-L380 WeakPolarHBondContact OD2-CD1 3.39Å; D273-R381 PolarHBondContact O-N 2.87Å
274E91.7Very high92.5Very high5 Ų528.1 Ų28.12%0.02318%0.175CC..EExtended strand (participates in β ladder)trans-104.7144.7179.2-72.6-178.1147.700112.3F196 I270 D271 L272 K343 V378 R379 L380F196-E274 WeakPolarHBondContact CD2-O 3.28Å; F196-E274 WeakPolarHBondContact CE2-O 3.49Å; I270-E274 VanDerWaalsContact CA-OE2 3.3Å; I270-E274 WeakPolarHBondContact CA-OE2 3.48Å; I270-E274 HydrophobicContact CB-CB 4.06Å; I270-E274 WeakPolarHBondContact CB-OE2 3.38Å; D271-E274 HydrophobicContact CB-CG 4.17Å; D271-E274 PolarHBondContact N-OE2 3.2Å; D271-E274 WeakPolarHBondContact O-CB 3.48Å; D271-E274 PolarHBondContact O-N 3.07Å; L272-E274 VanDerWaalsContact C-N 3.33Å; E274-K343 VanDerWaalsContact CD-CE 3.48Å; E274-K343 WeakPolarHBondContact OE1-CE 3.28Å; E274-K343 IonicContact OE1-NZ 3.19Å; E274-K343 PolarHBondContact OE1-NZ 3.35Å; E274-K343 VanDerWaalsContact OE1-NZ 3.1Å; E274-K343 WeakPolarHBondContact OE2-CD 3.31Å; E274-K343 WeakPolarHBondContact OE2-CE 3.28Å; E274-K343 IonicContact OE2-NZ 2.93Å; E274-K343 PolarHBondContact OE2-NZ 2.87Å; E274-V378 HydrophobicContact CB-CG1 3.54Å; E274-V378 HydrophobicContact CG-CG1 3.74Å; E274-R379 CarbonylContact C-O 3.52Å; E274-R379 WeakPolarHBondContact CA-O 3.46Å; E274-L380 HydrophobicContact CG-CB 4.31Å; E274-L380 HydrophobicContact CG-CD1 3.63Å
275R91.6Very high92.4Very high0 Ų028.6 Ų28.60%018%0.178CC..EExtended strand (participates in β ladder)trans-129.3128.5177.7-60.6-63.4177.7-85.75.2110.8P192 D195 F196 L272 V378 R379P192-R275 PolarHBondContact O-NH2 2.93Å; D195-R275 PolarHBondContact O-NE 3.03Å; D195-R275 IonicContact OD2-CZ 2.77Å; D195-R275 IonicContact OD2-NE 3.18Å; D195-R275 PolarHBondContact OD2-NE 2.97Å; D195-R275 IonicContact OD2-NH2 3.33Å; D195-R275 PolarHBondContact OD2-NH2 2.87Å; F196-R275 VanDerWaalsContact CA-CZ 3.42Å; F196-R275 VanDerWaalsContact N-NH2 3.19Å; L272-R275 PolarHBondContact O-NH1 3.36Å; R275-V378 CarbonylContact O-C 3.49Å; R275-V378 WeakPolarHBondContact O-CA 3.19Å; R275-R379 HydrophobicContact CB-CB 4.41Å; R275-R379 PolarHBondContact N-O 2.68Å; R275-R379 PolarHBondContact O-N 2.9Å
276L94.6Very high92.4Very high0 Ų028 Ų280%018%0.178CC..EExtended strand (participates in β ladder)trans-61.5137.6165.3-62.6175.9000108.6L176 H199 N200 E203 A268 I270 M284 L301 I345 V378L176-L276 HydrophobicContact CD2-CD1 4.23Å; H199-L276 PolarHBondContact CD2-O 2.9Å; H199-L276 PolarHBondContact NE2-O 3.42Å; N200-L276 WeakPolarHBondContact OD1-CB 3.46Å; N200-L276 VanDerWaalsContact OD1-CG 3.27Å; N200-L276 WeakPolarHBondContact OD1-CG 3.48Å; N200-L276 PolarHBondContact OD1-N 2.84Å; E203-L276 HydrophobicContact CB-CB 4.22Å; E203-L276 HydrophobicContact CG-CB 4.1Å; E203-L276 WeakPolarHBondContact CG-O 3.45Å; A268-L276 HydrophobicContact CB-CD1 4.2Å; A268-L276 HydrophobicContact CB-CD2 4.48Å; I270-L276 HydrophobicContact CD1-CD2 4.47Å; I270-L276 HydrophobicContact CD1-CG 4.11Å; I270-L276 HydrophobicContact CG2-CD2 4.42Å; L276-M284 HydrophobicContact CB-CE 4.05Å; L276-M284 HydrophobicContact CD1-CG 4.22Å; L276-M284 HydrophobicContact CD2-CE 4.14Å; L276-L301 HydrophobicContact CD2-CD1 3.56Å; L276-I345 HydrophobicContact CD2-CD1 4.15Å; L276-V378 HydrophobicContact CD2-CG2 4.19Å
277S91.5Very high92.3Very high5 Ų528.9 Ų28.94%0.03518%0.184CC..EExtended strand (participates in β ladder)trans-150129.2179.3176.90000111E203 A376 S377 R379E203-S277 WeakPolarHBondContact OE1-CA 3.46Å; S277-A376 CarbonylContact O-C 3.53Å; S277-A376 VanDerWaalsContact O-CA 3.27Å; S277-A376 WeakPolarHBondContact O-CA 3.41Å; S277-S377 PolarHBondContact N-O 2.86Å; S277-S377 PolarHBondContact O-N 2.83Å; S277-S377 VanDerWaalsContact O-O 3.1Å; S277-R379 VanDerWaalsContact OG-CZ 3.24Å; S277-R379 PolarHBondContact OG-NE 2.75Å; S277-R379 PolarHBondContact OG-NH2 2.82Å
278T91.8Very high92.3Very high22 Ų2229 Ų2914%0.13518%0.184CC..EExtended strand (participates in β ladder)trans-93152.9165.758.80000110.8E203 G282 T283 M284 V287 A376E203-T278 PolarHBondContact OE1-N 3.45Å; T278-G282 PolarHBondContact OG1-O 3.32Å; T278-T283 VanDerWaalsContact CG2-C 3.44Å; T278-M284 HydrophobicContact CG2-CB 4.46Å; T278-V287 HydrophobicContact CG2-CG2 3.83Å; T278-A376 HydrophobicContact CG2-CB 4.36Å
279N81.5Confident92.2Very high74 Ų7434.7 Ų34.740%0.39621%0.206SC..SBendtrans-109.41.7177.3-70.3-45.7000112.8I373 T374 V375N279-I373 PolarHBondContact ND2-O 3.27Å; N279-T374 WeakPolarHBondContact CB-O 3.38Å; N279-V375 PolarHBondContact N-O 2.91Å
280G77.2Confident92.1Very high42 Ų4238 Ų3843%0.43323%0.231SC..SBendtrans-120.6-177.4179.500000112.9G282G280-G282 PolarHBondContact O-N 2.81Å
281P77.3Confident92.1Very high148 Ų14839.2 Ų39.296%0.96124%0.237SC*.SBendtrans-67.2119.9172.928.7-32.3000109.5
282G90.9Very high92.1Very high39 Ų3944.8 Ų44.840%0.40226%0.261SS..SBendtrans121.9174.9178.900000113.3T278 G280T278-G282 PolarHBondContact OG1-O 3.32Å; G280-G282 PolarHBondContact O-N 2.81Å
283T96.1Very high92.3Very high37 Ų3746.6 Ų46.623%0.22727%0.271CS..  trans-104.6167.7-174.261.20000111.4L202 T278 I285 D286 V287L202-T283 VanDerWaalsContact O-CG2 3.22Å; L202-T283 WeakPolarHBondContact O-CG2 3.06Å; T278-T283 VanDerWaalsContact CG2-C 3.44Å; T283-I285 PolarHBondContact O-N 3.21Å; T283-I285 WeakPolarHBondContact OG1-CG2 3.32Å; T283-D286 PolarHBondContact N-OD2 3.01Å; T283-D286 WeakPolarHBondContact O-CB 3.22Å; T283-D286 PolarHBondContact O-N 3.12Å; T283-D286 PolarHBondContact OG1-N 3.18Å; T283-D286 PolarHBondContact OG1-OD2 2.8Å; T283-V287 PolarHBondContact O-N 3.48Å; T283-V287 VanDerWaalsContact O-N 3.16Å
284M97.3Very high92.5Very high0 Ų048.6 Ų48.60%029%0.289CS..Hα-helixtrans-54.3-39.6173.5-176.761.865.200111.7L176 E203 L276 T278 D286 V287 L288 L301 I345 A376L176-M284 HydrophobicContact CD2-CG 4.3Å; E203-M284 HydrophobicContact CB-CB 3.95Å; E203-M284 WeakPolarHBondContact O-CB 3.17Å; E203-M284 PolarHBondContact O-N 2.85Å; E203-M284 PolarHBondContact OE2-N 2.87Å; L276-M284 HydrophobicContact CB-CE 4.05Å; L276-M284 HydrophobicContact CD1-CG 4.22Å; L276-M284 HydrophobicContact CD2-CE 4.14Å; T278-M284 HydrophobicContact CG2-CB 4.46Å; M284-D286 VanDerWaalsContact C-N 3.29Å; M284-D286 PolarHBondContact O-N 2.85Å; M284-V287 WeakPolarHBondContact O-CB 3.27Å; M284-V287 PolarHBondContact O-N 3.18Å; M284-L288 HydrophobicContact CG-CD1 4.24Å; M284-L288 HydrophobicContact CG-CG 4.46Å; M284-L288 WeakPolarHBondContact O-CG 3.07Å; M284-L288 PolarHBondContact O-N 3.26Å; M284-L301 HydrophobicContact CE-CD1 3.67Å; M284-L301 HydrophobicContact CE-CD2 3.98Å; M284-L301 HydrophobicContact SD-CD1 4.21Å; M284-L301 HydrophobicContact SD-CD2 4.29Å; M284-I345 HydrophobicContact CG-CD1 4.04Å; M284-I345 HydrophobicContact SD-CD1 3.94Å; M284-A376 HydrophobicContact CE-CB 3.68Å; M284-A376 HydrophobicContact SD-CB 4.22Å
285I97.1Very high92.8Very high9 Ų949.5 Ų49.55%0.04630%0.296CS..Hα-helixtrans-64.6-33.8177.5-166.663.9000112.5E175 L176 E203 T283 V287 L288 R289E175-I285 HydrophobicContact CB-CD1 3.89Å; E175-I285 HydrophobicContact CB-CG1 4.44Å; E175-I285 HydrophobicContact CG-CD1 3.5Å; E175-I285 HydrophobicContact CG-CG1 4.2Å; L176-I285 HydrophobicContact CB-CD1 3.75Å; E203-I285 PolarHBondContact O-N 2.85Å; E203-I285 VanDerWaalsContact O-N 3.09Å; T283-I285 PolarHBondContact O-N 3.21Å; T283-I285 WeakPolarHBondContact OG1-CG2 3.32Å; I285-V287 VanDerWaalsContact C-N 3.35Å; I285-L288 HydrophobicContact CD1-CB 4.42Å; I285-L288 HydrophobicContact CD1-CD1 4.3Å; I285-L288 PolarHBondContact O-N 2.84Å; I285-R289 WeakPolarHBondContact O-CB 3.49Å; I285-R289 VanDerWaalsContact O-CG 3.27Å; I285-R289 WeakPolarHBondContact O-CG 3.14Å; I285-R289 PolarHBondContact O-N 3.27Å
286D97.3Very high93.1Very high69 Ų6949.9 Ų49.937%0.36930%0.298SS..Hα-helixtrans-65.4-39.6174.5-59.3-44.2000111.6T283 M284 R289 S290T283-D286 PolarHBondContact N-OD2 3.01Å; T283-D286 WeakPolarHBondContact O-CB 3.22Å; T283-D286 PolarHBondContact O-N 3.12Å; T283-D286 PolarHBondContact OG1-N 3.18Å; T283-D286 PolarHBondContact OG1-OD2 2.8Å; M284-D286 VanDerWaalsContact C-N 3.29Å; M284-D286 PolarHBondContact O-N 2.85Å; D286-R289 PolarHBondContact O-N 3.29Å; D286-R289 IonicContact OD1-NH1 3.49Å; D286-R289 PolarHBondContact OD1-NH1 3.15Å; D286-S290 PolarHBondContact O-N 3.1Å
287V96.6Very high93.2Very high21 Ų2149.9 Ų49.913%0.12730%0.298CS..Hα-helixtrans-60.8-46.8172.81770000110.4T278 T283 M284 I285 R289 S290 L371 V375T278-V287 HydrophobicContact CG2-CG2 3.83Å; T283-V287 PolarHBondContact O-N 3.48Å; T283-V287 VanDerWaalsContact O-N 3.16Å; M284-V287 WeakPolarHBondContact O-CB 3.27Å; M284-V287 PolarHBondContact O-N 3.18Å; I285-V287 VanDerWaalsContact C-N 3.35Å; V287-R289 VanDerWaalsContact C-N 3.35Å; V287-R289 PolarHBondContact O-N 3.33Å; V287-S290 WeakPolarHBondContact O-CB 3.19Å; V287-S290 PolarHBondContact O-N 3.37Å; V287-S290 VanDerWaalsContact O-N 3.16Å; V287-S290 PolarHBondContact O-OG 2.83Å; V287-L371 HydrophobicContact CG1-CD1 3.88Å; V287-L371 HydrophobicContact CG1-CD2 4.4Å; V287-V375 HydrophobicContact CG1-CG1 3.95Å; V287-V375 HydrophobicContact CG2-CG1 4.07Å
288L97.3Very high93.5Very high2 Ų249.7 Ų49.71%0.0130%0.297CS..Hα-helixtrans-64.8-36.7179.8-67.3172.9000112.5L176 W266 M284 I285 S290 I291 V299 I345L176-L288 HydrophobicContact CD1-CD1 3.96Å; L176-L288 HydrophobicContact CD2-CD1 4.29Å; W266-L288 HydrophobicContact CB-CD1 3.99Å; W266-L288 HydrophobicContact CD2-CD1 4.41Å; W266-L288 HydrophobicContact CD2-CD2 4.14Å; W266-L288 HydrophobicContact CE3-CD2 4.38Å; W266-L288 HydrophobicContact CG-CD1 3.91Å; W266-L288 HydrophobicContact CG-CD2 4.49Å; W266-L288 HydrophobicContact CZ2-CD2 4.4Å; M284-L288 HydrophobicContact CG-CD1 4.24Å; M284-L288 HydrophobicContact CG-CG 4.46Å; M284-L288 WeakPolarHBondContact O-CG 3.07Å; M284-L288 PolarHBondContact O-N 3.26Å; I285-L288 HydrophobicContact CD1-CB 4.42Å; I285-L288 HydrophobicContact CD1-CD1 4.3Å; I285-L288 PolarHBondContact O-N 2.84Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.25Å; L288-I291 HydrophobicContact CD2-CD1 4.2Å; L288-I291 WeakPolarHBondContact O-CB 3.28Å; L288-I291 PolarHBondContact O-N 2.95Å; L288-V299 HydrophobicContact CD2-CB 4.46Å; L288-V299 HydrophobicContact CD2-CG1 4.49Å; L288-V299 HydrophobicContact CD2-CG2 4.15Å; L288-I345 HydrophobicContact CD1-CD1 4.29Å; L288-I345 HydrophobicContact CD1-CG2 4.08Å; L288-I345 HydrophobicContact CD2-CD1 4.36Å; L288-I345 HydrophobicContact CD2-CG2 4.16Å
289R96.6Very high93.9Very high121 Ų12148.7 Ų48.746%0.45729%0.291SS..Hα-helixtrans-67-29.3173.9-74.3167.6178164.7-3.2113E175 I285 D286 V287 I291 Q292E175-R289 VanDerWaalsContact CD-NE 3.3Å; E175-R289 WeakPolarHBondContact OE1-CG 3.25Å; E175-R289 IonicContact OE1-NE 2.62Å; E175-R289 PolarHBondContact OE1-NE 2.89Å; E175-R289 IonicContact OE2-CZ 2.84Å; E175-R289 IonicContact OE2-NE 3.59Å; E175-R289 PolarHBondContact OE2-NE 3.33Å; E175-R289 IonicContact OE2-NH2 2.93Å; E175-R289 PolarHBondContact OE2-NH2 2.74Å; I285-R289 WeakPolarHBondContact O-CB 3.49Å; I285-R289 VanDerWaalsContact O-CG 3.27Å; I285-R289 WeakPolarHBondContact O-CG 3.14Å; I285-R289 PolarHBondContact O-N 3.27Å; D286-R289 PolarHBondContact O-N 3.29Å; D286-R289 IonicContact OD1-NH1 3.49Å; D286-R289 PolarHBondContact OD1-NH1 3.15Å; V287-R289 VanDerWaalsContact C-N 3.35Å; V287-R289 PolarHBondContact O-N 3.33Å; R289-I291 PolarHBondContact O-N 3.32Å; R289-Q292 PolarHBondContact O-NE2 3.45Å; R289-Q292 VanDerWaalsContact O-NE2 3.09Å
290S95.6Very high94.6Very high79 Ų7945.6 Ų45.655%0.55227%0.274SS*.Hα-helixtrans-68.3-18.6176.882.90000113D286 V287 L288 Q292D286-S290 PolarHBondContact O-N 3.1Å; V287-S290 WeakPolarHBondContact O-CB 3.19Å; V287-S290 PolarHBondContact O-N 3.37Å; V287-S290 VanDerWaalsContact O-N 3.16Å; V287-S290 PolarHBondContact O-OG 2.83Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.25Å; S290-Q292 PolarHBondContact O-N 3.45Å
291I96Very high95.5Very high27 Ų2743.7 Ų43.714%0.13825%0.254CS..  trans-77.295.5179.8-55.8169.3000109.4W266 L288 R289 V296 V299 L369W266-I291 HydrophobicContact CH2-CD1 4.48Å; W266-I291 HydrophobicContact CZ2-CD1 4.5Å; L288-I291 HydrophobicContact CD2-CD1 4.2Å; L288-I291 WeakPolarHBondContact O-CB 3.28Å; L288-I291 PolarHBondContact O-N 2.95Å; R289-I291 PolarHBondContact O-N 3.32Å; I291-V296 HydrophobicContact CG2-CB 3.99Å; I291-V296 HydrophobicContact CG2-CG1 4.2Å; I291-V296 HydrophobicContact CG2-CG2 4Å; I291-V299 HydrophobicContact CD1-CG2 3.59Å; I291-L369 HydrophobicContact CD1-CD2 3.73Å; I291-L369 HydrophobicContact CG1-CD2 3.94Å; I291-L369 HydrophobicContact CG2-CD2 4.29Å
292Q94.1Very high96.2Very high159 Ų15938.2 Ų38.274%0.74322%0.216SC*.  trans-81.5-21.1-179.7-59.1-55.8-42.500113.8R289 S290 S294R289-Q292 PolarHBondContact O-NE2 3.45Å; R289-Q292 VanDerWaalsContact O-NE2 3.09Å; S290-Q292 PolarHBondContact O-N 3.45Å; Q292-S294 PolarHBondContact O-N 3.4Å
293D96.6Very high96.1Very high67 Ų6736.5 Ų36.536%0.35820%0.197SC..  trans-68.9104.7179.7-175.3-8.4000109.9S295 V296 K367D293-S295 PolarHBondContact O-N 3.39Å; D293-S295 VanDerWaalsContact O-N 3.16Å; D293-S295 VanDerWaalsContact OD1-CB 3.27Å; D293-S295 WeakPolarHBondContact OD1-CB 3.38Å; D293-S295 PolarHBondContact OD1-N 2.7Å; D293-S295 PolarHBondContact OD1-OG 2.98Å; D293-S295 PolarHBondContact OD2-OG 2.84Å; D293-V296 HydrophobicContact CB-CG2 3.96Å; D293-V296 WeakPolarHBondContact O-CB 3.42Å; D293-V296 PolarHBondContact O-N 2.74Å; D293-K367 IonicContact OD2-NZ 2.68Å; D293-K367 PolarHBondContact OD2-NZ 2.81Å
294S94.8Very high95.5Very high94 Ų9435 Ų3566%0.65719%0.188SC*.THydrogen-bonded Turntrans-64.9-16.2-179.965.90000113.1Q292 V296 K350Q292-S294 PolarHBondContact O-N 3.4Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 3.12Å; S294-K350 PolarHBondContact O-NZ 3.45Å
295S96.6Very high94.7Very high25 Ų2535.6 Ų35.618%0.17519%0.192CC..THydrogen-bonded Turntrans-75.3-14.4173.771.80000113.2D293 G297 G365 V366 K367D293-S295 PolarHBondContact O-N 3.39Å; D293-S295 VanDerWaalsContact O-N 3.16Å; D293-S295 VanDerWaalsContact OD1-CB 3.27Å; D293-S295 WeakPolarHBondContact OD1-CB 3.38Å; D293-S295 PolarHBondContact OD1-N 2.7Å; D293-S295 PolarHBondContact OD1-OG 2.98Å; D293-S295 PolarHBondContact OD2-OG 2.84Å; S295-G297 PolarHBondContact O-N 3.17Å; S295-G365 WeakPolarHBondContact CB-O 3.16Å; S295-V366 CarbonylContact O-C 3.57Å; S295-V366 WeakPolarHBondContact O-CA 2.97Å; S295-K367 PolarHBondContact O-N 3.05Å; S295-K367 WeakPolarHBondContact OG-CD 3.49Å; S295-K367 WeakPolarHBondContact OG-CE 3.1Å; S295-K367 PolarHBondContact OG-NZ 2.91Å; S295-K367 VanDerWaalsContact OG-NZ 3.15Å
296V98.2Very high93.8Very high7 Ų736.7 Ų36.74%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-71.8117.2175-178.50000109.6W266 I291 D293 S294 E298 V299 K347 L369W266-V296 HydrophobicContact CH2-CG1 4.2Å; I291-V296 HydrophobicContact CG2-CB 3.99Å; I291-V296 HydrophobicContact CG2-CG1 4.2Å; I291-V296 HydrophobicContact CG2-CG2 4Å; D293-V296 HydrophobicContact CB-CG2 3.96Å; D293-V296 WeakPolarHBondContact O-CB 3.42Å; D293-V296 PolarHBondContact O-N 2.74Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 3.12Å; V296-E298 WeakPolarHBondContact CG1-O 3.46Å; V296-V299 HydrophobicContact CG1-CG2 3.96Å; V296-K347 PolarHBondContact O-NZ 3.05Å; V296-L369 HydrophobicContact CG1-CB 3.89Å; V296-L369 HydrophobicContact CG2-CB 4.37Å
297G97.4Very high92.7Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-117.7-11.2174.200000113.6S295 I346 K347 K367S295-G297 PolarHBondContact O-N 3.17Å; G297-I346 CarbonylContact O-C 3.54Å; G297-I346 WeakPolarHBondContact O-CA 3.02Å; G297-K347 PolarHBondContact O-N 3.08Å; G297-K367 PolarHBondContact N-O 2.92Å; G297-K367 VanDerWaalsContact N-O 3.12Å
298E98.3Very high91.7Very high2 Ų235.9 Ų35.91%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-135.5135.7172.8177.6-174.4-13800109.8V296 Q300 P344 I345 I346 I351 Q358 A359 K362 K367 T368 L369V296-E298 WeakPolarHBondContact CG1-O 3.46Å; E298-Q300 HydrophobicContact CG-CG 4.22Å; E298-Q300 PolarHBondContact OE1-NE2 3.38Å; E298-P344 HydrophobicContact CG-CB 4.43Å; E298-I345 CarbonylContact C-O 3.59Å; E298-I346 HydrophobicContact CB-CG2 4.41Å; E298-I346 HydrophobicContact CG-CG2 4.23Å; E298-I351 HydrophobicContact CB-CD1 4.48Å; E298-Q358 VanDerWaalsContact OE1-CA 3.31Å; E298-Q358 WeakPolarHBondContact OE1-CA 3.41Å; E298-A359 PolarHBondContact OE1-N 2.95Å; E298-K362 WeakPolarHBondContact OE2-CE 3.19Å; E298-K362 IonicContact OE2-NZ 2.69Å; E298-K362 PolarHBondContact OE2-NZ 3.35Å; E298-K367 PolarHBondContact N-O 3.01Å; E298-T368 HydrophobicContact CB-CG2 4.39Å; E298-T368 HydrophobicContact CG-CG2 4.07Å; E298-T368 CarbonylContact O-C 3.6Å; E298-T368 WeakPolarHBondContact O-CA 3.48Å; E298-T368 WeakPolarHBondContact OE2-CB 3.41Å; E298-T368 WeakPolarHBondContact OE2-CG2 3.31Å; E298-T368 PolarHBondContact OE2-OG1 3.47Å; E298-L369 PolarHBondContact O-N 3.5Å
299V98.1Very high90.6Very high0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-118123.2171.3178.90000107.7W266 L288 I291 V296 P344 I345 L369 L371W266-V299 HydrophobicContact CH2-CG2 3.76Å; W266-V299 HydrophobicContact CZ3-CG2 3.71Å; L288-V299 HydrophobicContact CD2-CB 4.46Å; L288-V299 HydrophobicContact CD2-CG1 4.49Å; L288-V299 HydrophobicContact CD2-CG2 4.15Å; I291-V299 HydrophobicContact CD1-CG2 3.59Å; V296-V299 HydrophobicContact CG1-CG2 3.96Å; V299-P344 CarbonylContact O-C 3.53Å; V299-P344 WeakPolarHBondContact O-CA 3.45Å; V299-I345 HydrophobicContact CB-CB 4.3Å; V299-I345 PolarHBondContact N-O 2.9Å; V299-I345 PolarHBondContact O-N 3.22Å; V299-L369 CarbonylContact C-O 3.55Å; V299-L369 VanDerWaalsContact CA-O 3.31Å; V299-L369 WeakPolarHBondContact CA-O 3.4Å; V299-L371 HydrophobicContact CG1-CD1 3.29Å; V299-L371 HydrophobicContact CG1-CG 3.54Å
300Q97.3Very high89.8Confident10 Ų1039.4 Ų39.45%0.04722%0.218CC..EExtended strand (participates in β ladder)trans-100.9122.5179-77.7-73.2-17.500109.4E298 T342 H357 Q358 T368 L369 L370 L371E298-Q300 HydrophobicContact CG-CG 4.22Å; E298-Q300 PolarHBondContact OE1-NE2 3.38Å; Q300-T342 PolarHBondContact OE1-OG1 2.91Å; Q300-H357 PolarHBondContact NE2-O 3.25Å; Q300-H357 PolarHBondContact OE1-O 3.01Å; Q300-Q358 VanDerWaalsContact NE2-CB 3.3Å; Q300-T368 HydrophobicContact CB-CG2 4.33Å; Q300-T368 HydrophobicContact CG-CG2 3.66Å; Q300-L369 PolarHBondContact N-O 3.25Å; Q300-L370 HydrophobicContact CB-CD1 3.82Å; Q300-L371 PolarHBondContact O-N 3.21Å
301L95.2Very high89.2Confident1 Ų141.5 Ų41.51%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-101.1135.2175.8-68.3173.3000109.8L276 M284 T342 K343 I345 L371 A376 V378L276-L301 HydrophobicContact CD2-CD1 3.56Å; M284-L301 HydrophobicContact CE-CD1 3.67Å; M284-L301 HydrophobicContact CE-CD2 3.98Å; M284-L301 HydrophobicContact SD-CD1 4.21Å; M284-L301 HydrophobicContact SD-CD2 4.29Å; L301-T342 CarbonylContact O-C 3.59Å; L301-T342 WeakPolarHBondContact O-CA 3.47Å; L301-T342 VanDerWaalsContact O-CB 3.26Å; L301-T342 WeakPolarHBondContact O-CB 3.2Å; L301-K343 PolarHBondContact N-O 2.9Å; L301-K343 PolarHBondContact O-N 3.22Å; L301-I345 HydrophobicContact CD1-CD1 3.6Å; L301-I345 HydrophobicContact CD1-CG1 4.03Å; L301-I345 HydrophobicContact CG-CD1 4.38Å; L301-L371 HydrophobicContact CD2-CB 4.15Å; L301-L371 HydrophobicContact CD2-CD1 3.6Å; L301-L371 HydrophobicContact CD2-CG 4.45Å; L301-A376 HydrophobicContact CD2-CB 3.84Å; L301-V378 HydrophobicContact CB-CG2 3.84Å; L301-V378 HydrophobicContact CD1-CG2 3.82Å
302Q92.1Very high88.8Confident34 Ų3442 Ų4216%0.15922%0.223CC..EExtended strand (participates in β ladder)trans-76.4138.2172.3-64.8-174.8-4.700110.7T342 L370 I373 S377 V378Q302-T342 HydrophobicContact CG-CG2 4.39Å; Q302-L370 HydrophobicContact CG-CD1 4.3Å; Q302-I373 HydrophobicContact CB-CB 4.44Å; Q302-I373 HydrophobicContact CB-CD1 4.35Å; Q302-S377 CarbonylContact O-C 3.54Å; Q302-S377 VanDerWaalsContact O-CA 3.28Å; Q302-S377 WeakPolarHBondContact O-CA 3.28Å; Q302-S377 VanDerWaalsContact O-CB 3.32Å; Q302-S377 WeakPolarHBondContact O-CB 2.85Å; Q302-V378 PolarHBondContact O-N 3.14Å
303S88.6Confident88.6Confident3 Ų335.2 Ų35.22%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-94.7132.2177.5-58.10000111.5M339 S340 G341 V378S303-M339 WeakPolarHBondContact O-CA 3.22Å; S303-S340 PolarHBondContact O-N 3.47Å; S303-G341 PolarHBondContact N-O 3.3Å; S303-V378 CarbonylContact C-O 3.48Å; S303-V378 VanDerWaalsContact CA-O 3.23Å; S303-V378 WeakPolarHBondContact CA-O 3.15Å
304T84.8Confident88.4Confident6 Ų636.9 Ų36.94%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-111.2128.5170.858.60000110.6K337 T338 I373 V378 R379 L380T304-K337 HydrophobicContact CG2-CD 4.43Å; T304-T338 WeakPolarHBondContact CA-O 3.42Å; T304-I373 HydrophobicContact CG2-CD1 3.5Å; T304-I373 VanDerWaalsContact CG2-CD1 3.5Å; T304-I373 HydrophobicContact CG2-CG1 4.27Å; T304-V378 PolarHBondContact N-O 3.46Å; T304-V378 PolarHBondContact OG1-O 2.82Å; T304-R379 WeakPolarHBondContact O-CA 3.29Å; T304-L380 PolarHBondContact O-N 3.36Å
305T80.4Confident88.3Confident12 Ų1238 Ų387%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-81.7135.8177.7-51.20000111.8T338 S340 L380 Q382T305-T338 PolarHBondContact N-O 3.44Å; T305-S340 VanDerWaalsContact OG1-CB 3.25Å; T305-S340 WeakPolarHBondContact OG1-CB 3.42Å; T305-L380 CarbonylContact C-O 3.57Å; T305-L380 WeakPolarHBondContact CA-O 3.22Å; T305-Q382 HydrophobicContact CG2-CB 4.06Å
306I77.6Confident88.2Confident31 Ų3141.4 Ų41.416%0.15920%0.204CC..EExtended strand (participates in β ladder)trans-113.7126.1166.7-58.7175.6000106.1R379 L380 R381 Q382I306-R379 HydrophobicContact CD1-CB 4Å; I306-R379 HydrophobicContact CD1-CG 4.41Å; I306-L380 PolarHBondContact N-O 2.65Å; I306-R381 HydrophobicContact CB-CG 4.16Å; I306-R381 HydrophobicContact CD1-CG 4.39Å; I306-R381 CarbonylContact O-C 3.53Å; I306-R381 WeakPolarHBondContact O-CA 3.45Å; I306-Q382 PolarHBondContact O-N 3.49Å
307V74Confident88.1Confident48 Ų4846.7 Ų46.729%0.29123%0.228SC..EExtended strand (participates in β ladder)trans-84.5124.7-179.8174.90000109.2V335 Q382 T384V307-V335 HydrophobicContact CB-CG1 4.38Å; V307-V335 HydrophobicContact CG2-CG1 4.19Å; V307-Q382 WeakPolarHBondContact CA-O 2.99Å; V307-T384 HydrophobicContact CG1-CG2 3.3Å
308K75.7Confident88Confident26 Ų2649.9 Ų49.911%0.11325%0.246CC..EExtended strand (participates in β ladder)trans-100.1145.2165.552.4160.1-179146.40110.2Y331 Q382 L383 T384K308-Y331 HydrophobicContact CB-CD2 4.1Å; K308-Y331 HydrophobicContact CB-CE1 4.26Å; K308-Y331 HydrophobicContact CB-CE2 3.62Å; K308-Q382 VanDerWaalsContact CG-O 3.27Å; K308-Q382 WeakPolarHBondContact CG-O 3.47Å; K308-Q382 PolarHBondContact N-O 2.84Å; K308-L383 HydrophobicContact CD-CD1 4.46Å; K308-L383 HydrophobicContact CD-CD2 4.46Å; K308-L383 HydrophobicContact CD-CG 3.79Å; K308-L383 HydrophobicContact CG-CB 4.37Å; K308-L383 HydrophobicContact CG-CD2 4.49Å; K308-L383 HydrophobicContact CG-CG 3.98Å; K308-L383 VanDerWaalsContact NZ-CG 3.33Å; K308-L383 WeakPolarHBondContact O-CA 3.44Å; K308-T384 PolarHBondContact O-N 3.13Å; K308-T384 PolarHBondContact O-OG1 3.35Å; K308-T384 VanDerWaalsContact O-OG1 3.12Å
309D74.7Confident87.8Confident100 Ų10054.9 Ų54.954%0.53527%0.271SS..  trans-116.3-2.9-176.566.2-16.8000113.5Y331D309-Y331 PolarHBondContact N-OH 3.27Å; D309-Y331 WeakPolarHBondContact OD1-CE1 3.29Å; D309-Y331 VanDerWaalsContact OD1-CZ 3.29Å; D309-Y331 PolarHBondContact OD1-OH 3.17Å
310Q80.2Confident87.6Confident97 Ų9761.4 Ų61.445%0.45330%0.302SS..SBendtrans-135.8155.2-177.9-64.5174.412.800111.1Y331Q310-Y331 PolarHBondContact N-OH 2.75Å
311D83.4Confident87.3Confident122 Ų12262.8 Ų62.865%0.65231%0.308SS*.PPolyproline II helixtrans-78.6162.6172.9-67.5-36.4000111.8
312Y86.1Confident87.1Confident37 Ų3765 Ų6515%0.14532%0.32CS..PPolyproline II helixtrans-72.8147.7175.2-70.9-69.9000111.5L191 P192 I327L191-Y312 HydrophobicContact CD2-CD1 4.44Å; P192-Y312 HydrophobicContact CB-CE2 4.44Å; P192-Y312 HydrophobicContact CG-CD1 3.83Å; P192-Y312 HydrophobicContact CG-CD2 3.42Å; P192-Y312 VanDerWaalsContact CG-CD2 3.42Å; P192-Y312 HydrophobicContact CG-CE1 3.81Å; P192-Y312 HydrophobicContact CG-CE2 3.4Å; P192-Y312 HydrophobicContact CG-CG 3.64Å; Y312-I327 HydrophobicContact CE1-CD1 3.46Å; Y312-I327 VanDerWaalsContact CE1-CD1 3.46Å; Y312-I327 HydrophobicContact CE1-CG1 3.53Å; Y312-I327 WeakPolarHBondContact OH-CD1 3.5Å
313P91.6Very high87Confident18 Ų1868.1 Ų68.112%0.11733%0.334CS..PPolyproline II helixtrans-59.9142.1174.827-36.5000110.9W190 L191 K315 E325W190-P313 HydrophobicContact CZ2-CB 4.49Å; W190-P313 HydrophobicContact CZ2-CG 3.82Å; W190-P313 PolarHBondContact NE1-O 3.15Å; L191-P313 HydrophobicContact CD2-CG 3.96Å; P313-K315 PolarHBondContact O-N 3.27Å; P313-E325 HydrophobicContact CG-CB 4.19Å; P313-E325 HydrophobicContact CG-CG 3.98Å
314D91.8Very high87Confident101 Ų10173.6 Ų73.654%0.5436%0.36SS..SBendtrans-64-28.7-178.5-96.4-45000114P188 R216P188-D314 WeakPolarHBondContact CG-OD1 3.38Å; R216-D314 IonicContact CZ-OD1 2.79Å; R216-D314 IonicContact NH1-OD1 3.79Å; R216-D314 PolarHBondContact NH1-OD1 3.27Å; R216-D314 PolarHBondContact NH2-O 3.12Å; R216-D314 IonicContact NH2-OD1 2.7Å
315K93.1Very high87.2Confident117 Ų11775 Ų7551%0.50937%0.366SS..SBendtrans-160.2167.4-176.962.4-175.2179.9-177.60110.1Y218 P313Y218-K315 HydrophobicContact CE1-CB 4.29Å; P313-K315 PolarHBondContact O-N 3.27Å
316Y94.3Very high87.4Confident97 Ų9776.1 Ų76.138%0.3837%0.371SS..  trans-73.8129168.8172.1-97.3000110.4W190 Y218 N318 I319 L322W190-Y316 HydrophobicContact CH2-CD2 4.3Å; Y218-Y316 PolarHBondContact OH-N 2.88Å; Y316-N318 VanDerWaalsContact CE2-C 3.44Å; Y316-N318 WeakPolarHBondContact CE2-O 3.43Å; Y316-I319 WeakPolarHBondContact OH-CG1 3.41Å; Y316-I319 PolarHBondContact OH-N 3.02Å; Y316-L322 HydrophobicContact CD2-CB 4.24Å; Y316-L322 HydrophobicContact CD2-CD2 4.41Å; Y316-L322 HydrophobicContact CE2-CB 4.04Å; Y316-L322 HydrophobicContact CE2-CD2 4.09Å
317E94.5Very high87.4Confident118 Ų11874.8 Ų74.855%0.55136%0.364SS*.  trans-105.7-50.3171.4-59.5-177.1161.200112.4Q321E317-Q321 VanDerWaalsContact CD-NE2 3.3Å; E317-Q321 VanDerWaalsContact CG-OE1 3.24Å; E317-Q321 PolarHBondContact OE2-NE2 2.67Å
318N95.6Very high87.3Confident68 Ų6876.9 Ų76.936%0.36437%0.37SS..  trans-163.3170.6-17958.669000111.4Y316 E320 Q321 L322Y316-N318 VanDerWaalsContact CE2-C 3.44Å; Y316-N318 WeakPolarHBondContact CE2-O 3.43Å; N318-E320 VanDerWaalsContact C-N 3.32Å; N318-E320 PolarHBondContact O-N 2.73Å; N318-E320 WeakPolarHBondContact OD1-CB 3.46Å; N318-E320 PolarHBondContact OD1-N 3.48Å; N318-E320 VanDerWaalsContact OD1-N 3.12Å; N318-Q321 PolarHBondContact O-N 2.78Å; N318-Q321 PolarHBondContact OD1-N 3.32Å; N318-L322 WeakPolarHBondContact O-CB 3.35Å; N318-L322 PolarHBondContact O-N 2.74Å
319I93.9Very high87.5Confident107 Ų10780.6 Ų80.655%0.54939%0.386SS..Hα-helixtrans-63.2-37.9-178-62.3178.6000111.6Y316 L322 E323Y316-I319 WeakPolarHBondContact OH-CG1 3.41Å; Y316-I319 PolarHBondContact OH-N 3.02Å; I319-L322 PolarHBondContact O-N 3.19Å; I319-E323 HydrophobicContact CG2-CG 4.23Å; I319-E323 WeakPolarHBondContact O-CB 3.26Å; I319-E323 WeakPolarHBondContact O-CG 3.48Å; I319-E323 PolarHBondContact O-N 2.7Å
320E94.1Very high87.7Confident137 Ų13778.5 Ų78.564%0.6437%0.372SS*.Hα-helixtrans-63.9-46.8-178.8-175.3178.3-178.300111.3N318 E323 Q324N318-E320 VanDerWaalsContact C-N 3.32Å; N318-E320 PolarHBondContact O-N 2.73Å; N318-E320 WeakPolarHBondContact OD1-CB 3.46Å; N318-E320 PolarHBondContact OD1-N 3.48Å; N318-E320 VanDerWaalsContact OD1-N 3.12Å; E320-E323 PolarHBondContact O-N 3.19Å; E320-Q324 WeakPolarHBondContact O-CG 3.16Å; E320-Q324 PolarHBondContact O-N 2.59Å
321Q92.2Very high87.5Confident39 Ų3975.5 Ų75.518%0.18236%0.357CS..Hα-helixtrans-61.3-47.3172.8-178.7-171.259.200111E317 N318 E323 Q324 E325E317-Q321 VanDerWaalsContact CD-NE2 3.3Å; E317-Q321 VanDerWaalsContact CG-OE1 3.24Å; E317-Q321 PolarHBondContact OE2-NE2 2.67Å; N318-Q321 PolarHBondContact O-N 2.78Å; N318-Q321 PolarHBondContact OD1-N 3.32Å; Q321-E323 VanDerWaalsContact C-N 3.3Å; Q321-E323 PolarHBondContact O-N 2.79Å; Q321-Q324 PolarHBondContact O-N 3.27Å; Q321-Q324 VanDerWaalsContact O-N 3.12Å; Q321-E325 HydrophobicContact CG-CG 4.1Å; Q321-E325 WeakPolarHBondContact O-CB 3.47Å; Q321-E325 WeakPolarHBondContact O-CG 3.27Å; Q321-E325 PolarHBondContact O-N 2.84Å
322L91.4Very high86.8Confident48 Ų4874.8 Ų74.825%0.25135%0.353SS..Hα-helixtrans-54.7-48.9179.217463.5000110.7W190 L191 Y316 N318 I319 Q324 E325 L326W190-L322 HydrophobicContact CH2-CD1 4.05Å; W190-L322 HydrophobicContact CZ3-CD1 4.36Å; L191-L322 HydrophobicContact CD1-CD1 3.62Å; Y316-L322 HydrophobicContact CD2-CB 4.24Å; Y316-L322 HydrophobicContact CD2-CD2 4.41Å; Y316-L322 HydrophobicContact CE2-CB 4.04Å; Y316-L322 HydrophobicContact CE2-CD2 4.09Å; N318-L322 WeakPolarHBondContact O-CB 3.35Å; N318-L322 PolarHBondContact O-N 2.74Å; I319-L322 PolarHBondContact O-N 3.19Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.1Å; L322-E325 PolarHBondContact O-N 2.87Å; L322-E325 VanDerWaalsContact O-N 3.11Å; L322-L326 HydrophobicContact CD1-CD2 4.41Å; L322-L326 WeakPolarHBondContact O-CG 3.42Å; L322-L326 PolarHBondContact O-N 2.76Å
323E89.6Confident85.5Confident98 Ų9881.5 Ų81.546%0.45839%0.386SS..Hα-helixtrans-62-33.4-180-75.8-171.1176.500113.5I319 E320 Q321 K329I319-E323 HydrophobicContact CG2-CG 4.23Å; I319-E323 WeakPolarHBondContact O-CB 3.26Å; I319-E323 WeakPolarHBondContact O-CG 3.48Å; I319-E323 PolarHBondContact O-N 2.7Å; E320-E323 PolarHBondContact O-N 3.19Å; Q321-E323 VanDerWaalsContact C-N 3.3Å; Q321-E323 PolarHBondContact O-N 2.79Å; E323-K329 WeakPolarHBondContact O-CD 3.25Å
324Q88.6Confident83.6Confident118 Ų11885.7 Ų85.755%0.55141%0.411SS*.Hα-helixtrans-74.1-32.5175.1-69172.99.500112.2E320 Q321 L322E320-Q324 WeakPolarHBondContact O-CG 3.16Å; E320-Q324 PolarHBondContact O-N 2.59Å; Q321-Q324 PolarHBondContact O-N 3.27Å; Q321-Q324 VanDerWaalsContact O-N 3.12Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.1Å
325E88.9Confident81.7Confident37 Ų3785 Ų8517%0.17341%0.41CS..Hα-helixtrans-86.6-9.6-178.2-69.6-59.2146.200114L191 P313 Q321 L322 I327 K330L191-E325 HydrophobicContact CD2-CB 3.72Å; P313-E325 HydrophobicContact CG-CB 4.19Å; P313-E325 HydrophobicContact CG-CG 3.98Å; Q321-E325 HydrophobicContact CG-CG 4.1Å; Q321-E325 WeakPolarHBondContact O-CB 3.47Å; Q321-E325 WeakPolarHBondContact O-CG 3.27Å; Q321-E325 PolarHBondContact O-N 2.84Å; L322-E325 PolarHBondContact O-N 2.87Å; L322-E325 VanDerWaalsContact O-N 3.11Å; E325-I327 PolarHBondContact O-N 2.89Å; E325-K330 IonicContact OE1-NZ 3.18Å; E325-K330 PolarHBondContact OE1-NZ 2.69Å; E325-K330 IonicContact OE2-NZ 3.94Å; E325-K330 PolarHBondContact OE2-NZ 2.97Å
326L84.7Confident80Confident34 Ų3488 Ų8818%0.17842%0.423CS..  trans-58.2113.8173.1-74.7174.6000110.3L191 L322 F328 K329 K330L191-L326 HydrophobicContact CD1-CD2 4.43Å; L322-L326 HydrophobicContact CD1-CD2 4.41Å; L322-L326 WeakPolarHBondContact O-CG 3.42Å; L322-L326 PolarHBondContact O-N 2.76Å; L326-F328 VanDerWaalsContact C-N 3.25Å; L326-F328 HydrophobicContact CB-CD1 4.06Å; L326-F328 HydrophobicContact CB-CE1 3.69Å; L326-F328 HydrophobicContact CB-CZ 4.2Å; L326-F328 HydrophobicContact CD1-CE1 3.68Å; L326-F328 HydrophobicContact CD1-CZ 3.74Å; L326-F328 HydrophobicContact CD2-CE1 3.97Å; L326-F328 HydrophobicContact CG-CE1 3.96Å; L326-F328 HydrophobicContact CG-CZ 4.45Å; L326-F328 PolarHBondContact O-N 3.16Å; L326-F328 VanDerWaalsContact O-N 3.17Å; L326-K329 HydrophobicContact CB-CB 4.47Å; L326-K329 HydrophobicContact CB-CD 4.36Å; L326-K329 HydrophobicContact CB-CG 4.37Å; L326-K329 HydrophobicContact CD1-CD 4.41Å; L326-K329 WeakPolarHBondContact O-CA 3.34Å; L326-K329 WeakPolarHBondContact O-CB 3.47Å; L326-K329 PolarHBondContact O-N 3Å; L326-K330 PolarHBondContact O-N 3.27Å
327I77Confident78.6Confident3 Ų388.6 Ų88.62%0.01543%0.428CS..Hα-helixtrans-59-38.3-169.5-54.7159000111.8D195 Y312 E325 K329 K330 Y331 R381D195-I327 HydrophobicContact CB-CD1 4.21Å; Y312-I327 HydrophobicContact CE1-CD1 3.46Å; Y312-I327 VanDerWaalsContact CE1-CD1 3.46Å; Y312-I327 HydrophobicContact CE1-CG1 3.53Å; Y312-I327 WeakPolarHBondContact OH-CD1 3.5Å; E325-I327 PolarHBondContact O-N 2.89Å; I327-K329 PolarHBondContact O-N 2.75Å; I327-K330 PolarHBondContact O-N 3.05Å; I327-Y331 HydrophobicContact CG2-CD2 3.93Å; I327-Y331 PolarHBondContact O-N 2.03Å; I327-R381 HydrophobicContact CG2-CG 4.26Å; I327-R381 VanDerWaalsContact CG2-NE 3.31Å
328F72.9Confident77.4Confident92 Ų9286.5 Ų86.540%0.40442%0.423SS..Hα-helixtrans-66.7-21.9178.772.3-95.3000113.1L326 N332L326-F328 VanDerWaalsContact C-N 3.25Å; L326-F328 HydrophobicContact CB-CD1 4.06Å; L326-F328 HydrophobicContact CB-CE1 3.69Å; L326-F328 HydrophobicContact CB-CZ 4.2Å; L326-F328 HydrophobicContact CD1-CE1 3.68Å; L326-F328 HydrophobicContact CD1-CZ 3.74Å; L326-F328 HydrophobicContact CD2-CE1 3.97Å; L326-F328 HydrophobicContact CG-CE1 3.96Å; L326-F328 HydrophobicContact CG-CZ 4.45Å; L326-F328 PolarHBondContact O-N 3.16Å; L326-F328 VanDerWaalsContact O-N 3.17Å; F328-N332 WeakPolarHBondContact O-CB 3.35Å
329K78.9Confident76.4Confident104 Ų10489.3 Ų89.345%0.45244%0.436SS..Hα-helixtrans-86.2-49.8170.9-68-176.7172.4179.30110.3E323 L326 I327 Y331E323-K329 WeakPolarHBondContact O-CD 3.25Å; L326-K329 HydrophobicContact CB-CB 4.47Å; L326-K329 HydrophobicContact CB-CD 4.36Å; L326-K329 HydrophobicContact CB-CG 4.37Å; L326-K329 HydrophobicContact CD1-CD 4.41Å; L326-K329 WeakPolarHBondContact O-CA 3.34Å; L326-K329 WeakPolarHBondContact O-CB 3.47Å; L326-K329 PolarHBondContact O-N 3Å; I327-K329 PolarHBondContact O-N 2.75Å; K329-Y331 PolarHBondContact O-N 3.16Å
330K79.9Confident75.4Confident56 Ų5687.2 Ų87.224%0.24343%0.431CS..Hα-helixtrans-63.3-40.2-173-167.4168.3179.4169.10113.3E325 L326 I327E325-K330 IonicContact OE1-NZ 3.18Å; E325-K330 PolarHBondContact OE1-NZ 2.69Å; E325-K330 IonicContact OE2-NZ 3.94Å; E325-K330 PolarHBondContact OE2-NZ 2.97Å; L326-K330 PolarHBondContact O-N 3.27Å; I327-K330 PolarHBondContact O-N 3.05Å
331Y75.6Confident75Confident34 Ų3482.4 Ų82.413%0.13342%0.418CS..THydrogen-bonded Turntrans-120.136.7-176.7-56.6-66.2000112.8K308 D309 Q310 I327 K329K308-Y331 HydrophobicContact CB-CD2 4.1Å; K308-Y331 HydrophobicContact CB-CE1 4.26Å; K308-Y331 HydrophobicContact CB-CE2 3.62Å; D309-Y331 PolarHBondContact N-OH 3.27Å; D309-Y331 WeakPolarHBondContact OD1-CE1 3.29Å; D309-Y331 VanDerWaalsContact OD1-CZ 3.29Å; D309-Y331 PolarHBondContact OD1-OH 3.17Å; Q310-Y331 PolarHBondContact N-OH 2.75Å; I327-Y331 HydrophobicContact CG2-CD2 3.93Å; I327-Y331 PolarHBondContact O-N 2.03Å; K329-Y331 PolarHBondContact O-N 3.16Å
332N67.9Low74.9Confident107 Ų10782.7 Ų82.757%0.57242%0.422SS*.  trans-75.2-31.3178.7-156.59.2000112.9F328 T334F328-N332 WeakPolarHBondContact O-CB 3.35Å; N332-T334 PolarHBondContact O-N 3.17Å
333E59.5Low75.1Confident179 Ų17980.7 Ų80.784%0.83641%0.412SS*.SBendtrans-80.2118.6-176.1-63.7-170.8174.700110.1V335E333-V335 PolarHBondContact O-N 3.23Å
334T51.6Low75.5Confident106 Ų10676 Ų7665%0.6539%0.39SS*.  trans-65.699-168.543.40000112.5N332 K337N332-T334 PolarHBondContact O-N 3.17Å; T334-K337 HydrophobicContact CG2-CG 4.44Å
335V51.1Low75.9Confident85 Ų8570.5 Ų70.552%0.51536%0.364SS..  trans-57.4140.8143.8-1750000107.1V307 E333 K337V307-V335 HydrophobicContact CB-CG1 4.38Å; V307-V335 HydrophobicContact CG2-CG1 4.19Å; E333-V335 PolarHBondContact O-N 3.23Å; V335-K337 PolarHBondContact O-N 2.95Å
336K57.3Low76.4Confident180 Ų18068.7 Ų68.778%0.78336%0.356SS*.  trans-39.4110.2-175-175.3179.3-179.4-178.50111.9T338K336-T338 PolarHBondContact O-N 2.92Å; K336-T338 VanDerWaalsContact O-N 3.17Å
337K65.5Low77Confident110 Ų11068 Ų6848%0.47835%0.351SS..  trans-60.6118.2175.9-65.8-178.1-178.2-179.70109.1T304 T334 V335T304-K337 HydrophobicContact CG2-CD 4.43Å; T334-K337 HydrophobicContact CG2-CG 4.44Å; V335-K337 PolarHBondContact O-N 2.95Å
338T69.3Low77.9Confident75 Ų7568 Ų6846%0.4635%0.351SS..EExtended strand (participates in β ladder)trans-106.4143.7170.550.40000109.3T304 T305 K336T304-T338 WeakPolarHBondContact CA-O 3.42Å; T305-T338 PolarHBondContact N-O 3.44Å; K336-T338 PolarHBondContact O-N 2.92Å; K336-T338 VanDerWaalsContact O-N 3.17Å
339M73.7Confident78.9Confident127 Ų12766.5 Ų66.563%0.62635%0.345SS*.EExtended strand (participates in β ladder)trans-78.2125175.4-170.7177.1-63.800108.7S303S303-M339 WeakPolarHBondContact O-CA 3.22Å
340S72.8Confident79.6Confident63 Ų6363.8 Ų63.844%0.44133%0.333SS..EExtended strand (participates in β ladder)trans-117.98.7-171.3-1680000114.3S303 T305S303-S340 PolarHBondContact O-N 3.47Å; T305-S340 VanDerWaalsContact OG1-CB 3.25Å; T305-S340 WeakPolarHBondContact OG1-CB 3.42Å
341G85.9Confident80.3Confident36 Ų3661.3 Ų61.337%0.37132%0.323SS..EExtended strand (participates in β ladder)trans125.2-156.1-179.700000112.2S303S303-G341 PolarHBondContact N-O 3.3Å
342T91.8Very high81Confident45 Ų4560.2 Ų60.228%0.27632%0.322SS..EExtended strand (participates in β ladder)trans-135.5157.9178.565.10000112.2Q300 L301 Q302 H357 L370Q300-T342 PolarHBondContact OE1-OG1 2.91Å; L301-T342 CarbonylContact O-C 3.59Å; L301-T342 WeakPolarHBondContact O-CA 3.47Å; L301-T342 VanDerWaalsContact O-CB 3.26Å; L301-T342 WeakPolarHBondContact O-CB 3.2Å; Q302-T342 HydrophobicContact CG-CG2 4.39Å; T342-H357 PolarHBondContact O-ND1 3.44Å; T342-L370 HydrophobicContact CG2-CD1 4.43Å
343K94.7Very high82.1Confident6 Ų655.6 Ų55.63%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-130.5139.7174.9-69.9-72.9171.2124.20110.8I270 D271 E274 L301 V378I270-K343 HydrophobicContact CG2-CB 4.09Å; I270-K343 HydrophobicContact CG2-CG 4.33Å; D271-K343 IonicContact OD1-NZ 2.7Å; D271-K343 PolarHBondContact OD1-NZ 3.4Å; D271-K343 IonicContact OD2-NZ 2.76Å; D271-K343 PolarHBondContact OD2-NZ 3.45Å; E274-K343 VanDerWaalsContact CD-CE 3.48Å; E274-K343 WeakPolarHBondContact OE1-CE 3.28Å; E274-K343 IonicContact OE1-NZ 3.19Å; E274-K343 PolarHBondContact OE1-NZ 3.35Å; E274-K343 VanDerWaalsContact OE1-NZ 3.1Å; E274-K343 WeakPolarHBondContact OE2-CD 3.31Å; E274-K343 WeakPolarHBondContact OE2-CE 3.28Å; E274-K343 IonicContact OE2-NZ 2.93Å; E274-K343 PolarHBondContact OE2-NZ 2.87Å; L301-K343 PolarHBondContact N-O 2.9Å; L301-K343 PolarHBondContact O-N 3.22Å; K343-V378 HydrophobicContact CB-CG2 3.94Å; K343-V378 HydrophobicContact CG-CG1 4.49Å; K343-V378 HydrophobicContact CG-CG2 4.36Å
344P97.3Very high83.6Confident0 Ų047.5 Ų47.50%026%0.259CS..EExtended strand (participates in β ladder)trans-91.6144.3-175.133.4-29.8000112.7F269 E298 V299 I346 M354 H357F269-P344 HydrophobicContact CB-CG 4.07Å; F269-P344 PolarHBondContact N-O 3.45Å; E298-P344 HydrophobicContact CG-CB 4.43Å; V299-P344 CarbonylContact O-C 3.53Å; V299-P344 WeakPolarHBondContact O-CA 3.45Å; P344-I346 HydrophobicContact CB-CG2 4.09Å; P344-M354 HydrophobicContact CG-CE 4.06Å; P344-H357 WeakPolarHBondContact CD-O 3.14Å
345I98.4Very high85.3Confident1 Ų144.4 Ų44.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-115.2122.4157.5-54.8-177.2000107.2L176 W266 T267 A268 L276 M284 L288 E298 V299 L301L176-I345 HydrophobicContact CD1-CG2 4.27Å; W266-I345 HydrophobicContact CB-CG2 3.85Å; W266-I345 HydrophobicContact CD2-CG2 4.41Å; W266-I345 HydrophobicContact CE3-CG2 3.98Å; W266-I345 HydrophobicContact CG-CG2 4.43Å; T267-I345 CarbonylContact O-C 3.42Å; T267-I345 WeakPolarHBondContact O-CA 3.36Å; A268-I345 HydrophobicContact CB-CD1 4.35Å; A268-I345 HydrophobicContact CB-CG1 3.86Å; L276-I345 HydrophobicContact CD2-CD1 4.15Å; M284-I345 HydrophobicContact CG-CD1 4.04Å; M284-I345 HydrophobicContact SD-CD1 3.94Å; L288-I345 HydrophobicContact CD1-CD1 4.29Å; L288-I345 HydrophobicContact CD1-CG2 4.08Å; L288-I345 HydrophobicContact CD2-CD1 4.36Å; L288-I345 HydrophobicContact CD2-CG2 4.16Å; E298-I345 CarbonylContact C-O 3.59Å; V299-I345 HydrophobicContact CB-CB 4.3Å; V299-I345 PolarHBondContact N-O 2.9Å; V299-I345 PolarHBondContact O-N 3.22Å; L301-I345 HydrophobicContact CD1-CD1 3.6Å; L301-I345 HydrophobicContact CD1-CG1 4.03Å; L301-I345 HydrophobicContact CG-CD1 4.38Å
346I98.3Very high87Confident0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-120.8157.7-17270173.8000113W266 T267 F269 G297 E298 P344 I351 M354W266-I346 CarbonylContact C-O 3.55Å; W266-I346 WeakPolarHBondContact CA-O 3.35Å; T267-I346 PolarHBondContact N-O 3.08Å; T267-I346 PolarHBondContact O-N 3.25Å; F269-I346 HydrophobicContact CD2-CD1 4.29Å; F269-I346 HydrophobicContact CD2-CG1 4.31Å; F269-I346 HydrophobicContact CE2-CD1 3.45Å; F269-I346 VanDerWaalsContact CE2-CD1 3.45Å; F269-I346 HydrophobicContact CE2-CG1 3.74Å; F269-I346 HydrophobicContact CZ-CD1 4.05Å; G297-I346 CarbonylContact O-C 3.54Å; G297-I346 WeakPolarHBondContact O-CA 3.02Å; E298-I346 HydrophobicContact CB-CG2 4.41Å; E298-I346 HydrophobicContact CG-CG2 4.23Å; P344-I346 HydrophobicContact CB-CG2 4.09Å; I346-I351 HydrophobicContact CB-CG1 3.96Å; I346-I351 HydrophobicContact CD1-CG1 4.18Å; I346-I351 HydrophobicContact CG2-CG1 4.26Å; I346-M354 HydrophobicContact CD1-CE 3.93Å; I346-M354 HydrophobicContact CD1-CG 3.98Å; I346-M354 HydrophobicContact CD1-SD 3.58Å; I346-M354 VanDerWaalsContact CD1-SD 3.58Å; I346-M354 HydrophobicContact CG2-CE 4.11Å; I346-M354 HydrophobicContact CG2-SD 3.97Å
347K97.7Very high88.5Confident20 Ų2037.8 Ų37.89%0.08721%0.209CC..  trans-94.9101.1157-60.5-169.7172.2151.60108.1K265 W266 V296 G297 E349 K350K265-K347 WeakPolarHBondContact O-CG 3.32Å; W266-K347 HydrophobicContact CD2-CG 4.05Å; W266-K347 HydrophobicContact CE3-CG 3.62Å; W266-K347 HydrophobicContact CH2-CD 4.26Å; W266-K347 VanDerWaalsContact CH2-CE 3.45Å; W266-K347 HydrophobicContact CH2-CG 4.06Å; W266-K347 HydrophobicContact CZ2-CD 4.44Å; W266-K347 HydrophobicContact CZ2-CG 4.44Å; W266-K347 HydrophobicContact CZ3-CD 4.31Å; W266-K347 HydrophobicContact CZ3-CG 3.61Å; V296-K347 PolarHBondContact O-NZ 3.05Å; G297-K347 PolarHBondContact O-N 3.08Å; K347-E349 WeakPolarHBondContact CB-OE1 3.43Å; K347-E349 WeakPolarHBondContact CB-OE2 3.46Å; K347-E349 PolarHBondContact O-N 3.3Å; K347-E349 VanDerWaalsContact O-N 3.13Å; K347-K350 HydrophobicContact CB-CB 4.38Å; K347-K350 HydrophobicContact CB-CD 4.2Å; K347-K350 HydrophobicContact CB-CG 4.29Å; K347-K350 HydrophobicContact CD-CD 4.09Å; K347-K350 WeakPolarHBondContact O-CB 3.25Å; K347-K350 PolarHBondContact O-N 3.38Å
348S95.9Very high89.8Confident2 Ų237.6 Ų37.61%0.01421%0.21CC..G310 helixtrans-55.8-34.9-167.8-66.20000113.2H257 S260 K350 I351H257-S348 PolarHBondContact NE2-O 3.35Å; H257-S348 WeakPolarHBondContact O-CB 3.33Å; H257-S348 PolarHBondContact O-OG 2.85Å; S260-S348 PolarHBondContact OG-OG 3.13Å; S348-K350 PolarHBondContact O-N 2.68Å; S348-I351 PolarHBondContact O-N 3.49Å
349E93.1Very high91Very high61 Ų6134.2 Ų34.229%0.28519%0.19SC..G310 helixtrans-66.6-17178.881.4-66.9168.200113.9Y262 K347Y262-E349 HydrophobicContact CE1-CB 4.28Å; Y262-E349 HydrophobicContact CE2-CB 4.06Å; K347-E349 WeakPolarHBondContact CB-OE1 3.43Å; K347-E349 WeakPolarHBondContact CB-OE2 3.46Å; K347-E349 PolarHBondContact O-N 3.3Å; K347-E349 VanDerWaalsContact O-N 3.13Å
350K94.9Very high91.8Very high46 Ų4631.7 Ų31.720%0.218%0.184CC..G310 helixtrans-96.9-10.5178.4-66.6-173.8-176.3179.40113.9S294 K347 S348 Y363 V366S294-K350 PolarHBondContact O-NZ 3.45Å; K347-K350 HydrophobicContact CB-CB 4.38Å; K347-K350 HydrophobicContact CB-CD 4.2Å; K347-K350 HydrophobicContact CB-CG 4.29Å; K347-K350 HydrophobicContact CD-CD 4.09Å; K347-K350 WeakPolarHBondContact O-CB 3.25Å; K347-K350 PolarHBondContact O-N 3.38Å; S348-K350 PolarHBondContact O-N 2.68Å; K350-Y363 WeakPolarHBondContact O-CD2 3.28Å; K350-Y363 PolarHBondContact O-N 2.76Å; K350-V366 HydrophobicContact CB-CG1 4Å; K350-V366 HydrophobicContact CB-CG2 3.94Å; K350-V366 HydrophobicContact CD-CG2 4.38Å; K350-V366 HydrophobicContact CG-CG2 4.36Å
351I94.7Very high92.7Very high4 Ų429.2 Ų29.22%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-103.4133.6-176.1-53.5-51.3000109.4H257 E298 I346 S348 M354 A359 K362H257-I351 PolarHBondContact CE1-O 2.78Å; H257-I351 PolarHBondContact NE2-O 2.77Å; E298-I351 HydrophobicContact CB-CD1 4.48Å; I346-I351 HydrophobicContact CB-CG1 3.96Å; I346-I351 HydrophobicContact CD1-CG1 4.18Å; I346-I351 HydrophobicContact CG2-CG1 4.26Å; S348-I351 PolarHBondContact O-N 3.49Å; I351-M354 HydrophobicContact CG2-CG 3.92Å; I351-M354 HydrophobicContact CG2-SD 3.75Å; I351-A359 HydrophobicContact CD1-CB 3.78Å; I351-A359 HydrophobicContact CG1-CB 4.23Å; I351-A359 HydrophobicContact CG2-CB 3.67Å; I351-K362 HydrophobicContact CD1-CB 4.46Å; I351-K362 HydrophobicContact CD1-CD 4.34Å; I351-K362 HydrophobicContact CD1-CG 3.98Å
352G90.6Very high93.1Very high11 Ų1129.8 Ų29.811%0.11316%0.16CC..EExtended strand (participates in β ladder)trans-94.7-36.7177.100000113.1A361G352-A361 PolarHBondContact N-O 2.93Å
353L90.3Very high93.1Very high11 Ų1129.1 Ų29.16%0.05815%0.153CC..EExtended strand (participates in β ladder)trans-141.5128.1-178.6-61.7171.1000110.4W67 Y71 F131 P132 A359 S360 A361W67-L353 HydrophobicContact CB-CD1 4.06Å; W67-L353 HydrophobicContact CD2-CD1 4.47Å; W67-L353 HydrophobicContact CG-CD1 4.25Å; Y71-L353 HydrophobicContact CD2-CD1 4.37Å; F131-L353 HydrophobicContact CD1-CD2 4.5Å; F131-L353 HydrophobicContact CE1-CD1 4.14Å; F131-L353 HydrophobicContact CE1-CD2 3.79Å; F131-L353 HydrophobicContact CE1-CG 4.33Å; F131-L353 HydrophobicContact CZ-CD1 3.78Å; F131-L353 HydrophobicContact CZ-CD2 3.89Å; F131-L353 HydrophobicContact CZ-CG 4.38Å; P132-L353 HydrophobicContact CB-CD2 3.44Å; P132-L353 VanDerWaalsContact CB-CD2 3.44Å; P132-L353 HydrophobicContact CG-CD2 3.76Å; L353-A359 CarbonylContact O-C 3.55Å; L353-S360 PolarHBondContact O-N 3.46Å; L353-A361 HydrophobicContact CB-CB 3.83Å; L353-A361 HydrophobicContact CD1-CB 3.69Å; L353-A361 HydrophobicContact CG-CB 3.92Å; L353-A361 PolarHBondContact N-O 3.43Å; L353-A361 VanDerWaalsContact N-O 3.12Å; L353-A361 PolarHBondContact O-N 3.34Å
354M90.8Very high92.9Very high8 Ų836.3 Ų36.34%0.03918%0.184CC..EExtended strand (participates in β ladder)trans-101.9143172.9-76.1-64.5-69.100111.8I253 Q254 H257 F269 P344 I346 I351 A359I253-M354 HydrophobicContact CG2-CB 3.39Å; I253-M354 HydrophobicContact CG2-CG 4.47Å; Q254-M354 PolarHBondContact NE2-O 2.88Å; H257-M354 HydrophobicContact CB-CG 4.11Å; F269-M354 HydrophobicContact CD1-CE 4.36Å; F269-M354 HydrophobicContact CD2-CE 3.91Å; F269-M354 HydrophobicContact CE1-CE 4.41Å; F269-M354 HydrophobicContact CE2-CE 4Å; F269-M354 HydrophobicContact CG-CE 4.11Å; F269-M354 HydrophobicContact CZ-CE 4.25Å; P344-M354 HydrophobicContact CG-CE 4.06Å; I346-M354 HydrophobicContact CD1-CE 3.93Å; I346-M354 HydrophobicContact CD1-CG 3.98Å; I346-M354 HydrophobicContact CD1-SD 3.58Å; I346-M354 VanDerWaalsContact CD1-SD 3.58Å; I346-M354 HydrophobicContact CG2-CE 4.11Å; I346-M354 HydrophobicContact CG2-SD 3.97Å; I351-M354 HydrophobicContact CG2-CG 3.92Å; I351-M354 HydrophobicContact CG2-SD 3.75Å; M354-A359 HydrophobicContact SD-CB 3.96Å
355S88.1Confident92.7Very high42 Ų4238.9 Ų38.929%0.29421%0.21SC..  trans-116.6174.7162.1174.40000108.8H357 Q358 S360S355-H357 VanDerWaalsContact C-N 3.3Å; S355-H357 PolarHBondContact O-N 3.42Å; S355-Q358 WeakPolarHBondContact CA-O 3.48Å; S355-Q358 WeakPolarHBondContact CB-O 3.24Å; S355-Q358 PolarHBondContact N-O 3.27Å; S355-S360 WeakPolarHBondContact CB-OG 3.42Å
356I85.8Confident92.6Very high36 Ų3640.2 Ų40.219%0.18522%0.219CC..SBendtrans-56.8-41.5-172.9-58.6171.1000112.3I246 L250 I253I246-I356 HydrophobicContact CD1-CD1 3.64Å; L250-I356 HydrophobicContact CD2-CD1 4.43Å; L250-I356 HydrophobicContact CD2-CG1 4.29Å; I253-I356 HydrophobicContact CD1-CB 4Å; I253-I356 HydrophobicContact CD1-CG1 3.52Å; I253-I356 HydrophobicContact CD1-CG2 4.49Å
357H89.8Confident92.6Very high90 Ų9045.3 Ų45.342%0.41724%0.241SC..SBendtrans-112.6-5.5-174-61.3-69.1000114.2Q300 T342 P344 S355Q300-H357 PolarHBondContact NE2-O 3.25Å; Q300-H357 PolarHBondContact OE1-O 3.01Å; T342-H357 PolarHBondContact O-ND1 3.44Å; P344-H357 WeakPolarHBondContact CD-O 3.14Å; S355-H357 VanDerWaalsContact C-N 3.3Å; S355-H357 PolarHBondContact O-N 3.42Å
358Q92.3Very high92.6Very high105 Ų10547.5 Ų47.549%0.49126%0.256SS..SBendtrans-164.7161-175.762-177.8-6.500113.5E298 Q300 S355 S360E298-Q358 VanDerWaalsContact OE1-CA 3.31Å; E298-Q358 WeakPolarHBondContact OE1-CA 3.41Å; Q300-Q358 VanDerWaalsContact NE2-CB 3.3Å; S355-Q358 WeakPolarHBondContact CA-O 3.48Å; S355-Q358 WeakPolarHBondContact CB-O 3.24Å; S355-Q358 PolarHBondContact N-O 3.27Å; Q358-S360 PolarHBondContact O-N 2.83Å
359A93.6Very high92.7Very high5 Ų550.2 Ų50.24%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-71.8105.8165.800000110.7E298 I351 L353 M354 A361 K362E298-A359 PolarHBondContact OE1-N 2.95Å; I351-A359 HydrophobicContact CD1-CB 3.78Å; I351-A359 HydrophobicContact CG1-CB 4.23Å; I351-A359 HydrophobicContact CG2-CB 3.67Å; L353-A359 CarbonylContact O-C 3.55Å; M354-A359 HydrophobicContact SD-CB 3.96Å; A359-A361 VanDerWaalsContact C-N 3.34Å; A359-K362 HydrophobicContact CB-CG 4.13Å; A359-K362 PolarHBondContact O-NZ 2.94Å; A359-K362 VanDerWaalsContact O-NZ 3.16Å
360S90.7Very high92.8Very high73 Ų7352.2 Ų52.251%0.5128%0.282SS..EExtended strand (participates in β ladder)trans-67.1-31.7177.3-65.20000113.3L353 S355 Q358L353-S360 PolarHBondContact O-N 3.46Å; S355-S360 WeakPolarHBondContact CB-OG 3.42Å; Q358-S360 PolarHBondContact O-N 2.83Å
361A91.8Very high92.7Very high11 Ų1150.8 Ų50.89%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-144.9140.3174.700000112.1W67 G352 L353 A359W67-A361 HydrophobicContact CD2-CB 3.85Å; W67-A361 HydrophobicContact CE3-CB 4.42Å; W67-A361 HydrophobicContact CG-CB 4.18Å; W67-A361 HydrophobicContact CH2-CB 4.46Å; W67-A361 HydrophobicContact CZ2-CB 3.87Å; G352-A361 PolarHBondContact N-O 2.93Å; L353-A361 HydrophobicContact CB-CB 3.83Å; L353-A361 HydrophobicContact CD1-CB 3.69Å; L353-A361 HydrophobicContact CG-CB 3.92Å; L353-A361 PolarHBondContact N-O 3.43Å; L353-A361 VanDerWaalsContact N-O 3.12Å; L353-A361 PolarHBondContact O-N 3.34Å; A359-A361 VanDerWaalsContact C-N 3.34Å
362K93.6Very high92.5Very high48 Ų4855 Ų5521%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-130.1146-173.9-48.6-177.2166.975.70109.5W67 E298 I351 A359 V366 T368W67-K362 VanDerWaalsContact CZ2-O 3.27Å; W67-K362 WeakPolarHBondContact CZ2-O 3.4Å; E298-K362 WeakPolarHBondContact OE2-CE 3.19Å; E298-K362 IonicContact OE2-NZ 2.69Å; E298-K362 PolarHBondContact OE2-NZ 3.35Å; I351-K362 HydrophobicContact CD1-CB 4.46Å; I351-K362 HydrophobicContact CD1-CD 4.34Å; I351-K362 HydrophobicContact CD1-CG 3.98Å; A359-K362 HydrophobicContact CB-CG 4.13Å; A359-K362 PolarHBondContact O-NZ 2.94Å; A359-K362 VanDerWaalsContact O-NZ 3.16Å; K362-V366 HydrophobicContact CB-CB 3.94Å; K362-V366 HydrophobicContact CB-CG1 4.1Å; K362-V366 HydrophobicContact CD-CG1 4.11Å; K362-T368 WeakPolarHBondContact CE-OG1 2.94Å; K362-T368 PolarHBondContact NZ-OG1 3.01Å
363Y92.8Very high92.4Very high32 Ų3256.8 Ų56.813%0.12531%0.306CS..  trans-61159.4175.1-68.9-66.6000111.8N60 K64 W67 K350 G365 V366N60-Y363 HydrophobicContact CB-CD1 3.89Å; N60-Y363 HydrophobicContact CB-CE1 3.75Å; K64-Y363 WeakPolarHBondContact CE-OH 3.38Å; K64-Y363 HydrophobicContact CG-CE1 4.48Å; K64-Y363 PolarHBondContact NZ-OH 3.26Å; W67-Y363 AromaticContact CH2-CD1 3.75Å; W67-Y363 HydrophobicContact CH2-CD1 3.75Å; W67-Y363 AromaticContact CH2-CE1 3.86Å; W67-Y363 HydrophobicContact CH2-CE1 3.86Å; W67-Y363 HydrophobicContact CH2-CG 4.32Å; W67-Y363 HydrophobicContact CZ3-CD1 4.34Å; W67-Y363 AromaticContact CZ3-CE1 3.98Å; W67-Y363 HydrophobicContact CZ3-CE1 3.98Å; K350-Y363 WeakPolarHBondContact O-CD2 3.28Å; K350-Y363 PolarHBondContact O-N 2.76Å; Y363-G365 PolarHBondContact O-N 3.21Å; Y363-V366 WeakPolarHBondContact O-CB 3.5Å; Y363-V366 VanDerWaalsContact O-CG2 3.32Å; Y363-V366 WeakPolarHBondContact O-CG2 3.36Å; Y363-V366 PolarHBondContact O-N 2.82Å; Y363-V366 VanDerWaalsContact O-N 3.09Å
364F91.4Very high92.2Very high157 Ų15760.8 Ų60.869%0.68933%0.331SS*.THydrogen-bonded Turntrans-53.8131.3-175.9-174.8-92.9000111.9L59 V366L59-F364 HydrophobicContact CD1-CD1 4.19Å; F364-V366 VanDerWaalsContact C-N 3.3Å; F364-V366 PolarHBondContact O-N 3.07Å
365G92.6Very high92.3Very high53 Ų5363.4 Ų63.455%0.54635%0.347SS..THydrogen-bonded Turntrans83.4-6.8179.600000115.5S295 Y363S295-G365 WeakPolarHBondContact CB-O 3.16Å; Y363-G365 PolarHBondContact O-N 3.21Å
366V96.6Very high92.5Very high29 Ų2961.4 Ų61.418%0.17633%0.333CS..  trans-78.7133.1179-179.30000111S295 K350 K362 Y363 F364S295-V366 CarbonylContact O-C 3.57Å; S295-V366 WeakPolarHBondContact O-CA 2.97Å; K350-V366 HydrophobicContact CB-CG1 4Å; K350-V366 HydrophobicContact CB-CG2 3.94Å; K350-V366 HydrophobicContact CD-CG2 4.38Å; K350-V366 HydrophobicContact CG-CG2 4.36Å; K362-V366 HydrophobicContact CB-CB 3.94Å; K362-V366 HydrophobicContact CB-CG1 4.1Å; K362-V366 HydrophobicContact CD-CG1 4.11Å; Y363-V366 WeakPolarHBondContact O-CB 3.5Å; Y363-V366 VanDerWaalsContact O-CG2 3.32Å; Y363-V366 WeakPolarHBondContact O-CG2 3.36Å; Y363-V366 PolarHBondContact O-N 2.82Å; Y363-V366 VanDerWaalsContact O-N 3.09Å; F364-V366 VanDerWaalsContact C-N 3.3Å; F364-V366 PolarHBondContact O-N 3.07Å
367K97.1Very high92.7Very high108 Ų10859.9 Ų59.947%0.4733%0.325SS..EExtended strand (participates in β ladder)trans-110.1156.1-177.2-58.4-178.9-163.2155.40113D293 S295 G297 E298D293-K367 IonicContact OD2-NZ 2.68Å; D293-K367 PolarHBondContact OD2-NZ 2.81Å; S295-K367 PolarHBondContact O-N 3.05Å; S295-K367 WeakPolarHBondContact OG-CD 3.49Å; S295-K367 WeakPolarHBondContact OG-CE 3.1Å; S295-K367 PolarHBondContact OG-NZ 2.91Å; S295-K367 VanDerWaalsContact OG-NZ 3.15Å; G297-K367 PolarHBondContact N-O 2.92Å; G297-K367 VanDerWaalsContact N-O 3.12Å; E298-K367 PolarHBondContact N-O 3.01Å
368T97.7Very high92.8Very high65 Ų6555.6 Ų55.640%0.39931%0.305SS..EExtended strand (participates in β ladder)trans-97.5132.6164.5-55.60000109.8E298 Q300 K362E298-T368 HydrophobicContact CB-CG2 4.39Å; E298-T368 HydrophobicContact CG-CG2 4.07Å; E298-T368 CarbonylContact O-C 3.6Å; E298-T368 WeakPolarHBondContact O-CA 3.48Å; E298-T368 WeakPolarHBondContact OE2-CB 3.41Å; E298-T368 WeakPolarHBondContact OE2-CG2 3.31Å; E298-T368 PolarHBondContact OE2-OG1 3.47Å; Q300-T368 HydrophobicContact CB-CG2 4.33Å; Q300-T368 HydrophobicContact CG-CG2 3.66Å; K362-T368 WeakPolarHBondContact CE-OG1 2.94Å; K362-T368 PolarHBondContact NZ-OG1 3.01Å
369L97.5Very high92.6Very high60 Ų6053.7 Ų53.731%0.31429%0.294SS..EExtended strand (participates in β ladder)trans-106.5115.2168.5178.165.3000109.3I291 V296 E298 V299 Q300 L371I291-L369 HydrophobicContact CD1-CD2 3.73Å; I291-L369 HydrophobicContact CG1-CD2 3.94Å; I291-L369 HydrophobicContact CG2-CD2 4.29Å; V296-L369 HydrophobicContact CG1-CB 3.89Å; V296-L369 HydrophobicContact CG2-CB 4.37Å; E298-L369 PolarHBondContact O-N 3.5Å; V299-L369 CarbonylContact C-O 3.55Å; V299-L369 VanDerWaalsContact CA-O 3.31Å; V299-L369 WeakPolarHBondContact CA-O 3.4Å; Q300-L369 PolarHBondContact N-O 3.25Å; L369-L371 HydrophobicContact CD2-CD2 3.92Å; L369-L371 HydrophobicContact CG-CD2 4.29Å
370L96.1Very high92.1Very high102 Ų10254.2 Ų54.253%0.53430%0.296SS..EExtended strand (participates in β ladder)trans-82115.8168.1179.764.2000108.7Q300 Q302 T342Q300-L370 HydrophobicContact CB-CD1 3.82Å; Q302-L370 HydrophobicContact CG-CD1 4.3Å; T342-L370 HydrophobicContact CG2-CD1 4.43Å
371L93.5Very high91.5Very high17 Ų1751.4 Ų51.49%0.08927%0.274CS..  trans-77.9141.9176.5-75.6178.2000111V287 V299 Q300 L301 L369 I373 A376V287-L371 HydrophobicContact CG1-CD1 3.88Å; V287-L371 HydrophobicContact CG1-CD2 4.4Å; V299-L371 HydrophobicContact CG1-CD1 3.29Å; V299-L371 HydrophobicContact CG1-CG 3.54Å; Q300-L371 PolarHBondContact O-N 3.21Å; L301-L371 HydrophobicContact CD2-CB 4.15Å; L301-L371 HydrophobicContact CD2-CD1 3.6Å; L301-L371 HydrophobicContact CD2-CG 4.45Å; L369-L371 HydrophobicContact CD2-CD2 3.92Å; L369-L371 HydrophobicContact CG-CD2 4.29Å; L371-I373 PolarHBondContact O-N 3.44Å; L371-A376 HydrophobicContact CD1-CB 4.48Å
372N90.8Very high90.4Very high92 Ų9255.7 Ų55.749%0.49229%0.292SS..  trans-69132.8172.9-167.7-34.9000109.2T374 V375 A376N372-T374 VanDerWaalsContact CG-OG1 3.25Å; N372-T374 PolarHBondContact O-N 3.18Å; N372-T374 VanDerWaalsContact O-N 3.08Å; N372-T374 PolarHBondContact OD1-N 3.46Å; N372-T374 PolarHBondContact OD1-OG1 3.31Å; N372-T374 VanDerWaalsContact OD1-OG1 3.04Å; N372-V375 HydrophobicContact CB-CG2 4.31Å; N372-V375 WeakPolarHBondContact O-CB 3.15Å; N372-V375 PolarHBondContact O-N 3.27Å; N372-A376 PolarHBondContact O-N 3.31Å
373I87.3Confident88.8Confident49 Ų4956.4 Ų56.425%0.25130%0.298SS..THydrogen-bonded Turntrans-53.7-27.4175.8-166.6163.5000113.2N279 Q302 T304 L371 V375N279-I373 PolarHBondContact ND2-O 3.27Å; Q302-I373 HydrophobicContact CB-CB 4.44Å; Q302-I373 HydrophobicContact CB-CD1 4.35Å; T304-I373 HydrophobicContact CG2-CD1 3.5Å; T304-I373 VanDerWaalsContact CG2-CD1 3.5Å; T304-I373 HydrophobicContact CG2-CG1 4.27Å; L371-I373 PolarHBondContact O-N 3.44Å; I373-V375 VanDerWaalsContact C-N 3.25Å; I373-V375 PolarHBondContact O-N 3Å
374T87.4Confident86.8Confident95 Ų9558.2 Ų58.258%0.58331%0.312SS*.THydrogen-bonded Turntrans-72.5-17.6176.1610000113.5N279 N372N279-T374 WeakPolarHBondContact CB-O 3.38Å; N372-T374 VanDerWaalsContact CG-OG1 3.25Å; N372-T374 PolarHBondContact O-N 3.18Å; N372-T374 VanDerWaalsContact O-N 3.08Å; N372-T374 PolarHBondContact OD1-N 3.46Å; N372-T374 PolarHBondContact OD1-OG1 3.31Å; N372-T374 VanDerWaalsContact OD1-OG1 3.04Å
375V90.9Very high84.3Confident63 Ų6355 Ų5538%0.38232%0.315SS..THydrogen-bonded Turntrans-91.2-56.8175.5177.10000109.2N279 V287 N372 I373N279-V375 PolarHBondContact N-O 2.91Å; V287-V375 HydrophobicContact CG1-CG1 3.95Å; V287-V375 HydrophobicContact CG2-CG1 4.07Å; N372-V375 HydrophobicContact CB-CG2 4.31Å; N372-V375 WeakPolarHBondContact O-CB 3.15Å; N372-V375 PolarHBondContact O-N 3.27Å; I373-V375 VanDerWaalsContact C-N 3.25Å; I373-V375 PolarHBondContact O-N 3Å
376A92.4Very high81.3Confident0 Ų060.1 Ų60.10%033%0.328CS..EExtended strand (participates in β ladder)trans-153.7152.4-177.600000111.7S277 T278 M284 L301 L371 N372S277-A376 CarbonylContact O-C 3.53Å; S277-A376 VanDerWaalsContact O-CA 3.27Å; S277-A376 WeakPolarHBondContact O-CA 3.41Å; T278-A376 HydrophobicContact CG2-CB 4.36Å; M284-A376 HydrophobicContact CE-CB 3.68Å; M284-A376 HydrophobicContact SD-CB 4.22Å; L301-A376 HydrophobicContact CD2-CB 3.84Å; L371-A376 HydrophobicContact CD1-CB 4.48Å; N372-A376 PolarHBondContact O-N 3.31Å
377S91.7Very high78Confident3 Ų369.8 Ų69.82%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-150.9163.4-178.160.40000110.9S277 Q302S277-S377 PolarHBondContact N-O 2.86Å; S277-S377 PolarHBondContact O-N 2.83Å; S277-S377 VanDerWaalsContact O-O 3.1Å; Q302-S377 CarbonylContact O-C 3.54Å; Q302-S377 VanDerWaalsContact O-CA 3.28Å; Q302-S377 WeakPolarHBondContact O-CA 3.28Å; Q302-S377 VanDerWaalsContact O-CB 3.32Å; Q302-S377 WeakPolarHBondContact O-CB 2.85Å
378V90.8Very high77.1Confident0 Ų067.9 Ų67.90%037%0.373CS..EExtended strand (participates in β ladder)trans-94.8130.2162.7177.20000109.1I270 E274 R275 L276 L301 Q302 S303 T304 K343I270-V378 HydrophobicContact CG2-CG2 4.35Å; E274-V378 HydrophobicContact CB-CG1 3.54Å; E274-V378 HydrophobicContact CG-CG1 3.74Å; R275-V378 CarbonylContact O-C 3.49Å; R275-V378 WeakPolarHBondContact O-CA 3.19Å; L276-V378 HydrophobicContact CD2-CG2 4.19Å; L301-V378 HydrophobicContact CB-CG2 3.84Å; L301-V378 HydrophobicContact CD1-CG2 3.82Å; Q302-V378 PolarHBondContact O-N 3.14Å; S303-V378 CarbonylContact C-O 3.48Å; S303-V378 VanDerWaalsContact CA-O 3.23Å; S303-V378 WeakPolarHBondContact CA-O 3.15Å; T304-V378 PolarHBondContact N-O 3.46Å; T304-V378 PolarHBondContact OG1-O 2.82Å; K343-V378 HydrophobicContact CB-CG2 3.94Å; K343-V378 HydrophobicContact CG-CG1 4.49Å; K343-V378 HydrophobicContact CG-CG2 4.36Å
379R87.3Confident76Confident65 Ų6568 Ų6825%0.24537%0.371CS..EExtended strand (participates in β ladder)trans-96.1108.9172.7-62-178.2-174-1705.1108.8E274 R275 S277 T304 I306E274-R379 CarbonylContact C-O 3.52Å; E274-R379 WeakPolarHBondContact CA-O 3.46Å; R275-R379 HydrophobicContact CB-CB 4.41Å; R275-R379 PolarHBondContact N-O 2.68Å; R275-R379 PolarHBondContact O-N 2.9Å; S277-R379 VanDerWaalsContact OG-CZ 3.24Å; S277-R379 PolarHBondContact OG-NE 2.75Å; S277-R379 PolarHBondContact OG-NH2 2.82Å; T304-R379 WeakPolarHBondContact O-CA 3.29Å; I306-R379 HydrophobicContact CD1-CB 4Å; I306-R379 HydrophobicContact CD1-CG 4.41Å
380L83.9Confident74.8Confident17 Ų1768.4 Ų68.49%0.08938%0.375CS..EExtended strand (participates in β ladder)trans-88.4131.4176.2174.266.8000109.5D273 E274 T304 T305 I306D273-L380 VanDerWaalsContact OD2-CD1 3.25Å; D273-L380 WeakPolarHBondContact OD2-CD1 3.39Å; E274-L380 HydrophobicContact CG-CB 4.31Å; E274-L380 HydrophobicContact CG-CD1 3.63Å; T304-L380 PolarHBondContact O-N 3.36Å; T305-L380 CarbonylContact C-O 3.57Å; T305-L380 WeakPolarHBondContact CA-O 3.22Å; I306-L380 PolarHBondContact N-O 2.65Å
381R78.1Confident73.5Confident13 Ų1366.5 Ų66.55%0.04937%0.365CS..EExtended strand (participates in β ladder)trans-114.595.3-177.8-71.6152.3161-1676.3111.3D195 D273 I306 I327D195-R381 IonicContact OD1-NH1 3.1Å; D195-R381 IonicContact OD2-CZ 2.95Å; D195-R381 IonicContact OD2-NH1 2.72Å; D195-R381 PolarHBondContact OD2-NH1 3.15Å; D273-R381 PolarHBondContact O-N 2.87Å; I306-R381 HydrophobicContact CB-CG 4.16Å; I306-R381 HydrophobicContact CD1-CG 4.39Å; I306-R381 CarbonylContact O-C 3.53Å; I306-R381 WeakPolarHBondContact O-CA 3.45Å; I327-R381 HydrophobicContact CG2-CG 4.26Å; I327-R381 VanDerWaalsContact CG2-NE 3.31Å
382Q68.5Low72.3Confident102 Ų10269.6 Ų69.648%0.47738%0.383SS..EExtended strand (participates in β ladder)trans-109.5139.1-170.3-166.8174.71000112.6T305 I306 V307 K308T305-Q382 HydrophobicContact CG2-CB 4.06Å; I306-Q382 PolarHBondContact O-N 3.49Å; V307-Q382 WeakPolarHBondContact CA-O 2.99Å; K308-Q382 VanDerWaalsContact CG-O 3.27Å; K308-Q382 WeakPolarHBondContact CG-O 3.47Å; K308-Q382 PolarHBondContact N-O 2.84Å
383L60Low71.1Confident63 Ų6368.1 Ų68.133%0.3338%0.375SS..EExtended strand (participates in β ladder)trans-63.2131.5170.3-93.1149.8000109.9K308 A385K308-L383 HydrophobicContact CD-CD1 4.46Å; K308-L383 HydrophobicContact CD-CD2 4.46Å; K308-L383 HydrophobicContact CD-CG 3.79Å; K308-L383 HydrophobicContact CG-CB 4.37Å; K308-L383 HydrophobicContact CG-CD2 4.49Å; K308-L383 HydrophobicContact CG-CG 3.98Å; K308-L383 VanDerWaalsContact NZ-CG 3.33Å; K308-L383 WeakPolarHBondContact O-CA 3.44Å; L383-A385 PolarHBondContact O-N 3.31Å; L383-A385 VanDerWaalsContact O-N 3.08Å
384T50.9Low69.9Low69 Ų6969.4 Ų69.442%0.42338%0.384SS..  trans-59.6112.8157.720.80000108.1V307 K308 I386V307-T384 HydrophobicContact CG1-CG2 3.3Å; K308-T384 PolarHBondContact O-N 3.13Å; K308-T384 PolarHBondContact O-OG1 3.35Å; K308-T384 VanDerWaalsContact O-OG1 3.12Å; T384-I386 VanDerWaalsContact C-N 3.33Å; T384-I386 PolarHBondContact O-N 3.03Å
385A39.4Very low68.6Low90 Ų9067.5 Ų67.574%0.74437%0.369SS*.  trans-60.7105.8152.500000105.8L383 L387L383-A385 PolarHBondContact O-N 3.31Å; L383-A385 VanDerWaalsContact O-N 3.08Å; A385-L387 PolarHBondContact O-N 3.41Å
386I29.3Very low66.7Low160 Ų16067.8 Ų67.882%0.82137%0.368SS*.  trans-60.6109.1165.8-59.3174.9000104.7T384T384-I386 VanDerWaalsContact C-N 3.33Å; T384-I386 PolarHBondContact O-N 3.03Å
387L27.9Very low64.4Low232 Ų23274 Ų74100%1.21540%0.401SS*.  trans-620173.3-87.8164.8000111.1A385A385-L387 PolarHBondContact O-N 3.41Å

Retrieved 387 of 387 residues in 119.2 ms (Link to these results)

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